Blame for data/uncertainty/test.csv

smiles,gap
O=C1NC2C3CCC12O3,0.2433
ON=C1C=C2CC3C2C13,0.1439
CCCN=C1CCO1,0.2778
NC12C(O)CC1OC2=N,0.2586
CNC(=[NH2+])OCC([O-])=O,0.1391
CC1CC(OC1=N)C=O,0.2143
CC1CCC(=O)NC=C1,0.2147
COCC(O)C(F)(F)F,0.3316
c1cn(c(n1)CN)C=O,0.1941
C#CC1CC2C(C#N)N12,0.2563
CC1CCC(CO)C1,0.3411
CC#CC1CC2C(C)C12,0.2913
OC1CC1CCCC=O,0.2285
CC1C2C(C)=CCC12C,0.2449
CC1C2OCC=CC12O,0.2307
OC1CC=CC2(O)CC12,0.2447
OCC(O)C1=CNN=N1,0.234
CC12CC=CC(O)C1O2,0.2663
O=C1OC2C(CC#N)C12,0.2739
C1OC1C1CCC2CC12,0.3421
NC1=CC=C(F)C(=N)O1,0.1616
O=CC1=CC(OC1)C#C,0.1897
OC(CC#N)C#CC#N,0.2389
N=CN1C=NCC1=O,0.2266
CC1(CCC2CC2)CO1,0.3473
CC(O)C#CC(C)CO,0.2899
COCC(O)C(C)CO,0.3324
CC12CCC(C1)C(O)C2,0.3337
CC(O)C1CC(=N)O1,0.2903
COCC12CC1CCO2,0.313
CC12C3N1C1CC=C3C21,0.1614
c1nc(=O)c(no1)N,0.1904
N=COCC1CCOC1,0.2787
CCC1CC2(OC12)C=O,0.2204
OC1CC2(O)C1NC2=N,0.2583
c1c(ncoc1=O)N,0.1893
CC12CCN3C(CO1)C23,0.3173
CC1=C(O)C(=N)C=NN1,0.1649
c1c2c([nH]cn2)n[nH]1,0.2125
CC(C)C(=O)CCCO,0.2314
CC1C(O)CC(=O)N1C,0.2665
CC12OC3C4C(CC14)C23,0.3183
CC12CC(O)C3C1OC23,0.2984
CC12COCC1NC2=O,0.2753
CC(=O)C(=N)NCC#N,0.1983
c1nc2ncnn2nn1,0.1649
N=C1NC(=CCO1)C#N,0.1818
CCC12OC3C1OC23C,0.3004
C#CC12CC3C(CC13)C2,0.2954
c1c2c(cno2)[nH]c1N,0.1931
CC#CC#CC1CC1O,0.2135
CN1C2CCC12C=O,0.2183
OCC1CCCC=CC1,0.2572
CC1CC2(O)CCC12O,0.3097
OC1CC(O)C1,0.3216
ON=C1CC2C(C#C)C12,0.2409
N#CCC12CN3CC1C23,0.2666
COCC1OC(C)C1O,0.2989
CC1OC11CC(O)C=C1,0.2434
CC1N=COC2CC12,0.2704
ON=C1CN2C(C=O)C12,0.1916
O=C1C2(CC2)CC11CN1,0.2111
COC=Nc1cnco1,0.182
Cc1c(nc[nH]1)O,0.224
C#CC12CC(N1)C21CN1,0.2601
CC(C)n1ccnc1O,0.2516
C1CC(O1)C1=CNC=C1,0.2472
O=C1C2CC1C(C2)C#N,0.2286
CC1CNC2=C1NN=N2,0.201
C1C2C3C4C=CC(C14)N23,0.2414
CC(=O)N1N=CNC1=N,0.1993
c1cnnc(n1)F,0.1673
N=C1OC=NC(=N)N=C1,0.1837
C1C(=CC(=O)C1=O)C=O,0.1183
CC1OC2CC(O)C2=C1,0.2336
OC1CCC(O)C1C#N,0.2884
COC1C(CC1=O)C#C,0.199
OC1C2C3CC4C3C1N24,0.2883
COCCNC(=N)C#N,0.2112
OC12CC3CCOC1C23,0.2987
CCC1OC1(C)C1CO1,0.3317
OCC1C2CC2C1C=O,0.2223
CC1C2CCC2OC1=O,0.2771
COCCn1ncnn1,0.2472
O=C1OCC2C3CC12N3,0.2443
CCC#CC1CC1C#C,0.2639
CNc1c(con1)CO,0.2326
CCCC(=O)C(=O)C,0.1577
N=C1OC=CC(=N)N=C1,0.1653
CC1C(=O)C2(O)CC12C,0.2197
OC1C2OC2C1CC#C,0.3088
CN(CCCC#C)C=O,0.2707
Cc1coc(c1C#N)N,0.2075
CCC(C)C(C)(O)C#C,0.3
CC1(C)CC11OCC1O,0.2825
O=C1CC2C3COC1C23,0.2101
N=C1OCOCC11CN1,0.2543
c1c(c(=O)[nH]nn1)CO,0.1827
CN(C)C1(COC1)C#N,0.2629
CC1(CN(C=C1)C=O)C,0.2089
CCC12OC(C=C1)C=C2,0.2006
c1c2c(ocn2)oc1N,0.2152
N=C1CN=CN1C=O,0.2174
OCC1C2C1C1CC2C1,0.3245
CC1(CC#C)CNC1=O,0.2751
CC1OC(C)C1C#N,0.2851
c1cncc(c1O)O,0.2225
C(CO)COCCC=O,0.2284
OC1C(O)C1C(=O)C=O,0.1554
NC(C#N)C1(O)CC1,0.2966
OCCCC1COC=N1,0.2699
CC1C2CC3(CC3)CC12,0.3347
CC1(C)OC2CC12CO,0.3
Cc1c(nc([nH]1)O)C=O,0.1894
Cc1ccncc1OC,0.2124
COC1C2C1C1CCC21,0.3124
FC1=NC=C(F)C(=N)O1,0.1859
CN1CC1C1CCO1,0.2953
COC1COC1(C)C=O,0.2121
CC(CC1CCC1)C#N,0.3379
Cc1cc([nH]c1O)C#C,0.1897
ON=C1C2CC1C2C#C,0.2697
CC(CCO)C(C)(C)O,0.3276
CC12C3COC(C13)C2O,0.3356
OC1C2CC(C=O)C12,0.2149
C1CC2(O1)C1C3OC1C23,0.3032
c1cnnc(n1)N,0.1667
CC1(C)C2CNC(=O)C12,0.2671
COC(=O)C(O)C(C)=O,0.2237
C1CC(=CCOC1)C=O,0.1942
CC1CCN(C=O)C1C,0.2656
CN1CC1(CN)C#N,0.2702
CCCC(CC)C(C)=O,0.2301
OC12CC1C1(OC21)C#N,0.2446
NC12CC(OC1=O)C2O,0.2442
COC1CC2CC1C=C2,0.2524
CC(C1CO1)C1CCC1,0.3455
NC(=O)C(O)C#CC=O,0.2016
CC1OC2CN(C)C12C,0.2787
OCC1(CO1)C1CCO1,0.3188
ON=C1CN2C(C#C)C12,0.2263
CCN1C=CC(=O)C1=N,0.145
C(CNCC#N)C(=O)N,0.2697
CC(=O)C(=N[O-])C(N)=[NH2+],0.1454
CC(O)C(=N)OCC#C,0.2644
OC1(COC1=N)C#N,0.2678
CC1=C(OC=C1)C1CN1,0.2186
C#CC1CN1C1COC1,0.2641
O=C1OCC(C#C)C1=O,0.1673
CC1OC(=O)C1C1CC1,0.2745
CC(CC#C)N1CC1,0.2873
COC1OCC2NC12,0.3145
CC1C2NC1(C=C2)C#N,0.2228
CC1CC2OC(=O)C2N1,0.2339
CC1NC1(C#C)C1CC1,0.2829
CC(C)(O)C1NC1CO,0.3112
CC(OC1CCC1)C#N,0.2939
CCC1C2C3C2C(=O)N13,0.244
COCCC1(CC1)C=O,0.2291
N=C1NCC=CC(=O)N1,0.1825
OCC12CCCC1N2,0.3138
CC(OCC#N)C(N)=O,0.2524
CC1=CCCC11CN1,0.2417
O=C1NCC2CN2C=C1,0.2048
CC1C2CC1(O)C21CN1,0.3094
CC1CCC2(CC2)CO1,0.3285
OC12C3C4C3N(C14)C2=N,0.2377
CC1C2C3N4CCC13C24,0.2957
N#CC1C2C=CC1C=C2,0.2122
CC#CC1=COC(=N)N1,0.1779
Cc1cc([nH]c1O)NC,0.2259
C1C2CC11C=CCC1C2,0.2511
O=CC1OC11CC=CC1,0.2162
Cc1nc(co1)C=O,0.2019
CC1C2CN2CC1(C)O,0.3045
CC1CCCCO1,0.3314
CC1=CC2OC1OC2=O,0.2254
CC(CC(N)C#N)C#N,0.2969
Cc1coc(c1OC)C,0.2317
O=CNC1COC11CC1,0.2581
CCOC(=NC)C#CC,0.2272
C1OC23CC4C(C2)N4C13,0.2954
CC1NC1(CC#N)C=O,0.2249
OCCC1C(O)C2CN12,0.294
CC1C2OC3C2C13C#C,0.2597
CC(O)C1CC(C)(C)C1,0.3284
CCC1=C(C)C(=N)OC1,0.2173
CN1N=NNC(=N)C1=O,0.1965
CCC1C(C)C(O)C1O,0.2933
CC1=CCC2C3CC3C12,0.2591
CCC1CC11OCC=C1,0.2246
CCCN=C(C=O)NC,0.154
CC1C2C=CCC12C,0.2452
OC12CCC1CC21CO1,0.3067
COc1ccoc1C#N,0.1945
NC1=NC(=N)N=NO1,0.2421
c1coc2c1c(n[nH]2)O,0.2263
OCC12CC1C(O)C2=O,0.2114
CC12OC1C1CC2C1=O,0.2411
CCC(C)([NH3+])CC([O-])=O,0.2756
CN1CC1(CC#C)C=O,0.2157
c1cnc(cc1C#N)O,0.188
CC(O)C1CCC11CO1,0.317
CC1CC2(O)CN1C2,0.294
c1nc2c(o1)CCC=C2,0.1883
COCCC(O)CO,0.315
CC12NC1C1OC21,0.2769
CC1C2NC1(C#N)C2=O,0.2463
C1C(=O)COC(=N1)C=O,0.1789
O=C1C2OC2C2CCN12,0.2405
Cc1cncc(=O)nc1,0.1656
CC#CC1CC1CC#N,0.2726
CC1C2CC1C(C)C2,0.3731
C1OC2C3OCC12CO3,0.3068
CC12CC1CC2C#C,0.2996
O=CCC(C#N)N1CC1,0.2298
N#CC1CC2CNC2=N1,0.2482
CC1C2C1C1C(C)CC21,0.3098
COC(C)CC(=O)OC,0.2641
COc1cc(=O)cco1,0.2015
C1NC11C2C3C=CC1N23,0.2124
CC1=C(N)C(=N)ON=N1,0.1628
C#CC1=CC2C3OC2C13,0.1842
OC1CCOCC1C#C,0.2971
OC1CC2CCC3C1C23,0.3196
CN(C)C(C#C)CC#N,0.2529
C#CC1=CC2OC2C1,0.1979
OC12C3C4C1CCC2N34,0.2772
Cc1c(c(c[nH]1)O)C=O,0.1641
CCc1cc(oc1)C,0.2348
CC1CC(C)C(C=O)=C1,0.1927
O=C1C=CC2(CO2)C1=O,0.1381
CCCC1=CCCOC1,0.2595
CC12CC1C1(C)NC21C,0.2714
CC1(CO)OC(=O)C1O,0.2608
N#CC1C2NC2C2NC12,0.2865
CC1(C)NC1C1(O)CC1,0.2923
N=C1OCC2NC2C=C1,0.2023
CCOC(COC)C#C,0.2846
CC1(O)CC1(O)C#N,0.2822
CC1OC(C#C)C(C)=C1,0.2523
CC1(C)C2COC2C1=O,0.1973
Cc1ccc(oc1=O)C,0.176
CC1CC2(CC2)C1=O,0.2156
OC1CCC2CC3C1N23,0.2934
CCC1OCC1(C)C=O,0.224
CN=c1[nH]cc(o1)CO,0.2111
C(C#CC#CC(=O)N)O,0.1994
CC#CC1OCC(=O)O1,0.2747
CC#CC1OC(=N)C1O,0.2718
C#Cc1nc(c(o1)N)O,0.1597
CN1CC1C1CC1(C)O,0.2924
CC1OCC2(NC12)C#C,0.2659
CCCc1cc(no1)C,0.2472
OCC1(CC(=N)O1)C#C,0.2788
OCCC(O)COC=O,0.2847
CC12CC1(CO)CCC2,0.3293
CC1OC2CC2C(C)O1,0.3308
CC1(C)C2C3OC1OC23,0.3255
COc1c([nH]c(=O)[nH]1)O,0.2268
CC12CC1(CC=C2)C=O,0.215
CC12CC(C1)CC2=NO,0.259
Cc1cc[nH]c1,0.2515
CC1C(C)C1OC(N)=O,0.3107
CC1C2CC1C(O2)C#C,0.2784
CC(COC=O)CC=O,0.2288
CC(C)c1cc(co1)O,0.2248
CC1(C2CO2)C(O)C1O,0.2841
OCC(CC#C)C#N,0.2961
COC1(C)C(O)C1C#C,0.2695
OC1(CC1NC=O)C#C,0.2586
NC(=[NH2+])C[C-](C#N)C#N,0.1365
CC1C=CN2C=NC=C12,0.2014
c1c(n2c(n1)CCC2)O,0.2414
CC1=CCCCC2CC12,0.2363
OCCCOC(=N)C#N,0.2242
CC(N)C(=O)NC(C)=O,0.2138
CCc1cc([nH]n1)C#C,0.2121
Cc1ccoc(=O)c1O,0.1725
N#CC1C2CCOC12,0.2761
COC(C)C1=NNC=C1,0.2617
N=C1N=NNN=C1C#C,0.1556
CC1(C)C2C1C1CC2C1,0.3367
OC1CC2CC2C11CC1,0.3243
CC1C2C3OC(C23)C1=O,0.2099
C1OC1C1C2C3CC2C13,0.3505
CC#CC1=CCC2OC12,0.1973
O=C1CC23CC(O2)C13,0.2217
c1c(c(n[nH]1)N(=O)=O)N,0.1512
O=CCC1C2C3CC3N12,0.199
CC12NC1C(O)CC=C2,0.2412
CC1OCC(O1)C1CO1,0.3384
OC12CC3C1C2C1CN31,0.3029
NCC1(NCC1N)C#N,0.2642
CCCC1(O)CC=CC1,0.2661
CC1C2CCC3OC2C13,0.3083
O=C1NC2=CCCC2O1,0.2389
CC1(C)OC(=N)C1C#C,0.2847
N=C1CC(CCO1)C=O,0.2271
CC1N2C=NCC12C#N,0.2374
c1c(ncn1C=O)N,0.162
NC(=O)C1C2C3NC3C12,0.2586
CC1C2C3C4C(N24)C13C,0.3018
CC(C)(C1CC1)O,0.3358
CC(O)C1NC1(C)C#N,0.2829
N#CC12C3C4C3N1C24,0.2363
c1cnc(c(c1F)N)F,0.2072
CC1(C=O)C2OC2C1O,0.2232
CC1C(C)C2=CC=CN12,0.2479
N#CCOC1=CN=NO1,0.1802
OC1CN=COCC1=O,0.2092
CC1(CC2(C1)COC2)C,0.3015
CCC1(CC(=O)N1)CC,0.282
CC#CCCC#N,0.2878
OCC1=NC(CN1)C=O,0.2032
C1NC1C1OC2CC1C2,0.3152
CC1(CCCC1)C#N,0.3465
CCC(C#N)C1CCO1,0.2944
CCC1(CC1)OC,0.3303
CN(C1CC1)C(=O)OC,0.2839
N=C1NC2=C(OCO2)O1,0.1877
Cc1c(cccn1)NC,0.1943
N=CN1CC2CN2C1=O,0.2355
CC(C)c1cnc[nH]1,0.2491
CNc1ccc(cn1)F,0.1804
OCC1CCN1CC=O,0.2106
C1C2C3CC22N=COC132,0.2472
Cc1c(=O)cnccn1,0.158
CC(C)(C(=O)C#N)O,0.1909
C1C2CC3=CCC1C23,0.218
COC12CC3C1CC23O,0.3282
CC1(CC1)[NH2+]CC([O-])=O,0.2683
Cc1c([nH]nn1)C#N,0.2186
CN1C(CC#N)C1(C)C,0.2637
CC1CC(O)C1=O,0.2217
COCC1OCOC1=N,0.2755
CC(=O)C1NCC1=NO,0.2103
COC(COC=N)C#N,0.2776
c1ccnc(c1)O,0.2133
CCOCCNC=O,0.283
OC(C1CN1)C1CCO1,0.2838
OC1C2C3C2C1(O)C3=O,0.2467
CC12CC1COC(=O)N2,0.2893
CCOC1C2NC2C1O,0.2989
CNCc1ncno1,0.2106
CC1(C)OC(CO)C1O,0.2981
c1c[nH]c(c1O)C#N,0.2033
CCC12OC1C1CC21O,0.2874
CN1CC(C1)(C=O)C#N,0.1799
CC12CC(OCO1)C2O,0.3183
CC1=CC2NC2CC1,0.2392
CC1CC11CC(C)O1,0.3061
CCOC(=N)C(C)C=O,0.2179
OC1CC(C#C)C1C=O,0.2122
CCC(=O)N1CC1C#C,0.254
Cc1cc(on1)CO,0.2462
[NH3+]CCC1=C([O-])C=NO1,0.211
N=C1OCC(CC#N)O1,0.2871
CC1C2CCC1N=CO2,0.2695
CC(=O)CCC1(CC1)C,0.234
CC(CC#CC#N)C#N,0.2439
CC#CCc1ccoc1,0.2425
CC1(OC=N)C2CC1C2,0.2826
OC12COC1C1(CO1)C2,0.285
CCOc1cc[nH]c1C,0.2241
CC1=CC2(C)C3CC2C13,0.2244
OC1C2CC1C=CC=C2,0.1765
CC1CC1OC(N)=O,0.3151
Cc1c(oc(n1)C)C,0.2333
C1COC(OC1)C#N,0.3019
CC1CC2=CC(C)OC12,0.2357
CC(=O)C1CCCOC1,0.223
C1C23COC12CCCC3,0.2971
COC12CC1C1C2N1C,0.2781
CC(O)(CC1CO1)C#N,0.3186
NC(=O)C1OCC(=N)O1,0.2552
Cc1c(occ1OC)C,0.231
O=C1OCC=CC2NC12,0.2259
CC1(CC1)N(C)CC#N,0.2598
C1CC11CCCC2OC12,0.3395
O=C1C=C2C3C4C1C2N34,0.1447
OCC1C2C(O)C2C1=O,0.2229
CCc1cncoc1=O,0.1925
C1OC23COC12COC3,0.29
OC1C2CC1(C2)C1CN1,0.3074
C1CN1C12CC(C1)OC2,0.3179
N=C1OCC2NC2C1=O,0.1953
CC1(CC1)C(O)C1CC1,0.3431
O=C1C2NC2CC1C#N,0.2101
CC12CC1COC=N2,0.2513
CN1C2C3NC3C1C2=O,0.2206
OC1C2C3N2CC13C#N,0.2653
NC1(C=CCC1O)C#N,0.2487
O=C1C=CCC2CC1C2,0.1887
CCC1=CC(=N)NN=C1,0.1598
CC1C(CO)C2OC12C,0.3177
Cc1cc(nc(n1)O)F,0.2241
CC12CCC11CC(C1)O2,0.3184
OC12CC3C(C1)C3C=C2,0.246
c1c(c(c([nH]1)O)O)C#N,0.1886
CCC(=O)N(C)C=O,0.2274
CC(C)Nc1c[nH]cn1,0.2168
OCC1(O)C2NC(=O)C12,0.2451
CC(C)(O)C1CNC1=O,0.2764
CCC(O)CC1CCO1,0.3084
O=C1OC2CC12C1CO1,0.2694
CCC(C)(N)C#N,0.2918
CC12C3C4N1C4(CO)C23,0.2792
CC#CC(=O)N1CC1C,0.2181
C1OCC2C3OC2C3O1,0.3144
COC(CC#CC)C#C,0.2756
N=C1OC2CC12C=O,0.2194
c1c2n(cn1)CCCO2,0.2318
CCC1C(O)C1C(C)C,0.3032
CC(C)(CN1CC1)C#C,0.295
NC12C3CN=C1OC23,0.1521
OC12CC3C1OC23,0.3
C1CC23CC(C2)OC13,0.3185
CC#CC1C(C)C1CO,0.2806
Cc1ncc(o1)CC=O,0.2
c1c(nn(n1)C2CC2)O,0.2219
C1C=CC2C3OC3CC12,0.2606
CC12CC1C(=O)NC=C2,0.2109
c1cncc2c1con2,0.1594
OC12CCC1C=CC2,0.2614
CC12OC(=O)C1CC=C2,0.2575
C1OCC23COCC2C13,0.3467
CC1(C)NC(=O)NC1=N,0.2596
CCc1c(c[nH]n1)O,0.2357
CC#Cc1cc(n[nH]1)C,0.2099
COC1(CC2NC12)C#N,0.2672
c1c(nncn1)O,0.1709
C#CC12CC3C(CC13)O2,0.2748
NC(CNCC#N)C#N,0.2695
C1OC1C1=COC=C1,0.2377
CN1C2C1C1(CN1)C2O,0.3028
OCC1CCC2CN2C1,0.2875
CC12CC1C1C(C#C)C21,0.2516
CC1=CCCC2CCC12,0.2569
OCC1OCC2CC1C2,0.317
CC12CC1CC2C(N)=O,0.266
CCC1NC11CNC1=O,0.2707
CCCCC1(CC1)C,0.3464
CCCCCC1CC1O,0.3338
c1c(ocn1)C(F)(F)F,0.2455
C1COCC=C1C#N,0.2234
OCC(O)C1CC(=O)C1,0.2229
CN1CC(=O)N(C1=O)C,0.2459
c1c(c[nH]c1CO)C=O,0.1908
CC1CC1C1OCC=C1,0.2488
COC1C2CC(=O)OC12,0.2684
C1CN1C1COC11CC1,0.3022
c1c([nH]cn1)NC(=O)N,0.2181
Cn1ccc(=O)c(n1)O,0.184
CC(C)C(C)C(C)(C)C,0.3638
CC1CC(CO)C1CO,0.3285
COCC1C(C)N1C=O,0.2627
OCC(C#C)C1COC1,0.2862
CC(O)CC(C)C1CO1,0.3271
CCCn1cnnc1,0.2664
CCC1=NOC(=N)N=C1,0.1607
O=C1CC2OC3C(O2)C13,0.2248
O=C1CCOCC1C#C,0.2158
CCCC1(C)C(C)C1O,0.2973
CC#Cc1ccc(o1)N,0.1798
CC1C(CO)C2OCC12,0.3058
CC1N2C3CC1(C#N)C23,0.2668
OCCC(O)CCC=O,0.2299
OC12C3C4C5C1C(C23)N45,0.2922
C1C2COC3CCC12C3,0.3181
CCC(C)C#CC(C)O,0.2876
Cc1c(cc[nH]1)C#C,0.2167
CN1CC(=NO)C1,0.2255
CC1=NC(=N)NC(O)=N1,0.1961
CC1C2CC2(C)C=C1C,0.2429
COC(=O)C1C2CCC12,0.2673
CC1NC(N)=NC1C#N,0.2625
C(=O)C#CC#N,0.1843
CC1(OC1C1CC1)C#N,0.2909
CC1=CC(=N)NC(=O)C1,0.2115
COC12C3CC1(C)CC23,0.3033
CCC1=CNC(=O)NC1,0.2208
CC(O)(C1CN1)C1CN1,0.302
COC1(C)C2C3OC3C12,0.2704
N=C1CN2C=NC=C2O1,0.2068
CC1NC(C)(C#N)C1=O,0.217
CC(=N)OCC1CN1,0.2777
CC1NC1(C)C(O)C#N,0.2562
CCCOCC1COC1,0.3277
C1CC1C(=O)N2CC2,0.2511
Cc1c[nH]nc1C(=O)C,0.2047
C1CC12CC=CC=CC2,0.1903
O=C1OCC2CC2C1=O,0.185
CC1(CNC1=O)C=O,0.215
CC1CC(O)C1=NO,0.2467
OC12CC=CC1N1CC21,0.2337
C1C2C3C4C5NC5C13N24,0.2953
c1c(n(cn1)CC=O)O,0.17
CCC1N=C2OC3C1C23,0.1619
COCC1(C)CC(=N)O1,0.2887
CCc1cc(c[nH]1)C#N,0.2219
CC(C#N)N1C=NC=N1,0.2702
C(=O)C#Cc1nnon1,0.1767
CC1(CC2CN12)C=O,0.219
OC(CC(F)(F)F)C#C,0.3007
NC1C2[NH2+]C(C12)C([O-])=O,0.2672
C1C2C3C1C2C31COC1,0.3222
OC1C2NC1C=C2,0.2298
CC1C=CC2C3CC12C3,0.2543
CCN1CC1C1CCC1,0.3022
OC1CC2C=CCC12,0.2581
CC1C2CC(O)C12O,0.3191
CC1=CCCC1(O)C=O,0.2034
COCC(CO)C#N,0.3026
CC1CC11NC(=O)C1C,0.2725
CC(C)C1OCC1O,0.3033
COC12CC1C(C2)C#N,0.2945
OCC12COC1C(O)C2,0.2994
c1c(nc(o1)N)N(=O)=O,0.1644
c1c(nncn1)CCO,0.1641
c1ncon1,0.2719
CCC(=NO)CC=O,0.2078
CC(C)C1(CN1)C(N)=O,0.2656
N=C1CC2C3OC3C2O1,0.2827
CCC#CCC(=O)CC,0.2284
O=C1CN2CC1C(=O)C2,0.1791
COc1cc(on1)C#C,0.2048
CN1CC1CCC1CO1,0.3073
Cn1c(cc(n1)C=O)O,0.1919
O=C([N-]CC1C[NH2+]1)C#N,0.2276
CC12C3OC1C(C)(C)C23,0.3073
CCC12CC(O1)C=CC2,0.2406
CC1C(C#C)C1(N)C#N,0.2489
C1CC(C1)C1CCCO1,0.3221
CC1COCOC(=O)C1,0.271
OC1CCOC2CC12O,0.3053
OCC1=NCC2CN12,0.2514
c1cnc-2oncnc12,0.1336
CC12CN1C1(C)C(O)C21,0.2814
CC12CCC1(C)C=CC2,0.2623
O=C1CC2CNC2=C1,0.2058
COCC1(C)C2CN1C2,0.2993
c1c(=O)c(non1)C=O,0.1487
OC1C(O)C11COCO1,0.2676
CC(C)C(C)(O)C(N)=O,0.2649
CC1(O)CC2NC2C1O,0.3051
CC12CC(C=CC1)C2O,0.2477
CC1OCCOC1(C)C,0.3136
CC1=C2CCC2OC1=N,0.2077
NC1C(O)CC1(O)C#N,0.2867
COC12CC(CO)(C1)C2,0.3187
N#CC1=CC2CC2NC1,0.1879
CC12CC3C1OC23CO,0.3067
C#CC(=O)CC#N,0.2104
OCC1OCC(O)CO1,0.3241
CCc1cn(nn1)CC,0.2486
Cc1cc(c(cn1)O)F,0.2125
CC(C)(CC=O)OC=O,0.2243
O=C1CN=COC1C#C,0.1968
CN1CC2CC2C1C#N,0.2569
O=C1OC23CCC12CC3,0.2653
CN=C1NC(=O)CC1O,0.2417
CC(=O)C(C)(C#C)C#N,0.2212
NC1=CC(=O)N=NO1,0.2053
CC1(CNC1C=O)C#N,0.2076
C1COC2(CC2)CC1=O,0.2224
C1OC1C1CCC=CC1,0.2678
CCN=C(C(=O)N)N,0.2144
COC(C)C1COC1,0.3079
NC(=O)C12CC(C1)C2=O,0.2385
C1C2OC3C2COCC13,0.3248
O=C1C=CC2CN12,0.1979
CN(C)Cc1c[nH]nn1,0.2185
C1C2OC2C11CCC=C1,0.2516
CC(CC#C)(C#C)C#C,0.2831
CCc1ccc(o1)CO,0.2261
C1OC2COC1C1NC21,0.3091
CC#CCNCC=O,0.215
c1c[nH]c(=O)c(c1F)N,0.1718
CC#CC(CO)C(N)=O,0.2716
CN=C1OCC1C(N)=O,0.2593
CC(=O)C(=N)OCC#N,0.1939
CC1CC2N(C=O)C12C,0.242
CC1NC1C1=NNC=N1,0.2469
CC1(CN1)C1COCO1,0.3202
CC12CC1(O)CNC2=O,0.2661
OCCN1CC1C#C,0.2665
CC1=CC2NC3C2OC13,0.2303
CCc1c(nn(n1)C)O,0.2271
CC1CCC2CCC12O,0.3171
CC12C3OC4C1C4(C)C23,0.3155
OCC1(O)CCC2OC12,0.312
CC1(C)C2NC(=O)C12N,0.2303
CN1CCn2c1ccc2,0.2229
NC1=CC(=N)NC(=O)N1,0.2063
C1C2OC22CC1CCC2,0.3242
CN1C2C(=O)CC12C=O,0.1888
O=CC1(NC1C#N)C#N,0.2197
Cc1cc(oc1)N=CN,0.1751
OCC1=CCC2CC12,0.2487
CC(C)C(C#N)C1CN1,0.2808
C1C2N3C1C21C=CCC31,0.2248
CCC1C2CC1N=CO2,0.2605
C1CC23OC(C=C2)C13,0.2207
O=C1NC2CC2C1C#N,0.2616
O=CC1C2CCC2C1=O,0.2082
O=C1NC23CCC2OC13,0.2392
CC(C)CC(=O)OC=N,0.2527
O=C1OC2OC1C=C2,0.223
CC12CCC1CC2C#N,0.3096
C1CC11OC2CCC12,0.2982
OCC1OC2C1NC2=O,0.2485
CC1CNC(=N)C(=N)O1,0.1998
N#CCC1OC2CNC12,0.2851
CC(C)OCCO,0.3337
CC1(C)C2CC1(O2)C#N,0.256
CCC1(C)C2C3OC3C12,0.2822
CC1C(O)C1(O)C=O,0.2212
N#CC1CN2CC(C2)N1,0.2515
OC1COCOCC1O,0.309
CC1C2C=CC3C2C13C,0.2317
Cc1coc(n1)CNC,0.2346
CC1(CO1)C1OC2CC12,0.3133
CC1(O)COC2CC1C2,0.2985
C#CC1COC11CCC1,0.2818
OCC12C3NC1C(=O)C23,0.2205
CNC1=CC(=N)C=NN1,0.1678
c1ncnc(n1)C(=N)N,0.1732
CCN(CC(=O)N)C=O,0.2445
c1c(c(n[nH]1)N)NC=O,0.2171
CC12C3C4C5C(C15)C2C34,0.3232
OC12CC1CC=CC=C2,0.1852
c1c(non1)C2(CC2)O,0.2268
NC1=CC(=O)C2OCC12,0.1923
C1CC1C(=O)CC#N,0.2365
Cc1cc2ccoc2o1,0.2199
CC(O)CC1COC1=O,0.2809
CC(=O)C12OC3C1CC23,0.2156
CCC1(CN1C)C=O,0.215
ON=C1CC(C1)C=O,0.2228
CC12OC3C(OC1=N)C23,0.2441
CCC1(C)OC(=O)C1O,0.2656
O=CCC1(CO1)C1CO1,0.2216
NC1=NC2CC2(N1)C#N,0.2433
COC1CC2CCC12,0.3198
CC1(CC1)C#CCO,0.2704
OC1C2N3CC1C23C#N,0.2633
O=C1CCC11CC1C#C,0.2106
CCC1CC1(O)CC=O,0.2187
c1c(c[nH]c1NC=O)O,0.1849
CC1(CCC(=O)NC1)C,0.2664
c1coc(n1)CC2CC2,0.2436
CCc1cncc(=O)[nH]1,0.1693
CCC1(O)C(C)CC1O,0.2985
COC(=O)c1ccn[nH]1,0.2177
OCCC1CC(O)CO1,0.3133
CCCCCCNC=O,0.2834
CC1(O)COC(=O)C1=O,0.1665
O=C1CC23CC12C=CC3,0.2192
CCC12NC1CC21CC1,0.2969
OC12C3CN3C3C1CC23,0.2996
C1C(CC1=O)C#CC=O,0.1929
CCC1COC2CC2C1,0.3009
CC(C#C)C1=NOC=N1,0.2425
CNc1cnc(cn1)F,0.1678
FC(F)(F)C1CC2NC12,0.3098
C1CC1C1CC2CC1C2,0.3554
OC12CC1(C#N)C1NC21,0.2676
CC1C2NC1(C#N)C2O,0.267
C1CC12CC(C2)(C#N)N,0.2928
N=C1C=C(NC=N1)C#N,0.1606
c1c(nn[nH]1)OC2CC2,0.2224
CC12CC3OC3(C)C1O2,0.3324
CC(=O)C1C2NC(=O)C12,0.2085
CC1OCC1OCC#C,0.2745
N#CC12CN1CC21CO1,0.2542
CC1(C2CO2)C2CC1C2,0.351
Cc1coc(n1)N(C)C,0.2274
O=CCC1OC1C#C,0.223
CC(C)C1C2OC(=O)C12,0.276
CC1(O)C2C3CC3C12C,0.2753
CC1COC(C)C1C,0.3138
CC12C3C4C(C4C1=O)N23,0.2095
CC(O)CCN(C)C=O,0.2721
CC12CC1(OC=N2)C#C,0.2484
Cn1ccc(c1)CC=O,0.1991
C(CC#N)CNCC#N,0.2737
O=CNC12CCC1CC2,0.2715
CC(CO)C12CCC1N2,0.3157
O=C1CC=C2CCC2O1,0.2442
C(N1CC1)C12CC(C1)O2,0.3246
CN=c1[nH]cc(o1)C#N,0.1734
COCCNCC#N,0.271
CCCN(C)C(=N)C#N,0.1972
CC1CC=CCCCO1,0.2524
CC(O)C12CC(C1)C2,0.3293
CC12CC1C1OC21,0.293
O=CC1C=CC2CC12,0.2162
CCC(N)(C[NH3+])C([O-])=O,0.2722
C#CCN1CC(C1)C=O,0.2108
CC1=CC2NC2C11CC1,0.2354
CN1CC1(CO)C#C,0.2704
Cc1cc(on1)NC=O,0.2114
C(=N)(C(F)(F)F)N,0.2653
CCC(=O)COC(=O)N,0.2353
CCN1CC1C#CC#N,0.2034
CC1C2CC3OC3C12C,0.328
C1NC1C#CC1CN1,0.2546
COc1nc(no1)N,0.2483
OCC1OC(C=C1)C#N,0.2435
CC1C=CC2OC2C=C1,0.2273
O=CC1(OC1C#C)C=O,0.1881
CN1CC11C=CC2OC12,0.2143
CCN(C)C(CN)C#N,0.2655
OC12CCC1CN1CC21,0.3067
CC1=CCC2C3OC2C13,0.2469
CC12OCC1NC2=N,0.2546
CCC1(C)CCOC1=N,0.2872
CC(CO)C1C2CC1O2,0.305
CC1(CO)CC(=O)N1,0.2762
NC1C2CC2OC1=O,0.246
CC(=O)C(C)(C=O)C=O,0.1886
c1c2c([nH]n1)CC(=O)O2,0.2154
COCCC1CC1C#C,0.2912
OC1(CNC1C=O)C#N,0.2043
CC(C)C1COCOC1,0.3324
Cc1cc([nH]c1)C2CC2,0.2328
O=C1CNCC11CN1,0.1915
CC1(C)CC2NC1C2=O,0.232
C#CC1OCC(O1)C#N,0.2865
CC12C(O)C1CC21CN1,0.2928
OC1(CN2CC12)C1CO1,0.2895
OCC1CCC11CCO1,0.31
CCC1C(C)C1NC=O,0.2711
CC1COC2C3CC3C12,0.3133
c1c(c2c([nH]1)[nH]nn2)O,0.1982
CC1C2C3CCC1C23O,0.3076
C1C2C=CC3CC=CC123,0.2258
CC(O)C1C2C(C)CN12,0.2957
CC12CCC3C1C2C3=O,0.2344
CC1CC2CC1(CO)C2,0.3394
COCCc1cc[nH]n1,0.2657
NC(=O)C12CC(O1)C2=O,0.2343
CC(C)(C#N)NC,0.2745
C1CC1C(CO)(CO)O,0.298
CCC1COCCOC1,0.323
CCCC1(O)C2CCC12,0.3131
CCC1(CC1)C#CC,0.287
O=CCCC1OC1C#N,0.2284
C#CC12CCC1CCC2,0.2977
O=C1OC2CC3OC2C13,0.2517
CC1=CC2OC1C2(C)O,0.2352
O=C1COC(O1)C#N,0.277
CC1OC1(C)C1CCO1,0.315
CC1(C)COC(=N)C1,0.2863
O=C1C2CC3CC2CC13,0.2282
CN(CCC([O-])=O)C=[NH2+],0.2378
CC1CC2C3OC2C3C1,0.298
O1C2C3C4C5C4C(C23)C15,0.3028
O=C1OC23CC2(CC3)O1,0.2843
C1C2C3C4C=CC(C13)C24,0.2472
CC1=CC2C3C2C(=O)N13,0.1991
C1NC23COC2=NCC13,0.2316
CCC1(O)CC1(C)C#N,0.3092
COC1COC(=O)C1O,0.2612
CCC#CCC(=NO)C,0.2549
NC1=COC(=N)N1C=O,0.1875
CC1C2CC1(C)C2=O,0.2476
C1C2OC3CC3C12,0.3135
CC1(O)C2CN2C1=N,0.2467
OC1CC2C3CN3C2C1,0.2842
OCC1CC2(O)C(O)C12,0.3019
CC(=O)C(C=O)(C=O)O,0.1952
Cc1n[nH]c2n1nnn2,0.2218
COC1CC1(C)CCO,0.313
O=CN1C2COC(=O)C12,0.2402
CC1C2NC2C2NC12C,0.2863
C(=O)c1c(c(on1)N)N,0.1409
c1c2c([nH]n1)nco2,0.2145
CC12CN1CC(=C2)C#C,0.191
CC1CCOC1(C)C#N,0.2956
CCC12CCC1OC2C,0.3045
CC(C)OC(=O)CN,0.262
OC12CC1C=CC21CO1,0.225
CC12CC(=O)C1CC=C2,0.2197
OC1=CN=C(F)OC1=N,0.1799
CN1CC23COC2C1C3,0.258
CNC(CO)(C#N)C#N,0.2568
CCOC1(COC1)CO,0.3125
c1c(n[nH]c(=O)n1)CO,0.1693
COC1(CO)CC1C#N,0.2869
C(=O)n1nc(nn1)O,0.1951
CC1(CCC1O)C=O,0.2231
C1OC1C12NC1C1OC21,0.2682
NC1=CC(=N)OC(O)=N1,0.1856
CCC(O)C1(CC1)C#N,0.3035
CCOCC(O)CCO,0.3264
CCC12OCC1NC2=O,0.249
C#CCCOC(=O)CO,0.2838
CC(C)C(O)C1OC1C,0.3216
CCc1c(con1)NC,0.2107
COC(C)C1(C)CN1C,0.2973
CC1(C)OC2C1NC2=N,0.2533
CC#CC1OC(C)C1=O,0.2069
COCCNC=O,0.283
C1NC11C=C2CC3C2C13,0.1739
OC1CC1C1(CO1)C#C,0.2522
CC#CC1=CC2CC1C2,0.189
CC#CC12CNC1CN2,0.2541
COC1CCOC2CC12,0.321
CNC1C(NC1=N)C#N,0.2436
CC12CC3(C)CC1C2C3,0.3332
OCC12CCC1COC2,0.3151
Cc1cc(ccn1)OC,0.2379
c1nc(c(=O)on1)F,0.1796
CC(C)C(CO)C1CO1,0.3237
OC1CC2C3CC(=C1)C23,0.216
CC1=C(N=NO1)C1CN1,0.1995
Cn1cnn2c1nnn2,0.2354
CC1CC2(O1)C1CC2O1,0.3128
Cc1cc2n(c1)CC=C2,0.1729
CCC(=O)CCNC=O,0.2322
C1C2CN1C1=CNC=C21,0.2576
CC1OC1CC1(C)CC1,0.3311
O=CCC12CC1CCC2,0.2231
CCC1CCC1C(C)=O,0.2272
OC12C3CCC1OC23,0.2916
CC12CN1C(CO)C2O,0.2944
CC1CC1NC(N)=O,0.2952
O=C(C#C)C1(CN1)C#N,0.1963
CCCc1cn[nH]c1C,0.2504
CNc1cnc(nn1)O,0.1521
OCC1OCCC1=O,0.215
CC12CC(O)C3OC1C23,0.3005
Cc1c([nH]nc1NC)O,0.235
CC1OC(=N)OC1C,0.308
C#CC1(CO1)C1CC1,0.2851
O=C1CC23COCC12N3,0.2181
C1OC1C12CCC1CC2,0.3417
O=C1C2CCC3CN2C13,0.2056
OCC(=N[O-])C1CC[NH2+]1,0.1188
c1[nH]c(c(n1)N)CCO,0.2187
NC(C1CC1)C(F)(F)F,0.3386
c1cnc([nH]1)OCC=O,0.1785
COC1OCC=CC1=O,0.1807
Cn1ccc(c1O)N,0.2337
c1c2c(c[nH]1)C=CC2,0.2005
CC12CC3C1C2(C)C3=O,0.2448
CC1(C#C)C2OC2C1=O,0.2029
CNc1c(n[nH]c1O)N,0.2542
CC1CC2C(=O)CC12O,0.2194
COCc1conc1O,0.2536
OC1(CCC=C1)C1CO1,0.2551
N=C1OCC2OC2C=C1,0.2013
CC(=NO)C#CCC#N,0.2041
c1cnc(c(n1)CO)F,0.1983
NC(=O)N1CC1CCO,0.2632
CCC1(COC1)NC=O,0.2588
CC1=CC(=O)C2NC12,0.1804
CC1CC11CC=CC1C,0.263
C(=O)c1nc(on1)C=O,0.1708
CCC#CC1CCCC1,0.2967
CCC1=CC2CC1(C)C2,0.2336
CN(C=O)C(=N)N1CC1,0.2358
CCC12C3CC1C(=O)N23,0.2498
CC1CNC=CC1=NO,0.1792
OC1C2COC2CC1=O,0.2195
Cc1c(n(cn1)C=O)O,0.1741
O=CC1C2C3CC1CN23,0.2131
N=C1NC(=O)C2CCC12,0.2472
CC(CC1CN1C)C#C,0.278
COC1(CCOC1)C=O,0.2093
CC1(C)C2NC1C21CO1,0.3131
Cc1ccc(cc1)C=O,0.1927
NC12CC1(NC2=N)C#N,0.2265
CC1OCC(=O)C2CC12,0.2162
OCC1NCCOC1=N,0.2475
c1c(nc([nH]1)N)O,0.2281
CC1CC2(CN2)C1(C)O,0.3089
CC1(C)CC=CC1C#C,0.2601
CC12CN(C1)C2C1CO1,0.3035
O=C1C2C3C1CN23,0.228
c1c(c(ncn1)F)C#N,0.207
CC(=O)C1(CC(=O)C1)O,0.2195
COCCC(C)C1CC1,0.3382
N=C1OC(=O)OC=C1,0.2155
N=C1OCC2=C1C=NN2,0.2364
CCNC(=O)C(C)C#C,0.2722
c1cc(cnc1)N2CC2,0.2
CC1(O)CC2OC1C=C2,0.2529
CC#CC1(CC1)C#C,0.2621
C1C2OC=NC3CC2C13,0.2563
CC1CC1C1CCC=C1,0.2631
OC1(CC11CCN1)C#N,0.2393
c1c[nH]c(cc1=O)O,0.2052
CC1NC1CC#CC=O,0.2008
CCCOCC(C)C#C,0.313
CC1(O)C2C3CC3(O)C12,0.311
OC1C2C3(CC3)CC12O,0.3042
OCC1C(O)COC1=O,0.2631
CCC12COC1C2O,0.2904
c1cc(c(c(c1)O)O)N,0.2193
CC1=C(OC=N)C=NN1,0.2374
Cc1cnc(o1)C#N,0.2001
C1C2(CO1)C(=O)C=CN2,0.1849
Cn1ncc(n1)OC,0.2287
CC(O)COCC#N,0.2752
CC12OC1C1CCC2C1,0.3412
OC(C=O)C1=CC=NO1,0.215
C1CC2C1C21CCCC1,0.3332
O=C1CC=C2CCCC12,0.2247
NC=[NH+]C1=NC(O)=N[N-]1,0.1131
CC(C)n1ccc(n1)N,0.2302
CC(C)(CCC#C)OC,0.3109
CC12CCC1(CC=O)N2,0.2005
c1cc([nH]c1)OCC#N,0.2025
CC(O)(C#C)C1CC1,0.2989
COC(CO)CC(C)=O,0.2283
CC1OC1(C)C(=O)C=O,0.1484
CC1N=COC(=O)C1C,0.2482
Cn1nc(c(n1)N)N,0.2075
N=COC1CC(=O)CO1,0.2224
CCCCOC(=O)C#N,0.2469
CC1CC(C=O)C1=NO,0.218
CC1=CC2OC2C1C=O,0.2097
C1OC2CC3CC12CO3,0.3195
C1CC=C(C1)C#N,0.2206
CC(=O)C(=O)C#N,0.1501
Cc1coc(c1C=O)C,0.1842
CCC(C)C1OC1C=O,0.2164
CC1CCC=CC1(C)O,0.2582
CN=c1cnoc(n1)F,0.195
CC1CC=C(C)C11CC1,0.2465
C1OC11CCC11CO1,0.3056
CN1CC(CCO)C1=O,0.2781
CC1OC1C(C)(C)O,0.3142
CC1OC(CC#N)C1C,0.2944
CC12CNC1(C#N)C2N,0.2287
OC1CC2C3CC2(O)C13,0.3142
ON=C1CCC(O)C1O,0.244
CC1OC(=O)C1(C)O,0.2628
OC1C2C3CN2C13,0.2943
CCC(C#C)C(C)CO,0.3084
NC1=NC(O)=NC(=N)O1,0.2089
CN=C1C=CNC(F)=C1,0.1796
C1CC2(O1)C1CC2OC1,0.3041
CC12CC3OC1C3C2O,0.2996
CC(=O)OC(=N)CCO,0.2713
C1C=CC2N=COC12,0.2557
CC12C3CC1CC2C3,0.3369
Cc1c(c[nH]c1N)N,0.231
CC1(CC1(C)C=O)C=O,0.2004
C1CC1C1COCCO1,0.3235
C1CC2CC3NC3C2O1,0.2937
OCC(=O)CC1CCO1,0.2194
Cc1coc(=O)[nH]1,0.2418
OCC1(O)C2OC(=O)C12,0.2579
CC1(NC1CO)C#N,0.2787
C1COc2c1oc(=O)[nH]2,0.2294
Cc1c(cnnc1N)O,0.1953
CC1NC1(C)C(=O)C#C,0.1878
CCN=c1[nH]cc(o1)O,0.2318
CC(C=O)C1(CO1)C#N,0.2233
COC(C)C(C)CCO,0.3281
O=C1NC(C#C)C2CC12,0.2674
CCCCC1CC1C=O,0.2286
CC12OCC3CC1(O)C23,0.2891
Cn1cccc1CC#N,0.2346
CC(C)C(C#N)N(C)C,0.2625
N=COC(CC=O)C#C,0.2219
N=C1CC(=O)C(N1)C#N,0.2018
N1C=CC=CC=CC=C1,0.1678
CC1N=COCC2NC12,0.2636
CC(=O)OCCCCO,0.2849
C1C=CCOCC1=O,0.2177
CC1COC1=NCCO,0.2633
CC(C)(O)C1CCC1=O,0.2179
O=CN1CC2C3CC2C13,0.2682
CC(O)C1=NC=CN1C,0.2386
CC1NCC(=O)N2CC12,0.2314
C1CN1C1COC=NC1,0.2704
COCC12CCC1(C)N2,0.2873
Cc1coc(n1)CN,0.2424
OC12CC1CC(=O)C2,0.2225
C1C2C3C4C1C=CC2N34,0.2318
COC1C2CCC=CC12,0.241
C1CN(C(=O)CN1)C=O,0.1955
NC(=O)C(C=O)N1CC1,0.2152
CCC1(CC1C)C#N,0.3159
CC1=CCCN1C(=O)C,0.2111
CC(C)(C)c1cnoc1,0.246
c12c(nc([nH]1)O)nn[nH]2,0.2156
OCC1CC=CC2CC12,0.2472
OC1CC11OC(=N)C=C1,0.1922
CCOC(=N)CC,0.2956
CC1OC2CCC2=C1,0.2362
C1OC11COCC2NC12,0.3064
CC#CCC#N,0.2899
OC1COC(=O)NC1=O,0.2522
C(C(=O)C(=O)C(=N)N)O,0.1742
C1CC23C1CC1C2CN31,0.303
C1CC1c2nc(on2)N,0.2408
CCc1cnn(n1)CC,0.2483
C#CCOC1CC1C#N,0.2826
FC1=COC(=N)N=C1F,0.1685
CNC(CO)C(=N)OC,0.2343
CCC1CCOC2CC12,0.319
CC(=O)c1cn(cn1)C,0.2059
Cc1cnc(nc1)F,0.2132
O=C1OCC2OC3C2C13,0.2584
C#CC1(CNC1)C#N,0.2556
CC1=C(O)C(=N)NC=N1,0.1793
O=CCC1C2CCCC12,0.2255
CC(OC(N)=O)C1CN1,0.2936
OC1CCOCC=CC1,0.2485
COCC1OC(=N)C1N,0.2691
CN1CC1CNC(N)=O,0.2792
CC1C2OC2CCC1=O,0.2279
N#CC12C3C4C1CC2N34,0.2559
CC1OCC=CC1C#C,0.2551
C1C2C3C4CC=C3C1N24,0.1681
CC1(O)CC(O)C1C#C,0.2961
OC1=NN2C3CC3C2=N1,0.2142
Cc1c([nH]nc1OC)O,0.2553
CN=c1oc(no1)C=O,0.1553
C#CC1CCCOC=N1,0.2603
COC1(C)C(C)CC1=O,0.1986
COC(CO)C(=O)OC,0.2645
COC1C2CC1C2C#C,0.2919
Cc1c(nc(o1)O)NC,0.217
O=C1NCC2CN=CN12,0.2459
CC1NC11CNC1C=O,0.2059
CC12COC1(C)CO2,0.3071
CC12CC1C(C)(O)C2O,0.3097
CCC1N2CC2(C)C1=O,0.2175
CC1(C)OCC2OCC12,0.3157
OC(CNC=O)C=O,0.2065
CCC12NC1CC2(C)O,0.2956
C#CC1=NCCCCO1,0.2156
NC1(CC1)C1(CO1)C#N,0.2515
CC1(C#N)C2NC(=O)C12,0.2375
ON=C1C2COCC1N2,0.25
COc1cnc(o1)C=O,0.1667
C1OC2C=CCC=CC12,0.2303
C#CC#CCOCC=O,0.2189
CC1CCC(C)(O1)C=O,0.212
CC1CCC2(O)CC12O,0.2929
CC12CC3(C)C1CC23O,0.3177
CC1OC2C(C)(C)C12O,0.2817
CCC1(COC1)C(C)C,0.313
OCC1COC1C1CN1,0.3098
CCC1COCO1,0.34
CNC(CO)(C=O)C#N,0.22
O=CC1CCCC11CN1,0.2199
CN1CC1CC(C)(C)O,0.2815
COC1OC(C)C2NC12,0.3143
OC12CCC1OC21CC1,0.2983
CCC(CC1CO1)C#N,0.3093
CC12CC(O)C1C(=O)C2,0.2177
OCC1COC2CCC12,0.311
CC(C)C1(CC1)C1OC1,0.3413
CC(=O)C12CC(N1)C=C2,0.2178
OC1C2C3OC3(C#N)C12,0.2708
CN=C1N2CC2C11CN1,0.241
O=CC1N=COC11CC1,0.2046
OC12C=CCC1OC2=N,0.2504
CC(=O)C1CC1CC#C,0.2282
CC12CCC1=CC(=O)N2,0.2119
CC1(O)CC1C1CCC1,0.3201
C1C2(CO1)COC2=O,0.2595
ON=C1CC2C(O)C12,0.2438
CC12CC1C=CC(=O)N2,0.2033
C1CC2OCCCC2=C1,0.2484
O=C1CC2CC2N1,0.266
C1CC(=NO)C(=C1)C#N,0.176
O=C1NC2CCCCC12,0.2741
Cc1c2c(c[nH]1)onn2,0.1687
OCC1CCC(CO)O1,0.3201
CC1NC(C#C)C1=NO,0.2353
CCC1(O)CC1C=O,0.226
CC1(CO1)C1=NON=N1,0.2108
CC1(C)C2N1C1CC21O,0.2768
CCC(O)(CC#N)C#C,0.2928
OC1CCC2=C1C=NO2,0.2387
OCC1CC2C3CC1C23,0.3284
O=CN1CC2CC(=O)C12,0.1954
N=C1C=CNC=NC1=N,0.1829
C1C(CC1=O)C(=O)N,0.2273
CCNC1C2NC2C1=O,0.1984
COCC1OC(=N)C1C,0.2874
O=CC12COC1CO2,0.2061
C1NC11CN2CC3C2C13,0.2994
O=CC1(CC2NC12)C=O,0.1945
CN1CC(C1)C#CC=O,0.1688
CCC1NC1(CO)C=O,0.2218
C1NC2C3OC12C1NC31,0.2894
c1c(onn1)CN2CC2,0.2251
CNC(=O)NCC1CC1,0.3035
CN=C1OC(=O)CC1N,0.2451
CC1C2CC3N2CC13O,0.2939
CC1OC2CC12O,0.3012
NC1=NC2CC2CC1=O,0.1592
OCC1NC11CC(=O)C1,0.2165
CC1COC2CC(=O)C12,0.2099
c1c(nno1)C2COC2,0.2149
CCC(=O)c1cnon1,0.1947
NC1(C([NH3+])C1O)C([O-])=O,0.2682
OC1CC1C1=CC=CN1,0.2363
CC(=NO)C(C)(C)C#N,0.2519
C1OC2OC3C4NC13C24,0.3
C#CC1=CCCC=CC1,0.2106
OC1CC=CC=CC1,0.1909
OCC1(OC1C#C)C=O,0.2054
CC1NC(=O)C1N(C)C,0.2496
c1c(c(no1)C#N)C=O,0.1985
CC(=O)NC1CN2CC12,0.2687
CC12CCOC(=O)C1N2,0.2534
CCCC(=O)CCC=O,0.2279
OCCC1CC2OC2C1,0.3364
CC(=N)Nc1ncco1,0.2188
N#CC#CCC1CO1,0.2403
c1c(=O)ncoc1F,0.2113
CC12COC1(C)C(=N)O2,0.2663
CCC(=O)CC(=O)C,0.2095
CC1(O)C2OCCOC12,0.2992
C1NC11C2COC1C=C2,0.2344
CC1(CO)CCC2CC12,0.3221
O=COC1CC2NC2C1,0.2636
CCC(C)OC,0.3341
CC(O)C1=NC(C)=CN1,0.2468
CC12NC1C(N)=CC2=O,0.1922
CC12CC(=CC1N2)C#N,0.1943
CC12C(O)C1OC2=N,0.2634
O=C1CC2OC3(CC3)C12,0.2098
c1c(nc([nH]1)CC#N)O,0.2227
OC1CC2C3N2C1C3=O,0.2249
CC1CC(O1)C1CCC1,0.3243
CCOC12CCC1CC2,0.319
CN1CC1(C)C1CCO1,0.3032
CN1CC1C1=CNC=C1,0.2401
OCC1C(OC1=O)C#N,0.2727
CC1CC(CO)NC1=O,0.2735
OC1CCC11CC=CC1,0.2647
CC(C)OCC1CC1,0.3328
CCC1C2CN2C1C#N,0.2627
C1C2C1C1C2C1N1CC1,0.2866
C1CC11OC2C3CN3C12,0.279
OC12CC3CCC1C2O3,0.2893
CC1CC2(CCC12)C#N,0.3038
CCC1(C)N=CNC1=O,0.2294
CC1COC1=NCC#N,0.2768
C(C#CCO)C#CC=O,0.1974
CC1C2OC(C)(C#N)C12,0.2637
O=C1NCCCC11CN1,0.2661
OC12CC3C4CN3C1C24,0.293
C1NC11CCC=CC=C1,0.1824
C1COC(=O)C=CC=C1,0.1796
CC(=O)Oc1ncno1,0.2612
CCC1CC2C1OC2=N,0.2844
CCCC1CCNC1=O,0.2693
CN1C(=N)CCCC1=O,0.242
CN=C1CC2CCC2O1,0.2736
CC1C2C3CN2C1C3=O,0.2062
CCN1CCC1C#N,0.2538
CCc1c(onn1)N,0.2085
CC1=CC(=NO1)C1CN1,0.2266
OC1CCOC2CC2C1,0.3149
C1C2NC1C21CN=CO1,0.2556
CC(O)CC1=NON=N1,0.217
CC(O)C1=NC(C)CO1,0.2695
CC(CO)C1(CO)CN1,0.3032
CNC(=O)C(C)C(C)C,0.2781
NC(=O)OC1CCC1=O,0.2182
O=C1CC2CCC=CC12,0.2093
OC1CC2=CCC(O)C12,0.2488
OCCCC12CCC1O2,0.3223
CN(C)C(=O)OCC#C,0.2684
c1c(nnn1C=O)C#N,0.2007
CC1(CC(N)=O)CCO1,0.2682
CC12C3C(CN13)OC2=O,0.2537
CCCC1C(C)C1C#C,0.2875
Cc1c(c(no1)N)NC,0.2349
COC1CC2CC(C2)O1,0.3386
OCC12OCC1CC2=O,0.1974
CC(=O)CC=O,0.2124
ON=C1CC2OC1C2O,0.2461
CCC12CC1C1(C)NC21,0.2814
OCCC12C3CN1CC23,0.3024
CC1CN=C(CC#C)O1,0.2659
OC1CC2(CC2)CC1O,0.3151
CC12CC1C(C2)NC=O,0.2766
CCC1C(=O)CC1(C)C,0.2203
OC12CC1CNC2C#N,0.2699
CC(O)C1C2C3CC1N23,0.3013
OC1(CC1C#C)C1CN1,0.2649
CCC#CC1CO1,0.2735
CNC(=O)CC#C,0.2772
O=C1CC2OCC2=C1,0.1907
C1CC1C1CC2OC2C1,0.3446
OCC1C2CC3C2C13O,0.2835
CC1OC2C(OC=O)C12,0.2631
N#CC1(CCC1)C1CN1,0.2854
Cc1c(c(c[nH]1)N)C#C,0.1999
CC1=NCC(CO1)C#C,0.2664
CC1C2(C)CCCC12C,0.3235
COC1(C)C(C)C1C#N,0.2881
CN=c1cncccn1,0.1602
CC(=O)C12CC(C1)C2O,0.2201
C#CC12CC3OCC1C23,0.2733
C1CC1C1C2CC1C=C2,0.2403
OC(C#N)C1COC=N1,0.264
CC1(O)C2OC1C2C#N,0.2817
C#CCc1c[nH]nn1,0.2518
CCC1(C)CC(C)C1O,0.3095
N1C2C1C1OC1C1OC21,0.3067
OCC1COC1C#C,0.271
CCC1COC(=N)C1=O,0.186
CC1C2C3C1C(C#C)N23,0.2654
COC1CC=CC1,0.2682
N1=CC2=C(N3CC2C3)O1,0.2218
c1cc([nH]c1N2CC2)O,0.2286
CC1CC11CCC(C)=C1,0.2423
NC=[NH+]CC(C=O)=N[O-],0.1599
OC1C(CC=O)C1C#C,0.2227
O=C1CC2CC1C2C#C,0.2238
CN1N=NOC(=O)C1=N,0.2012
OC1CCC=CCC1=O,0.218
CC1CC2C1C2(C)C#C,0.2915
CC1(C)C2C3CN2C13C,0.3074
CNC(=O)CCN1CC1,0.2646
CC1CCC11CC1CO,0.331
CC1N2CC1(O)C2C=O,0.2156
CCC(C)OC(=N)CO,0.2926
CC1COC(=N)C(=N)O1,0.2178
N#CC1CNC1C1CO1,0.2671
CC1C=C(C)CN1C=O,0.2453
CC1C2C3NC3C(C)N12,0.2788
COCC1CC(C)C1O,0.3108
CCN1CCOC(=N)C1,0.2498
CC12C3C4C3C1(O)C24,0.2889
CC(N)C(=O)OCC#N,0.2473
CNC(=O)C1(CC1)O,0.272
CNC(=O)c1ccoc1,0.2206
CC1(CC2CN2C1)C=O,0.2131
C1Cn2c1nc(c2O)O,0.2049
CCC1COC2C(O)C12,0.3099
CCNC(C)C(=O)C#N,0.1614
C#CC12CC1C1CCC21,0.2571
OCC1CCC11CC1O,0.3214
O=CNC1C2CC=CC12,0.2322
O=C1CN2C1CNC2=O,0.2136
C1C2C3C1OCCN23,0.3056
CC1CCOC11CC1,0.3063
NC1(CC2CC1C2)C#N,0.2998
CC1C2C3CN2C1C3O,0.2974
CCNC1(CCC1)C#N,0.2664
CC12COC3C(CC13)C2,0.3161
CC(CC=O)C1CCO1,0.2283
N=C1OCCCOCO1,0.2902
CCCCN1CC(=O)C1,0.2064
CC1NC11COC1=N,0.2686
C1CC(=NC2CC2)OC1,0.254
CC1N2C(=O)C=CC12C,0.1949
CCC1CC2(CO2)C1,0.3341
CC1CC(C#C)C1=NO,0.2464
CC1(CC#C)CC=CC1,0.2636
OC(C#C)C(C=O)C#C,0.2174
CC1C2C=CC3N2C13C,0.211
COCC(C=O)C(C)O,0.2178
CNC(=O)C1(CN1)C#C,0.2612
C#CC1CC2NC12C#C,0.2509
CC12CC(O1)C(=N)OC2,0.2692
CCC(CC)CC(=O)C,0.2341
C1CC2C1C1CC=CC21,0.2575
N=C1OCCOCCO1,0.2861
CC1(CO)CC2NC2C1,0.3052
CC1CN1C(N)=O,0.2879
C(CC(=O)N)COC=O,0.2674
[NH3+]C(CO)C(O)C([O-])=O,0.2649
CC1(CC(O)C1)C1CO1,0.3305
CCc1ccc(o1)CC,0.2276
CC1OC23CC(C2)C13C,0.2969
CC#CC1C2C3C1CN23,0.2812
c1cncnc1C#N,0.1918
CCN=c1[nH]c(no1)C,0.2235
CC(C)(CCCC#C)O,0.3108
CC1C2CC1C(CO)C2,0.34
C#Cc1conc1C#N,0.2014
CC1=CC(=O)NC1=O,0.179
N#CC1C2OCC3C2N13,0.2598
OC1=CC(=N)C(O)=NN1,0.1791
CC1OC11C(O)CC1O,0.2952
O=CC1CC2(CN2)C=C1,0.2077
CCOC1(CC1)C,0.3337
CC1CCC2=COC=C12,0.2346
CC12CNC1=CC(=O)C2,0.2044
CCOC12CC1CC2,0.3382
CCC(C)C1CC2OC12,0.3266
CCC12CN(C1)CCO2,0.2853
OC1C=C2CC3C1C23,0.1806
c1c2c(on1)CCC2=O,0.2134
CC1CC(N=CO1)C#C,0.2675
Cc1c([nH]cc1N)C,0.2267
CC1CN1C(=O)CC#N,0.2478
CC1(C2(CC2)CCO1)C,0.3186
CC1CC1CNC=O,0.2803
C1C2C3C4C5C4C(C23)C15,0.3202
CC(O)C1=NC=CN=N1,0.1648
C1CN(C1=O)C(=O)N,0.2498
CC1=CC(CC1)C1CC1,0.2584
CCC(O)CCN1CC1,0.3021
OC1C=CC2=NOC=C12,0.2101
CC1=C(N)ON=NC1=O,0.1987
CN1CC(=O)C1C1CC1,0.2073
N#CC1OC11C2CC1O2,0.2499
CC1C2CC(=O)C(C)C12,0.2234
OC1CCC1CC1CC1,0.3255
CC1(CNCC(=O)O1)C,0.2422
C#CCCCCCO,0.3166
C#CC1CN2C=CN=C12,0.2495
CC1OCC(CO1)C#N,0.3029
CCC1OC2C3CC1C23,0.3127
c1cncnc1N(=O)=O,0.1776
c1nc(on1)NCCO,0.2399
CNCC#N,0.2698
C1CN2C1CC21COC1,0.2761
CC1CCC1C(C)(C)O,0.3185
CC(=O)C(=O)C#CC=O,0.1508
N#CC1C2CC=CC12,0.247
O=C1CC2CCNC2=C1,0.209
O=C1CC(CCO1)C#N,0.2655
COC12CC(C1)C2,0.3441
C#CC(=N)NC(=N)C#N,0.1911
CCC1CC1(CC)OC,0.3243
OCCC1CC=CCO1,0.2674
COC1(CCC1)CC#C,0.2949
c1cnc2c(n1)cn[nH]2,0.186
CC(C)Cn1cccn1,0.2621
c1c(ocn1)C2CC2,0.23
CC(=O)CN1C2CC1C2,0.2185
N=C1NC(CC1=O)C#C,0.18
OC1CCC1(O)CC=O,0.2184
OC12CC3OC1C=CC23,0.2439
CC(C#N)C(C)C#N,0.338
CC12OC1COC2=O,0.2524
C1CC1C1CC1N1CC1,0.3132
CCCC1(C)CC1C#N,0.3105
OCC12CCC(O1)C2=O,0.23
O=CC1OC(=O)N2CC12,0.2186
OC1CC1C1CC=CC1,0.2646
CCC1(CC1)C(C)C#N,0.3182
COC(=O)NC(=N)C#C,0.2205
NC1(CCC2OC12)C#N,0.2886
CCOCC(C)(N)C#N,0.2875
CC1C2CC(=O)C1C2O,0.2235
CCN=C1NC(=O)CO1,0.2425
C[NH2+]CC1=C([O-])C=NO1,0.2124
O=CC12C3CC1C(=O)N23,0.2115
Cc1c(cnn1C)O,0.2297
N#CC1CCN2CCC12,0.2618
O=CC1C(C#C)C2CN12,0.2122
CCN1C(=O)CN=C1N,0.2335
O=C1NC2CC2C2NC12,0.2513
CC1C2C=CC(=O)N12,0.1952
CC1(NCC1=NO)C=O,0.1949
O=CC1CC2OCC=C12,0.2068
CC(OC=O)C1COC1,0.2607
NC(=O)C(CC=O)C=O,0.2117
CCc1conc1NC,0.2294
c1c(cc(=O)oc1N)N,0.1853
CC1C(CC11CN1)=NO,0.2456
CC12OC1CCC2C#N,0.3073
COCC(O)C(C)C=O,0.2263
OCC(=O)C1CCC1O,0.2223
O=CC12CCC(CO1)C2,0.2227
CC12CC3CN1C2C3O,0.3003
c1c(c([nH]c1N)O)C=O,0.1754
OCC1=CC2NC1C2=O,0.2355
Cc1c(nn(n1)C)C#C,0.2156
OCC1NC1C1CCC1,0.3165
CCC(O)C1NC1CC,0.3141
CC1OCCC1(O)C#C,0.2731
C1c2c(nn[nH]2)NC=N1,0.2032
NC1=C(N)C(=O)ON=N1,0.1465
CC1C2CC1C2(O)CO,0.3074
CN1C2CC1(C)CC2=O,0.2084
CC1C2CC=CC2C1=O,0.2052
C1CC23C4C5C(N24)C35O1,0.2598
CC1(C)OC2CC1(O)C2,0.3029
OC12C3OC3C1CC2=O,0.2086
CN(C)c1n[nH]c(=O)o1,0.2449
C(C(=O)N)C(=O)NC=N,0.2175
C1C(CN1C=O)C=O,0.2082
OC12CC1(OCC2)C#C,0.2606
O=CC1=CC2OCC1O2,0.184
CCC1OCC1CCO,0.3161
CC1(C)CCC2CC2O1,0.311
CC1CC(C#N)C1(C)O,0.3002
CC1N(C)C11COC1C,0.2986
CC(=O)C12CC1C1NC21,0.2063
CC12CC(C)(C=C1)C2=O,0.2418
CC12CC3OC(C1)C23O,0.3041
Cc1cc(c(cn1)O)O,0.2172
OC1C2C(=O)C1C21CN1,0.2532
OC12CC3C(NC13)C2=O,0.2037
CCc1cnc(=O)[nH]n1,0.1701
CC1(C)C2C3CN2C13,0.3101
C1CN(C=N1)C(=O)N,0.2308
C1C(=O)C=C(C1=O)C=O,0.1283
OC1CC1(O)C(F)(F)F,0.3001
COC1CCC=C1C#N,0.2134
C1CC12COCC23CC3,0.3172
CN1CC11CCC1C#N,0.2744
N#CC12CC(O1)C=C2,0.236
CC(=O)NCC(=O)C#N,0.1629
C1C2CCC=C3CCC123,0.236
OC1C2CC(=O)C1O2,0.2113
OCC1CNCC(=O)C1,0.1968
COC(C)C#CC=O,0.2052
OCC12CC1CC1CC21,0.3131
CC1(CO)CC(CO)C1,0.3321
CC1CC2C3OC2(C)C13,0.2996
CCC(=NO)CCOC,0.2532
CC1CC(CO)CCO1,0.3183
OC1C2OCOC1C2=O,0.1888
CC12CCC3(CN3)C1O2,0.3196
CCc1coc(c1O)C,0.2242
CC1C2OC1(C)C(C)=C2,0.2353
CC(=O)NCC1COC1,0.2739
CC1OCC=C1C#N,0.2055
NC1=NCC2OC2C1O,0.2477
CC12OC1C1OCC=C21,0.2278
COc1c(nc[nH]1)OC,0.2185
OCC1(CC2CN12)C#N,0.271
CCC(O)C1(C)CN1C,0.289
OC(CC#C)C=O,0.2247
CC1COCC1C=O,0.2202
CNc1cc(cnc1)O,0.1926
O=CC1C=CC2NC12,0.2087
C(CCC=O)CCC=O,0.2249
COCCCN1CC1,0.3196
OCC1CC=CC(O)C1,0.2577
CC1NC(=O)OC1C#C,0.278
CC1C2C(C)C1(C)C2C,0.3622
C1C2OC3CC12OCC3,0.3029
CC1C(C)C1CCO,0.3371
CCC1C(O)C11COC1,0.2995
CC1OC1C12CC1OC2,0.3032
O=CC12OCC3C1OC23,0.2059
c1c(c[nH]c1C=O)CO,0.1812
NC12C(O)CC1OC2=O,0.2432
c1c(=O)c(n[nH]c1N)N,0.1865
c1c2c([nH]c1O)OCC2,0.2268
OCCOC1C2CC1O2,0.3109
CC(O)C1=C(O)NC=N1,0.2373
N#CC1OC2C3OC3C12,0.2725
CCC1CCC1C#C,0.3021
CC(=O)C12NC3C1NC23,0.2111
CN1CC1(CCO)C#N,0.2753
CC1C2CC1C2(C)CO,0.335
CC(C)(C)CC1CCC1,0.3518
CC12C=CC3(O)CN1C23,0.2225
CC1OCC(C)(C)C1C,0.3096
COCCC#CCC#N,0.2801
CN(C)CC(=O)CC#N,0.2027
Cc1c(nno1)C(=O)C,0.2054
CN1C2C1C1C2C1(C)O,0.2696
N#CC12CN3CC1C2C3,0.2909
CC(C)C1NC1C=O,0.2213
C#CCCN=C(C=O)N,0.183
COC12COC1CCC2,0.3176
CC1N=C2CCN2C1=N,0.2232
COC1=COC(=N)N=C1,0.1505
CN1CC2=CC(O)CC12,0.2262
CC12CC(C)(CCC1)O2,0.3129
CN=C1OCCC1C#N,0.2625
CC(O)C1=COC=C1O,0.2347
CC1CN2C3C(O)C2C13,0.328
O=CC1OC1C(=O)C#N,0.1617
CC(C)OC1CC(O)C1,0.3205
CCC1(C)C2NC2C1=O,0.2142
CC#Cc1nc(co1)N,0.1751
CC(C#C)C12CC1OC2,0.281
CC1OC2(CC12)C(N)=O,0.2583
CC1C2CC3C(O2)C13O,0.2912
c1c(c(c(o1)N)N)C=O,0.1633
CCC#CC(=NO)C,0.2031
OC1CC=C2CCC12,0.2471
O=C1OC2CC1(C2)C#C,0.266
CC1=NN(C=O)C(=N)N1,0.1977
O=CCN1CC2NC2C1,0.199
N=C1NC(=O)NC2CC12,0.2523
CC12C3C1C1CC3C21,0.3294
C1C2COC3CCC12O3,0.3204
CCc1conc1OC,0.2511
CN=C1C=C(CCO1)N,0.197
O=C1COCCC11CN1,0.2113
CC(C)C1CC(C1)C#N,0.3328
CC1C2COC3CN2C13,0.2938
NC(C#N)C1(O)CC1O,0.2857
CC1OC(C=O)C1(C)C,0.2118
C1NC23COC12C1NC31,0.2598
N=C1OC2C3CCC2C13,0.2797
CC1CC2=CCC(=O)N12,0.2075
CCC1C=C2CC3C2N13,0.1665
O=CNC1C2CC1O2,0.2714
CC1CCCC2CC1C2,0.3562
OCC12OC1C(O)C2=O,0.1943
O=C1C2CC3C2C=CC13,0.2004
CCC1=C(C)C2CC1C2,0.232
CC1(CN1)C(CO)CO,0.3061
C1COCOCCC1=O,0.2229
CCC12CC3OC1C2O3,0.325
OC1(C2CN2)C2CCC12,0.2907
c1c2c(on1)CCO2,0.2043
OC1C2C3C4CCC13N24,0.2953
OC1CC11OCOC1=O,0.2485
CCOc1c[nH]nc1C,0.2371
CC1=CC2CCC2OC1,0.2545
CC1CCC(C)OCO1,0.3318
CC1CCOC1C#N,0.2955
OCC12NC1CC2C#C,0.2867
CC1CC2C1OCC2O,0.314
C1CCC(=CC1)C2CC2,0.2542
[NH3+]C1(CCC=C1)C([O-])=O,0.2349
O=CC1CC2CNC2=N1,0.2102
C1CCC(=CC1)CO,0.2614
OC(C#N)C1=CN=NN1,0.244
CCC1C(CC)C1CO,0.3219
c1c(=O)c(coc1N)N,0.1893
C1CN1CC(=O)C(=N)N,0.1806
C1CC2CC3OC(C2)C13,0.3063
CC(O)C(C#N)C1CO1,0.3055
CNc1c(ocn1)C=O,0.1691
CC1CCCCC1CO,0.3398
CC(C)c1cncn1C,0.2467
CCOc1nc(co1)N,0.2288
O=C(C#C)C1COC1=O,0.2016
CC1C2(C)CCC12C#N,0.2779
C1C(=O)CC12CO2,0.2171
CC1(OC2CC12)C1CO1,0.3147
CNC1CCOC1=O,0.245
CN=C1NC=NCC1O,0.225
OCC12COCCC1O2,0.329
[NH3+]C1CC2=CC(=O)O[C-]12,0.1783
CC(O)C#CCC1CC1,0.2899
O=C1CC2CN2C=C1,0.1846
CC1CNC(=NC1)C#N,0.2077
CC(=O)n1ccnc1O,0.1734
c1cnc2cocc2n1,0.1437
CC1CC2OC(=O)C12O,0.2622
CNC(=O)c1ccc[nH]1,0.2054
CC1(C)C2COC1OC2,0.3257
CC(OC=O)C1CO1,0.2773
CC1CC2C1OCC2=O,0.2142
COC1CCCC(=N)O1,0.2889
CC1C2CC1(O)CC=C2,0.2531
CCc1c(n[nH]c1O)N,0.2418
CC12C3OC1(C)COC23,0.2879
OC1CC(O)C1O,0.2998
CC1=CCC=CC=C1C,0.189
N#CC1CCCC1C#N,0.332
CC1CCC2NC(=O)C12,0.2763
CC1CNC(=O)C1C#N,0.2617
CCC#CCC=O,0.219
O=C1CC2CC1(O2)C#N,0.2137
OC1(COC2CC12)C=O,0.2041
Cc1ncn(n1)CC#N,0.2571
CCC1(NC1(C)C)C#N,0.2792
CCC1=NCC(OC)O1,0.2807
OC1C2OC2C1(O)C#N,0.2709
c1nc(n(n1)C=O)N,0.199
CC(=NO)C(O)CC#N,0.2523
OC1C2OCC1(O)CO2,0.3083
OC1C(=O)CCC11CC1,0.2217
O=C1C2CC3NC3C1N2,0.2354
CC1CC2CCOC1O2,0.3249
ON=C1C2CC1OCO2,0.2446
Cc1c(=O)[nH]c(cn1)N,0.1662
CC(=O)C1OC11COC1,0.2212
CC1(NC1C1CO1)C#C,0.2723
CC(=O)CC1(COC1)O,0.2135
Cc1cn(cc1C=O)C,0.1936
CCCC1(C)CC1O,0.333
CC(C)OCCCC#N,0.2989
CC1CN(C=O)C1=N,0.2293
CN1C(=N)OC(C)=C1O,0.2205
COCC1(CN1)C#N,0.2883
CC1(CN(C1=O)C=O)C,0.2168
OCCCC(CO)C#N,0.3002
CC1OC11CC2C(O)C12,0.3121
CC1CC(O)C1C(N)=O,0.2606
NC(=O)N1CC2OC2C1,0.2952
CC1(O)CCC1C#N,0.3042
C1OC23CC(C2)CC13,0.3242
CN1CC2OCC12C#C,0.235
NC1COCOC1C#N,0.2615
c1cc(oc1)C2CCC2,0.23
CN=C1NC2(C)CC2O1,0.2697
C1C2C3C4CC(C1O4)N23,0.3219
CC(C=O)C1C(C)C1O,0.2014
NC1CC1(OC=O)C#N,0.2347
c1cc(=O)oc(c1O)O,0.1532
CCC12OC1CC2=NO,0.2494
C1CN(C(=N1)C=O)C=O,0.1884
CC1COCC(=O)CN1,0.1992
CC1C2CC1C(=O)CO2,0.2277
CN=c1cc(nc[nH]1)F,0.1738
CC1C2CC(C2O)C1O,0.3153
CC(C)(C)OC(=O)C#C,0.2337
C[NH2+]CC[N-]C(=O)C#N,0.1334
CCCOC(CO)C#N,0.2984
CC1C(C)C(=O)OC1=N,0.2624
C1OC23CCC4C2N4C13,0.2944
CC1OC11C2CC1C2=O,0.2509
OCC1OC2C1CC2=O,0.1999
CC12CCC1COC2,0.3307
Cc1nc(c(n1C)O)N,0.2307
CC(CO)C1=NC=NN1,0.2663
c1c(c2n(n1)CC=C2)O,0.175
CC1C(O)CN2CC12C,0.2845
CC1CC1C1=CN=NN1,0.245
Cc1cccnc(=O)n1,0.1609
COC(=N)N1C=CC=N1,0.2364
c1n[nH]c(=O)n1C=O,0.1999
CC(C(O)C#N)C(C)=O,0.2293
CC1OC2CC2OC1=N,0.2693
CN1CCc2c1coc2,0.2135
CCOC(=O)CC#CC,0.2589
CC12C3C1C1(C)C2C31C,0.3001
CC1C2NC(C#C)C12O,0.2502
COc1cc(on1)OC,0.2499
OC12C3C1N1C3C=CC21,0.2113
NC1C(C#N)C1N1CC1,0.2692
CC12CC1C1=CCCC21,0.2404
CC12CC3C(CCC1)C23,0.3295
CC1(C(C(O1)(C)C)O)C,0.3008
CC#CC1CC1C(C)O,0.2837
CN1CC(C#N)C1C#C,0.2503
CC12OCC(O1)C1CC21,0.3356
CC(=NCC#C)NC=O,0.2302
CC(=O)c1ccncc1,0.1843
CCC1(NCC=C1)C#N,0.2313
O=CC1=CC2C3OC1C23,0.1801
CCC12CC(C1)C2,0.3778
CC1NC(C=O)=NC1C,0.1645
CC12CC3(C)C(CC13)O2,0.3292
C1C2C3C4COCC13C24,0.3376
CC(O)C1CC1C1CO1,0.3302
CCC#CC(=O)C1CC1,0.2066
OC12CCC(O)(C1)C=C2,0.2595
CCC1(C)C2CC1C2C,0.3659
N=C1COCOCCO1,0.2711
O=CN1CC=CC1C#C,0.2413
CC1CN2CC(O)C2=N1,0.2421
CC(C)C1CC1C(N)=O,0.2676
CC(O)C12OC3C1NC23,0.29
C#CCC12CC(CC1)O2,0.2955
C#CC1CCC2CC12,0.3108
COCCC(=O)CC#N,0.2288
ON=C1CC2OC2C1=O,0.1671
CC12C3CC1C3C2C=O,0.2181
CC#CC1(O)COC1=O,0.2423
CCC1OC(C)C1O,0.302
CCN=C1CN=CN1,0.2204
CC1C2CC1(O)C2(C)O,0.3139
C(C=O)C#CC(=O)N,0.2172
CC(C)N1CC1C(N)=O,0.2386
CC1CC2=CC(C)CC12,0.2453
OC1C2CC1(C2)OC=N,0.2806
COCc1c[nH]nc1O,0.2479
N=COC1CC1C#C,0.2647
CC12C3C1C1C3C21CO,0.279
OCC12CC1(O)C1OC21,0.3048
O=CC#CC1OCC1=O,0.1966
C1OC23C4C5C(C12)C3N45,0.2832
C1CC2(C1)COCOC2,0.3357
OC1C2CCCCC12,0.3099
CC1CC2CC1C2CO,0.3385
C(C=O)OCC#CCO,0.2282
COC1C2C3CC3(C)C12,0.3352
CNC(=O)C(C)CC#N,0.2742
O=CN1C2CC3OC3C12,0.2635
CC1CC1C1CC=CC1,0.2647
N=C1OC2CC=CC2=C1,0.1789
O=C1CNCC2CN12,0.2237
CCCC(C)CC#C,0.3137
CC1(C)CC2C1OC2=N,0.2844
CC(O)C(=N)N(C)C=O,0.2375
COC(=O)N1CCN=C1,0.2357
CC12CC3C(C=O)C1N23,0.2092
c1cnn2c(n1)cnn2,0.1591
CN1C(C#C)C(O)C1=O,0.2548
CC1C(O)C11CCC=C1,0.2444
COC1C2C(O)C2C1=O,0.2108
C1OCC23CN=CN2C13,0.2379
COCC1(C)CN2CC12,0.3108
O=C1COCC(C1)C#C,0.2103
CC#CCC1(CO1)C=O,0.2098
CC1=NC(=CN1)C1CN1,0.2319
CN=C1CN=C(N1)OC,0.2354
C1CC1(C=O)NCC#N,0.2169
CC12OC(=N)C3C1CC23,0.275
O=CC1C2CC3(CC3)C12,0.2175
O=C1CC23CC12NC=N3,0.2146
c1c(nc(o1)N)OC=O,0.2141
OC1CC23CC=CC12O3,0.2311
CC1NC1COC=O,0.2765
ON=C1C2CC1C=CC2,0.2447
OC1C(O)C2(CO2)C1O,0.2778
CCC1(C)OC2CC12O,0.2974
C1CC2C3C4CC3C24C1,0.3449
OC12CC(C=C1)C2C#C,0.2358
OC1CC11CC(O)C1,0.305
CCOC1=NCC2NC12,0.2642
OCC1C=CCOC=N1,0.2491
OCC1(O)C2C3OC2C13,0.2814
C#CCNC(=O)CC=O,0.2226
CN(C)C(=O)CNC=O,0.2589
C1C(CC1=O)C=O,0.226
CC1CC2C3CC2C13O,0.326
C(C(=O)N(C=O)C=O)N,0.2077
CCC1(C)CC2CC12C,0.3236
CCC1(CC1)C(O)C#N,0.3067
CC(O)C#CC(C)=O,0.2083
C#CCNC(C#C)C#N,0.2558
C(COC=O)C#CC=O,0.2042
CC(C)C(C)C1CO1,0.3439
CCC1COCCC1C,0.3169
C#CC1OC2(CC12)C#N,0.2412
O=CC#CC1CNC1=O,0.1968
C1OC2CCOC1C=C2,0.2413
CC(O)CCOC(C)=O,0.2848
CN1C2C1C1(C)OCC21,0.2869
CC1C(OC1=O)C(N)=O,0.2578
CCc1c([nH]c(n1)O)N,0.2463
FC1=NC(=N)C=CO1,0.2132
CC1(O)CC2N=COC12,0.2622
C(#N)C(=O)C(F)(F)F,0.2058
NC(=O)C1CCC2NC12,0.2704
CC(C)(C)CC(O)C#C,0.2951
CC(CO)C1(C)CC1O,0.3194
CC(CO)C(O)C=O,0.2244
CCOc1c(nc[nH]1)C,0.243
CCC(O)C(F)(F)F,0.3599
CCC1CCC1C(C)O,0.3226
CC1COCC=C1,0.2649
OC1C=CC2(O)CCC12,0.249
c1nc2c(o1)OCCN2,0.2085
COC(C)CN1CC1,0.3253
OC1C2NCC(=O)OC12,0.2411
CC(O)C1(CO)CCC1,0.3225
C1CC(C1)(CCCO)O,0.3268
C1CN1CC#CC=O,0.1928
c1(c(n[nH]n1)N)C(=N)N,0.2003
CC1NC1C1CC(=O)N1,0.2829
CC(C)C(C)(C=O)C=O,0.1935
N=C1NC(CO1)C#N,0.2566
Cn1c2c(nn1)OCO2,0.2082
O=C(CC1CO1)C1CN1,0.228
C1CC11OCCC11CN1,0.3
CC1=Cn2c(cnn2)C1,0.2082
CC(C)CC1(CC1)C,0.3385
N=C1N(CC11CN1)C=O,0.2254
O=C1COCCC2CN12,0.2369
OC1CC(=O)N2CCC12,0.2577
CC#CC(O)CO,0.2787
CN1C2C1C1(CO1)C2O,0.3039
CN1C(=N)CC=CC1=O,0.1956
CC1=NC(C=O)C(=O)N1,0.2136
CC1CC2(CN2)C1C=O,0.2114
COCC(C)(CO)C#N,0.3063
OCC12COCC1C2O,0.3103
N#CC1=CCC2NC2C1,0.2201
COC1(C)CNC1C#N,0.2637
CC1(O)C=CC(O)C1O,0.2528
CCC12CC3N1CC23C,0.3142
O=CCC12C3CC1CN23,0.2122
CC(=O)OC(C=O)C#C,0.2243
OCC1C2CC1(O)CC2,0.3243
O=C1CC2(CCN12)C#N,0.2392
O=CNCC1CC2NC12,0.2635
OC1C(OC=O)C1C=O,0.2124
Cc1c(cc([nH]1)O)OC,0.2264
CC1C2CCC(O2)C1O,0.3056
CC1OC23CC(C2O)C13,0.3007
CC(O)C1=CCC2CC12,0.2455
COC(C)C(O)C=O,0.2302
CC(O)C1=NC=CC=C1,0.2155
OC1C(O)C11OCC1O,0.2684
CC1(CCCN1)C#N,0.2834
COC(C)C(C)CC#N,0.3003
CC(C)CCCC(C)C,0.3778
CNc1c(nc([nH]1)O)O,0.2382
Cc1cc(c(=O)on1)N,0.1752
CC1(O)C2OC1C2(C)O,0.307
CC1(C)C2CC(=O)C12O,0.2271
CC1=CC2CC1CC2=O,0.2058
c1nc2c(o1)CCC2,0.2312
OC1C2OC1C1CC2C1,0.3168
CC1OCCCC2OC12,0.3287
COC1C2C3OCC1C23,0.3032
CN1C2C1C1CC2C1O,0.293
C1C2C3CC(C4OC34)N12,0.3123
COC(=O)C(=O)OC,0.2106
O=COC1OCC2OC12,0.2795
CC(O)CCC(=O)C#N,0.2017
O=C1C2C3OC1COC23,0.2076
OC1CC2COCC2=C1,0.2486
CN1C(CC=O)C1C#N,0.2171
CN=COC(C)C1CN1,0.2646
CC1CC1(N)C(N)C#N,0.2693
CC1(CC(C1)C#C)C#C,0.2868
OC(COCC=O)C#N,0.2294
OC1COC(=O)C2NC12,0.2525
CC1OC2=NCCCC12,0.2697
CC1OC(CO)C1C=O,0.2116
OC1=CNC(=N)O1,0.2344
c1c[nH]nc1NC(=O)N,0.2368
C#Cc1c(cco1)C=O,0.1704
NC(=O)C1(CO1)C#N,0.252
CC1OCC(O1)C1CC1,0.3385
CC1CC=CCO1,0.2671
N=COCC12CN(C1)C2,0.2515
OC12CCC1(O)C=CC2,0.2611
CC1=NNC(=O)NC1=N,0.1963
c1coc(=O)c(=O)cn1,0.1508
CCC12CC3C1C2C3C,0.3295
CCCOCCC#N,0.3054
OC1CC(C#C)C11CO1,0.2876
CCOCC1NC1C,0.3246
OC1CC23CC4C2C1C34,0.3343
CC(C)c1cc([nH]c1)O,0.2439
OC1C2CC(C2)CC1=O,0.2205
Cc1c(cn2c1CC2)O,0.2271
ON=C1C2C(O)C1C2O,0.2647
CC1OC1(C#C)C1CC1,0.2819
CC(=N)OCCNC=O,0.2807
Cc1c(n[nH]n1)C(=O)C,0.2033
CCC(O)C#CCCO,0.2909
CC12COC3CC1CC23,0.3184
Cc1cccc(n1)CO,0.2231
OC12CC1C1(OC21)C=O,0.1991
CC1N=CN(C=N)C1=N,0.2136
CCCC(=O)C#CC#N,0.1854
CC(O)C1COCCO1,0.317
CC(=NO)C(C)(O)CO,0.246
CCC1(C)C(C)N1C,0.2886
CC12CC(C)(C)C1O2,0.3332
COC1C2NC2C2OC12,0.2922
CC12CC3C1C3(O)C2O,0.3105
CCC(=O)NC(=O)CO,0.225
c1cc2n(c1N)CCO2,0.2282
CCN1CCC1CC#N,0.2594
O=CC(OC1CC1)C#C,0.216
CC1CC(CC=O)C=C1,0.2232
CCC1CC=CC1C,0.2637
OC1C2CCC(=O)OC12,0.2689
CC1CC(C)C1NC=O,0.2761
Cc1c(nc([nH]1)OC)O,0.2314
CC1CC2(CO2)C1O,0.3209
OC12CC3CN(C1)C23,0.2746
O=C1CCC2CCC=C12,0.182
CC1OC2CC2C1=NO,0.2353
C1C2CC3C4C2N4CC13,0.3149
OC(C=O)C12CC(C1)O2,0.2061
CC(O)C1(CO1)C1CC1,0.3202
CC1CC(C=O)C1O,0.213
CC12C3OC(C)(C13)C2=O,0.2248
CC1C(O)CCCC1O,0.2988
CCC#CC(C)CO,0.3022
CC12OC3CC1(O)C23C,0.2766
CC1CC(O)C(C)CO1,0.3231
CC12C3C4C1OCC2N34,0.3095
CC1(CN1)C1=CN=NO1,0.2235
CC1(CCO1)C(O)C#C,0.2897
O=C1CC2C3CCN3C12,0.1793
OC12CC3C1NC23C=O,0.2115
CCCCCC1CCO1,0.3293
O=C1CCCC1C#N,0.2175
C(=O)n1nc(c(n1)O)N,0.1828
CC1C2C3N(C)C2C13C,0.2912
CN1CC1(C#C)C(C)=O,0.2102
CN1CC11C2CC1(C)O2,0.3171
OC1COCC2CC12O,0.3076
O=C1CC2C3C1CN23,0.2185
CC1CC2(CC(=O)C2)O1,0.2132
CC1=CCC=CCC=C1,0.1919
CC12COC1(CO2)C#C,0.2541
CC1C2CC1(O)C2C#N,0.3018
CCCC(=O)C(O)C#C,0.2262
CC(C#C)(C#C)NC=O,0.2658
CC(CCO)C(N)=O,0.2761
CC1C2C=CCCC12O,0.2447
CC1NC11CCC1C#C,0.278
C1C2OC1C21CC=CC1,0.2616
O=C1NC23CC12C=CC3,0.2387
CC1C2CC2C1OC=N,0.2804
CC1(OCC11CO1)C=O,0.2109
CC1CC(C1)NC=O,0.2797
CC1C2CCCC1(C)O2,0.3111
OC1C(O)C11CNC1=O,0.2688
C1OC1C12CC1CC2,0.3278
CCNc1c(n[nH]n1)C,0.2159
CC1(C)OC(C#N)C1N,0.2594
N#CCC1COC=N1,0.2709
C1C(CO1)(CC=O)C=O,0.2213
O=C1OC2C=CCNC12,0.2231
CC(CC1CO1)C(C)=O,0.2302
C1CC(=NO)C2(C1)CC2,0.2372
CCC1=CCC2(O)CC12,0.2447
N#CC1CCC(C1)C#N,0.3364
CC(=O)C12CC1CC2=O,0.217
CC1OC2(C)COC1C2,0.3242
O=C1C2OC2CC1C#N,0.2089
C1C2(COCO1)CO2,0.3314
c1cc([nH]c1N)OC=O,0.1931
CN1C2CC1C(=O)C2,0.2093
Cc1cc([nH]c1CO)O,0.2261
CCCC1(C)CN1C,0.2989
CCCC(C)C#CCO,0.276
CC(O)C1=NCC(C)O1,0.2739
NC1=C(O)C=CC(=N)O1,0.1548
CC1OCC2N(C)C12C,0.2994
C1CN2C3COCC1C23,0.3044
OCC1CN(C=O)C1=N,0.2273
c1c2c(on1)NC(=O)C2,0.209
CC12C3CC1(C)OC23,0.3121
N=C1OCC2C3OC1C23,0.2593
C1CC2C1C1OCC=C21,0.2292
CC1C=CC2NC2C1C,0.2438
CN(C)C(=O)NC=N,0.2501
COC1CNC11COC1,0.292
c1c(n[nH]n1)C#N,0.2411
C#CCCCC#CC#N,0.2331
CCc1cnc(nn1)N,0.1651
CC1=CCc2c1cn[nH]2,0.2057
CN=C1CNCC(=O)N1,0.2173
O=CCC1CC1C#C,0.2219
CC1(C)C2C(=O)CC12C,0.2289
O=C1CC2CN2C(=O)C1,0.2192
CC#CCC1OC1C=O,0.2116
COCC(C)C(N)C#N,0.2827
NC(C#C)C1(CN1)C#N,0.2757
OCCC(=O)C1CC1O,0.2192
CC1CC(C=O)C(=O)O1,0.2242
CC1CC(O1)=NCCO,0.2637
O=C1OC2CCC1O2,0.2676
CC1C2OCC12NC=O,0.252
OCC12OC1CNC2=O,0.2503
C1CC12CC=CC23CC3,0.2446
Cc1coc(c1O)OC,0.2227
CC1CC2OCOC2=N1,0.2719
CCC1CC(C#N)C1O,0.2981
O=CCC1=CCC2CC12,0.2006
CC12NC1(CO)CC2=O,0.2213
CC1OCCC1(C)C=O,0.2216
O=C1NC(CC#N)CO1,0.2892
CC#CC(C)(O)C(C)O,0.2863
OC(C=O)C(=O)C1CN1,0.1974
CC(=O)C1C2CC1C2O,0.2252
COCC(C=O)C(C)=O,0.2048
CN1CC1C1=CON=C1,0.2157
CC(O)C1(CN1C)C#C,0.2698
CC(C#C)C(=O)C1CO1,0.2117
c1cc(n(c1)C(=O)N)N,0.1761
C1C2CC1C=CC=C2,0.1793
CC(C)CCC(C)O,0.3344
Cn1c(cnc1N)C#N,0.1985
CCC(=O)NC(=O)N,0.2434
Cc1c(n(c(n1)O)C)C,0.2436
CC1CC2C3CC3CC12,0.3254
N=C1OC2(CC1C2)C#C,0.2749
CC1=CCOC2CC12,0.2466
CCOC1CC(C1)=NO,0.2486
N=COCC#CCC=O,0.2227
COC12COC(C1)OC2,0.3192
CCC1(C)C2OC=NC12,0.2509
CC1C(O)CC1CC#C,0.313
CNc1c(cccn1)N,0.1919
CC12CC(C=C1)C2C#C,0.2357
CC1CC(C)C(C)=C1,0.2581
C#CC1=CCNC(=O)N1,0.188
FC1=C(F)C(=N)NN=C1,0.1653
N=C1COC2CC3C2N13,0.2494
N#CC1CC2CCN1C2,0.2667
N#CC1C2C(CN12)C#N,0.2684
C(=O)C#CC#CC#N,0.1661
O=C1NC2(CC2)C2NC12,0.2503
OC1C2COC12CC#C,0.2792
CCCC(OCC)C#C,0.3012
CCC1=CC(O)CCC1,0.2508
CC#CC1OC1C#N,0.2545
O=C1C2NC2C11CCC1,0.2147
Cc1cnc(nc1)OC,0.2048
NC1C(C#N)C1C#N,0.2532
CC1CCOC(C)(C)C1,0.3206
CC(O)C(O)C1CC1C,0.3113
CCN=C1CC(CC)O1,0.2776
CC1OC2C3NC3C12,0.2958
O=CNC(CC#N)C#C,0.2702
c1nc(no1)OCC=O,0.2304
COc1ccc(nc1)F,0.1994
OC1C2CC2(O)C11CO1,0.312
CC#CC1(COC1)C#N,0.2755
C#CCc1c(nco1)N,0.2076
CCC1C2NC2C2NC12,0.2868
CC12OC1C1OC21C,0.2946
OCC1OCOC2CC12,0.3345
CC12CC3C(C1O)C23O,0.3031
OC1C2OC(=O)C1C=C2,0.2266
CC(C)(C#N)C1(CC1)O,0.3036
CN1C2CC2(O)C1C#N,0.2369
CC12CC=CC(O1)C2O,0.2396
CC(C)C12CC1C(C)C2,0.3256
CCC1(C)CC2NC12,0.3124
OC1C2OCCC12O,0.3041
CC1(CC#CC=O)CO1,0.2049
OC12CC1(O)C(=O)OC2,0.2548
OCC1C2N1CC2=O,0.2201
CC1OCCCC1CO,0.3157
CC12NC1C1N=COC21,0.2603
CC1NC11COC1CO,0.2963
O=COCC1C2CN1C2,0.2569
CC(C)(C)CC#N,0.3453
OC1C=CC(O)C11CN1,0.2325
CN1CC(N)C1C#N,0.2544
NC1=C(OC=N)N=CO1,0.2056
CC#CC(=O)C,0.2082
CCOCC1CN1CC,0.2971
CC1CN2C1C=CC2=O,0.2059
CCCC1CC1(C)C=O,0.2271
CC1CC(O)C1(C)C#C,0.293
CCCOCCC=O,0.2283
c1c(coc1N)CO,0.2234
CC(O)(C#N)C(O)C#N,0.2875
CCN=C1NC2CC12O,0.2332
O=CCC1(CC#C)CN1,0.215
OCCC1C2C3C1CN23,0.3112
c1[nH]c2c(n1)COC2=O,0.2192
C(C#CC=O)C#CC=O,0.2035
CCc1cnc(=O)on1,0.1671
OC12CN3CC1OCC23,0.2948
OC(CC1CCO1)C#C,0.2758
CC1CC2C(CO)CC12,0.3335
[O-]C(=O)C12CN1C(=[NH2+])C2,0.1376
C1C=C(COC1=O)C=O,0.1955
OCC12OCC1C2C#N,0.284
C1NC11C2NC1C1OC21,0.2973
C1OC2C3CC(O3)C=C12,0.2272
CN=C1OCCNC1C,0.2537
CCC(O)C1CC1O,0.3129
C1CC1NC2=NCCO2,0.2788
C(=N)NC(=N)C(=O)N,0.2077
c1cnoc1C2(CC2)O,0.231
COC(C)CC1CC1C,0.3333
CCC12CC(C)(C1)C=C2,0.2376
c1c(c([nH]c(=O)n1)N)F,0.1715
NC12C3CC1OC2=NC3,0.2059
CC1CC(C)(C#N)C1=O,0.2146
CCC1CC2=NC=CN12,0.2555
CC12C3CC1CC23C#C,0.2682
CCC1OC2CC1C2=O,0.2074
OC1(C=O)C2CC1C2=O,0.1958
C1C2OC11CC3NC3C21,0.2944
OCC1C2OCC12C#N,0.2697
CC1(O)C2OC2C11CN1,0.2995
COC1C2CC2C1C=O,0.2151
c1c(nc2n1C=CC2)O,0.1777
CC1C2OC1C2(N)C#N,0.2801
CC1(O)CCC1C=O,0.2198
CCC1(NC1CO)C=O,0.2265
C1C2CC3CC(CN12)O3,0.2947
C1C2CC3(COC=N3)C12,0.2659
OC1C2OC2CNC1=O,0.2777
Cc1coc(=O)c(n1)N,0.1634
CN1CC2(O)CC(=O)C12,0.1952
Cn1c(cnn1)C#N,0.2234
CC#Cc1nnn(n1)C,0.218
CCC(C)(C#N)C#N,0.325
CCC1C2C3C1C2C3=O,0.2482
CCCCC1(CO1)C#N,0.3017
CC1C2C3C=CC1C23C,0.2349
CC12COCC3CC1C23,0.3248
C(C#CCO)C(=O)C#N,0.1755
CC(=O)C1C2C3CN2C13,0.2139
COc1c(cn[nH]1)C=O,0.2093
CCC1NC(C=C1)C#N,0.2343
CN=CN1CCNC1=O,0.2417
C1COC(=N1)C#N,0.2192
CC(C)C1CCC1C#N,0.329
c1c(c(n[nH]1)O)N,0.2228
CC(C#N)C1NC1C#C,0.2852
COC12CC1(C)C(C)C2,0.3304
CC12CC(C1CO)C2=O,0.2483
CC1CCCCC1(C)C,0.3587
COC12CC1CC21CC1,0.3255
CC12CC1C1OC2C1=O,0.2389
c1c(=O)cc(oc1F)F,0.211
CC1CN=C2C(O)CN12,0.2404
OC1C2(O)CNC12C#C,0.2368
C1CC2(O1)C1CC2O1,0.3109
CC1=CCc2c1cc[nH]2,0.1961
CC(CO)CC(O)C=O,0.2316
O=C1C2NC2C1C1CN1,0.2089
c1c(c(no1)O)OC=O,0.2415
CC1(C)NC1(C)CO,0.2967
CC1=CCCCC1=NO,0.1976
CC#CC(N)(C#C)C#N,0.2539
CC(O)C(C)C(C)C#C,0.3089
Cc1c([nH]nc1OC)N,0.2441
c1cn(cc1N)C=O,0.1714
CC1(CC(O1)C#N)C#C,0.2688
CC1CC(=O)C1OC=O,0.2118
C1C2CC3C4CC2C1C34,0.3363
OC1CNC1(C=O)C=O,0.188
CCC12CC(C)=CC1N2,0.231
CCC1(CN1)C(O)C=O,0.2182
COCCCN=COC,0.2716
OC1C2CCC1C(=O)N2,0.2692
C(C=O)C(=O)CNC=O,0.2049
CCC1(CC1)CC(C)C,0.337
OC1CC2CC2C2OC12,0.3293
CC(C#N)N1CC1C=O,0.2026
CC12CC1OC21CC1O,0.286
N=C1C=NC(=O)OC=N1,0.1971
OCC1CCC1(O)C=O,0.2105
CCC(=O)C1CNC1=O,0.2282
O=CCOC(=O)C1CN1,0.2297
C(#N)c1c(n[nH]n1)C#N,0.2332
CCC1(C)C(CO)N1C,0.2811
COc1cc(cnc1)F,0.2099
CCN=C1OC2C(O)C12,0.2594
CC1=CCC(C1)(C)C,0.2603
CC1C(OC=N)C1C=O,0.2206
CC(C)c1ccc([nH]1)N,0.2301
CC1(CC2(O1)CCC2)C,0.311
O=C1NC2C1CC21CN1,0.2687
C1CC1C(=O)C(=O)C#N,0.1501
O=C1COC=NC1C#C,0.1986
CC(=O)CCC=O,0.2285
CCCN=c1ocno1,0.2311
CC1CC2OC12C1CN1,0.3081
CC1(CCOC1)C(N)=O,0.2735
CCNc1coc(=O)[nH]1,0.2367
CCOCC(=O)OCC,0.2789
O=C1CCOC2CCC12,0.2177
CCCC(O)CC#CC,0.2938
CC1CC2(CC12C)C#N,0.2815
OC12CC1(CCC2)C#N,0.2771
CCC12CN(C1)C2,0.3015
CC1C(O)CC1(C)CO,0.316
OC1C2NC1(C=C2)C#C,0.2304
OC1CCC1OC=O,0.2715
C(=O)c1c(n[nH]n1)N,0.1827
CN=C1OCC1CCO,0.2783
CC1OC(=O)C2(N)CC12,0.2564
CC1C=CC2OC12C,0.2452
COCC1CCC1=NO,0.2434
CNc1nc(on1)CO,0.2228
CCOC12CC(C1)C2=O,0.2367
CC(=N)OC(=O)C(C)=O,0.1809
CC(=O)N(C=O)C=O,0.2125
Cc1c(c(n[nH]1)C)O,0.2315
CC(CO)C1CC1(C)O,0.3234
CCC1OCOCC1C,0.339
NC1(CNC1=[NH2+])C([O-])=O,0.2256
OCC1OC1(C=O)C#C,0.2108
NC(=O)C1C=CCC1O,0.2432
C#CC1OC2C3CC1C23,0.2694
NC1=NNC(=N)C=C1F,0.1504
O=C1CNC2C3CN3C12,0.198
CC(=O)C1(O)CC1(C)C,0.2203
O=CC1CC2C3CC2C13,0.2261
OC1COCC1CC#N,0.2936
C1CC1C1=CCC2OC12,0.2322
CC1(C)CCC(CO)C1,0.3409
CC1C2OCC1(C)C2=O,0.206
CC12CC1OCCCC2,0.3169
CC1=CC(=N)NC1=O,0.1913
O=C1CC2(CCN12)C#C,0.2375
C#CCn1cc(cn1)O,0.2296
[NH3+]CC1(CN1)C([O-])=O,0.2669
CC1CC(CO)(C1)C#N,0.3031
CC12CC1CC(=O)C2,0.2234
CC1C2C3C2C1C3C,0.3412
OC12COC1C(=O)CC2,0.2016
N=C1NCC(=O)C1C#N,0.1995
c1cnc-2nccoc12,0.1426
CCC(OC)C=O,0.2135
OC12COC1C1OC1C2,0.3004
C#CCCC1=NCCO1,0.271
CCC(C#C)C1(C)CC1,0.311
CC1=CCOC1C1CC1,0.2497
N=C1C=NOC(=N1)C#N,0.1901
OC1C2OC2(C=O)C1=O,0.1865
CCC1COC(C1)C=O,0.2156
CC1CN1C1CC1C#N,0.2509
CN(C)C1(CCC1)C#N,0.2629
CC1CC2=CCCC2O1,0.2545
CC1OC(=O)C1N,0.2499
CC(=O)C(=O)CC#C,0.1558
N=C1OC(=O)NCC=C1,0.215
CCOC1CC2CC12,0.3284
C(C#CCO)NC=O,0.2715
CC(=NO)COCC#C,0.248
CNc1c(con1)N,0.2252
N#CC1CC2(CN2)CO1,0.2781
O=CC(=O)C1CC(=O)O1,0.1527
O=C1NC2C(OC12)C#C,0.2429
COc1nc(on1)CO,0.2458
O=C1C=CCNC1C#N,0.1805
COC1C=CC2NC12C,0.2314
CC1OC(C)C(O1)C#C,0.2876
CCC1C(C)CC1(C)C,0.3439
OC1C2C(C#N)N2C1=O,0.22
CC1CNC=CC(=O)C1,0.1837
CN1C2COCC2C1=O,0.2747
CC(O)C(=O)C1NC1C,0.2238
c1c([nH]nn1)NCC=O,0.1815
OCC1C=CC(O)C1=O,0.2212
CC1C2N3CC3C12C,0.2844
CC(C)c1ccccc1,0.2402
O=CC12CC1NC(=O)C2,0.2185
c1c(c(=O)ocn1)F,0.1916
Cc1c(=O)ccoc1O,0.2027
COC1OC2CC1(C)C2,0.3404
CN1CC12COCOC2,0.3088
CNC1=NC(CO)CO1,0.269
CC1(CC(=O)CO1)C=O,0.2079
O=C1CC2C1CC21CO1,0.2185
C1C2OC3=NCCCC123,0.2705
CCc1c([nH]nn1)N,0.2304
O=C1C2C3CC1C23C#N,0.2376
CC12CC3(CCC13)CO2,0.2972
CCc1c(c(co1)C)N,0.2198
NC1=NC2C(N1)C2C#N,0.2531
CCC(C)C(=O)C#C,0.2043
CCCC12CN3CC1C23,0.3002
CC(CC(O)C#N)=NO,0.2465
C(C#CC(C=O)C=O)O,0.2059
CCC1C2CC3C2N13,0.3274
CN1C2C3OC3C1C2=O,0.219
O=C1NCC1C#C,0.2697
c1cnc(c(c1F)N)O,0.202
OC1CN2CC2C1=O,0.2062
CC(O)CC1C2COC12,0.3037
OC1C2C3N2C1C31CN1,0.2952
Cn1ncc(n1)NC=O,0.2213
C1CC1OC1C2CC1C2,0.3352
CNc1ccc(o1)NC,0.2127
OCCC1=CCCC1O,0.257
C#CC12CC(C1)C=C2,0.2394
[NH3+]CC1=C([O-])C=CO1,0.1712
CC1OC(CC1O)C#N,0.2876
OC1CC11CCN2CC12,0.3004
CC(O)C(O)COC=O,0.2799
C(C(=O)N)NC(=N)C#N,0.1862
CC(=O)C1(C)OC1(C)C,0.2201
N#CC1CC2CC2O1,0.2746
CC12CCCC1C1OC21,0.3339
C1N2C3CC4CC2C13C4,0.291
CC1COC2=C1ON=N2,0.1837
OC1CC(O)C1CC#C,0.3029
COCC1CC2(C)CN12,0.3131
c1c(c2c([nH]1)COC2)O,0.233
C1CC12CN(C2)CC#N,0.2569
OC12CC3CC1CC2C3,0.3212
CC12CCC1C1(CC1)O2,0.2989
CN(C)c1coc(n1)O,0.2221
N#CC1=C2CCC2OC1,0.1995
OC(C=O)C1CC1,0.229
COC1CN=C(N)C1O,0.254
CCC#CC,0.3033
N=C1OCCN1CC#N,0.2618
CC1CC(=O)C2CCC12,0.2164
CCN=COCCOC,0.2759
CC1OC(=O)C=CC=C1,0.1767
OCC1(CC(=O)O1)C#N,0.2806
N#CCNC1CC=CC1,0.257
c1cc(=O)nc(nc1)N,0.157
C#Cc1c(nc([nH]1)O)O,0.1982
CC1CC2CC(O)C12,0.314
O=C1NCC23CC12CC3,0.2557
C1N2C3C4C5C2C13CN45,0.2953
CC1CN1C1CC1(C)C,0.3104
CNC1CC(=O)OC1=N,0.2291
NC1=NOC=NC1=N,0.1923
CCc1cnoc1N,0.2244
CC1CCOC=NC1,0.2601
CC#CC1C2CC3C2N13,0.2679
CC1C2CC11OC=NC21,0.2602
CC#CC1C2C3OC1C23,0.2727
OC1C2NC1C(O)C2O,0.2838
OCCC(C=O)C1CO1,0.2196
N=C1CC(=O)C=CCO1,0.1894
O=C1NC23COC2CC13,0.2629
OC1C2C3C4N2C1C34O,0.2833
CCOC1CCC1CO,0.3216
C1CC1CCOCCO,0.344
CNc1cnc(cn1)F,0.1678
O=C1CC2CC3C(C2)C13,0.2239
CC1C2C(CC1O)N2C,0.2875
O=C1CC2CN12,0.2378
C#CC1C2NC1C21NC1,0.2848
CNc1cc(c[nH]1)O,0.2271
CC1(O)C2CC2(O)C1=O,0.2296
OCCC1CC2COC12,0.3133
Cc1cnnn1CC#C,0.2485
c1nc(n(n1)C=O)C=O,0.1796
CC(CO)OC(C)C#N,0.2852
C(CCCO)CCC#N,0.3068
Cc1coc2c1onc2,0.204
CC(CO)C(C)C#N,0.3096
COCC1(C)CC(=O)N1,0.2823
CCNC(=O)OC=N,0.2717
Cc1c[nH]cc1NC,0.2304
O=C1C2C3CC2OC1C3,0.2018
CN=C1C(=O)OCO1,0.2188
Cc1c(cn[nH]1)OC,0.227
CC(C)COCCC=O,0.2284
Cc1cnc2n1nco2,0.2031
C1C(=CC(=O)CN1)N,0.1936
CCN1CC(=N)OC1=O,0.258
CC(=O)c1nnon1,0.1862
OC12C=CC(C=C1)C2=O,0.2437
CC12C3C4OC(CN13)C24,0.2886
CCC12CC1C1OC1C2,0.3301
COCC(CC#C)OC,0.2967
c1c(oc(n1)CO)C#N,0.208
CC12CC=CC1O2,0.2467
C1CC1OC=NCC#N,0.2675
C1OC2C3C4CC(C12)N34,0.3042
CCNc1[nH]c(cn1)O,0.2343
C1C2CN1C1=C2NC=N1,0.2229
NC(=O)C(O)CC#N,0.2728
CCCOC1CC(C)C1,0.3296
CC(CO)C1CC2OC12,0.3288
CC1CC(CCO)O1,0.3237
CCN(C=O)C(=O)C=O,0.1577
CC(CC=O)C#N,0.2271
c1c(c(nc(n1)N)F)F,0.194
CC1C=CC(O)C1=NO,0.2375
OCC(=O)C1(CN1)C#C,0.2209
CC1(C)NC11CC2NC12,0.3008
CC1C2CN1C21CC1O,0.2936
c1c(c([nH]c1O)O)N,0.2208
CCC(O)C(O)COC,0.3294
CC1(C)CC1(CO)C#C,0.2892
O=CC12OC1C1COC21,0.2055
CC1=CC2(CC2)C(=O)C1,0.2148
CCOCC1(CN1)C#N,0.2869
CCN=C1OC=CN=C1,0.16
c1cnc2c[nH]cc2n1,0.1507
C1NC1C#CC1COC1,0.2702
OC12CC(C1C#C)C2=O,0.2365
CCCC1N=COC1C,0.268
OC12CN3C4C3C1OC24,0.304
CN1CC1C1CC(O)C1,0.2997
CC1=CC2OC2COC1,0.2418
NC1(CO)CC1(N)C#N,0.2661
CC(O)C(=O)C(N)=N,0.1917
O=C1NCC2C3NC3C12,0.2606
CC1=CC2(CC1N2)C=O,0.2041
CC12CCOC(=O)C1O2,0.2493
CC1C(C2CCC2)N1C,0.2859
CC1C2C=CC(=O)C12O,0.1821
CC(O)C1C2CN1C2,0.3145
CC1(COC(N)=N1)C#C,0.2691
OC12C3C1C1C3C21C#C,0.2439
OCC(O)CCCC=O,0.2281
CC1CC11CCC2CC12,0.3256
O=C1CN2CC3CC3C12,0.2019
C#CC1OC2CC1CO2,0.2836
COc1cc(no1)CO,0.2343
CCC1OCC1C,0.3249
CC1C2(C)CCC12CO,0.3038
C1C2C3OCC3CCN12,0.2897
C1OC1C12CC1OC2,0.3021
CC1(CC(O)C#N)CC1,0.2918
OC1C2OCC3CN3C12,0.2641
O=C1C2CCCCC1N2,0.2219
CC1CC2C(CC12)C#N,0.316
CC1=CCCOC1(C)C,0.2624
CC12C3OC1CC23C=O,0.2167
CCOCC1CC(=O)O1,0.2814
OCCN1CC1CC=O,0.2143
N=COCC1CC(=O)C1,0.2227
CN=C1NCC(O)C1=O,0.1767
Cn1cc(nc1N)C=O,0.1884
CCCC1(CO)NC1C,0.3051
OC12CC3CCC1C23O,0.3001
CN1CC2OC(=N)C12,0.2431
N=C1OCC2OCC12,0.2778
CC1CN(CC#N)C1C,0.2598
NC(=[NH2+])OCC([O-])=O,0.1389
C1C2C3CC=CC1OC23,0.2369
CCc1cocc1OC,0.2362
O=C1C2C3C(N13)C21CO1,0.25
c1cocc(c1=O)C=O,0.1689
CC12CC1CC(=N)OC2,0.2823
Cc1c[nH]c(c1N)O,0.2411
C(=O)C(=N)N(C=N)C=N,0.1813
C#CCC1CC=CCO1,0.2673
CC12CC(=O)C1O2,0.2164
CC1OCCC1NC=O,0.2757
OC(C#N)C1CC1O,0.2471
NC12COC1C2(O)C#N,0.2534
C1C2CC1OCCCO2,0.3023
C1C=CCC1=NO,0.2457
CC12CN1C(C)(C)C2O,0.2903
CCC1CC=CC11CO1,0.251
CC1(CC(=O)C1)C#N,0.2227
O=CCC(OC=O)C#N,0.2221
OC1=NC(=N)OC(F)=N1,0.2192
CC(C)(C)CCCO,0.3366
CCOC1C2OC1C2O,0.2949
CCN(C)c1ccno1,0.2176
CN1C2CC1(C#N)C2O,0.2324
CCC(C)COC,0.3367
O=COC(CC#N)C#C,0.2787
CC1CCC2C(O)C2O1,0.3056
CC12C3CN1C3CC2=O,0.2165
CC(=O)C1NCC1C#N,0.2193
CC(=O)C(=N)OCC=O,0.1951
CC1=CC2OC2C11CO1,0.2324
COCC1(CC1)OC,0.3351
Cc1cncc(n1)CO,0.1959
CC1CC(C#C)C1CO,0.2901
C1C2C3CC1CC23,0.3554
OC12COC1COC2=N,0.2689
OCC1COC(=N)C=C1,0.2162
CCC1COC(C)C1C,0.3148
CC1=CN=C2C(O)CN12,0.2383
CCCc1ccc([nH]1)O,0.2349
N#CC1=CC2C3NC1C23,0.1883
CC1OC1C1(CO1)C#N,0.2813
CC(C)(C=O)C(=O)C#C,0.1821
CC1OCC23CC12CC3,0.3089
CC1C(CC1=O)C1CC1,0.2202
C#CC12NC1CCC=C2,0.2344
CCCc1nccn1C,0.2452
CNC(=NC)C(=O)OC,0.1976
CC1CCC(C)C2CC12,0.3387
OCC(=O)OC(=N)C#N,0.2033
CCC1C(C)CC=C1C,0.2573
CN1CC2CC12C(C)=O,0.2044
CCC(CO)N(C)C=O,0.2694
CN(C)c1cc(n[nH]1)N,0.2362
CCOCCCCO,0.3289
C1OCC23NC12C1NC31,0.3085
CC1OCCC1C=O,0.2229
OCC#CC(=O)C1CN1,0.1961
COCC(C)CC(C)O,0.3214
CC1OC(C)C1NC=O,0.2744
O=CC12CCC3C1OC23,0.2045
C1C(=O)CN1C(=O)C=O,0.1727
CC1C2CN1C2C=O,0.2026
OC1C[NH+]2C=CC(=O)[C-]12,0.1493
CC12C(O)C1OC2C#C,0.2422
CCCC12NC1C1NC21,0.2692
C#CC(CCC#N)C#N,0.2922
CN1CC2OC(=O)C12C,0.2316
CN1CC23OC(C2O)C13,0.2616
C1CC1C1OC1C1CO1,0.3358
COC(C)C(C)(N)C#N,0.293
CC1C(OC1=O)C#C,0.2753
CN1C2C3CC2(C)C13,0.2971
CC#CC1C(O)CC1=O,0.2088
CC1CCCC(C)(O)C1,0.3278
COC1OCC=C1C,0.2611
CC(C)(C#N)C(=O)N,0.278
CCCC(O)C1(C)CO1,0.3452
C#CCN=c1[nH]cco1,0.2211
O=CNC1CC1C#C,0.2673
COC(=O)C(O)C=O,0.2226
[NH3+]CC1=NNC=C1[O-],0.2255
C1C=C2C3C4C3N1C24,0.1587
c1c-2n[nH]nnc2cn1,0.1295
CCOC1COCC1=O,0.1966
Cc1nccn1C=O,0.1904
O=C1C2CN2CC11CO1,0.202
CC1=CC2CC3C1C23O,0.2381
CN=c1ccncnc1,0.1657
C1CC11OCC2OCC12,0.319
CCCC(C)(O)CC,0.3233
CC12NC1C(O)CC2O,0.3081
C1CC11CC2CCC1C2,0.3418
CNc1cc[nH]c1C=O,0.1642
O=C1CC2CC1(N2)C#N,0.2216
C1CC11N2C3CC=C1C23,0.1693
CC1C2C3CC4C1C2C34,0.3234
C(=O)(C(=O)NC(=O)N)N,0.1965
c1ccc2c(c1)nco2,0.213
COC=NC1CC1(C)O,0.2471
O=C1OCC=CC1C#C,0.2471
CC12CCC(O)C1O2,0.3275
COC1(C)CC2OCC12,0.3138
OC1C(O)C2C1C1CN21,0.2658
COC1(C)CC1(N)C#N,0.2732
O=C1OC2CC(=O)NC12,0.2489
CCCCC1(CN1)C=O,0.2234
Cc1c(cncn1)O,0.2103
CNc1c([nH]nn1)O,0.2386
CC1NC(=O)CC(C)=C1,0.2525
N#CC1CN1,0.2851
NC(=O)C1CC2CCN12,0.2332
CC(C)(O)C(O)CC#C,0.2983
C1OC23CC4(OCC24)C13,0.2314
CC(CO)C(=N)NC=O,0.2295
CC12CCC3C1N3C2=O,0.2352
C#Cc1c(non1)C#N,0.2043
C#CC1CCC(O1)C#C,0.2845
OC12CCC(CC1)C2=O,0.2238
CC#CC1C(CO)N1C,0.2533
C1COC2(O1)CC=CC2,0.2683
OC(COC1CC1)C=O,0.2099
COC1CC2OCC1O2,0.33
COCCc1[nH]ccn1,0.2521
O=C1C2OC1C(=C2)C#N,0.2086
CCC1C(C)C1C1CC1,0.3218
CN=COCC1(C)CO1,0.2732
N=C1OC2(CCC12)C#N,0.2723
Cc1ccnn1CC#N,0.2471
CC1(C)OC(=N)C2CC12,0.2782
C1c2c(onc2N)CN1,0.2301
CN1C2C3CC2C13C,0.3022
CC1C(C)C1C(=O)C=O,0.1553
NC1=NCC2OC12C#C,0.2275
O=C1OCCC2NC12,0.2496
CC1C2NC2C1C1CO1,0.307
CC(O)C12NC1C1NC21,0.2582
C(C#N)N=c1[nH]nn[nH]1,0.2061
CC(=O)C1CC1C(N)=O,0.2025
OCC1OCC1C1CO1,0.3099
CC1(CO)CN1CCO,0.3014
CC#CC(C)(O)C1CO1,0.2851
O=C1CC2NCC(=O)C12,0.1825
OC12CC(C=C1)C2C=O,0.2084
NC(=O)C1C2OC(=N)C12,0.2406
CC12CC(C1C#C)C2=O,0.2459
C#CC(CN)(C#N)C#N,0.2592
C1C2C1C1OC3CC2C13,0.3085
CC(C#N)C1(O)CC1C,0.3076
CC12CC1(O)C(=O)C=C2,0.1841
C1C2CCC=CC=CC12,0.2018
c1c([nH]c(=O)o1)CC=O,0.1775
CC1=CC(O)C(=O)NC1,0.2513
CC#CC12CC(C1)C2O,0.2802
CCC(=O)CCCC#C,0.2349
c1c(cn[nH]1)N2CC2,0.2273
CC1=CC(C)(C)C(O)C1,0.2587
C1C2C3C4C5OC13C5N24,0.2618
CCc1[nH]cc(n1)O,0.228
CCCC1COC(=N)O1,0.3094
CCC#CC1NC1C=O,0.2139
C(C=O)C(CO)CO,0.225
COC1C2NC2C1C,0.3017
CCC1CC(C)=CC1O,0.2571
CCC1(CO)C2CCN12,0.3143
CN1C(CO)C1CC#N,0.2644
CCCC(COC)C#C,0.3079
CC1N2C(=N)CC12C#N,0.239
CN=C1C=NOC(N)=N1,0.187
CC(C)(O)C1CCC=C1,0.258
CCC1OC11CC2OC12,0.327
Cn1c(nnc1O)O,0.2706
CC(=O)NC1COC1=O,0.2607
CCOC1CC1C(C)=O,0.2325
CC12CN1C1C(CO)C21,0.2849
CC(C)(C)C(CO)C#N,0.3081
CC1OC1C1=NNC=C1,0.2497
O=CN1C(CC1=O)C#C,0.2201
CCC(O)(COC)C#N,0.312
CC12CC1C1C(O)C21C,0.2737
CC1C2C=CC(CO)C12,0.2443
CC12CC3C1OC3(C)C2,0.3243
N#CCC1CC=CCO1,0.2676
NC1=NC(=[NH2+])[N-]C=C1O,0.1877
C1OC11CNC11COC1,0.2984
CCOc1c[nH]cc1N,0.2321
CC12CC1(C)C(O)C2,0.3139
C#Cc1cc(=O)nc[nH]1,0.1749
CC(C)n1cc(cn1)N,0.2235
C1CC2(CC2)C=C1C#N,0.204
Cc1nc(c(o1)N)OC,0.2109
OC1=CC(=N)N=CN1,0.1919
CC12CC3C(C1)C23C#C,0.259
Cc1c(ncn1C)NC,0.2095
C(c1[nH]c(=O)[nH]n1)O,0.2307
C1CN1C2(COC2)C=O,0.1918
C1CC2C3CC=CC23C1,0.2385
CN=C(C#C)N(C)C=O,0.2033
ON=C1C2CC3CC1N23,0.2242
CCCCc1cnc[nH]1,0.2485
N=C1NCC(=O)C11CO1,0.1887
CN(C)c1c(cn[nH]1)N,0.2198
OC1CC1C1COC1=O,0.2315
CC12CC1NC(=N2)C#N,0.1975
C1NC11CC2(CO2)C=C1,0.225
CC1COC1(C)C1CO1,0.3213
CC1CC1(CCO)C#N,0.3007
CC12CC1COC2=N,0.2811
CC12CC(=O)N1C2C#C,0.2298
OCC(COC=O)C#N,0.2838
CNC12CC1(O)CC2=O,0.2086
CC1(CCC1)OCC#C,0.287
C#CCn1cc[nH]c1=O,0.2293
CC1OC2(CC12C)C#C,0.2442
CC1CC2(C)CC1C2=O,0.2277
N#CC1C2CC1C2=O,0.252
CCCOCC1CCC1,0.3393
CC1=CC(NC1)C#N,0.2381
NC(=O)C(OC=N)C=O,0.2104
CC#CCC#CCC=O,0.2174
CCC1(CO1)C1(C)CN1,0.3213
CC#CCC1CC(C)O1,0.2928
C1OC2C3NC4C3NC124,0.27
CNC(=O)C1CC(O)C1,0.2553
OC12CC(C1)C1CC21,0.3218
CN(CC1CN1)C(C)=O,0.2681
CC1OC1C1CC1C#C,0.2887
CCC1OC(=O)C=C1N,0.2226
CC(O)C(C=O)C(C)O,0.216
CC#CC(=NO)COC,0.2073
N=C1N=NON=C1C#N,0.1721
COCC(=O)C1CO1,0.2097
ON=C1CC(C1)C1CO1,0.2504
OCC(O)C(CO)CO,0.2987
O=C1C=CC2CC12C#N,0.1882
CCC12CC(N1)C2=NO,0.2641
CC1CC2C=CC1C=C2,0.238
CCC1OC2(CC2)C1O,0.2969
N=C1OCC2=C1C=NO2,0.2245
c1c(n2c(n1)[nH]nn2)N,0.1903
CC12CCC1(CO2)C=O,0.2126
Cc1c(c(no1)N)OC,0.2391
OC1CC1C1CCC1O,0.3176
O=C1CC2CC2N=CO1,0.2336
CC12OC(=N)C3CC1C23,0.2692
NC1(CNCC=C1)C#N,0.2239
c1c(n[nH]n1)C=O,0.198
CCC(NC=[NH2+])C([O-])=O,0.2574
C1OC2C3COCC1C23,0.3005
c1c(nco1)NC=N,0.214
O=C1COCC2(CN2)C1,0.213
CC1(CN1)C1=COC=N1,0.2372
CCC1NC1(C)C(C)O,0.3072
O=CC12C3C1C1CC3C21,0.2176
CCC1OCCC1C,0.3218
OCC1(C#N)C2COC12,0.2799
CC1CC2(C1)C1COC21,0.3046
CC(O)C#CCNC=O,0.2718
CN=C1C(=O)CC=CN1,0.1588
OC12C3C1N1CC2(O)C31,0.2694
CC1(COC(=O)N1)C,0.3136
CC1=CC(C)(CC1)C#N,0.2553
C(=N)N(C=N)C(=N)C#N,0.1944
CN1C=CN(C=O)C1=N,0.1697
CC1NC11CC(O)C1,0.3118
OC1C2C3C1C=CC23O,0.2317
CN1C(=O)C2(C)CC12C,0.2457
OC1=CNC=NC1=N,0.1891
CCC1(C)CCC=C1,0.2625
CC(C=O)C1=NOC=C1,0.2187
CCc1ncc(o1)OC,0.2292
CC(O)C1OCC1C=O,0.2239
CCN(C)C1COC1=N,0.2392
CC1CC23CC4N2CC134,0.2538
O=CN1C2CC1C2C#C,0.2508
O=CC1C2C3OC2C13,0.219
CC12CN1C=NC2C#C,0.2437
O=C1CC2NC11CNC21,0.2205
CC1(O)CC1C(N)C#N,0.2828
CC1=C(C#C)C2NC2C1,0.1995
CC1(CN=C(N)O1)C#C,0.2522
CC12CCC=C1CC2O,0.2408
CC(C=O)(C#N)C(N)=O,0.217
O=C1CNC2CC12C#C,0.1962
OC1CNC11CCC1=O,0.1985
NC(=O)CC1CC(=N)O1,0.262
CC12OCC1(O)CC=C2,0.2507
C1c2c(non2)N=CO1,0.2075
CCC12CC(O)C1N2,0.3144
CCC1(C)OCC1(C)C,0.3139
CCOC1(C)CC1OC,0.3174
[NH3+][C-]1C=CC2=C1N=NO2,0.154
C1CC=C(C1)CN2CC2,0.2552
c1c([nH]nc1N)CCO,0.2318
C1CCNC(=O)NC1,0.2949
CC(C)C(O)CCC#N,0.3215
CCOC(C)CC1CO1,0.3302
C1OC2C3C4COC3C124,0.2975
COCC(C)CCC#C,0.312
CCCN1CC1COC,0.2971
CC1OC1(C=O)C(N)=O,0.1983
Cc1c[nH]c(c1C#N)N,0.2104
C1C2OC1C13CN(C1)C23,0.2761
CCOC1C2CC=CC12,0.2417
OCC12CN1C1(CC1)C2,0.2979
CC(=O)c1conc1N,0.1808
CCN1CC(C)C1C=O,0.196
CC(C)(CO)C#C,0.3127
c1cnc(cc1N)C#N,0.1956
OC1CN2C1=NCC2=O,0.2252
CC1=CCC2OC12CO,0.2455
C1C2CCCOCC12,0.3282
O=C1C2C3OC4C3C1C24,0.2309
CC12CC=C3C4C1N4C23,0.1605
CCC(C)C(C#N)C#N,0.3241
CC1OC2C1C2(O)C#N,0.2627
CC12CC(O)C3CC1C23,0.3218
COCC12CC1OCC2,0.3122
CC1C2CC(C2)OC1=O,0.268
CC1(C)OC(C=O)C=C1,0.2028
CC(=O)C1C2NC1C2=O,0.2261
CNC1C(C)NC1C#N,0.248
CC1C2NC(CO)=NC12,0.2384
O=CCC1CN1C=O,0.2191
COCC(=O)OC(C)=N,0.2583
OC12CC(C1)CC21CC1,0.3181
c1c2c([nH]n1)nc[nH]2,0.2184
CN=C1C=NN(C)C=N1,0.1733
CC(O)(CCC#C)C#N,0.2828
CC12CC3CC1OC3O2,0.3464
CC(C)(C)C1CC1C=O,0.2261
COc1cnccc1O,0.2217
C1CCC2(C1)CCCC2,0.3628
C1C2C3C4C5CC14C2N35,0.283
C(C(=O)N)C(=O)NC=O,0.2064
CC1C2C3CN(C23)C1=O,0.2295
COCC12NC1CC2C,0.2955
CC1CC2C(O1)C2(C)C,0.3103
COC(C)CC(C)C#N,0.3075
CN1C(=O)CN=C1N,0.2336
OC1CC11CN2CC12,0.2965
CC(OCC#N)C#C,0.2734
Cn1ccc(n1)OC=O,0.2411
c1coc2c1C(=O)C=C2,0.1258
CC1C2C3C(C#C)C1N23,0.2857
CCCC1CCN=CO1,0.2732
COC(C)C1C(O)C1O,0.2923
CCC12C3C4C(C13)N24,0.281
CCC(C)C(O)C(N)=O,0.2756
CC1C2CC2N1C(C)=O,0.2586
OCC(CO)C(O)C#C,0.2721
C1OC23C4CC2OC13C4,0.2748
CC1CC(C#N)C1=NO,0.2456
CCCN=C(C(=O)N)N,0.2136
CC1=C(N)C(=N)OC=N1,0.1639
CCC1N2CCC12CO,0.3094
C(c1c(c(no1)N)N)O,0.2134
CNCC(C=O)C#N,0.1874
OC1CC1(O)CN1CC1,0.3059
CC(C)OC(C)(C)C#C,0.2928
C#CC1C2C3C4C2C1N34,0.2769
CC(=NO)C(C)(C)CO,0.2529
CC1(C)NC1C(=O)CO,0.2238
CCCC1CC1CC=O,0.2256
CC1(CNC1=O)OC=O,0.264
OCC1N=COC1C#N,0.255
CC1CC(C)C1C1CO1,0.3353
CC(O)C(=O)C1CC1O,0.216
CNC1=CC(=O)C2CC12,0.1954
Cc1cc(cnc1F)F,0.2125
c1nc(no1)C#CC#N,0.2004
CC1(CN1CC#N)C,0.2755
CNC(=O)C(C)C#N,0.278
c1c-2cncc2nc[nH]1,0.1375
OC(C#N)C12CC1CC2,0.2845
OC12CC3(OC1C23)C#N,0.238
C1Oc2c(oc(n2)N)O1,0.1928
CCC1CC2NC2C1O,0.3058
C#CC1=CC(=O)CNC1,0.1589
OC1C2N3CC1C23C=O,0.2182
C#CC1C2OC1C21CC1,0.2798
C1C(=O)CC1(C=O)C=O,0.2168
CN1C=NC(=N)N=C1F,0.1995
CC1CC(=O)C1CCO,0.2196
CCC#CCCC1CO1,0.2996
Cn1c(cccc1=O)O,0.1794
CC1=NC=C(N)C(=N)O1,0.1662
C1C(N=CN1)(C=O)C=O,0.1732
C1C2CCOC3CN1C23,0.274
CC(C)C(=O)N,0.278
CC12CC1(CO2)C#C,0.2604
CC1C2CC2(C)NC1=O,0.2618
CC1C2C3CC1C(C)N23,0.3215
CC1C2OC1(C)C2(C)C,0.316
COCC(C)C#N,0.3096
CC(NC(=O)C=O)C#C,0.1745
OCC1CC2(CN12)C=O,0.2141
CC1=CC(F)=NOC1=N,0.1677
CC(C)C1CC(CO)O1,0.313
CC12OC1C1C2OC1=O,0.2683
CN1C=NC(=N)C(C)=C1,0.1897
C1CC1OCCC#N,0.2959
CCc1c(nnn1C)O,0.2209
C1CC(C1)C(F)(F)F,0.3994
CC(CC1OC1C)C=O,0.2295
CCN1C2COC2C1=O,0.2489
c1nnn(n1)CCO,0.2625
O=C1N2CC2CC2CN12,0.2655
O=C1NC2CN3CC3C12,0.2521
CC1C2CC(C)(O2)C1O,0.3221
COC1(CC1)C1NC1,0.3199
CC(C)C1CC(C)C1=O,0.2175
C1CC23C1(CC2)CC3,0.293
CC1OC1C1(CC1)C#C,0.2881
COC(=O)C(=O)NC=N,0.1854
COCC1(CC1O)C=O,0.2267
C(CCC#N)CCO,0.3089
CCC1COC(=O)OC1,0.3193
C(CC(F)(F)F)C(=O)N,0.2814
CC(CO)OCCC#C,0.3095
CC1C2C3CC3C1C2C,0.334
C1CC(=CCC=C1)C#N,0.214
OCC1CC2(O)CC1C2,0.3264
C#CC12CC3C1C=CC23,0.2187
CC(C#C)(C#C)OC=O,0.2634
CNc1c(cno1)C=O,0.1955
O=CC1OC2COC1C2,0.2198
c1c[nH]c2c1COC2=O,0.2124
c1c(oc(=O)n1C=O)O,0.1913
CC1=C(CC=CCC1)C,0.2401
O=C1NC=NC2CC2O1,0.2359
OC1C2C1C(=O)NC2=N,0.2377
c1c2c(co1)OC=NC2,0.2267
CC1(NCC1O)C#N,0.2768
CC12C3CC(CC1=O)C23,0.2227
CC1(C=O)C2CC1O2,0.207
CC12CCC1(O)C1CC21,0.3112
CC(C)c1cnc([nH]1)O,0.2465
C1C2OC3CCCC2C13,0.3154
CC12COC(C1)C(=N)O2,0.2728
NC1=CC=C(F)OC1=N,0.1588
O=C1C2CCC(O2)C1=O,0.1381
NC1=[NH+]CC(C1)C([O-])=O,0.2644
c1c(oc(=O)o1)N=CN,0.1906
NC(=O)C1N=CN2CC12,0.2258
OC1C2NC(=O)C12C=O,0.2116
O=CC1C2C3C2N2C3C12,0.2137
C#CC1CCCOCC1,0.3005
CC1OC11C=CC2CC12,0.2384
CCCN1CC12COC2,0.3038
CC1C2OCOC(=N)C12,0.2684
CC(C)(CC=O)OC,0.2231
C1C2CN1CCOC=N2,0.2077
Cc1[nH]c(c(n1)O)C#N,0.2012
CCOc1cc(no1)C,0.2405
O=CCCC1(CO1)C=O,0.204
C1CC(C1)COCCO,0.3409
N#CC1NCC=CC=C1,0.1894
O=CN1CC2CCC2C1,0.2687
CC(=O)OCCOC,0.2798
O=CC(=O)C1COCO1,0.1467
O=CC1(C#N)C2CCN12,0.2072
CCOC(C)C(=O)CO,0.2342
CCOc1c[nH]cc1C,0.2424
C#CC1CCC1N1CC1,0.2806
CC(O)(C=O)C1CC1,0.2152
COCC12CC1N=CO2,0.2592
OC1(CC1)C1CCCO1,0.3198
N=C1OCC2=C1N=NO2,0.1681
CC(CC#N)OCC#C,0.2884
c1c[nH]c(c1C=O)C#N,0.1833
COCCC1CCC1,0.3373
CC(O)C12CC(O)C1N2,0.3121
CN=C1C(=NO)C=CN1,0.1442
c1c(non1)CO,0.2448
CCC1CC2(CN2)C=C1,0.2438
COC1C(C)CC1C=O,0.2202
C1CC1OC1OCC=C1,0.2588
COC1CC2(OC12)C#N,0.2658
CC1COC1=NCC=O,0.2241
O=COCC12CN(C1)C2,0.242
CCC1(C)C2CCC12C,0.3219
OC1CNCC1=O,0.2002
OC1COCC1C=O,0.2237
CN1C(C#N)C(N)C1=N,0.2492
Cc1ccn(c1C=O)C,0.1827
OC1CCC2CC1(O)C2,0.3082
CC1NC2CC2(O)C1=O,0.1907
N=C1OC2COCCC12,0.2802
c1nc2n(n1)CC(=O)O2,0.2214
CCC(OC(C)=N)C=O,0.2266
Cc1cc(c(=O)[nH]c1)N,0.1688
O=C1C2N3CC1C23C#N,0.2234
C(CO)C=O,0.225
C(CC(=N)NC=O)C#N,0.233
OC1CC2CC11OCC21,0.2863
CC1CC2CC(C)C1C2,0.3472
CN=c1oc(no1)N,0.2523
CC1CNC(=O)N1,0.3078
N#CC1C2CCC1C2=O,0.2296
C1CC2C1C1CCC21,0.3211
OCC12CC=CC1N2,0.2351
CC#CC1CC2COC12,0.2811
OCC1CCC(O1)C#N,0.2808
C1CC2COCC(C1)O2,0.3055
C1CC23C4OC12C1C4N31,0.2725
CC#Cc1c[nH]c(n1)C,0.2154
CC(CC[NH3+])CC([O-])=O,0.2744
N#CC12C3C4C1N4C23,0.2397
CN=C1NC(C)C(=O)N1,0.2236
CC(C)c1nnn(n1)C,0.2565
CC#CC1C2CC1C2,0.2892
O=C1CC2(C1)C1CC2O1,0.2141
CC12CC3C1OCCN23,0.302
N#CC#CC1CCO1,0.2209
CC#CC12OCC1C2C,0.2433
CC1CC2C3OC3C12O,0.3118
C#CCC(=O)C1(CC1)O,0.2238
C1C(=NO)CN1CC=O,0.2058
C1OCC2OC2C=C1,0.2399
CC1C2CC2C(O)C1C,0.3157
N#CC12OC3CC1C2O3,0.267
CC1C=CC2(C)C(O)C12,0.2279
CCOc1cc[nH]c1N,0.231
CC12CC3(CCC3)C1N2,0.3287
CC1CC11CN2CC12,0.3055
CC1N=C(C)OC1CO,0.2652
Cc1c(c(on1)C=O)N,0.1693
O=C1NCC2CC12C#C,0.2612
CC12C3C1C1(C)CC3C21,0.3239
CC(C)C12CCC1C2C,0.3192
N=C1CC=CC(O1)C=O,0.2069
CC1CC(C)C(O1)C#N,0.2906
C1C2OC11C3NC3CC21,0.2869
CCN(C=O)C(C)C#N,0.2719
c1cocc1NC=O,0.2155
OC1CC(CC1O)C#C,0.3013
CC1C(C)C1C=O,0.2255
OC(CC=O)C(O)C#N,0.2289
C#Cc1cnnn1C=O,0.184
COC12CC1(C)CC2O,0.3218
CC(=O)C12CC(C1)O2,0.223
OCC1(OC1C=O)C=O,0.1979
Cc1c[nH]c(c1CO)C,0.2331
CNC(=O)CC(=O)OC,0.2418
CC1OC1C1C2CC1C2,0.3501
CC(C)C(O)C1CC1O,0.3114
OC1C2NC(C=C2)C1=O,0.1925
C1C2C3OC22C=CC1C32,0.2246
CC1CC1C1(O)COC1,0.3097
CC(O)CC1C(C)C1O,0.3122
c1c([nH]cn1)NC=O,0.2053
CC1(CNC=[NH+]1)C([O-])=O,0.2388
OC12C3C1C1=CC3C2=C1,0.1523
COCCC(C)(O)CO,0.3049
CC#CC1CNCC1=O,0.1974
C1CC1CN2CC2,0.322
CCn1c(cnc1O)N,0.2446
COc1c[nH]nc1OC,0.2303
CC1(O)CC(=O)CC1O,0.222
C#CC1=CC(=O)CC1=O,0.1485
C1CC2CCC1OCO2,0.3167
CC1COC(OC1)C#N,0.299
OCC(=O)C(O)CC#C,0.2171
O=CC#CC(=O)C1CN1,0.1853
CC1(O)C(O)C1C(N)=O,0.2475
O=C1C=CC(C#C)C1=O,0.137
CC1C(N2CC2)C1(C)O,0.3118
OC12CC3(C1)OC=NC23,0.258
CC1C2C3OC2C13C#C,0.2654
C(=Nc1nnon1)N,0.1938
CN1CC1CC1CCC1,0.3016
CC1C(C#C)C1(C)C#N,0.2693
CCc1cc([nH]n1)O,0.258
CCC(O)CC(=N)OC,0.2782
C(#N)C(=O)C(=N)N,0.1654
OC1C2CC3OC1OC23,0.3304
O=COC1CNCCO1,0.2329
N=C1OC=NC(=O)C=N1,0.1754
COCC1C(O)C1C#N,0.2831
CC1(C)C2CC(C=O)N12,0.2058
COC12CC(C1)C21CC1,0.3439
O1C=NC2=C1ON=N2,0.148
CC1OCC11OC1C#N,0.2557
OC1COC2(CC12)C#C,0.26
N=C1NC(=NO1)C1CC1,0.2245
CC(C)NC(=O)C1CN1,0.2707
Cc1c[nH]c(n1)OC,0.251
CN=C1C(C)CN1C=O,0.2251
CC1=CCOCC1(C)O,0.2565
C#CC1CC2=NCCN12,0.2446
Cc1cc(on1)CC#N,0.2482
O=C1OCC(O1)C1CN1,0.2954
OC1CC2CCOC12,0.3043
O=C1OCC2CC12,0.2731
C1C2CC3C4C1C2N34,0.3021
C1CC11OC2=NCCC12,0.2611
CN(CC=O)CC#C,0.2049
CN=C1OC2C3CC3C12,0.2726
O=CCC1OC11COC1,0.2233
CCCNc1ccco1,0.2186
CC([NH3+])C1=CC(=O)O[CH-]1,0.2283
CC1(CN1)C1(C)CO1,0.316
CC12OC1CC2C1CO1,0.3256
N#CCC1CC2CN2C1,0.2682
O=CN1C2CC1C2C#N,0.2482
OC1C2CCCC12O,0.3094
NC(=O)C12CC(N1)C2=O,0.2371
c1c(c(cnc1F)O)O,0.2138
CCC1CC1N(C)C=O,0.2643
CC1CC1C1=CN=CN1,0.2436
OC1C2CC3OC3C12O,0.2954
O1C2C1C1C3C4C2C1N34,0.3195
CC(C#N)N1C=CN=N1,0.2542
CC1CNC2=C1C=CN2,0.2246
CCc1nc(co1)OC,0.2158
CCC12NC3(C)C1OC23,0.2932
N=COC1(CNC1)C#N,0.2479
Cc1ccccc(=O)n1,0.1692
CC1(OC(=O)C=C1)C#C,0.2216
O=C1CNC1C#CC#C,0.1995
CC12C3C4C5C(C1N34)N25,0.2623
C#CC#CC1=CCOC1,0.1752
C1OC2=NC3C4NC13C24,0.1573
CC(C=O)C1(C)COC1,0.2125
CC1COCOC11CC1,0.3334
CC1(C)CC(O)CCO1,0.3236
OCC1OC(C=O)C=C1,0.2001
CNC(=N)C(=O)C=O,0.1165
CC(O)C1NC11COC1,0.3021
OC1CC2CCC1C2=O,0.2232
CC(C=O)C(=O)CC=O,0.2141
CC(C(O)C#N)N1CC1,0.2783
CC1C2C1C1(C)NC21C,0.2746
ON=C1CN2CC(O)C12,0.218
CC1CC11CC=CC1,0.2639
CC1(OCCCO1)C#C,0.298
COCCCC(=O)CO,0.2356
CN(C)c1c[nH]cc1N,0.2304
CCOCC(CO)CO,0.3142
CC1OC1CN1CC1,0.3247
C1COC(=O)OC=N1,0.258
O=CC1NC(=O)NC=C1,0.1829
C#CC1CCC11CN1,0.2789
CN1CC2(O)CC2C1=O,0.2621
CC1C2CC1(O)C2(C)C,0.3253
CCC1CN2N=CN=C12,0.2728
CC1(O)CC(=O)C1C#C,0.2137
Cn1c2c(nn1)ocn2,0.21
CC12CC(CC1)C2C#N,0.3225
CC1N2C3CC2(C3)C1=O,0.1911
OC1=NC(=N)C=CN1,0.1987
CCCOC(=O)CN,0.2622
CCC(C)C(O)CC=O,0.2316
CC1(C)C2(O)COC12C,0.2782
CCC1(O)C(O)C1C=O,0.2197
OC1CC1C1(CO1)C=O,0.1986
OC1=C2CCN2C(=O)N1,0.223
CC#CC1C2N1CC2=O,0.2121
CCNC1(CNC1)C#N,0.263
CC1CC(C1)C1CC1O,0.3303
CC1C(C)C2OCOC12,0.3118
CC1C(O)C=CC1(C)O,0.2552
OCC12CC3C(C1)C3C2,0.3298
CC1(CN=CO1)C1CC1,0.2729
O=C1OCOC2CNC12,0.2362
CNC(=O)C1NC1C,0.2644
CCNc1ccn(n1)C,0.2206
OC(CC1CC1)C=O,0.2274
CCC1(O)C(C)CC1=O,0.2175
CC1C2CCC(=O)CC12,0.224
CC1=C(CC(=O)N1)C#C,0.1825
ON=C1CC2OC12C#C,0.2363
CCc1ccc2n1CC2,0.2416
C#CC1=CC=CCOC1,0.1603
N=C1CC2N=COC2O1,0.2697
C#CC1CCC1C#N,0.289
CCOC12CC1(O)CC2,0.2998
CC12OC1CC(=O)C=C2,0.1819
C1C2CC34CC1C23CO4,0.2876
OC1C2N3CC3C12C=O,0.2051
CC(CO)(CO)OC=N,0.277
CNC1(CCC1=O)C#N,0.2033
c1c(nc(nc1F)F)N,0.2323
c1c2c(on1)OCOC2,0.233
CC12C3CC1N=COC23,0.2597
OC1C2C3C2C1C3C=O,0.226
Cc1cc2c([nH]1)CCN2,0.2079
OC12CC3OC1C23C#C,0.251
NC1=[NH+]C(=N)C(F)=N[N-]1,0.1813
c1conc1C2(CC2)O,0.2425
CCC(O)CC(F)(F)F,0.3374
CC1CN1CC#CCO,0.256
N=C1NC=NC1CC=O,0.2179
O=CC1CC2OC(=O)C12,0.2268
Cc1c2c(on1)C=CC2,0.1883
CC1CC2(C)CC12C=O,0.2173
CC#Cc1c(nc[nH]1)C,0.203
CC1CC2(CC2(C)O)O1,0.2966
CC1C(CC=O)C1(C)C,0.2245
N=C(OC=O)C1CCC1,0.2455
NC(=O)C1C2CC2C1O,0.2663
COCC1OCC2CC12,0.3359
CCC(CC)CC1CC1,0.3595
CC1OC2COC1(C)C2,0.3189
OC12C3OCC1COC23,0.2879
CCNc1c(nco1)N,0.2127
CC1C2NC2(C)C1CO,0.289
COC12CCC1OCC2,0.3181
CC(CO)CC1CO1,0.3395
C1C2C3C4C1C1C2C3N41,0.2704
c1c(nc(cn1)N)C#N,0.1712
CCC12CC(CO1)C2=O,0.2067
CC1(CC=CCC1=O)C,0.2237
[NH3+]CCCOCC([O-])=O,0.2457
COC1C=CC(=O)C1C,0.1883
Cc1c(cc[nH]c1=O)F,0.1854
CCCC(C)CC=O,0.228
CC12CC(=O)C1OCO2,0.1932
CCC1(O)CC2NC12C,0.2904
OCC(C#N)C1CN1,0.2769
C#CC1C2C3CC2C13,0.3009
CN1C2CC1C2OC=O,0.2213
CN=C(c1cocn1)N,0.2041
CC(C#N)C1COC1=O,0.279
C1C2C3CC1COC23,0.2986
CCC12CCC1C1CC21,0.3145
CC1CC(C=O)C1(C)O,0.2192
c1cc(oc1CCO)N,0.218
Cc1c[nH]cc(c1=O)O,0.1895
C1OC1C#CC1CO1,0.2561
C1C2C3OCC(C=C3)N12,0.2229
CC(C)(C)C1CCCO1,0.3147
CC1OCCCC(=O)O1,0.2721
CC1CC2CC12C#N,0.2875
C1C2CC1N=COC2,0.2687
CC1CC([NH3+])(C1)C([O-])=O,0.2694
CC1C(CO)C2CC12C,0.3176
N=C1OC(=O)C=C1,0.1939
CC1OC1C(CO)C#C,0.2982
CC1CC2C1C1CC21O,0.3109
CC1OC2C3CC3C2=C1,0.2316
CC(CNC=O)C1CC1,0.2794
OC12CC1C(C=C2)C#C,0.2467
CCC12CC(C1)(C2)OC,0.3335
CN=C(C=O)NC1CC1,0.1609
c1cncc2c1non2,0.1638
CCC1N2CC2C11CC1,0.3066
CC1=C(C(=O)OC1)C#C,0.197
c1c2c(coc2[nH]n1)N,0.2159
CC1CN2C(C3CO3)C12,0.3052
C1OC1C12CN(C1)C2,0.3143
C#CC12CC3C(O1)C3O2,0.2709
CC1C2OC2C1(O)C=O,0.2116
OCC1(CCO1)C=O,0.21
NC(=O)C12CC1C1NC21,0.237
CC1OCC1COC=N,0.2686
CC12OC3C1CC23C#N,0.2661
N#CC1NCCN2CC12,0.2539
C1CCC(CC1)(C=O)O,0.2307
NC1=CC(=N)OC1C#C,0.2127
CC1NC(=O)CC=C1,0.2499
CCCC(=O)CC(C)O,0.2283
O=C1CC2(CC1O2)C#N,0.2169
c1c(nnnn1)C2CC2,0.1683
CC(C)(C)NC(=O)C#C,0.232
O=C1NC2CN3C2C13,0.2474
c1cc([nH]c1)CC(=O)N,0.2119
CC1OC(=O)C(C)=C1C,0.2315
C(CC(=O)C#N)C=O,0.1725
Cc1c(cco1)CO,0.2346
CC#CCc1nc[nH]n1,0.2488
CC1(C=CC2CN12)C#N,0.2297
CC(=O)c1cocn1,0.2034
OCC1CC(CC#N)O1,0.2878
Cn1ccc2c1[nH]cc2,0.2242
C#Cc1conc1CO,0.2181
CC1CC2(CC2O)C1=O,0.2136
CC1(CCC1)OC,0.3257
O=C1OC2CCC1OC2,0.2561
CC12CC(O)CC1CO2,0.3079
OCC12OC(=O)C1C2O,0.2737
CCCC12COC1C2C,0.3023
C1CC(=O)OC1,0.2795
CC1CC2=COC=C2O1,0.2266
CC12OC(C3NC13)C2=O,0.2349
CC1(CC(C1)COC)C,0.3316
CC1C2C(=O)CCC12C,0.2229
C1NC11C2NC2C2OC12,0.2978
C1CC11C2CC3OC2C13,0.3292
C#Cc1c(nco1)CO,0.2009
N1C=CC=CC=CN=C1,0.1803
Cc1cc(=O)onc1C,0.1839
CC#CC(C)(C)C,0.3086
OCC(C#N)C1CC1,0.3071
CC1CC(C)(O1)C(N)=O,0.265
CC(C)CC1OCC1=O,0.2243
CCC1C(C#CC)N1C,0.2552
OC1COC1CCC#N,0.3012
O=C1OC=NCC11CO1,0.2316
CN1CC(O)COC1=O,0.2908
C1CN1C1C2CC1C2,0.3161
CCNc1ccc[nH]1,0.2389
CC1CC=C(C=O)C1=O,0.1616
CC12C3C1N1C3C21C#C,0.2297
CC1OC1(C)C#C,0.2868
CC1N2C=NCC12CO,0.2395
CC12CC1(O)C(N2)C#C,0.2517
OC1C23CCOC12CO3,0.2669
CCC(C)N1CC1CO,0.279
COc1cc(c[nH]1)O,0.2372
CC(O)C1CC1CO,0.307
c1c2n(nn1)C(=O)CC2,0.2116
CC1CC2(CO2)CC1=O,0.2182
CN=C1CCC(O1)C=O,0.2096
CN1CC(OC=O)C1=O,0.2601
CN(C=N)C(=O)CO,0.2353
OC(COCC#C)C#N,0.2795
c1([nH]nc(n1)N(=O)=O)O,0.1963
C#CC(=O)CC#CCO,0.1891
CN=c1n(cco1)C=O,0.1874
CC1(CC1CO)C#N,0.3123
Cn1cc(c(n1)N)OC,0.2174
c1c(nc(c(n1)F)N)O,0.1792
OCC12CC3(O)C(O1)C23,0.2851
OC1CC2CCC2=C1,0.2457
C1CC1(C#N)OCC=O,0.2287
CC1(O)CC(O)C(O)C1,0.2935
c1cnc(oc1=O)F,0.1994
CC12CCC1C2(O)C#N,0.2855
O=C1COC2CNC=C12,0.1761
CC1C2COC=NC12,0.2537
CCC12C3OC(C13)C2O,0.3082
CC#CC(O)C1(C)CN1,0.2657
CCC(C)CC1(C)CO1,0.3404
CC1(O)CC(=O)NC=C1,0.211
C(C(C#N)(C#N)O)N,0.2362
CC1(O)C2CCC(O)C12,0.3098
COC(C)CC(C)OC,0.3211
C#CCC1=CC(=O)NC1,0.2143
CC1CNC(=O)C=CN1,0.2038
OC1C2CC2C1C#C,0.2919
CC#CCC(O)CC=O,0.2201
COC1(CC2CC12)C#N,0.2906
CC12C3CN(C13)C21CC1,0.3082
CNC(=O)CCC#C,0.2752
CC1NC1C1=CC=NO1,0.2298
N=C1OCOCC=C1,0.2136
N=C1OCC2CCOC12,0.2692
CC(C)C(C)C1CN1C,0.302
CC1OC(=O)C11CCO1,0.2428
CC#CC1(CO1)C1CC1,0.2782
C1CC11C2CC3CC1N23,0.2867
c1(nc(nc(n1)F)F)N,0.2449
O=CC1CCC=C1C=O,0.1775
C#CC1OCOC1C#C,0.2776
OC1C=CC(=N)OC1=O,0.2135
C1COC(=O)C(=N1)N,0.1984
OC1C2CC3OC3C12,0.3025
C1CC2(CC2)C=C1C=O,0.1883
O=C1CC2NC3C2NC13,0.2035
C1C=CC=CCO1,0.1898
C#CC1OCCC2OC12,0.2885
CCCCc1ncno1,0.2619
CCN(CC)C(=O)C#N,0.2179
CC#CC1NC1CC#N,0.2741
NC1=C(N=NO1)C1CO1,0.2048
c1c[nH]nc-2nccc12,0.1515
COC(=O)C(C)N1CC1,0.2485
c1cc(nc(c1O)F)F,0.2015
c1c(c(c([nH]1)CO)O)O,0.2253
OCC12CN1C1CC1C2,0.2952
OC1C2CC=CC1C2O,0.2434
CC1C2CC2CC1=NO,0.2516
CC1C(O)C11CN=CO1,0.2586
CC1C(CO)C1N1CC1,0.3045
COC1C2NC2CC1O,0.3023
C(CC=O)CC#N,0.2278
CNc1c(c[nH]n1)CO,0.2317
CC(C)CCC(O)C#C,0.2979
C1CC1CNC=O,0.281
COC1=NC(=N)N=CO1,0.2133
CC12CCCC1CCC2,0.3673
OC1C=C(NC1=O)C=O,0.1654
CC(O)C1(C)CC1O,0.3207
CC(O)CC(=O)C1CC1,0.2266
CCN1C2C3NC2C13,0.2831
CC1CC(=O)C(C1)=NO,0.1663
CC(C)C1(C)CC1(C)C,0.3248
CC12OCOC1C2C=O,0.2173
CC1NC2(CC12C)C#N,0.2402
CC(O)C12OC1CC2O,0.3229
CC1=C(CCC1)C(=O)N,0.2163
C1Cc2c(n[nH]n2)C=C1,0.2011
OC1CC1(C=O)C1CC1,0.2034
NC(=O)CC1CC1O,0.2788
CC1C2C(C)C=CC12C,0.242
C1CC12C(=O)C=CCN2,0.1701
CN(C)C(CN)C#N,0.2656
OC1C2C3C1C2N3C=O,0.2516
C#CCC1NC1CC#C,0.2973
OC1CCC(=O)OC1,0.2707
CC12CC1C1NC1CO2,0.2829
O=C1CNC11CCC=C1,0.2049
CN=C1OC(C)C11CO1,0.2607
NC(=O)C12CC1C(O)C2,0.2634
C1C2CC=CC12,0.2495
O=COCC12CC(C1)C2,0.2857
C#CCC12CC3CC1C23,0.3006
CCCN=COC(=O)C,0.2422
NC1=NCC(=NO)C1O,0.2234
CC12CC3C4C3C1(O)C24,0.2889
CC12NC1C(C=C2)C#N,0.2417
C#CC12CC3OC(C1)C23,0.2807
C1C(COC(=O)O1)C=O,0.2211
CCOC(C)C(C)=NO,0.2569
NC1(CCC=CC1)C#N,0.2667
Cc1cc(=O)[nH]cn1,0.1989
COC1CC(O)C1C#N,0.2938
C#CC1C2CCOC12,0.27
CC1C2OCC12C(N)=O,0.2612
CC(=O)NC,0.2805
CC(=O)CC1CCC=C1,0.2248
CC(NC(=N)C#N)C=O,0.1977
N=COC1=NC=NN=N1,0.1657
CC12CC3C1CC23CO,0.3355
C1C2C1C13CCC1C2O3,0.33
OC1CCC2OC2C1,0.3345
C1C2CC1C1=CCCC21,0.2494
OC12C=CC3NC1C23O,0.2157
CCCOCC(=O)C#N,0.1974
CCC1CN=C(O1)C#C,0.2171
COCC1CC(C)C=C1,0.2622
CCCOC1CN2CC12,0.3075
CC12OC1C1N=COC21,0.2699
N#CCC(C#N)N1CC1,0.27
CC(C)(C#CC#N)O,0.2377
c1cc(=O)ncnc1,0.1618
CCc1c(cc(o1)C)O,0.2155
CCCn1c(ncn1)N,0.2497
C1C=CC2CC1N=CO2,0.2475
OC12CC1OCC21CC1,0.2892
c1c(ncc(=O)[nH]1)CO,0.1653
COC(C(C)O)C(N)=O,0.2552
O=C1OC2C1CC21CN1,0.264
CC(=N)OC1CC1(C)C,0.2849
Cn1c(coc1=O)CO,0.2348
CC1C2C3C(O)C3(C)N12,0.2976
OCC1(C#C)C2CCN12,0.2692
C1OC1C12NC1C1CC21,0.2806
CCCN1CCC1C#N,0.2535
N#CC1CC11CCC=C1,0.2414
C1OC1C1=CC=NN1,0.2473
C1C2N1CC1=C2N=NN1,0.2234
CN1CC(C)(O)CC1=O,0.2704
C1C2OC2C2OC1C=C2,0.2538
C[NH+](C)CCCC([O-])=O,0.2712
CCC1(O)CC11COC1,0.3004
CCC1(C)CC2COC12,0.3182
CC12CC(C1)(C2)C#C,0.3032
C1C2N1C1COCC=C21,0.2346
CCC(CN)(NC)C#N,0.2628
OCC1CN1C1CC1O,0.2785
CC(NC=O)C(C)=O,0.2204
OC1=CC=C2C3CC3N12,0.2079
OCC1CCOC(=N)O1,0.2904
CC(C#N)(C#N)C(=N)N,0.2578
CC1C2OC2C11CN1C,0.3087
c1(nc(on1)N)N,0.2447
CC1CCC1(C)OC=O,0.2775
CCC1(C)N2CC1(O)C2,0.3082
CN1CC1C12CC(C1)O2,0.3068
ON=C1CN2CC=CC12,0.2221
OC1CCC1OCC#C,0.2756
CC(=O)NC1=NCCN1,0.2032
C#CC1C2NC2C2OC12,0.2947
CC1C2CC=CCC12C,0.2677
CC1C(C2CC2O)N1C,0.2809
CC1N=COCC1(C)C,0.2722
NC(=O)C1COCCO1,0.2725
OCC1OC2C3NC3C12,0.292
CC1(C)OC(=O)C1O,0.2647
CCCC1=CC(=O)NC1,0.217
CC1(C)C2COC(=O)C12,0.2702
CC1(O)C2CC2OC1=O,0.2629
c1cnn(c1N)CC=O,0.1644
OC1CCC(O)C1,0.3287
COC(CC1CN1)=NC,0.2538
COC1CCOCC=C1,0.25
CC12OCC3C1OC23,0.3106
c1coc(n1)OCC#N,0.2366
OC1CC=C2CCCC12,0.2504
CC(=O)C(C#N)C#N,0.2264
OCCC12CC1C(=O)O2,0.2704
CC1=CC2(NC2C1)C=O,0.2103
CC(C)NC1COC1=O,0.2412
c1c(onn1)N=CN,0.1832
O=C1COCC2OCC12,0.2037
Cc1c(c(c(o1)N)O)N,0.2138
OC1C(=O)N2CC12C#N,0.2279
CC1=NC2CC2(O1)C#C,0.2508
CN1C(=O)CCOC1=O,0.2506
C1CN1CCCC=O,0.2193
CC(=O)N1CC(C1)O,0.2668
CC(C)C(=O)OCCO,0.2745
NC1=NC2CCC2O1,0.2761
CNCc1ncon1,0.2034
CCOC=NC1CCC1,0.2653
CNCC(OC=N)C#N,0.2404
OCC1OC(=N)C1CO,0.2775
CC(=O)CCC(=O)OC,0.2364
CC(C)(C)OC1CCC1,0.3135
CC1OC(=N)CC1=O,0.2167
N1C2C1C1C3C4C3N1C24,0.2929
CC1=CC2CC1(CO)C2,0.2376
N=C1OCC23CCC12N3,0.2463
CC(CO)(CC=O)C#N,0.2252
CCC12CC1CC2CO,0.3199
CC(C)n1cccc1O,0.2408
OC1CC2C=CCOC12,0.2555
CCC(C)C1=CNC=C1,0.2504
C1C2CCC3(CO3)C12,0.3326
COC1(C)CCC(=O)C1,0.2206
CC1C(C)C2(O)CN1C2,0.2903
CC1=NOC(N)=NC1=N,0.1981
CC1C2C1(C)CC2(C)O,0.3141
CC12CC3CC1OCC23,0.3228
OC12C3CC(C13)C2C=O,0.2089
COC1(CC(C)O)CC1,0.316
NC1=NON=C1C1CN1,0.2099
COC1CC2OCOC12,0.3004
OC1CC2C3C4CC13N24,0.3255
CCC(NC=O)C1CN1,0.2573
CC(O)C1OC1(C)C#C,0.2828
C1CC1(CC#N)CC#N,0.3333
C#CCCC1(CN1)C#N,0.2888
N=C1OC2C1C21CCO1,0.2552
N#CC12CCC1NC2,0.257
CC1CC2(C)CCC=C12,0.2443
CNc1ncoc(=O)n1,0.2117
OCC12CC1(O)CCO2,0.2722
CCCCCCC1CO1,0.352
CCOCC(C=O)C#C,0.2219
OCC1OC11CC2OC12,0.326
Cn1ccc2c1ocn2,0.2146
c1c(nc[nH]1)OCCO,0.2298
Cc1nc(c(o1)C=O)O,0.1856
CC1CC(O1)C#CC=O,0.2021
CCC(=O)C=O,0.1571
CC1OC(=N)OCC1=O,0.207
c1c(oc(n1)C=O)N,0.1613
CC1COCC11CN1,0.3158
NC1=C(O)NN=CC1=N,0.172
CC12CC1COC1CC21,0.3222
CC1=CCCCC=C1,0.1929
CC(C)n1ccc(c1)O,0.2318
C#CCN1CC1C#N,0.2665
CC1=NC(CC=O)CO1,0.2225
C1C23CC=CC12C1NC31,0.2087
CCC1(COCO1)C#C,0.2912
CC(C)(COC)NC=O,0.2784
CC1(CO)NC1(C)CO,0.2964
CC1C(CC1=O)C(N)=O,0.2256
CCC1N=COC1C#N,0.2678
Cc1c(oc(n1)OC)C,0.2388
CC1=C(N)C(=N)N=NO1,0.1438
OCCC1CCCC=C1,0.2644
CC1(C)CC1C#CC#N,0.2239
CC12CC(C1)C(O)CO2,0.3059
O=CC1=CC(CC1)C#N,0.1912
c1c(c(ncn1)O)CO,0.229
Cc1cc(c(n1C)O)O,0.2239
Cn1cncnc1=O,0.2025
O=C1CC2C3CC1OC23,0.2082
CC1CN2CC12C=O,0.2035
N=C1NC(NC=O)=NO1,0.1989
c1c2n(nn1)CCC2,0.2561
C1CC11C2CC1N1CC21,0.3222
CC1OC(C)C1C(N)=O,0.2535
CCCC1CC(O1)C=O,0.2124
O=C1C2CC1(N2)C#C,0.2407
CC1=NNC(=N)OC1=O,0.1735
Cc1cc(c[nH]1)N,0.2239
CCC(N)C(=O)NC=O,0.2096
O=CC1CC(CO1)C#N,0.2147
C1OC2CCC=CC12,0.2578
c1cnc(nc1C#N)N,0.1734
OCC1CC=CCC=C1,0.2531
COc1cnc(nn1)F,0.1704
CC12NC1CCCC2O,0.313
C1C2C3CC4(CCC34)N12,0.3012
OCC1=NNC(=N)N=C1,0.1456
O=CCC12CC3C(C1)N23,0.2217
CC1CC(C=C1)C#C,0.2613
CCNC(=O)C=O,0.1753
CC1(CO1)C1NC1C#C,0.2756
CNC(C)(C#N)C(C)O,0.2867
CC1(CC1C=O)C#N,0.2212
[O-]C(=O)C12C[NH2+]CC1N2,0.2525
CCC(CO)CC=O,0.2291
CCC1=CC(=O)NC1=N,0.188
CC1C2CC(C)C12C=O,0.2247
O=C1OC2(CC12)C1CO1,0.2716
CN1CCCN=C1C=O,0.1653
CCOc1c(cco1)O,0.2198
c1cnc([nH]1)CC2CC2,0.2497
NC12C3OC1C(=N)OC23,0.2367
CC(N)(C#N)C#CC#N,0.2238
c1cc2c(nc1)CCO2,0.1981
C(C=O)NC(=O)NC=O,0.222
CN1CC(=O)C2(C)CC12,0.2019
CC1(C)CC2C(C#C)N12,0.2566
CCCC12CC3C(O1)C23,0.3044
OCC1(CC=CC1)C#N,0.2666
CCOc1cnc[nH]1,0.2445
COc1c(ocn1)C#C,0.1846
O=C1CC2N3CC2(C3)C1,0.2027
CC1C2OC11C=CCC21,0.2295
CNC=[NH+]C1=NC=N[N-]1,0.134
O=C1NC2C1CC21CO1,0.2699
CC1C(C)C2C1NC2=O,0.2705
C1C=C2CC3C4OC13C24,0.1654
OC1CC2OC2C(=O)C1,0.2155
C#CC12CC1OC2,0.2644
COC1CC=CC1(C)C,0.2636
CC1C(N1C=[NH2+])C([O-])=O,0.2318
c1cnc([nH]c1=O)C=O,0.1551
C1CN2CC3OC3C2=N1,0.2236
NC(=O)C1OC2CC1C2,0.2656
C#CC#CC(=O)CO,0.1856
CC1CC(=O)N1C=O,0.2193
OC(C=O)C1=CCCC1,0.1998
COCc1conc1N,0.2324
C(COCC#CC=O)O,0.2053
CCC(C)C1=NNC=N1,0.2693
N#CC12CC3C(N1)C23,0.2545
CNC1C(C)C1(N)C#N,0.2638
OC1C2CC3(O)CC3C12,0.303
CC12CCC(O1)C1NC21,0.3066
CC(=O)OCC(=O)C#C,0.2065
CC1(C)CC2(CC12)C#C,0.2712
CC#CC12CN1CC=C2,0.2266
CN(CCNC=O)C=O,0.2582
COC(C)C(C)(O)C#C,0.2871
Cn1c(cnc1CO)O,0.226
CN1C2C3OC2C(=O)C13,0.1971
CC1(O)C2COCC1O2,0.307
CC1C(O)C2OC12C#C,0.2619
CNC1(CC2OC12)C#N,0.2567
CC1(C2CCC12)C(N)=O,0.275
C1NC1C1=NC=NO1,0.241
CC(=O)C1OC1C1CC1,0.2213
CCOC(=O)C1(C)CN1,0.2563
OC1C2C3CC2(C3)C1=O,0.2032
OCC1CC(=N)N1C=O,0.2278
CC1(CO)CC=CCO1,0.2677
CN1CC(=O)NC1=O,0.2472
OC1COC(=N)C=CC1,0.2128
O=CC1CN1CCC#C,0.212
CC12CN1C1C(O)C1C2,0.283
CC1(CC(C1)(C)CO)C,0.322
OC1C2CC1(O)C2C#C,0.2984
CC1(CCC1=O)C#N,0.216
OC1C2CC1N2C=O,0.2522
CC12CC3CC(O1)C2O3,0.3244
CC#CCC(C)CO,0.3006
OC1(CNC1C#C)C#N,0.2502
c1nc(on1)C(=O)C#N,0.187
CCc1c[nH]nc1C=O,0.1981
OC1CN2CC(=O)C12,0.2014
CC1(CC2CO2)CC1O,0.3324
CC1C2CC1COC2,0.3344
C1C2CCC=CCC12,0.26
COC12C3C4C1C4(O)C23,0.2932
CCn1cc(cn1)OC,0.2282
C1CC1(CC=O)C(=O)N,0.2234
O=C1CC2C3OC1OC23,0.2013
OC1=NC(=N)N=C(F)N1,0.2209
CCC1CC(CO)C1,0.338
O=C1C2OC1C1CC2O1,0.2474
CC1C=CC2=C1C=NN2,0.1899
CCC(C)(C)C1CC1O,0.3262
OCC1(O)COCC1=O,0.2107
CC1NC11CCOC1=O,0.263
CN1CC2CC2(O)C1=O,0.263
CC1=CC(CC1)OC=O,0.2541
Cc1ccccn1,0.2276
CC#CCC(=O)C,0.2282
ON=C1CC(=O)CC1O,0.2177
N#CC1C2CC3CC1C23,0.3059
CC1CC2(C)C(CO)C12,0.3157
CC1C=CC2(CN12)C#C,0.2283
COC1C(O)C1OC,0.2863
CN1CC2NC2C(=O)C1,0.2
CCCC1CC2OC2C1,0.3439
C1CC2CN=COC2O1,0.2724
CCC(CO)OCCO,0.3186
OC1(CCCNC1)C#N,0.2443
NC1=CNC(=O)OC1=N,0.1721
C(N1CC1)C12CN(C1)C2,0.3043
CC(=O)C1C2C3CC1N23,0.2171
OCC1=CC=NOC1=N,0.1695
O=CC1(CCC#N)CN1,0.2235
CC1CC2C3CC2(O)C13,0.3337
c1cc(c(nc1)C#N)O,0.1895
CC12NC1(C#N)C1NC21,0.2703
OCC1C=CCC1=NO,0.245
C1C2CC3OCCC1C23,0.3077
C1CC11OCCC2OC12,0.3307
C#CCC1(CC1)C#C,0.2881
CC12C3NC(C1=O)C23O,0.2263
CC1NC1C(O)CCO,0.3143
CC(O)C(OC=O)C=O,0.2191
CC1C(=O)N2CC12C=O,0.1974
C1OC2C1C21CC2OC12,0.2973
N=C1CCOCCO1,0.2768
N=C1OCC2CC3C1N23,0.2548
c1c(nc2n1CCN2)O,0.2258
CCc1ccc(=O)[nH]n1,0.1751
COC(C)=NC1CC1O,0.2453
CC1C2OCCC12C=O,0.2271
O=CC1(CN1)C1CN1,0.2037
O=CC1CC(=O)NC=C1,0.1866
N#CC1=CC2C3CN2C13,0.1756
CC1OC1C1OC1(C)C,0.3324
CN1CC(=O)C1CCO,0.2078
C#CC12C3CN1CCC23,0.2591
CCC1OC2CC3C2C13,0.3218
CC12CN1CC(=O)C2=O,0.1386
C1C=CNC(=O)NC1=O,0.2267
COC1(C)CC1(C)C=O,0.2224
Cn1cc(c(c1)N)C#N,0.1994
OC12CC1NC(=O)NC2,0.2868
C1CC1c2c(onn2)N,0.2079
OC12CN3CC(O)(C1)C23,0.2754
OC12CN3CC(=O)C1C23,0.2059
NC1C2(N)CNC12C#N,0.229
CC12CC1CCC2O,0.3265
c1ncnc(n1)CC=O,0.1985
O=CC1C(C#C)C1C#N,0.2185
COCCC1CC1(C)C,0.3371
COCC(=NO)C#C,0.209
OCC12CC1CC21CC1,0.3079
C(COC(=O)CC=O)O,0.2272
O=CC1CCNC(=O)N1,0.2018
CC([NH3+])C(C)(O)C([O-])=O,0.2752
O=C1NC(=O)C2CCC12,0.236
COC(C=O)C1CCO1,0.2117
CC1=C(OC=N)C=NO1,0.2256
CCC1(O)C2CC1OC2,0.3195
O=COC1CCNC1=O,0.2563
CC1C2OCC1(C)C2C,0.3123
O=CC1NC11CC2CC12,0.2181
C1C2N1CC21CC2NC12,0.3055
CC1OC(C)C(CO)=C1,0.2503
CC1CC2C(C#C)C12,0.2905
CC1C2C1C(=O)N2C,0.2483
C#CC12C3CCC1OC23,0.2625
OCCN1CC2OC2C1,0.3104
NC(=[NH2+])C1=CN=N[N-]1,0.1814
COC1CC2(CC2)CO1,0.3457
CC(=O)C1CC1,0.2339
c1nc(c(o1)C2CC2)O,0.206
c1c(nnnn1)C(=N)N,0.1504
CC1(OCCO1)CCO,0.3321
COC12CC1N(C)C2C,0.2759
OC12CC=CC1C2C=O,0.2092
CC12CC3C(C1)OC23C,0.3148
C1CC11CC2CC2C=C1,0.241
Cc1cn(c(=NC)o1)C,0.2117
CC1(CCC=C1)C#C,0.2611
CC1OC11C(C)OC1=N,0.271
OC1=CNN=CC1=N,0.1709
C1CC1CC(C=O)C=O,0.2016
OCC1COCC1C#N,0.2986
CC1CCC2(C)C(O)C12,0.307
CN1CCCC(=O)C=C1,0.1819
CC1CC(=NO)C2OC12,0.2441
CC1=NC(=N)N=CO1,0.2176
CC1C=C2CCC2C1O,0.2462
CC1(C#N)C2N1CC2=O,0.2149
CC1=CCCC1=O,0.198
C#CCC#CC#CC=O,0.1795
CC1NC1C1=COC=N1,0.2372
C[NH2+]CC1=NON=C1[O-],0.2252
C1C2CC1OCC=CC2,0.2292
CC1OC(=O)NC1=N,0.2672
OCC12CC1C(N2)C#N,0.2702
CC(O)(CC#C)C1CC1,0.3004
OC1(CC=CC1)C#C,0.2683
CC12CC1(OC2=O)C#N,0.2568
CC1C(C)C(C)=CC1=O,0.193
CC1CC2CC(=O)N12,0.2349
c1ccocccnc1,0.1866
C1C2C3C4CCC2C1C34,0.3324
c1c2c(c([nH]1)O)CCN2,0.228
C1CC2CCOCCC12,0.3204
CC(C#N)C1CC1CO,0.3033
CC(C)(C)C1CC2CC12,0.3208
NCC(N)(C#N)C(N)=O,0.2471
CC1OCCC1=NO,0.2487
N#CC1(CC2CO2)CO1,0.2727
OC12CC(C1)(C2)C1CO1,0.3387
CC1C2CC2(C)C2CN12,0.3172
C1C(CC1=O)C#N,0.2238
CC1C=C(C=O)C2OC12,0.1882
c1c(c(c(o1)C#N)N)N,0.1936
CC1CNC(=O)NC1=N,0.2563
CC(=NO)C1CC=CC1,0.2528
C1OC2C3CCCC12O3,0.2738
CC1CCCCOCC1,0.3223
CCCC(O)CC(N)=O,0.2714
C1COCC=C1C(=O)N,0.2183
COC1CC2OCC12C,0.313
O=CN1C2CN3CC3C12,0.2285
OC12C3CC1CCCC23,0.3128
CCn1cnc(n1)C#N,0.2396
CC1CC(NC=O)C1C,0.2778
C1CC23C1C1C2COC31,0.3095
C1CC23OCC(C=C2)C13,0.2455
[NH3+]CCC(C#N)C([O-])=O,0.2604
CC1CC11CCCOC1,0.3247
Cc1c(c[nH]c1C#N)N,0.1862
CCC(=O)C(C)CO,0.2306
CCN1CC1COC,0.2969
CC1C2N1CC=C2CO,0.234
O=C(C1CCO1)N1CC1,0.2322
CC12COC(O1)C(O)C2,0.3174
CC1C2CN2C1C=O,0.2108
C#CCn1cncn1,0.2713
OC1CC=CCCC=C1,0.2469
CCC1OC2C3CC2C13,0.3333
OC12C3CC1C3CC2=O,0.2256
COCC1C2C3OC1C23,0.3062
Cc1c[nH]c(c1C=O)C,0.1921
C1CN1c2c(nn[nH]2)O,0.2232
CC(=O)C(CO)C(=O)C,0.2162
CC1C2C1C(C#C)C2O,0.2877
CC(=O)C1(CO)CC1O,0.2196
Cc1cn(nn1)CC#N,0.2436
N=COC1CCCOC1,0.2722
CN1CC1C(F)(F)F,0.3309
CC12OCC1CC21CO1,0.2981
CC1OCC1C(N)=O,0.2612
CC(=NO)C(O)CC#C,0.2515
CC12OC1CCC21CN1,0.3125
CC(O)C(OC=O)C#N,0.2743
C1C2C1C1CC2C2CC12,0.3465
C1CN=C(C(=O)CN1)N,0.1642
CN1CC1COC(C)=O,0.244
O=C1CNC(CO1)C#N,0.2427
CC(C)C1(C)COC1=N,0.2922
CC1(CNC1C#C)C#N,0.2607
COC1C=CC(C)C1=O,0.215
CC1C2CN2CC1CO,0.2954
CC1OC(=O)C2OC12C,0.2494
CCC1CC2CC(C1)O2,0.31
C1CC2CCC1OC=N2,0.2682
CC(O)C1(C)CN1,0.2967
c1cc[nH]c(=O)c(=O)c1,0.1556
NC1=NCC(=O)C1C#N,0.2085
CCCN1CC=CC1=O,0.2092
C1C(CN1C=O)CCO,0.2664
[NH3+]C(CO)(C#C)C([O-])=O,0.2505
CCOC(C)C(O)C=O,0.2285
OCC#CC1C2CCC12,0.2692
COCC(C)N1CC1C,0.3014
CCCNC(C)(C)C#N,0.274
CC1N2C3CC2C1(C)C3,0.3068
CCC#CCCCO,0.3022
OCC1CC2C3CC2C13,0.3422
Cc1c(cno1)NC=O,0.2142
C1C2OC1C1NC21,0.3114
NC1=NC2CC2OCO1,0.261
N=C1CC2CCC(=O)N12,0.2383
CCC1CC11C2CC1O2,0.3146
C(C(C#N)(C#N)C#N)O,0.2904
c1c[nH]c(c1C#N)C#N,0.1947
CC12CC(C1)N2C(N)=O,0.2741
C1OC1C1=NCCO1,0.2465
CC(O)C1=CCOC1C,0.2408
CC(N)(C#N)C1CN1,0.2781
CC1C2CC=CCC1O2,0.265
CC1OC(=N)C1CC=O,0.2258
c1c(=O)c(con1)C=O,0.1674
C1OC11CC2OC1C=C2,0.2457
OC1(CCN2CC12)C=O,0.1981
COc1c([nH]nc1O)O,0.2523
CC1=CN=C(N)C(=N)O1,0.1614
CN1C2C=CC11COC21,0.2024
CCOc1c(c[nH]n1)N,0.2222
O=C1CCC2C(C#C)C12,0.222
CN(C(=O)CO)C(=N)N,0.2257
CC(C)(CCC=O)OC,0.2302
CC1C2=CCC3C2C13C,0.1783
CC1C2C3OC(=O)C2C13,0.267
CN=C1OCC11CC1C,0.2703
O=CC1C2C3C=CC2C13,0.2017
CC12CC1C(NC2)C#N,0.2739
CC1COCC2(CO2)C1,0.3224
CCC1CC2CCCC12,0.3486
CC1=CC2C3C4C3N2C14,0.2247
NCC1(C#N)C2CN1C2,0.2591
CCC1OCCC=C1,0.265
CC12C3C1C1C3C21C=O,0.21
COC1OCC2CCC12,0.3349
CC1OC1C(=O)C1CO1,0.2091
COc1cncc(=O)[nH]1,0.1669
CC1COCC2NC2C1,0.317
CCc1nc(c(o1)C)O,0.2131
c1c(ocn1)OCCO,0.2357
CC1C2(C)OC(=O)C12N,0.2438
CC1COC(=O)C(C)=C1,0.2218
CN1CC1(C)C(C)(C)O,0.2907
OC1CC(CC1=O)C#C,0.209
C#CCc1cc[nH]n1,0.2651
C1C=CC23NC12C1NC31,0.2487
NC(=O)C1CC2CC12O,0.2665
CC12OC1(C#C)C1OC21,0.2554
Cn1cccc1N(=O)=O,0.1718
C[NH2+]CC1=C([O-])OC=C1,0.226
COC1=NCC(C)(C)N1,0.277
c1c(c2c([nH]1)NCC2)N,0.221
C#CCC12CC3C1OC23,0.2849
FC1=CC(=N)C=CO1,0.1994
CC12CC(CC1)(O2)C#C,0.2714
CC(C)(C)OCC=O,0.2294
CCOC(C)CC=O,0.2232
OCC1N=CNC1=N,0.2243
CC1CC2C1C2(O)C#C,0.2733
OC1=CNC(=N1)C1CO1,0.2136
CC1(CCC1)C(=O)C=O,0.1525
C1C2CC3CC=CC13O2,0.2392
Cc1c(n2c(n1)CC2)O,0.2309
COC1CC1COC=O,0.2737
CC1(C)C2CC11CCC21,0.3095
CC1(O)C2C3C2N2C3C12,0.2846
CC12CC(CC1)C2(C)O,0.3205
N#CC12CCN1C=NC2,0.2422
O=CC12CC1(OC2)C#N,0.2102
c1cn(cn1)CC=O,0.1865
OC1C=CC2C3CN2C13,0.2254
CC1CC2C(O)C12,0.3161
CC12OC1CC1C(O)C21,0.3052
C1CC2(O1)C1C3NC3C21,0.2782
CC12CC3C1N3C2C=O,0.2135
O=C1C2C3C4C1C2N34,0.2215
O=CC1CCN(C1)C=O,0.2124
CC1OCC11OC1(C)C,0.3205
CC(O)C(=O)CO,0.2353
Cc1nc([nH]n1)COC,0.2671
c1c[nH]c(cc1=NO)F,0.1701
CCNC(=N)C(=O)C,0.1706
CC(C)C12CC1OC2,0.2997
CC1N2CC3OC1(C)C23,0.2796
CC(OC1(C)CC1)C#C,0.2852
CC1(CCC=CC1)C#C,0.2677
C1C2OC2C2=CN=CN12,0.2344
CC1(CC1)C(C)(C)CO,0.3361
O=CN1CC2(CO2)C1=O,0.209
OCC1COC(=N)C1O,0.2875
CCOc1c(cc[nH]1)N,0.224
CCC(CC)COC,0.3375
O=C1NC2C=CC(=O)C12,0.1841
OCC#CC(=O)OC=N,0.2223
Cc1ccc(=O)n(n1)C,0.1714
O=C1C2CC(=O)CC1N2,0.2067
CC1C(O)C1C1(C)CO1,0.3098
O=C1CC2(CN12)C1CO1,0.2381
OC12COC1C(C2)C#C,0.2763
CCOc1[nH]cc(n1)O,0.2398
CC1(CN1)C(O)C=O,0.2129
Cc1c2c(cno2)[nH]n1,0.2115
CC(C)C1(CO)CN1,0.3037
COC1C(O)C1N1CC1,0.2959
CCC(CO)(CO)CO,0.2972
CC1N=CN2C(C=O)C12,0.2021
CC12CC3(C)OC1(C)C23,0.3074
C1CC2OCCCOC12,0.307
COC1CC1OCC#N,0.257
COCC1CC1CC#C,0.307
COCC1CC(=O)N1C,0.2783
CCC1CC2CC1O2,0.3337
Cc1coc(=O)o1,0.2538
CC1OCCNCC1=O,0.2049
C1C2C3CCOC3CN12,0.2996
CC(C)C1(CC1)OC=O,0.2743
CC1CCC(C=O)=C1,0.1935
CC#CC(C)C(C)CO,0.3023
O=C1CC2C3CC2C1C3,0.2254
C1NC1C1=NCCO1,0.256
CC1C2C(O)C2N1C=O,0.2566
OC12CC1CCC2,0.3331
CC12C3OC1C3C21OC1,0.3206
C1CC1n2nc(nn2)O,0.2255
CC1(O)C(O)C(O)C1O,0.2731
CC12CC1C(C=O)C2O,0.2091
COC=NC1(C)CC1C,0.2419
CCOCC(=O)C1CN1,0.2151
CC1(C)C2C3OC2C13,0.2987
NC1(C#N)C2COC12,0.2682
CC1(C=O)C2CCN12,0.2186
CC1OCCCC(=N)O1,0.2804
O=C1OCC1CCC#N,0.2798
CC1CN(C=N)C(=O)O1,0.2479
CC1C=CC(C)N1C=O,0.2423
N=C1NC=CCCC1=O,0.1741
C1CC=C(COC1)C#N,0.2157
OC1CC=C2C3OC3C12,0.2389
Cc1c(oc(=NC)o1)C,0.2316
C#CC12CCCCC1O2,0.281
C1CC=CC2(CC2)C=C1,0.2393
CC#CCc1ncon1,0.2269
CC12CC1OCC2C=O,0.2061
CC12CN3CC1C23C#C,0.2481
CCN=C1OCC2NC12,0.2557
CCCC(C#N)C1CN1,0.2806
CC1(CN1)C(N)C#N,0.2867
CC12CC3C1N3C(=O)O2,0.2837
CC(C)C12CN1C(=O)C2,0.2375
N=C1NC=C(CC#N)O1,0.2183
O=C1CC2NC12C1CO1,0.2216
CC1(O)C=CCC1C#C,0.2632
CC1(C)CC2CN2C1,0.3032
OC1C2C3N2C2C1C32O,0.2916
CCCc1c[nH]nc1N,0.2348
CC1C(C)C1C,0.3412
CC(O)C(O)C(C)O,0.3058
C#Cc1cnncn1,0.1546
CCC1(C(=O)CN1)CC,0.2156
CN=C1OCC=C1C,0.211
C[NH2+]C(CO)CC([O-])=O,0.2783
CN(C)C(=O)NCCO,0.2884
CCC1C2C3N2C1C3=O,0.2324
CC1(COC(=O)CO1)C,0.2607
C#CC1NCC(=C1)C#N,0.204
OC1COC(=O)C=CC1,0.2225
O=CC1(C#C)C2CC1C2,0.2149
COC1(CC1C=O)C#C,0.2186
CC1(O)CC(C)(C1)C=O,0.2274
CC12OC(C=C1)C2O,0.2383
CC12CC(O1)(C#N)C2O,0.2665
c1c(onc1O)C#N,0.209
C#Cc1ncnn1C=O,0.193
CCC1=CCOC(=O)N1,0.2266
CC1(CO)CC11CCC1,0.324
CC1(CCC1)CCOC,0.3277
OCCC12CC1N1CC21,0.286
CC12COC3C4C3N1C24,0.2744
CC12C3C4C(O)C1C4N23,0.2936
CC(O)C(C)(CO)C=O,0.217
CC1C(O)C23CN(C2)C13,0.2577
OCC1OC1(CO)C#N,0.2856
O=C(C#C)C1C2CCN12,0.1762
C1CCOCOC(=O)C1,0.2722
COC1CC2CCCC12,0.3168
CC(=O)C1OC1(C)CO,0.2214
COCC1=NC2CC2N1,0.2377
NC12CNC1C2C#N,0.2671
c1ccccc1,0.2503
CC(C#N)C(O)CC=O,0.2292
Cc1cc(cc(n1)F)O,0.2364
CN1CC2(N)C(C#N)C12,0.245
CC(C)C#CCC=O,0.2188
CC12CC(O1)C1OC1C2,0.3203
CCCC1(COC1)OC,0.3213
COC1(CCC=C1)C#C,0.2507
NC=[NH+]CC(=O)[CH-]C=O,0.1945
CN1C2C3OC2C13C=O,0.1915
O=C1CN2CCC=CC12,0.1987
C#CCC12CC1COC2,0.3006
NC1=CN2C3CC3C2=N1,0.1913
CCC(O)(CO)C#N,0.3112
OC1CCC(CC#N)C1,0.3191
CCc1nc(=O)[nH]nn1,0.1628
CC1(CCC=C1)OC=O,0.2538
CN(C)C(=O)C#CC#N,0.1854
CC1=CC(=O)CC1=O,0.1591
OC1=NOC(=N1)C1CO1,0.2287
CC1OCC(C)(O)CO1,0.3258
CC1CN2C1=CN=C2O,0.2505
C1N=C2NC3C4NC13C24,0.1592
CC1OC(C)(C)CC=C1,0.2647
CN1CC11C2CC1(O)C2,0.3068
CC1OC2C1C=CC2C,0.2588
CC(NC(N)=O)C1CC1,0.3011
NC1(COC1=O)C1CO1,0.253
N=C1OCC=CC11CC1,0.248
CC1=CC(O)C(=O)OC1,0.2489
CC12NC(=O)C1C2C#C,0.2426
CC1(O)C2OC(=N)C12C,0.2657
OC1C(O)C11CC(=O)C1,0.2193
COCC1CC1COC,0.3339
CCC(C)(C=O)C=O,0.2125
C1C(N1)(CC#N)CC#N,0.285
CCn1c(ccn1)C=O,0.1972
OCC1C2C1C(=O)C2O,0.2209
CC12C3CC(C13)C21CC1,0.3261
CN(C1CC1)C(=O)C=O,0.1671
CCC1CC(CO)CO1,0.3234
CC(C=O)C1CC1(C)C,0.224
O=CN1C2COCC12,0.2574
C1CC2C3CC1C2CO3,0.3153
COC1C2C3C2C(=O)C13,0.2434
Cc1cn(c(c1C)N)C,0.2387
CC1(CCC#C)CO1,0.3137
C#CC1(CC2CC2)CN1,0.2752
N=C1OCC11CN2CC12,0.2563
N=COCC1CC1C#N,0.2837
CC(O)CC1(C)CCC1,0.3206
COCC#N,0.2939
C1C2C3OC1C1NC1C23,0.295
CC(O)C1(O)C2CCC12,0.3014
C1CC11OCC2OC12,0.3229
OC1CC2NC12CC=O,0.213
CC1C(CC#N)C2CN12,0.2768
C1CC1CCOC(=O)N,0.3234
C1C2OCC3NC13C=C2,0.2166
C#CC12COC(CO1)C2,0.2755
CN=C1NN=CC(C)=N1,0.1512
CN1N=NC(N)=NC1=N,0.1656
N#CC1CC(C1)C1CC1,0.3159
OCC1C2NC2C11CO1,0.3022
CC#CCN=C(CO)N,0.2557
CC12OC1C(=O)CC2O,0.2132
c1c(coc1N)NC=O,0.1944
CC1C2C3C4COC13C24,0.3141
CC(=O)C1CN1CCO,0.205
COC1=C(N=NO1)C#N,0.1669
CC(O)C1C(C)OC1=N,0.2869
OCC1OCCNC1=O,0.263
OCC1CC2OC2C1O,0.3076
O=CNC12CC1CCC2,0.2741
OCC1C=CCN2CC12,0.2449
c1c(c(c([nH]1)O)N)C=O,0.1658
CCC12C3C4C(N14)C23C,0.2791
N=C1CCCCN1C=O,0.2264
c1cnc2n(c1=O)CC2,0.2018
c1coc(=O)n1C2CC2,0.2337
OC1(C#N)C2CC=CC12,0.2304
CC1CC=C2CC=CC12,0.2475
O=C1NCC(O1)C1CN1,0.2994
OC1CC2CC=CC2C1,0.2638
CC(CC#C)C(=O)C#C,0.1986
O=C1CNC23CN(C2)C13,0.1857
C#CCCC12CCC1O2,0.3051
COC1(C)CC1CO,0.3248
CC1C2C3NC(=O)C2C13,0.2526
OC1CC2CCC=C2C1,0.2493
CC1C(C#CC#N)N1C,0.1968
CC1=C(OC(=N)O1)C=O,0.1705
CC1C=CCC=CC=C1,0.2258
CC1OC1C1(CO1)C=O,0.2036
O=CN1CC11CC=CC1,0.2489
OC1C2NC1C(=C2)C#C,0.1872
CC1CC2C(O)C(C)C12,0.3082
C1OC1C1C2CC1C=C2,0.2403
C#CC12CC3CN(C1)C23,0.2453
CCNC(=[NH2+])CC([O-])=O,0.232
OC1CC2(O)CCC2=C1,0.247
CCC#CC(NC)C=O,0.2072
N=C1NN=CC(=O)N1,0.1834
O=C1OC2CN3CC2C13,0.241
NC(=O)C1C2N1CC2=O,0.221
OCC1CC(O1)C#N,0.2665
OCC1C2C3OCC3N12,0.2747
C#CC1=CCOCC1=O,0.1752
Cn1nnc(=O)nn1,0.1496
CC(CCCO)CC=O,0.2281
CN1C2COC3(CC3)C12,0.3024
c1coc(n1)CCC=O,0.2207
COCC1C2CC3C2N13,0.3109
CC(C=O)C1(C)NC1C,0.221
CCN1C2CC3OC3C12,0.2804
c1c(oc(=O)o1)CO,0.2523
C1C2OC3C4C2N4CC13,0.308
Cc1c[nH]cc1N,0.2329
OCC1C2C3OC3C12,0.2837
CC1NC2(CC2O)C1=O,0.2107
CC(C)(CO)C(=O)NC,0.2773
CCCN(C=O)C(=N)C,0.2344
CC12CC3C4CC3C1C24,0.3501
CC1C(O)C11CCCC1,0.3181
CC1(CC1)C2(CC2)OC,0.3109
N=C1NC2C(OC12)C=O,0.2032
C#CC#CC1COC=N1,0.2254
O=C1OCC2OCC1O2,0.2604
CCCCc1ccn[nH]1,0.2571
CC1=CC2CC1(O)C2,0.2378
CCC1(O)C2NC2C1C,0.3018
Cc1c([nH]nc1O)C#C,0.2043
CCCN1CC1CC=O,0.2072
CC(=O)C1=CNCC1,0.1771
CCOc1c(nc[nH]1)N,0.2163
OC1C2C(C#N)C2C1O,0.2857
N#CC1CCC11CN1,0.2758
CCC1C2NC2(C)C1=O,0.2149
CC12CCC11CC(C1)C2,0.3397
CC(CC(C)=NO)C#C,0.2516
C#CC12NC1CN1CC21,0.2522
c1cncc2c1COC2,0.222
CC12CC1C1OC1CC2,0.327
CC(=O)COC(=O)C#N,0.1991
O=CC1CCC2CC1C2,0.2224
CC1CC1C1COC1=O,0.2742
CC(C#C)C1OC1C,0.3072
OC1C2CC(C#C)C12,0.2904
O=CC1CC2CC12C#C,0.2069
OCC1C2C3C4C3C2C14,0.3068
COC=NCCC(=O)N,0.2618
CC1(CC=CC1=O)C=O,0.1862
C1C=CCc2c1[nH]nn2,0.2407
OCC(C#C)C1CO1,0.3051
CC1C2C3N2C=NC13C,0.2357
OC12CC1C1CN1CC2,0.2882
CC1C2(O)COC12C#C,0.2367
C(CO)NC=O,0.2828
NC1=NCC2OC1C2O,0.2408
CC1CC(=O)OC1C,0.2785
CCC1OC2(CC)CC12,0.3107
CCC(C#C)N1CC1,0.2829
O=C1OCC2C(C#C)N12,0.2577
CC1COC=NC2CC12,0.2515
CC1(CCC1C#N)C#C,0.2839
COCC(C#N)C(C)=O,0.2285
CC1=CON=C(F)C1=N,0.184
CCC1NC1C1(C)CN1,0.2992
O=C1CCOCC11CN1,0.2258
Cc1c(nc[nH]1)OC,0.22
CC12CC1COC2C#C,0.2927
CCC1C(C)CCC1C,0.3585
OC1C2C3C=CC1(O)C23,0.2367
COC12CC3OC1(C)C23,0.2901
OC12C3OC1C1CC3C21,0.2902
CC1OC(C)(C#N)C1=O,0.2176
Cc1c(nc([nH]1)N)C#N,0.207
CC12CN1CC(C)(O)C2,0.2827
CCC1(O)C2CCC1O2,0.3268
CCCC1(O)CNC1=O,0.264
O=C(CCC#N)C1CO1,0.2246
CC1NC1C1OC1CO,0.3147
CC1C2CC3CC1(O)C23,0.3164
CCC1=NC(=N)NN=C1,0.1579
OC1C2CC1(O)CC2O,0.3162
O=CC1OC11CCOC1,0.2158
O=CCN1CCC1C=O,0.1988
Cn1c(cnc1C#C)N,0.1886
CCC(C)(OC)C#C,0.2963
Cc1ncc(c(n1)O)F,0.2195
O=CNC1CCC1C=O,0.2194
CC(C1C[NH2+]C1)C([O-])=O,0.271
ON=C1CC2NC12C#N,0.2352
CC(O)C(=O)NC(C)=O,0.2245
CC(C)(C)OCCOC,0.3233
C#CCc1nc[nH]n1,0.263
NC(=O)C1C(O)C2CN12,0.2421
CC1COC2CC1CO2,0.3252
CC(C)(C#C)C1CO1,0.3098
C1CC11CC2CCC2C1,0.3448
CCC1C2CNC(=O)C12,0.2687
CC1C(O)C11CCO1,0.281
OC1CC1C(F)(F)F,0.3287
CC1NC(C)(C#N)C1C,0.2712
C#CCC(=O)NC=N,0.2376
CC1(CC(O)C1=O)C=O,0.1898
O=C1NCC11CNC=N1,0.2366
Cc1nc(co1)N(C)C,0.205
c1nc(c(c(n1)F)N)F,0.2077
CC12CC(O)C1(N2)C#C,0.2715
CC1N=CN2CC12C#C,0.2397
Cc1ncnn1CCO,0.2609
C1C23OC=NC12C1OC31,0.2144
CC1CC(=O)C(C)O1,0.2192
O=CN1CC1C1CCC1,0.2563
C1C2OC11C3OC3CC21,0.2971
CC1C=CC=CC=C1,0.1774
ON=C1C2CC1N1CC21,0.2414
C[NH+]1CC=C(C1)C([O-])=O,0.1563
NC(=N)C(=O)CC1CN1,0.1794
CC1CC2C3C=CC1C23,0.2375
COCCCCOC=O,0.2695
CC1=CCC(=O)C=CC1,0.177
N#CCOC1CC1C#N,0.2842
c1cc(=O)onc1C#N,0.1745
CC(O)C1CCC(=O)N1,0.2702
CC1NC1C1OC1C#N,0.2614
CC1OC2C(CO)C12O,0.3018
CC12C=CC3CC1C23O,0.2407
COC1CC2CC2C1O,0.3132
CC1(CC1O)NC(N)=O,0.2952
CN1CC(C1)(C=O)C=O,0.1952
c1c(cncc1F)CO,0.2191
N=C1OC2CC3COC123,0.2616
C#CC1(CC1)C2(CC2)O,0.2818
CC(C#C)C1(CO1)C#C,0.2812
CC1(CCC2OC2)CC1,0.3476
CCC1(CC1)CCC=O,0.2286
CCC1C2CC1C(C)C2,0.3692
OC1C2C3NC(=O)C1C23,0.2534
Cc1cc(=O)oc(n1)N,0.1918
NC1CNC1C#N,0.2607
CNc1nc(no1)C=O,0.1769
CN(C=O)C1CC1(C)C,0.2629
O=C1C=CC2N=CNC12,0.168
CC1=NC(O)=CNC1=N,0.1397
OCC1CC2NC2C=C1,0.2497
C(#N)c1c(onc1O)N,0.2262
CC1NC1C(O)C#N,0.2769
CC(C)C#CC1CN1C,0.2601
CC1CCCN1CC#N,0.2626
CC(O)CC1C2CCC12,0.3083
CC1(C)OCC1C(N)=O,0.2593
CN=C1NC(C)=NC1C,0.224
CC12CC3(CCC3C1)O2,0.3192
O=CN1CCCC1C#N,0.2685
OC12CC1C(=N)NC2=O,0.2347
CCC1=CCC(C1)C=O,0.2207
C1C(=O)C(=O)COC=N1,0.1525
CN=COCC1CO1,0.2735
COC12COCC1C2O,0.296
O=C1OCC2=C1N=NO2,0.1771
CCC1C=CCC1=O,0.2225
OCC1CC2OC(=O)C12,0.2776
CC1OC=NC1C#N,0.27
OCC1(C#C)C2CN1C2,0.2539
CC(C)C(C#C)C(N)=O,0.2708
CC1CC(=O)C1OC=N,0.2042
N=C1COC(=O)CCO1,0.2664
CCN1CC1(C)CCO,0.3001
CC(=O)C1OC1C#C,0.2183
CC1CC(C=O)C=C1,0.2164
CC(C=O)N1C=CC=C1,0.1761
CC(CC1(C)CO1)C#C,0.3085
CC(O)CC(=NO)C#C,0.2064
CC1=CC2CC1C=C2,0.2157
OCC1=NC=NOC1=N,0.1713
CC12NC1C1(NC21)C#N,0.2274
CC1C2OC(=O)NC12C,0.2971
C1NC11C2CC1OCO2,0.3175
OC(C#N)C1CCC=C1,0.2551
c1cnn(c1)C=O,0.2191
OCC12C3C4C3C1C24,0.2807
COC1(CCC1)C2CC2,0.325
CCC1CCC(=O)CC1,0.2234
OC1CC(=O)C11CC1,0.2172
CC1=CC(O)C(O)C1O,0.2549
CNC(=O)C(C)(O)CO,0.2738
N#CC1CNC2CC2O1,0.241
ON=C1COC(C1)C#C,0.247
CCCC(O)CCOC,0.3187
OCC1C2C=CC3C2N13,0.2254
COCC1CC(=O)CO1,0.2206
OC1C2OCC12C1CN1,0.2931
CC1=NON=C1C1CO1,0.2428
O=CC12NCC1OC2=O,0.1907
CN1CC1(C#C)C(N)=O,0.2495
CC1CC2(C1)C(O)C2O,0.2793
OCC12CC(O)(C1)C2,0.3286
c1c(nc(o1)C(=N)N)O,0.1854
COC1(CC1)C2COC2,0.3115
C1C2OC3C4OC(C14)C23,0.3033
OC1C2C3C=CC2C13O,0.2255
CC12CC(C)(C1)C(=N)O2,0.2871
CC12C3C=CN1C(=O)C23,0.2005
CC(C)N(CC=O)C=O,0.212
CC1CC2CC12,0.3435
CC1COC=NC1(C)C,0.2729
OC1(CCC1C#C)C#C,0.2721
CC1CC(C)(C=O)C1=O,0.1939
COC12CN(C1)C2(C)C,0.3178
C(=O)C(=N)NC(=O)N,0.1937
OCCC1OC11CCC1,0.3318
CC1(CO)OCCC=C1,0.2597
CC1NC11C2OC2C1O,0.3128
CCC1(CC1(C)O)OC,0.2906
CC1C2C3CC1(C)CC23,0.3402
C1CC2C1N1N=CN=C21,0.2634
CC12NC1C1CC2C1O,0.2974
CCC12OCOC1C2O,0.3061
CC1C2C3C2C(C)(C)C13,0.3329
COC12CC1C=CC2O,0.2333
CCC(C=O)C(=O)OC,0.2272
CN1C=NC2CC1C2=O,0.1909
CC1(C)C2CCC12O,0.3017
N#CC12CC(C1)C2,0.3361
CC1C(=O)COC11CC1,0.2155
OC1C2C1C1=NC=CN21,0.2266
CC12CC3CC1(CO)C23,0.3106
C1CC1C(=O)CC=O,0.2102
CC12CCC1COC2=N,0.2813
CC(C#N)C(C)(O)C=O,0.2251
c1cc(c(=O)[nH]c1)N,0.1692
O=CC1NC2C3OC1C23,0.2058
CNC(C#N)C(C)(C)O,0.275
CC#CCC1CC1,0.3022
CCC12C3CN1C(=O)C23,0.2448
C1CC23C4OC2C4C3O1,0.3058
CCC12CCC(O1)C2=O,0.2317
CN=CN(CC#N)C=N,0.2217
CCC1=CC(O)C2OC12,0.2374
N#CCCCC1CO1,0.3101
COCC(C=O)C1CO1,0.2273
CC(C)CC1NCC1=O,0.2186
C#Cc1cc[nH]c(=O)n1,0.1656
CC(CC#C)C(F)(F)F,0.3167
N#CC1C2C3CC1OC23,0.284
N=C1N2C3CC(C23)C1=O,0.1746
CCC(=O)c1cnoc1,0.2061
CC1=C(NN=N1)OC=N,0.2114
CC1(C#C)C2CC1OC2,0.2788
N#CC12CN3C(CN1)C23,0.2517
OC12CNC1=CC(=O)C2,0.2026
COC1(C#C)C2COC12,0.2531
CCC(O)C(C)C#C,0.3073
O=C1OCC2(NC12)C#C,0.2368
NC(=O)N1C2CC1C2O,0.2621
CC1=NCCC(O1)C#C,0.2656
c1c(=O)nc(oc1F)N,0.2221
CC1(C)CC(O)C1(C)O,0.2987
CC1C2N3CC3C12O,0.2843
OC1CC2OCC2C1=O,0.2191
C(C#CC(=O)C#N)C#N,0.1943
Cc1cccc(c1O)F,0.222
N#CC1CC1(C#N)C#N,0.2741
O=C1C=CC2CC3C2C13,0.1794
CCC1(CCC1)OC,0.322
C1C2C3C1C1C=C3CC21,0.1208
OC12C=CCC1C2C#N,0.2467
C1CN1C(=O)CCCO,0.2535
CC(=O)OC1COC1,0.2608
CN1C2C3NC(=O)C1C23,0.2256
CC(=O)N(C)C(=O)C=O,0.1568
Cc1ccn(c1C)C=O,0.183
C1c2c(nn[nH]2)C(=N1)N,0.2188
CC1=CCC=CCOC1,0.2386
C1CC23CC4CC12CN34,0.2823
OC1C(=O)CC=C1C#N,0.2038
N=C1CN2C3CC2C3O1,0.251
c1c(con1)NC(=O)N,0.2181
CC1(CN1C1CC1)C#C,0.2756
CC12CC3OC1(C)C23C,0.2946
CC#CC1CC11COC1,0.2771
ON=C1CC2(CN2)C1O,0.2366
CC1(CCC1)C2CC2,0.3438
c1cnc(nc1O)C=O,0.1789
CC1(CO)CC(=O)C1O,0.2239
CC1=CCCCCOC1,0.2524
CC1CC1(C)OC(N)=O,0.3133
OCC1CC(O)C11CC1,0.3247
CC1=NCCO1,0.2718
O=CC#CC1OC1C#N,0.1961
C1CN(C=N1)C(=O)CO,0.2213
C1C2NC22C=CC3C2N13,0.2047
CC12CCC1(C)C1OC21,0.3389
CCC1(COC)CN1C,0.3031
Cc1c(nccn1)CO,0.1982
O=C1OCC2CNC2=C1,0.2097
CN=COCC(O)C#C,0.2619
O=CC12CC3C1CN23,0.2048
N#CCC12OC1C1CC21,0.2702
C1OC1C12OC1C1CC21,0.2828
COC12CCC1C(C)C2,0.3179
OCC12C3CC1COC23,0.2972
CCC(=O)C(=NC)NC,0.1802
NC(=O)C1(O)CNC1=N,0.2565
CNC(=O)C1CC1C#C,0.2512
CCOCC(C#C)C#N,0.276
CCc1cc(c[nH]1)NC,0.2209
CC1COC1(C)C#N,0.2838
OC1CCC2OCCC12,0.3015
NC(=O)C1=COC(=N)O1,0.195
CC12CC(C1)C2(C)CO,0.3265
CCC1C(CO)C1(C)O,0.3034
N#CC1OCC1N1CC1,0.2579
CC(C)N=C1OCC1O,0.2635
O=C1CC(CC#C)N1,0.2836
COC12C3OC1CC23C,0.3002
CC(=O)CC1(CO)CO1,0.2227
CC1C2OC2C2(O)CC12,0.3272
CC1C=C(C)C2COC12,0.256
C#CC12CC1OCOC2,0.2863
CC(=O)C#CC1(C)CO1,0.2053
NC12CCC1(OC2)C#N,0.2492
CC1OCC11CCCC1,0.3095
N=C1COC(O1)C1CC1,0.2879
CCCC(O)C#N,0.3136
ON=C1CC2CC3C1N23,0.2314
C1CC1CCC#N,0.3316
CN1CC2OC(C=O)C12,0.1956
C#CCCNC(=O)N,0.2999
CC#CC(CCO)C#N,0.2865
COC1COCC=CC1,0.2605
CCC(C)C1CCOC1,0.3224
CC1NC1C(C=O)C=O,0.2066
Cc1ccc(o1)NC,0.214
CC1(O)C2COC(=N)C12,0.2732
Cc1cc2cc[nH]c2o1,0.2179
N#CC1C2CC2C2CC12,0.3045
c1c(nc(c(=O)o1)F)N,0.1428
CCC1=CCC2(C)CC12,0.2449
O=C1CCCC2CCN12,0.2635
CC#CC(C)C#CC#C,0.2283
CC1C2C3CC(C3)N12,0.3069
O=C1OCOC2CCC12,0.2717
OC12CN(C1)C2CC#N,0.2946
CN1C2CCC(C2)C1=O,0.2636
CCC1CCC(=C1)C#N,0.2188
c1cnccc1C=O,0.1823
c1c(cn[nH]1)C(=O)N,0.237
CC1CN(C=O)C11CC1,0.2526
C1CCC(C1)CCC=O,0.229
CC1CC2(CN12)C#C,0.2536
CC1=CCOC(=O)N1,0.2283
c1c(oc(n1)N)C=O,0.1787
CC1CN1C1=CON=C1,0.2077
O=C1OC2CC(=O)OC12,0.2621
Cc1c(con1)CO,0.2491
CC1OC1C1(C)CC1C,0.3389
N#CC1CCOCO1,0.2959
CC1OC2=NC(C)CC12,0.2666
OC(C#C)C1C2CCN12,0.2576
CCNc1noc(=O)o1,0.268
C1C2N1CC1N3CC21C3,0.2939
CNC(=O)C1OCC1O,0.2614
C1C2N1CC21CCC1,0.3035
CCOC(C)(CC)C#C,0.2965
CC(OC(C)=O)C#N,0.2844
O=CC12NC3C1C=CC23,0.1853
NC1=CC(=N)ON=C1O,0.1628
C(=O)C(=O)C(=O)C#N,0.1169
c1cc(=O)onc1,0.1811
Cc1c[nH]c(c1O)C#N,0.2033
CCOCCOC(C)=N,0.2875
CC(C)CC1CC1(C)C,0.3367
C1C2C3OC4CN2C1C34,0.3016
C#CC1(CCC1)C#N,0.2902
C1CN=COCCC#C1,0.2554
C(=O)N(C(=N)N)C(=N)N,0.2181
C#CCC1NC1C1CN1,0.2927
C1N2C3CC4C=CC13C24,0.2252
OC1CC(NC=O)C=C1,0.2364
C1NC11C=CCC2CC12,0.247
CC(C)C1CC(O)CO1,0.3157
C1C(=O)N(C=N1)CC=O,0.2062
NC(=O)C1CC11CCC1,0.2729
CC1CC2C1C1OC21C,0.3204
CCCC(C)CC(C)=O,0.2335
N=C1OC2CC2CC=C1,0.2129
CC(C)C#CC(=O)C#C,0.1875
N#CC12C3CC1CN23,0.2652
CN=C1OC=C(F)N=C1,0.1477
CC1(CO)CNC(=O)C1,0.2741
OC1CC23CC(C12)C3=O,0.2517
CCc1ncnn1C=O,0.2183
CN1C2CC1C2(C)C#C,0.2463
NC(=O)C1C2C3CC2C13,0.2648
CC1C2C=CCC12C=O,0.2231
N=C1NN=CC=C1C#N,0.1399
C1COCCC1NC=O,0.2808
C#CC#CCNC=O,0.2217
CC1C2C(O)C2C2CN12,0.2722
NC1=NCC2(O)CC12O,0.2542
c1c(n[nH]c1O)CC=O,0.2076
C#CC1OCOC1C#N,0.2792
CC1C2C1N1CC(O)C21,0.2677
O=C1CC2(CC#C)NC12,0.2209
CCC(=O)OC=NC,0.2444
OC1CN2CC11OCC21,0.2548
Cc1c(c(=O)cc[nH]1)O,0.1849
ON=C1CC=CC1C=O,0.2126
CC1CC1(CO)C1CO1,0.3268
CC12CC(CO1)C1CC21,0.3256
CC1C2(O)C3CC1(O)C23,0.3039
C1C23CCCC12CCC3,0.3245
C1C2OC1C1=NNN=C21,0.2376
Cn1nc(nn1)CC=O,0.2249
CN1CC(CO)NC1=O,0.2887
O=CC1=CCNC1C#N,0.1758
C1C2CN1CCN=CO2,0.2187
C(C#N)C(=O)NC(=O)N,0.241
c1c2c(no1)NCCO2,0.224
COC1(C)COC1C=O,0.2195
CCC1COC(=O)O1,0.3321
C#CC1OC2CC2O1,0.2702
CC(O)CC1=CON=N1,0.2304
OC12CCC1NC(=O)C2,0.2734
CCC1(N)C(O)C1C#N,0.2796
CC12C3C4C3(O)C1C24O,0.2889
c1conc1C(=O)C=O,0.1475
OCC1C2C(CN12)C=O,0.2186
CC1CC(C)CC(O)C1,0.3352
CN(C=O)C(CO)C=O,0.2069
CCCOCC1CC1O,0.3226
CC(=O)NCCCC#N,0.2732
NCC(O)(C#N)C1CN1,0.2755
COC1OC(C)C2CC12,0.3445
CC1C(=O)C2NC12C=O,0.1907
CC1OC11CC2CC12O,0.3157
ON=C1C2CC1(O2)C#C,0.2425
CC1(C)C2CC3OC1C23,0.3147
C#CCC1CC1C#C,0.2845
CC(CO)CCOC=O,0.285
O=CC1C2OC(=O)C12,0.2163
CNC1CCC1(O)C#N,0.2403
CC(C#N)C12CN1CC2,0.2782
C1C2OCC=CC=CC12,0.2122
CC(N1CC1)C1(C)CO1,0.3132
c1c(nc(c(n1)O)F)N,0.1704
CC12OC(=O)C1(N)C2O,0.25
CCCC(CCO)C#N,0.3065
CC(C#C)C(=O)N(C)C,0.2597
c1c2c([nH]n1)CCCN2,0.2206
CC1CC(C1)C1CCC1,0.3512
COC1CC=C(C1)C#N,0.2218
COC12CCC1C2C,0.3241
Cc1c2c(no1)CC=C2,0.2014
C1COC2C3OC2C3O1,0.3118
c1c(c[nH]c(=O)c1N)O,0.1631
CCC1CC(C)(C)C=C1,0.262
CCC(=NO)C(C)OC,0.2578
CC1CC1(C)CCC#N,0.3135
CC1CCC2(O)CC2C1,0.3255
N#CC12CC3CC3C1N2,0.2763
CC1CCOC(C)=N1,0.2698
CC12OC3(C)CC1C23O,0.2904
CCC1C(C)C1CO,0.3273
COCc1cn[nH]c1N,0.2366
CC12CC3N(CC13O)C2,0.2726
CC(C)(C#C)C#N,0.2967
OCC12OC3C=CC1C23,0.2246
c1c(c2n(n1)C=CC2)O,0.189
C1OC2OCC3C1C23,0.3271
CNCC(O)C#N,0.2804
COCC1(O)C(C)C1O,0.305
Cn1ccc2c1onc2,0.2152
CNCc1c(non1)N,0.2127
CC(C)(CC1CC1)C=O,0.2281
c1c(nc(c(n1)O)N)F,0.178
CN(C)c1ccoc1,0.2158
CCC1CCC2C(O)C12,0.3066
O=C1CN2CCC1CC2,0.1934
CN1C(=O)C2OCC12C,0.2478
C1CC1(CC#CC#N)O,0.2305
CC1CC(O)C(=C1)C#N,0.2222
CC(C)C1CCC(C)C1,0.3754
CC(C1CC1)C(C)=O,0.2286
CC12C3OC1CCOC23,0.2845
CC1CC11COCO1,0.3283
CC1(O)CNC11COC1,0.2972
CC1C2CC2(C#C)C1O,0.2725
OCC(=O)N1CC1C=O,0.2065
CC1CC=CC1CCO,0.2616
CC(O)C1(O)CC2NC12,0.291
CCC1CC(C)C(=O)O1,0.2776
CC1(CC#N)CCCO1,0.2914
CN1C=CC(=O)CC1=O,0.1797
CC1(C)CC1CCCO,0.3373
O=C1COC11CC=CC1,0.2203
c1[nH]c(=O)n(n1)C=O,0.214
CC12CCC1OCCO2,0.3096
C#CCCC(=O)C#N,0.1862
CC1CC23CN4C2CC134,0.2498
CC(C)C1NC(=O)C1C,0.2795
CNC(=N)c1ncno1,0.1781
CC12NC(=O)C1C2C#N,0.2447
COC(C)C(C)CO,0.326
CC1C2C3OC1(C)C23O,0.2894
CC(O)CC1(CC1)C=O,0.2333
CC(C)(CO)COC,0.3217
CCC1(O)CC(O)C1,0.3196
OCC1(CO1)C#CC#C,0.2174
OC1CC1C1OC1C#C,0.2761
CC1C2CC(O)C(=O)N12,0.2345
COC=Nc1c[nH]nc1,0.2074
C1CC1c2nc(no2)O,0.237
C1CC1c2c([nH]nn2)N,0.2237
CC1C(C)C1(CO)C#C,0.2871
CNC12CC1NC2C#N,0.2442
O=C1OCC1CC1CC1,0.2806
OC1C2CN3CC2(O)C13,0.2864
Cc1c(ocn1)OC,0.2303
COC(C=O)C1CC1C,0.2098
CCCCOCC1CN1,0.3228
CC12OC1C(O)CC2=O,0.2143
CC1C=CC23CC12CO3,0.2257
CNC12CC1(OC2)C#N,0.2314
OC12CC1CC21CC1,0.3035
c1c([nH]c(c1O)O)C#N,0.187
N=CN1C(=O)CCC1=O,0.2245
Cc1cc(c(o1)O)OC,0.2174
CC12OCC1CNC2=O,0.248
CC1(COCCO1)C=O,0.2075
CC(C)(CCC#N)OC,0.3075
CC#CC(C)(C)CO,0.3002
OCC1CCC2OC2C1,0.3316
NC(=[NH2+])N1C=NC=C1[O-],0.18
CC(C#N)C(=O)CO,0.2326
C#CCc1noc(=O)o1,0.2667
O=CC1CC=CC(=O)C1,0.187
CC1OC1C1=NON=C1,0.226
OC1CC(=O)C1C1CC1,0.2173
CC1CN2C(=O)CC12C,0.237
OC1C2NC(CC#N)C12,0.2721
CC12CCC(C=C1)C=C2,0.2383
CCC(=N)OCCOC,0.2902
CN1CC2NC2(C1)C#N,0.2318
CC1([NH3+])CC1(O)C([O-])=O,0.2595
CCOC1(C)CN2CC12,0.3084
CCOCC1CC(=N)O1,0.2781
CC1CC2CCOCC12,0.3176
CC12CC(C=C1)C21CC1,0.2358
O=C1NCC11CN=CN1,0.2363
CC12COC11CC(C1)O2,0.304
OC1C2CC(C3CC3)C12,0.3173
OCC(O)CC1CCC1,0.3119
ON=C1CC2OC2C=C1,0.1837
OC1=C(F)C(=N)N=NO1,0.1965
CNc1ccc(o1)C#C,0.1764
c1c(c(=O)oc(n1)F)N,0.1674
COC(C)C1OCC=C1,0.2505
CCCCC1CCC1O,0.327
CC1=COC(=N)NC1=O,0.2042
CC1CC=CN(C)C1=O,0.2099
CCNc1c(cn[nH]1)N,0.233
C1C2(CO1)C(=O)OCO2,0.2525
CC1COC(=N1)C1CN1,0.2558
CC1C=CC=CC=C1C,0.1742
C1COC(=O)CC(=O)N1,0.2507
CC1C=C(C)C(=O)C1=O,0.139
COCC1(CN1)C(C)=O,0.2251
CCC(COC)OC,0.3287
N#CC1OCC=C1C#N,0.2164
CCC1CC1OC(N)=O,0.315
CC1C(C#C)C11CCO1,0.2687
O=CCC1CC2CC2O1,0.2255
CC1NC2CNC12C#N,0.2453
CCC1C2OCC2N1C,0.2875
C1OC11CCC11CCC1,0.3296
OC1C2(O)C3CC3C12O,0.2668
CC(=N)OCC#CC#C,0.2223
c1c(c(n[nH]1)C=O)N,0.1752
CC12CC3=CCC(O1)C23,0.2116
CCCc1cnnn1C,0.2509
O=C1CC2C1NCC2=O,0.1829
CC(O)CC1COC1=N,0.2906
CC1(C)OC11COC1=N,0.2713
O1C2C3C4C3N3C2C3C14,0.2972
CC1C=C(C#N)C2CN12,0.1915
CC12CN3C1CC3(C)C2,0.3116
CC1C(=O)CCC11CC1,0.2183
N#CC1CC(O1)C#N,0.2716
COC1C2CC=CC1O2,0.2409
CC1(CO)CC1CC=O,0.2254
CC1(NC1CC#N)C#C,0.2724
c1c2c(co1)NCCC2,0.2132
ON=C1C(O)CNC1=N,0.1956
OC12CC3C=CC(C1)C23,0.2524
CC1NC1(CCO)C=O,0.2169
CC(CCO)C(C)=NO,0.2584
CNc1cn(nc1N)C,0.2141
O=C1OC(C#N)C2NC12,0.2523
CC1(CC=O)CC1CO,0.2233
CCCC(=O)CNC=O,0.2209
CN(C)C(=O)NC(=O)N,0.2594
C1OC23CC4CN(C12)C34,0.2752
CC1(CO)NC1C#N,0.287
C(C(CO)(C#N)O)O,0.2937
CC1OC1(C)COC=N,0.2805
CC12CN3CC1C(O)C23,0.283
CC12CC3CC4C1N2C34,0.2976
CC1C2C3C(C2C#C)N13,0.2843
NC(=O)NC1CC1CO,0.2926
C#Cc1ccc(=O)oc1,0.166
c1c(c(no1)C=O)CO,0.1937
CC1CCCC(C)=CC1,0.2522
OC1CC2CC(=O)NC12,0.273
CCCN(C)C=O,0.2724
O=C1C2CC3(CCC13)O2,0.2076
C1CC12CCN2C=O,0.2524
c1cc(ncc1CO)F,0.2188
C1C23CC4NC4C12CO3,0.2787
CCC1C2C(C)C(=O)N12,0.2328
CC#CC(=O)CO,0.2095
O=C1CC2CN2CC1=O,0.1424
OC1C2C3OC2C3C1=O,0.2038
CC1C2N1C1CC2(C)C1,0.3158
CCC12C3CC1N=CN23,0.2385
CC(C)C1(O)CC2CC12,0.3107
O=C1C2CC2CC11CO1,0.2121
CC1=NCC(CO1)C#N,0.2703
OC12CC(C1)(C2)C1CC1,0.3301
CCOC(=N)C1CCO1,0.2866
CC1CC1C(C=O)C=O,0.1952
CNC(=O)C12CC1CC2,0.269
NC(=O)C1CC2COC12,0.2649
CC1(C)C(CC1=O)C#N,0.2192
CCC1(CC1)C(C)CO,0.341
OC12CN3C1C1(CC1)C23,0.3096
Cc1c(cc[nH]c1=O)O,0.1841
CC(=N)Nc1cnco1,0.2139
CN1CC(O)C1C#C,0.2575
CC1=Cc2c(ocn2)C1,0.191
O=CC1C=CCCC1=O,0.2052
CC1C2COC12C,0.3109
C1COCC(=C1N)C=O,0.1821
c1cnc(cn1)C2CC2,0.2001
OC1C2C=CC11OCC21,0.2145
CC#CC(O)C(=O)C#C,0.1798
CC1CNC2=C1N=NO2,0.1656
C1C2C1C1CCC21,0.3171
CC1=CNC(=O)CC1,0.2098
CN1CC2(CN2)C11CC1,0.2767
OC1=C(F)C=NC(=N)O1,0.1593
OC1C(O)C1OCC#C,0.2555
CC(CCO)NC(N)=O,0.2998
CCC(=NO)COCC,0.2539
NC1=CC(=O)CC11CO1,0.2011
c1cc([nH]c1)C2(CC2)O,0.2349
CC(O)C1(CO)CC1,0.326
CC1CCCC(C)O1,0.3293
C1C2OC3CC=CC12O3,0.2309
c1c([nH]c(c1O)O)C=O,0.164
CC1C2OC3(COC3)C12,0.3073
[NH3+][C-]1C=CC2=C1ON=N2,0.1112
CC1=CCCC1(C)C=O,0.2064
Cc1c(ccoc1=O)F,0.1848
CCCC1(CC1)C#N,0.3201
N#CC1C2C1N1CC2C1,0.2679
Cc1c(c([nH]c1O)N)O,0.2109
CC1(CC1)OC(=O)CN,0.259
COC1C2CC1(O)C=C2,0.2359
CC(O)CC(C)C(N)=O,0.2716
CCCOC(=O)NC=O,0.2456
CC(O)C1=NNN=C1N,0.2156
c1c(nc(nc1O)F)N,0.2347
CC1C(O)CC1(C)C#N,0.3094
CCC1COC1(C)CC,0.3183
CCC1OC2C3OC2C13,0.3043
CC1N2C3CC(C)=C1C23,0.1656
Cc1c(=O)c(non1)N,0.1617
CC1C2CC3NC3CN12,0.2711
C1C2CCC11N=COC21,0.2546
CC12CC3OC1C2C3O,0.2941
CCC(=O)C12CN(C1)C2,0.1983
CC1CC2C3C2C1C3O,0.3282
C1CC23CCC12CCO3,0.313
OC12CC3=CCC1C23,0.1759
OC(C#N)C1CCC1,0.3038
O=CCCC(C=O)C#C,0.2094
CC1CC2C3CCC2C13,0.3653
CC1(OCCC1=O)C=O,0.1985
CC1=NCCCOCO1,0.2585
C#CCNC(=O)C1CC1,0.2718
CC1(NC1C#C)C#C,0.255
O=CC1=CC2OC2C1=O,0.148
c1c2n(cn1)CCCC2,0.2421
C1CC(C1)CC(=O)C#N,0.2016
O=C1C2C3CC4C3C2C14,0.2193
CCC1C2C3CC1OC23,0.3175
N#CC1=CC2CC2CC1,0.2071
C#CC1CC1CCC#N,0.2873
CC(C)COC(=O)C#N,0.2471
Cc1c(c(c[nH]1)O)C#C,0.2057
C(C#N)NC=NCC#N,0.2581
NC1=NON=NC1=N,0.1636
CC(C)CC1C2COC12,0.3076
C1C(=O)C(=O)CN1C=O,0.1427
O1C2C3OC4C1C4OC23,0.2346
CC1CC1CCC#C,0.3132
Cn1ccc2c1[nH]nc2,0.2231
OCCN1CC1C1CN1,0.304
N=CN1CCC(=O)C1=N,0.1692
CCOCC1(CC)CN1,0.3152
c1cn(c(=O)cn1)C=O,0.1551
C1C2C1C1CC2C11CO1,0.3411
CCC1CCC1(O)C#N,0.3058
CC1(C#N)C2C(O)CN12,0.2785
OC1(CC11CCO1)C#C,0.2558
CC(C)C1NC1CO,0.3189
C1C(=NO)CNC1=O,0.2392
CC1OCC1NCC#N,0.2661
CC1OC2(CO)CNC12,0.289
OCC1=CC2CCC2C1,0.257
CC(C=O)C(=O)OC=N,0.2158
CCC1C(CO)C1OC,0.3071
CC(=O)OC1(CC1)C,0.277
Cc1ncnc(n1)O,0.2286
C1CC2OCCOC2C1,0.3145
O=C1C2CC2C1C1CN1,0.2154
CCC1(O)COC=NC1,0.2628
C#CC1C2COC1OC2,0.2949
C#CC1OC2CC12C#N,0.2598
OC12CC3OC1C23,0.2898
CC1(O)CC2CC2C=C1,0.2484
CC12C3C4OC1C4C23C,0.3219
C#CCc1ccc[nH]1,0.2416
CN1CC2CC1C2=O,0.2036
CC(O)(C#C)C1CO1,0.2892
CC12CC3C1C=CC23,0.2263
CC(C)C12CC1OC2=O,0.276
CN(CCC#C)CC#N,0.2602
CC12CC(CO1)CC2O,0.3187
COCC(O)CC#C,0.3051
CCC1C2OC2C1O,0.323
CCNc1cc([nH]n1)N,0.2291
C#CCNc1ccn[nH]1,0.2391
OC12CCC1COCC2,0.3151
COC(=N)CC#CCO,0.2827
CC(=O)C(O)CC1CC1,0.2324
CC1CC2OC1C1CC21,0.343
C1C2OC3OC12CC=C3,0.2408
OCC1C2CC3(CC3)C12,0.316
CC1C2COC(C)=NC12,0.2535
Cc1cc(no1)C#N,0.2243
CC1CC11OC2CC12C,0.303
CCC(C)C1(C)CC1C,0.3356
CCc1cc(no1)OC,0.2473
CCC12OC(C1C)C2C,0.3175
C#Cc1nc(on1)C=O,0.1812
CC12CC3OC(C1)OC23,0.3454
O=C1OC2C3N4CC13C24,0.2327
C1C2C3C1N1C3C=CC21,0.2239
CC1(N)CC(=N)OC1=O,0.2432
CCCn1cc(nn1)N,0.2155
CCc1c(nno1)O,0.2017
CC(C)(CC(=O)N)CO,0.2709
CN1CC1C1CC(=O)N1,0.2674
COC(C)C(C)CC#C,0.308
CC1COCC2(C)NC12,0.3085
O=C1CN2CC2C2CN12,0.2268
OC12C3C1C1OC2OC31,0.3174
OC1C2C(C#C)N2C1=N,0.2352
CCC(C)(C=O)C(N)=O,0.2017
CC12OCC34CC(C13)C24,0.3188
CC1CCC(=N)OC1C,0.2765
CC12C3C4C(N13)C24O,0.267
OC1C(O)C11NCC1=O,0.2013
CC1(C)C2OC3C2OC13,0.3007
CC1OCCC1O,0.302
CCCC1OC(=O)C1N,0.2497
COC1C2CCN2C1=O,0.2203
C1C2CC=CC3OC1C23,0.2434
O=C1NC(C#C)C11CN1,0.2612
OC1CC(=O)C11CN1,0.2064
CC#CC(CO)(CO)O,0.2745
CC#CC1(CC(=O)C1)C,0.2164
CC1CC2=NC(O)=CN12,0.224
C1CC11N=C2NC3C2C13,0.1582
C#CCC1C2COC12,0.2977
CC12C(O)C1C=CC2=O,0.1798
CC(=O)CCC(F)(F)F,0.2365
COC1CN=C(O1)C#C,0.2229
OC1CCC2OC2C1=O,0.1999
CC1C(O)CCCC1=O,0.2256
C1CC1C(=N)NC=O,0.2331
C1CC2C3OCC2C1O3,0.3298
C(c1c([nH]c(=O)[nH]1)O)O,0.2224
CCC1NC1C#CC=O,0.2011
N=COC1CNC1=O,0.2583
CC1OC(=N)C2C(O)C12,0.2676
OC1C(C#C)C11COC1,0.273
CC1C2(C)CCC12C,0.3192
CC1(CC(C1)C=O)C#N,0.2221
COC1CC2C(CO)C12,0.3211
CNC1(C)COC1=O,0.2455
CN1CC(N)(C#N)C1=O,0.2417
c1[nH]c2c(n1)c(n[nH]2)O,0.2268
O=C1C2CC3(COC13)O2,0.1981
COCC12NC3C1OC23,0.2949
N#CC#CC12CN(C1)C2,0.2115
CCC1(C)CC2(O)CC12,0.3263
CC(C)C12C3C4C1N4C23,0.2783
[NH3+]C1(CC1CO)C([O-])=O,0.2669
CCC12C3OC1C(O)C23,0.2959
C1CC2(CN3CCC23)O1,0.2788
c1cn(cn1)CCCO,0.2531
N=C1C=CN=C2CCN12,0.1829
CC1(CC1)n2cccc2,0.2456
CC1N2CC1(O)C2C#N,0.2703
CC(C)(C#N)C1CC1,0.3407
CC12CC3(C1)OCC3O2,0.299
COCC1(CN1)C1CO1,0.3175
O=CC1C=C2CC3C1C23,0.171
COC(=O)N1CC1C=O,0.212
OC1C2CC3OC2C13,0.3077
C(#N)c1c(c([nH]n1)N)O,0.2015
CCC1(COC1=O)OC,0.2586
CC#CC(C)CC(C)=O,0.2239
CC#CC(=O)C(C)O,0.2034
OC1C=C2CC3(O)C1C23,0.1782
CC(C=O)C1OC1C#N,0.223
Cc1c(c(n(n1)C)C)N,0.234
CC1CC2OC2C11CN1,0.3133
CN(C)CCC(=O)C#N,0.1415
CC1C2N(C)C(=O)C12C,0.2466
CC1OC(=O)C2CC12O,0.2693
CC(C)C1CC1C(C)=O,0.2293
O=C1CC2N3CC3C2=C1,0.1881
Cn1c(=O)c(cnn1)F,0.1862
N=C1OCC11CN1,0.2698
CC1=C(CC(O)C1)C#N,0.2173
COC(CO)CO,0.3127
CC1NC11CC2(CO2)C1,0.3043
CCC1N(C)C(C)C1=O,0.208
CC1OC11C2C3CC1N23,0.3148
CC1C2OC3C1(O)C23O,0.2765
CC1CC2(CN12)C=O,0.2137
CC1(OC2C(O)C12)C=O,0.2041
CC12CCC1CC21CO1,0.327
NC12CC(C1)OC2=O,0.2537
CNc1conc1C#C,0.1804
CC1(O)CC(=NO)C1O,0.2455
C1CC2OCCN=C2N1,0.2499
c1nc(n(n1)CCO)N,0.2451
Cc1c(cn[nH]1)N(C)C,0.2378
CCC1CC1(C)C1CC1,0.3381
COC1=NCC(=O)N1,0.2474
CC12CC1C1C(C#C)N21,0.2415
N#CC12CN3C(C=C1)C23,0.2286
CC12COC(C1)OC2=O,0.2748
Cc1nc(on1)OC,0.2606
OC12CN(C1)C21CCC1,0.3108
CC12CN3CC4C(C13)N24,0.2735
CC#CC1CC(C)C1C,0.2934
CC1N=C(C)OCC1=O,0.2081
OC1C2OCC(=O)OC12,0.244
COC1CC2(C)CC1O2,0.3242
CC12CCC1(N2)C=O,0.2183
Cn1c(=O)ocn1,0.2392
CC#CC1(O)COC1=N,0.2609
CC1=CC(=O)C2CC12O,0.1866
C1CC23OCC4C2N4C13,0.3008
CC1CC2CCCC=C12,0.2564
CC12CCC(O1)C(O)C2,0.3175
CCC1C(O)C1C#N,0.2987
CC1C2C(O)C1C21CO1,0.3256
Cc1cc(on1)C#N,0.2161
COC12CC1OCC2C,0.3012
N=C1OC23CC(C2)OC13,0.2636
CC1(CC2CN2C1)C#N,0.2797
CCC1=NCC(C)O1,0.2699
C#Cc1ccoc1,0.2173
CC1(C)OC1(CN)C#N,0.2633
CC12C3C4C(C1C3O)N24,0.2976
CC1C2OCC2(O)C1=O,0.2133
CNC(=O)CN1CCC1,0.2656
CCC1C=CCC1(C)O,0.26
CC1C2OCC3(CO3)C12,0.3133
CC1COC1C(O)C#C,0.2682
CC1CC=C(CO)C1=O,0.1979
COCC#CCNC=O,0.2701
CC1=CN2CC2CC1=O,0.1813
FC1=NC(F)=NC(=N)O1,0.2153
c1c(=NO)cn[nH]c1F,0.1557
CC1CC2NC2C1C=O,0.2162
C1NC1C12CN1C1CC21,0.2847
CC1CC(C)(O)C2CN12,0.2976
CCC1OC(C=O)C1=O,0.2023
CC1C2CC1(CO2)C=O,0.2137
CCCC(=N)OC(C)=O,0.2439
CC1NC1C(C)=O,0.2228
C1CC(=O)C=C1,0.1938
O=C1OC2CC2C1C#C,0.2637
N=C1OCCC(O1)C=O,0.2083
CC1CC(N)(C=C1)C#N,0.2591
Cc1cnc(=O)[nH]c1C,0.174
CN1C(=O)CC=C1C#C,0.1774
CC1(O)CCC1C(N)=O,0.27
C#CC12OC1C1CCC21,0.2572
CC1CC1N1N=CN=N1,0.2494
CC1(O)C2C(=O)NC12C,0.2508
OC1(CCN2CC12)C#C,0.2588
CC12OC3CC(C13)C2=O,0.2017
CC(C)C1(CC1)NC=O,0.2758
CC(=O)C(=N)NC(=O)C,0.1654
CCn1cncnc1=O,0.2013
OC1=NC=CC=CC1=N,0.1515
OC12CC1CC=C2C#N,0.2081
OC1CCC(=C1)C#C,0.209
CC[NH2+]C(C)C([O-])=O,0.2681
CC1N2C3C2(C)CC13O,0.2983
C#CCC1(CCO1)C#N,0.2721
CC1OCC2NC1C2=O,0.2242
CC1CC2CC1(C2)C#C,0.3001
CCN1CC2(C1=O)CC2,0.2734
C1C2C=CC3CC3C12,0.2465
CCC1C(=O)C=CC1=O,0.154
CC1CCCC1C1CO1,0.3392
C1OCC2CC1CC=C2,0.2652
CC1(CCN=CO1)C,0.2765
CC1(O)CC2(CC2)C1O,0.3191
CN1C(=O)C2CC12C,0.2477
OCC(O)C1CC(=N)O1,0.2817
O=C1CC(CCC#C)O1,0.2762
CN1C2C1C1CC2CO1,0.3065
CCCc1cccnc1,0.228
OCC1(CC(=O)O1)C#C,0.276
CC12C3CC1C3C21CO1,0.3475
CC1C(O)C11OCC1=O,0.2122
C1C2OC22CC1CC=C2,0.2399
CC1C2C3C=CC2(C)N13,0.2066
CC1C2C3N1CC23C,0.3037
CC#CC1(C)CC1(C)O,0.2809
COC1COC(C)CO1,0.3275
CCC1CC2(CC12)OC,0.3283
CC1CC(N(C)C)C1=O,0.1925
CCc1nc(co1)CO,0.24
OC12C3OC1C3NC2=N,0.243
C(C(=N)NC(=N)C=O)O,0.1655
CC12CCC1(C)C(=N)O2,0.2866
CC1C2COC1(C)OC2,0.3248
CC1C=C(CO)NC1=O,0.2115
CNC(=O)C1(C)CCO1,0.2667
OCCC12NC3C1NC23,0.2869
CC1(OC1C1CN1)C=O,0.2137
CCC1CC11COC1=O,0.2783
c1nn(c(=O)o1)C2CC2,0.228
CC1CC2C3OC(C1)C23,0.3064
N=C1N2C3CC1(C#N)C23,0.2687
CC(O)C1CCOCO1,0.343
OCC1CC(CO1)C#C,0.2975
CC1OC2(CC12O)C=O,0.2167
O=CN1C2CC(C2)C1=O,0.2231
OCCOC(C=O)C#C,0.2066
CC1C2C3CC3N12,0.2781
CC(NC=O)C1CO1,0.2812
CCC1(CC(=O)C1)C=O,0.2148
C1CC1C2(CC2)OC=O,0.2595
CCC(O)C(C)(O)C#N,0.2938
CCC1(CC1C)NC=O,0.2745
CC#Cc1cnn(n1)C,0.2141
CCC1CC2CC(C2)C1,0.3508
OC1=NC(=N)C=C(F)O1,0.2209
OC12CCC34OC(C13)C24,0.2907
OC(C#N)C(=O)NC=N,0.2297
N=C1NC(=NC=N1)C#C,0.1539
CN1C2CCC3OC2C13,0.2827
CC1=CCC2CCCC12,0.26
OCC#CC12CC1OC2,0.2499
O=CC12CC1C(=O)NC2,0.2163
CC1(O)C(O)CCC1O,0.3164
O=C1OC23COC2CC13,0.2633
CC(C)C1CC(O1)C#N,0.2787
c1cn(c(n1)O)C2CC2,0.2455
c1c[nH]c2c1cc([nH]2)O,0.2211
CC(O)C(=O)C#CC#N,0.1716
CC1=C(COC1)CC#C,0.243
C1CC1OCCCO,0.3213
C#CC(C=O)C#C,0.2157
C1OC2C3OC12CC=C3,0.2307
CCN=CNC(=O)OC,0.2495
CCN1N=CC=CC1=N,0.1521
O=C1C2C3CC1(C#N)C23,0.241
C1C2C3C1C21C=CCC31,0.2427
CC1C=C(C)C(C)C1C,0.2548
COCC1CC1OC,0.3334
CC(=O)C(C(=O)C)O,0.2019
CC12NC1C=CC2C=O,0.2067
N=C1OCC2(CO2)C=C1,0.2054
CC(=O)CC1=NCCO1,0.2337
CCC(=O)NC(C)C#C,0.2706
CC12C3C4C3C1C(O)C24,0.3083
COC1C2CC3OC2C13,0.3198
Cc1c[nH]c2c1[nH]cn2,0.2087
CC1(O)CC1CC#C,0.3038
C1CC1C#CC1CO1,0.2636
CC1NCC2CC2C1=O,0.1956
CC1C2C(C=O)C2C1=O,0.2073
C1C(N=CO1)(CO)CO,0.2546
CCC1(CC(=O)O1)C=O,0.2212
CC#CC(N)C(F)(F)F,0.2927
O=CC#CC(=O)C1CO1,0.1953
CC1(C)OC2CCC12C,0.3103
CNc1ccon1,0.2223
CCCCC1CNC1=O,0.2804
O=C1NC23CC2(CC3)N1,0.2807
CC1CC(C=O)=CCO1,0.1962
CC1C2(C)CCC12C#C,0.2629
CCC1(C)C2OC1C=C2,0.2308
N=C1CCCCCO1,0.2766
CC1CC2(CO)CCC12,0.3285
CCCCCOCC,0.3377
C1Cc2c(nc([nH]2)O)C1,0.2432
CC(O)C(O)C(O)CO,0.2877
CNc1cnc(nn1)N,0.1464
CCc1c(nc(o1)O)O,0.229
CC1CCC(=O)CC1,0.2232
CC12C3C4C(C(O)C13)N24,0.2986
CC1OC1CC(F)(F)F,0.3591
NC1=NNC=NC1=N,0.1878
c1nnc2n1c(no2)O,0.2257
CCNc1c[nH]nn1,0.2091
CNC1CC(C)OC1=O,0.2455
COC1C2OCC12C#C,0.2584
C#CC1C2CCCN12,0.2577
OCC1(CC1O)C1CC1,0.3134
c1c2cnoc2oc1N,0.2168
CC1C2CC1(C)OC=N2,0.262
CC1COC(CC#N)C1,0.2961
N#CCCOCC1CO1,0.3072
OCCC1OCC2NC12,0.3106
C1C2C3OC22CCCC132,0.2999
OC1CC(C2CN2)C1=O,0.2091
COC(C)(C=O)C(N)=O,0.1949
C1CC12C(=O)OCO2,0.2609
OCC1CC(=O)C(=N)N1,0.1744
OCC1C2OC3C2C13O,0.2733
CC12COC11CN2CC1,0.2612
c1cc(nc(c1)N)C#N,0.1776
OC1C2OC3C2COC13,0.2927
CN1C=NC2(CC12)C#N,0.238
CC1N=COC1C1CC1,0.2693
OCC12CC(C1)(O2)C#N,0.2596
c1nc2n(n1)CCC2=O,0.1993
CC1(CCCC1)COC,0.3253
CC1CC2COC1C2=O,0.2072
CC12COC1(CO2)C#N,0.2545
CC1CC2(O1)C1COC21,0.2761
CC#CC1OCC1C,0.2718
CC1CC2OC12C#C,0.2631
Cc1c(cc([nH]1)C#C)O,0.1829
c1[nH]c(c(n1)O)CC=O,0.1588
OCC1CC(O)C1C=O,0.2116
CCc1cncc(n1)F,0.2069
O=CC1C2OC3(CC3)C12,0.215
CCC1=CC2OC2C1,0.2413
CCC1(CC=O)CC1C,0.2238
C#Cc1cc(oc1O)N,0.2093
CC12CCC1C=CCC2,0.2621
CC1=COC(=N)C=N1,0.1594
CC1=CCC(CC#C)C1,0.2603
CC12CN3C(C13)C2CO,0.301
C#CCN1C2C3NC2C13,0.2611
OC1C2C3CC2(O)C13O,0.3085
CC1=CC(=NO)C2CC12,0.1853
CC1(C)C(=N)OCC1=O,0.2181
CC12CCC1CC(=O)C2,0.2226
O=C1CC23CC4C2C1N34,0.2182
N#CC12CN1CCCC2,0.2677
OC1C2N=CN(C=N)C12,0.1998
CCC(CC(C)C)C#C,0.3135
C1C23COCC12C1OC31,0.2724
O=C1NC2CC2C=C1,0.2042
CC12COCC1C1OC21,0.3127
C1C=CC=CC(=O)N1,0.1802
CC1COC(=N1)C1CC1,0.2592
CC(O)CC#CC#C,0.2281
OC1C=CN2C=CC=C12,0.1865
O=C1C=CCOC1C#C,0.1765
CN1CC1CCC#N,0.2715
C1C2OC2C2=NOC=C12,0.2425
CC(O)C1(C)NC1(C)C,0.3
CC#CC1CCC2CN12,0.2792
CCC1=CCOCCC1,0.2464
Cc1ncc(nn1)NC,0.165
CN1CC11COCC1=O,0.2005
OCC12CC1CC2C#N,0.2973
CC(C)(C#CCC#N)O,0.2867
CC(=O)CC(=O)COC,0.2082
N=COCC#CCC#N,0.2745
O=C1CC2C(C3CN3)N12,0.2333
CN=c1[nH]c(=O)nno1,0.1595
COC1C2C1C(=O)C2C,0.2268
CC(CN1CC1C)C=O,0.2066
CCCNC(=N)C=O,0.1698
Cc1nc(cn1C)O,0.2223
CC1(CN1CC#C)C#N,0.2705
O=C1CC2C1CCC2=O,0.21
CC1CN=C(N1)C=O,0.1646
CCC12CC(C)(O1)C2O,0.3292
N=C1OC=CC(=N1)C#N,0.1487
CC#CC1CC(CO)O1,0.2686
C(CN(C=O)C=O)C#N,0.2153
CC1C2(C)CCOC12C,0.3067
CC12CC(C1)C(O)C2=O,0.2183
COC(CO)CC1CC1,0.3235
CC1CCC(C=O)C=C1,0.2097
CC(O)C1=NOC=N1,0.2461
CC1=CCN2CC12C#N,0.2357
O=CC1=CNCC2OC12,0.1869
CC1(CO)C2C3CC2C13,0.3353
CC1(C#N)C2CN=CN12,0.2318
O=CC1CO1,0.2217
CC12CC1(OC2=O)C#C,0.2437
CC1C=CC2=NC=NN12,0.196
OCC#CC1C2CCN12,0.2476
c1(c(c([nH]c1O)O)N)N,0.2126
N=COC1=CN=CN=C1,0.2032
C(C=O)C#CC#N,0.217
CNC(=O)C1CCC1O,0.2645
O=C1OCC=C2CCC12,0.2402
C#CC1COCC11CN1,0.2829
C[NH2+]CC(C)C([O-])=O,0.1479
CC1OC2=NCC(C)C12,0.269
COCCC1(C)CCO1,0.3195
OC1C2OCC11COC21,0.3038
COC1C(O)CC1=NO,0.2441
c1[nH]c2c(n1)NCCC2,0.2154
CC1C2CC2C=C1C,0.2439
c1cncnc1O,0.2284
[NH3+]C1(CC1O)C([O-])=O,0.2677
C#CC1NC=NC11CC1,0.2337
CCC1(CC2NC12)C#C,0.2848
OC1CC2C3CN3CC12,0.2778
CC12CC1C1(O)CC21O,0.263
CC12NC3=NCC1(N)C23,0.1764
CC(C)(CC=O)C(=O)N,0.2177
Cc1cncc(n1)C#N,0.1888
CC1OCC(O)C1C,0.3038
Cc1nc(=O)nnn1C,0.1688
CC(O)C1CCCOC1,0.3089
O=CN1CC2CC2C1=O,0.2187
C1CC2OC3CC2C1O3,0.3283
CC12C3OC1C3OC2=O,0.2419
NC(=O)C1(CC1O)C#N,0.2554
OCC1NC(=O)C11CN1,0.2597
C1CC(C1)N=C(C=O)N,0.1803
CC1=CC2(CN2)C(=O)N1,0.1961
N#CC12CN1CCOC2,0.2635
CC12CC1NC(CO)=N2,0.2483
c1(c(=O)[nH]nc(n1)F)N,0.177
CC1C2COC(C)C12O,0.3176
CC1(CO1)C(=O)C#C,0.1979
C1CC2=CC3OCC3C12,0.246
Cn1cnc(c1O)C#C,0.2176
Cc1cnc(o1)N=CN,0.1805
C#CC12OC3C4C3C1C24,0.2661
CC1NCCOC1=O,0.252
CC1NC(=O)C1OC=N,0.2591
C#CC(CC=O)CC=O,0.2095
C1C2OC3OCCC2C13,0.3319
O=CN1C2CC2NC1=O,0.2383
CC#CCC1CC2CC12,0.3004
OC(C1CN1)C1CCC1,0.2883
CCCC1C2CC2C1C,0.3347
OC1CC2NC2C11CC1,0.3125
CC1C(C=O)C1(C)C#C,0.2142
CC1C2CC2C1C(C)=O,0.2189
CC12CC3CC1(C)C23,0.3269
O=C1OC2C3CN3CC12,0.2458
Cn1cc(cc1O)C#N,0.2092
CC(O)C1=COC(=N)N1,0.2128
CCC(O)C(N)C#N,0.2972
N#CC1CC1CN1CC1,0.2727
OC1C(O)C1(C#N)C#N,0.2634
CC1(N)COC1(C)C#N,0.2647
c1cc2n(c1)CCC=C2,0.1774
O=C1CC2NC1CC=C2,0.202
OC1CC2CC(O)CC12,0.2948
C1CN=C(C(=O)C=C1)N,0.1545
C1NC11C2COCC1N2,0.2987
C#CC1CCCC1C#N,0.2964
CC12CC3CN3CC1O2,0.3079
CN1CC2CC1(C2)C#N,0.2489
COC1C(O)CC1C#C,0.294
CN1C(=N)C2NC2C1=O,0.2299
CC1CC(=O)CNC1=O,0.2196
CN1CC2CC(=NO)C12,0.2184
CC(CC#N)C1CCO1,0.2975
C1CC23OC12CC=C3,0.2314
OCC1(CN2CC2)CO1,0.3183
CC12OC3C1C1(CC1)C23,0.321
CC1(COCCOC1)C,0.3193
CCCC1C(C)C1CO,0.3272
C1CC11N=COC2CC12,0.2557
CC1CC(O)C(CO)O1,0.3033
CN=C1NC=NC(C)=N1,0.1724
Cn1c(coc1=O)C#N,0.189
c1c([nH]nc1N)C=O,0.1572
CC1C2CC3CC2C1O3,0.3191
CC1OC(=O)C(O)C1=O,0.2108
C#CC12OCC3OC1C23,0.2412
CCC12CC1CCC=C2,0.2512
CCC1(O)CC2OCC12,0.3053
CC1OC1COC=O,0.2798
CN1C=NOC(=N)C1=O,0.1948
CCC(O)C#CCOC,0.284
CN=C1NC2(CC2)C1O,0.2488
CCc1cnn(c1C)C,0.2492
CC1COCC1NC=O,0.2746
N=C1ON=CN1CC#N,0.2265
CC1OC(=N)C(CO)=C1,0.2204
C#CC12CCC1C1NC21,0.2683
CC1=CCC2N=COC12,0.258
O=CN1C2CC1CCC2,0.2661
CC(O)C12CC1C(=N)O2,0.2777
CN(CCC#C)CC=O,0.2038
CC12CCOC1=NCC2,0.2716
C#CC1CC2CCCC12,0.304
C1C2CC3OC3COC12,0.3059
C1CC11N=C2OC3C2C13,0.1503
[NH3+]C1(C2COC12)C([O-])=O,0.2651
OCC1(O)C2OC2C1=O,0.2
CC1OC2C(CC#C)C12,0.2936
CCC12OCC1C2(C)C,0.2999
CC1=CC(=O)OC=NC1,0.212
CC(C)C1(O)C(C)C1C,0.3103
C1C2CC3OC=NC2C13,0.2617
Cn1cncc1CCO,0.2454
CCCC1CCC1(C)O,0.3267
COC12CC1C1CC1C2,0.3243
CC1CNC(=N)C1=O,0.186
ON=C1CC2CC12C=O,0.2098
CC12CCC=CC1CO2,0.2579
N=C1OC2C3C4OC13C24,0.2628
OC1CC2CC1(N2)C#N,0.2687
OCC12CN1CCC2O,0.2843
CNc1ccc[nH]1,0.2386
c1c(=NO)c(con1)N,0.1516
CC1CC(CO)OC1=N,0.2803
CC1C2C3C(CO)C2N13,0.2978
C1C2C3CCOCC1N23,0.3067
CC12CC(CO1)C(=N)O2,0.2854
CC1OC1C1=CCOC1,0.2319
C1CNc2c1c(on2)N,0.2353
CC1=C(CCNC1=O)N,0.2026
CC1CCOC(=O)N1,0.3042
COC12C3NC(C13)C2=O,0.2177
CC1OC(=O)C2NC12C,0.2505
CC(=O)OC=NC1CC1,0.2318
C#CC1CN2CC12C#N,0.2543
C1C2CC3COCOC123,0.3282
C1C2OC3COC3=NC12,0.2448
C1CC=C(CC=C1)C=O,0.1954
C1CC23NC4C(OC24)C13,0.2877
CNc1cc([nH]n1)C#N,0.1761
CC1C(=O)CC1(C)C=O,0.2111
CC1CC(C)(C1)C(N)=O,0.2717
CCC1(CC)C(O)C1O,0.2809
CCCC(C)C(C)OC,0.3329
C1CN1C1C2C3CC1C23,0.3188
CCC1(CN2CC2)CO1,0.3191
CCCNc1cc[nH]c1,0.2276
CCOC1CC(O)C1C,0.3206
Cn1c(cc(n1)N)CO,0.2139
COC1COC2(C)CC12,0.3108
CC(NCC1CC1)C#N,0.2696
CC1(CCC1)C(C)(C)C,0.3453
CC1CC2(C)C(C#C)N12,0.2545
CC1=NC=C(O)C(=N)O1,0.1762
CCn1cc(c(c1)O)C,0.2324
CNC=NC(C=O)C#N,0.2021
c1c(cc(nc1F)F)N,0.2356
C#CC(=O)NC(=N)CO,0.2005
N=C1NN=CN=CC1=O,0.1412
C1C2C3CC4C=CC13N24,0.2318
CC12CC(CC11CN1)O2,0.3072
C1NC11C2CC3CC1N23,0.2841
CC12CC1C=CCC2O,0.2444
N#CC12CN1CC1CC21,0.2619
Cc1c(oc(n1)CO)C,0.2339
O=C1CC2CC3CN1C23,0.2455
CC#CC(C#C)C#CC,0.2844
CC(CCO)C1CCO1,0.3228
c1c(cc(nc1O)F)F,0.2276
CC(O)CN(C)C=O,0.2665
O=COC1CC2COC12,0.2702
COCCC1(C)OC1C,0.3411
CC(=O)C#CC1CO1,0.2045
CC1OC(=O)NC(C)=C1,0.2282
OC12CCCC1OCC2,0.3206
CC1CC1C1(CO1)C=O,0.2175
CC1CC2N1C2(C)C=O,0.2181
CCCCOCCO,0.3434
OC1CC1C1OC1C=O,0.2158
CC1(CO)C2COCC12,0.3112
CC(C)(C)c1cnco1,0.2431
CCCOC1OCC=C1,0.2617
CCC(C#N)C1(C)CO1,0.3113
OC1CC(C#N)C(=O)C1,0.2208
CC1(O)CN2CC2C1O,0.2944
Cc1c(=NO)cn[nH]n1,0.1638
c1nc(on1)NC=O,0.2264
c1c(oc(c1N)N)CO,0.209
CCCCCOC1CC1,0.3312
CC1(C)CC2OC2C=C1,0.2475
CCc1ccc(n1C)C,0.2312
CN1CC(C1)(C=O)O,0.1781
O=C1C2CC(C2)C1=O,0.1539
CCC1(O)COCC1C,0.3053
CCC(CO)(C=O)C#C,0.2219
CC1(C)CC(O)C11CC1,0.3274
C1OC2C3CCOC1C23,0.3077
C1CC23OC2C=CCC13,0.246
OC1C=CC(O)C1C#C,0.2641
O=C1C2CC2CC11CN1,0.2253
CC(O)C1=CC=NN1,0.2566
CC1CC1CCCO,0.3417
CC1=NC(OC=N)=NO1,0.2388
Cc1c(oc(=NC)[nH]1)C,0.218
C1C2OC3C4CN1C2C34,0.2955
CC1CC2(C)NC2CO1,0.3077
CC(=O)C(O)CC1CN1,0.2136
CC12NC3C(C=C1)C23O,0.2253
CC1OCC2=C1N=NN2,0.2353
CC1OC(=O)C(C)=C1,0.2301
O=C1CC2OC12,0.2179
OC1CC1C1CCC1,0.3312
O=COC12CCC1OC2,0.2559
C#CCN1CCC1C#N,0.2501
O=C1COCC2CC1C2,0.2142
CC1(C=O)C2NC(=O)C12,0.2035
CC1C=C(C)C2CCC12,0.254
C1CC12CCNC(=O)C2,0.268
CC12CC3C1C3(CO)C2,0.3152
CC1(C)[NH2+]CC1C([O-])=O,0.2725
C1CC2C3C4C3C(=C1)C24,0.2107
Cc1[nH]c(c(n1)OC)N,0.2211
Cc1c(cn(c1N)C)N,0.2249
COC(=O)COCC=O,0.2289
CC1=CCCNC1C#N,0.2435
N=C1ON=CC(C=O)=C1,0.1466
CC1C=CC2C(C=O)C12,0.2122
c1c(c(on1)CN)CO,0.24
CC1C2CC1(O2)C(C)=O,0.2197
CCCC(O)(CN)C#N,0.3027
[O-]C(=O)C1(CC[NH2+]1)C#C,0.2533
CCC(C)O,0.335
CC12COC(O1)C1NC21,0.3123
CC1(CC(O)CO1)C=O,0.214
CC1OC1(C)C1(O)CC1,0.3185
OCCNC1COC1=O,0.244
CC1(C)OCCOC1=N,0.2724
CC1(CCCC1)C(=O)N,0.2732
OC1C2CC(C=O)C12O,0.2225
CC(O)CC1OCC1C,0.3153
Cc1ncnc(n1)C,0.2185
CC1(O)CC2C(O)CC12,0.3187
O=C1CCC2CC3C1N23,0.217
CCC12CC(O)CC1O2,0.3365
CCn1cc(c(c1)C)C,0.2451
CC(C)Cn1cccc1,0.2462
CC12CCC(OC1)OC2,0.315
NC1C(=N)OC11CC1,0.2683
O=CC1CN=COCO1,0.2088
N#CCC1OCC11CC1,0.2933
CC1(O)CC11COC=N1,0.237
CC(C)CCC(C)(C)O,0.3251
CN1CC11COCC=C1,0.2393
N=C1CC2OC(O1)C=C2,0.2438
N=C1ON=C(CC=O)O1,0.2148
OCC1OCCCC1=O,0.2103
COCCN=COC,0.2572
CC1OC2(C)C1C2(C)C,0.3103
CC1=C(C)C2NC1C2O,0.2284
ON=C1C(O)CCC1=O,0.1654
OC1CN=C2OCC12,0.2648
CC1C2CC(C)C(=O)N12,0.239
N#CCC12C3CN1CC23,0.2704
CC1C2OC2C11CCC1,0.3359
CCC1CC2NC12C#N,0.2606
CC1=NC=NC(=N)O1,0.1839
O=CC1=CCCC1C#N,0.1921
CC1(CO)OCC2NC12,0.311
CC(O)CCOCC#C,0.2878
CCn1c(cc(n1)N)O,0.2445
CCOCC1(C)CN1C,0.3004
FC1=CC(=N)NN=N1,0.1612
OC(COCC#N)C#C,0.2656
OC(C=O)C1CCC1O,0.2128
CC1N=C(C)OC11CC1,0.2595
CC1CCC1C(C)=O,0.2271
CC1COCC1=NO,0.2518
CC12C(O)C1C1CC21O,0.275
C1OC11CC2C3NC3C12,0.2911
CC1(O)CC1(O)C=O,0.2178
C1C=CCNCC1=O,0.2125
O=C1C2CC2C11CO1,0.217
CC1(CO)C2OC(=N)C12,0.2737
c1c2ncncn2cn1,0.1579
CCOCCC(O)CC,0.3172
CC1(CC1)CC#CC#N,0.2451
CC(C)C12CC(C1)CC2,0.3599
CCc1c([nH]c(=O)[nH]1)C,0.2278
CC#Cc1[nH]cc(n1)N,0.179
O=C1NCC2CC2CO1,0.2972
NC1C(N)C1(N)C(N)=O,0.2356
N=COCC1=COC=N1,0.2479
CC1(CCCC1=O)C,0.22
C1=CC=CC=CC=C1,0.1583
COCCN1CC1C#N,0.2684
CC(=O)C1C2C3CC2N13,0.2207
CCC(CO)OC1CC1,0.3265
CCC(CC)C(=NO)C,0.2562
CCC(=O)CNCC#N,0.2149
c1c(n[nH]n1)C2COC2,0.2425
CCOC1CC1(C)C=O,0.2216
CC1C2OC3(C)C2C13O,0.2786
CCC1C(CC)C1CC,0.3351
C1NC11CC2OC=NC12,0.2558
CC12CC1(C)C(O)CC2,0.3168
CC1CN=C(C)N1C=O,0.2253
CCc1nccn1CC,0.2455
CC1NC1CC(O)CO,0.305
OCC(NCC=O)C#C,0.2135
CN=c1occ(o1)O,0.2498
OC1CCCCC11CO1,0.3096
OCC1C2OCC3C2N13,0.3013
CC12CN3C1C1NC1C23,0.2953
CC1(C)CCC(CO)O1,0.3163
CCC12CC3(O)C1OC23,0.2994
CC1OCC11NC1(C)C,0.3011
CCC1(CC)CCC1C,0.3479
c1c2c([nH]n1)CCC2,0.2478
O=CC1CNC(=O)CN1,0.1871
CC1(C)CN(C=O)C1=N,0.2292
CC1=NC(C#N)C2CN12,0.248
OCC1NC1C(O)C#N,0.2693
CC(=NO)CCCOC,0.2564
CC12CC1C(CC#C)O2,0.285
CC1C2CCC(C)C1O2,0.3043
CC(CCO)OC=O,0.2759
OCC1C2CC1(O)CO2,0.2961
COCCOCCC=O,0.2283
CCc1cn(nc1C)C,0.2504
COCC(C)C(=O)CO,0.2321
C#CC1C2C3CCN1C23,0.2517
COC1(C)C2C3CN3C12,0.2789
C1CC1N(CC#N)C=O,0.2537
CCOC(=O)C(O)C=O,0.2213
CC(=O)CC1(CO1)C#N,0.2284
C#CCC(=O)CCO,0.2329
CC1=CC2OC1C2CO,0.2339
CC12OC1COCC2O,0.3091
CC12CC(O1)C21CN1,0.305
O=C1CC2CCC(C2)N1,0.2672
CC12C3C1C1C3CCC21,0.3248
CCC#CC(O)C1CC1,0.2895
C1=CC=CNC(=O)C=C1,0.1668
CCC(CC=O)C#C,0.2242
CC1C=CC2CC1CO2,0.2465
CNC(=O)C1CC1C#N,0.2653
CN(C=O)C1CCC1=O,0.2021
CC12NC(=N)C1(O)C2N,0.2345
CCC12OC(C1O)C2O,0.3039
CC12CN3C1C(O)C23,0.2908
OC1C2CC3C(O)C3C12,0.2798
NC1C2NC2C1(N)C#N,0.2559
OC(CCC#N)C#C,0.2974
OC12CCC1OC(=N)C2,0.2806
C1CC2=CCCCOC12,0.2457
C1C2OC3C2OCCC13,0.3132
CNC=Nc1nnon1,0.1889
c1c(n2c(n1)CC=C2)O,0.1886
c1nc-2n[nH]nnc2n1,0.1648
OC1CC2(CN2C=O)C1,0.2508
CC1=CNCCC1=O,0.1826
CCC12CC1(C)OCO2,0.3067
COc1ncc(o1)CO,0.2359
Cc1c(c(oc1N)N)C,0.2272
CCC1(C)CCC(=N)O1,0.2844
NC(=N)C(N)(C#C)C#N,0.2481
NC1(C#N)C2C3CC1C23,0.2815
CC1OC(=O)C1O,0.2629
CCC1C2C3NC3C12C,0.2772
C1CC12COC(=N2)C#N,0.198
CN=C1N2C3CC1(O)C23,0.2625
CCC(CO)C(C)=O,0.2293
OC12CC=C3CC1C23O,0.182
Cc1cc(n[nH]c1=O)F,0.1737
CC1CC(=O)C=C(N)C1,0.1972
CC#CC1CC=CC1=O,0.1816
CC1CCC(O1)C1CC1,0.3192
NC(C#C)C1=CC=CO1,0.231
C#CC#Cc1nc[nH]n1,0.1907
CCC1OC(C)C1CO,0.3061
OC1=NOC(=N)C(F)=N1,0.1648
C1CC11C2OC1C21CO1,0.309
OC1CNC(=O)C2CC12,0.2653
CC1=CCOC1=N,0.2201
CC1CC1C1=CN=NO1,0.2184
[NH3+]C1CC1C([O-])=O,0.2734
O=C1CN=C2NCC2C1,0.2064
OC1=NNC(=O)NC1=N,0.1897
CN1C2C(C#C)C2C1=O,0.2359
COC1C2NC3C2NC13,0.2854
C1OC11CC2=CCCC12,0.244
Cn1c(coc1=O)N,0.2393
CC#CC12OC1CC2C,0.2591
COC1COCC1=NO,0.2396
N=C1OC(=O)COC1=O,0.2192
OC(C#N)C1(CN1)C=O,0.225
c1c(cn(n1)C2CC2)N,0.218
Cc1nc(=O)onn1,0.1579
Cc1ccc(c(c1)C)C,0.2325
C1C2C3CC22OCCC132,0.3263
COC1(C#C)C(C)C1C,0.2707
CC(=O)N(C)CCC=O,0.217
NC1=CNC(=N)N=C1F,0.1463
[O-]C(=O)CC1C[NH2+]1,0.2746
N#CC1C2CC3NC3C12,0.2769
C#CCC1CNC1C#N,0.2622
CN=CNc1ncno1,0.2179
N#CC12CN1C1CC2C1,0.2753
CC1C2OCC(O)C12O,0.2955
COC1C2CC1(C)N2C,0.3034
CC(=O)CC1CCO1,0.2284
N=C1OCC11CCO1,0.2628
CC(C)(C#C)C#CCO,0.281
[NH3+]C(C1CC1)C([O-])=O,0.2671
Cc1cc(oc(=O)n1)F,0.1925
CCC12CC1C(C2)C=O,0.2251
CCC(C)(CCO)C#N,0.313
CC(C)(C)C12CN1CC2,0.3038
CC1N2CC(O)C12C=O,0.21
N#CCC12NC1C1OC21,0.2551
CC12OC1C(C)(C)C2O,0.3262
CC1(C=CCC1=NO)C,0.2485
Cc1[nH]c(c(n1)N)CO,0.2088
CC1(CC1C#N)C#C,0.2692
OC(C=O)C1CC2CN12,0.2045
CC1CC1C#CC(N)=O,0.2315
COC1CC(=O)C(C)O1,0.2204
NC12CC3NC1(C#N)C23,0.2409
N#CCN1CC1C1CN1,0.255
c1c(non1)N,0.2173
CC(CO)C1NC1C#N,0.2777
CC(=O)C1(CC1)CO,0.2312
CC1CC2(C)C(C#N)C12,0.3048
NC12CN(C1)CC2C#N,0.2666
CC1(C)C2CC3CC2C13,0.3551
CC1CC2(O)CC12C#C,0.2539
COC1C(O)C1(C)C#N,0.2773
CCC1CCCC1OC,0.3221
CN1CC1(C)C(=O)C#N,0.1652
COC1(C)C2NC(=O)C12,0.25
CC1C=CC2OC2C1O,0.2396
COC1CCC(C)=C1,0.2597
CN1CC2(C)C3C1CN23,0.2883
C1CC11OC2CC12,0.3049
CC1C(C)=CC2NC12C,0.241
Cc1cc([nH]c1C=O)N,0.1672
OC1CC(C#N)C1C#N,0.2942
COCCC1(CC1)C#C,0.2945
c1c[nH]c2c1C=CCO2,0.1769
CC1CCC1CC(N)=O,0.2777
OC(CNCC=O)C#N,0.2251
CN=C1N=CN=CN1C,0.1702
CCC#CC(=O)CC#C,0.2066
OC1C2C=CC1C2C#N,0.2324
O=CC1=CC2C3C1CN23,0.1759
CCOCCCCC#N,0.2951
OC(C#C)C1CC(=O)C1,0.2235
C1C=CC(=NCCO)O1,0.2019
CC(C#C)C(O)CC#C,0.289
CC1CC(C1)(CO)CO,0.3011
c1c(onn1)CO,0.2331
CC1NC(=O)C=C1C,0.2169
C(C#N)OC(=O)C=O,0.1822
C1CC(O1)C1=NC=CN1,0.243
C(C1CN1)C1=CON=N1,0.2072
CCN1N=CC(=N)N=N1,0.169
CC12CC1(O)CC2,0.3214
C1C2OCOC1C=C2,0.2446
CC12OC1C1(CO)OC21,0.2894
OCC1(O)CC2CC12,0.3004
CN=C1N=NNC=C1C,0.1613
CC1OC2C1COC2=O,0.2445
CC1(O)CC1(C)CO,0.3214
CC1(C=O)C=CCC1=O,0.1995
Cn1cc(nn1)N2CC2,0.2398
O=CC1OC1C1CCC1,0.2163
OC12C3CN(C13)C2=N,0.257
CN1CC2OC(C1)C2O,0.2562
CC1=CC(=N)NN=C1O,0.1535
COCc1c[nH]cc1N,0.2251
CC(O)C1CC(C1)C#N,0.3058
C1CC1N2CCNC2=O,0.2912
c1cnc(nc1)CC=O,0.1999
OC1CC1CCOC=N,0.2824
c1c(cc(nc1F)F)O,0.2432
C#CC1=CC(=O)NCC1,0.1845
OC1CN2CC12C1CO1,0.3019
O=CC1(C#C)C2CCN12,0.2014
OC12C3C1C1=CCN3C21,0.1791
OC1CCCC(=C1)C#N,0.2238
CCC(C#C)C(=O)C=O,0.1523
CN1C2CC(O)C(=O)C12,0.1973
CCC1=CCCC2CC12,0.2483
CCC(O)CCC(N)=O,0.2801
OC1C2CC1CC(O)C2,0.3178
COCC(O)C(=O)C#N,0.1784
CCc1nc(no1)C=O,0.1923
COCC(OC)C1CO1,0.3305
NC1(CCC=C1)C#N,0.2448
NC1CNC1(C#N)C#N,0.2387
C#CCCC1CCCC1,0.3156
CC1OCC11NCC1=O,0.2105
c1c(onc1N)CC=O,0.1997
ON=C1C2CC2OC1=O,0.1985
C1C=C(COC1=O)C#N,0.2187
OC1CN2C1=NOC2=N,0.2184
CC1CC(O1)C#CC#C,0.2181
CC1CC(O)C11CO1,0.3101
COc1ccc([nH]1)C=O,0.1724
CCCC1CCC1(C)C,0.3543
CC1NC1(C)C(C)=NO,0.2409
COCC1=CC(C)CC1,0.2585
Cn1cc2c(n1)ocn2,0.214
CC1(C2CC2)C2CCC12,0.3281
C1C2CCCCC1C=C2,0.2589
C1C2=CC3C=C1C1C2N31,0.0835
Cc1cc(c[nH]1)CC=O,0.1937
c1c(c(on1)C(=O)N)N,0.1775
CC1(OCC2(O1)CC2)C,0.3248
OC1C2CC3COC2C13,0.304
ON=C1C2CC1C2C#N,0.2663
O=C1CC2OC=NC12,0.2064
C1C2C3OCOC1C23,0.3203
CC(=O)C1N2CC1(C)C2,0.2105
CC1(C)C2OC3CC2C13,0.3231
C(COCC#CC#N)O,0.2206
CC1=CCCC(=NO)C1,0.2502
OCC1NC1CCC#C,0.303
C1C2CC3OC2C1CO3,0.3207
CC12CC1(O)CC2C#N,0.2933
c1cn[nH]c1CCO,0.2583
C#CC12CC3CC1CC23,0.2854
Cc1ccn(c1)C(=O)N,0.2078
O=C1OC23CC4C2CC134,0.2422
CC(CC1CC1O)C#C,0.3121
OC1C2CCC3(CO3)C12,0.3196
CCC12C3C1C1CC3C21,0.3219
CC1=N[N-]C(N)=[NH+]C1=N,0.1826
CC1CC2=C(N)C=NN12,0.2252
CC1=CC(C=O)C2OC12,0.2097
CCC1(CCOCC1)C,0.3167
CC(C)C12CC1CC2C,0.3206
C1C(C(=O)N1)(CO)CO,0.2684
C#CCc1[nH]cc(n1)N,0.2197
CC1COC(C)(C)CO1,0.318
CCC1COC(CO)C1,0.3198
c1cnccoccn1,0.1628
C1CCC(C1)(CC=O)O,0.2239
C1CC23N=COC2CC13,0.2479
CC(C)NC(=O)NC,0.302
CC1CC(O1)C(N)=O,0.2648
Cc1cnoc1CO,0.2346
CC1(O)COC1C#N,0.2702
CC1OCC1COC=O,0.2604
O=CC12CC3C(O1)C23,0.201
CC(C)C1=NCCCO1,0.27
CC1OC11CCC1O,0.3104
COC(C)(C=O)C#C,0.2051
c1c(nc(o1)CC=O)O,0.1872
N#CCN1CC2CC12,0.2574
CC1CCC2=C1NC=C2,0.2375
CC1CCC2OC12C#N,0.2891
Cn1c(nc(=O)nn1)N,0.1708
NC(C#N)C(O)C1CN1,0.2688
OCC1OC1CN1CC1,0.3155
CCC1CC(=O)C=C1,0.1917
C1CC1CCC2COC2,0.3217
O=C1OC2CC2C11CO1,0.252
CN=C1NN=CC(N)=N1,0.1513
OC1CNC2=C1N=NN2,0.2214
COC1(C)C2C3NC3C12,0.2632
CN1C2CC2(CO)C1=O,0.2456
NC1(CC[NH2+]C1)C([O-])=O,0.2711
CC1CCC(=O)N1C=N,0.2211
CC(C=O)C1CCC1O,0.2261
O=CC1CC2OC2C=C1,0.2199
CCC12CC(OC1)C2C,0.3151
CC#CC12CC1OC=N2,0.2433
OC1C2COC1C2C#C,0.2869
CCC(O)C1CC2OC12,0.3165
OC1C2C3CCC1OC23,0.2848
CC(C)(C#N)N1CCC1,0.2706
OCCC(CO)C=O,0.2226
Cn1ccc(cc1=O)F,0.1855
O=C1C2C3CN1C23,0.2453
CN=c1[nH]cc(o1)C=O,0.1553
O=C1CCC2CN2C=C1,0.1831
COC(=O)CCCC#N,0.2868
CC(=O)C12CC1(O)CC2,0.2101
CC1CN(C=O)C1(C)C,0.2685
CN=COCCN1CC1,0.2732
CN1C2C(O)CC12C=O,0.2161
CC1CC2NC2C=C1C,0.2449
OCC1OC2CC12C=O,0.2198
CC12CC3(C)C1OC23C,0.3084
CC12CC3(C)COC1C23,0.3113
C(C(=N)NC(=O)CO)O,0.2338
CC(O)C12CC1NC2=O,0.2527
COC(C#N)C(N)=NC,0.2413
Cc1nc2c(o1)cc[nH]2,0.1998
CC1(C)OC2C(O)C2O1,0.2963
CC#CC(CO)CC#N,0.2722
CC12C3C4C(C13)N24,0.282
CCC1OC(C)CC=C1,0.2652
CC1OC(C)(C)C2OC12,0.3385
CC1NC(=O)C(CO)=C1,0.2243
CN1CC(=O)CCC1=O,0.2147
C(C=O)NC(C=O)C=O,0.1899
C1CC1C1CC=CCO1,0.2668
CC1C(C#N)N1CCO,0.2636
N#CC1C2CC2N2CC12,0.2798
C1CC11C2C3CN2C13,0.311
CC12C3CC(=CC1=O)N23,0.1697
CC1C2N1C(C#N)C2=O,0.2153
CC(C)C1CO1,0.3501
CCC12OC1CC2OC,0.3193
c12c([nH]nn1)nc([nH]2)N,0.203
CC#CC#CC#CCO,0.1772
CC1OCC(CO)C1=O,0.2141
Cn1cncc1C(=O)N,0.2139
OCCC1(O)CNC1=O,0.2621
OC1C2OC1C2NC=O,0.2782
CCC1C(C#N)C2CN12,0.2727
N=COC(=O)COC=O,0.2435
CC1CC(O1)C(C)=O,0.2171
OC1C2OC1C2OC=O,0.2698
CC12CC(O)(C#N)C1O2,0.2785
OC1CC23NC4C2OC134,0.2643
C(=N)NC(=O)C(F)(F)F,0.2206
CC1C2C3CC1(O)CN23,0.289
CC(C)(C1CN1)C(N)=O,0.2637
OCC1C2N1CC21CN1,0.2941
C#CC(=O)N1CCCC1,0.2174
N#CCNC1C2CC1C2,0.2643
N=CN1CC(C=O)C1=O,0.2107
FC1=NC(=O)NC(=N)O1,0.2337
[O-]C(=O)C1C2C3[NH2+]C2C13,0.2647
NC1=NC=C(F)C(=N)O1,0.1779
CC12COC1C1CCC21,0.3043
N=C1CC2(CC2C#C)O1,0.2695
CN1CC11C=CCC1O,0.2352
CCC1=C(O)NC(=N)O1,0.2261
CC12CC(O1)(C=C2)C#C,0.2336
O=CC12CN(C1)CC2=O,0.1954
CC1=CC(O)CN1C=O,0.2114
OC1=NC=NC(=N)O1,0.1946
CC12CC1C1=CCOC21,0.2312
COC=NC1CC1C#N,0.2515
C#Cc1cc(co1)N,0.1814
CC1CCC2(CO)NC12,0.2967
C1CC23CC4CC2N4C13,0.2818
O=CC1CC2(CC12)C=O,0.2085
O=CC(C1CN1)C1CO1,0.1924
CC1OC2C3NC3C=C12,0.2308
CC(O)C1(CO)COC1,0.3008
O=CC1CC(=O)C11CC1,0.2182
CC(CC(C)=O)NC=O,0.2121
CC1(CO1)C1=NC=CO1,0.2335
ON=C1COCC(O)C1,0.2482
CC12CC1(OC2)C1CN1,0.2957
CCOC1COC1=O,0.2516
O=C1C2OC3C4C(C23)N14,0.2139
OCC12CN3C1C=CC23,0.2059
CC12CC1C(C)(C2)C#C,0.3013
CCC12OC1C1CCC21,0.3215
CCC1(O)C2OC1C2O,0.2873
CC1OCC(=N)OC1C,0.2742
CCC1C(CC)C1(C)O,0.3132
CC1=CC(O)C=CC=C1,0.184
COC(=O)C(N)CC#C,0.2493
Cc1c(nn(n1)C)OC,0.2255
OC1C2CC3N2C13C=O,0.2122
OCCCC12CC(C1)O2,0.3101
N=C1NC2(COC2)CO1,0.2891
CC1(C)C(O)C2OCC12,0.3013
Cc1[nH]c(c(n1)N)OC,0.2217
C1COCC2NC2C1,0.3178
CC(C)Cc1ccon1,0.2519
CC(=O)N1C=NOC1=N,0.202
CC1C(CC#N)N1C,0.2649
Cc1cnn[nH]1,0.2527
C#CCCc1ccoc1,0.2418
CC1(O)COC1C=O,0.2153
CC1OC2C(CO)CC12,0.3144
C1C2CC3CCCC2C13,0.3591
CC1NC11C=CCC1O,0.2401
CC1C(O)C2CC=CC12,0.2546
O=C1OCCC2CNC12,0.2406
CC1CCCC1(O)CO,0.3106
Cc1cc([nH]c1C#C)C,0.1955
C1C2CN=COC1C=C2,0.2379
C(CCO)CC#CC=O,0.2053
O=C1C2CC11NCC1N2,0.1924
CC1(C)C2C3NC3C12O,0.2723
CC12C3C4C1C4(C=O)C23,0.2079
CC(O)C1COC1C#N,0.2821
C#Cc1ncc(nn1)N,0.1673
c1[nH]c(c(n1)O)O,0.2198
CC1OC2(COC2)C1=O,0.2093
O=C1CN=C2NCC2N1,0.2441
C1CC1C#CCCO,0.2852
CCN=C1COC(=O)N1,0.2538
OC1C2C3CC3(C#N)C12,0.2941
CC1=CCN(C1)CC=O,0.1911
CC(=O)C1C2C3NC3C12,0.2275
CCCCC(C)(O)C#N,0.316
CC1=CC2OC3CC1C23,0.2353
CCC(=O)NCCOC,0.2784
CC1C2C3(C)CN1C23C,0.3039
CC1N=CN2CC12C=O,0.2176
Cn1c(ncn1)C=O,0.1938
CC(=NC)N1CCC1=O,0.2229
CC1COC2(CC12)C#C,0.2623
CC1CCC=C(C1)C=O,0.1981
O=C1CC2CC1C1NC21,0.221
CCC1(C)CC11CCC1,0.3288
OC1C=CC2CN3C2C13,0.2287
Cc1[nH]cc(n1)N(C)C,0.2111
CC1(COC1)C#N,0.2909
CC(CC#N)C(C)C#C,0.3068
CC(O)C(O)C#CC#N,0.2254
Cc1cnc(c(n1)F)F,0.2041
CC12CN3C(CC13C)C2,0.3028
CC(=O)C#CC=O,0.1958
CNC(=O)C#CC#N,0.1988
C#CC#CCOCCO,0.2212
CC1C=C(C)C(=O)C1C,0.1959
O=C(C#N)C12CC(C1)O2,0.1676
CC12CN3C4C3C1C4O2,0.2898
CC(CC=O)C(C)C#C,0.2285
C1CCOC(=NC1)C#N,0.2197
CC(C)C12CCCC1O2,0.3341
CC(CO)NC(=O)CO,0.2769
OC1CN=C2NC=NC12,0.225
CC(C)OC1CC1CO,0.3177
N#CC1C2OC1C21NC1,0.2851
C1NC23COC12CC=C3,0.2274
C1OC2C3CC12COC3,0.289
CNc1cc(=O)[nH]nc1,0.1724
O=C1CN2CC11NCC21,0.1941
O=C1CNCC1CC#N,0.2014
NC(CC#C)(C#C)C#N,0.2656
O=C(C#N)C1(CN1)C#N,0.1881
CCC12CC1(C)OC2,0.3029
c1c[nH]c2c1C(=O)CC2,0.2109
C1C=CNC(=O)N1,0.2248
CC(=O)COCCC=O,0.2111
CC(C#C)C#CC1CC1,0.2706
CC1C2C1C1OCC2O1,0.3385
OCCCC1OC1C#C,0.2807
CN=C1COC(=O)CN1,0.237
OC12CC3C1C2(O)C3=O,0.2414
CC1(CC1CC=O)C#C,0.217
CC(CO)C1NC1C=O,0.2211
CC(C)(C)CCC1CO1,0.337
CCC12CCC(O1)C2C,0.3244
COC1(C)C2CC1C=C2,0.2328
NC1=NCCOC1C#N,0.2454
CC12CN=COC1CN2,0.2459
CC1CCCC1=O,0.2218
CC1=NC(C)=NC(=N)N1,0.182
CCC(=O)CC1(C)CN1,0.2247
CCC12CC3C1C2C3=O,0.2444
C1CC12CC3(O2)COC3,0.298
c1cn2ccoc2n1,0.2228
O=CC1OCCNC1=O,0.2201
CN(C)C(=O)C(N)C#C,0.2576
CC12C=CCCC1C2O,0.2359
OCC(C=O)C(=O)C#C,0.1895
CC1CCC2CN2C1=O,0.2461
CN1C2C3CC2(C#C)C13,0.2419
Cn1cc(cn1)OC,0.2288
c1(=O)c(n[nH]nc1N)N,0.1479
COC12CC1COCC2,0.3272
CC12C3OC3C3C1CN23,0.2918
CC(=O)C1COC(=O)O1,0.2264
CCC1(CCC1)C#CC,0.2942
CC(C)C(C#C)C#N,0.2982
c1c(con1)OC=O,0.241
CCC#CC1OC1C#N,0.2534
CC1OC23CC(O)(C2)C13,0.2964
CC12CC3(CO)OC1C23,0.2941
[O-]C1=C(F)C=CNC1=[NH2+],0.1474
C#CC1CCCCCO1,0.2903
C1C2C3C=CC1C=CC23,0.2438
CC1(CCC(CC1)O)C,0.3315
CC(CCO)C1CC1O,0.3246
[NH3+]C1CC=C(C1)C([O-])=O,0.208
CC1=NC(CO)C(=O)N1,0.2318
NC1=NC(CO1)C1CC1,0.279
COCC(CO)C=O,0.2184
CN(C)c1cc([nH]c1)N,0.221
Cc1cc(=O)nc([nH]1)O,0.2109
COC1(C)C2CC1(O)C2,0.3319
CC1C2CN2C(=O)C1C,0.239
O=C1CC=CCN2CC12,0.2031
OC(C#N)C(=N)N1CC1,0.2541
C#CC1N=COC1C#N,0.2661
OC12CC1C1(O)CC21,0.2892
CC#CCCC(O)CO,0.2999
N=C1OC=C2C=CCN12,0.1555
Cn1cc(cc1C=O)O,0.1647
CCc1cc([nH]c1)NC,0.2355
CC(O)C(C)(C#N)C#N,0.2912
c1c(c(=O)nco1)F,0.2089
CCC(=O)c1conn1,0.2019
CC(C)C1(O)CCC=C1,0.2622
CC1C2COC(C#N)C12,0.2906
CC12OC3CC1OCC23,0.3208
N=C1OC2=C(COC2)O1,0.2436
OCC1NC(=O)C1CO,0.2807
CC1OC2(C)C3CC2C13,0.3322
OCC1OC(=N)C=C1,0.2128
NC1=C(F)C=NC(=N)O1,0.1573
CCC(C)NC=O,0.2828
C1C2COC3CC3CC12,0.3144
CC1=C(CC(=O)N1)CO,0.2087
c1c([nH]c(=O)[nH]1)OC=O,0.1903
C1CC2OCOC2C1,0.3254
Cc1ncnn1C(C)C,0.2638
CC1=CC(=O)C2(C)NC12,0.179
CC1COC(=O)CC1O,0.271
CC(C#N)C(O)C#C,0.2951
Cc1cc(=O)onc1F,0.1821
CC1OC2OC3CC2C13,0.3274
CCC(=O)C#CC1CN1,0.2021
CC(=NO)C1CC1(C)C,0.2395
CC1C2CN3C4C3C2C14,0.309
CC1(C)C2C3C1C(=O)N23,0.25
CCCOCCC1CC1,0.3399
COC1C2COCC1O2,0.3037
CC1(C)NC11CCC1O,0.2983
CCNC1CNC1C#N,0.2461
O=CC1OC1(C#C)C#N,0.208
N1C2C=CC3C4OC23C14,0.1725
c1cn[nH]c1CN2CC2,0.2582
C(CO)C(=O)NC(=N)N,0.2199
CC#CCOC(=O)CO,0.2722
C1OC2COC=NC12,0.2697
C1C2CC=CC3CC3C12,0.2348
COc1[nH]c(c(n1)O)N,0.2375
C#CC12OC3=NCC1C23,0.1614
COC(C)CC1OC1C,0.3352
CN1CC(=N)NC(=O)C1,0.2193
OC1CCN(C=O)C1=N,0.228
CCC(=N)NC=O,0.2322
O=CC#CC12CCC1N2,0.1985
CCC(O)C1=CCCC1,0.259
c1c2c(on1)NCC=C2,0.1799
O=CC12CNC1=NCC2,0.2048
O=C1OC2C3CC2C13,0.2666
CC1=NNC=NC1=N,0.19
OC(C#C)C1(CC1)C#N,0.2881
C1C(=O)CNCC1=O,0.1898
c1c(nco1)CO,0.2461
CCC(C)(C)C(C)O,0.3275
N=C1NC2=C(ON=N2)O1,0.1304
c1coc(=O)n1C(=N)N,0.2307
c1c(cnc(c1N)O)N,0.1798
COC1C2C3OC3C12C,0.2745
C1C2COC3(CCC3)C12,0.3258
CC1CC2C3CC3C=C12,0.2374
CC12CC=CC1N2,0.2339
CC(O)(C#C)C(O)CO,0.2934
CC12CC1C1CC1(C)C2,0.3377
COC(C(C)C)C(C)=O,0.2164
OC1CC(C2CC2)C1O,0.3029
CC(=O)C(CC#C)C=O,0.2026
CC(C)(C(=O)N)OC,0.2779
C#CC1CCCC1C#C,0.2972
CCOC1C2CN2C1=N,0.236
CC1(O)CC1(O)C1CC1,0.3115
CN(C)C12CC1CC2=O,0.1972
N=C1OC2C3NC2C3O1,0.2913
CCCC(=N)OCC=O,0.2299
CC12CC(=O)C=CC1O2,0.1819
C1CC12CC(=O)NC2,0.2743
CC1C2NC(C#N)C12N,0.2366
OC1=CNC=C1C1CO1,0.2306
N#CC12CNC3C1NC23,0.2598
CN1CC(=O)C1CC#C,0.203
OCCC12NC1CC2O,0.3041
CCOCC1NC1CO,0.323
C1CC1(CCCO)C=O,0.2332
CC12CC3(C)OC1C23C,0.3026
CCCCC1CN=CO1,0.2714
CC1(C)C2OC(=O)C12O,0.248
C#CC(=O)C1OCCO1,0.1781
COCC1CC(=O)C1C,0.2215
CC1CCN2CC12CO,0.3137
OC12CC(C1)C=CC2=O,0.1961
C(C(=O)C=O)NC(=O)N,0.1499
CN(C)c1cncnc1,0.1805
O=C1C=CC2OC3C2C13,0.1719
OC1C=C(C#N)C2NC12,0.2029
CC1C2C3CC4C3C1N24,0.3017
CC12CC3OC3C1C2O,0.2996
CC1C2C3CN3C12C#C,0.2386
CC1CC1C1(CO)CO1,0.3293
CCN=C(C=O)NC=O,0.1492
CC1CC2CCC2(O)C1,0.3193
O=CC12C3CC1N=CN23,0.2125
N=C1OC2C1NCC2=O,0.1961
OC1=CNN=C1OC=N,0.2183
CC1OCC2(C)CC12O,0.3184
CC1OC2CC1CO2,0.3318
c1ccnc(c1)N(=O)=O,0.1919
C1C(=O)CNC(=O)CN1,0.1921
CC1NC(=O)CC=C1C,0.2518
O=CC1C2CC2NC1=O,0.2192
O=CC12OCC3CC1C23,0.2135
N=C1CC=CC(O1)C#C,0.246
CC1C(C)N1C(C)=O,0.2559
CC1=C(F)C(=N)NC=N1,0.1824
CN1CC2OCC12C#N,0.2334
CCC(O)C1(CO1)C#C,0.278
CN1CC1C([NH3+])C([O-])=O,0.2549
CC#CC1(C)C(O)C1O,0.2658
CCC12NC1C(O)C=C2,0.2367
CC1CCNC(=O)C=C1,0.2117
CC(O)C1C(C)C1C#N,0.2969
CC(C)(C)C(C#C)C#N,0.2967
CC(C)C(CO)C#C,0.3139
O=C1CC2CC2C11CO1,0.2055
CC1CC1C1=CNC=N1,0.2465
O=CN1C2C3CCC2C13,0.2495
C1OC1C1C2C3CC3C12,0.2793
CC1(C#C)C2NC2C1=O,0.2085
Cc1cnc(cc1F)O,0.2167
CCOC(=N)C(=O)OC,0.2188
CC12C3C1C1(O)CC2C31,0.3022
CC1=CCN2CC(=O)C12,0.2017
CC12CCN1C=CC2=O,0.1828
CC(=O)C#CCC#C,0.2077
CCC1=CC2OC2CC1,0.2355
C#CC1CCC2CC1C2,0.3087
CCC1N=C(C)OC1=O,0.2469
COC(CO)C(F)(F)F,0.3367
CCC1(C)CC1CC#N,0.3181
C#CC12CN=C3CC1N23,0.1927
CC1=CCN(C1=O)C=O,0.1992
CC(O)C1=CC2CC2C1,0.242
O=CC12CC1N=CO2,0.2217
O=C1OCC2CNC1C2,0.2374
CC1CN(C(C)=O)C1=N,0.2347
OC1CC2CCOC2C1,0.3088
CC1=C(C)C2CC3C1N23,0.2188
CC1=CCN(C1)C(=O)N,0.2432
CC12CN1CC1NC21C,0.2889
CC(CO)C1CC=CC1,0.265
C1CC23CN4CC(C24)N13,0.2789
CC1(CC1)c2c[nH]nc2,0.2566
CC1(CC=O)OC2CC12,0.2191
O=CC1CC=CC2CN12,0.2058
COC(C)C(=O)CC#N,0.2304
CC#CCCC(=NO)C,0.2495
CCCCOC(C)CC,0.3334
CC12N=C(N)C3OC1C23,0.2252
CC1(CCO1)C1(O)CC1,0.309
CC1(C#N)C2C3NC3C12,0.2495
CCOCCOC(C)C,0.331
CC1OCC1OCC=O,0.2204
CC1CCC=CC1=O,0.1859
ON=C1CC2OC2C1O,0.2483
c1c[nH]c2c1oc(=O)o2,0.2286
C1OC1C1C2C3OC3C12,0.2835
N=COCC1=NC=NO1,0.2327
CC12CN3C(CC1=O)C23,0.2168
CC1C=CC(=O)C1O,0.1935
OC1CC(OC1=O)C#C,0.2719
CN=COC1COC1,0.274
CC1N2C3C(C2=O)C13O,0.2394
CC1C[NH2+]C1C([O-])=O,0.2621
O=C1NCC23CC(C2)C13,0.2609
O=C1NCC=CC2NC12,0.2264
CCC(=O)CC,0.2356
C1C23CCCC12C=CC3,0.2455
CCC1NCC1(O)C#N,0.2551
O=C1C=CC23CC12OC3,0.1803
O=CC1=CCCC2NC12,0.1888
CC12NCC1=CCC2=O,0.2099
CC1=CC2(CN2)CC1,0.2359
CC(O)C(C)C1CCO1,0.3132
NC1=COC(=O)NC1=N,0.184
COCC(OC)C1CN1,0.3222
CCC12C(C)C1OC2=N,0.277
CC(C1CO1)C1OC1C,0.3418
CC1OCC(NC=O)=C1,0.2118
O=CCOC12CC(C1)C2,0.2292
CC1N2CC(O)C12C,0.2859
ON=C1C2C3CC1C23O,0.2481
OC12C3OC1C1(CC1)C23,0.2946
c1cncc(=O)nc1N,0.1627
CC1(C(=O)OCCO1)C,0.2605
OC1CC1(O)CC1CN1,0.2904
c1coc(=O)o1,0.2556
OC12COCC1OC2=O,0.2581
C1CC1(C#N)C(=O)C=O,0.1554
O=C1C=C2NCC3C1C23,0.1775
CCn1ncc(n1)OC,0.2285
O=C1CCC11OCC=C1,0.1918
COC1CC11C2CC1C2,0.3301
FC1=CNC=CC1=N,0.1882
OC1CCC23CC12OC3,0.2803
O=C1C2CC2C2OCC12,0.2157
CN1C=CC(=O)[CH-]C1=[NH2+],0.2016
Cn1c2c(cn1)nn[nH]2,0.2245
c1c(nn[nH]1)CC2CC2,0.2507
CCNC(=N)C(=O)OC,0.1891
COC12CC1C(C)=CC2,0.2475
CCC(C#C)C1CCC1,0.3112
O=CC(CC#N)C1CN1,0.2132
CC1C2OCC2C1C#N,0.2791
CC1(CN=CN1C=O)C,0.223
N=COCC12CC1OC2,0.2637
Cc1c[nH]nc1C,0.2603
O=CC1COC2(CC2)C1,0.221
CCC1(CO)OC1C#N,0.2751
CC12CCC1C(C2)=NO,0.2452
CC1=CC2CN2CC1O,0.2284
c1cnc(cc1N)F,0.225
CC1(CO)NCC1C#N,0.2633
C1NC1C1OC11COC1,0.316
C#CCC1C2CCC1O2,0.297
[NH3+]C(CC1CC1)C([O-])=O,0.2674
O=CNC1CC=CC1,0.2634
CN1C2(C)CCC12C#C,0.2679
c1c[nH]c2c1CCC2=O,0.1963
c1nc(c(o1)N)CCO,0.2189
CC1C2C(CC1=O)N2C,0.2104
OCC1OCCC1C=O,0.2226
[NH3+]C(C1CCO1)C([O-])=O,0.2665
CC(C)C(=O)C(=O)C=O,0.1339
CCc1coc(n1)C#N,0.2016
O=C1CC2C1C21CCC1,0.2291
C1CNc2c1nn[nH]2,0.2176
C1=CNC(=O)C(=O)C1=O,0.1234
NC1=NC2C(O)C2OC1,0.2297
CC(=O)CC(C)(C)C#C,0.2286
CC1C2(C)CC1(O)C2=O,0.2424
CC1C2COCC12C#C,0.285
CCOc1cnccn1,0.1989
OC1=NON=C1OC=N,0.2204
CC1COC(OC1)C#C,0.2985
[O-]C(=O)C1CC=CC[NH2+]1,0.2596
CC1(C)OC1(C)C#C,0.2845
CC1(O)CC1(C=O)C#C,0.2099
CCC(O)(CO)COC,0.3231
CCC12COC1CC2O,0.3099
CC1=C(F)C(=N)N=NN1,0.1695
C(C=O)NC(=O)CO,0.2194
CC1=NCC(CC=O)O1,0.2202
COC1(CCC1)CCO,0.3243
CC(=O)CNC(=O)C#C,0.2256
CC1C=CC2(CC12)C#C,0.2366
C(c1c(nc([nH]1)N)O)O,0.2181
NC1=CC(=O)N2CC12,0.2055
CC(C)(O)C(CO)C#N,0.2944
CCC(C)(C)CCC#C,0.3156
CCN=c1[nH]c(no1)O,0.246
CCC(=O)OC1COC1,0.2623
CC1COC2=C1NN=N2,0.2102
O=C1NCC2OCC2=C1,0.2062
C1CC12C=CCO2,0.2267
C#CC1OCC=CCO1,0.2629
CC1CC1C1(C)CO1,0.3333
CC(=O)C(O)CC=O,0.211
O=CC1C2CC1CCC2,0.2233
CC1(C#N)C(N)C1CO,0.2755
C1CC2(C1)CC(=O)C2,0.2207
CC12OCC1OCC2O,0.294
C1CC(O1)C1=CC=NO1,0.2313
CCC1(N)CC1(N)C#N,0.2646
OCC1C=CC(O)C1O,0.2545
Cc1c(ncnc1O)O,0.2298
CC1C2(C)CC1(C)OC2,0.309
CC1COC2C3OC2C13,0.3017
Cn1nc2c(n1)NCC2,0.2035
C1C2OCC3(CCO3)C12,0.2981
CC1CC=CCOC=N1,0.2519
CC1CC2(O)CC2C=C1,0.2505
c1nc(c(o1)NC=N)N,0.2033
CN=C1OC=CC(O)=C1,0.1653
OC1CC(=O)C2CC12O,0.2264
Cc1cc(c(nc1)C)C,0.2223
Cc1c2c(no1)COC2,0.2331
CCc1ccc(nc1)O,0.2065
CC1CC2C1NC2=O,0.2729
CC1OCCC=CC1=O,0.1817
CC(=O)C1OC2CCC12,0.2188
CC1CC(CO)OCO1,0.3481
C1OC2OC3C1C3C=C2,0.2372
CC1NC2=CC(=O)CC12,0.2064
CC(CCC#C)C(N)=O,0.2731
C#CCOC=NCC#N,0.2723
O=C1NC2CC1C=C2,0.2161
CCC1(O)C(N)C1C#N,0.2682
CC(C)C1OCOC1=N,0.2859
ON=C1COC(C1)C=O,0.2159
COC1C2OC2(C)C1O,0.3115
CC1=CCc2c1n[nH]c2,0.2101
CC1(C)C2C3C2C(=O)C13,0.2439
CCn1nccn1,0.2576
COCCCO,0.3295
c1cc(c(c(c1)F)N)F,0.2161
CC(C=O)C1OCC1O,0.2225
Cc1c(c(co1)OC)O,0.2282
CC1CC2OC1CC2C,0.3277
C1OC(=O)C(C(=O)O1)N,0.2451
Cn1c(cc(n1)O)C#C,0.1991
O=CC12CC3CC1CN23,0.2018
C1OC23CC=CC2OC13,0.2407
NC12C3OC1CC23C#N,0.2525
c1c(onc1O)CC=O,0.2117
C#CCCCC=O,0.2274
c1nc(n(n1)C(=O)N)N,0.2156
OC1CC23CCC2(C1)N3,0.2787
N=C1CC(C=O)N1C=O,0.2077
CCC1OC(=N)C11CN1,0.2708
CNC(C#N)C1CC1,0.2779
OCC12CC1(CC2)C#N,0.2782
CCc1c(nn[nH]1)C,0.2434
c1nc(c(o1)N)N(=O)=O,0.1711
NC1=C(C[NH3+])C([O-])=CO1,0.2171
O=CC1(OCC=C1)C#N,0.207
COCC(O)C#CCO,0.2844
c1(nc(no1)O)C(=O)N,0.2104
CC1NC(=O)NC1=N,0.2573
CC12OCOC1CC=C2,0.2607
CCC1C(OC)C1C#N,0.288
C1CC1OC(CO)CO,0.318
CC1CC1(NC=O)C=O,0.2205
CC1C2CC(CC12)C#C,0.31
CC1(C)C2CCCC12C,0.3249
CC12C3C4C3C1C4C2O,0.314
N=C1ON=C(O1)N(=O)=O,0.1626
C1C2CCC3=CCOC123,0.2253
CC1NC1C1(CO)CO1,0.3181
OC1C(O)C1OC=O,0.2596
OC1CC2OC12CC#N,0.2885
CC1C2CC11CN(C)C21,0.2812
CCNC(C)(CC)C#N,0.2728
CC12CCC1(O2)C1CO1,0.3048
C1C23CCC12OCC3,0.2937
CC1CC2(COC2)C1O,0.2957
N#CC1CCCN1,0.2769
CC#CC1OC=NC1C,0.2665
CCC1C2OCOC1C2,0.3235
CC1CC2(O)CC12CO,0.3168
CC1C=CCOCC=C1,0.2464
CCC(O)C1CC1(C)C,0.3273
OC12CC(C1)OCC=C2,0.246
CNC1=C(C)OC(=N)O1,0.2345
CC12CCC1(CO)OC2,0.3005
Cc1c(nn[nH]1)C(=O)C,0.2087
OC1CC2CC(=O)OC12,0.2807
N=C1N=CNN=C1C#C,0.1646
CN(C)C1C2OC=NC12,0.2374
CCC(C)(NC=O)C#C,0.2741
COC1OC2CC2C1C,0.3224
CC1OCC11OC1C#C,0.2642
CC1OCC2OC2C=C1,0.2383
OC1CC2=CCCC12O,0.242
CC12CC(O)C1C(O)C2,0.2964
CC1CC11COC1=N,0.2809
O=CC1C2OC3CC3C12,0.2107
CC12CC(=O)NC1C2O,0.2661
CNC1=CC(=O)CC1O,0.2031
CC1CN1C1=NNN=C1,0.2173
Cn1cnc(n1)N(C)C,0.2133
CCOC1(CC1)C#CC,0.2744
CC1CC(C=O)C(C)=C1,0.2128
CC1N=COC1=O,0.2455
NC(CCOC=N)C#N,0.2834
OCC1NC(=N)NC1=O,0.2304
OC1=C(F)C=CC(=N)O1,0.1567
c1c[nH]c2c1nc([nH]2)O,0.2262
CCC12CC1(N)C(=N)O2,0.2601
N=C1OCC2=CN=NN12,0.2326
Cc1ccnc(n1)C=O,0.1786
OCC1CC2NC12,0.3082
CC12CCC(C)(CC1)O2,0.3224
CCC1CC(=O)C1C#N,0.2222
CC1C2OC11CN(C)C21,0.2646
COc1c[nH]c(n1)CO,0.2211
CC1(O)C2CN2C1C#C,0.256
CC1CCCC1CCO,0.3355
CN=CN(C)C(=O)C=O,0.1642
CN1C2CC1(CO)C2O,0.2766
CN(C)C(=O)CC1CO1,0.2694
CN1C(C#C)C11CCC1,0.2552
CCC1(O)CC1(O)CC,0.3135
COC(=O)C(C)C1CC1,0.2784
C(c1[nH]c(c(n1)O)N)O,0.2214
CN1CCc2c1cn[nH]2,0.2068
OCC1C2CCC2C1=O,0.2138
C1CN1C1CC2(CO2)C1,0.3021
CC1(CC1C#N)OC=N,0.2783
CC12CC1C1CC2(O)C1,0.3132
O=C1CC2OCCC2N1,0.2717
ON=C1C2NC2CC1=O,0.1705
CCN=CNC(=N)C=O,0.1559
Cc1ncc(o1)N,0.2217
C1C=CC2(O1)CC(=O)C2,0.2089
Cc1c[nH]c(c1C)C,0.241
CC1=COC(=C1)C1CO1,0.2225
CCn1cnc(c1C)N,0.2181
C1OC2=NCCCOC12,0.2648
C1OC1C1OCC11CO1,0.3115
COC1C=CCOC1=N,0.2467
N#CC1(C#N)C2CCN12,0.25
CC1OC2C(O)C12CO,0.2962
OCC(C=O)C(=O)CO,0.2098
CC12C3CC1C3CC2=O,0.2219
CCCC(OC)C1CC1,0.3373
CC1(CC1)c2[nH]ncn2,0.2573
C[NH2+]CC1=CC([O-])=CO1,0.0805
NC(=N)N1CC(O)C1=O,0.2172
OCC12CCC1C(O)C2,0.3157
CC1=CCC(=O)C2OC12,0.2071
CC(C1CO1)C1CC1C,0.3422
C1OC1C1CC11COC1,0.3103
CC1NC(C)C(=O)C1=O,0.1404
CC(=O)OCC1CCC1,0.2844
CNC(=O)NC(=O)OC,0.2731
c1cnc(cn1)CO,0.1971
CC1(C)C2OC2C1(C)O,0.3121
CC1OC2C3OC1C23C,0.2843
CC1CC([NH2+]1)C([O-])=O,0.2641
CCC1(CC1)C(=O)CO,0.2396
CC1=CCCCOC1,0.2501
OCC1(O)C=CC2OC12,0.2417
C1CC1(C#N)C(=O)CO,0.2322
CC12CC3C1C2C3C=O,0.2207
OC12CC3C(CC13)OC2,0.3051
CC#CC(=O)C#CC,0.1869
CCCNC(=O)CC=O,0.2212
CCc1cnncn1,0.1659
CC1C2C3N2C1C3=O,0.2328
C(#CC#N)C#CC(=O)N,0.173
c1nnn(n1)C2CCC2,0.2609
C1C2OC3C=CC1C23,0.2338
CC1(O)CC2OC2C1O,0.3181
CC12CC(C1)C2(C)C#N,0.3235
OC1CC11C2NC1C2O,0.3138
NC(=O)C12COCC1N2,0.2607
CC(C)OCC1COC1,0.3235
CC#Cc1c[nH]cc1O,0.2122
N=C1CC(O1)C1CCO1,0.2847
CC1=CCC2(C)CC12,0.2468
CC(O)(C=O)C(O)CO,0.2185
OC1CC11COCC1=O,0.2166
OC1CCC11CN1C=O,0.2503
CC1(CN1C1CC1)C=O,0.2181
C1CC(=O)CN=COC1,0.2146
CC12CN3C4C(OC14)C23,0.2864
OC1CCC1(O)CC#C,0.2861
C1OC=NC2C3OC3C12,0.2686
COC1C=CC2CC1C2,0.2492
NC1=CC=C(N1)C1CO1,0.2191
COCC(=NCC#N)N,0.2592
CNC(=O)c1c[nH]cn1,0.2351
CC1N2CC2CC11CC1,0.3134
C1C=CN2C1=CCC2=O,0.1907
c1ccc(cc1)CC#N,0.2416
CC(O)C1(CCC1)C=O,0.218
OC1CN2N=CC=C12,0.2616
COC1CC(C)=CC1O,0.2594
C1CC2CCOC2C1,0.3179
CC1(CC(C1O)(C)C)C,0.3079
CC#Cc1c(nco1)C,0.1974
N#CC1C2OC1C21CC1,0.2783
CC12CC1(CC2)C1CO1,0.3223
COC(=O)C(C)OC=O,0.2646
CC(C)CC(C)OC=O,0.2837
CC1CCC2(CO2)CO1,0.3213
CC(O)CCCC#N,0.3147
C1CC(=O)CNCC=C1,0.1955
CC1C2CCC1O2,0.3301
C1CC1N=COCC#N,0.2438
COC(C=O)(C#C)C#C,0.2169
CC1(O)CC(=O)C11CC1,0.2169
CC1OC1C1(CN1)C#N,0.2871
OC1C2C3NC3C2C1=O,0.195
CCN1CC1CC(C)=O,0.2082
CC(NC=O)C(O)C#C,0.2649
COC1C2C3CC2(O)C13,0.3177
CC1N(C)CC1(O)C=O,0.194
CC#CC(O)C(F)(F)F,0.292
CNc1c([nH]cn1)O,0.2386
OC1CC2C3CC=C1C23,0.2191
CN1N=COC(=O)C1=N,0.1744
CCC1(CN2CC12)C=O,0.2124
CC12OC(=N)C1C2O,0.2658
CC(CO)C=O,0.2304
CN1C=NC2=C1ON=N2,0.1414
CC1CC=CC1C,0.2637
C(CO)C(=O)C(=O)C#N,0.1501
OCC1CN=C(N1)C#N,0.1986
C1CC23CC(C=C2)N13,0.2177
O=C1C2CN2CC2NC12,0.2075
C#CCCC(=O)CC=O,0.2094
OC(C#C)C1CC1C#N,0.2927
OC1CC1CCNC=O,0.2835
NC(=O)C1CC(O1)C#C,0.2484
CC1COCCCOC1,0.3143
CC(C=O)C1=CN=NO1,0.2063
CC(C)C1(C)OC1C=O,0.2151
CCOCCC(N)C#N,0.283
c1c(c(=O)nn[nH]1)N,0.1696
CCC1(CC1C)C(N)=O,0.2742
CC(C)COCC#N,0.2926
CC1CC1(C)CC=O,0.2227
OC1C(CC11CN1)C#N,0.2832
OC1C2C3CC3C(O)C12,0.2816
CN=C1OC=CC=N1,0.1628
O=C1CC2(C1)C1CC2C1,0.219
CN=C1OC(C)C1N,0.265
CCC1(C)OC1C#N,0.2918
C#CC1C2C3CN1C23,0.2569
OC12CC=CC3CC1C23,0.2554
CCC(C)C1COCO1,0.3284
Cn1nc(nn1)NC=O,0.2246
O=C1NC2CCC(C2)N1,0.2936
CC1C2C3CC=C1C23O,0.1768
C1CC11CC2C=CCC12,0.2607
COC(=O)COC(=O)N,0.2829
CC1CC23COC2CN13,0.2787
CN(C)C1C2OC1C2=O,0.2157
CCC1(CO1)CC,0.3484
CCc1c(cco1)C#N,0.2172
OC1C=CC2N=COC12,0.2546
c1nc(nc(n1)F)CO,0.2082
OCC12COC1C(=O)O2,0.2457
C1C2CC3C1C=CC3O2,0.2393
N#CC1CC2NC12C#N,0.26
N#CC1CC2OC2CO1,0.2922
c1cc(=O)cc(nc1)O,0.1403
OCC1=CC2CN2CC1,0.2333
COC1C2C(C)C1C2=O,0.2415
C1CN1C1C2COC12,0.284
CC12C3CC(C)(C1O)N23,0.3056
CC1(O)C2CC3CC1C23,0.3258
CC(C)(CCCOC)O,0.3133
OC1CC(O)C(C=O)=C1,0.1855
OC12CN3CC1CC23,0.2933
C1COC(=O)OCC1=O,0.2235
CN=C1OCC1CC=O,0.2237
CC1CC2(C)C(O)C2O1,0.3091
CNc1ncc(o1)C#N,0.1902
COC1C=CCC1(C)C,0.2621
c1c[nH]cc1CCC=O,0.1937
O=C1CCC2(NC12)C#C,0.206
C1CC1C(=O)C#CCO,0.2075
C1CC1C1OCCC=C1,0.266
OCC1=CC2C3OC2C13,0.2241
CC(=O)C(=O)C(O)CO,0.159
CCc1cc(on1)OC,0.2391
COC1C(=O)CC1(C)C,0.2027
C1CC2OC=NCC2O1,0.2702
CC1=CC(=O)C2CN2C1,0.1834
COC1CCC2NC12,0.3074
CC(C)OC(CO)CO,0.3184
C1NC1C1OCCO1,0.3291
C#CC1C2CC3CC3C12,0.2788
CCC(C)C(C)(O)CC,0.3255
CCC(NC)(C=O)C#N,0.2159
CC1C2C3N1C2C31CO1,0.3065
CC(C)OC1CN2CC12,0.3037
COC1C2CC1C2CO,0.3194
O=CC(=O)C1CN2CC12,0.14
CC#CC1(CC(=O)C1)O,0.2172
CCC(=O)C1CC1(C)O,0.2298
COC1CC=CC11CN1,0.2434
OCC1=CC2(O)CC2C1,0.2438
CCNC(=O)CC(=O)C,0.2118
CCC1=CC(CC1)OC,0.2576
OC1C2CC2(C=O)C1=O,0.1949
C[NH+]=CN(C)CC([O-])=O,0.2466
CC1(CC(C1)(C)OC)C,0.3187
CC1(CCN=CO1)C#C,0.2694
OC12C=CC3C4C1C2N34,0.2329
CC12CC1(O)COC2=O,0.2702
CN(CCC=O)C=O,0.212
CC1(C)C2C3C=CC1C23,0.2323
COc1cc[nH]c(=O)n1,0.1982
OCC1CC=CC1O,0.262
CN(C)CC(=O)CC=O,0.2023
CC(=O)Cc1ccoc1,0.2127
CC(O)C1CC1N1CC1,0.307
C1CC1N(C=N)C(=O)N,0.2403
CCC1(CC1)COC,0.3309
CC(C)N=CNC(=O)C,0.2286
NCC1(CC(=N)O1)C#N,0.2596
CC(=N)OC(=O)C1CC1,0.2414
NC1=NC2CC1(O)C=C2,0.2123
Cn1cnc2c1c[nH]n2,0.21
CNC(C#N)C(O)CO,0.2809
CC1CC(C)C=CC=C1,0.1884
CC12OC3CCC1C23,0.309
CC1CCC2C1C2(C)C,0.331
CC(O)C(O)C(O)C#C,0.2761
OCC12CC(C1)C2O,0.3125
CCC#CC(C)(O)C#N,0.2743
COC(=O)NC(C)CO,0.3062
O=CC1OCC(O1)C#N,0.211
Cc1c(con1)CC#C,0.2505
CC1C=CC2C1C2(C)O,0.2362
CCC1(O)CC2OC12,0.3144
CC(=O)C1C2NC2C1O,0.2256
CC(CO)C(=O)OC=N,0.2498
C1CNc2c1c(no2)O,0.2276
CN1CC(N=C1N)C#N,0.2547
C#CCCc1[nH]ccn1,0.2493
OC1CCCC11COC1,0.2961
CC(C)C1OC1(C)C#N,0.2988
OC1C=CC(C=O)C1O,0.21
O=CNCC1C2CCN12,0.2559
CC1(C#N)C2NC2C1=O,0.2129
CN=COC(C)C1CC1,0.2737
CC1CC2(O)C(C=O)C12,0.2158
CCCC1=CCOCC1,0.2591
CC(=N)OC1=NNN=N1,0.2546
COC(CN)(C#C)C#N,0.2384
OCC1(CO1)C(=O)C#N,0.1903
Cc1cccn1CC#N,0.2191
CCC(C)C1(CO1)C=O,0.2202
N#CC1C2C3CC2N13,0.2645
CC12NC(C=C1)C2=O,0.246
CC12NC(C1C#N)C2=O,0.2471
CNC(=O)C1OCC1C,0.2643
CC12CC1(O)C1OC21,0.3099
C1CC2=CCC3OC23C1,0.24
CN1CCN=C1C#N,0.1873
O=C(CC1CO1)C#N,0.1954
OC1CC2OC2C2NC12,0.3071
C1OCC23NC12C1OC31,0.3079
C1CC(=CC(=O)OC1)N,0.2033
CC12C3C=CC1C=CC23,0.2342
C1CC23CC1CCC2O3,0.3293
CC1CN2CC2CC1O,0.2723
CCc1c(n[nH]n1)OC,0.2313
C1C2CCC11C=CCC21,0.2493
CC(=O)CC#C,0.2275
OC1CC11COCCO1,0.3068
CCC1(C=CCO1)CC,0.2481
CCN1CC(C)OC1=O,0.301
COC(=O)n1cccn1,0.2301
Cc1c(cccn1)N,0.1998
OC1C2CC3CCC2C13,0.3325
OCCC1C2C3CC2N13,0.308
C(CNC(=N)C=O)C=O,0.1735
Cc1cnn2c1NCC2,0.2337
N#CC1C2OC2C2CN12,0.2701
CCOCC(=O)N,0.2737
C(=O)C(=O)N(C=N)C=N,0.159
[NH3+]C(CO)CCC([O-])=O,0.2722
CC1=CC(=O)CC2OC12,0.1837
OCC1CC(=O)CCO1,0.2239
CC12COC(C1)C(=O)C2,0.2091
OCC12CC(C1)C21CN1,0.3033
C1OC1C12OC1CC=C2,0.247
Cc1c[nH]nn1,0.2526
C1CN1C12CC1OCC2,0.2966
NC(C#N)C(CO)C#N,0.2889
CC1(OCCC1O)C#N,0.297
CC12COC1C(O)C2O,0.2844
CC1CC11OCC1=NO,0.2242
COC1C2C3OC3C12,0.2738
CC1=C2CCC2OC1,0.2342
O=CC1C2C3C4C2C1N34,0.2058
N=C1CNCCOCO1,0.245
OCC1C=CCOC1=N,0.2468
CC12C3N4C1C2(C)C34C,0.2754
CC(C)(O)C1CCO1,0.3246
O=C1C2C3CC1CN23,0.2187
N#CC1CN2C=CC=C12,0.2342
CC1COCC=C1C#N,0.2221
Cn1ccnc1C#C,0.2029
Cc1cnn(c1)CCO,0.2519
Cc1cnc(o1)CC#N,0.2334
CCN1C2CC1C2=NO,0.2518
COC1CCOCC1=O,0.2024
CC(C)C(C)(C)C1CO1,0.3399
COC1(C)CCC1C#C,0.2948
OC1CCC2(CO2)C1=O,0.206
CC1CC2(C)OCCC12,0.3139
CC1(CO1)C1CC2OC12,0.3269
CC1C2OCC(=O)C12C,0.2187
CC1CC2C3CC1C23C,0.3241
CC(C)(O)C(C)(O)CO,0.3102
CNC(=O)N1CC=CC1,0.2373
CC1C2CC1CC=CC2,0.2709
CC1C2C3CC2C13,0.3808
CC1CC2=C(C)COC12,0.2335
c1c[nH]c(c1C(=O)N)N,0.1975
OC12CC1(C=O)C=CC2,0.2044
CN=C1OC2CC12,0.2724
OC1COC=NC1C#C,0.2646
CC(=O)N1CCCC1=N,0.2267
Cc1c(ncnc1C)C,0.2162
CC(C)CC1(C)CO1,0.3401
CCC1OC1C(N)C#N,0.2953
OC1=CC(=NN1)C1CO1,0.2435
CC1CC(O)C2(CC2)O1,0.29
CCC1N(CC1=O)C=O,0.2147
C1C2C3C4CN2C13C=C4,0.2337
COCC(C)C(O)C#C,0.2819
CC1CC23CCC2(C1)O3,0.326
CNC(=O)CC1CCO1,0.2716
NC1=CC(=O)C2COC12,0.2023
CC1CC(CO)O1,0.322
C#CC1CN2CC(C2)O1,0.2483
CC1NC1C(C#C)C#C,0.2861
NC1=C(NC=C1)C1CN1,0.2214
Cc1cc(n(n1)C)O,0.2557
C1NC11C2OC1C=C2,0.2318
CC1CC2(CC2)C(=O)N1,0.2725
CC1(OC2CC12)C#N,0.2729
CCC(=O)NC=N,0.2432
CC1C2NC2C1(O)C=O,0.2008
COC=Nc1cnno1,0.1845
OC1CC=CCCC1=O,0.2139
NC(=O)C1CC2CCC12,0.2691
OC1CN2C=NC=C2C1,0.2491
CC1NC(CC1=O)C#C,0.2205
CCCC(C)C1CN1C,0.3019
N=C1NCC2=C1N=NO2,0.1635
c1c(nc[nH]1)OCC=O,0.184
CN=CN(C)C(=N)C=O,0.1482
CC1C2CC3C(C1O)N23,0.2888
N=COCC1CC(=N)O1,0.2783
CC#CC1CN1CCO,0.2621
CCC1C2CC1(C2)C#N,0.3272
C#CCC(CC#N)C#C,0.2871
CC1C2OC3C(O2)C13O,0.2881
CC1=CN=C(OC=N)O1,0.2203
C1CC1C12CC1C1OC21,0.2824
CC12CC(CO)C1CO2,0.3111
CC1(CO)OC2CC1C2,0.3248
CC1(CO1)C12CN(C1)C2,0.3043
CN1CC23CC1C2CO3,0.2616
OC1C2CC2C11CO1,0.307
O=CC12NCC3C1NC23,0.1994
CCC12CC1C1(C)CC21,0.287
CC(C)(C1(CC1)CO)O,0.3289
CC12NC3C(C1O)C23O,0.2776
C1NC11C=CCC11CO1,0.245
COC1C(O)C11COC1,0.2935
CCC12C(O)C1C1OC21,0.2804
CC1(CCCCC1)CO,0.3354
OC1CCC2(CO2)C1O,0.3044
C(C(CO)NC(=O)N)O,0.2962
COC1COC(C1)C#N,0.2862
c1c(c(n[nH]1)O)C2CC2,0.2338
c1cnnc(n1)CC=O,0.1643
Cc1cnc(cn1)NC,0.1741
O=CC(C#N)C1CO1,0.2225
OC12CC1N1CC=CC21,0.2223
CCC(=O)C(O)C(C)C,0.2382
CC1C2C3C4C1C2C34O,0.3057
CC1C(C)(O)C1(C)CO,0.3033
CC12C3CC1(OC23)C=O,0.1989
COCC1(CN1C)C=O,0.2114
O=CCC12C3CC1CC23,0.2176
C1CN1CC2=CCOC2,0.244
CC1COCOCCO1,0.3329
CC1=C(COCC1)C,0.2553
CC(C)C1C2C3OC1C23,0.3036
C1CC2(C1)CC1OC21,0.3318
CNC12CNC1C2C#N,0.2662
CC1C2CCC22OCC12,0.3021
C1C2C1C1OCCOC21,0.314
CCC(OC=N)C#C,0.2826
CCC1(OCC1=O)C#N,0.2205
CC12CC1C1(CC1)C2O,0.3153
CC1(CO)NC1C1CO1,0.2981
CC12C=CCC1CC2O,0.2504
CC1(C#N)C2CCCN12,0.2754
OC1CCNC(=O)C=C1,0.2068
OCC1OCC11CCC1,0.3038
C#CC1CC1CC1CC1,0.2901
C1C2C=CC11N=COC21,0.2304
CC(C)C(=O)CC#C,0.2294
c1c(c(ncn1)CO)N,0.1872
CCCc1[nH]nc(n1)O,0.246
C1C(N=CO1)(C=O)C=O,0.1853
CC1CC2C3CC1C2O3,0.3203
CC1CCC2(NC12)C#C,0.2673
CC1CC11C2OC2C1C,0.3331
OC12CCC1OCC=C2,0.2376
CC1(C)C2CC1COC2,0.3185
C1OC2C3NC3C2=C1,0.2247
OCC1(CC2NC12)C=O,0.2058
CC1(O)CC(=O)NC1=O,0.234
CC(CC#C)C1CC1,0.3131
CC1OC11CC2NC12C,0.3044
CC1CC=CC=CC1C,0.1906
COC1CC2C1C2(C)O,0.3121
CC1(CC2(CC2)O1)C#N,0.262
CC1=CCC2CCC1C2,0.2576
C1C2NC2C11CC2OC12,0.3103
CC#CC1(O)CC1O,0.2649
NC12CC1CC2(N)C#N,0.2676
O=CNC(C#N)C1CO1,0.2763
CCNC(=O)C#CCO,0.2344
O=C1CC2CCC(=O)N12,0.2317
CC(C)n1c(ncn1)O,0.2663
CC(N=COC=O)C#N,0.2448
OC1CCCC=C1C=O,0.1919
CC(O)C(=O)NCC#C,0.2709
CC(=O)c1c[nH]cc1N,0.1636
CC(=O)C1CN1,0.2334
CN=C1OCC1C(C)=O,0.2271
C#CC#Cc1ccco1,0.1672
O=CC(NCC#C)C#N,0.2093
CN1C2CC2C1C#N,0.2417
N1C2C3OC2C2OC3C12,0.2606
CCCC(O)C(C)(C)O,0.3121
O=CC1CC2NC12C#N,0.2094
O=C1CNC2C3CC12N3,0.2048
CCC(=O)NC(=N)CO,0.2451
CC(COCC#N)C#C,0.2783
C1C2CC3OCC3=CC12,0.2445
CCCCC1CC1(C)O,0.3242
CC12COC3C4C3C1C24,0.2865
O=C1CC2CNC12C#C,0.2004
CC1(C)CCC(N1)C#N,0.2702
OCC1CC(=O)N1,0.2787
O=CC1C2CC1COC2,0.2223
OC1CC2C3C2C(=O)C13,0.2343
C(CCO)CNC=O,0.2824
[O-]C(=O)C1C2C3[NH2+]C1C23,0.2567
CC1(CC1)CC(=O)NC,0.2721
CC1OC(=O)CC=C1C,0.2571
Cn1cnc(n1)CO,0.2566
O=CC12COC1COC2,0.2211
CCC1=CC2CC1(O)C2,0.2354
C#CC12CC3CC1C3O2,0.2656
c1cnn2c1NC(=O)C2,0.2093
CC1C2CC(=O)C12C#N,0.229
OC1C2OC3OCC2C13,0.3312
C1OC2CC1OC=NC2,0.2608
COc1ccncc1F,0.2297
CN1C=COC(=N)C1=O,0.1778
N=C1OC2CC1C1NC21,0.2783
CN=c1cccc(o1)N,0.1618
CC12C3C(O)C1C(=O)N23,0.2449
CCC#CC1OC1C=O,0.2139
CC1(CO)OCC11CN1,0.3023
C1CN1C1CC11COC1,0.2965
CC1OC(=N)C2CC1O2,0.269
COC1(CC1)C#CC#N,0.2164
C1CC2=CC3COC3C12,0.2432
CC1=CC(=O)OCC1,0.2184
O=CC1OC=NC1C#C,0.2198
CC1C=CCC2(C)CC12,0.2634
COC1C2CCC1N2C,0.3005
CC12CC(C#C)C1CO2,0.2853
C1C2OC3C4C3C2C14,0.3099
COC(=O)C(N)CCO,0.238
CC(CC#N)(C#C)C#C,0.2858
CN=C1OCC1C(C)C,0.2788
CC1C2CC1C2NC=O,0.2761
CC1(O)CC2CC12C#N,0.2846
C(COC=O)COC=O,0.2846
N=C1OCC2NC1C2=O,0.2198
OC1CC23CC12CCC3,0.2993
OC1C(=N)OCC11CC1,0.288
c1c([nH]c(n1)NC=O)O,0.1855
CCCC1=COC(=N)N1,0.2227
CC(N)C1(CN1C)C#N,0.2716
CC12OC3(C)C1OC23C,0.307
COCC#CC#CC=O,0.1789
C#CCC(C#C)C1CC1,0.3029
OC12CCC1CCOC2,0.3179
NC(=O)C1COCC=C1,0.2437
COCC12CC1CC=C2,0.2469
CCC1OC1C1(C)CN1,0.3184
O=C1CCC(N1)C1CO1,0.2736
CCCCOC(=O)C,0.2849
OCC1C2CC1C1CC21,0.3259
CC1OC2C(=N)NC12C,0.2519
OC1COC2CC2C1,0.2963
CC12CC(CO)(CC1)O2,0.3216
CCNC(=[NH2+])C([O-])=O,0.1978
OC1C(CC1=O)OC=O,0.2162
COC1(C)C=CCC1=O,0.216
NC1C2OC=NC12C#N,0.2308
CC(O)C(O)C1(O)CC1,0.3035
CC1=CCC2CCC=C12,0.1966
c1c([nH]c(n1)CC=O)O,0.1584
CC(C)c1[nH]cc(n1)O,0.2278
CC1C2CCC12C=O,0.2255
CC1C2C=CC11CCN21,0.2153
O=CCC1OCC2CC12,0.226
CC1OC(=O)C=CC1O,0.2124
CCN1CC1C1COC1,0.3059
OC1(C#C)C2C3CN3C12,0.2495
N#CC1OC1CN1CC1,0.2424
CC1(OCC(=O)O1)C#C,0.275
O=C1OC2(CC12)C1CN1,0.2459
OC1CN2CC(C#C)C12,0.2639
CCOCCCCCO,0.3284
OCC1C2CC2N2CC12,0.2971
OC1CC2=CCCCC12,0.2572
C#CC1=CCC2COC12,0.2086
C1COc2c1nc(o2)O,0.2263
CC12CC3C(O1)C23C#N,0.2611
Cc1cc(c(cn1)F)N,0.2182
OC12COC(C1)C=CC2,0.247
C1C2CC3CCCC12O3,0.317
CC1CC11OCC(C)=C1,0.2258
Cn1ccnc1N(C)C,0.2355
C1C2CCC3OCC12O3,0.3214
NC(=O)CC(=O)OC=N,0.2156
CCC(=O)OCC=O,0.2289
OCC1CN2C=CN=C12,0.2498
OC1CC1C1CC(=N)O1,0.2569
OC12CC3CCC1CC23,0.3247
C1CC1OCC2COC2,0.3303
CC1C2OCC22COC12,0.3034
c1c(ocn1)C#CC=O,0.1666
OC12C3NC1C3C2C#N,0.2773
CC1=NCC(CC#C)O1,0.2711
C1CC23CC4CC(C12)N34,0.2956
Cc1cc(=O)[nH]nc1N,0.1606
CC1OC2C3OC3C=C12,0.2308
COC1CCOC(C)C1,0.3318
N=C(CN1CC1)OC=O,0.2315
Cc1ccc(nc1)C=O,0.18
CCOC=NCC1CO1,0.267
CC(C)C1(C)CC2NC12,0.3079
OC1CC1C(=O)CC=O,0.2059
CN=C1NN=CC=N1,0.1386
OCC12OC1CC21CC1,0.3037
CC1=CC(=O)CNC1,0.1669
C1C2NC3C2N=COC13,0.2386
OC1CC1N1CC1,0.3086
CCOC(C)(C)CO,0.317
CC1C2C3N1C2C3=O,0.2345
CCC(C#C)(C#N)C#N,0.2923
COC(=O)C1(CC1)CO,0.2698
CC1C2C3CN2C13C#C,0.254
CCc1ccc(cn1)C,0.2218
FC1=NC(=N)OC(=O)O1,0.2423
C1C(CO1)(CC=O)C#N,0.2188
OC(COC=N)CC#C,0.2765
OC(CC#C)C1CC1O,0.2698
O=C1NC2CC2C11CN1,0.2593
CC1OC1CC1CC1,0.3515
CC1C(O)C(=O)C11CO1,0.1871
CCCCOCCOC,0.3363
OC1CC2C3OC1OC23,0.3104
CC12CC3C(CC13O)O2,0.3068
OCC1CC11CNC1=O,0.2794
c1ncnc(n1)N2CC2,0.212
CC12C=CC3C(C=C1)N23,0.2105
CC12C3CN1CC2OC3,0.2911
OC1=NC(F)=NC(=N)N1,0.2048
CCC(=O)C1(CC)CO1,0.2228
CC(C)(C)C(=NO)C#C,0.2063
CC(=O)C(CO)C1CC1,0.2241
C#CC12CC3(CO3)C1N2,0.2755
CC1=CCCC2OC2C1,0.2555
CC1(O)COCC1CO,0.3072
c1coc(n1)C2CCC2,0.2393
OCC12CC1C1CN21,0.2859
CC1CC2C(=N)OC12C,0.2843
CC1=CCCCN1C=O,0.2155
OC1C2CC(CC#N)C12,0.3044
N#CC1CC2CC(C2)C1,0.3333
CC(C)C1CC(=O)O1,0.2853
COCCc1[nH]ncn1,0.2694
C1OC11CC2C3CC1C23,0.3366
c1c(cn(n1)CCO)N,0.2193
CC1C2C(=O)OCC12O,0.2646
CCn1cc(c(n1)O)C,0.2386
O=CNC1C2CC(=O)C12,0.2277
O1C=C2C=NC=C2N=N1,0.1556
CC1C=CCOC1CO,0.2671
CC1C(N)C1(N)C#N,0.2565
CCCC#CCC(C)O,0.2933
CC1NC11C2CC1(O)C2,0.3036
N#CCC1CC=CC1,0.2662
C1C=C(C(=O)O1)CCO,0.2211
COCCC(O)C1CC1,0.3223
NC(C=O)=NC1CC1O,0.1764
CC(=O)N(C)C,0.2696
CC#CCCC1CC1,0.3044
CC1C=CCC1(C)C,0.2642
O=C1NCC1C1CCO1,0.2741
CC1CC2COC2C1O,0.2946
CC12CC1(CC#C)OC2,0.2777
CC12CC(C=C1)C=CC2,0.2354
CCCC1(C)C2CC1C2,0.3638
OC1C2CC(C#N)C1O2,0.2988
OC12C3CC1NC23C#C,0.2454
CCC(O)C1C2CC1C2,0.3342
CC1(C)COC(C1)C#N,0.2935
CC1CC2CCC1(O)C2,0.3208
C#CCC1CO1,0.3095
CC1(C)OC1(C)CC=O,0.2234
O=C1CC23OC4C2NC134,0.1744
c1cc(c(=O)oc1)N,0.1632
CC1(O)C2CC1(O)C2,0.3165
CC1OCOC2C(O)C12,0.3076
CNC1=NC(=N)N=NN1,0.1771
CC1C2(C)NC1(C)C2=O,0.2449
CC12CC3C(C1)C3C2O,0.3233
c1c(non1)COC=O,0.24
Cn1cncc1C#N,0.2151
c1c(c[nH]c1NC=O)N,0.1806
FC1=CC(=N)C=NN1,0.176
COC1C2C(C)N2C1=N,0.2369
O=COC1CC=CC1,0.2647
CC1C(O)C2C(C#C)N12,0.2618
CC1(COC(O1)(C)C)C,0.3219
CC1OC2CC2C(C)=C1,0.2453
CC12CCC1=CCCO2,0.2496
Cc1cc(c[nH]1)C(C)C,0.2415
CC(=O)C1OCCC1O,0.2077
COC12CC1N1CC21,0.29
CCC1=C(COC1)C=O,0.1824
C1OCC23C=CCC2C13,0.2388
Cc1cc(cc(n1)N)F,0.209
C#CC1=CC2COC2C1,0.2077
CC1CC2OCC12O,0.304
OCC1C=CCC1C#C,0.263
CC1CC2C(CCO)C12,0.3247
CC(CCO)C(O)C#N,0.285
CC12C3C1C1=CC3CC21,0.1963
N=C1CN=CNC(=O)O1,0.2416
CNC1=CC(=O)NC1,0.2159
CC1C2C3C(CO)C1N23,0.3029
CC(O)COCC(N)=O,0.2803
OC1C2C=CCC12O,0.2315
CC1=CC(CO)N2CC12,0.2342
OCC1NCC1=NO,0.2363
CCCNC(=O)C(=O)N,0.2111
CC12COC1C2N1CC1,0.2816
O=C1C2CC1C=CC=C2,0.1617
OC12CC1C(=O)C(=O)C2,0.1507
C1CC2CCCC2C1,0.3707
CC(=O)C1C2CC2C1=O,0.2151
CC1CCC2(CO)CN12,0.3052
CC(=O)C(=NC)NC,0.1798
CC1(COC1=O)C1CC1,0.2797
Cc1c(c(=O)nco1)N,0.1799
c1cc(c(cc1F)F)N,0.1984
CC12NC1C1C2NC1=O,0.2545
CCC12CC1OC2(C)C,0.2985
CC1C2C3OC2C(O)C13,0.3079
C1CC(=O)C(=O)NC=C1,0.1756
CCCC1(O)CC1CO,0.3225
C1CC(C1)n2nnnn2,0.2698
CNc1c([nH]c(=O)o1)O,0.2263
OC1CC=C2CCC=C12,0.1948
N#CCC1OC11CCC1,0.3076
CC1C2CC(=CC12)C#C,0.1979
CC(C)CCCCC#C,0.3164
CC(=O)C1=CN(CC1)C,0.1713
CC(=NO)c1ccc[nH]1,0.1775
CCCC1OC1CCO,0.3378
CC1OC(C2CC2)C1=O,0.2172
O=C1OC2C3CCC3C12,0.2746
OC1=CN=CC(=N)N1,0.1587
NC(=O)C1C(O)C1CO,0.2528
CCC1C2C(=O)CC12C,0.2297
CCC(C)OCC1CN1,0.3212
C#CC1C2C3OC3CN12,0.2518
C1OC2CCN3C1C3C2,0.2945
C#CCC1OCC=C1,0.2437
OCC12CC3C4C1N4C23,0.2925
O=CC12CN3CC(N1)C23,0.1715
CN=C1NC(CO1)C=O,0.1815
CCNC(=O)OC(C)C,0.3129
CC1NC(=O)C2COC12,0.2657
O=C1CCNCC11CN1,0.2124
OC1CC=CC(O)C1,0.2591
OC1CC(=O)C=CC1O,0.1893
N=C1OCC2CC(=O)C12,0.2135
CC1OC(=O)NC2CC12,0.2899
Cc1ccc(c(c1)N)O,0.2007
CC1C2OC1(C=O)C=C2,0.2128
O=CC1CC=C(C1)C=O,0.1895
CCOC(=NC)C1CC1,0.2719
CC(C)(C#N)C(=O)C#N,0.2071
CC(C)N1CC(=O)C1C,0.2076
COc1cc(n[nH]1)C#N,0.2183
CC1C2C3CC(C23)C1C,0.3283
CCC(O)C1COC1C,0.3047
C1C(CO1)OC2COC2,0.3085
CC(=O)N1CC12CCC2,0.2532
C(C(=O)NC(=O)CO)N,0.2165
CC1CN=C(O1)C1CC1,0.26
CCC1OC(C=C1)=NC,0.2008
CCc1c(cc[nH]1)C#N,0.2224
CN(CC1CC1O)C=O,0.2727
CC1N2CC(C2)OC1=N,0.2457
c1c[nH]c2c1CCN2,0.2252
CC1CC=CC1C1CC1,0.2634
CCC1OC2CC2C1C,0.3058
C1C=C(CO1)C(F)(F)F,0.2351
CC(OC=O)C1CC1O,0.2799
N=C1OC2C(NC12)C#N,0.252
C1CC11C2C3CCC1N23,0.309
CC(CC(C)=O)OC=O,0.2337
O=CC1=NCC2CCN12,0.1646
OCC1C2C3CC=C1C23,0.1793
C1CC(C1)COC(=O)N,0.3231
CC1C2C(=O)NCC12C,0.2669
CC1(O)C(CO)C1C#N,0.2877
[NH3+]CCC1CC1C([O-])=O,0.2495
CCC#CCOCC#C,0.2638
C#CC(C#C)(C#N)O,0.2584
C1C2OCC3=CCCC123,0.2314
Cc1cccc(c1)C=O,0.1918
CC#CCC1(C)CO1,0.2991
OC1CC1(C#C)C#N,0.2657
CC#CC(C=O)C(C)C,0.2157
Cc1c(c(n[nH]1)CO)N,0.2151
CC1(OC1C(N)=O)C#N,0.2451
CCC(C)C(CO)C#C,0.3031
NC1=NC(=N)C(N)=CO1,0.193
CC(=NCC=O)OC,0.2229
O=CC1C2CC3CC2C13,0.2207
CC1(CCC(=O)O1)C#N,0.277
CC1C(C=O)C2NC12C,0.2043
CC12CC(C)(O1)C1OC21,0.3213
CC1=CC(=O)C(=O)NC1,0.1647
OCC1(OCC1=O)C=O,0.1906
CC12CC34CCN(C13)C24,0.3019
O=CCOC1CCC=C1,0.2271
COC(C=O)C(C)=O,0.1936
OCC1CC(=O)OCO1,0.2692
CC12CN3CC1OC2C3,0.2862
CC12NC3C1N(C=O)C23,0.2514
CC(C#C)C1=NNC=N1,0.2601
CC1CC2(C)CCOC12,0.317
N#CC1CNCCO1,0.2473
CC(=N)OC1=CON=N1,0.2169
OC1CC2C1COC2=N,0.2777
CC1OC2(CCC2)C1O,0.3005
CC(C)(O)C1(CO)CO1,0.3341
Cc1cc(no1)CC#N,0.2439
CC1CCC(O)C2CN12,0.2871
OC12CNC1C2OC=N,0.2593
CC(C)C(C=O)C#N,0.2232
OCC1=CC2CC1C2O,0.2393
CCC1(C)CC=CC1=O,0.1885
C1C2C3C=CCC1C23,0.2472
COC(C)C1C2CC1C2,0.3347
c1c([nH]c(=O)[nH]1)CO,0.2335
OC1CC=C(C1)C#N,0.2226
CC1(O)CCC(C1)=NO,0.2502
CN1C2CCOC(=O)C12,0.2363
C(CO)C#CC#CC#N,0.1926
CC(C#N)N1C2CC1C2,0.2708
O=C1NCC11CCC=C1,0.2448
CC(=NO)c1ccn[nH]1,0.1891
COC1CC2(CC12)C#C,0.2713
Cc1cc(=O)nc(o1)O,0.212
CC1CC(C)(O1)C1CC1,0.3223
CNc1cc(n[nH]1)C#C,0.2081
CCOC1(C)COC1C,0.3178
C#CC1=CC(=O)OCC1,0.1875
COCCC(OC)C#C,0.2863
CC1(C=O)C(O)C1C#C,0.2209
Cc1cc(=O)cc([nH]1)O,0.2048
CCCC(C)CC,0.383
CC1C(OC1=N)C#C,0.2756
OC1CC2(CN2)CC=C1,0.254
OCC1CC2C3C1CN23,0.2959
CN1CC11C=CC2NC12,0.2164
Cc1c([nH]c(=O)[nH]1)CO,0.219
OCC12CC3C1C=CC23,0.2253
CC#CC1(C)CCCO1,0.2942
O=CC1OC11CC2CC12,0.2176
COc1cc(on1)C=O,0.1857
CC12CN1CC1CC2O1,0.3009
NC1=C(N)C(=N)OC=C1,0.158
COC1CC11CCO1,0.2842
N#CC12CCC1OCC2,0.2924
c1nc(c(o1)N2CC2)O,0.2092
CC1C(=O)NCC1(C)C,0.2727
C#CC1C2CC(C#C)C12,0.2798
N#CCCC12CC1OC2,0.278
CCOC1C2C3CN2C13,0.3057
NC1=CC(=N)NC(F)=N1,0.1867
CCC12CC1C(O)CO2,0.295
CCC12CC(=O)CC1N2,0.2226
CN=C1CCCN1C=O,0.2304
CC12NC3C1OC2C3O,0.2847
C1CC1C12C3CC1OC23,0.3111
CC1C=C2CN3C1C23C,0.173
Cn1cc(cc1O)CO,0.2352
O=CC12CCC(=O)C1N2,0.2041
CC(C)(C=O)NCC#N,0.2193
CC12C3CN(C13)C2(C)C,0.3041
N#CC1C2NC1C2C#N,0.2762
Cn1c(nc(=O)nn1)O,0.1728
c1c(c(on1)N)NC=O,0.2132
CC(O)CC1=NNN=C1,0.2566
CCCCOC(C)C#N,0.2965
CCCC1CC(C)C1=O,0.2177
CC(CO)C#CCO,0.2852
O=C1CC2(CC2C#N)N1,0.2792
CC12C=CCC1CC=C2,0.2465
c1coc(c1C2CC2)N,0.2197
CCCCCC1OC1C,0.3476
CCC12CC1(C)OC2C,0.3015
CCC1NCC(=O)C1=O,0.1249
CC1C2(O)CC(O)C12O,0.2883
CC1=COC(=C1)C1CN1,0.2199
N#CC12C3C4C3C1C24,0.2577
CC12CC3C4C3C1C24,0.3054
c1c(c(c([nH]1)O)O)C=O,0.1783
CC1CCC(C)C(O)C1,0.3314
OC1C2C3CN2CC13O,0.2728
CC1(O)C2CC1OCO2,0.3144
COC1C2OC1C2=O,0.2373
CC(C)C1C(C)C1C=O,0.2246
CC#CCc1c[nH]nn1,0.2473
CC1(O)C(OC1=N)C=O,0.2032
OC12CC3C4C1C2C34O,0.289
CC1C=C2C3C4C2C1N34,0.1612
CC(C([O-])=O)C(C)(C)[NH3+],0.2765
NC(CC#N)C(F)(F)F,0.2911
Cc1cc(=O)cc(o1)F,0.2031
c1cc(n(c1)C(=O)N)O,0.1802
O=C1C=C(C#N)C2NC12,0.1568
C1COC(=O)CNC1=O,0.2493
C1C2C3CCCOC2C13,0.3278
OCC12NC1C1CC21O,0.2661
CC1=NC2CC2C(=O)N1,0.2276
CC1CC11CCCC1C,0.3373
NC1=NCCC1(N)C#N,0.2371
C1CC23C=CC4C2N4C13,0.2271
CC12CC3OC1C2O3,0.3305
CC1=CC2OC2C=CC1,0.2268
OC12C3OC(C13)C2C=O,0.2042
CC1C2C3CC3C12C=O,0.2037
OC1C2CN=CN2C1=N,0.2326
CC1(CO)C2C3OC1C23,0.2982
CN=C1OC2CC1(O)C2,0.2791
CC1(C)CCCOC1=N,0.2774
CN=C1OCC(C)C1=O,0.1839
CC12C3C4N1CC2C34O,0.2798
OCCC12CCC1CC2,0.3362
CC1OC2CC3OC2C13,0.3132
CC1(C)CC(=O)C1CO,0.2201
c1c(c(n[nH]1)CCO)O,0.2282
NC1=COC([O-])=C1C[NH3+],0.1345
CCC(O)(CO)C#CC,0.2798
CNC(CO)C(F)(F)F,0.3017
OC12CCCC1OC2=N,0.284
O=C1OC2C3OC2C3O1,0.2935
Cc1cc(oc1)CC=O,0.1924
CC1CC2OC3C2C13,0.3085
CN1C=C(N)C(=N)N=N1,0.1604
c1cc([nH]c1)OCCO,0.2427
O=CC1CC2OC12,0.2163
CC(C#N)N1C=CC=C1,0.232
CC(C)OCCC1CO1,0.3361
COC1(CC1)C(=O)N,0.2663
CC12C3CC1C(C)(C)N23,0.3187
CCc1ccccn1,0.2276
C1OCC23OC(C=C2)C13,0.232
c1c2c([nH]n1)COCC2,0.2511
CCC(O)C=O,0.2365
CNC(=NC1CC1)C#N,0.1886
O=CC1CCC=CCC1,0.22
Cc1ncc(n1C=O)N,0.152
OC1C2COCOC12,0.3096
C1COCCC1CC#N,0.2906
CC(C)C1NC1(C)CO,0.3035
C#CC#CC#C,0.19
C1OC2C3C4OC(C34)C12,0.2992
CC1CNC=CC1=O,0.19
C1CCN(CC1)C(=O)N,0.2863
CC1(CC1C1CO1)C=O,0.2318
CC1CCC(=O)OC1=N,0.2568
CCC(C)C1C2CCC12,0.3303
CCC1=CC2NC2CC1,0.2371
N=C1OCC(CC#C)=C1,0.2137
OC1C2OC2C2CC1O2,0.2994
OC12CC1(CC#C)CC2,0.2998
OCCC1=CCC2OC12,0.2429
NC(=O)C1CC1(N)C#N,0.2376
CC1(CC2CC2)CC1O,0.3288
CC1C2C3OC1C23C#C,0.2562
CC(CO)(C#C)C#C,0.2925
CCC1CC2(CC12)C#N,0.2878
CC1(O)C2(O)CC1(O)C2,0.3064
CCC1C(C#C)N1CC,0.2561
CN(C=N)c1ncno1,0.2201
CN=C1OC2CNC12,0.2554
c1cnn(n1)CC#N,0.2559
O=C1COC(O1)C1CN1,0.2537
OCC(O)CNC=O,0.2814
CCCC12CC1(O)CC2,0.3194
OC12CCCC1C=CC2,0.2661
CC(=O)C1COC1C#C,0.2293
CC(CCO)(C#C)C#C,0.2926
C1C=Cn2c1nc(n2)N,0.1802
C1CC2COC3C1C3C2,0.2995
CC(C)C(OC=N)C#C,0.282
CC12C(O)C1CC1CN21,0.2859
CCC(C)OC=NC,0.2738
O=C1NC2C1COC2=O,0.25
CC1C=CC23CC(C2)C13,0.2486
COCC(=O)CNC=O,0.2141
CN1C(COC1=N)C=O,0.189
CCCC(C)(C)C#C,0.319
CC#CC1CC(O)C1=O,0.2069
CC1C(C)C1(C)C#C,0.2902
C1CC(C1)(CC#N)C=O,0.2231
CC#Cc1n[nH]nn1,0.2191
OC(CC=O)C1CC1O,0.2064
CN1CC11CCC1O,0.319
CC1CC(CO)C=C1C,0.2537
NC1(C[NH2+]C1)C([O-])=O,0.2597
COC(=O)CC(C)C#C,0.2706
C1C(=O)CN1CC(=O)N,0.2068
COC1C2CC(C2)C1=O,0.2066
COC1CCCNC1=O,0.2502
CC1OC2COCCC12,0.3114
CC12OC=NC1C1NC21,0.2651
OC12CCC1NC2=O,0.2564
c1cc([nH]c1)C(=O)CO,0.1878
CN(C=O)C(=O)COC,0.2279
COC1(CO)COC1C,0.3022
OC1CC2CC1N=CO2,0.2671
CC1CCC(C#C)C1C,0.3079
c1nc2c(o1)OCC2,0.2165
CC(O)C1COCC=C1,0.2517
N#CC12CC1C1NC21,0.2471
CC(CC#N)C(O)C=O,0.2347
O=C1OCC(O1)C1CC1,0.3292
CC1(CCO)CCO1,0.318
OC1C2CC2OC1=O,0.2635
CCc1cnc(o1)CO,0.2371
CCC1=CC2OC1C2C,0.2339
C1CC=C(COC1)C=O,0.1887
N#CC1OC2C3OC2C13,0.2583
CC1=CC(=N)N(C1)C=O,0.2022
N=C1OC(=O)C=C1C#C,0.1735
CC1C2N1C1C(C)C21O,0.2818
CC(O)C1=CN=CN=C1,0.2091
CC12CC3CCC(C1)C23,0.3369
COCC(=O)C#N,0.1998
CC1=CON=C(N)C1=N,0.1801
CCC1C(O)C(O)C1=O,0.2191
c1c[nH]c2c1[nH]c(n2)O,0.214
CC12CC(C)(C1)CCC2,0.3472
OC12CCOC1COC2,0.2995
c1nc(on1)C#N,0.2261
NC(N)=[NH+][C-](C#C)C#N,0.1407
c1coc(c1CO)C=O,0.185
OC1CCC(=O)C2NC12,0.2196
CC(CO)C([NH3+])C([O-])=O,0.267
C1CNC(=O)OC1,0.3078
COC(=O)CCC1CN1,0.2575
OCC12OC1C1C(O)C21,0.2756
CC(C)C(=O)CC1CN1,0.2198
CCC1OC1(C=O)C=O,0.1956
NC1=NNC(O)=NC1=N,0.1909
N=COC(=O)CNC=O,0.2197
[NH3+]CC1=C([O-])NC(=O)O1,0.205
OCC12CC1(O)C1CN21,0.3061
CCC12CC(O)(C1)CC2,0.3262
COc1nc(c(o1)N)N,0.2237
OC12CC3(O)CC1(O)C23,0.2798
Cc1cc(c(o1)OC)N,0.2116
CC(=O)n1cc[nH]c1=O,0.1938
CC1CC2(O)CC2(O)C1,0.2971
COc1ccc(o1)C=O,0.1727
O=CN1CC1C#N,0.2512
CN1C2C3NC3(C#C)C12,0.2586
COC(C)(CC#C)C#C,0.2875
O=C1OCC2CCC1C2,0.2736
CCC1C=CC2C(C)C12,0.2421
CC1CC2(C)CCC1O2,0.3244
O=C1OC2CCC2C1=O,0.1696
N=C1OCC2CC2O1,0.2881
C1CC1C(=O)CCC=O,0.2287
CC(O)C(=O)CC(C)=O,0.2072
O=C1OC23CCC2C1C3,0.2611
CCC1(CCCO1)C=O,0.2113
C#CC(=O)C(=O)CO,0.1498
N#CCC1C2COC12,0.2933
CC1C2CC3C2(C)C13O,0.3064
CC12C3OC1C(=O)C23,0.2242
CC12OCC1C2CC#N,0.2902
CC1=CCc2c1c[nH]n2,0.2075
CC12CC3OCC13CO2,0.3091
CCC12COC(CO1)C2,0.3211
COCc1ccoc1N,0.2169
CC12COC3CC1N2C3,0.3064
CN1CC1(C)CN1CC1,0.3125
CCC1C2CC1(CO)C2,0.3374
OC12CC1C1CC1C2,0.3196
C1OC2C1C1CC2CO1,0.3237
C1OCC11C2C=CCN12,0.2283
CN=C1OC2CC2C1C,0.2662
CN1N=CC(=N1)C1CN1,0.2214
c1cnc(nc1F)CO,0.2117
OCC1CNC1=O,0.2804
CC1CCOC(=N)CC1,0.2702
CC1(NC1C1CN1)C=O,0.2037
N#CC1CC(O1)C1CC1,0.2795
CCC#CC(C)C1CO1,0.2984
CC1C2C3OC(=N)N1C23,0.2661
OC12COC(C1)OCC2,0.3168
CC(C)C1CCC=C1C,0.2585
CC1N2CC1(C2)C(N)=O,0.2383
Cc1[nH]c(=O)nc(n1)O,0.2156
OCCC1=NCC(=N)N1,0.2303
CC1=CC(OC=O)OC1,0.2559
OC1C2C3C4COC13C24,0.2992
C1CC(C1)(C(=O)N)O,0.2758
CCC1CC1O,0.3338
CN=CNc1cnon1,0.2008
CC1(NCCC1O)C#N,0.2801
O1C2C3OC=NC2C13,0.24
COC12CC3NC1C23O,0.2749
CC(C)(C)NC=O,0.2781
CC(C)C(=O)CC1CO1,0.2278
O=CC12CC1C(N2)C#N,0.2198
CC1(CCCO1)C#N,0.3021
CNc1cc(oc1)OC,0.2282
N=C1N=CON=CC1=O,0.1724
CC(C)C(=O)C(C)O,0.2332
OC1CC2C3C=CC2C13,0.231
Cc1c(nccn1)OC,0.1994
OC1=NC(=O)N=NO1,0.2679
N=COCC1=CNC=C1,0.2404
C#CC1=CCC2NC12,0.2034
CC1(CN1)C1=NC=CO1,0.2387
c1cnc-2ccocc12,0.1563
NC(=O)OC12CN(C1)C2,0.2945
OC12CCC(CC1)C=C2,0.2633
CC#CC1(CO1)C(N)=O,0.2501
CC12CC(=O)CC1O2,0.2271
CC(C)(C(=O)CC#N)O,0.2319
CC1N=C(N)C(=O)C1C,0.1834
CN1CC1C#CC(N)=O,0.2116
Cc1nc(co1)CC=O,0.212
N#CCCC12CN(C1)C2,0.2728
CC12CCC1(C#C)C2O,0.2599
CN=C1N=CN(C)C=N1,0.1802
CNc1coc(c1N)N,0.2239
Cc1c(c[nH]c1O)CO,0.23
CC1C2CC1C(O2)C#N,0.2804
c1nc(=O)nc(o1)CO,0.2151
CC1=CC2(C)OC1C=C2,0.1995
COC1(C)CC1(C)C#N,0.3022
CC1OC2CCC(C2)O1,0.3305
COc1c(nc[nH]1)N,0.2256
Cc1cc(oc1C#C)N,0.1819
CC1(O)CC2CCCC12,0.324
CC1=CC2C(C#N)N2C1,0.2292
OC(C#C)C1(CC1)C#C,0.2667
CCC1C(C)N(C)C1=O,0.2762
CC12CC1(C)C(=O)O2,0.2725
CC1(O)C2NC1C21CN1,0.2981
CCCCN1CC1(C)C,0.3052
COc1cnc(cn1)O,0.1747
CC1(C)OC2C3CC3C12,0.3142
CC(O)C1(C)CCC1C,0.3201
OC12C3OC1C3CC2=O,0.2039
CC(=O)N1CCCC=C1,0.2131
CCOC(C)(C)C(=O)N,0.2777
N#CC1C2C3C1N=CN23,0.2333
CCCCC1COCO1,0.3391
C(c1c(oc(n1)O)N)N,0.2363
C1C2OC1C1=C2COC1,0.2259
N#CC1NCC2CNC12,0.2643
c1cn2c(n1)OCCC2,0.2412
CC(=O)c1cc([nH]c1)O,0.1816
CC(C)(C=O)C1CC1,0.2252
CCN(C)C(=O)C(C)O,0.2673
CCOCC1CCC1,0.3397
C#CCC(=NO)CC=O,0.2185
CC(C)C(O)CN1CC1,0.2975
CC12OCC1C1COC21,0.2858
CC1OC2CCC1(O)C2,0.3
CCC1C2NC2C1C#C,0.2789
Cn1c(ccc1O)N,0.2357
C#Cc1cnc(o1)CO,0.1991
CCC1OC2CN(C)C12,0.29
CC1(C)C2C3C(O)C3N12,0.2692
c1nc(n(n1)CC#N)O,0.256
COC1CCOC1C#N,0.2833
CC12C3OC4C3N1C24C,0.3027
N#CCNC1CC1C#N,0.2662
CC12CC3CC1CC2C3,0.3462
C1C2C1C1CCC2C1,0.3391
CC12CC(N1)C(=O)OC2,0.253
CCC1C2C(O)CC12O,0.3101
C1CC2C3COC2C1O3,0.3167
O=C1C2C3NC4C3N2C14,0.2112
COC1C(C)CC1C#N,0.2913
CC1C2COC12C1CC1,0.2989
CCN(CC#N)C(=O)N,0.2646
COCC1C2C=CC1C2,0.2363
CN1C2C(CO)C1C2=O,0.2442
CC1=CC(=N)ON=N1,0.1642
CC1CC2(CN1C2)C#N,0.2691
CC12OC1C1OCC1=C2,0.2313
C1CNC2=C(N1)ON=N2,0.1566
CC1=NC=NC=NC1=N,0.1702
CC1=CC(=N)N=NO1,0.1645
CC1CCC(CO)OC1,0.3291
CC12NC1C(O)C2=O,0.2016
COCc1c[nH]cc1O,0.2427
COC1(C)CC1CC#C,0.3107
OCC1C2CC1C2=NO,0.2707
O=C1C2C3N2C1C31CC1,0.2283
Cc1c[nH]c(c1NC)O,0.2404
Cn1cc(c(c1O)N)N,0.2217
Cc1c[nH]c2c1CCO2,0.2337
CC1CC2NC2(C)CO1,0.3084
OC1C2C3CN3C12C#C,0.2346
CC1COCC1(C)CO,0.3115
C#CC1(C#C)C2COC12,0.2528
OCC1=NC2CC2O1,0.2642
N#CC12CC1CO2,0.2541
CN1C=C2CCN2C1=O,0.2208
c1(nnon1)N=C(N)N,0.1829
CC1(O)CC1OCC#N,0.2626
N#CC12CC1OCC=C2,0.2417
CC12OC3C1C1CC1C23,0.3169
C1C2CC1C1OC1C=C2,0.2376
CC1=CC2CC1C(C)=C2,0.2147
CC12CC1C1CC2C1,0.3378
OC1CCC2(CO2)C=C1,0.2444
CC1CCC2CC2OC1,0.3139
CN1CC1(C)C1(O)CC1,0.3004
CC(=O)NC1(CC1)C=O,0.2197
CC(O)C(O)(C=O)C#C,0.1998
CC12CCOCC1(C)N2,0.3065
CCC(=O)C#CC,0.2094
OC12CC1C1OC2C1=O,0.2363
OCCC12NC1C1OC21,0.2742
c1[nH]nc(n1)NC2CC2,0.2261
CCC1(C)C(C)OC1C,0.3149
O=CC(=O)N1CC1C#C,0.1679
C#CC1OCC2CC1O2,0.277
C1CCN=C(C1)OC=O,0.2369
CC12COC1C1CC2C1,0.3228
CC1C(C)N1CC(C)=O,0.2171
OC1C(O)C1(C#C)C#N,0.2606
CC1CC(C)(C)CO1,0.3131
O=C1CC2C3C4C(C14)N23,0.2093
CC(C#N)C1=NCCO1,0.2625
CC1CC2(C)NC(=O)C12,0.2671
CC1(CNC1=O)C(N)=O,0.2561
C#CC1CC2CC1O2,0.2931
OC1C=C2CN3CC1C23,0.2039
CC(=O)C1(O)CCC=C1,0.2177
COc1c(con1)CO,0.2525
CN1C2CCC12CO,0.3289
CC(C)Oc1nnon1,0.2159
CCC1CC(C)=CCO1,0.2622
CC1C2C3OC4C3N1C24,0.2926
c1cnc(nc1)CCO,0.2086
CC(=O)NC(=O)NC,0.2407
COC12CC(C1C)C2C,0.3341
CC1=CC2CC3OC1C23,0.2357
CC1C(O)C2NC12CO,0.2982
C1C2CCOC=NCC12,0.2527
CC1=C(C=O)C2CC2N1,0.1741
NC(=O)CC1(CN1)C#N,0.255
CC1(O)C2CCC12CO,0.3017
OC1C2OCC2OC1=N,0.2738
CC1C2C3C(O)C1C23O,0.3058
CC1OC2C3C2C1C3O,0.3032
CN(C)C1CC1(O)C#N,0.2666
Cc1c(nc([nH]1)C=O)N,0.1536
CC1(CC1CC#C)C=O,0.232
C1OC11CC2C3OC2C13,0.3157
CC1(CC(C1)(C)C=O)C,0.227
CCC1C2COC2C1=O,0.1971
CCC1(O)CC1(O)CO,0.3007
CC1C=CC2(C)OC12C,0.2459
c1c(cn2c1CC2)CO,0.2445
CC1CC(CN2CC2)C1,0.3178
NC(=O)OC1CCCO1,0.3224
C#CC#CC(C=O)C=O,0.1802
Cc1cnc(o1)C(=O)C,0.1877
NC1=C(C=CN1)C1CN1,0.2331
C#CCC1CC2(CC2)O1,0.2789
CC12OCCC1C1CC21,0.3198
Cc1c(nc[nH]c1=O)C,0.1895
CC(C)C1(CN1C)C#N,0.2758
CC(=O)C1C2CN=CN12,0.2081
N#CC1OC1C1CN1,0.2467
O=CC1C2C3C2C(=O)C13,0.2084
CNc1c(con1)OC,0.2244
CN1C2CC1C21CC1O,0.2727
OCC12CCOCC1N2,0.3137
N=C1CCC(O1)C1CO1,0.2879
OC12CC(C1)OC2=O,0.2786
OCC1=NC(=N)C=NO1,0.1993
CC1(C)CC(=O)C1C=O,0.2117
CC1C(C)(O)C1(O)C#N,0.2662
CC(C)CC(=O)N(C)C,0.269
CC12CC(C)(O1)C2(C)C,0.3077
N=C1OCC1CC=O,0.2251
CC1(CN1)C1CNC1=O,0.2802
CC#CC(C)C1(C)CO1,0.2992
COCC(C)(C=O)C#C,0.2231
C1C2CC1C1OC2C=C1,0.2452
CC1CC2CC1(O2)C#C,0.2688
CC1=CC(=N)OC(=O)O1,0.2138
N#CCCNCC1CO1,0.2792
N#CCNC1C2CCC12,0.2574
C#CC1OC1C1CC1,0.2759
C#CC1OC(=O)C(=O)O1,0.2103
COC1CC1(OC)C=O,0.2149
CC1NC1(C)C#CCO,0.2576
CC(C)C1OC(=N)C1N,0.2685
CCC1=NC=NC(=N)N1,0.1783
NC(=O)C(CCO)C#C,0.2692
CN=CN(C=N)C=O,0.2253
c1cc(nc(c1N)F)N,0.1771
OCC12CCC1OC2=O,0.276
CC1CNC(=N)C(=O)N1,0.2058
CC1(CC(=O)C#N)CO1,0.196
CN1CC(C1)(C#N)O,0.2429
CC1CC23CC(O2)C3O1,0.3133
CC1C2CC3CC1CC23,0.3501
CC1OCCNC1=O,0.2607
OC1CC11COC1C=O,0.2089
COC12CCC1CC2=O,0.1972
OC1CNC(=O)COC1,0.2527
CCc1cc(oc1)C=O,0.1851
CNC(COC=N)C#N,0.2576
CC1N2C=NC3C2C13N,0.211
ON=C1CC2(CO2)C1,0.2455
Cn1cc(nc1C=O)N,0.1513
OC(C#N)C1OCC1=O,0.2255
CC1=CCOCC(=O)N1,0.2127
CC1OC(C#N)C2CC12,0.2961
C1CC2C3NC3C2CO1,0.3016
N=CN1CCC(=O)C1=O,0.1587
N=C1OC(=O)CCC1=O,0.1891
CC1(O)C=CCC1O,0.265
CC(C)(C)CC(C)(C)O,0.3194
NC=[NH+]CC(O)C([O-])=O,0.2586
CCOCC#CC,0.2843
c1c[nH]c2c1OCCC2,0.2272
CCC(O)C#CC#N,0.2378
OCC1(O)COCC=C1,0.2557
O=CNC1=CC2CC1C2,0.1958
CCC(=O)CN1CC1C,0.1962
CC12COC1CCC2,0.3216
COC(CC(C)C)C=O,0.2137
OC1C2C(O)C1C2=O,0.2291
O=CCNC(C=O)C#N,0.1984
COC(=O)C1CC2OC12,0.2748
CCC(=O)NC(C)C,0.2779
CC1CC(=O)C(O)C=C1,0.2107
COC(C)CC(F)(F)F,0.3365
N=C1NC=NCC2OC12,0.2225
C1C(O1)(CCO)CCO,0.3344
CC1OC23COC2C1C3,0.2823
CC1NC1(CC=O)C#C,0.2179
c1nc(c(=O)[nH]n1)C=O,0.1308
COC12COC1C=CC2,0.2514
CCOC1CC1(C)OC,0.3182
C#CC1(CCC1)CO,0.2977
OCC1CCOC(=O)N1,0.3022
C1NC1C1=NON=C1,0.2314
CC(C)CCC1CCO1,0.3254
NC(=O)OC1CCC1O,0.3071
COC(C)C(=O)CCO,0.2293
C1COC(O1)CCC#N,0.3081
CC1C2CC1(C)C2=NO,0.2702
C#CCNc1cnoc1,0.2132
CN1CCOC(=O)C1=N,0.1905
CC1=NCC2(CN12)C#C,0.244
COCC1C(O)C1(C)O,0.2983
CCC(=NC)NC=O,0.2306
OCCOC1CCC1=O,0.2031
OCC1CN1C(=N)C=O,0.1689
NC(=O)NC1CCC=C1,0.2537
CCOc1cocc1N,0.2286
CC12CN1C(C#N)C2N,0.2521
N=C1NC=C(O1)C#N,0.1791
CC12CCC11CC2C=C1,0.2277
C1C2OCCC=CC12,0.2515
O=CC12C3CC=C1CN23,0.1746
O=C1CCCC1C#C,0.2125
CC1(CN=C(C1=O)N)C,0.183
CC12C3C4C(N14)C23C#C,0.234
C#CC1=CC(=NO)CC1,0.1623
CC1(C)CC(N)C(=O)O1,0.2534
CC12OC3(C#N)C1OC23,0.2529
CC12CC1(C#C)C(=O)C2,0.2278
CCC1=NC=NC(=N)O1,0.1844
CC1(CC(=O)COC1)C,0.2116
CCNC1=NOC(=N)N1,0.2476
OC1C2CC(C2)C11CN1,0.3044
CC(=O)C1(CCC1)C#C,0.223
CC12CCN=C1OCO2,0.2686
COC1(C)C2CCC12O,0.3102
CC(O)C#CC1CC1C,0.2726
CC1CC(=O)C(=N)O1,0.1897
O=C1CC2C3CCC2C13,0.2282
COC1OCC(C)C1O,0.3319
OC1C2C3C2C2(CN2)C13,0.3132
Cc1cc(cn1C)CO,0.2375
NC12CCCC1OC2=O,0.2625
CC1(C)C2CC2C1=NO,0.2455
CN1CC2C3N2CC13C,0.2814
CC(C=O)C1(CO)CN1,0.2075
C#CC12CC(O1)C1NC21,0.25
Cn1c(cnn1)C2CC2,0.2465
C1C(=CC(=O)N1)C(=O)N,0.1883
CCC1CC2NC12C#C,0.2527
OCC1(CO)C2CC1O2,0.2907
CN1C2CC3C2N3C1=O,0.2593
C#Cc1cnc([nH]1)C#C,0.1799
C#CCn1cc(nn1)O,0.2239
CC1CC2C1N2CC=O,0.2232
CC(C)(C=O)N(C)C=O,0.2046
COC1CC(=O)NC1=N,0.241
Cc1[nH]c(=O)cc(n1)F,0.1981
CCn1ccoc1=NC,0.2143
CC1(O)CC1OCC#C,0.27
CC1C(N1C)C(C)=NO,0.2341
CC12NC(C1O)C2C=O,0.2025
CC#CC1CN1C1CC1,0.2632
CCC(=O)C(=O)N,0.1788
O=C1C=C2COC3C1C23,0.1683
CC1=CC2C=CC3C1N23,0.2125
COc1cc(c(o1)O)N,0.2166
CC1C(O)C1CCC#C,0.3033
C1CC1(C#N)O,0.2964
C1OC1C1=NON=C1,0.2397
OC1C2CN2C(=O)C1O,0.2403
CC1(CC1C=O)C#C,0.2173
CC(C)CC1CC1C#N,0.315
O=CCNC1CCC1=O,0.2025
CNC1(COC1)CC#N,0.2632
CC1(CO)C2C=CCN12,0.2267
CCC(COC)OC=O,0.2635
CC1(CC1)C2COC2,0.3207
OC12C3NC1CC23C=O,0.2172
CC12CC1(N)C(O2)C#N,0.2373
Cc1c(ncn1C=O)O,0.1642
CC1OC2C1C=CC2O,0.2551
CCC1=CC2C3CC1C23,0.2333
C1C2CC3COC2C1O3,0.3159
CC(CO)C(C)OC=O,0.276
CC1(OC(=N)C1O)C#N,0.2802
CN1C(C#C)C1(C)C#N,0.2459
CCCOCC(=O)CO,0.2245
CC1=C(C=CCC=C1)C,0.1819
CC(=O)C(O)C(=O)CO,0.2098
CC1C2CCC1(O)CC2,0.3246
C#CC(=O)c1ccco1,0.1714
CC1=C(COC1)NC=O,0.2062
CC(C)OC1CC1C#N,0.2943
C1CC2=CCCC=CC12,0.2468
CC1(C)CC1C(O)C#C,0.2915
Cn1cc(cc1C#N)N,0.1812
CC12CC3CC1C23CO,0.2933
COC(C)C1CC=CC1,0.2654
Cc1c(=O)ccccn1,0.1522
C(=O)N,0.2845
CC1CC2CC(O)CC12,0.3159
OCCC1(CN1)C1CN1,0.3029
CN=C1CC(O)CO1,0.2759
C1CC12CN(C2)C=O,0.2653
CC12CC3C4C1N4C23,0.3019
CC12CCN3CC(O1)C23,0.279
C1C(=O)CN1CCC#N,0.2139
C1C2OC3=C(ON=N3)C12,0.1855
CC(C)(C)C(=O)C#C,0.2025
Cn1ccc(c1)CO,0.2417
CC12CC=CC=CC1N2,0.1805
C1CC1(C2OCCO2)O,0.3196
CC1CC=CC(C1)C#N,0.2647
O=C1NC2COCC2N1,0.3008
C[NH2+]C(C)C(=O)C([O-])=O,0.1736
CC12OCC3(O)C1NC23,0.2853
CC1NC1(CO)CCO,0.3135
O=CCC1COCC1=O,0.2074
C1CC1C#CCC(=O)N,0.2665
CC1C(CC#C)C1C#C,0.2876
CC1OC2CC(=O)C=C12,0.1906
O=C(C#N)C1CC2CC12,0.1888
CCOC(C)(C)C#CC,0.2936
CCc1ccoc1,0.2423
OC1C2CC(OC12)C=O,0.2126
O=CC(=O)C1=NCCN1,0.1335
OC1CC2OC(=N)C=C12,0.2049
CC(C(O)CO)C(C)=O,0.2312
Cc1nc(n(n1)C)C#N,0.2168
OC1CC2(CC2)C2NC12,0.3051
CCC12OCC1C2(C)O,0.2973
Cn1cc(cn1)NC=N,0.2146
COC(=O)C(O)C(N)=O,0.2576
CC1CC1C(=O)CC=O,0.2082
CCCC12CN(C1)C2C,0.3017
CC1N2C3CC1(CO)C23,0.2887
CC(=O)NC1CC1,0.2717
CC1(C)CC2(CC2)C1O,0.3179
CCC1CC2(O)CN1C2,0.2928
CCOC1(C)CC=CC1,0.2653
CN=C1ON=NC=C1N,0.1655
CC(=NO)C1NCC1O,0.2426
CC1NC1CC#CCO,0.2778
CC1CC(=NO)C1C#N,0.2467
CC1(CN2CC12)C1CC1,0.3093
COC1(C)C2CN2C1=O,0.2157
CC(N)(C#N)C(N)=O,0.2622
CC12CC=CC1OC=N2,0.2524
CC#CC12NC3C1OC23,0.256
CCC(COC)C#C,0.3134
CC(C)C(O)(CO)C#C,0.2814
CC1N=COC(=O)C1N,0.2214
CC1CC2=C(NN=C2)O1,0.2418
CC1C2C3C2C2(CC2)N13,0.3092
c1coc(c1CC=O)N,0.161
CC(CC(C)=NO)C=O,0.2214
OC1CC1(O)C1CO1,0.3013
OC12C3CC1CCC23,0.3119
[NH3+]C1CC2(OC12)C([O-])=O,0.1391
OC1CC(C1)C#N,0.308
Cn1cc2c(n1)CCN2,0.209
CC(=O)N1CC1CC#N,0.2523
N=C1OC(C=O)C1C#C,0.2216
CC1OC2(CC2)C11CC1,0.3022
CCC12CC1OCC2,0.3097
CC1(O)CC1(C)C1CN1,0.3
O=CC12CC1C(=O)N2,0.2099
C#CCOC(=O)CCO,0.2798
O=CC1C2CC1(O2)C#N,0.2073
CC1C(=O)CC=C1C#C,0.2084
CC12C3C4OC(=NC14)N23,0.1485
c1c(=O)onc(n1)N,0.1474
CC1(COC(=N)O1)C#C,0.2716
CC1(CC2(O)CC12)C=O,0.2256
OC1C2C3CN2C3C1O,0.3059
O=CC1C2OCC(=O)C12,0.2057
CC1CC2OCC12,0.3165
CC1(O)CCC(=O)C=C1,0.1825
C(CC(=O)N)CO,0.2796
CC(C)OCC1CCC1,0.3321
N=C1NC(=N)C(O1)C#C,0.2497
C#CCc1[nH]ncn1,0.2712
CC1(C)C2CC(=O)CN12,0.2017
CC1CC11NC(=O)C=C1,0.2033
CC1(NC11COC1)C=O,0.2077
c1c(=O)cn[nH]c1N,0.1869
OCC1CC(CO1)C=O,0.2246
C1NC1C1=CNC=C1,0.2461
C#CCOC=NCCO,0.2544
OCC12OCC1N1CC21,0.2768
CC(C)OC(=O)CC#N,0.2863
CC1(C)CC2COC1C2,0.3141
CN(C=N)c1ccoc1,0.2139
C1NC11C2C3C4C3N2C14,0.291
O=C1C=CC2C3CC12N3,0.1734
CC1C(O)C1NCC#N,0.2564
C1CCC(C1)CCC#N,0.3497
CC1COC1C(N)=O,0.2624
CC1(C=O)C2CCC12,0.2321
CC(=O)CC(O)CC#N,0.2317
COC1C2COC2C1=O,0.1813
OC12CC=CC1NC2=N,0.2417
O=CNCC1OC1C#C,0.2651
CCOC(=N)C(O)C#C,0.2796
C#CCc1ccc(o1)N,0.2151
O=C1CNC1C#CC#N,0.2095
Cc1c[nH]c(c1N)CO,0.2176
CC1(C)CC1CO,0.3355
C1Cn2c(noc2=O)N1,0.2599
NC(=O)C1NCCC1=O,0.1983
N=COCC1=CNN=C1,0.2585
C1C2C=C3C=C1C1C3N21,0.0376
CC(=NO)CC1(CC1)C,0.2546
CCCC1C2OCC12C,0.3044
C#CC12CC=CC1N2,0.231
CN1C(=N)C=C(C)C1=O,0.1798
CCC(COC=N)C#N,0.2832
OCC1C2OC1C1NC21,0.3104
CCC12CCC1OC2,0.3041
CC1(O)C2C=CC(=O)C12,0.1818
NC(=[NH2+])C(O)CC([O-])=O,0.2621
Cc1c(cc(cn1)O)O,0.2032
O=C1C=CCC2NC12,0.1874
CCc1c(oc(n1)N)N,0.231
OC12CC3(C1)CCCC23,0.3324
OC12CN3CC=C(C1)C23,0.1917
CN1CC2OCC12,0.2866
CCCC(C)C(O)CO,0.3181
CC(CC#N)C(N)=O,0.274
CC1(CNC(=O)OC1)C,0.3022
CC(C)n1ncnn1,0.2653
O=C1CC23CC=CC12N3,0.2133
N#CC1C2C3N=CN1C23,0.2253
C1C2C1C13CCC21CO3,0.2823
C#Cc1cocc1N,0.198
O=C1NC2C3CC(O1)C23,0.2964
CC1C2C3CC2C13C#N,0.3171
CC12OCC=CC1C2O,0.2207
CCC1OCCOC1=N,0.2717
NC1=C(F)ON=NC1=N,0.078
C1NC11CC2CC2C=C1,0.229
C#CCOC(C#C)C#C,0.2601
N#CC1CNC=N1,0.249
OCC1(OC1C#C)C#N,0.2609
CC1(O)C2C=CC1C2O,0.2422
CC12CCOC(O1)C=C2,0.2515
OCC(O)C(O)CC=O,0.2309
C1CC(C=C1)(C=O)C=O,0.1921
CN(C)c1c[nH]cn1,0.2145
c1[nH]c(c(n1)OC=O)O,0.2133
OC(CC=O)C#CC#C,0.2083
CCCC1(C)CC(C)C1,0.3534
OC1C2C3NC3C12C=O,0.2079
OC12CN(CC1)C2C=O,0.2044
CC(=O)N(C)CCCO,0.2662
CCC1OC(=O)NC1C,0.3128
CC1C(O)CC(=O)C1=O,0.146
CC1OC1C#CCC#C,0.271
N#CC12CN1C1CC1C2,0.2692
CC1=CC2=C(ON=N2)O1,0.1365
CCC(C)(CC#C)C=O,0.2211
N=C(C#N)N1CCC1=O,0.2083
CC(CCO)N(C)C=O,0.2718
CC(=O)CC(=O)NC,0.2116
CCOC(C#N)C(N)=N,0.2515
CC1(CCC1)CO,0.3367
Cc1ccccc1,0.2407
CCCC(=O)C(O)CC,0.2382
CC1CCC=CC1CO,0.2643
OCCC12CC3C(C1)C23,0.3237
ON=C1CC2C3CC2C13,0.251
OC1C2CCC2=CC1=O,0.1864
O=C1CC2OC1OC2=O,0.2151
CC12OC3(C)C1C(O)C23,0.2967
C1COCC(=N1)OC=O,0.2259
CC12CC(C)(C1)C1NC21,0.3101
CC1NC(C=O)C1C#N,0.2088
COC12CC1N=COC2,0.2433
Cn1c(ncn1)N(C)C,0.2399
c1nc(c(c(=O)o1)N)N,0.1666
CCC1C(O)CN1C=O,0.2621
CCC1(C)CC(O1)C=O,0.2119
CCOC1C(C)C1OC,0.3011
CC1C=CCC2OC12,0.2677
CC1=CCC2(CO)OC12,0.2438
COC1CC11CC2OC12,0.3186
CC1CCC(C)(C)C1=O,0.219
CCC#CCCC=O,0.2194
N=C1OCC2C3CC1N23,0.2576
COC1C2(C)CC1(C)C2,0.3276
CC1C=CCC(=O)C1=O,0.1597
C1COCCC1OC=O,0.2729
CC1(CCC1C#C)C#N,0.286
CC(CO)C#CC1CC1,0.2831
CC(OC=N)C(=O)C=O,0.1453
CC1(CN1)C1CC2CN12,0.3009
CCC(O)(C=O)C#CC,0.2117
CCc1c(nn[nH]1)CC,0.2437
CC1CCC2(CO2)C1,0.3303
CC12CC1C1C(CO)C21,0.2804
CC(O)C(=O)NC(N)=O,0.2455
OCC1(O)C2NC1C2O,0.2937
N=C1OC(C#N)C2NC12,0.2644
COC1CC2CCC12C,0.3225
CCC1OCC(C)C=C1,0.2639
CC(CC#N)OCC#N,0.2967
c1cc(oc(=O)c1N)N,0.151
CC1CC11CNC(=O)C1,0.2738
O=C1NN=NC(=C1)C#C,0.1698
CC1(C)C2CC2OC1=O,0.2768
OCC(O)(C=O)C#C,0.2036
O=C1NC2C3NC2C13,0.236
CC(C)(C#CCO)OC,0.2782
C1COc2c1n[nH]n2,0.2202
NC1C2NC2C=C1C#N,0.1902
O=C1NN=NC=C1,0.1775
OC12CC3C4C1C4C23O,0.2948
O=C1NC2CC2OC1=O,0.2074
CC(=NO)c1cc[nH]c1,0.2001
CC1CN2CC2CCO1,0.312
CC1CN1CC(N)C#N,0.2709
OC1C2C1C1C3CN1C23,0.2968
C#CCC#CC=O,0.2048
CC1C2C(N=CN12)C#N,0.2351
OC1CNCC(C1)C#N,0.2612
c1nc2n(n1)CC(=O)C2,0.2149
c1nc(c(=O)[nH]n1)CO,0.173
N#CCC1CC2CCN12,0.2506
CN(CC(O)CO)C=O,0.2728
CC1C(C)C1CNC=O,0.2811
OC1(COC1)C1CCO1,0.312
C1C=CC2C3C4OC3C124,0.2415
CCC1=CCOCC1=O,0.1804
CC12CC1N(CC#N)C2,0.2556
OCCC1=NC2CC2O1,0.2616
OCC(O)C1OC1C=O,0.2138
OC1C2CC(=O)CC1O2,0.2263
CCC(C)(C#C)C1CO1,0.3084
Cc1cc(n(n1)C=O)N,0.1921
OC1CC(O)C2OCC12,0.3091
OC1CC(O)C1C1CN1,0.3037
c1nc(on1)CC=O,0.2229
C1C2OCC3OC13C=C2,0.2278
CC1(CCCC1)OC=O,0.2772
OC1C2OC3C(O)C2C13,0.2975
O=CC1C(C=O)C1C#N,0.21
C1C2C3C1OCCCN23,0.3078
NC1(C#N)C(O)C1CO,0.2758
OCC1C2CCC12,0.3227
c1cn(cc1N)C2CC2,0.2206
CCC1=COC(=N)N1C,0.2177
O=C1COC2OCC=C12,0.1784
CNc1cc[nH]c1,0.2278
CCC(N)C1(CN1)C#N,0.2901
C1N=COC2C3OC2C13,0.2684
CC(CO)(CO)NC=O,0.2728
CC1C(CC#N)C1C#N,0.3143
OCC1CCC(=N)O1,0.2828
N#CC12OCC3C1CC23,0.278
CC1C2OC(=N)OC12C,0.2993
C1CC2C3CCOC23C1,0.3081
OC1C2OC2C1C1CN1,0.304
NC(=O)C1CCC(=O)C1,0.223
ON=C1CC2(CN2)C1,0.2446
CC1C(CO)COC1=O,0.2773
N=C1N=CNC(=O)C=N1,0.1734
O=C(C#C)C1=NCCN1,0.146
CCN=C(C#N)N(C)C,0.192
OC12CC3CCC(C1)C23,0.3171
C1CC23CC4OC2C4C13,0.3164
COCC1(C)CN1C,0.3
Cc1c(oc(=O)n1C)N,0.2348
O=C1CC2C3NC3C2C1,0.2279
Cc1c(n[nH]n1)CO,0.2511
OC1CC1(C=O)C=O,0.2123
Cc1noc2n1ccn2,0.212
Cn1ccc(c1C#C)N,0.1863
OC1(C=O)C2OC=NC12,0.1983
OC12CC3=CCC1(O)C23,0.1818
NC1=NOC(OC=N)=N1,0.2188
COC=NCC(=N)OC,0.2606
C1CC2(CC2)CC13CC3,0.3451
C1CC11CC=CC2OC12,0.2377
C1CC2COC=NC2C1,0.2688
CC1=CCCN1C(=O)N,0.2225
CC1CCC2OCC12C,0.3166
C1CC2=CC3NC3C12,0.2373
CC1C(C)C1OCCO,0.3074
[NH3+]C1(CC2CC12)C([O-])=O,0.268
CC(=O)N(C)C(=O)C#N,0.1898
C#CC12CC1OC=N2,0.251
N=C1C=COC=NC1=N,0.1927
C#CCN=C1CCO1,0.2681
O=CCCC1(CO1)C#N,0.2289
CCC(C)OCC=O,0.2284
CC(C(O)C#C)C1CC1,0.2915
COc1cc(c[nH]1)C=O,0.1729
CCCCC12CC(C1)C2,0.3732
CCCC(C)(CO)C#C,0.306
CC(=O)C12CN1C(=O)C2,0.2119
CC(C)(CO)C(C)(C)O,0.3243
CC1(CC1CC=O)C=O,0.218
CC1OCC11CC1C#N,0.279
CC1(C=O)C2CC2C1=O,0.1986
N=COC1OCC=C1,0.2585
CC12CC3CN1C23C,0.3193
COC1COC11CC1C,0.2937
CC1C2(C)NC2C11CN1,0.2939
CC1(C=O)C2CC1C=C2,0.2109
C1C2COCC1C1OC21,0.3342
COC1CC2(CO2)C=C1,0.2514
CCC#CC(C)(N)C#N,0.2784
COC1C(=N)NC11CC1,0.2526
CC1(CCCCC1)O,0.3235
OC(CC1(O)CC1)C#N,0.2725
CN(C)Cc1cnn[nH]1,0.2398
C1C=C(C(=O)C1=O)CO,0.1411
CC(OCCCO)C=O,0.2268
O=CC1CC(=O)C1C#N,0.2131
C1C2NC2C2=CN=CN12,0.2381
CC12CCC3=CCC1C23,0.2184
C[NH2+]CC(C)(O)C([O-])=O,0.2643
CC1(C=O)N=CN2CC12,0.2149
CC1(C(=CC(=O)N1)N)C,0.2206
COC1=NCCN1C=O,0.2288
O=C1C2C3C1NC23C#N,0.2178
CC1CC11CNC1C#N,0.2607
C1CC1CNC(=O)CO,0.2765
CC1OC(=N)C11CN1C,0.2603
O=CCC1C2CCC12,0.2249
O=C1CC2NC3COC123,0.1938
CC12OC3C1NC23C#C,0.2563
CC12OC=NC11CC2C1,0.2569
COC12COC1(C)C2C,0.2936
CCC1(CC1)OCCO,0.3305
CC#Cc1cc[nH]c1,0.2192
N#CC12CC3=CCN1C23,0.1672
CC1(N)COC1=O,0.2671
c1c2c(n[nH]1)OCCC2,0.2377
C1CC1C12OC1CC=C2,0.2454
CC1C(CCC1=O)C#C,0.219
C(C(=O)N)C(F)(F)F,0.2757
C#CCCC(CO)CO,0.3107
CC(C)n1ccc(n1)O,0.241
COC1C(C#C)C1C#C,0.2614
CC1(CO)C2NC2C1O,0.3083
CCC(C=O)C(O)CO,0.2244
CN1CC(C1)C(=O)C=O,0.1253
COc1ccoc1C=O,0.1811
O=C1NC(=O)C2CC1C2,0.2332
CC1(OC(=N)C=C1)C#N,0.2174
CC12C3C4C(N13)C24C#C,0.2332
CC1C2OC1(C)C1OC21,0.3093
O=CCC1CC2CC1O2,0.2276
CC1(CCC1)C(=O)N,0.2721
CN1CC1C(=O)NC=N,0.2072
Cc1ncc(c(n1)O)O,0.2061
c1nc(on1)CC#N,0.2629
O=C1OCC1C#CC#N,0.2271
CC(O)(C#N)C1(C)CC1,0.307
C1OC2C3OC1C23,0.2921
CCNC(=O)C(=O)C=O,0.1264
CC(C)C1CC2OC12,0.3276
ON=C1CC2OCC12,0.243
OCC1COCC11CN1,0.3053
CC1CNC(=O)C(=N)O1,0.2225
N=C1OC=NC(=O)C=C1,0.1856
NC1=CC=COC1=N,0.1604
CCCC(O)COCC,0.3283
C1C(=NO)CNCC1=O,0.1945
CC(=N)OC(C)(C)C#N,0.29
CN1C2C3C4OC4C2C13,0.2839
COC1C2COC12C,0.3078
NC1=[NH+]C(=N)N=C(O)[N-]1,0.2056
N=COC1C2CC1C=C2,0.2434
CN1C2C3CC(O3)C12C,0.2873
CC1C2OCC12C#N,0.2719
C#CCC#CCC1CC1,0.2875
CC1C2OC(C)C1C2C,0.3254
CC(C)C(=O)C1CCO1,0.214
O=CCC1NC1C#C,0.2199
[NH3+]CC1(CC(=O)[N-]1)C#N,0.2723
CC12CCC(CO1)C2O,0.3133
CC1NC1(CC#N)C#N,0.2847
COCC(CO)C(C)C,0.3255
CCC1=C(C)NC(=N)O1,0.2204
Cc1cc(c([nH]1)CO)N,0.2103
C#CC1=CCCC11CN1,0.1995
CC1CC1C1CC1C=O,0.2273
Cc1c(c(ccn1)O)F,0.2364
CC1(C)CC2CC2C1=O,0.2226
C1OC23COCC2CC13,0.3013
CCN1C2CC(C2)C1=O,0.2575
CN1CCC(=N)NC1=O,0.2503
CC12CC(=O)C(O1)C2O,0.2117
Cn1cc(c(=O)nc1)N,0.1858
C1CC1N2C=NCC2=O,0.2189
CC12OC3C(CC13)C2O,0.3002
CC1C2OC3C(O)C3C12,0.304
Cn1c(c(nn1)OC)N,0.2138
Cc1ncco1,0.2453
CN1C=CC(C=O)C1=O,0.192
C#CC#Cc1c[nH]nn1,0.1912
O=CC1(NC1C#C)C#N,0.2165
CC12CC(C)(C=O)C1N2,0.2156
C1CC2CCC3C1C23,0.3379
CC1CCOC11COC1,0.3135
C1C2C1C1C=CC3C2N13,0.214
CC(C)CC1CC=CC1,0.2648
CC12NC1C(C#C)C2=O,0.209
CC(C)CCCO,0.3422
OCC1NC1C1COC1,0.3133
CC1=CCC2COC12,0.2551
N=C1NC(=O)C(O1)C#C,0.2519
CC1(CCCC(=O)N1)C,0.2695
Cc1cc(c([nH]1)C=O)O,0.1698
C1CC23OC4CC12NC34,0.2898
CC1OC11C2OC1C2O,0.3078
OC1CC(=O)C2CC12,0.227
COC1CC(=O)C1C#C,0.2144
CCC1OC1(CC)C#C,0.2853
CC1COC2(CC12)C#N,0.2696
CC1C2CCC2=CC1=O,0.1928
COC12CC3C(C13)C2O,0.2866
CC1(O)C2C3CC1N23,0.31
c1cn[nH]c(=O)c(=O)n1,0.1639
CC1(C)CC(=O)N2CC12,0.24
OC12CCC11CC(C2)O1,0.3081
CC1OC1C#CC(C)=O,0.2044
N#CC1C2NCCNC12,0.2545
OC(CC#N)C#CC=O,0.2026
C1CC2(C1)C3(O2)COC3,0.3166
CC#CC(=O)C1CCO1,0.1937
CC12NC1CC1OC21,0.3072
OC1CC1(C#C)N1CC1,0.2739
CC(=O)C1CC11CCC1,0.2309
C1C2CC11C3NC3CN21,0.2797
O=CC12C3CC4C1N4C23,0.2148
CC1C(O)C2NC2C1=O,0.2141
CC(C)C1C2CCOC12,0.3147
CC1CNC(=O)CO1,0.264
C1CC(=O)OCOC1=O,0.2626
OC1CCC11CC(=O)N1,0.2855
c1cc-2cnonc2c1,0.1396
N#CC1C2C3OCC1C23,0.2673
CC(=O)C1=CN2CC2C1,0.1839
Cc1cc[nH]c(=O)c1C,0.175
CC12CC(C1O)C2C=O,0.217
NC1=NOC(=C1)C1CN1,0.2223
CC12CCNC1C(=O)O2,0.2461
C1C2CC3CCC3OC12,0.2873
CCC(C)CC(=O)CO,0.2402
CC1C=C(C)C(=O)N1C,0.2161
Cc1cc(on1)C#C,0.2054
CC1C2C3COC1CN23,0.3023
CNC1(C)CC1(N)C#N,0.2559
OC1CC2(CC2)C11CN1,0.309
CCCC1(CC1O)C#C,0.2895
OCC(CCC=O)C#N,0.2272
CC1OC2C=CC1C=C2,0.2205
O=CC12CC(C1)(O2)C#C,0.209
OC(C1CC1)C(=O)C=O,0.1564
CC1OC2CCC2C1=O,0.2136
OCC1(CC(O)C1)C=O,0.2219
CC12C3OC(OC13)C2=O,0.1996
CC1OC2(C)C(O)C12C,0.3031
Cc1c(nc([nH]1)C#C)O,0.1781
O=C1NC2C3CC=C1C23,0.1863
OC1COC2CC2(O)C1,0.2875
C#CC1(CC2CN12)C#N,0.2479
CC1NC(C2CO2)C1=O,0.2179
CCC(C)C1CCCC1,0.3762
OC1C2COCOCC12,0.3108
CCc1cnoc1C=O,0.1895
OC1CC2C3CC12OC3,0.2887
CC1=CC2OC3C2C13O,0.2205
O=C1C2OC2C1CC#N,0.2137
c1c2c(c(o1)N)OCC2,0.22
c1c(c2c([nH]1)cn[nH]2)N,0.1991
CC1(C)CC(O)C1(C)C,0.3158
c1c(oc(=O)o1)OC=O,0.226
CCOC(=O)C(C)(C)O,0.2644
CC1C2C3COC1C23O,0.2972
CC1OCC1C(O)CO,0.3013
c1c(=O)nnn(n1)C=O,0.147
C(CO)N=COCCO,0.2568
O=C1C2C3CN4C(C23)C14,0.2116
CC1OC2OCC1C=C2,0.2429
CCC(O)C(CO)OC,0.3201
COCC1C2COC12C,0.3134
N=C1CNC(=O)OCO1,0.263
CN=CNC(=N)C(=O)N,0.1924
CCC1C2CN2C1CO,0.3059
CC(=O)C1COC(=N)O1,0.2177
CC12CC(C)(COC1)O2,0.3205
CC1CC2CC2(O)C1,0.3126
CC12CC3=NCC1(C)N23,0.1945
N=C1OC2(CC#N)CC12,0.281
C1C2C3CC=CCC1C23,0.2658
CC1C2C(C3CN23)C1=O,0.1993
CCC1CN1C(=O)C#N,0.2169
CC(O)C1OC2C(C)C12,0.3016
CC1(CO)COC=N1,0.2631
OCC1CC(O)C(=O)O1,0.2729
C1CN1c2c(n[nH]n2)N,0.2117
OCCOCC(O)CO,0.3247
OCC1OC(=N)C2NC12,0.2584
CC(CCO)C1OC1C,0.3337
CN1C2C3COC2(C)C13,0.301
CC1CN2CCOC2=N1,0.2724
Cc1ccc(c(c1)F)F,0.2256
CC1(CN(C1)C=O)C,0.2673
CC1C2C(=O)NC12CO,0.2521
O=CC1=CNC2CC1C2,0.1794
CC1(C)CC(CC#N)O1,0.2915
C[NH2+]CCC(C)C([O-])=O,0.2743
CC(O)C#CC1CC1O,0.2702
FC1=CC=COC1=N,0.169
CC1=CC2C3OC2C13C,0.2233
CC1=C(O)NC(=N)O1,0.2279
CN1CCC2OC(=O)C12,0.2346
CN=C1NN=C(F)C=C1,0.1497
Cc1c(cn[nH]1)CCO,0.2516
CCCC12C3C4C3C1C24,0.3026
Cc1c(ncoc1=O)F,0.1932
CN=C1CC(N)C(=O)O1,0.2424
CC#CCCNCC#N,0.2695
COCC(C=O)C(N)=O,0.2125
O=C1C2NC1C1NC21,0.2366
N#CC1CC2COC12,0.2859
CC1=NC=C(N1)OC=N,0.2187
CC1NC11CC2OCC12,0.3088
COC1C2CN=COC12,0.278
CC(O)C1=CN=NN1,0.2537
CC[NH2+]C(C#C)C([O-])=O,0.2661
CC1C2C=CC1(C)C2=O,0.244
CN1C2CC1(CO)C2=O,0.2475
OC1C2CC(C12)N1CC1,0.3051
C1CC23CC(OCO2)C13,0.3031
CC(NC(=N)CO)C#N,0.2625
CCn1c(cc(n1)N)N,0.2356
CN(CCO)C1COC1,0.2922
CC12NC1C1(CO)NC21,0.265
CCC1OC1CCOC,0.3457
COC1COCC1(C)O,0.311
CC1CC1C(C#N)C#N,0.303
CC1CN(C=N1)C(C)=O,0.2219
COC1C2C3C1CN23,0.3137
CCC1(C)COC1C#C,0.2701
N#CC12CC(C1)C1OC21,0.2947
COCC1(C)NC1C#N,0.2801
CC1(C)CC2C(O)C12,0.3199
CC1(CCC1)OC=NC,0.2706
CC(C)CC1COC1=O,0.2803
C1CC1(CCO)O,0.3023
CCc1c(oc(n1)N)C,0.23
CN(C)C1C2NC2C1=O,0.1759
COC1C2NC2C1C#C,0.2754
CCC12C3CC3N1C2C,0.2791
CCCC(=O)C1CC1,0.2341
OC12C3CC1N3CC2=O,0.2049
Cn1ccnc1N(=O)=O,0.1755
CC1N2CCC12CCO,0.302
COc1nccc(n1)F,0.2208
C1C2N1CC21CCOC1,0.3022
c1c(c[nH]c(=O)c1F)N,0.1592
CC1NC11CN(C)C1,0.2883
c1c(nn[nH]1)C=O,0.2037
C1C(COCO1)CCO,0.3311
OCC1OCC=C1,0.2445
N=COC12CC3C1NC23,0.2621
CC1CC11OCC1CO,0.2899
CCC1CC(=O)C(=N)O1,0.1894
CC(O)C1=C(O)NN=C1,0.2497
CC12C3C1C1(C#C)C2N31,0.2307
C#CC1CC11COC1,0.2827
CCCCN=COC,0.2697
CC(C)C1C2NC(=O)C12,0.2525
CCC1CC=CCC1=O,0.2236
CC1OCC2CC=CC12,0.2632
CC1OC1(C)C,0.3468
CC12C3C4C(CN14)C23O,0.2798
CC1=NOC(=N)NC1=N,0.1933
CC1CN=C(N1)C1CO1,0.2334
C1C=CCOCC=C1,0.229
CC(C)(C#N)OC=NC,0.2738
CC1C2C(C)C(O)CN12,0.2736
CC12CCC(O)(CC1)C2,0.3235
C1C2NC1C1=C2NN=N1,0.2182
CC1C2CC(O2)C1C#N,0.2966
C(C1CN1)C1=NC=CO1,0.2439
COC1CCC2OC12,0.3291
CC1CC2CCC12O,0.3183
CC(C)CC1OCC1O,0.306
CC1C(O)C11C2CN1C2,0.2908
CC1OC=NCC1(C)O,0.2653
O=C1CC2C3OCC3N12,0.2375
CC12CC3(C#N)C(O1)C23,0.2688
CC(C)(C#N)N=COC,0.2666
N=C1OC2CCCC1O2,0.2859
O=C1CC2(CN12)C#C,0.2309
CC12CC(O1)C2C#N,0.2776
COCCC(C)(O)C#C,0.2875
C#CCCC12CC(C1)C2,0.3162
CC1C2OC1C2C#C,0.2773
OC1CC23OC4C2C1C34,0.2957
CCOC(C#C)C(C)O,0.2959
O=C1C2CNC(=O)C1O2,0.2091
CC1(NC1CO)C1CO1,0.3261
CCC12CC3(O)C1NC23,0.2941
Cc1cc(ccc1N)N,0.1844
COc1nc(=O)[nH]nn1,0.1739
NC1C2OC(=O)C12N,0.2338
CC12CC(C1O2)C(N)=O,0.2676
C1C(=O)C(=O)CC12CN2,0.1448
CN1C2C3C4CC4C2C13,0.3044
CC1=CC2CC1C2O,0.2422
Cn1cnn(c1=O)C=O,0.21
NC1C2NC(=NC12)C#C,0.1918
CC12NC1C1(CO1)C2=O,0.201
FC1=C(F)C(=N)C=CN1,0.188
Cc1nc(cc(n1)F)N,0.2259
OC1CC2C3C4C1C2N34,0.306
CC1=CC(C)(NC1)C#N,0.2365
CCC(=O)CC#N,0.2373
c1c(ncnc1O)C=O,0.1789
C1NC11C2C3COC2C13,0.3215
CC1C(O)C1(O)CCO,0.2874
OCC1OC2CCCC12,0.3166
OCC1N2CC2C1=NO,0.2329
CNC(C)C1=NOC=N1,0.199
CCC(OC1CC1)C=O,0.2135
C#CC1(CC1)C(=O)C#N,0.1801
CCc1c(=O)cnon1,0.1672
OC(C=O)C1C2CCC12,0.2212
C1Oc2c([nH]nc2O1)N,0.2272
CN1C2COC(C2)C1=O,0.2518
CC(O)C1(C)CCCO1,0.3218
OC12COCC1OC2=N,0.2718
CNC1=[NH+]C(=N)C=N[N-]1,0.1765
C#Cc1cc(c(o1)N)O,0.1721
CC1=CC(O)CNC1=O,0.2106
CC1(CO)C2OC2C1=O,0.2108
CNc1ncnc(n1)N,0.2207
CC1(O)CCOC(=N)C1,0.2777
CC(=O)Cc1ccno1,0.2107
COC1CC2COC12C,0.2908
CC1C=CCCC2OC12,0.2644
c1cc(n(c1)C=O)N,0.1763
CC1COCC(O)C1=O,0.23
O=CC1C2CN1C21CC1,0.2084
OCC1CC2CC2C1,0.3366
O=C1NC2C3CC(N1)C23,0.2907
OC1CC23CC4C2C1N34,0.2959
CC(=O)OC=NC,0.2435
CNC(=N)NC(=O)C#C,0.1688
CC(C)C1N(C)CC1=O,0.2066
CCCC1CC1,0.3661
CC(C)(C#CCO)O,0.2893
CN(C)c1ccoc1O,0.2301
C1C2C3C4CCCC13C24,0.355
CC12C3C4C1OC4C23C,0.3245
OC(C#N)C#CC=O,0.2016
COCC12CCC1C2C,0.3264
OCC1=COC(=N)N1,0.2211
CC(CO)CC1CCC1,0.3395
CC(=O)NC(=NC)C=O,0.1817
C1C2C3CC3C3(CO3)C12,0.3085
O=C1C=CCNC1C#C,0.1765
OCCC12CC3C(O1)C23,0.305
O=C1CN2C3CCC2C13,0.2088
CC1C2OC1C1CC2C1,0.3126
CC(C)n1c(=O)[nH]cn1,0.2343
CC12C3C4C(N14)C23C#N,0.2389
CC(O)C12CC1CC2C,0.315
[NH3+]C1(CCC1)C([O-])=O,0.2692
CC1N2CC2C1(C)O,0.2912
CN=COC(CO)C=O,0.2107
CC1=C2COCC2CC1,0.2463
CC12CCC3NC3C1O2,0.3073
C1CC1CCC#CCO,0.2772
c1c(cnc(n1)O)C#N,0.207
CN1CC=CNC1=O,0.223
C1C2NC3CN=COC123,0.2344
CN(C=NCC#C)C=O,0.2355
CCC1=CNCC1=NO,0.1772
Cc1c(non1)CO,0.2505
CCC1=CCC2OC2C1,0.2615
CC1OCC2COC1C2,0.3139
CCCC1COCCO1,0.3243
O=C1OCCC11CN1,0.264
CC(C)(CC1CC1)O,0.3228
CC12CCCC(=O)C1N2,0.2209
CCC1C2CC(C#N)N12,0.2589
CC12OC3C1C1(CN1)C23,0.3051
CC(CC=O)NC=O,0.2288
CC(C)CC1CC(=O)O1,0.2858
OCC1OC(=O)C11CN1,0.2555
CCc1nc(on1)N,0.251
Cc1c(ocn1)CC#C,0.239
CC1C2OC1C2(O)CO,0.2915
CCC(C)C(CO)C#N,0.3093
c1(=O)c(=O)onc(o1)N,0.1777
C#Cc1c(c[nH]n1)N,0.1987
CC12C(O)C1C1C(O)C21,0.2701
Cc1cn[nH]c1C2CC2,0.2367
N#CCC12CC3CC1C23,0.2973
CC(=O)C#CC(O)C=O,0.1971
c1c2c(ncn1)CCC2,0.2102
CC1(CN2CC12)NC=O,0.2599
CC(=O)C1CC(C1)=NO,0.2249
CC12C(O)C3(O)C1CC23,0.3097
OC1C2CCCC2C1=O,0.2182
COC12CC(C1)C21CO1,0.3457
OC1(CC1C#N)C=O,0.2146
CCC1CN=C(CO)O1,0.2752
CC1(CN1)C1=NOC=C1,0.2451
OC1CCCC2OC2C1,0.3306
N=C1CC2C(O1)C2C#N,0.2703
OC1CN2CC2C=C1,0.2277
CC1CC11OC(=O)C1N,0.248
C1C2CC3N=COCC123,0.27
COC=NC(C)CC=O,0.2211
C1CC1C1C2CCOC12,0.3137
CC12CC(O)CCC1N2,0.3017
OC1C23CC=CC12CO3,0.2163
CC12NC3C1OC23C#C,0.243
O=C1C=CC2OC12C#N,0.1748
CN1C(CO)C1(C)C,0.2882
CC1(C#N)C(N)C1C#C,0.2481
O=CC1CCC2CN1C2,0.1989
C(Cn1nnnn1)CO,0.2446
CC1OC2(CO)CC12,0.3016
CCC(C)COC(C)=O,0.2848
CN1C2C3CC3C12CO,0.2709
FC1=CC(=N)NN=C1F,0.1591
OCC#CC1CC(=O)N1,0.2657
O=C1C2C3NC1C23C#C,0.2186
CC12OC3C1C2C3C#C,0.2783
CCC12CC(O1)C21CO1,0.3258
OCC1CC(C=O)C1O,0.2151
CC1OC(C#C)C(=N)O1,0.2754
CC1C2CC3CC1C23O,0.3053
C1C(=O)COC(=N1)C#N,0.202
CCC1OCC(C)=C1,0.2489
CC1OC2(C)C1CC2=O,0.202
CCC12NC1CN1CC21,0.2915
NC1(CC1C#N)C#C,0.2716
CCCC(C)CCC,0.3796
C1C2N1C1(CC1)C21CC1,0.3074
O=C1OC2C1NCC2=O,0.1935
OCC1=CCC(C1)C=O,0.2198
OC12CC1OC(=N)C=C2,0.1967
O=CC12NC1C1NC21,0.1897
C1C2CC11CCOCC21,0.3344
CC(C=O)C1=CCCC1,0.2049
CC1CNC(=O)C1C#C,0.2581
O=C1CC2CN2C(=O)N1,0.2389
N=CN1CC1(C#C)C#N,0.2388
OCC1OCOCC1O,0.3291
CC1=C(F)OC=NC1=N,0.2001
COCCC(C)NC=O,0.279
CC1C2CC2(C=O)C1O,0.2203
OC1C2C3CC1(C#C)C23,0.2751
OCCC1OC2CC12,0.315
CC1CC1OC(=O)C#N,0.2232
CC1(C)C(CO)OC1=N,0.2885
CC1C2C3CCC3C12O,0.3041
CC1CC(O)C1OC=O,0.2691
C1C2C3C2C2C4C1C4C32,0.3069
CCCCC(C)C1CC1,0.3606
N#CCC1CO1,0.3149
CC12OCC1C1OC21,0.3002
CC1C2C3CN3CC12O,0.2905
COC(C)(C=O)C1CO1,0.2087
NC(=O)C1C2CC1(O)C2,0.2715
CCn1ccc(n1)C=O,0.2001
Cc1c(c(on1)C#N)N,0.1849
CC1(N)C(=O)OC11CC1,0.2511
CCCC1=NCC(=N)N1,0.2307
C1COC(O1)CC(=O)N,0.2734
C1C2CC1N=CO2,0.2649
C1OC2OCC1C=C2,0.2443
[O-]C(=O)CC1CCC[NH2+]1,0.2762
CN=C1CNC(=O)N1C,0.2411
C#CC1C2OCC3C2N13,0.2591
c1c(oc(=O)c(n1)O)F,0.1664
CCC(=O)NC1COC1,0.2746
N#CC1OC2CC2O1,0.273
COC12C3C4N3C1C24C,0.2731
CC1C2C(O)C1C2=O,0.241
CCOC1(C)OCC=C1,0.2625
CCN=CN(C)C(=O)C,0.2282
CC1CC(NC=O)C1=O,0.2191
c1c(n[nH]c1NC=O)N,0.1946
CCOC1(C)C2COC12,0.2981
ON=C1C=CCC2NC12,0.1911
CC1(CCCOCC1)C,0.3152
O=C1CN2C3CC(C3)C12,0.203
OC12C3C1C1N=C2OC31,0.1775
C1C2OCCCC=CC12,0.2367
OCC1COC(=N)C1=O,0.1866
CC12CC(O)(C1)C21CO1,0.3257
CC1OC(=O)NCC1O,0.2958
OCC1CCC=CC1O,0.2579
OC(C=O)C1CC(=N)O1,0.221
CC#CCC12CC1CC2,0.2961
COC(C)C1(C)CC1O,0.2934
CC(O)C(C)(C)C1CC1,0.3319
CN1CCOC2C(O)C12,0.2814
c1cncncc1=O,0.1579
CC#CC1CC2CC12,0.2942
OC1COC2CC12,0.3056
CC1CC1(N)C#N,0.281
CCCC1(C)CN2CC12,0.3082
c1nc([nH]n1)NC=N,0.218
C#CC(=O)c1ccn[nH]1,0.1815
C1CC(=O)NC(=O)C1,0.2349
CC(C)C(C)(C=O)C#N,0.2215
OC1CN2CC1(C2)C=O,0.2024
CC1(CC(=O)C=O)CN1,0.1607
C#CCOc1c[nH]nc1,0.2327
CC(=NO)C1COC1,0.2507
CC1OC1C12CN(C1)C2,0.3106
OC12CCC3C(C=C1)C23,0.2416
CC1(O)C2C3OC3C12,0.2815
O=C1OCC2OC1C=C2,0.2196
c1cc(=O)[nH]c(c1O)N,0.166
O=C1OC2(CC1C2)C#C,0.2756
OCC1=CC=NNC1=N,0.1634
CC(C)C1=CC(=O)CC1,0.1939
O=CCC1CC1CC#N,0.2263
CC(O)C12OC1C1OC21,0.2931
c1c(nnn1CCO)O,0.2244
CC1OCC2NC12C#N,0.2709
CC(C)(C#C)C1CCO1,0.2979
C1CC1C(=O)CCC#N,0.2351
CCC12CN1CC2OC,0.2991
CC(=O)C1CC2OC2C1,0.2353
C1CC1C2=CCC(=O)C2,0.2162
CN1CC(O)C1C1CO1,0.2928
OC1C2CC2CC1C#N,0.301
CC(O)C1(N)COC1=N,0.266
OCC1(CO)CC1C#N,0.2853
CC12CCC(O1)C2C#N,0.2937
CC12OC3(C=O)C1OC23,0.2009
CCC1(O)CC(C)(O)C1,0.3149
O=C1CC2CC3C2C13,0.2228
O=COC12CC(C1)OC2,0.2583
CC(=O)OC1CCC1O,0.2702
CC1CC2CC(C#C)C12,0.2952
COC12CC1(C)CC=C2,0.2452
N=COCC1CN1,0.2756
CNC(=O)C1CNC1=O,0.2602
CC12CC1(O)C(O2)C#N,0.2506
N#CCC1C2CN1C2,0.2761
OC12CC(C1)CC1OC21,0.3294
CC(C#N)C(O)C1CO1,0.3201
CCN=COC(=O)C=O,0.1674
CC1C=CC2=CCCC12,0.1933
CC1CCOC1OC=O,0.278
CN(CC1CN1)C(N)=O,0.29
Cc1ncc(n1C)OC,0.237
CN1CC2(C)C(C=O)C12,0.1988
O=CC1NC11CC2NC12,0.2181
c1coc(c(c1=O)F)N,0.1931
CC(O)(CN)C#N,0.2957
NC(=[NH2+])OC1=NC=N[N-]1,0.2542
O=C1CC2C3CC12C=C3,0.2082
CC(=O)C(C(=O)C)OC,0.2104
CCC1NC1C(=O)C#N,0.189
OC1(CC1)C1CN2CC12,0.2854
CC1OC(=O)OCC1=O,0.2153
CC1=CCC(O)C2OC12,0.2382
CNc1c(n[nH]n1)C=O,0.1719
OC1C2CCOC=NC12,0.2467
NC1(C#N)C2C3CC1N23,0.2751
O=CC1CC2CC1CO2,0.2168
C1CC1OC=NCC=O,0.2207
CN1CC2(O)C1C2(C)O,0.2548
CC(=O)CCNCC#N,0.2285
CCC(C)(C=O)C1CO1,0.2236
CC1CC1C(O)CO,0.3164
NC1=CC(=N)N=NN1,0.1622
CC(C1CCO1)C(N)=O,0.2634
c1cc(n(c1)CC=O)O,0.1594
O=CC1(CN1)C#CC#C,0.1957
CCC1(C)OCC11CO1,0.3252
CN(C=N)C(=O)CC#N,0.2352
CCCC1(CO)CN1,0.3117
N=C1NC(=CCO1)C#C,0.1837
Cc1c(oc(=O)[nH]1)CO,0.2289
CC1CCC(O)CC1,0.3179
CC1=CC(=NC)OC1=O,0.1896
CC1C[NH2+]C1CC([O-])=O,0.275
COC1CCC2(CO2)C1,0.3213
CC1N=C2NCC2C1=O,0.2071
O=CN(CC1CN1)C=O,0.2149
COCC(=O)C(C)OC,0.2293
OCC(=O)C1(CO1)C=O,0.2081
COC(=O)C(C)N,0.2491
CC1=CC2C3C=CC2C13,0.194
CC#CC1CC1CCO,0.2824
CN1C2CC1(C#N)C2N,0.2356
CCC#CC(N)CC#N,0.2713
CC(=O)CN1CCC1=O,0.2152
C1C2COC3C=CCC123,0.2601
C1C2CCN=COCC12,0.2648
Cn1cc2c(n1)OCO2,0.2188
Cn1ncc(n1)C2CC2,0.2377
CC(=O)Oc1cnco1,0.231
C#CC1C2NC2C11CO1,0.2808
C1C2CC3CCCC13O2,0.3175
COC1CC=C(C1)C=O,0.1943
C1COCC(=O)N1,0.2644
N=C1OC2CC3C1N3C2,0.2545
CCC12CC1(C)CC2,0.3217
N=COCCC1CCO1,0.2797
CCCC(C)CCC#C,0.3158
c1c2n(c(n1)C#N)CC2,0.2088
O=C1C2CN2C1CC#C,0.2172
C1C(=O)N(C=N1)C=O,0.2213
CC1(O)C2COCC12,0.3206
CCC12CCC1(C)OC2,0.3059
OCC1OC(CO)C=C1,0.2413
c1cn(nn1)CC#N,0.2539
CC#CCC(=O)C=O,0.1481
CCN1C2CCOCC12,0.3016
CCC1CC1(C)C,0.3443
OCC1OC=NCC1=O,0.2022
CC(C)(C)c1c[nH]cn1,0.2528
CC1C2C3(C)NC3C12C,0.2772
CC12CC1OCC2(C)C,0.2983
NC(CC#C)C(O)C#N,0.2901
O=C1OC2CC3C2N13,0.2837
OC(CC(F)(F)F)C#N,0.3176
NC1=CNC=C(O)C1=N,0.1676
CC12CN3CC3CC1N2,0.2987
C(C=O)C(=O)NCC=O,0.2159
O=C1OC2CNC12C#C,0.2323
CC1=C2C3OC3C2OC1,0.2256
CC1C(N)C1(CO)C#N,0.2645
CC(CO)OC(C)CO,0.3167
CCC1CC2OC12C#C,0.2625
COC1(C)C(O)C1(C)O,0.2961
CCc1c(ocn1)NC,0.2148
CC(O)CC12CN(C1)C2,0.2846
CC1CN=C(CC#N)O1,0.2619
CCC1(CN1)C(=O)CO,0.2268
Cc1ncc(cn1)N,0.19
NC(CO)C1=NC=CO1,0.2409
N=C1OCOCC2OC12,0.2603
NC1(CC(C1)C#C)C#N,0.2779
COC1CC2CCC2=C1,0.2486
CN=C1C=C(CO1)C#C,0.1759
O=C1COCC2NC2C1,0.2108
OCCC1C2OCOC12,0.3271
CC1=CC(=NO)C(=O)N1,0.1466
c1cc(c(cc1N)F)F,0.2005
C1OC2OCC=CC2=C1,0.1997
CC12NC3C(NC13)C2O,0.2856
OC1C2COC1C2C=O,0.2129
CC1(NC1C=O)C1CO1,0.2192
CC1=C(C)C(O)CC1O,0.254
NC(=O)C1CC(=N)O1,0.2665
CC1CCCC(=C1)C#C,0.2112
CC1(C)CCC2OC12,0.338
CN=C1CCC=CCO1,0.2394
NC(=[NH2+])[C-](C#N)C#N,0.201
CCC1(O)CCOC1=N,0.2862
CC1(C)CC2C(O)C2O1,0.3014
CC1OCCO1,0.3439
CNc1cc(co1)C#N,0.1863
O=C1CC23CC2(CN3)O1,0.2247
c1c[nH]c(=O)c(c1F)F,0.1841
CCN1C(CC1=O)C#C,0.2717
C1NC1C1=CC2NC2C1,0.2318
COC1CC(C)N2CC12,0.3109
Cc1cc(oc1C=O)N,0.169
O=CC1=CCC2OC12,0.1891
C1C2OCC3COC12C3,0.3068
c1[nH]c(c(n1)N)CO,0.2136
CCC(C=O)N(C)C=O,0.2054
C1CC11OC2CC1CO2,0.3192
CNC(C#N)C(=O)C#C,0.1673
Cn1ccc(c1)N2CC2,0.2276
OCC12CC1C1CC21O,0.2641
NC(=[NH2+])NCCC([O-])=O,0.2577
CC12NC1C1OC1C2O,0.2986
Cc1cccn1C(=O)N,0.2026
N=C1NC(=O)CNC=C1,0.1855
CC(=O)C(=O)C#CC#N,0.1411
CN1CC(=O)C2(CO2)C1,0.1777
N=C1N=CC(=O)NN=N1,0.1689
C1C2C1C1OC2C2CC12,0.3417
CC1C2C3OC3C2C1=O,0.2143
CC1OCC1(C)C,0.3176
CC1(CN1)C1(O)CC1O,0.2965
CN1CC2NC(=O)C=C12,0.2064
COC(=O)C(=O)N,0.2059
CN(C(=N)N)C(=O)OC,0.2463
CC12CC(=O)C1(O2)C#N,0.2147
CCC1(O)CC(C)C=C1,0.2588
OC1CCC1OC1CC1,0.3147
CN(C)c1cnn[nH]1,0.2247
C1CC23C4CC2(C4)OC13,0.2968
N#CCC12CC1C1NC21,0.2525
C1CN1C12C3C4C3C1C24,0.3004
CC12COC1C2(O)CO,0.2943
CCC12CN1C(C2)C=O,0.2158
COC(=O)COCC#C,0.2754
CC1(CCCC1)OC,0.3244
NC1=CC=C(N1)C1CN1,0.2263
CC1CC(C=O)C1(C)C,0.2182
C#CC1(OC1C#N)C#N,0.2468
C1CCC(C1)C(=O)CO,0.239
O=C1CC2CCC1CC2,0.2216
OC1CC(=N)OC(=O)C1,0.2521
[O-]C1=CC(NC=[NH2+])=CO1,0.0709
CN(C=N)c1cc[nH]n1,0.21
CC1C2CC1C(=O)CN2,0.2072
CC1C2NC2C1C(N)=O,0.2633
CC1(OC2CC1C2)C#N,0.287
N1=CC2=C(N3CC2C3)N1,0.2395
CC1CN2N=NC(C)=C12,0.2501
N#CC12OC1CC21CC1,0.2699
C1OC23C4C5C2CC13N45,0.2473
CC1OC1C1=NOC=C1,0.2441
O=C1CCC11C2CCC12,0.2087
OC12C3C1C1C3C2C1=O,0.2146
CC1CN(C=O)C1CO,0.2656
CC1CC2(O)C3CC2C13,0.3294
CC12NC1C1C(C=O)C21,0.227
CC(=O)C(=O)NC(=O)N,0.1693
OC1CCOCC1=O,0.2122
Cc1cnoc1C(C)C,0.2391
CC1C2CC2C1C,0.3364
C#CCn1c(=O)onn1,0.2314
c1coc2c1ocn2,0.2014
CC(C)(CCCO)C#N,0.317
CC1CC1C1=NOC=C1,0.2464
CN=C1NCC1(N)C#N,0.2399
C1OC2C3NC22C1OC32,0.1985
COC12CN3C1C2C3=O,0.2389
CC12C3NC3C3C1OC23,0.3096
OC1CCC2(O)COC12,0.2976
CC12CC(NC=O)C1N2,0.275
[NH3+]CCC1(CN1)C([O-])=O,0.2642
N=C1N=COC=C1C#N,0.1903
Cc1cnnnn1,0.1686
C#Cc1c(nno1)C=O,0.177
COCc1c[nH]nc1,0.2603
CCCC(CC)CCC,0.384
CC(C1CN1)C(=O)C#C,0.1823
CC1C(C)C2=CN=NN12,0.2602
CC1C=C(CC1=O)C#N,0.2066
c1c([nH]c(=O)[nH]1)CC=O,0.1646
NC(=O)C1=CC2OC2C1,0.2074
C1C2CC34CC(O3)C4C12,0.3118
CC#CC(=O)CCO,0.2092
NC1=NC2CC2O1,0.2715
OC12CC1CCCCC2,0.3245
CC1=NNC(F)=CC1=N,0.1842
O=CC1COC(C1)C#C,0.2279
N=C1NC(CC#C)=NO1,0.2311
c1(c([nH]nc1O)N)N,0.2442
c1c2c(on1)CNC2,0.223
CCC(=O)NCC#C,0.2718
C1C=C2C3C4C3C2C14,0.1625
CC1=CC2CC11OCC21,0.232
CNC(=O)CC(C)OC,0.2754
CCCC1CC(=N)O1,0.2899
CCC(C)(O)CO,0.3155
c1cc(ncc1O)O,0.188
COCC1CC(C1)=NO,0.2488
CCC12NC1(C)CC2=O,0.2203
COCCc1cocn1,0.2459
CCc1c(c[nH]n1)N,0.2259
CCC1OC11COC1=N,0.2719
CCC1(CO1)C(C)C=O,0.2197
C1OCC11C2C3C1CN23,0.316
CC1(C)C2C3C1CN23,0.3159
CC1(C)C2N1CC2=NO,0.2278
c1c(oc(n1)N)C(=O)N,0.1972
CC12NC(=O)C1(N)C2O,0.2376
OC1C2NCC(=N)OC12,0.2508
CC1CC11C(O)C2CN12,0.2963
CC12CC1C(=N)O2,0.2797
O=C1C2CC2OC11CC1,0.2122
CCC(C#N)C(=O)OC,0.2804
CCN(C)C(=O)C1CO1,0.2504
OC(C=O)C1CC(O)C1,0.2187
CC1C2CC2C11CCO1,0.3094
NC(=[NH2+])C1=CNC=C1[O-],0.1848
CC1OCC11CC(=O)N1,0.2811
CC12CC3OCCN1C23,0.3055
CC1CC(C2CO2)C1C,0.3403
CC1=CC2OC3CC2C13,0.2461
OCC12CC=CCC1O2,0.2696
CC12COC3C1N2C3=O,0.2261
COC1C(C)C1(O)CO,0.3021
OC1CC1(O)CCC=O,0.227
CC12CCC(O1)C2=O,0.2333
CC(O)C1COC1(C)C,0.3056
COC12CC1C(C)C2,0.3324
CC1NC1CN1CC1,0.3082
N=COCC1(CN1)C=O,0.2235
OC(C=O)C1CN2CC12,0.1981
OC1CC2=CON=C2C1,0.2399
CCCOC1CCCC1,0.3263
CC12OCC1C2(O)CO,0.2959
c1c(non1)NC=N,0.2072
CC1COC11C2CCC12,0.2909
OCC1CC1N1CC1,0.3148
O=CC12CC(C1)(N2)C#N,0.2149
CC1C2C1C1OC2C1O,0.3334
CC12CC1C(C2)C#N,0.3028
CC1NC1COCC=O,0.2251
CC#CC1CCN=CO1,0.2694
CC12CN1C(C2)C=O,0.216
CC12CC1C(=O)CNC2,0.2014
C#CC1NC2COC12,0.2661
c1c(nn[nH]1)C2CCC2,0.2465
O=CC#CC1NC1C=O,0.1895
CN1C(=O)CC12COC2,0.2778
CC1NC11COC1C=O,0.2062
N=COC(C=O)C#C,0.207
CCOC1COCC1O,0.312
OC1=NC(=N)N=CN1,0.2006
COc1c(nc(o1)N)N,0.2151
CCOC12CC1N(C)C2,0.2958
CC(O)C1(CCO)CO1,0.3361
CC(=O)Nc1cnon1,0.2198
CC12CC3C(C=C1)N23,0.2177
CC1OC2(CC12O)C#C,0.2405
CC1(C)OC(=N)NC1=N,0.2539
N#CC12NCC1CC=C2,0.2323
O=COC1CNCC1=O,0.1921
CCC1CCC(=O)C=C1,0.1876
COCC(=O)OC1CC1,0.2772
CC1C(CO)N1C=O,0.2553
CC1(CO)C2C3CN2C13,0.2973
COC(=N)NC(=N)CN,0.2448
CC1(CC#C)C2CC1C2,0.3138
CC1(C)C(CO)C1(C)O,0.3052
NC(=O)C12CC1COC2,0.2714
CCC1(O)C2C3CC3C12,0.2754
CN=CN(C)C(=O)OC,0.2431
c1[nH]c(c(n1)C=O)N,0.1932
CC1C(=O)C2CN2C1=O,0.2064
CCC1OC2(CC12)C#N,0.256
OCC(O)C(F)(F)F,0.3313
CC1CCCC=C1C=O,0.1963
CC12C3OC(C13)C2C=O,0.2061
CC1(O)CC1C(F)(F)F,0.3374
CC(C)C1(CN1C)C=O,0.214
CC(=O)C12C3CC1CN23,0.2182
OC1C2NC1C2C#C,0.2884
CC1(O)CCCN2CC12,0.2807
COC1C2CC2OC1=O,0.2441
OCC1C2NCC(=O)C12,0.1996
COC(C#C)C#CCO,0.2717
OC1CC2NC2C1=O,0.2105
OC1CN2CC12C1CN1,0.2916
C1CCOC(OC1)C=O,0.2248
CCc1cn(cn1)CC,0.2481
OC1CC2CC3OC3C12,0.3242
CCC1C(C)N1CC#N,0.2682
CC1(C)C2CC1N=CO2,0.2577
Cc1c(nc([nH]1)C#N)C,0.1976
C1C=C(COC=N1)C#N,0.213
CC12CC1C1=NC=NN21,0.2385
CC(C=O)(C=O)C1CO1,0.2074
CCCC(=NO)C,0.256
C#Cc1c[nH]c(=O)[nH]1,0.1858
OCCC#CC(O)CO,0.279
NC1=CON=C(F)C1=N,0.158
CC(=O)CC1(CC1)O,0.2179
CCc1coc(c1C)N,0.2315
C1CCC=CC=CC1,0.2059
OC12CC3C1C(C#N)C23,0.3035
CC12OC=NC1(C)C2O,0.2498
NC(C#N)C(N)C1CC1,0.2641
CC(C)C1CC1(C)C#N,0.3153
CC1OC1(C#N)C1CN1,0.2578
O=C1CCCC1C1CO1,0.2193
CCC(CC)NC=O,0.2825
OC1CCCC(C1)C=O,0.2252
CNC(=O)C(C)(O)C=O,0.2136
CN(CC#N)C(=O)C#C,0.2268
NCC1(NC1C#N)C#N,0.2386
OC(CCC#C)C1CN1,0.2929
CCC1(O)C2OC1C2=O,0.2449
C1CC23CC=CC2(C1)N3,0.2434
CNc1c(nn[nH]1)NC,0.2195
CC12CC1NC(=O)NC2,0.2885
CC1NC1C1=CC=CN1,0.2335
COC(C)C1CN1C,0.291
CCC1(NC1(C)C)C=O,0.2228
CC1CC(CC=C1)C#N,0.2644
CC1CCCC1C=O,0.2256
CCCC1CC=CCO1,0.2675
CC1OCC1OCC#N,0.2629
N=C1OCC2=C1OC=N2,0.2064
CCC1(O)CC(C)C1=O,0.2014
CCc1c[nH]c(c1C)N,0.2442
N#CC1COCC2CN12,0.2686
c1c(=O)ncn(n1)C=O,0.1716
CC1(CC(=O)NC=N1)C,0.2339
CN=C(C=O)N1CC1,0.1638
CC(O)CN1N=CC=N1,0.2469
CC1(O)CNC(=O)C1=O,0.1668
NC1=NC=NC(=O)C=N1,0.1647
CCc1c(cno1)C=O,0.2061
CC1C2C3CC3C1C2O,0.3196
CC(C)OC(C#C)C#N,0.2733
Cc1c[nH]cc1C(=O)C,0.1986
C1C=CC2CC=CC1O2,0.2652
FC1=CNC(=N)C=C1F,0.158
CC12CCC1C(O2)C=O,0.2127
c1c(n(c(n1)N)C=O)N,0.1653
CC1C2(C)C3CN3C12C,0.2845
C1C(=CNC(=O)O1)C#N,0.1954
OC1COC11CN2CC12,0.2835
CCCC(CC)COC,0.3378
c1c[nH]c2c1COC2,0.2401
COC(CO)(C#C)C#N,0.2658
CC1C2C3C2C2CC3C12,0.3483
O=CCC1CC=CCO1,0.2226
CC12CC3NC1C23C#N,0.2434
N#CCC12C3CC1OC23,0.2739
COC12CC(O)C1C2O,0.2811
O=CC1OC2C3OC1C23,0.2054
[NH3+]C1C[C-]2OC(=O)C=C12,0.1782
CCC(CC)C#CCO,0.2762
CC1C(NC=O)C1(C)O,0.2615
CC(C=O)C1OC1CO,0.2254
CC(CO)(C=O)C#N,0.2209
CC(C)(C)CCC(=O)N,0.2788
CC(=O)OCCC1CO1,0.2839
CC1CC=C(C#N)C1=O,0.1835
O=C1C2CC3(CN3)C1O2,0.2243
OCC1CCCC(O)C1,0.3361
CC1NC1CC#CC#N,0.2276
OCC1(NCC1O)C#N,0.2712
OCCC1C2CCC1O2,0.3179
NC(C#N)C1CC1C#N,0.2899
CCC1OC2C(C)C2O1,0.3336
CCCCOC1CC1C,0.3303
C1CC23CC(C2)OCC13,0.324
OC1CNC2=C1OC=C2,0.2058
c1cnc(=O)n2c1CC2,0.1849
OC1C2COC1C2O,0.2955
CC(=O)C(C)(O)C1CC1,0.227
C(C=O)NC(=O)C=O,0.1729
Cc1c(cnnc1N)O,0.1953
COC1C2CN2C1C,0.3045
O=C1NC2CC2N2CC12,0.2468
C(C=O)OC(C=O)C=O,0.1989
N=COCC1=CCOC1,0.2421
C#CCC1=NCC(=O)N1,0.2351
CC1CC=CC11COC1,0.258
O=C1NC2C3C4OC13C24,0.2489
CC1C2N1CCC21CO1,0.3113
CC1CC2CC(C)OC12,0.3206
Cn1ccnc1O,0.2485
COC1CC1(C)O,0.3153
CC12CNC1C2(O)C#N,0.2609
CCC(=O)CCOC=N,0.2354
CC1CN2CC2(C)C1=O,0.2149
O=C1OCCCC2CN12,0.2697
O=CC1OC2CC12C#N,0.2156
C1CC23NC12CCC=C3,0.2174
OC1C2OC2C1C1CC1,0.3196
CC1OC1C(CO)C#N,0.3016
CC1(OC1CCO)C#N,0.286
C#Cc1cnc(nn1)N,0.1647
O=CC12CCC3CC1C23,0.2251
CC1CN(C)C(=N)C1=O,0.1687
CC#CC1(C)CC1CO,0.2852
OCC1CC2(O)CCC12,0.3178
C#Cc1nccc(n1)F,0.2036
CCOCC(=O)C1CO1,0.2239
CC1C2C(O)CC12C#N,0.2842
CC(C)C1C2CCCC12,0.3306
CCN1C(C)C(=O)C1C,0.2083
CC#CC#CC(C)(C)C,0.2283
Cc1c(cncc1F)O,0.2113
CNCC[NH2+]CC([O-])=O,0.2529
NC(CO)(C#N)C1CO1,0.2842
CCC1=COC(=N)O1,0.2369
CC1(CC1)C1OC1(C)C,0.342
C1CC2(CC=CC2)O1,0.2668
CCC1CC2(CO)OC12,0.3265
CC1CN=C(CC=O)O1,0.2284
CCC1C2CC(CO)C12,0.323
C1C=Cn2c1c(nn2)N,0.1772
CCCn1ccnc1,0.2535
CC12OC3CC1C2C=C3,0.2371
c1nc(n(n1)C=O)O,0.216
OC(CN1CCC1)C#N,0.2699
OCC(O)(CC=O)C=O,0.2046
O=C1C2C3C2N2CC1C32,0.2146
CC1=CC2N3C1CC23C,0.215
CC(C)C(=O)OC=NC,0.2426
CC1C2C3C4C1CC4N23,0.2957
CCC1C(O)C1(C)CC,0.304
ON=C1CCC2(O)CC12,0.2429
CC1(CN1)C1OCC1=O,0.2149
OC1CC11NC2CC12O,0.2926
Cc1c(cno1)CC#N,0.2403
N=C1NN=C(N1)C#N,0.1673
c1c([nH]cn1)C(=O)N,0.2118
NC(=O)C1COC(=N)N1,0.2396
CC1(O)C(CO)CC1=O,0.2166
COC12CCC1C2C#C,0.2799
CC12C3CC(C13)N2C=O,0.2481
CC1=NOC(=O)C(=N)N1,0.1966
C1OC23C4CC12CC3O4,0.2807
COC(C)COC(C)=O,0.2765
OCC1C2CC3CC1N23,0.2851
CC1CCC2CC2C1O,0.3171
Cc1c2c(nc[nH]2)n[nH]1,0.2081
OCC12C3OC1CC23O,0.2879
Cc1nc(=O)n(nn1)C,0.1638
C1CCC2(C1)CCC2,0.3572
CC1CCCC(=O)C1=O,0.1663
CCC1=CCC(C)(O)C1,0.2587
N=C1OCCOC1=N,0.2249
N#CC1C2C3N2CC=C13,0.1631
CC(C#C)C(O)C#C,0.2827
CC1(CC1)C(=O)C#C,0.2034
C1COc2c(nno2)N1,0.193
c1ccnc(=O)nc1,0.1591
O=CNC1C2CC2C1=O,0.2175
CC1(C(=O)NC(=N1)N)C,0.2401
CC1OCC(C)(O1)C#C,0.2917
Cc1c[nH]cc(c1=O)N,0.1795
CNc1nc(nn1C)N,0.2317
CCC12NC(C1O)C2O,0.3113
OC1CC=CC11CC1,0.2492
c1c(c(on1)N)C=O,0.2016
CCC1=C2CC3C(C1)C23,0.1733
CC1(O)COCC=C1,0.2537
OCC1(O)CC1NC=O,0.248
COC1CNC=C1C=O,0.1847
COC(C#CC)C1CC1,0.2886
CC(CC#C)OCCO,0.3102
C1OC1C12C3C4C3C1C24,0.2964
c1c2c(n[nH]1)NC=NC2,0.213
C1C2CC3=CON=C3C12,0.2443
OC1(COC=NC1)C=O,0.1982
CCn1ccc(n1)N,0.2304
OCC1=CC(=N)N=NN1,0.1695
OCC1NC1(C#C)C#N,0.2522
O=C1CC2(CC1N2)C#N,0.2235
CC1(C)CC(O)C1C=O,0.2231
OC1CCC(CC1)C#C,0.3163
CC1NC11C2CC1C2=O,0.2514
COc1cn[nH]c1CO,0.2273
N=C1OC2CC2CC1=O,0.1889
CC1=CC2C3C1OC23C,0.2242
CN1CC23CC(O2)C13C,0.2678
COC(=O)C(C)(N)C#N,0.2535
OC(CC1CC1)C1CN1,0.3094
CC(O)C#CCC(C)=O,0.2295
O=CN1CC2C1C1CN21,0.2581
O1C2C3OC4C=CC13C24,0.2226
CC1(OC=O)C2COC12,0.2491
CCCC1=NCCO1,0.273
COC1C(C)C11CCC1,0.3062
CC1OC=NC1C,0.2696
NC(=O)C1COC1C=O,0.2217
N=C1NC2(COC12)C#C,0.2435
C1C2CC11CCC=CC21,0.2622
NC(=O)CC1NC1C#N,0.2704
C1OC2C3COC2C1C3,0.3208
CNc1c(cc[nH]1)C#C,0.2049
CN1CC11CCOC1,0.3146
CCC1(C)C(C=O)N1C,0.1942
CC1C(O)CCC1=O,0.2198
Cc1ccn(c1)CC#N,0.2249
C#CC#CC1(CN1)C#N,0.2078
CCCc1cn(cn1)C,0.2481
CCC#CC1(O)CC1O,0.2647
CC1C2C=CC1C2CO,0.238
C#CC(C=O)(C#N)C#N,0.2203
CC(C)(C#C)OCC#C,0.2792
CCC1NC1C1OC1C,0.3183
C#CCC#CCOC=O,0.2689
NC12COCC1NC2=O,0.2529
NC(COC=N)CC#N,0.266
CC1CC2OCC2O1,0.3305
O=C1C2CCC1(N2)C#C,0.2291
CCc1concc1=O,0.1835
O=CC1=CCC2CC12,0.1916
Cc1c(oc(n1)C#N)C,0.1938
CCC12CC3C1C2N3C,0.2874
CCOC(=NC)NC=O,0.2352
CC1C(NCC1=O)C=O,0.193
OC1CC2(OC12)C1CC1,0.3207
CNc1c(nc([nH]1)N)O,0.225
CN1CC1CCO,0.2991
CC1CCC2CC1(O)C2,0.3248
CC1(C#N)C2CC1N2,0.2758
CC1=C(F)N=COC1=N,0.1794
CCC12OCC1C2C,0.3042
N#CC1C2CC1N1CC21,0.2767
C#CC#CCC1CC1,0.2308
CC1CC2(CC2)OC1=O,0.275
Cc1c(cc([nH]1)N)N,0.2218
Cc1c(c(c([nH]1)N)O)N,0.2213
CN1C2C3C(=O)C1C23C,0.2155
CC1(CC1)C(=O)C(=O)N,0.1745
CC1C2C3C1C=CC23C,0.2355
C1C(CO1)C#CCO,0.2744
CC(CO)C1OC1(C)C,0.3203
C1CC1C1C2CCCC12,0.3228
CCC1(C)C2CCC12,0.3334
c1nnnn1C(=O)N,0.2395
NC1(C#N)C2CC1N2,0.271
CC1=CNCC=CC1=O,0.1622
COC1C2CC(=NO)C12,0.2414
CC1C2C3CC2C13CO,0.3326
CC1OC(=O)C1C1CN1,0.2563
CN1C=CN=C(F)C1=N,0.1624
OCC1C2CCC12C#C,0.2676
N#CC12CC3CC(C1)N23,0.2497
C1CCOC2(C1)CC2,0.3254
NC1=NC=NC=CC1=N,0.1628
COC12CC1(C)OC2=N,0.2727
CCC1CC(C)(CO)O1,0.317
C(=Nc1nc([nH]n1)N)N,0.2044
CC1C=CC2(CN2)C1C,0.2359
OCC1CC(O)(C1)C#C,0.288
CC(N)(CC1CO1)C#N,0.2863
CC1C(=O)CC11CC1,0.219
OC12C=CC3C4C1N4C23,0.2367
O=C1C2C3C=CC1CN23,0.1975
CC1(C(N1C=O)(C)C)C,0.2542
OCC12CC1NC2C#N,0.2527
CC1OC2(CC2)C=C1,0.226
CC(N)C1=NC=NO1,0.2329
CC1(COC1C#N)C#C,0.2692
Cc1c(c(n[nH]1)OC)N,0.2373
C1C=CC=CNC(=O)N1,0.1763
O=C1CCC2OCC1O2,0.2134
OCC1C2C=CC1C=C2,0.2164
CCC1CCC1,0.3752
C1CC2COCC(C1)C2,0.3102
OC1C(=O)NC=C1C#N,0.1877
N=C1CCCC(=O)O1,0.2562
O=C1CC2C3CC=C1C23,0.203
OC1C2CC1(O)CO2,0.2878
OC1C2CC3NC3C1O2,0.298
N=C1OCCC2OC12,0.265
N1C2C1C1NC3C2NC13,0.2793
N=C1CCC2CC(=O)N12,0.2381
CC(C(O)C#C)C(N)=O,0.2539
c1cn2c(n1)OCC=C2,0.1871
O=C1C=CC2C(C#C)N12,0.19
C1C2N=C3NC=NC3C12,0.2162
CC12CC(=O)C1N=CO2,0.2056
Cc1c(cn[nH]1)C(=O)N,0.2362
CC1CC(C)OC(=N)O1,0.2882
CN=C(NC=O)C(C)O,0.2156
OC1C2CC2(C#N)C1O,0.2816
CC1C2OCCC(O)C12,0.3122
CC1OC2CC(=O)C12O,0.214
CC12OC3C1OC23C#C,0.2493
N=C1OCC(=O)N1C=O,0.2224
C1CC(=O)C(=C1)C(=O)N,0.1814
CCC1CC(C)(O1)C=O,0.2126
O=C1C2CC1C(=C2)C#N,0.2068
O=C1CC23CC2(CC3)C1,0.218
CC12CCC1=CCC2O,0.2445
CC1CC2=CC=CN12,0.2493
COC1CC(C)(O)C1C,0.3167
c1c(nc(o1)CN)C#N,0.2204
N#CC1=CC2C3CC2C13,0.1922
CN1C2CC(C)(C2)C1=O,0.2573
CCC12CCCC1C2O,0.3043
Cn1cc(c(=O)nc1)F,0.205
CCOC1CC1C(N)=O,0.2655
CCCCCN=COC,0.2694
CN1CC(NC1=O)C#N,0.2612
CCC1C(C2CC2)N1C,0.2879
CC1C2NC2C=C1CO,0.2425
CC#CC1(OC1C)C#N,0.2519
O=C1COC(C#C)C1=O,0.1347
CC(C#C)C1(O)CC1O,0.2953
CC1(CN(C1)C)NC=O,0.2453
CN1CC1(C#C)C1CO1,0.2647
CC1C2CCCC=CC12,0.25
CCCOCC1(CC1)C,0.3344
CC1OC11C2CC1C2C,0.3507
C#CC1NC11CCOC1,0.2736
O=C1CNC2CNC=C12,0.1735
O=CC12CC(CN1)C2=O,0.1941
CC(=O)n1ccc(n1)N,0.1889
CNC(C)C(O)C#N,0.2792
OC(C#C)C1CC(=N)O1,0.276
O=CC(=O)C1(CO1)C#C,0.1471
O=C1OCC11C2CCN12,0.2502
CC1(C)C2N3CC3C12C,0.2821
CC1CC1(O)C#N,0.2942
O=C1OCC2(CN12)C#C,0.2671
CC(C)C(=O)C(C)CO,0.226
c1cc2n(c1)CCCC2,0.2358
CC1N(C)CC11CO1,0.286
CC1(CCC1=O)C,0.2174
OC1C2CC3COC1C23,0.312
C#CC1(CN=CN1)C#C,0.2418
O=CC1=CCC(C1)C#C,0.1928
C1CC=C(C1)C2CC2,0.2471
CC12CC3C(OC1=O)C23,0.2712
CC1(O)C2OC2C1(C)O,0.3038
CC1CN(C)CCC1=O,0.2112
CC1C2CC1(C)C2C#N,0.3252
CC#CC1COC2CC12,0.2851
CCN1C2CC1C21CO1,0.3023
O=C1OC=NC2CC12,0.2427
CC1CCC(CCO)C1,0.3403
C#CC1C=CC2CCN12,0.2283
ON=C1CC2CC2(O)C1,0.2488
CN1CC(C1)C(O)C=O,0.179
CC1(C#N)C2CC=CC12,0.2392
CC1C(O)C11CCC1,0.308
CCOC1C2CCOC12,0.298
CC(O)C12CC1C(=O)N2,0.2538
COC12CC1(O)CC2=O,0.2209
CCOC12CC1C1CC21,0.295
C1OC23CC4CC2C4C13,0.3169
C1C2CC3=COC=C3N12,0.2315
COCC([NH3+])C([O-])=O,0.2725
C#CC(=O)c1ncco1,0.1776
c1c([nH]c(n1)CO)N,0.2257
CCC1C2OCC12CO,0.2966
NC(=O)CC(O)C1CN1,0.2465
Cn1c2c(nn1)CCN2,0.2175
CC#CC1CN=C(C)O1,0.2681
O=C1OC2=C(OCO2)O1,0.1952
CCC1CC2CC1(O)C2,0.3295
OCC12C3C4CN1C2C34,0.3028
CCC1C2CC=CC1O2,0.2372
O=CC1CC1C=O,0.2155
O=CC1C2OC1C2C=O,0.1919
COc1c(c(c[nH]1)O)O,0.2279
C1COCC1(C=O)C=O,0.2178
CN1CC2CN2C1=O,0.2773
C#CC1CCOCCO1,0.2863
CC1OC1(C[NH3+])C([O-])=O,0.2555
CC1NC(=O)C(C)=C1N,0.2137
OC1C2CC2C1(O)C#C,0.2731
CC1C2C(O)C(C)CN12,0.2712
CC(=O)C(O)C(=O)C#C,0.1858
CCC(=O)C#CC1CO1,0.2053
OC12C3C4C3C1C4C2=O,0.2118
CCC12CC3C(C=C1)C23,0.2385
N#CCC1C2CCC1O2,0.2912
Cc1c2c(co1)CCC2,0.2261
CC12CC=CC1C(=N)O2,0.257
CC1(C#N)C(O)C1C=O,0.216
CC1OCC(=NO)C1O,0.2482
CCC1C2CC=CC12O,0.238
O=CC12NC3C1OC23,0.2003
c1cn(cn1)CCO,0.2532
C#CC1CN=C(N1)C#C,0.2049
OC1CC=CC2(CC2)C1,0.2508
CC(C=O)N1C2CCC12,0.2239
CC1=C(C(=O)NCC1)C,0.2127
C1CCN(C1)C=O,0.2656
Cc1c(occ1C#N)C,0.2115
O=CC12OC1C1OCC21,0.2048
COC(C)CC#CCO,0.2841
Cc1c(c(on1)NC)N,0.224
COCCC(C=O)C#C,0.2203
OC1COC23CC12OC3,0.276
CC(C=O)C1(C)CC1O,0.2249
CCCc1cc([nH]c1)O,0.2437
C#Cc1c(c(c[nH]1)O)N,0.1849
c1c(c([nH]n1)C2CC2)N,0.2196
CC1(CO1)C(O)C1CN1,0.3128
C1CC(O1)C1=CN=CN1,0.2398
N=CNC(=O)C1CN1,0.2339
CCCC1CC1C(C)C,0.3486
CCC(C)C1(O)CC1C,0.3226
CC12CC3C1C(O2)C3=O,0.201
C1OC2C3C4C=CC12C34,0.2255
N=C1OC(=O)C2NC12,0.2386
CCCCC1C(C)C1C,0.3358
CCCNC(=O)C(C)C,0.2765
CCC1OC1C(=O)NC,0.2655
CC1=CCC2CC=CC12,0.2472
C1C2C3C2N2C1C32,0.3016
CCC(C)C1(C)COC1,0.3098
N=C1CC=C(CO1)C#N,0.2137
N=C1CCO1,0.2907
CC1=CC(=N)C(F)=CN1,0.1864
COC1(CC1)C(F)(F)F,0.3594
CC1N2C3C2C1(O)C3O,0.2925
COCC1(C)C(C)C1O,0.3156
c1cncn2c1ccn2,0.1824
Cc1nccc(=O)o1,0.1951
CC1CCC(=O)C(N)=N1,0.1717
CCOC(=O)C1CC1C,0.279
CCC(O)C1=NON=C1,0.2314
CC1NC(=O)C(C)C1O,0.2717
CC12OC3C1C1(CO1)C23,0.3171
C1CC23CCCC12O3,0.3286
CC12NC3C1OC23C#N,0.241
N#CC1CC1CC1CC1,0.3106
CCC1(C)COC(N)=N1,0.2807
OC1C2OCC11CCC21,0.3209
CN1C(=O)CN=C1C#N,0.1933
CC1=CC(O)CC1,0.2583
CC(=NO)C1CC(O)C1,0.2399
C(COCC(=O)N)O,0.2391
c1nc(=O)c(c(o1)N)N,0.1771
OCC(O)C(=O)C=O,0.1487
CC(=O)C1CCCCO1,0.2296
N=C1NC(=NO1)C#N,0.1768
CC12OC(=O)C1C1NC21,0.257
C1C(=NCC=O)OCO1,0.2248
OCC1C(O)C=CC1O,0.2386
OC1CC=C2COC2C1,0.2518
COCC1(C)COC1=N,0.2767
COCc1c(nn[nH]1)O,0.2248
O=CC1=CON=NC1=O,0.1899
Cc1cc(cnc1)C=O,0.182
CC1CC2=NNC=C2N1,0.2134
NC(=[NH2+])C1=CC(=O)N[CH-]1,0.0886
N#CC12CCOCC1O2,0.2749
OCC1C(O)C1(O)C#C,0.2533
CC(C(O)C=O)C1CO1,0.2226
CCC1CC(C)C1(C)O,0.3189
CC#CCNC(=O)N,0.2845
CC12CCN1C1CC21O,0.2801
CCc1c(cccn1)N,0.1979
CC1NC2COC12C=O,0.1929
c1ccc(cc1)CO,0.2384
CC1=CCOCC(=O)C1,0.2028
C1CC2COCCC1O2,0.3162
CCCC12CC1CC2O,0.3187
C(C#CCO)C#CC#N,0.2249
C1C2C3CC4C1N4C23,0.3202
c1cn(cc1N)CC#N,0.2018
c1c(c(nc(n1)O)N)F,0.2043
OC1COC2CC12O,0.2896
CC(NCCC#N)C#N,0.2776
COC1(CC1(C)N)C#N,0.2796
C1CC2C1C1C3OC1C23,0.3028
CC1(OCC=CCO1)C,0.2635
COC1CCC(=N)O1,0.291
CN1C=NC(=N1)C1CO1,0.2545
C#CC1CN1,0.2744
CC1COC2CCCC12,0.313
C1Cn2c1n[nH]c2=O,0.2384
O=C1CCC1NCC#C,0.1999
CCC1CN=COC1C,0.2746
CCOC1CC1C1CC1,0.3284
CC1(O)C2C3NC3(C)C12,0.3159
CC1CC11C(O)CC1=O,0.2166
Cc1c[nH]cc1N(C)C,0.2314
CC1(O)C2COC=NC12,0.2469
CC12CC(=O)CC1N2,0.2226
CC1=C2NCC2CC1=O,0.1982
c1c(nc([nH]1)C=O)C=O,0.1787
CC1(C)OCCC2OC12,0.3314
COC1C2C3CC2C13C,0.3406
C#CCC#CC1CO1,0.2691
c12c([nH]nc1O)[nH]nn2,0.2154
Cc1ccc(cc1)C,0.2322
C1CNC(=O)C1=NO,0.1957
Cc1nc(on1)N2CC2,0.2423
COC(C)C1COCO1,0.338
CC1=CC2(C)OC2(C)C1,0.2421
CC1(C)CC2(CC2O)O1,0.2939
c1c[nH]c2c1C(=O)CN2,0.1897
O=C1CCC1N1CC1,0.1906
CC1(NC11COC1)C#N,0.2686
COC12C3OC1C(O)C23,0.2971
CC1N=COC1C(C)=O,0.2196
CC1OCC2CC1(C)C2,0.3258
O=CC1CCOC(=O)N1,0.2112
CC12COC(C#N)C1O2,0.2916
CCC1C2C(=N)OC12C,0.2766
O=C1CC2C3CC3C2N1,0.2757
CC1(O)CN(C=O)C=C1,0.2107
C#CC12CC3C1CN23,0.2553
N#CC1(CN=CN1)C#N,0.2396
N=CN1C(CC1=N)C=O,0.1917
CCOC(C#C)C(C)C,0.2999
c1[nH]nc-2ncnc2n1,0.1738
OC1CCC=CCC=C1,0.2381
CCC#CC1(CCC1)C,0.2949
CC1(CC=CC1)C=O,0.2235
C1C2C3CC1OC23,0.3266
C1NC11C=CC2CC12,0.2369
CC(C)C1(C)CN1C=O,0.2542
CC1OC(=N)OCC1O,0.2986
C#CC1=NC2(CC2)CO1,0.1991
OC1C2NC3C2NC13,0.281
CC1CC2(C)C3CN3C12,0.2903
O1C2C1C1C3C4C3N1C24,0.2903
C(CC(=O)N)CC(=O)N,0.2708
CC1CC2C3CC1C23O,0.31
O=CC1CC11COC=N1,0.2104
CCOCC(N)C#N,0.2851
CC(=O)CC1OC1CO,0.234
C(C=O)OC(=O)CC#N,0.2301
CC1NC(=N)C(=O)C1C,0.1779
O=C1CCN2CC2C1=O,0.1607
NC(=[NH2+])CNCC([O-])=O,0.2087
CC1OCC11OCC1=O,0.2132
COC1C2CCC1CC2,0.3221
CNC1=CNC=NC1=N,0.1815
CC(C#N)C1CCN1C,0.2663
N=C1OC2CC3OC1C23,0.2621
N=C1N=CNC=NC1=O,0.1828
C1c2c(nno2)N=CO1,0.1826
CCCC(=NO)C#CC,0.2077
CC12C(CC1O)C2C=O,0.2158
CC1C(C)N(C)C1C#N,0.2554
CC#CC(C)(C=O)C=O,0.2049
CC1CC2C3CC(C1)C23,0.3276
O=CNC12CC1OC2,0.2534
CC1C=CCC2OCC12,0.2571
O=CC1OC11CCC=C1,0.2073
CN1CC1(C#C)C1CC1,0.2613
CCC12CC1C=CC2O,0.239
CCC1=CC2OC2C1O,0.2377
OC1C2NC1C21CCO1,0.308
CC1CN1C(=O)C(C)=O,0.1724
CC12OC1C1OC2C1=O,0.2427
CC1(CCC1=NO)C=O,0.2102
O=CC(C#N)N1CCC1,0.2043
C1OC11CC2CN2C1,0.3108
CC1C2NCC(=N)OC12,0.2552
C1C2CC3OC12CC=C3,0.2595
C1CC23CCC2=CCC13,0.2425
N#CC12NCC1N1CC21,0.2423
CC1=CC2(C)NC1C2=O,0.2331
CCC1OC(C#N)C1=O,0.2204
CC1C2OC3C(C)C2C13,0.3222
CCC1C2CC2C1C#N,0.3055
CC1NC(C#N)C11CO1,0.2706
CC1=CCC2CC12C#N,0.2463
O=CC12CC3(CC3)C1O2,0.2142
CC(C)N=C1OC2CC12,0.2644
CC#CC1C2C3CN1C23,0.2581
CC(C)C1C2CN2C1=O,0.2322
CCC1C2CC1(O)C2C,0.3314
Cc1c([nH]c(=O)[nH]1)N,0.2291
Cc1c([nH]nn1)OC=O,0.2296
CC1CC(CC1O)C#N,0.319
NC1CC1([NH3+])CC([O-])=O,0.2714
c1c([nH]c(=O)[nH]c1=O)N,0.2147
CC(C)C(C#C)N1CC1,0.2822
COC(CO)C#CC#N,0.2264
CCC12CC(C1)(O2)C#C,0.2559
CC1C2C3C(O)C3C12C,0.2684
Cc1cc2cn[nH]c2[nH]1,0.2201
OCC1C2CC1(O)C2O,0.3106
NC1=CC(=O)CC1C#N,0.2052
CCC(CO)CC#N,0.2898
CC1(CCO)CN=CO1,0.2729
N=C1OCOC(=N)C=C1,0.1872
OC1CC(OC1=O)C=O,0.222
N=C1OC2CCC2=C1,0.2067
OC1C(O)C11CCOC1,0.2846
c1cnc([nH]1)OC2CC2,0.2515
OC1(CC1)C1CC1C#N,0.2853
CC12CC1C1(CC1)OC2,0.3168
CC(=O)C#CCCCO,0.2083
OCC1CC1CO,0.3308
C#Cc1cnc(cn1)N,0.1729
O=CC(CC#C)C#N,0.2177
O=C1CC23CC4C2CC134,0.2087
COC12CCC1(C)OC2,0.3031
CN1C(=N)OCOC1=O,0.2619
c1cc(oc1)N2CCC2,0.2153
c1c2c(no1)OCO2,0.2303
C1CC(C1)CNCC#N,0.2692
C1C2OC1C1=C2OC=N1,0.2166
COC(=O)C(O)CC#C,0.2503
CN1N=CC=C1C1CO1,0.2406
O=C1CCC(CO1)C#N,0.2697
CC1CC(O)CC1C=O,0.2218
C#CCC1=CCOCC1,0.259
CC1CC(=O)C1CO,0.219
CC1OC2C(=N)OC12C,0.2629
CC1N(C)C2CC12O,0.2732
Cc1c(cc([nH]1)CO)N,0.2109
CN=COCCC1CC1,0.2728
CC1CNCC(=O)C1C,0.1965
CNC1C(O)C1(N)C#N,0.2538
C(CO)COCC#N,0.2846
NC(=O)C1C2OC1C2=O,0.2264
NC(C#C)C1=CC=NO1,0.2364
C1OC2COCCOC12,0.305
CC1C(O)C1C1(C)CC1,0.3065
O=COC12CC3CC1C23,0.2631
C1CC23COC12CC=C3,0.2554
COCC1=NCC(=O)N1,0.2349
C1C(=NO)C=CN1C=O,0.1679
CCNC(=O)NC,0.3042
CCC#CCC(O)C#C,0.2718
CC1(C)NC1(C)CC=O,0.2154
C1CN2C1C21CCOC1,0.3098
CC(C)C1CC(=O)C=C1,0.1917
CC(C)(CC#C)OC=N,0.2824
CC1OC(=N)C2C1N2C,0.2548
c1cc(c(nc1)F)F,0.2221
COCC1CCC(O)C1,0.315
C1CC23CC4CC12CC34,0.3306
CC(C)CCOC=NC,0.2728
c1ccc2c(c1)cno2,0.2032
CC(C)NC(=O)N1CC1,0.2828
OCC1CC2C3CN3C12,0.2912
C1CC1c2c(nn[nH]2)O,0.213
C1C2NC3=NCCN1C23,0.2044
OC1CC11CC2CN12,0.3024
CCC1CC11COC1=N,0.2807
CCC12OC3CCC1C23,0.3023
O=C1CNC2CCC2O1,0.2545
Cc1c(cco1)C(=O)C,0.1936
CC1CC1(CO)CCO,0.3152
CC1C2C3OC1C(C)C23,0.3187
Cn1cnc2c1[nH]nc2,0.2282
CCC1C2CC3(CC3)C12,0.331
COC1COC(=N)C1,0.2847
CC1C2NC1(C=O)C=C2,0.1935
C(COCCOC=O)O,0.2806
c1cnc-2coccc12,0.161
CC1OC(=O)C1(C)C=O,0.2177
CN1C(=O)CCCC1=O,0.2352
NC1=NON=CC1=N,0.1648
CC1CC2C(NC=O)C12,0.2705
c1c(onn1)C#N,0.212
C1C(CC1=O)CCO,0.2233
Cc1cc(co1)OC,0.2292
CC1CC(=O)C1C1CC1,0.2171
CC1(C)CC(O)CC=C1,0.2677
CC(C)(C#C)C(=O)OC,0.2756
COC(=O)C1=CCCC1,0.2167
COCC1CCNC1=O,0.2702
CC1C2C3CC(N23)C1=O,0.2154
FC1=C(F)C(=N)C=CO1,0.1938
O=C1CC2CCC(=O)C12,0.1967
CC(C#C)(C#N)C1CC1,0.298
CNc1cnc(nc1)N,0.1636
C1C2CC11C=CC3C1N23,0.1731
N=C1C2C3N=CN1C23,0.2152
OC1(CC#C)CC2NC12,0.2709
CC1C2CC(O)CC1O2,0.3062
O=C1C2CC=CC1O2,0.2165
CC1(COC=O)CCO1,0.272
C1CC1C12CC(C1)C2,0.3595
[O-]C(=O)C12[NH2+]C3C1CC23,0.2121
CC(C)(C)CC(=O)OC,0.2814
CCOC1(CC1)C#N,0.2922
Cc1c(n(c(=O)o1)C)N,0.2332
CCc1cc(oc1)CO,0.2322
OCC1C(C#N)C1C#N,0.2747
N=C1NC=C(C=O)N=C1,0.1606
CN=C1N(CCO1)C=O,0.2337
CC12CC3C(OC13)C2=O,0.2084
CN=COc1[nH]ccn1,0.2243
CC(NC1CC1C)C#N,0.256
CN1C(=N)CN=C1C,0.22
CC1CC2=CCC(C)C12,0.2488
Cc1c2c(no1)C=CC2,0.2121
CC1=C(NC=C1)C1CN1,0.2392
CC#CC(=O)C(C)(C)C,0.2034
CC12C3CC1CC(=O)C23,0.2211
c1c([nH]c(c1N)O)CO,0.2208
CCCC1(C)CC1CC,0.3402
Cn1cc(cnc1=O)F,0.166
OC1CC(C#C)C1=O,0.2112
CC1C2CC1(C)CC2,0.3586
CN=C(C=O)N(C)C,0.1629
O=C1C2C=CC3OC2C13,0.2021
O=CCC1COCC=C1,0.2223
OC12CN3CC1(O)C23,0.266
OC(CC#CC#C)C=O,0.2053
CC(CCO)C=O,0.2273
C1CC1OC(=O)C(=N)N,0.2002
N=C1C=NC=NOC1=O,0.173
CC1COCC2OC12,0.3302
FC(F)(F)C12CN1CC2,0.3192
C1C2CC1C1=CCOC21,0.2433
CC1=NOC(=N)C=C1N,0.1606
OCC1=CC2CN3C2C13,0.2324
CC(=O)C(CO)OC=N,0.223
CC(C)(C)CC#CCO,0.2762
C#CCC12OC1C1NC21,0.2666
CC(C)c1conn1,0.2318
C1CC2(C1)CO2,0.3343
ON=C1C=CNC1C=O,0.164
C1C2OC11COCCC21,0.3125
OC1(CCN2CC12)C#N,0.2548
OC1C=CC2(CO2)C1=O,0.1996
COC12CC3(O)CC1C23,0.3123
CCC(=NO)C(C)(C)C,0.2522
CC1C2CN2C1(C)CO,0.3184
CCOc1c[nH]c(=O)o1,0.242
CC1COCC2OC12C,0.3296
CC1(O)CCC2CC12,0.3312
CCC12CN1CCC2=O,0.2166
CC1=CC2(O)CC2C1O,0.2382
COC(C#C)C(N)C#N,0.2812
CC1CC(C#C)C11CN1,0.2879
CC1=CCC2=CCOC12,0.2478
CC1(C)C=CC2CC1O2,0.2393
CCCC(=O)CC(=O)C,0.207
O=CC12C3OC(C13)C2=O,0.2003
COC12CCOC1C2O,0.3027
CC1CC(=O)C(O)C1=O,0.1922
CCC1(C)C2NC(=O)C12,0.25
CC1CCC1(O)CCO,0.3194
COCCCCCC#N,0.2955
N=C1CC=CC(O1)C#N,0.2464
Cc1c(c(no1)N)N,0.2267
CC#CC#CC(=O)C#C,0.1622
CC1CC1CN1CC1C,0.305
C1CC2(C1)CNC(=O)N2,0.302
CC(=O)C1CC=CC1,0.2297
CC(C)(C=O)C(=O)CO,0.202
CC1=CC(CC1O)C=O,0.2167
CC(C)(CCOC)O,0.3117
CN(C)c1c[nH]c(=O)[nH]1,0.231
CC1COCC1C,0.3197
COCC12CCC1N2C,0.3218
c1cnc(cn1)OC=O,0.1993
C1CC1(CC=O)CO,0.2125
CC12N=CN3C=NC1C23,0.1991
CC1(C#N)C2CCOC12,0.2838
CC12CCC(C1)OCO2,0.3291
c12c(onc1onn2)N,0.1729
CCC1N2CCC12C#C,0.247
CC1OC2(CC#N)CC12,0.277
N=COCC(C#C)C#C,0.277
CC(CC#C)CC#C,0.2958
C1COC(=O)C(=O)CO1,0.1731
C1CC2OCC1CO2,0.3193
OC1CC=CC2NC2C1,0.2444
CC1CC2(C1)NC2CO,0.3166
Cc1c[nH]c(=O)nc1O,0.1912
CC1(CO)OC2CC12,0.3143
CC(=O)CC(CO)CO,0.2342
OCC1(CN1C=O)C#C,0.2479
CC1CC(C#N)C11CN1,0.2863
O=C1C2CC3(C#C)C2N13,0.2426
CC(=O)C1OC1CC#N,0.2206
CCC12C3C4N3C1C24O,0.2675
CN=C1C=NON=N1,0.1641
OC1CCC=CC=C1,0.1925
O=C1C=CNCC2CC12,0.1914
CCC1CCCOC1,0.327
CC12NC1C1NC1C2O,0.2839
COC1(C)CC1OC=O,0.2781
c1c([nH]c(n1)CO)CO,0.2369
[NH2+]=C1C=N[N-]C=C1C=O,0.1527
COC1C2NC1C21CO1,0.3183
CC1OC1C1=NOC=N1,0.2393
C1CC(C1)C#CCCO,0.2941
NC1C(OC1=N)C1CN1,0.2604
CC12C3CC1(OC23)C#C,0.2494
OC1CC1N1C=CC=C1,0.2424
CN1CC2(C1=O)COC2,0.2706
O=C1CC2CC(=O)OC12,0.205
C1C2C3C4C5OC13C2C45,0.3331
C#CC1=CC2CC1C=C2,0.1864
OCCC(CO)C#C,0.3046
CC#CC1(NC1C)C#N,0.254
C#CC(=O)CCC(=O)N,0.196
NC(=O)C1C2CC1C=C2,0.2286
NC1=NCC(OC=O)O1,0.2373
C1OC23CN(C2)CC13,0.3105
c1c(onc1N(=O)=O)N,0.1583
N#CC12C3NCC1OC23,0.2401
OCC12CN1CC1NC21,0.2984
CC1=CC2C3CC2(O)C13,0.225
CCC1C2CC1(O)CC2,0.3251
O=C1CC2(CC3NC23)O1,0.262
O=CC1NC1C1CCO1,0.2209
C1OC23COC12C1OC31,0.2797
O=C1OC2C3CC(O3)C12,0.2764
CN=c1cc(onc1)F,0.1696
CCC([NH3+])C1=NC=N[N-]1,0.266
OC12CC1OCOCC2,0.3131
c1c(c(on1)C=O)C#N,0.1792
N#CC1=CC2NC2CC1,0.2041
CC1(CC1C=O)C(N)=O,0.2208
CCOC1C2CC1C2O,0.3199
CCC1=CCNC1=O,0.2224
COc1c(n[nH]n1)C#N,0.212
CC1CCC=C1C1CO1,0.2432
NC(=[NH2+])C1=C([O-])C=NN1,0.1461
CC1C2CN3CC3C12C,0.2944
CC(=O)N1C2C3CC2C13,0.2494
CC(O)C(O)C(O)C#N,0.2761
CCc1c(cc[nH]1)C#C,0.2159
OC12CC34COC(C13)C24,0.315
C1COC12COCOC2,0.3124
CN1C(C=O)C2CC12C,0.1858
CC1=NNC=C(O)C1=N,0.1745
O=C1CNC2C3CC1C23,0.1893
CC12CC3CC1C3O2,0.3313
CC1(C)CC1(C)NC=O,0.2736
CC1CCCC(O)C1,0.3372
OCC(C#C)C1CN1,0.2797
NC(CNC=O)C#N,0.2707
CC(C#N)C1CCCO1,0.2969
CC1(CC1O)C(O)C#N,0.2814
OC1C2(O)CC1(O)C2,0.3093
OCC1N2CCC12C#C,0.2495
OCC1OCC1C#N,0.2785
CC1C2CC1C2CCO,0.3432
CCn1ccnc1OC,0.2475
CC1CC2(CC12)C(C)=O,0.2255
N=C1OC2COC1C=C2,0.2324
C1OC2CCOCC=C12,0.2439
CN1C(CO)C1C1CN1,0.2862
CCC1(CO1)C1CN1,0.3286
C#CCC1OCC2OC12,0.3092
CC1CN(C=C1)C(C)=O,0.2074
CC(C)Nc1nnon1,0.1895
Cc1ccncn1,0.2122
COc1c[nH]c(c1N)O,0.2453
CC(O)C1N=CNC1=N,0.2222
C1CC23C=CC4C2OC134,0.2001
CC1(O)CC11OCC1=O,0.2163
CN1CC1(C#N)C(C)=O,0.2161
CC1OC2C3COC3C12,0.2936
CCCNC(=O)C#CC,0.2324
COCC12OC3CC1C23,0.2967
CN1CC1C1(C)CN1,0.302
CC#CCCOC=O,0.2642
N#CCCC1(CN1)C#N,0.2947
CC(=O)C1(C)OC1C=O,0.2083
C1OC2C1N1C=CN=C21,0.2397
N#CC#CC12CCC1N2,0.2198
OCC1(C#C)C2COC12,0.2713
CC1=CN=CC=NC1=N,0.1485
CC1(CC(CO)O1)C#C,0.2761
CNC(=O)CC(=O)CO,0.209
O=C1CC2CCC2CN1,0.2705
CC(C)(O)C1CC1C=O,0.2244
CC12CC1(OC2=N)C=O,0.2137
C1CC2C1C21CCOC1,0.3332
CC12CCC1CN1CC21,0.3036
C1NC1C1=NC2CC2O1,0.2455
Cc1ccoc1C=O,0.1888
CC1C(C)C2(O)COC12,0.3029
CC#CCCCCC=O,0.2232
Cc1c(nco1)C(=O)C,0.2046
C1COC2(C1)OCC=C2,0.2591
CC1(COC1=N)C1CN1,0.2608
CC(O)(CO)C#CCO,0.2785
COC12CC(C1O)C2=O,0.2268
Cc1c(c([nH]n1)C#N)N,0.1891
CC1CCC2C1OC2=N,0.2874
OC1C2CCCC1C=C2,0.2557
OC1C2OCC22COC12,0.2874
c1c(cn[nH]1)C#N,0.2433
CC(O)C1C2OCOC12,0.3176
CC1CC2=CCOC2O1,0.2513
CNC(=O)CC1CC1,0.2749
OC1(CC1CC#C)C#C,0.272
N#CC1CC1N1CCC1,0.2458
c1c[nH]cc1CC2CC2,0.2499
c1c2n(cnc1=O)CC2,0.199
N=CNC(=O)CC1CO1,0.2373
CC1(C)C2CC1(O)C2O,0.316
COC1C2NC1C2(C)O,0.2936
O=CCC#CC1CO1,0.2204
CC12CC1(C)OC2,0.3117
CC1(C)CC1(C)CC#N,0.3116
Cn1cncc1CC#N,0.2447
CCn1cnc(n1)C,0.2648
C1CC2=CCOCC2=C1,0.1971
OCC1NC1CC1CO1,0.3207
OCC12NC=NC1C2O,0.2374
OC1C2CN2C1CC#N,0.2869
c1c(cnc(c1N)N)O,0.1829
C1C2C=CC3=C2N1C=N3,0.1763
COCC(CC#C)C=O,0.2274
CC1OC1CC(C)(C)O,0.3236
CC1C2OC1C(O)C2O,0.2866
CCC(CO)C(N)C#N,0.272
C1CC11COCC2OC12,0.3312
COC12CC3C4C(C14)C23,0.3176
c1conc1N2CC2,0.2342
N=C1N=CON=C1C=O,0.1612
c1c[nH]nc1N,0.2353
OC1CC2=CCC(=O)C12,0.2202
CC1NC(CC#N)C1=O,0.2164
CC1OCOCCC=C1,0.2515
O=CCC1CC1C1CO1,0.2261
CC1CC1C1OCCO1,0.3434
CC(C)C1OC1C1CC1,0.3367
CC1C2CC1(C)C2C#C,0.297
CC#Cc1c(nno1)C,0.1918
CC12CC(O1)C1(CN1)C2,0.3174
CC1C(CO)C1OC=N,0.265
CN1CC2CCC12C#N,0.2397
O=CC#CC12CC(C1)C2,0.2017
CCC1CC11OCC1C,0.3036
O=CC1CC2CC2C1=O,0.2066
Cc1cc(n2c1CC2)N,0.2217
CCNc1nnon1,0.1919
COc1cc(oc1)C#N,0.1917
CC1C2CN(C12)C(C)=O,0.2579
O=C1CC2N1C21COC1,0.2346
C1CN1C1C2C3OC3C12,0.2708
OCCN1C2C3CC3C12,0.2795
CC1CC2=C(NN=C2)N1,0.2308
OC1(CN2CCC12)C#C,0.2386
OC1=C(OC=N)C=CN1,0.1764
C1CC1C12CC1CC2,0.3202
CC(O)C(=O)C1CN1C,0.2001
CC12CC3CC=C(C1)C23,0.2171
[NH3+]CCC1=N[N-]C(=N)O1,0.1593
OC1C2C3C(C=O)C1N23,0.2191
CC1C2(C)CC1(CO)C2,0.3379
Cn1c(c[nH]c1=O)O,0.2311
CC(C)CC(=O)C(=O)C,0.1571
N#CC#CCC1CN1,0.2222
N#CC12CC3CC(O1)C23,0.2648
C1CN(C(=N1)CO)C=O,0.2248
CCN(C1CC1)C(=O)N,0.2795
COCC1CCCCO1,0.3317
CCC1C2CC1(C)C2O,0.3199
O=CCOCC1CO1,0.2292
CCN=c1occo1,0.2318
OC1C=CCC2CC1O2,0.2606
CC1OC2CC(C2)C1O,0.3048
CCNc1nc(on1)N,0.2405
c1c(cn[nH]1)CC=O,0.2181
CC1C2COC1(C)C2O,0.3052
CCC#CC#CCCO,0.2242
O=CC1CCCN=CO1,0.2103
CCC1C2N3CC3C12O,0.2828
CC1CCN1CC#N,0.257
C1OC2C=CCC22NC12,0.2509
CNC(C#N)C1CO1,0.2775
C1OC2C3C4C5C3C12N45,0.2872
CC(O)C(O)C(F)(F)F,0.3266
NC1C(O)CC1C#N,0.2749
COc1ccnc(=O)[nH]1,0.1861
CC1C(=O)NCC1(C)O,0.2745
CCCC(C)(C=O)C#C,0.2189
CCC1(CO)NC1C#C,0.2755
CC1CCC2CC12C,0.3367
CC1OC2C=CC1C2O,0.2465
CC12OC3C4CC4C1C23,0.2931
NC(C#C)C1=NNC=N1,0.2448
COC12CCC1C2(C)O,0.2992
Cc1c[nH]cc1C#C,0.2204
C1CC12COC23CC3,0.2966
COC12CC1C1(C)NC21,0.2853
CC1(C)CCC2(CO2)C1,0.3307
CCCCOCC#CC,0.284
N#CCN1CC2CC2C1,0.2597
O=C1OCC11NC1C#N,0.2537
CC1=CCC2NC2C1O,0.2614
OC1CC2(COC2=O)C1,0.2703
CCN1N=NOC1=N,0.2049
CCNC(=O)C#CC,0.2333
Cc1cc(c([nH]1)O)NC,0.2127
CC1CC2COC(=O)C12,0.2687
CCC#CCC(O)C#N,0.2671
CC1(C)CC2(CO)CN12,0.2991
CC1=CCC(C)(O)CC1,0.2606
C1C2C=C3CC4C2N1C34,0.1786
CC12CCC(C)(C1)OC2,0.3114
CC12CC1(O)C1(CN1)C2,0.2877
CC(O)(C#C)C1CC1O,0.3023
C1OC11CCOC=NC1,0.2645
CC1C2C(O)C2C1C=O,0.2042
CCC1(C)OC11COC1,0.3165
CNc1c[nH]nnc1=O,0.1635
NC12C(CC1O)C2C#N,0.2793
CC1COC(C)C11CC1,0.3164
CCC1(C)CC(C)C1C,0.3429
CN=C1NN=CC(N)=C1,0.1546
CC1(C)OCOC1C#N,0.2862
CC1OC=NC1(C)CO,0.264
COC12C=CC3CC1C23,0.2355
C1NC1C12COC1CO2,0.2982
CC1=CC2COC(C1)O2,0.2522
OC1CNC2C1OC2=N,0.2578
CNC12C3OC1CC23O,0.2805
CC1CCC2CC2(C)C1,0.3314
COC1COCC(O)C1,0.3058
OCC12CCCC1O2,0.337
C(C1CC1)C1CCO1,0.33
CCCOC1CC1(C)C,0.3304
Cc1ccnc(c1F)C,0.225
CC(C)c1noc(=O)o1,0.2685
CC1([NH3+])C(O)C1C([O-])=O,0.1562
CC1OC2C1NC2=O,0.2494
C1CN=C2NC3C(O1)C23,0.2125
CC1OC1C1(CC1)C#N,0.2984
C1C2C3C4C2CCC1N34,0.3215
OC(C#N)C1(O)CC1O,0.2875
CC(C)C,0.401
CC#CC(N)C#N,0.2661
CCCC#CCOC=O,0.2675
COC1(C)C(O)C1O,0.2934
CC(CC(C)(C)C)C#C,0.3114
CC1C(CC1(C)C)C#C,0.3031
OC12CC1CC2C#C,0.2927
CC1CCC=CC2CC12,0.2509
OC1C2CC2OCC1=O,0.2133
CC12CC(=O)C1COC2,0.2143
CC1(C)NC(C#C)C1=O,0.2097
CCOC(C)(C#N)C#N,0.2772
CC1C2OC1C(C)=C2,0.2356
CCC12CC1C1CC21O,0.2766
CC1C=CC(O)CC1=O,0.2224
CC(C)(CC#C)C=O,0.2275
CN1N=NC(=N)OC1=O,0.1858
OC(CCOC=O)C#N,0.2848
C1C(=O)OC(=N1)CC=O,0.2271
C(=O)n1c(=O)oc(n1)N,0.2107
COCC(C)OC=NC,0.2721
COC(=O)C1(O)CC1C,0.2529
C#CC1CCC2OC12,0.3055
CC(CC=O)C1CC1O,0.2273
O1C2C=CC1C=CC=C2,0.1898
OC1C(=O)NC11COC1,0.2645
N#CC1CC2NC12,0.28
OC1C(CC1=O)C#C,0.2133
CC1CC1(C)OCC#C,0.2794
CC(C)C1CC1C,0.3498
C#CC1(CC1)C#CCO,0.2604
N=C1CNC(=O)C(=O)O1,0.203
C1CC11CCC2OC12,0.3486
CCC1OC=NCC1=O,0.203
CN1CC=CC(C1)C#N,0.2257
CC1(CCC#N)CC1O,0.3053
NC(CCN1CC1)C#N,0.2676
CC1C2COC1OCC2,0.3258
C1CC=C(C1)C#CC#N,0.1815
COC1C(C)C11CCO1,0.2782
C1C2OC(C12)C1CCO1,0.298
CC1(CO)CC(O1)C#N,0.2664
C#Cc1nc(on1)C#N,0.1971
c1c(onc1O)C(=N)N,0.2019
CC1C=CC2=C1C=CN2,0.1777
CCC(N)(C#N)C#CC,0.2707
CCC1CCOC1=NC,0.2707
C1CC1C1=CC2OC2C1,0.229
CC1=CC(=O)N(C1)C,0.2114
OC1C2CCC(O)CC12,0.3151
CCCNC(=NC)C=O,0.1608
CC1(CO1)C#CC#C,0.2181
c1cnn[nH]1,0.2618
COCC1COCCO1,0.3115
CCC1C2CCC1OC2,0.3103
O=C1CC2C3CC1CN23,0.2259
CN=C1OC(C=O)C1O,0.1931
CCC(C)(O)C1NC1C,0.3119
CC1C(C)C11CCO1,0.2912
CCC1(C=O)C2CC1C2,0.2171
OC1CC11C2CC1C2=O,0.2525
CCCC1C2CC(=O)N12,0.2341
C1CC1C(=O)C=O,0.1539
CCOC1C(C)C1(C)O,0.3105
CC1(O)CNC(=O)C=C1,0.2011
CC([NH3+])C(C)(C)C([O-])=O,0.2774
c1c(c(co1)N)CC#N,0.2173
CCN=c1[nH]nnn1C,0.195
C1OC2C1C21CN=CO1,0.2475
CC1(CC1)C2(CC2)O,0.3162
OC(CC1CCO1)C=O,0.2138
CC1N2CC3C1(O)C23C,0.2845
C1CC=CC=CC=CC1,0.1613
C1C2COC=NCC1O2,0.2257
OCCOC1C2COC12,0.3062
NCC1(CNC=N1)C#N,0.2349
O=C1COCC2CN2C1,0.2067
CC1CN1C1=CC=NN1,0.2394
CCC1(C)CCC1O,0.3296
CC1C2COCC1C2O,0.3187
CC1(C)C2C3CC2(O)C13,0.3295
C#Cc1c[nH]nc1O,0.2183
Cn1c(cc(=O)cn1)O,0.1884
c1c([nH]cn1)COC=O,0.2311
N=C1OCC1OCC#C,0.263
CCOC1CC11CCC1,0.3091
CC#CC1=CC2NC2C1,0.1971
CC1=Cc2c(cn[nH]2)C1,0.1881
C#CCn1cnc(n1)O,0.2446
C1CC(C1)C2OCCO2,0.3398
CN1CC1(CO)C1CO1,0.2922
OCC12NC1CC21CC1,0.2784
CC([NH3+])(CC#N)C([O-])=O,0.2686
C1CCCNC(=O)CC1,0.267
C1CC11COC2CCC12,0.3172
Cc1ccnn1C,0.2575
CC#CC(=O)C(C)C,0.2054
CC1C(O)C1(O)CC#C,0.2647
CC12C3CC1CC(O)C23,0.3224
CC1NC11CC2CC12O,0.2877
OCC1C2OCCOC12,0.2988
CC1NCC(=O)OC1=N,0.2351
COC1CC(=O)C1(C)C,0.2166
CC(O)C(=O)C(C)CO,0.2319
CC1C2N3CC2(CO)C13,0.286
CC1NC1CC(O)C#C,0.2923
CC1C=CC(=NO)C1=O,0.1722
COc1ncc2n1CC2,0.2512
CC12CC(O1)(C#N)C2=O,0.2385
O=C1NC2C3OC1C23,0.2341
CCC1C2C3OC2C13,0.305
CC(C)(CC=O)C=O,0.21
c1c(coc1N(=O)=O)N,0.1472
COC1C2C3NC3C12,0.2654
CC1C2(C)CC=CC12C,0.2437
CC1(C)CCC1C#C,0.2996
CC1(CCCO1)C,0.3168
N=C1NC(=O)CC11CC1,0.25
C1NC11C2C3CC1OC23,0.31
CC(=NO)C1NC1C=O,0.2266
CC(OC(C)C=O)C=O,0.2162
NC1=NC(=N)C=NC=N1,0.1637
C1CN1C1CCOC1,0.3203
CC12OCC3CC1C23C,0.3069
c1nc(c(c(n1)O)O)N,0.2144
CC1COCC2CN12,0.2961
CC(C#CC=O)C1CO1,0.2043
CCCC1CC(=O)C=C1,0.1916
C1CC1(CCCC=O)O,0.2279
CN1CC(O)C11CC1O,0.2674
N=C1NC=NC=N1,0.1774
CC1(COCC=C1)C,0.2663
Cc1c(c[nH]n1)C=O,0.2042
OC12CC3C1COC23,0.3023
OCCC(O)CCC#C,0.3135
CC(O)C12CCCC1N2,0.3095
N=COCCC=O,0.2267
c1[nH]c2c(n1)c(n[nH]2)N,0.2175
CC1(C)C2C(O)CC12O,0.3076
O=CC1C2C3C=CC1C23,0.2032
N=C1OCC11CC=CC1,0.2652
CC12COCC(O)C1O2,0.3102
CCN1CC(O)C1=NC,0.236
OC1(CCC11CC1)C=O,0.2252
COCC1COC1=NC,0.273
CCC(C)C1CC(=N)O1,0.2885
OC1CCC1=O,0.2226
C1CC12CC(=CN2)C=O,0.1743
C1OC2CC1C=C2,0.2466
CCOC(=O)C#CC,0.234
FC1=CNC(=N)N=C1,0.1464
COC(C#C)C(C)C#C,0.2884
NC1CCC1(N)C#N,0.2731
CC1=[NH+]C(CN1)C([O-])=O,0.1506
C1CN=C(OC1)NC=O,0.2355
N=C1NN=NC=C1C#C,0.1461
C#CCOc1cnoc1,0.2269
c1c2n(nc1O)CC=C2,0.1796
C1C2C3C4COC13C24,0.3191
CCCC#CC#C,0.2314
O=C1C2C3C(C#N)N2C13,0.2264
CC1(CC(=O)N1)C=O,0.217
CCc1cncnc1N,0.2157
CC1C2CC3=CCC1C23,0.216
COC=NC(C)C#CC,0.2663
CC1(C)CN2CC12,0.3104
C#CC1CC=C2CCC12,0.2442
COC1(CCC1)C#C,0.2888
CC1(N)C=CCOC1=O,0.2444
O=CCC1(CCO1)C=O,0.2045
N#CCN1C2C3CC1C23,0.2567
CC1C2C3N1C3(C)C2C,0.3187
OCC12NCC1(O)C2O,0.2645
CC1(C)C2(O)CC1(O)C2,0.3105
CC12CC3(C)C1COC23,0.322
CN=CNc1[nH]ncn1,0.2165
COC12CCC1C2(C)C,0.3104
CC1(O)C[NH2+]C1C([O-])=O,0.2626
COC1CC(=O)C=C1,0.1901
N#CC12CC3C1CC23,0.3191
OCC1CCOC1,0.3234
O=CC12C3CC1C=CC23,0.2091
CC1(C)OC1C1CCO1,0.3205
OC(CC#C)C#N,0.2835
OC1CC1OCCC#N,0.2696
C(=O)c1[nH]c(c(n1)N)N,0.1554
FC(F)(F)C1CN1,0.3538
[O-]C(=O)C1=CNC(=[NH2+])N1,0.1749
CC12CN1CCOC2,0.3068
OC1C(O)C1C#CC=O,0.1934
CC1CN1C1=NC=NO1,0.2364
CCn1cc(nc1O)O,0.2373
C1COC(=O)NC(=O)N1,0.2735
CC1N2CC2(C#C)C1=O,0.2129
CCC1C(C)C1C(C)O,0.3257
CCOC1CCCCO1,0.3373
CCC12OCC1C2C=O,0.213
Cc1cc(n[nH]1)NC,0.2217
OC(COC=O)CC#C,0.2848
OCC(=O)NCC1CO1,0.275
CC1(CCO)NC1C#N,0.2861
c1c2c([nH]n1)CCO2,0.2205
CC1C2OCC2C1(C)C,0.3142
C1CC23C1CC1C2CC31,0.3493
CCC#CC1CC2NC12,0.2801
O=CC1OC2CCC=C12,0.2089
CC1CC23CCCC12N3,0.305
CN1CC(C)(C#N)C1=O,0.2689
Cc1coc(nc1=O)C,0.2078
CC1=CCC(O)C(=O)C1,0.2128
CCC1CCC1C(C)C,0.356
CC(C#N)C(C)C1CC1,0.3231
C(=N)N(C=N)C(=O)C#N,0.2005
CCc1cc(oc1)CC,0.234
CC([NH3+])C1=COC([O-])=N1,0.236
CC1(O)CC=CC1O,0.2496
CN(C)C(=O)NCC#C,0.2706
CC1NC1(C)C(O)C#C,0.2615
CN(C)C1COC1C=O,0.196
CC(C)C(=O)C(=O)N,0.1759
CCC(C#N)C(F)(F)F,0.3524
N=C1NC=CN=C1C=O,0.1339
NC(C#N)C1=NON=C1,0.2212
CCN1CC1COC=O,0.2331
C1CN2C(=C1)CCC2=O,0.2182
C#CCC1OCCC=C1,0.261
OCC1(C=O)C2CN1C2,0.2118
CC(C=O)C12CCC1N2,0.223
Cc1cnc([nH]1)NC=O,0.193
C1C2CCN=C3OCC123,0.2632
C1C2OC2C2=NC=CN12,0.2308
OCCC1C2CC1C2,0.3433
C(=O)c1noc(=O)o1,0.1924
CN(C=O)C1C2COC12,0.2632
CC1C2COC2C11CN1,0.2978
C1OC2C3OC3CCC12,0.3111
CCCC1(O)CCC1=O,0.2177
O=C1C2NC3C2NC13,0.197
OCCCC12CC1OC2,0.3036
CC1CC2(CO2)C1=O,0.2034
O=CC1C2NC3C2OC13,0.2269
c1ncnc(n1)C#N,0.1995
OCCC(=O)C(O)CO,0.2243
CN1CC1CCCC#C,0.2785
C#CCCC(=O)CC#C,0.2288
CC1CCC2N=COC12,0.2702
O=C1OC2CCNC12,0.248
Cc1cnoc1NC,0.2179
c1c2n(c(n1)O)CCC2,0.2478
OCC1(CC(=O)O1)C=O,0.2147
N#CC12NCC1C1NC21,0.2388
CCC1CC(=O)N1C=N,0.2283
N=C1CN(C=O)C(=O)N1,0.2357
CC1CC2CC(CO1)O2,0.3203
C1C2N1CC1=C2NN=N1,0.2239
CC1OC(=O)C1(O)CO,0.2562
N=C1NC(=N)N=CC=N1,0.1376
CN1C=CC(C)(O)C1=O,0.1986
CCCC1CNC(=O)O1,0.314
CN=C1NCCC(=O)N1,0.2181
CC1(CN1CC#N)C=O,0.2206
OC12C(NC1=N)C2C#C,0.2427
CC12OC(CC1=O)C2O,0.2111
CC1C(OC1=N)C1CO1,0.2909
OC1CNC2(CC2)C1=O,0.2006
CC1CC1(O)C(N)=O,0.2677
CC1NC(=O)N2CCC12,0.2896
N#CC1NC2COC1C2,0.2825
c1cnc(=O)oc1,0.1844
CC1C2CCC1(O)C2O,0.3115
c1cnc(c(=O)nc1)O,0.1763
CC1C2N3CC2(O)C13C,0.3082
CC1C2CC(C#N)C12C,0.2958
C1C=C2C3C4C2C1N34,0.1621
C1C2C1N1CC3C1CN23,0.2746
OC1C2NC1C2C#N,0.2851
CC1C(C=O)C11CCC1,0.2235
CC(=O)C1OCCO1,0.2178
CC1C(C)C11OCC1C,0.2947
CC1(O)CC11CC(O)C1,0.3173
c1nc(c(o1)N)C(=O)N,0.2118
CC1C=C2CC3C1C23C,0.1779
C#CC#CC#CC#N,0.1661
c1c(=O)c(c[nH]c1N)N,0.1852
CC1=C(C(=O)N(C1)C)C,0.2173
CC(C)C1CCC11CO1,0.3296
OC1C2CC1(N2)C#C,0.265
CC1(C)C2CC(O)C12C,0.3146
CCC(=O)C(=N)NC,0.187
C#CC1(CC1)NCC#N,0.2566
CC1CC=C(CO)CO1,0.2621
CC12CC(=O)C3CC1C23,0.2238
N=C1NC(=O)OC=N1,0.2173
CCN(C)c1cc[nH]n1,0.2166
N=C1C=CC=NOC1=O,0.1756
CC(O)C(C)(O)CC=O,0.2204
O=C1C2CC2C2NC12,0.2031
CCNCc1ncco1,0.2316
OCC(=O)C1C2CC1O2,0.2074
CC1C2C(O)C2(O)C1C,0.3005
CC1=CC(OCC1)C#N,0.2594
CCOC1CC2CN2C1,0.3015
O=CC1C2CC(=O)C1O2,0.193
NCC1(CCCN1)C#N,0.276
CCC1(CO)CC1OC,0.299
OC1CC=CC2COC12,0.2537
OCC12CC3C=CC1C23,0.2343
CC1CC2(CC2)C2OC12,0.346
CC1OC(=O)C1(O)C#C,0.2441
CN(CC#N)CC(=O)N,0.2496
C#CC1=CC(=O)COC1,0.1605
CC(=O)N1CC2(C1)CC2,0.2667
[NH3+]CCC(C#C)C([O-])=O,0.2734
N=COCC1NC1C=O,0.2218
CC#CC(=O)C#CCO,0.1898
c1c(onc1O)CN,0.2441
OC1CCC(CC=O)C1,0.2277
CC1C(NC=O)C1C#C,0.2663
CC(C=O)(C=O)C#C,0.2075
c1cc(c(c(c1)O)N)N,0.2116
C1C2C1C1OC1C1OC21,0.3284
CC#CCC1CCC1O,0.3016
COC1CN(C1)CC#C,0.2599
C(=N)(C(=O)NC(=N)N)N,0.1801
c1coc2c1CC=CC2,0.2307
OC1CC11OCC1C=O,0.2062
CCC1CCC11CC1O,0.3256
CC12CC(C1)N(C2)C=O,0.2708
CC1=CCCC1,0.2608
C#CCOCCC#N,0.2891
CC1CC2(CO)CC12,0.322
O=CC1C2COC1C=C2,0.2157
CC1CNC1C(=O)C#N,0.1656
NC1=NCC2NC2C1=O,0.1759
CN=C1OCOC1CO,0.2732
c1c([nH]c(=O)c(n1)N)N,0.1598
CCN(C)c1[nH]ncn1,0.2415
CC1C(O)CN(C)C1=O,0.2719
CCC1CC(C)(O)C1O,0.3025
OC1C2CCC1N2C=O,0.2607
Cc1c(cn[nH]1)CC#N,0.2555
C(CC=O)CC(=O)CO,0.2213
c1c(nc(o1)CN)O,0.2204
COCCC(O)C#N,0.2749
CC12C=CCC1C2C=O,0.2111
OC1=NC(=N)N=NN1,0.1814
CC1OC1C1CC(C)C1,0.3372
O=C1C=CC2N3CC12C3,0.1549
C1CC12CN=C(C2=O)N,0.1865
CC#CC(C=O)C1CN1,0.2151
OC12CCC1(O)C1NC21,0.2916
CC1NC(C#C)C1=O,0.2118
CC1(CO1)C(=O)C=O,0.149
CC(CC=O)OC=O,0.2245
CCC12CC1CC(C)O2,0.3119
CN(C)C(=O)C#CC#C,0.192
c1c2c(noc2on1)N,0.2265
OC12CCC3CC1OC23,0.3274
CC1(O)C2CC=CC12C,0.2439
COC1CC2C(C)CC12,0.3201
CC1C2C3C4N2C1C34O,0.2854
NC(=O)C1OC1CC#N,0.2582
CC#CC1(O)CC1C,0.2686
CC(C)OC(=O)C(C)N,0.2501
c1cnn2c1C=CC2,0.1901
CC12OC(C1O)C2=NO,0.2504
C1CC11OCC11CCO1,0.2958
OC12CC1C1(CO1)C2,0.3287
CC(C)CN(C)C=O,0.2716
CCC(O)C#CCC#N,0.2855
CC12C3C4C1C2(O)CN34,0.2863
COC1OCCCC1=O,0.2128
CC1C2OC=NC12C=O,0.2168
CC#CCNC(=O)C=O,0.1728
NC1=CC(=O)NC1C#C,0.2202
CC1OC2CCC12C#C,0.2753
CC(CO)C(C)CO,0.3347
CC12C3CN1C3C21CO1,0.3089
CC1CNC1=O,0.2825
Cn1cc(nn1)C#N,0.242
CC1C2CC1(C)C(C)O2,0.3109
OC12CC1C1CN1C2,0.2917
CCC1CC(O)C1C=O,0.2227
N#CC12CCC1C1CN21,0.2563
CC1CC2CC2C1CO,0.3343
C1CC1C12NC1CC=C2,0.2379
CC1OC=NC1(C)C=O,0.2147
CCNC(=N)C(=O)C=O,0.1113
CC1OC2CC3(C)C2C13,0.3245
N=C1CCC(CC#C)O1,0.2824
CC1CCOC(=O)C1,0.2719
CC1=CCCCC1,0.2614
N=C1CN2CC2CO1,0.261
C1COCCOC=N1,0.2583
c1nc2c(o1)nno2,0.1919
CCOC1CC2NC12,0.3076
C#Cc1c(cn[nH]1)N,0.1877
Cc1c(c(n[nH]1)C)N,0.2328
CC12CC34C=CC(C13)C24,0.2202
CC#CC(=N)NC(=O)C,0.2164
CC1CC1C1COC1C,0.3233
CC(=O)C1CC2(CO2)C1,0.2316
CC1C2C1C1(C)COC21,0.3068
CN1C2CC1C2=NO,0.2517
CC1(COC1C=O)C=O,0.2082
OC1C2CC3C(C2)C13O,0.3005
C(C#CC(=O)N)O,0.2366
CCC1CCNC(=O)O1,0.3071
C#CC1(CC2CN12)C#C,0.2483
OCC1C2CC=CC1O2,0.2348
OC1CC2(O)CC12O,0.2938
CCC12CC3C(C1)C3C2,0.3415
CCCC(C)OC,0.3341
CC12C3CC(CC13)C2=O,0.2256
C1CC1C1COCC=C1,0.2645
CC1(C)CC1(O)C=O,0.2173
CC1CCOC1CC=O,0.2238
CC(=N)N(CCO)C=O,0.2209
OCC1CC2C3CC3C12,0.3085
C1CC23OC(C=C2)C3O1,0.2309
CCNC(COC)C#N,0.2671
COC1CC1([NH3+])C([O-])=O,0.2676
COC1CC2C(C)C12O,0.3284
CC(C)C(C)(CO)C#C,0.3114
CC1CC(C1C)C(N)=O,0.2709
C1CC23CC=CC2OC13,0.2468
O=C1C2NC=NC1C=C2,0.2013
c1c(c([nH]c1N)O)C#N,0.2098
Cc1c(cnc(n1)F)N,0.1855
CNC1C2NC2(C)C1=O,0.1992
CN(C)c1n[nH]nn1,0.198
CN1CCC1(C#N)C#N,0.2349
c1cn2c(c1C=O)CC2,0.1993
CC12CN1C(C2)C#N,0.2703
CC1=C(C)C2C3OC2C13,0.2216
COC1CC(C1)C#N,0.2949
CCC1(O)CCN2CC12,0.2915
CC1C2CC3(O)C2OC13,0.3024
COC12CN3C(C=C1)C23,0.224
OC1CC1C1OCC=C1,0.2524
C1CC(C1)(C=O)C2CC2,0.2251
N=C1NCCCC(=O)N1,0.2203
CN1C2C3C4C3C2(C)C14,0.3035
CNC(=O)N(C=N)C=O,0.2253
CC(CCO)C(C)(C)C,0.3355
CCC1CC2(C)C(C)C12,0.32
OC1C2CC1C(=C2)C#N,0.201
CC#CC(C#C)C1CO1,0.2831
OC12CC(C1)(C2)C#C,0.2961
CC(C)[NH2+]CC([O-])=O,0.2671
CN1CC1C1CCC1=O,0.2045
CCC12CC3C4C3C1C24,0.3045
OC1COC(OC1)C=O,0.2251
OC1C2CC1(O)C1OC21,0.3145
COc1c([nH]c(=O)o1)N,0.2388
CC#CC(=O)CC1CC1,0.2013
CCCC1(CC=O)CO1,0.2229
C(=O)C(C=O)(C=O)C=O,0.1946
CC(C)C1C2C3CC1C23,0.326
c1coc(c1C#N)CO,0.2161
CC1C2CC3CC3(O)C12,0.3226
O=CC12CCC1C1OC21,0.2172
OCC1C(O)CC11CN1,0.2919
CC1=CC2OC1C2C#C,0.2268
Cn1c(noc1=O)C=O,0.1682
Cc1[nH]c(=O)ccn1,0.1957
CCC1(C)CC(O1)C#N,0.2791
c1(c(nc([nH]1)O)N)N,0.2337
CC1C2CN2C11COC1,0.306
C#CC1COCCO1,0.2696
COC(C#C)C1NC1C,0.2781
CC1CC(C=O)C1C=O,0.2043
OCC1=CC(=N)OCC1,0.2139
NC1(CC2CN2C1)C#N,0.264
CCCC(=O)OC,0.2869
C1OC11CCCCOC1,0.3148
C#CCC1CC1N1CC1,0.2977
CN=c1cc[nH]nc1N,0.1709
N#CCCOCC1CN1,0.2859
CC1C2OC2CC1C=O,0.2246
CC12CC1C1(C)CC1C2,0.321
C(C1CN1)C1=CN=CO1,0.2422
O=C1C2OC3C2CCC13,0.2086
CC12CCC(C1)CC=C2,0.2615
Cc1c(nccn1)N,0.1894
CCC1CC2(CC2)C=C1,0.2448
C1CC=CCC(=NO)C1,0.2432
CC1CC11CC2NC12,0.306
CCC#CCCC(=O)N,0.2682
OCC(CC1CO1)C#N,0.3055
N#CC12CC1N1CC21,0.2515
C1CCC(C1)CCCO,0.342
COc1cc(ncn1)N,0.2231
COC(CO)CC#N,0.3048
CC1=C(F)N=NNC1=N,0.1627
CC1OC11CNC(=O)C1,0.2747
CC1(O)C(O)C1C1CC1,0.297
C1OC23CC(C4NC24)C13,0.2863
CC1(C)OCCC1C#C,0.2918
CCCc1c(c[nH]n1)N,0.2262
CC12OC1C=CC2O,0.2379
CCN1CC1C#CCO,0.2482
C#CC1C2CC1C1OC21,0.2971
OC12CC(C1)N=COC2,0.2686
ON=C1CN=CN2CC12,0.2288
CC1(CC(C1)N2CC2)C,0.3107
CC1OCOCC11CO1,0.3293
CC12CN1CC1NC21,0.2922
CC1(C=O)C2OC1C=C2,0.2153
CC1C(=O)CC11CN1C,0.2097
CN(C=N)c1ccon1,0.2062
CCC12NC3C1NC23,0.2873
O=C1CC2CCC1C2,0.2228
c1cnoc1OCCO,0.2378
COC12CC1N1CC21C,0.2856
OC1(COC=N)COC1,0.2627
CCC1CC1(CC)C=O,0.2261
CCC1(C)CCC1=O,0.2163
CC(O)C#CCCC#C,0.2859
N=C1ON=C(O1)C1CC1,0.2356
OCC1(O)CC11CCC1,0.2969
COC1CCC=C1C,0.2597
CC12NC1C(O)CC2=O,0.2186
NC1=NNC=C(O)C1=N,0.1628
CCC1(C)OCOC1C,0.3236
c1nc(on1)CCCO,0.2536
C#Cc1ncno1,0.2143
CC1C=CC2OC(=O)C12,0.2575
CC12CC1C=CC2O,0.2394
COC(=O)NC(C)C#N,0.2952
CN1C2CCCC2C1=O,0.2757
CCC1CC(C)(O)C1C,0.3202
CC12OC(=N)C1(C)C2O,0.2674
CC1C2CC1C2(C)C=O,0.2227
NC1=[NH+]CC(N1)C([O-])=O,0.2534
CC(C)CNC(=N)C=O,0.1662
CC(=N)OCC1COC1,0.2753
OC1CCC1OC=N,0.2708
COC1C2COC(=N)C12,0.2696
CC12NC1C=C1COC21,0.2269
OCCC1(CCO1)C#N,0.2775
CCCC1C2C3CC1N23,0.3123
CC1(C)CC(O)C(O)C1,0.2957
Cc1ccc(c(n1)O)F,0.206
OC12CCC3CC1C23O,0.282
OCC1(CC1O)C#N,0.2735
CC12CC(O1)C(=O)CC2,0.2097
CCC(C)OC(=O)CO,0.2746
CNC(=O)NC(=N)C#C,0.1993
CCC1=CC(=O)OC1,0.226
NC1=NOC(=N)N=C1,0.1473
CC(C)(C)n1cncn1,0.2725
Cc1c(c(c[nH]1)N)C#N,0.197
C1CC11C=C2CN3C2C13,0.1656
[NH3+]CC1=N[N-]N=CC1=O,0.1978
N=COC(=O)CC=O,0.224
OC1C2CC3OC1C23O,0.2996
NC(=O)C#CC(O)C#N,0.2298
CC12CN=CN1C2CO,0.2368
C1CCC(CC1)CCO,0.3406
CC1N=C(N)OC1C#N,0.2468
CC(CC#C)OC1CC1,0.302
C1C2CC3CC2C1O3,0.3241
CN=COC(C)C#N,0.2686
OC12CCC3C1OC23,0.3073
CC1CC=CCC(C)O1,0.2523
C1CC23CC(OC=N2)C13,0.2399
CC1CCC(=O)C2CC12,0.2257
C1CC=C(C(=O)C1)C#N,0.182
CC12COC(CCC1)O2,0.3263
OC1CC1C1=NON=N1,0.1853
CC12CC3(CC1C23)C=O,0.2191
CNC1(CC1C#C)C#N,0.2401
CC1CCC2C(O)C12O,0.3081
C#Cc1cc(=O)cc[nH]1,0.1729
CC12CN1C1C2NC1=O,0.2507
CC(=O)COCC#N,0.2352
CCCC#CCCO,0.3003
CC1C2C(C#N)C2C1C,0.3112
CC(C=O)C1=NC=CN1,0.1958
OCC12C3CC1C(=O)N23,0.2511
CC12OCC1(N)C2C#N,0.2658
O=C1NC2CC3C2N13,0.2667
CCC#CC(CC)OC,0.2939
Cc1cncn1CC#N,0.2286
c1c(c(c(o1)N)CO)N,0.2116
CN=C(c1cnco1)N,0.203
C1C2OCC3N=COC123,0.2527
O=CNCC#CC1CO1,0.2603
c1c(=O)nnoc(=O)n1,0.1587
CC#CCC1C2CC1O2,0.2907
CN=CN(C)C(=N)OC,0.2322
OCC1OC(=N)N2CC12,0.2844
C1C2CN3N=CN=C3N12,0.2515
C1C2OC3C4COC12C34,0.3056
CCCC1OC=NC1C,0.2692
CC1(CC#N)NCC1=O,0.2113
C#Cc1c[nH]c(n1)C=O,0.171
OC1C2NC=NC12C#N,0.2399
OC1C=CC2C3CN3C12,0.2295
COC1(COC1)C(=O)N,0.2586
CCOC(=O)CC1CO1,0.2828
N=C1OC=NC(=N)C=N1,0.1862
O=C1CC2CCC(C2)O1,0.2716
CC12OC1CNCC2=O,0.1942
c1ccc(c(c1)CO)F,0.2336
CC1=NC(N)=CC(=N)O1,0.1729
[NH3+]CC1=COC([O-])=C1,0.2285
OC12CCC3C4C1N4C23,0.3017
C1CC(=O)C(=C1N)C=O,0.1761
OC1C2C3CC2C13,0.323
CC1C2C(O)C3(CC3)N12,0.294
CC12CN3C1C1OC1C23,0.293
OC(C#C)C(C=O)C#N,0.2203
OC1CC2CC1CC2=O,0.2234
OCC1C=CC(=O)C1=O,0.1397
C1C2CC1C1=CN=CN21,0.2447
CC1(N)C2COC12C#N,0.2489
OC1CCC2(O)CC2C1,0.3219
CC#CC(C)C1COC1,0.2976
CN=C1C(=O)C=CN1C,0.142
Cc1c([nH]c(n1)C#C)O,0.1881
CCCC1OC1CC#C,0.31
c1c(ocn1)OC(=O)N,0.2445
CCC1(O)C2COCC12,0.3131
OCC1CC=CCO1,0.2676
CC1=C2NC3C2C3C1=O,0.149
Cc1c(nn[nH]1)C,0.2436
CCC1(C)CC=CC1O,0.2602
CCCCc1cnco1,0.2419
CC1OC2(C)CC=CC12,0.2582
CN1C(=N)OC=C1CO,0.2174
OC1C2CC3CC2C1O3,0.3158
OC1CC2OC3C2CC13,0.3124
CC#CC(O)C(C)CO,0.2873
CCC(C)COCC#N,0.2923
NC(=O)C1OCC1C=O,0.1891
CC(CO)C(=O)C1CO1,0.2193
CC12C3OC1CCC23O,0.2836
c1cc2ncccn2c1,0.1569
CC12CC3(C)CCN1C23,0.3159
O=C1CC=CC2CCC12,0.2163
CCN1CCC1=O,0.2791
CC1COCCC2OC12,0.3302
CC1(CN1)C1=NCCO1,0.2625
C(C#CCO)O,0.2807
CC1C(O)C(O)C1C#C,0.2824
C1C2N=C3OCC=C3C12,0.2
C1C2OC3CCCC12O3,0.3183
C1CC(=O)C=C1CC=O,0.1788
NC12CC1OC2=N,0.2629
CC1CC(C1)=NO,0.2496
N=C1NCC2=C1ON=C2,0.1976
C#CCCC1CC1C#C,0.2898
NC1=CN=C(N1)OC=N,0.2097
O=C1C2C3CC1OCC23,0.2113
C1C2NC3C1OC23,0.3034
NC1C2CNC12C#N,0.2328
OCC(O)C(O)C#C,0.2895
CC(=O)C#CCO,0.2092
c1c(nc(n1C=O)N)N,0.1589
c1c(c(nc(=O)o1)F)F,0.1855
NC(=O)C(C=O)C1CN1,0.1996
c1(nc(=O)[nH]nn1)N,0.173
CC1CCC1C(C)=NO,0.2524
CC1C2C3C4C(CN14)N23,0.2712
CC(C)C(C)(C)C1CC1,0.3471
OC12C=CC3C(C=C1)C23,0.2373
CN(C)CC1(CC1)C#N,0.2608
Cc1c(ocnc1=O)N,0.1979
COC(=O)C(=O)CCO,0.1823
OC1C2CC1N2CC#C,0.2684
O=C1CC2C3CC2C3C1,0.2203
N#CC12CC1OCOC2,0.2953
CC(C=O)C1(CO1)C=O,0.2186
Cc1cc([nH]c1C#N)C,0.2032
CC1(C)OCOC1=N,0.2895
CCn1c(c(cn1)O)O,0.239
CC(OC=N)C=O,0.2245
C#CC1CC1C#N,0.2756
COC1C(C)COC1=O,0.2491
CCC[NH+](C)CC([O-])=O,0.2639
CNc1c[nH]cnc1=O,0.1839
CC12CC1CCNC2=O,0.2611
CC1C2C3CC3(C)CN12,0.3027
CC1(C=C(CO1)C=O)C,0.1826
C(C(=O)CO)C(=O)N,0.2167
CC12OC1C(CO)C2=O,0.2112
CCCCCCN1CC1,0.3185
CNC1(C#C)C2CC1O2,0.2681
CN1C2CC1C(=O)C2=O,0.144
CC1CC11CCCCO1,0.324
C1CC12COCOC=N2,0.2561
COC(CO)CC#C,0.2963
OC12CC3C(C13)C21CN1,0.2871
COC1C2C(C)CC12C,0.3165
c1cc(=O)[nH]ccc1=O,0.1675
CC(C)C#CCC1CO1,0.2968
O=C1C2C3C4NC1C4N23,0.2046
CN(C=O)c1ncon1,0.224
OC12C3C=CN(C13)C2=N,0.2112
c1cocc(c1=O)F,0.2017
COCC1OC2CC2O1,0.3188
c1nnn(n1)CC#N,0.2596
CC1C2C3N2C(=O)C13C,0.2482
O=CC1OCC=C1C#N,0.1844
OC1CC(O)C1NC=O,0.2723
Cc1c2c(n[nH]1)CCO2,0.2199
c1noc(=O)n1C(=N)N,0.2356
O=C1NCCC(O1)C#C,0.2743
c1[nH]nc(n1)OCCO,0.249
C#CC1NC1(C#C)C#N,0.2434
CC1CC(CC(N)=O)C1,0.2778
CC1=CCC(CO)OC1,0.2621
CCC1(CN=CO1)C#C,0.2702
CC(C)N=C1COCO1,0.275
COC(CC1CO1)C=O,0.2129
CC12C3CC1C(=O)NC23,0.2577
Cc1cnc(nn1)OC,0.1665
COC1CNC1(C)C#N,0.2678
C1C23COC12CCOC3,0.2966
CC1OC2CC1C21CO1,0.3142
CC(C)(C)COC1CC1,0.3229
CC1(C)CN2CC1(O)C2,0.2853
CCC1C=CCOC1=O,0.2594
CNc1ccoc(=O)c1,0.1862
CCCc1nnon1,0.2456
Cc1c(ncc(n1)N)N,0.1638
NC1=CC(=N)N=C(F)N1,0.2072
CC1[NH2+]C(C1C)C([O-])=O,0.2646
CC1OCOCC(C)=C1,0.2551
O=C1OC2CC1C2C#N,0.2621
CC1CC(C)C1CC#C,0.3129
CC12NC1C1CCC21C,0.2964
O=C1CNC2CN(C2)C1,0.19
OC1CC2CN=COC12,0.2734
CC12C=CCC3OC1C23,0.2365
C1C2C3C4CC2C1C34,0.3559
OCCC12CC(C1)CO2,0.3185
O=CN1CC2CC1C=C2,0.2323
CCCC1C2CC1(C)O2,0.3125
C(CC(=O)N)C#N,0.2794
CC1CC(=O)C(C)C1O,0.2223
OCC1C2C(CN12)C#N,0.2764
COC1C2CC1(O)C2O,0.3165
CCCC(C)NC(N)=O,0.3003
CCCC1CC2CC1O2,0.3329
CC(=O)c1ccccn1,0.1803
CC([NH3+])C1=NOC([O-])=N1,0.1869
O=COC1CCC1C#C,0.2695
c1c(nc(o1)C(=O)N)N,0.176
C#CC1OC2COCC12,0.2672
CNC(C)=[NH+]CC([O-])=O,0.2505
NC(=NCC1CN1)C#N,0.2205
CCNC1=CC(=O)NC1,0.2157
CCOCC12CCC1N2,0.3361
CC1=NC(CO)C(=N)N1,0.2271
CC1=C(CCCN1)C=O,0.1838
CC1CCC(C1)C(C)=O,0.2335
OC1CC11CC2CC12,0.3043
CC#CC12CC1(C)CO2,0.2403
CCC1C(=O)CC11CN1,0.2134
OC(CC#CC=O)C#N,0.2037
CCC1OCC2OCC12,0.3244
C1C2CC3CC(C3)C12,0.3368
OCC1CC2OC12C#C,0.2627
O=COC(C=O)C#C,0.2191
CN1N=CN=C(O)C1=N,0.1623
CC1CC(=O)C11CC1O,0.2167
COC12CN=C3NC1C23,0.1778
CC1N2C=NCC2C1=O,0.2035
CCC1C(O)C1(O)C#C,0.2512
C#CC1(CC=CC1)C#C,0.2641
CC12CC(C1)OC(=N)O2,0.2936
NC(C#N)C1=CC=NO1,0.2325
CCN1C=NCC1=O,0.2286
CC1CN1CC1(C)CO1,0.3106
c1cncc(c1O)C#N,0.2116
C#CC1CCC=CC=C1,0.1921
OC1CN2CC2C(=O)C1,0.2143
C#CCOC1C2CC1O2,0.2675
CC12OC(=O)C3CC1C23,0.2695
Cc1cnoc1C2CC2,0.2266
CN1CC11C2CC1OC2,0.3077
C#Cc1c(cno1)N,0.1786
C1CC2C3OC(C1)C23,0.3084
c1coc2c1c(no2)N,0.2311
CN=C(CO)N(C)C=O,0.2256
CC1(CCNC=O)CO1,0.2806
N=C1CCC(CO1)C#N,0.2762
CC(C)CN=CNC=O,0.2323
CC1C2CC(C#N)C12,0.3052
CCCC1(CO)CCO1,0.3249
CC12OC1CCC2O,0.3299
CC1(O)C(NC1=O)C=O,0.22
CC(=O)CC(O)C1CN1,0.2057
CC1C2NC2(C)C1(C)O,0.2962
CC12CN(CC1)C2C=O,0.2006
CC1C(N1C=O)C(C)=O,0.2107
NC1C(O)C1C#N,0.2619
C1COC(=O)NCC1=O,0.2119
O=C1C2CCC=CC1N2,0.2108
CC1C2CC1([NH2+]2)C([O-])=O,0.2182
CCC(=O)C1OCC1O,0.2173
CC(CO)C1CN2CC12,0.3031
CCC(C(C)O)C(C)O,0.3189
OCC1CC2CC1CO2,0.3121
CC1CN1CCC1CC1,0.3116
CC1(OCOC1=N)C#N,0.2761
CC(=NO)C(=O)N(C)C,0.2115
CC(C#N)C(O)CC#N,0.3084
O=C1CC2C3C4C3N2C14,0.2092
Cc1cc(ncc1F)C,0.2196
OCC1(CO1)C1CO1,0.3354
c1cc(cc(c1)F)C#N,0.2083
CC(=O)C12NC1C1OC21,0.2014
N1C=NC23C1C1C2OC31,0.2364
COC1C2CC2(C)C1O,0.3154
CCN(C)C(C#N)C#N,0.2348
OC1CC11C2NC2C1=O,0.2165
N=C1COCC(O1)C#N,0.2694
C1C=CC2CC=CCC12,0.2596
CC(C=O)N1CCC1,0.2039
CC1(C)C2CC=CC12O,0.238
CC(O)C1(CO1)C=O,0.2176
OCC(COC=N)C#C,0.2643
c1c(cncc1F)N,0.1992
CC1OCC1CC1CC1,0.325
CCCN1CC1C#CC,0.2611
CC12CC3C4C1C4C23C,0.3173
O=C1C=CCC2COC12,0.1741
CCC(=O)C#C,0.2087
c1cc(oc1)CNC=O,0.2333
O=C1CN2C3C4OC13C24,0.1972
NC1=NOC(F)=CC1=N,0.189
CCC12CC(N1)C2=O,0.2468
O=C1OC2CC1C1CC21,0.2698
CC(O)(CO)CC1CO1,0.315
O=C1CCC1C#CC#C,0.2009
Cn1cnc(n1)CC#N,0.2669
CC(O)C1CN(C)C1=O,0.2747
CC1(C)CCCC1C=O,0.2245
OC12C3OC1C3NC2=O,0.238
N#CC1CC=CC11CC1,0.2482
CN=C(C1CC1)NC=O,0.2221
c1nc2c(o1)C(=O)NC2,0.2191
O=C1NCCC2CC1C2,0.2568
C(C#CC1CC1)C1CN1,0.2792
CC1CC2(CCO2)C1=O,0.196
O=CN1CC1C(=O)C=O,0.1429
CCN1CC2OCC12C,0.2765
CC1(CO)CC1(N)C#N,0.2756
COC12CC=C3CC1C23,0.1826
C1OC1C1CC2OC2C1,0.3468
CC1CCC(C#C)C1=O,0.2149
c1c(c(c[nH]1)N)N,0.2348
C1C2C3CC4OC(C23)C14,0.3159
Cc1cccc(=O)nc1,0.1712
O=CC12CC(C1)(N2)C#C,0.2125
CC1C(O)C2CC12CO,0.3125
CCC1(C)CC1(O)C=O,0.2171
CC1=CC2OC1C2C#N,0.2261
CC12CC1C(=O)C2C#N,0.23
CC1C(=O)NC=C1C,0.2098
CC1(C)NC1(C)C=O,0.2138
C#CCC12CC1CCC2,0.3105
CC#CC12CC(C)C1N2,0.2692
OCC12CC(=O)CC1N2,0.2223
CC1NC1C1=NC=CN1,0.2417
CNC1C(CO)OC1=N,0.2517
c1c[nH]c(=O)ncc1=O,0.1616
C1C(=O)C(N1)(C#N)C#N,0.2168
CC1=C(C(=O)NC1)C=O,0.1701
CN1C2C=CC1C21CN1,0.2197
CCC12CC1C(C)OC2,0.3344
CC(=O)C(C)(C)C#C,0.2283
ON=C1CC(O)(C1)C#N,0.2433
CC1(C=CCOC1=O)C,0.2648
CC#CCC#CCC#N,0.2721
COC=NCCOC=N,0.2587
CC1CCC(=C1)C#N,0.2196
CN(C1CCC1)C(=O)N,0.2876
CCC1=CCOC12CC2,0.2257
CC(CCOC=O)C#C,0.2765
CCC(=O)OCC#N,0.2866
CC1OCC=C(C)C1C,0.2615
C1C2(CN1CC=O)CO2,0.2043
N=C1CNC2CC2CO1,0.26
CC1COC(CC=O)O1,0.2291
CC12NC1COC21CC1,0.2924
CNc1cccnc1,0.1912
CC1=NC2CC2(C)CO1,0.2489
CC(C)(C)CCC#C,0.3144
CN1CC2(C)CN2C1=O,0.2767
OCC#CC1CCC1O,0.2725
OCC(C1CN1)C1CO1,0.3058
C1CC1CN=CNC=O,0.2319
CCN1CC1C(=O)CO,0.2027
CC#CC1NC11COC1,0.2695
NCC1(CO1)C#N,0.2636
CC(O)C1CC1NC=O,0.2762
CCC(C)CC(C)=NO,0.2549
CCc1cnc(cn1)C,0.1953
OC1C2OC3COC1C23,0.3019
O=C1CCCOC1C#N,0.2073
OCC12OC1CC2C#C,0.2938
Cc1ccc([nH]1)CCO,0.2342
C#CC1(CC1)C2CCC2,0.2932
c1c([nH]cn1)C2COC2,0.2455
CCC(CC)NCC#N,0.2653
CC12COC1C2C#C,0.2781
CCCC1CC(C)C=C1,0.2612
CC(O)C1CC1OC=N,0.2809
N=C1OC(=O)NC2CC12,0.259
CNC(=[NH2+])C#CC([O-])=O,0.1249
CCn1cc(c(c1)N)N,0.2259
CC1=CC2CC(O)C1O2,0.2517
CC1C2CC3OC1CC23,0.3213
CCC(=O)C(=O)C(C)C,0.1555
CC1C=C2C3C4C3C2C14,0.1626
CC12COC(O1)C=C2,0.2457
CCOC(=N)C1(C)CO1,0.2726
Cc1c2c([nH]n1)nno2,0.1948
c1cc(nc(c1N)N)O,0.1842
CCCC1C2OC1C2=O,0.2458
CCC#CC12CN1CC2,0.2502
CC1=CCC(C1)NC=O,0.2608
COC(C)COC(C)=N,0.2864
N#CC1CC(O1)C1CN1,0.2496
N=C1CC2OCC2CO1,0.2767
C1OC2C3C4C2C1N34,0.3154
CCc1cncc(n1)C,0.1954
OC1C2NC1C2CC#N,0.2939
CCC(C)(CC)C(=O)C,0.2275
C#CC12CC(C1)CC2,0.3011
CC12COC11CC2CC1,0.293
CC1OCC(=O)OC1C,0.2631
c1c2c([nH]cn2)ncn1,0.2045
CC1(CC1)C(C)(C)O,0.3251
CCNc1cnoc1C,0.201
CC12OC3CC1C23CO,0.2801
CC(C)C1(C)CC1(C)O,0.3153
OC12CC1NC2C=O,0.2006
OC12CC3C1C1CN3C21,0.2866
CCC1CCCC1C=O,0.2258
CC12CC3C4CC4C1N23,0.2988
CC(=O)OC(CO)C#N,0.2783
C1CCN(C=CC1)C=O,0.2177
CC1CN(C1C)C(N)=O,0.289
CC1(O)C2COC(=O)C12,0.2685
CC12OC3C1C=CC23C,0.2239
CCOC(C#N)C#N,0.2766
C#Cc1ncon1,0.2249
Cc1ccc[nH]1,0.243
CC(C)CC(C)C(C)C,0.372
Cc1c(c(oc1C)C)C,0.2273
OC1CC2(CN2)C2OC12,0.3059
C#CCc1c[nH]cn1,0.2533
O=C1CC2OCOCC12,0.2225
C#Cc1cccc(c1)F,0.2007
O=CNC1=NCC2NC12,0.2194
CC12C3CC3N1CC2O,0.2742
O=C1OCC11OC1C#C,0.2497
OC12C3C1C1OCC3C21,0.3027
OC1C2NC2C=CC1=O,0.1871
CC1=NCC(=N)N1,0.2301
CC1C2OC3CC3C12C,0.3182
CC1C=CC2C1OC2=O,0.2466
CC1CN1C1CCC1C,0.2989
C1CC1C(=O)NC=O,0.2192
CC(C)C(=O)NC1CC1,0.2703
OC12CCC1=CCC2=O,0.2107
C1CCC2(C1)CO2,0.3329
CC12CC3CC(C1)C23O,0.3034
CCOC(=O)CC(=O)C,0.2275
CC#CC(C)COC=O,0.2645
CN1C2C3CN=C1C23O,0.1594
CC(C)(C)C(=O)CO,0.2295
C1C(=CC(=O)CN1)CO,0.1673
CC1(CNC(=O)C1)C=O,0.2113
OC1C2C1C1(CN21)C=O,0.1933
CC1CC(CO1)C=O,0.2235
OC1C2OCC3CC2C13,0.3169
CCC1C2CC3C2OC13,0.313
CC12COCC1(C)O2,0.3298
OC1CC2(CCC12)C#C,0.285
CC1COC1C1CN1,0.314
C1CN1CCC(=O)C=O,0.1443
CC12OC1CNC2C#N,0.2713
CC1CC=CC=CCO1,0.2028
CC1C2CN3CC2(O)C13,0.2909
CCC1C2C1C(O)C2O,0.3046
Cc1cc(c(=O)[nH]c1)C,0.1764
CC1(C)OC(C=C1)C#C,0.2533
CC1COC(C=O)=N1,0.1865
CC1OC1C1OC1C#N,0.2732
CCC12CC=CC1CO2,0.2603
OCC1CC2(CC2)C1O,0.3038
COC1COC1(C)C#N,0.283
CCC(O)C1OC1C,0.3246
Cn1c(noc1=O)N,0.2576
N#CC1CCCCOC1,0.3011
CC1C(O)C11COC1=N,0.2799
CC12CC(C1)C(=C2)C#N,0.1992
[NH3+]C(CC([O-])=O)C#C,0.2642
CCCCN=C(C=O)N,0.1829
C1NC1C1=CN=CN=N1,0.1662
CCc1c[nH]nc1O,0.2456
c1cnc(nc1C=O)O,0.1737
C(=Nc1c(n[nH]n1)O)N,0.1845
O=COC1CCCC=C1,0.2595
C#CCC12C3CC1OC23,0.281
COCC(C)(O)CC=O,0.2255
CC1(C)OC=NC1CO,0.2628
CC12CCCC1CCO2,0.3215
COCCC1CC(C)O1,0.3337
N#CC12CC3CC3C1O2,0.2839
C(CO)N=C(C(=O)N)N,0.2161
CC(=O)C12NC1CC=C2,0.2192
CC#CC1(CN1)C(C)C,0.2707
COCC1(C)OC1C,0.337
OCC1C2C3C2C1C3O,0.3155
CCN1CC=CC(=O)C1,0.1715
C1C2C3COC3CN12,0.3044
OCC1C2OCC(=O)C12,0.2205
N=COC1C2C3CN2C13,0.2638
C1CC23CCC2C=CC13,0.2532
CC12C(O)CC1OC2=O,0.2679
C1CNC(=O)C1=O,0.1725
CC1C2CC(O)C1CO2,0.3129
[NH3+]CC1=NC(=O)C=N[N-]1,0.183
CC[NH2+]C(C)CC([O-])=O,0.2774
O=CC12OC3CC1C23,0.2107
CC#CCOC(=O)C,0.2708
COC1(CC1)C(C)O,0.3125
CC1(CC(=O)CCO1)C,0.2243
c1[nH]nc(n1)NC=N,0.2244
CC1=CC(=O)OC1=NC,0.1913
COCC(O)CC(N)=O,0.2768
OC1CCC(=O)COC1,0.2161
CC1CC2C1CNC2=O,0.2686
c1[nH]c(c(n1)O)CCO,0.2241
CC1(COC1)C(C)(C)O,0.292
O=C(C#C)C1CNC1=O,0.1939
OC1CC=C2C=CCC12,0.1943
OC1CC2(O)CC(=O)C12,0.218
CC(=O)C1(C)CC1C#C,0.2247
C1C2C3OC4CC3C2C14,0.3232
CC1(CC1C#N)C1CO1,0.3066
CC(C)(C#CC=O)C#N,0.2036
NC(=[NH2+])C1=CC(=O)[CH-]N1,0.083
C1C2OC3CCOC3C12,0.3217
CC1CN1C(=N)NC=O,0.2271
CC1OC2C3CC1C23C,0.3122
COC(C)=NC(C)C#N,0.2738
CCC12CC1(O)CC2=O,0.2278
c1c([nH]c(n1)O)C=O,0.1815
C#Cc1cnoc1,0.2179
CC1C2OCC(=N)OC12,0.2673
COCC12OC3C1NC23,0.2967
CC#Cc1cnccn1,0.1869
CC(=O)C1(O)COC1=N,0.2157
O=CC1CN1CC#N,0.2135
[NH3+]C1CC(=O)[N-]C1C#N,0.199
CC12CCC3OC1(C)C23,0.3049
CC(CC#N)NCC=O,0.2165
CC#CC1(C)CC=CC1,0.2658
CC1C2(O)C3CN3C12C,0.2833
CC1CN(C)CC(=O)O1,0.2468
CC1(OC11COC1)C#N,0.2645
CC1C=CC2(OC12)C#N,0.2378
CC1C2NC3C2OC13C,0.3
CC1CC(C)C(O1)C=O,0.2193
Cn1cc(cc1N)CO,0.2317
COCC1OCC1=O,0.2254
N=C1OCC2=C1N=CO2,0.2234
ON=C1CC2COC1C2,0.2465
CC1=CCC(=O)CC=C1,0.2055
c1c(cn[nH]1)C#CC#N,0.1961
C1CC(=O)CC(=O)C=C1,0.179
CCCC1(CN1C)C=O,0.215
CC1(CC(=O)CO1)C#N,0.2205
ON=C1C(O)C2CC12O,0.2385
COC1CCCC1=O,0.2003
C#CC1=CCCCC1,0.2127
OCCCC12CCC1N2,0.3273
CCC1=CCC2NC12,0.2464
CCC#CC1(CC1)O,0.2715
CN1CC11CC2CC1O2,0.3128
C1CC1CC2(CC2)C=O,0.2266
OC1C2CC1C(O)C=C2,0.2439
OC1C2COC2C11CC1,0.3014
O=CC1C2C1C1CC2O1,0.2266
OCC1C2CNC(=O)N12,0.277
CC#CC1(C)CCC1=O,0.2057
CC(C)N=C1C=CCO1,0.2065
CC1=C2COC2CC1,0.2387
OC(C#C)C(=N)N1CC1,0.2561
C1CC2OCCC3C1C23,0.31
CC1C=CCCC(C)=C1,0.2505
CN1CC11CC2OC12C,0.3161
CCc1c(ocn1)C=O,0.1937
CCOC1COC1C,0.3219
OC12C3COC1C(=O)C23,0.2151
OC1C2CC11CCC1O2,0.2927
CC1(CO1)C1=NCCO1,0.2545
CC(C)C(O)C1(C)CN1,0.288
CN=C1CC2OCC2O1,0.2731
C1C(=NO)C2(N1)COC2,0.2285
CCOCC1CN1C,0.3053
O=C1NC2CC1C2,0.2598
CCC(CC)C1(CC1)O,0.2997
COCCC(O)C(N)=O,0.2699
CC1C(O)C(C)C11CN1,0.2971
CC12C3C1C1CC3C2O1,0.34
COC=NC1CC=CC1,0.256
CCCC#CC(O)CC,0.286
OCC1CCC(=O)CO1,0.2126
CNC1=NC=CC(=N)O1,0.1811
CC12CN(CC1)C2C#N,0.2547
c1nc(on1)NC2CC2,0.241
OCCC1(CCN1)C#N,0.2621
C#CC1COCC=CC1,0.2531
CCC(COC)C=O,0.2281
NC1(CO)CC1(O)C#N,0.2707
OC12CN3C(C13)C2=O,0.228
CCC1(CN1)C#CC,0.2821
C#CCC1(CC1)NC=O,0.2726
C#CC1C2NC2C2NC12,0.2826
CC1CC1(C)CC#C,0.3101
CC1C2OC1C1C(O)C21,0.3065
Cc1c(=O)[nH]cc(n1)N,0.1439
Cc1c(nc(cn1)O)O,0.189
NC(=O)C1C2NC1C2=O,0.2338
C(=O)c1c(oc(=O)[nH]1)N,0.1678
COC1CC=CC1C#N,0.2649
CC12CC3CC1COC23,0.3177
CC1OC(C)C1C#C,0.2891
CC1CN2CC(=NO)C12,0.219
CC(=O)OC1CC2NC12,0.2542
c1cnc(cc1F)C#N,0.2175
CC12NC1(C#C)C1OC21,0.2738
CC1CC2C(O1)C2C#C,0.2707
CCC(CC=O)OC=N,0.2223
OCCOC1COC1=N,0.2717
N#CCC1NCC2OC12,0.2722
COCC12CC1(O)CC2,0.2865
CC(N=CNC=O)C#C,0.2328
CCC1(CO)CNC1=O,0.2783
CC(=O)C1NC11COC1,0.2214
CNC1(CC1C#N)C#C,0.235
COC1OCCN=C1N,0.2476
CC([NH3+])(C1CC1)C([O-])=O,0.2704
COC12CC1CC(=O)C2,0.2222
CN1C2C1C1(C)CCC21,0.2964
O=CC12COC1C1OC21,0.2172
CC(=O)C1=CC2CN2C1,0.1737
c1c(n[nH]c1N(=O)=O)N,0.1399
CC1C(C)C1CC(N)=O,0.2728
CC(C)C12OC1C1NC21,0.2779
C(CC#CCCO)CO,0.3024
CC1N2CCC12C=O,0.2095
CC12CC3C(C1)C23,0.3349
Cc1ccoc1C(=O)C,0.1896
CC1CCC1CC#C,0.3145
CCC12C3C4C3C1(O)C24,0.2885
C1CC(C1)(CCO)O,0.3221
CC12CC3C4C1C4(O)C23,0.3056
CC12C3C1C1(O)C3C21C,0.2789
CCCC1OC(=O)C1C,0.2812
CC1C[NH+](CC([O-])=O)C1,0.264
CC(=O)Nc1c[nH]cn1,0.2199
OC1CN(CC=O)C1=N,0.1963
CC1(C)OCC2CC1C2,0.3205
CC1NC(=O)C(=O)C1C,0.1714
C1C=CC2CC1CC=C2,0.2379
CC1C2CN3C2C1C3=O,0.2251
CC1(C#N)C2COCC12,0.3006
CCC(C)OC(=N)OC,0.314
OCCOC1CCOC1,0.3221
C#CCNc1ccon1,0.2275
CN=C1OC(C)=CN=C1,0.1511
CC(=O)C1NC1C#N,0.2198
NC1=CN=C2C(O)CN12,0.2237
[O-]C(=O)C1C[NH2+]CC=C1,0.1587
CCC(C)C(=O)C=O,0.1541
O=CC1=C2CN3C(C1)C23,0.1436
CC12C=CC3C(C=C1)C23,0.233
OC1CC1(C#C)C1CO1,0.2848
CC12C3NC3C3C1CN23,0.2977
O=CC1CCC(=C1)C#C,0.1948
CC(C)(C=O)C1CC1O,0.2245
CC1=C2CC3C(C1)C23O,0.1694
CC1C2C3C=CC2C13,0.226
CCC(C)(C)C1CO1,0.3388
CC1C(C)(N)C1(O)C#N,0.271
c1c2n(cn1)CC=C2,0.182
CC12C3C4OC1C4N23,0.3035
OC12CC3CC1(C#C)C23,0.2642
CC#CCNC=O,0.2722
C1c2c(nn[nH]2)NC1=O,0.2056
CCNCc1ncon1,0.2031
COC1CC2C3CC3C12,0.3044
CC1OCC2CC1O2,0.3208
CCC(C)CO,0.3408
OC12C3OC1C3C21NC1,0.3041
CC1CC2C3CC2C1C3,0.3652
OC1COCC2CC12,0.3107
CCc1ccc([nH]1)CC,0.2323
COC1CCCC1C=O,0.2256
OC12CC3CC1C2O3,0.2942
NC1=NC2C(O)C2CO1,0.2646
CC1C(N1C)C(C)(C)O,0.3129
CC#CCOC(=N)C#N,0.2103
Cc1c([nH]cnc1=O)N,0.203
OCC1CNC(=O)C1,0.275
C#CC12CCC1CC2,0.2843
CCC1(CN1C=O)CC,0.2546
CN1CC2CC2NC1=O,0.2867
OCC1=CNCC1=NO,0.1777
CC1C2(O)CC1(C2)C#C,0.2945
CC(CO)CCC#C,0.3157
CC12CC1(CC#N)OC2,0.2722
CCN=C(C#C)NC=O,0.1965
CCC(CC#C)N1CC1,0.2844
CCCn1ccc(c1)O,0.2306
C1C2C3CC1OCOC23,0.3195
C1CN1C1CC=CC1,0.2606
CC1CC1NC(=O)CO,0.2695
CC1C2CC1(C2)N1CC1,0.3167
CC12OCC1CC2O,0.3074
COCC(CCO)C=O,0.2282
CC1(O)C2CC1C2CO,0.3216
CCC#CCC(=O)N,0.2682
CCC1C(CC#N)N1C,0.2634
CC1CC2CC1(N2)C#N,0.2645
OC(C=O)C1OCC=C1,0.2046
COC1C2CC1C1OC21,0.3316
CCCC12CC1CCC2,0.3379
Cc1cn[nH]c1C(=O)C,0.1955
CC1COC(C)OC1,0.338
CC1OC(=O)C1(C)C,0.2803
C1C=C2CN=CN2C1=O,0.1929
CC1CC=C2C=CCC12,0.193
CC1=CC(C#N)C(O)C1,0.2597
COC1CC2CC(C1)O2,0.3169
C#CC12CC3C(O1)C23,0.2524
NC(=O)C12COC1C2O,0.2571
OC1CN2CC3C2C13O,0.2813
N#CC1OCC11CCO1,0.2637
CC12CC1C(C)(C)OC2,0.3281
C#CC1COCC11CC1,0.2942
OC(C#C)C(C#C)C#N,0.2811
OCC(CC#C)C1CC1,0.2923
CC1C2C(CC12C)C#N,0.2988
NC(N)=[NH+]CCC([O-])=O,0.2577
O=C1CCN2CCN=C12,0.1624
OCC12OCC1C2O,0.2929
COCCC1CC1(C)O,0.3242
C#CC1OCCN2CC12,0.2528
c1[nH]c2c(n1)OC(=O)C2,0.2069
Cc1c(oc(n1)NC)C,0.2273
OC(C#N)C1=COC=C1,0.237
C1C2C3OC2C13,0.3099
CC(C#CC#C)C1CO1,0.2295
CC(CO)CC1CCO1,0.3198
OC12C3C4C5C3C1C5C24,0.2913
N=C1N=CN=CN1C=O,0.1645
c1c(oc(=O)nc1O)N,0.2034
COC12CC3OC1C23O,0.2791
CCC1=C(C)CC2OC12,0.2368
CC#CC(=NO)C(C)O,0.2019
CC(=O)CC(CO)C#N,0.2362
CC1CCOC1CCO,0.3203
Cc1cc([nH]c1C)N,0.229
CN1C2C(O)C1C2C#N,0.2585
c1c(coc(=O)n1)F,0.1705
CCC12CC(C1)CO2,0.3202
C1C2C1C1COC3C2C13,0.2994
C1OC2C1C1COC2C1,0.3131
OC1C2CC1(O)C(=O)O2,0.2691
O=CCCC(=O)C1CN1,0.221
C#Cc1c(nc([nH]1)N)O,0.1918
C1CC=C(C1)CC=O,0.2078
O=CNC1C=CNC1=O,0.2095
C#Cc1nc(on1)CO,0.2222
CCC1=C(CNC1=O)C,0.223
O=C1CCC1CCC#C,0.2194
CCC1NCC1=NO,0.2333
CC1COCC(CO)O1,0.3213
CC(O)C(CO)NC=O,0.276
CCC(CNC=O)C#N,0.2784
C1CC11C2CC1CCC2,0.3463
CC(C)C1CCC1O,0.3261
CC1(CO)CCC11CO1,0.3242
CC(C)CC#CCCO,0.3015
CC12CN3C1C2C3=O,0.2436
N#CC12OC1C1CCC21,0.2683
Cc1c(nc([nH]1)O)N,0.2275
OCC1CC(C=O)C=C1,0.2162
CC1(C)CC(O)C11CN1,0.3021
NCC1(C#N)C(O)C1O,0.259
OCC1(C#C)C2CC1C2,0.2949
CC12OC(=O)C1(O)C2O,0.2539
CC1C2OCC(C)C12O,0.2886
N=C1NCC11COCO1,0.2616
OC1(C=CNC1=N)C#C,0.2021
OCC1=C2CCC2CC1,0.2412
CC1C2CC(O)C12,0.3214
CCC1OC1CC1CC1,0.3501
O=CC1CCCN1C=O,0.2027
OCC12CC3C1C3(O)C2,0.3067
OCCC1CC1(O)C=O,0.2211
CC1N2CCCC12C=O,0.2122
CC12C3C4C3C(=O)C1C24,0.208
CC12COCC1(O2)C#N,0.2724
O1C=C2C=CN=C2C=N1,0.1599
CC1C=CC2(C)CC1C2,0.2524
CC1C2COCC12C#N,0.2935
CC1(C)CC1OCC#N,0.276
CC(O)C1OCCC1=O,0.2115
OC1(C#C)C2C3C1CN23,0.2641
O=C1OCC2CCC1O2,0.2555
N=C1OC2C3CC1OC23,0.259
CNc1c(=O)occn1,0.1629
CN1CC1CC(N)C#N,0.256
CC1C(C#C)C(O)C1=O,0.2082
OC1CC2C(CC=O)C12,0.2248
O=CC1CC2CCC1O2,0.2238
CC(CC1CO1)C#N,0.3174
Cc1c(non1)N=CN,0.2016
OC1COC2=NOC=C12,0.2375
CC1OC1C(C)(C)C#N,0.308
OC1CN(C=O)C=C1,0.2106
CC1C2C(O)C2NC1=O,0.2645
CC1N2CC2(C)C11CN1,0.3025
Cc1c[nH]c(c1O)OC,0.2318
OCC12CCC1OC2,0.2976
CC1N2CC(C)C12C#C,0.2448
N#CC12CC1CC2,0.2885
OC1C2CC1C1CCC21,0.3169
C1NC11CC2C3CC1N23,0.3061
CC(C)(CNC=O)OC,0.2831
COC1(CCC1)CC#N,0.2943
CC1(O)C2CC2C11CN1,0.3003
CCN1CC1(C=O)C#C,0.1961
O=CNC1C=CCC1=O,0.2156
CC#CCCOC,0.305
CC12CC3C1C(C2)C3=O,0.2201
CC1CCN(C=O)C=C1,0.2127
OC12CC1C1(CO1)CC2,0.3287
OCC1=CC2(CN2)CC1,0.2358
c1nc(c2n1CC2)C#N,0.2309
c1(c(non1)N(=O)=O)N,0.1566
c1(nc(=O)onn1)N,0.1688
Cc1c[nH]c(c1C)NC,0.238
OC1C2OC1C2CC=O,0.2255
OC1=NC=NC(=N)C=C1,0.1697
N#CC1OC=NC2CC12,0.2528
NC1=C(F)C(=N)N=CN1,0.1874
N=COCC1(CC1)C#N,0.2796
OC12CC1CC2NC=O,0.2528
O=CC1C2CCC1CC2,0.2263
CC(COC1CC1)C#N,0.2987
COC1(CO)C(O)C1O,0.2737
C1CC1C12OC3C1CC23,0.3084
OC1=COC(=N1)C1CO1,0.2064
CN1CC(C(N)=O)C1=O,0.259
CCOCC1CCC=C1,0.264
COc1cc([nH]c1O)O,0.2297
COCCC1C2CCC12,0.3356
CC1C2CC2OC1(C)C,0.3013
O=CCC1=CC2OC2C1,0.2066
CCC(C)CCCCO,0.3422
c1c(cc(cc1O)O)N,0.2259
COC1C2C1C(C)C2C,0.3231
N=CN1CCNC1=O,0.2432
NC(=[NH2+])C1=COC=C1[O-],0.1827
CC12CC(O1)C2CC#N,0.2896
CN=COC1CCC=C1,0.2466
NC1(COC1=N)C#N,0.2567
C1OC23CC(C=C2)C13,0.2324
CCC12OC1C=CC2O,0.2368
Cc1cc(oc1)NC=N,0.1973
CC1(CCC=O)CCO1,0.229
CC1(O)C(O)C1CC#C,0.2911
CCC1(C)CC(C1)C=O,0.224
O=C1CNC2CCC2N1,0.259
CCC1C2OC1C21CO1,0.3181
C#CC1(COC1=O)C#C,0.2566
OC1C2CN(C=O)C12,0.2556
O=CC1C=CC2OC12,0.21
CCC12OCC1CC2C,0.3053
COC(C)C(O)C(C)=O,0.2372
C1C2C3CC4(CO4)C3N12,0.2793
Cn1cc(cc1CO)N,0.2163
OC1(C#C)C2CCOC12,0.2631
CCC1OCC(C)C1O,0.3032
C1OC11COCC2CC12,0.3169
CC1=CC2CC1(CO)O2,0.2356
Cc1c2c(c[nH]1)COC2,0.2344
C#CCCC1CCOC1,0.2954
OC(C=O)C1(CO1)C#N,0.2296
CCC1NC1C1CCO1,0.3105
C#CCOC1CC2CC12,0.2841
O=C1C2CC1OC(=O)N2,0.1952
CC1=C(OC=N)ON=N1,0.2033
CN=C1OC2C=CCC12,0.2417
CC1CN2CCC12C#N,0.24
C#CC(=O)c1ccoc1,0.1803
c1c([nH]nn1)CCO,0.2531
CC1=C(C)C=CC(=N)O1,0.1643
C[NH2+]CC(=O)C([O-])=O,0.1768
O=COC1C2CN2C1=O,0.2275
Cc1cn(cnc1=O)C,0.2077
O=CNCC1COC=N1,0.257
c1c2c([nH]c1O)nno2,0.1849
NC1(CC#N)C(O)C1O,0.2737
CCC(C)C1CC(=O)N1,0.2818
CCN1CCC1(C)C#N,0.2605
C1C2OCC3(CCC3)C12,0.3122
C1COC(=O)N1,0.3152
CCNc1nc(on1)C,0.2221
CCN1CC1C(N)C#N,0.2533
C1CC23OC4CC12CC34,0.2993
OC(C#N)(C#N)C1CN1,0.2339
CCCCC1(CC1)C=O,0.2329
COC1C(C)OC1C#C,0.272
CC12CN3C1CC(O)C23,0.2911
NC(=O)C1(CC#C)CN1,0.2638
NC1C2N=CNC=NC12,0.2007
CC12OC1C(C=O)C=C2,0.2093
c1c2c(ncn1)NCC2,0.203
CC12CC(N1)C(=C2)C#N,0.1951
CC(C)OCC1(CC1)O,0.3168
OCC1C2C3CN3C12,0.2842
OC12CC3C1OCC23O,0.2933
OC1C2OC2CC1C#C,0.2901
N=C1OCC11CC1,0.2819
COc1c(n[nH]c1O)N,0.2525
CC1N(C)C1(C)CC#N,0.2666
O=CC1NC2=NCCC12,0.1898
CC1OC(=N)NC1C=O,0.1909
CC1CN2N=C(O)N=C12,0.2427
C1CC2C3OC3C2O1,0.3084
O=C1C2C=CC3C2N13,0.2094
CC(C)C1COC(C)C1,0.3181
Cc1cnc(o1)C(C)C,0.2367
CC1C(=O)CCC=C1C,0.2239
CC1CC(=O)C1(C)C=O,0.1967
OC1C(=O)COC1=O,0.2122
Cc1cnc(c(=O)[nH]1)C,0.1715
N=C(C#N)N1C2CCC12,0.2026
c1c(noc1C=O)C=O,0.1764
CCC1CC(N1)C#N,0.2653
OC12CC3C4C1CC2N34,0.2918
CC1(O)C=CC(O)C1=O,0.207
CC1(CCC1)C(=O)CO,0.2355
CCCn1cncc1C,0.2454
CC(O)(CO)CC#N,0.3076
CCn1c(ncn1)CO,0.2556
N=C1OC2CC2C1C#N,0.2716
CNC1(C#N)C(N)C1N,0.2482
CCNc1ccn(c1)C,0.2167
C#CC1OCCC1C#N,0.2972
CC#CC1C2NC2C1=O,0.2037
Cc1nc(nc(n1)O)N,0.2319
COCC(O)C(C)(C)C,0.3226
N#CC1CC2(CO2)C1,0.3058
CC(C#CCO)C1CC1,0.2826
CC1CCOC1(C)CO,0.3179
CCC(O)C1NC1C#C,0.277
CCC1N(C)C1(C)C=O,0.2101
CN=C1OC=CC(N)=N1,0.1734
CC1C2C(O)C1C2C#N,0.2983
CC12CN3C4C(C14)C23,0.2948
c1c(n[nH]c(=O)n1)N,0.1475
CC1C2COC(O2)C1=O,0.211
CCC12COC1C=CC2,0.2516
CCC1CC(O)C1C#C,0.2919
COCC#CCOC=N,0.2744
C1CC2COCC(C2)O1,0.2999
CC(=O)N(CCO)C=O,0.2342
CC(=O)C(CCO)C#N,0.2304
CC1=CC(O)=NC(=N)O1,0.1809
O=CCCC12CC(C1)O2,0.2213
CN=C1OCC11CO1,0.2612
CCC1COC(C1)C#N,0.297
CC(C)OC1CNC1=O,0.257
CC1CC=CC=C(C)C1,0.1895
Cc1cccc(=O)cc1,0.1562
c1c2c(c([nH]1)O)[nH]cn2,0.1914
Cc1c([nH]c(n1)NC)O,0.2243
CCC(CC)(CO)C=O,0.2225
CCC1(CC1O)C1CC1,0.3275
N=C1NC(CC#N)=CO1,0.2096
N#CC1C2CCC3C2N13,0.2569
N=C1C=NNN=CC1=N,0.1681
CCn1c(ncc1O)C,0.2372
CC1(C=CC(=NC)O1)C,0.2012
CCC12CC(O)(C1)C2=O,0.2453
O=C1CC2CC3C(N1)C23,0.2655
NC(=O)C1C2CC1C2,0.2653
COC1(C)CNC(=O)C1,0.2754
CCc1nc(c(o1)C)C,0.2325
CC12C=CC3CC1C23,0.2373
CCC1OC1CCC#N,0.3113
OC1CC2CCC(C2)C1,0.3286
CC1(CO)CC1(O)C#N,0.2913
NC1(C#C)C2OC=NC12,0.2421
CC(C)C(C)C(=O)C=O,0.1535
COCC1C2CC(=O)N12,0.2354
CN(C=O)C(=N)CC#N,0.2318
N#CC1CC2CC(C2)O1,0.2883
CCCC1CC(N1)C#N,0.2653
OCC12CN3C(CC1)C23,0.2878
O=CC1(NC1C#N)C#C,0.2172
C#Cc1c(c([nH]n1)O)N,0.2143
CCC12CC1C(C)C2C,0.3199
CCOCC1(C)CC1O,0.2963
COC1COC2CC2C1,0.3023
CC12COC(C1)CC=C2,0.2566
C#CC1OC1(C#C)C#N,0.2408
CC(=O)COC(=N)C#C,0.2191
CC1C2(C)CC2C11CO1,0.3245
OC1COC(=NC1)C#N,0.2279
CC1CC23OCC2OC13,0.2818
CC1(C#C)C2OC(=N)C12,0.2481
OC1(CCC2CC12)C=O,0.2249
O=CCC12NC1C1NC21,0.1805
OC1C2OC(C#N)C12,0.2461
CC1COC(=O)C(=N)N1,0.196
c1c(cncn1)CC#N,0.2079
CC(C#N)C1=CCCC1,0.2527
CCC(NC=O)C(C)=O,0.222
CN=C1NN=CC(O)=C1,0.154
OCC[NH2+]CC([O-])=O,0.269
C#CC(=N)NC(=O)CO,0.2029
CC12OCOC1(C)C2O,0.2955
CC1CC(=O)C(=O)C1O,0.1439
COC1OC=NC1C#C,0.2703
OC1C2CC1(O)C21CO1,0.3135
CC1(C)C2CC(O)CN12,0.2819
CC(=O)C#CCC1CO1,0.2078
CC(=O)N1CC1C1CN1,0.2513
COC1CC1(CO)C#C,0.2759
OC1CC1C1=COC=C1,0.2357
OCC1OC1C(O)C#C,0.2822
NC(=O)OC12CC1CC2,0.3074
CC(C#C)C1CC1,0.3126
OC1CC2CC12C1CO1,0.3187
C#CC#CC1CCCO1,0.225
CC1CC(=N)OC1C#N,0.2823
CC(OC1CC1)C(N)=O,0.2657
O=CC12CC(COC1)N2,0.2017
C1CC1(CO)NCC#N,0.274
CC(=O)OC=NCCO,0.2297
O=C1NC2CC3COC123,0.251
CC1(CC#N)CC2OC12,0.2971
CC1CC(CO)CC1=O,0.2221
OC1C2CC2CNC1=O,0.2486
Cc1cnc(cn1)NC,0.1741
NC(=O)C(C=O)C1CO1,0.2096
CN1C=NC(=N)C(F)=C1,0.1901
CC#CC1C2CC1C2=O,0.2452
COC12CC1(C)C(O)C2,0.321
O=C1CCCCC2CC12,0.2255
NC(=O)CC1NCC1=O,0.2008
c1c(c(=O)c(co1)O)O,0.1843
CC(C=O)(C#N)C1CC1,0.2225
OC12C3CC1C=CC2O3,0.2348
NC1=COC2=C1N=NO2,0.1251
CC(O)C1CCOC1C,0.3034
CCC1=CCC(O)C1=O,0.1944
OCC12CC1C1(O)CC21,0.2761
CC1CC=CC11CO1,0.2509
CC1CC2=CC=C(C)N12,0.2388
COc1c(cn[nH]1)C#N,0.2384
O=CNC1CC2OC2C1,0.2828
NC(=O)C1=CC2CC2C1,0.2094
O=C1NCC1CC1CC1,0.2809
CCC1C2C3CC2N13,0.3142
CCC(C)C#CCC#C,0.2886
CC(C=O)(C=O)N1CC1,0.1806
CCCOC(=O)C(=O)N,0.206
CC12CN(C1)C1CC1O2,0.2934
CCC(O)CN1CC1C,0.3018
C#Cc1ncnc(n1)F,0.2056
CC#CC(CC#C)C#N,0.2798
N#CCC12CC1CC2,0.3021
OC1C2C=C3COC3C12,0.2196
CC1(C)CC1(O)C#N,0.2921
CCCC(=O)C1(C)CN1,0.2304
OC1CC(O)C(C1)C#N,0.3058
O=CC1CC2CC(C2)C1,0.2278
Cn1c(cnn1)CO,0.2512
C1COCCC(=C1)CO,0.2498
CNC(=O)COC=O,0.2641
N=COC1C2NC2C1=O,0.2018
CC1OC11C2CC2C1O,0.3034
OC1CC=CCC2OC12,0.2663
OC(C#C)C1=NON=C1,0.2375
CCN=c1ccnc[nH]1,0.174
N=C1OC2CC2C11CO1,0.2534
CC1C2C3C2N1C3C#N,0.2711
OCC1NC=NC1C#C,0.248
CNC1C(N)C1(C)C#N,0.2721
OC1CC1CC#CC#C,0.2305
CC12CC(=NO)C1CO2,0.2424
Cc1c(cc([nH]1)N)OC,0.219
CC1(COCCO)CN1,0.317
CC1C(CO)C1(C)C#N,0.3068
CC(C)C1C2COCC12,0.3216
CC1NC11C2C3OC2C13,0.3051
OC1C2C=CCCC12O,0.2405
C(#N)C(C#N)N,0.2758
CN(C=O)C(=O)C1CN1,0.2249
CCC1(C)OC(C)C1=O,0.2186
CCC1C(C)OC1=N,0.2888
CC1=CC2CC1OCC2,0.2496
Cc1cnccn1,0.1969
CCN1CC1C(=O)C#C,0.168
OCCN=C1NCC1O,0.2517
c1c2n(c(=O)o1)CC=C2,0.1698
CCOCC1OC1C,0.3391
N#CC1OCC=C1,0.2543
CCC1C2C(O)C1C2O,0.3171
CC12C=CC3(C)CC1N23,0.2181
CN1C2CC3C2C13C=O,0.1948
CCC(CC)(CC)C#N,0.35
C1CC1NC(C#N)C#N,0.2397
N=COCCOCC=O,0.2265
C#CC1OC1C1CCO1,0.269
c1cc2n(c1)CCC2=O,0.1917
CC1N2CC1(C2)C#C,0.2752
CC#CC(C)(C)C(C)C,0.3061
CC1C2C3CC3(C)N12,0.3102
CCc1ncc(=O)[nH]n1,0.1668
CC1OCCC1C#N,0.2956
CC1C(OC=O)C1(C)O,0.2595
CC(C1CC1)C(N)=O,0.2751
Cc1cn(c(c1N)O)C,0.2348
CCc1cc(cnc1)O,0.2094
CC1C(C)C2(O)CC12O,0.2927
C(CO)N(C=O)C(=N)N,0.2367
CC#Cc1noc(=O)o1,0.2101
C1CC2OCCOCC12,0.3172
O=CC#CC1NCC1=O,0.1957
C(C#CC#CC#N)C#N,0.1937
COC12C3CC1(O)CC23,0.2941
NC(C#N)C12CC1CC2,0.2739
N#CCC#CC1CCO1,0.2636
Cn1cc(nc1O)O,0.2372
C1CC2(C1=O)COC2,0.2095
OC12C3C4C3C1C24,0.2916
Cn1c(c(nn1)O)OC,0.2169
CC1CC=CCC1O,0.2666
C1CC12CC(C2)(C#N)O,0.2949
C1C(CO1)(CO)C=O,0.2154
c1c(nnn1C(=O)N)O,0.1973
CC1=NOC(=N)C(O)=C1,0.1773
Cc1nnc2n1nn[nH]2,0.1937
OCCC12CN1CCC2,0.3059
C1CC2CN3C1C3CO2,0.2833
CC(CC#C)N(C)C=O,0.2728
C1N2CCC12C1CCO1,0.3128
CC12C3C4C=C1CC2N34,0.1768
CC1C(C)C1(C)NC=O,0.2729
c1c(oc(n1)O)N2CC2,0.2343
COCC1=CC2CC2C1,0.2443
OC(C#N)C1COC1=N,0.2797
CC1C2OC2(C=O)C1O,0.2132
CC12CCC1C1CC21,0.3197
N#CC12CC3NC1C3O2,0.2504
CCC12CC(=O)N1C2C,0.2344
O=C1CC2C(C3CC3)C12,0.2296
CC1CCC(OC=O)O1,0.2779
c1c(c(c[nH]1)C#N)C#N,0.2235
CC1(COC1)C2CC2,0.3232
C1CC1COC(=O)C#N,0.2395
CCOC(CC)C(C)=O,0.2185
CC1(CCC1)CC=O,0.2245
OC12CN3C1CC23C=O,0.2088
NC(=O)C12C3C4C3N1C24,0.2335
Cc1cc(ncc1N)F,0.1915
CC1C2C(C1C)N2C=O,0.2439
NC1(CC2(O)CC12)C#N,0.295
C1C2C3C1C21OCOC31,0.318
OCC12CCC(N1)C2=O,0.2283
COC1C(=O)CC1(C)O,0.1998
N#CC1C2CN1CCO2,0.2513
CCc1c(cno1)N,0.2084
CC1(C)C=CCC1C=O,0.2189
c1c(c[nH]c1CC#N)O,0.2203
CN1C2CC(O)C12C,0.2941
CC#CC#CCC(=O)C,0.212
Cc1nnc2n1cno2,0.2077
c1c(c(coc1=O)F)F,0.1785
CN1C2C3C(C=O)C2C13,0.199
COCC(=N)OCC=O,0.2211
C1OC11CCOCC=C1,0.2487
Cc1c([nH]c(n1)O)OC,0.2478
CC(O)C(NC=O)C=O,0.2168
OCC1(CC1)C(O)C#C,0.2998
CC(C)(C(=O)NC=O)N,0.2115
CC1C(=NO)C2NC12C,0.2358
C1CC1CCO,0.3424
CCOC1(CC1O)C=O,0.2181
CC12CC1(O)C(=O)OC2,0.2591
CC12CCC1C2NC=O,0.2686
CCC1OCC1O,0.306
C(c1c(nc(o1)N)O)O,0.2198
O=C1C=CC2(CN2)C1=O,0.1373
Cc1c(cc[nH]1)OC=O,0.2178
OC1CCN2C3CC1C23,0.3088
CCOC(=N)CC(C)O,0.2871
CC(C)C1OCC=C1C,0.2487
C1C2CC3CC12CCO3,0.3159
C1CC1N=COCCO,0.2516
N#CCN1C2C3CC2C13,0.2639
C[NH2+]C(CO)C([O-])=O,0.2613
CC12CCN1C(=O)CC2,0.2561
c1c2c(n[nH]1)CCC=C2,0.2029
Cc1c(ocn1)CC#N,0.2393
CN1C2CC(C2)C1C#N,0.2582
CC1C=CC=C(C)C=C1,0.1784
CC1C2OC1C2OC=N,0.2699
CC1=CCc2n1cnc2,0.2052
COC12CC1C(O)C=C2,0.238
Cn1cc2c(n1)onn2,0.1946
COC(C)CC1CC1,0.3347
COC(C)CCC#CC,0.302
C1OC2CC3NC3C12,0.3016
N#CC1CCCN2CC12,0.2686
CC1N2CC(C)C12CO,0.304
CC1OCOC11COC1,0.3201
CC(C)C12CC(=O)C1O2,0.2165
C1C2OC2C2=C1NN=C2,0.2455
CC1(C)CC1C(O)C=O,0.2245
CCC12C3CN(C13)C2C,0.3006
CC1CC(CO1)C1CC1,0.3299
CC1CC(C)CC(C)C1,0.3698
OC1=C(O)C(=N)OC=N1,0.1623
CC1C(CC=O)C1(C)O,0.2251
CC(CC#N)C1COC1,0.2852
CCCC1(C)CC(=O)N1,0.2831
C#CCN1CC2OCC12,0.2591
C1CC2=NCC(=O)N2C1,0.2294
O=C1NC2C(C3CC3)C12,0.2496
OCC(O)C1(CN1)C#C,0.2818
C1C(CO1)(CCO)C#N,0.2867
CC1=CC(=O)C(C)(O)C1,0.1888
CC1(CC1)C(C)(C)C=O,0.2245
CC(C)C(C)C1COC1,0.3108
CC(O)C12C3C4C3N1C24,0.2801
CC#CC1(COC1)CO,0.2866
OCC#CC1CCO1,0.2681
OC1CNC(=O)C(O)C1,0.2627
C1CN(C=CC1=O)C=O,0.1842
CCC12CC(CO)(C1)O2,0.3183
NC(=O)C1COC1=N,0.2602
C1C2CCC11OCCC21,0.3198
OC(C#C)C1=NOC=N1,0.2446
CN1C(=N)OC=C1C,0.2204
C(#N)c1c(c(n[nH]1)O)N,0.1803
CC(O)C#C,0.3001
C1CC1COC(=O)C=O,0.1809
CCC1(C)C2CN2C1=O,0.2299
C#CC#Cc1[nH]ccn1,0.1718
CCc1c([nH]cn1)C=O,0.1902
Cn1c(ccn1)C2CC2,0.2502
CNC(=O)CC1CN1,0.2746
C1C(CN1C=O)O,0.2654
C1CN1C1CCC=CC1,0.262
COCC(=O)NCC=O,0.2183
CC(C)n1cc(nc1)O,0.228
c1cocc1C#N,0.224
N#CC12CC3C(C=C1)N23,0.2168
c1nnc2n1nc([nH]2)O,0.2498
OCC(=O)C1COCO1,0.2275
C#CC1CN2CC2CO1,0.2525
OCC1CC(=O)C1C#C,0.2155
CC(CCO)C(O)C#C,0.2938
NC(=O)CC12CC1CC2,0.2695
NC1=C(O)C(=N)OC=N1,0.1588
COC1OC(=O)C=C1,0.2194
CN1C2C1C1(O)COC21,0.2778
CC(=O)CC1(CO1)C=O,0.2232
OC1CC(OC1=N)C#C,0.2827
OC1COC2C3CC12N3,0.2995
CCC12C3C4C1C2(C)N34,0.2783
[NH3+]CC1=N[N-]C=NC1=O,0.1795
CC1CC1C1=CNC=C1,0.2476
CC1C(CC#C)C1(C)O,0.298
CC1=CCOC(=NC1)C,0.2313
OCC12OCC1C1OC21,0.2929
COCC1OCC(C)O1,0.3298
CC12CC1OC2(C)C=O,0.2059
C1CN2C3COCC23C1,0.3056
C#CC(CC#N)C1CN1,0.2688
CC1=CCCCC1(C)O,0.2582
CCC(C)(CC#C)C#C,0.2947
CCC1(O)C2C3CC2C13,0.3218
CCn1cc(nc1)C,0.2486
CC1(C)C2N=COC12C,0.2506
CCCN1N=COC1=N,0.2153
CCC12CC3C=CC1N23,0.2135
OC1CCN2N=CC=C12,0.2553
CC1CC(C)C1C(C)=O,0.2216
c1(=O)c(noc(n1)N)F,0.1986
C1CC23OC4C2OC34C1,0.2826
COCC1CC1(C)C#N,0.3007
C1CN1CCOC=O,0.269
NC1=NNN=C(N)C1=N,0.1515
C[NH2+]CC1=C([O-])OC=N1,0.1552
OC(C#N)C1=CN=CN1,0.2309
c1coc2n1ncn2,0.2374
Cc1nc(c(=O)[nH]n1)F,0.1791
O=CCN1C2CC1C2=O,0.2258
CC1C2CC(C2)C11CC1,0.3488
CCCOC(CN)C#N,0.2698
[NH3+]CCC1=C([O-])ON=C1,0.2316
O=COCC(C=O)C#C,0.2208
Cc1c(cno1)N(C)C,0.2208
O=CC1CC2C1CC2=O,0.2077
CCc1nc(cn1C)C,0.2403
CC1C2CCC12OC=O,0.2671
N#CC12CCC=C1CN2,0.2335
CCC12CC(O1)C2C#N,0.2777
CC1(C)C2CCC12C#C,0.2651
CC(O)(CCO)C1CN1,0.2799
OC1CCCCCC1O,0.311
O=CC1C2CN1CC2=O,0.1868
OC1CN(CC2CN2)C1,0.3011
CC1OC(C)(C)C11CN1,0.3095
Cc1c(nn(c1C)C)C,0.2512
C1C2N=C3OC4C2C1C34,0.1556
O=C1COC2CC2C=C1,0.1786
COC1CCNCC1=O,0.2044
CC#Cc1c(nco1)N,0.1803
CC1OC2(C)CC12CO,0.2991
NC1(C#N)C2C3CC3C12,0.2492
CC(CCC#N)C(C)=O,0.2306
OC(C#N)C1=CC=CN1,0.2191
ON=C1CC2(NC12)C#N,0.23
NC(C(O)C#N)C1CO1,0.2741
CC1[NH2+]C2C1C2C([O-])=O,0.2648
C1CC1(CCC=O)O,0.2282
CC(C)Oc1cn[nH]n1,0.2311
OC1CNC1CC#N,0.2842
c1coc(=O)cc1N,0.1849
CC1C(C#C)C(=O)N1C,0.2692
O=CCCC#CC1CO1,0.22
C1C2CCC=CCC1O2,0.2314
COC1CCC(C1)C#C,0.3098
OCCC(CC#N)C#C,0.2996
N=C1CNC(=O)CCO1,0.254
OC1C2C3C2C2C3C12O,0.2865
c1cc(ncc1N)N,0.1739
[O-]C(=O)C1[NH2+]C2CC12,0.2645
c1nnc2n1nc(o2)N,0.2478
c1c(ncn1C2CC2)N,0.2162
CC1(CCO1)C#CC#N,0.2237
C1C2OC3C=CC2OC13,0.2285
c1c([nH]nc1C=O)CO,0.2003
CC1CC1C(N)C#N,0.2919
C#CCCc1ncon1,0.2382
CC1CC2=CCCC12,0.2462
CC1C2CC3(CO3)CN12,0.2942
CC1(OC1C=O)C1CC1,0.215
OC1=NNC=C1OC=N,0.2359
NC1=C(O)NC=NC1=N,0.1882
Cc1c[nH]c(c1O)C,0.2296
COCC#CC#CCO,0.2204
OC1C2CC=CN2C1=O,0.2125
CC1(CO1)C1COC=N1,0.2699
CCC1[NH2+]C1CC([O-])=O,0.2761
C1COCC=C1C=O,0.1962
NC1C2NC2COC1=N,0.2714
C1C=C(C(=O)O1)CC#N,0.2305
CNC(C#N)C(=O)CO,0.2202
CC(C)(C#C)OCC#N,0.2785
C1C2OC3CC4C(C12)C34,0.2969
O=CN1C=CC2CC1C2,0.2051
CC(C#C)C(=O)C#C,0.1949
CCCCC(C)CC,0.3799
C1OC1C1CC2CC1C2,0.3498
CN(C)C(C=O)C(N)=O,0.1685
CC12CC(C=C1)C(=O)C2,0.2051
COC12C3CC1C(=O)C23,0.2404
CC12CC1C(=O)CC2,0.2261
CC12C3CC1C(O)C2O3,0.2971
OC1C2OCC1(O)C2=O,0.1881
CC1CC2CCC1C2C,0.3554
C1C2CN=C3NC=NC123,0.2087
CCCCCC#CC=O,0.2054
CCC(C)(C=O)C(C)C,0.2225
CNC1=CC=COC1=N,0.1546
c1c(=O)nc(oc1F)F,0.2231
C1CC=CCC2(C1)CC2,0.2577
Cc1n[nH]c(=O)n1C,0.2394
CC1NC2(CC12)C#N,0.2443
OCCC12NC3C1OC23,0.2907
NC1=C(O)OC(=N)C=N1,0.1274
CC1CC2CC(C)(C2)C1,0.3489
CNC(C)(CC#N)C=O,0.2099
O=C1NCC1OC1CC1,0.2576
N#CC12OC1C1CC21,0.2451
CC12CC3NC3C1CO2,0.3028
CC(C)(C#N)OCC#N,0.291
CCC12NC1C1OCC21,0.2873
NC(=O)CC1CC2OC12,0.2789
Cn1cccc1C#C,0.1994
OCC1OC2CCC1C2,0.3195
CNC(=O)OC1CC1,0.3124
C#CC12NC1C1OCC21,0.2433
CC1CC=C2CCC2O1,0.2495
CC(C)N1N=NNC1=N,0.1994
CC12OC3C4NC4C1C23,0.2796
CC1=C(C(=O)OCC1)C,0.2208
N=C1NCC2NC2C1=O,0.1847
CCOc1conc1N,0.2299
c1cnn2c1CC=CC2,0.2414
CC12C3C4N1C2C34C#C,0.2357
CCNC(=O)NC1CC1,0.2984
OCC12NC1C(O)C2=O,0.2016
Cc1cn(cc1NC)C,0.2239
OC(C1CC1)C(=O)C#C,0.1962
CC(C)c1cnn(n1)C,0.2488
C1C=CC2(C1=O)COC2,0.2163
CC12OC1COC21CC1,0.3151
OC1CC2COCC=C12,0.2511
C1C2CCC3CC2C13,0.3473
OC1COC2(CC2)C1=O,0.2127
c1coc2c1C(=O)OC2,0.2248
Cc1c(con1)NC,0.2126
C1OCC23OC2CC=C13,0.2419
CC(=O)C1CCOC1,0.2312
C#CC1CC2(C1)CC2,0.3035
CCC1=C(CCC1=O)N,0.2045
CCC(C=O)C(=O)C#C,0.1786
CC1(CC1)C12CC1CC2,0.325
CC(C)c1cn(cn1)C,0.2489
c1c(nc(nn1)F)N,0.1846
c1c(c(=O)c(no1)F)N,0.1595
CC(=O)C(C)(C)OC=N,0.2298
CC1C=CC2CC1(O)C2,0.2526
N=C1OCC(C=O)=C1,0.1693
COCc1c(c[nH]n1)N,0.2201
O=CCC12CC1C(=O)N2,0.2187
CC12CC1C1OC(=O)C21,0.2583
CC1(C=O)C2C3CC2C13,0.2193
CN1C2CC2(C)OC1=O,0.2913
CC1C2CC1(CO2)C#N,0.2771
CC12C3C1C1=CC2CC31,0.1919
CC12CC3C4C(C14)C23,0.3289
c1c(c([nH]c1O)N)C=O,0.1692
CC1(CC1C(N)=O)C=O,0.2252
NC1COCC=C1C#N,0.208
COc1cc(n[nH]1)O,0.2552
CC1CC(CO)(O1)C=O,0.2103
C1C=Cc2c(nno2)N1,0.1439
C(=N)NC(=O)C(=N)N,0.2073
CC1OCC=CC1C#N,0.2591
CC12C3CN1C2(C)C3=O,0.2277
CC(C)C1N2CC2C1=O,0.2181
O=CNC1CC(=O)C=C1,0.1882
CC(C)C1(CCCC1)O,0.3142
COC1C(NC1=O)C#C,0.2537
C1CC12COCCO2,0.3268
CC1(CN1C=O)C1CO1,0.2511
c1c2c(n[nH]1)C=CCC2,0.2028
CCOCc1cnoc1,0.2459
OC1CC2CCCC12,0.3126
CC#CCCC(C)O,0.3023
OCC12CC3OC3C1O2,0.3109
CC1CC2(NCC12)C#N,0.2546
OC1C2CN(CC=O)C12,0.2006
CC12COC(=N)C1C2O,0.2666
C1COC(O1)CCO,0.3336
CC(O)(CC#C)C1CO1,0.3045
CC1C(NC1=O)C1CN1,0.2678
C1C2C3C1C21N=COC31,0.2498
OCC1CC(C#C)C1=O,0.2112
OCCCC(O)CCO,0.328
CC(O)C1C2CC2C1O,0.3008
c1c(coc1N)NC=N,0.1997
CC1(CO)OC2COC12,0.3032
OC1CC2OC1OC2=O,0.2652
CCC(C)C1=CN=CO1,0.2427
CC(=NO)CNC(=O)N,0.2509
O=CCC1C2CCOC12,0.2271
CCC1CC2(O)C(O)C12,0.3011
CCN1CC(=O)C(=O)C1,0.1412
CC1CC(CO)CC=C1,0.2646
COC1(CC1)C1CC1O,0.2906
CC1C(C)(C)CC1(C)O,0.3208
COC(C)C12CC(C1)C2,0.333
c1(nc([nH]n1)N)C(=N)N,0.2106
CC(C1OC1C)N1CC1,0.3088
NC1=C(O)C(=N)OC=C1,0.161
CCC(O)C1COC1,0.3066
c1c(c(=O)c(c[nH]1)O)N,0.1713
CC12CC3C(O)C1(C)N23,0.3051
CC1(C)CC2C=CCC12,0.259
C1CN1CCNC(=O)N,0.2858
CCN=C1OC2CC1C2,0.2758
CCC1CC(O)(CC)C1,0.3197
CC1OC1C1C(O)C1O,0.2787
OC12C3CCN(C13)C2=N,0.2535
CC(O)C1C(C)C1O,0.3075
CC1=C2C3CC3N2N=N1,0.2281
CCC12C3C1C1C3CC21,0.3217
C1OC2C1N=C1OCC21,0.2605
N=C1OC(=O)C(=O)C=C1,0.1521
COCC1N2CCC12C,0.303
CC12C(CC1=O)C2C=O,0.2143
CN=COC1CC1C=O,0.2225
c1c2c(n[nH]1)OCCN2,0.227
CC1=CCCC2OCC12,0.2562
CC12CC3OC3CC1O2,0.3302
OC1C=CC2OC3C2C13,0.226
c1c2n(nn1)CCC2=O,0.2017
CC12CC1CC2(O)C=O,0.2224
CCC1=CC(=O)N(C1)C,0.211
CC1OC2C3CN3C12C,0.284
CC(O)C1=C(N)ON=C1,0.2275
CCC12CNC(=O)C1N2,0.2575
O=C1COC11C2CC1C2,0.2163
NC1C(CO)OC1=N,0.2641
C1CC=C(C1)CC2CC2,0.2578
C#CC12CC(C1)C=CC2,0.2503
CCC1CC(C)CCO1,0.331
C#CCc1ccon1,0.2532
OC1=NOC(=N)C(=N)N1,0.1944
Cc1ccnn1C(=O)N,0.2289
CC12CC1(NCC2)C#N,0.2548
CC(O)C1CCOC1=O,0.2749
c1cc(nc(c1O)F)O,0.1917
COc1c(cccn1)F,0.2093
C1C2C=C3COCC3N12,0.2255
COC1COC1=O,0.252
CC12CC1C1(C)CCC21,0.315
C1C2CC11OCCC21,0.3284
Cc1c(cc(cn1)F)O,0.2092
OC1C2C3CC3(C#C)C12,0.2722
CC1C2OC2C1CCO,0.3261
c1cc(=O)nc(nc1)O,0.1606
CC1OC2(CC12O)C#N,0.2437
Cc1nc(c(n1C)N)O,0.2232
N#CC1(CN1)C1CO1,0.2798
CC12CC3C1C1CN1C23,0.3156
CCC(C)C1C2COC12,0.3092
CNc1c(nc(o1)O)N,0.2247
C1CC1OCCC(=O)N,0.2744
N#CC12CC3C(CN13)C2,0.2628
OC12CC34CCC(C13)C24,0.3306
CCC1(C)OCC1C#N,0.2816
CCC1(CC1)COCC,0.3296
OC1C2CN2C=CC1=O,0.1903
CCC(C)C(NC)C#N,0.2733
CC1(CC1)C2(CC2)C,0.3265
CC1CC2CC1C2=NO,0.2617
CC1=CC(OCC1)C=O,0.209
Cn1cc(nn1)OC,0.2218
CC1CC(=O)C(C)(C)O1,0.2186
O=C1CC2COC12C#N,0.199
CC12CN1C(=O)C2(C)O,0.2228
CC1CC11C2CC2C1=O,0.228
ON=C1C(O)CC11CN1,0.2202
OC1C=CC2C(C#C)C12,0.2332
CN=CN(C=NC)C=O,0.2204
O=C1CC2OC2CCN1,0.2649
CC1(CC=O)CC2OC12,0.2262
CCCC1CCC1=NO,0.2493
CC1(C)C(C#N)N1C=O,0.2527
CN1CC2C(C#N)C12,0.2479
CC1COC2(C)CC12,0.3114
c1c2c([nH]c1N)OCC2,0.2255
OC1C(O)C11CC(=O)O1,0.26
CN(C)C(=O)OC(C)=N,0.2571
C(C#N)NCC(=O)N,0.2595
CN=c1nnn(nn1)C,0.1578
CC12OC(C#C)C1C2O,0.245
CC12CC3C(O1)C23O,0.291
OCC1CC11COCO1,0.3156
FC1=CN=CC(=N)O1,0.1647
COC1CC2C(C)N2C1,0.2904
CC12C(C#C)N1CC2=O,0.2147
CCNc1ccoc1N,0.2098
O=C1CC=CCC2CN12,0.2264
NC12C3N=C4NC1C4C23,0.1615
COCCc1cnoc1,0.2459
CC(O)C1CN1CCO,0.2988
CC12CC1N1N=CC=C21,0.2344
C#CCCc1cc[nH]c1,0.2495
CN=C1NN=NC(=N)N1,0.1706
NC1(CCCC=C1)C#N,0.2462
CC(O)C1OC(=O)C1O,0.2614
COC1(CO)CCC1C,0.3034
O=CC12OC3C1COC23,0.2111
CC1OCC=CC=C1,0.1901
CC1OC2(CC2)C1C#N,0.2629
OCC1OCC2(CC2)O1,0.3236
O=C1C2N3CC1C23C#C,0.2238
c1[nH]c(=O)n(n1)C(=O)N,0.2283
CNC1=NNN=CC1=N,0.1625
CC(C#N)C1C(C)C1O,0.3061
CC1CC(CO1)=NO,0.2501
CC1=COC(=N)N=C1C,0.168
c1c2c(c([nH]1)O)[nH]nn2,0.1734
CCC1NC11CC2OC12,0.3156
OC1CC2C1OC2=O,0.2808
C1CC1Nc2nnon2,0.1921
C1CC11OC2C3OC2C13,0.305
N=C1OCC1(C#N)C#N,0.2801
CCCOC(C)C1CC1,0.334
Cn1c(=O)cc(cn1)N,0.1801
CC1NC11COC1,0.3031
CC(C#N)C1CCCC1,0.3477
CC1C2CC2(O)C1CO,0.3026
CC1(CC#C)C2CC1O2,0.2931
CCC(=O)C(C)(O)C#N,0.2159
CC1OCCCCC1=O,0.2142
O=CCC1CC1C1CC1,0.2231
CC1(CC11CCO1)C#C,0.2753
CC#CC(=O)CC#C,0.2063
CC1OC2C3CC2(C3)O1,0.3269
N=C(OC=O)C1CO1,0.2439
CC1(CC=CC12CC2)C,0.2478
CC1=CCCCCC1O,0.2504
CC(=O)CC1(CC1)C,0.2252
N=C1NC2=C(NN=C2)O1,0.2162
C1OC11CC2CC2C=C1,0.2386
O=C1NC=CC1C1CO1,0.2129
O=C1COCC1C#N,0.2125
CC1C(=O)NC1(C)C#C,0.2696
CC1(CC1)c2ccon2,0.2413
CNc1c(cco1)C#N,0.2043
CCC(O)(C#N)C(N)=O,0.258
CC(C)C1CCC1(C)C,0.3495
CC(O)(C#N)C1(O)CC1,0.2926
C1CC12CCN2C(=O)N,0.2723
CC(C)C(O)CC=O,0.2315
CC1(COCC12CC2)C,0.3189
OC12COC1C=CCC2,0.2481
C1C2(COC2)OC(=O)N1,0.3098
OCC1=CC2CC1O2,0.2338
O=C1CC2CC2(O1)C#C,0.2593
CC1C2NC1C2(N)C#N,0.272
CC12C3C1C1=CCC2C31,0.1607
COC1=C(C)OC(=N)N1,0.2291
CC(=O)C12OC1C1NC21,0.1999
C1C2CCCC12,0.3524
O=C1CC2NC3CNC123,0.1864
CC(O)C1(O)CC(=O)C1,0.2203
CC1CC1(C)C1(O)CC1,0.3167
OCCC1OCC1C#C,0.2863
c1c(nncn1)C(=N)N,0.1675
[O-]C(=O)C12CC1C[NH2+]2,0.257
NC(=O)C1C2C3CN2C13,0.2503
COC(C)C(=O)C1CN1,0.2276
C1C2CC3CC1N23,0.2946
CC1(O)C2CN2C1=O,0.2216
CC1(C)C(C#N)C1C#N,0.2942
C1C2CCC3=CCCC123,0.242
CC1C2CN2C1=O,0.2338
C(c1nc(on1)C#N)O,0.206
C(=O)C(C=O)(C=O)C#N,0.2143
CN1C2C3(C)CC2(C)C13,0.2978
CNc1cnc(o1)O,0.2417
OC1(COCC1=O)C=O,0.1834
CC1CCN2C(C#C)C12,0.2567
CCC1(CC1)C1OC1,0.3453
OCC1=CCC2COC12,0.2555
OC1C2C3OC1C=CC23,0.2305
OC1COC(OC1)C#C,0.2917
CCCC#CCOCC,0.2844
N#CCC12COC1CN2,0.2601
O=C1CC2(CC2)C2NC12,0.2128
CC(C)C1C(C#N)N1C,0.26
OC1CC1C1C2CC1C2,0.3029
CCC1COCC11CC1,0.3253
CCC1NC1C(=O)CO,0.2272
c1c(c(c(nn1)N)O)O,0.2061
CNC(=O)NCCC#N,0.2933
OC12CC1(C#C)C1OC21,0.2612
CC12OC1CC=C2C=O,0.1876
OC1CC1(CC#N)C=O,0.226
CC1C2OC(=O)C12N,0.2459
C(C#N)C(CO)(CO)O,0.3103
CCn1c(=O)oc(n1)C,0.2389
OC1COC1C#CC#N,0.2245
N#CC1=NCC2CC2O1,0.2258
CC1OCC(=C1)C#C,0.2051
C1C(OC=N1)(C=O)C=O,0.1941
CC1OC(C)(C)C1C=O,0.2181
CC(C)CC#CC(=O)N,0.2341
OC1C(O)C2C3CC3C12,0.2961
CC12CCN=C1NC=N2,0.2281
CC1C(C)C1CC1CO1,0.3417
CCC1=CC(=O)CC1,0.1938
CN1C2C3C4OC2C1C34,0.3127
CNC(CO)(C#C)C#N,0.2663
NC12CCC1(C#N)C2O,0.2638
CC(CO)CC(C)C#N,0.3133
CCC1(C)C2C3OC1C23,0.3023
CC(=O)NC1CC1O,0.2692
CCC(=N)NC(=O)CO,0.2369
CNc1ccoc1C#C,0.1773
OC1COCCCC1=O,0.2174
CC1OCC2C1C2(C)O,0.3177
CC1[NH2+]C2(CC12)C([O-])=O,0.2577
N=C1OC23COC2CC13,0.2744
CC1OC(CO)C11CC1,0.309
CC1=CON=CC1=N,0.1819
O=CNC1COCC1=O,0.1966
C(C=O)Oc1n[nH]nn1,0.2271
C1C2NC3=NOC=C3C12,0.222
c1c[nH]c2c1C(=O)OC2,0.2254
CC#CC1(COC1)C#C,0.2768
CC12OC3C4CC1N4C23,0.2675
CCC1N2CC1(O)C2C,0.3098
CC(C)(C)C(C)(C)C=O,0.2234
O=CC12CN1CC2C#N,0.2153
CCNc1cc(on1)C,0.2223
CN=c1c(cnc[nH]1)O,0.1762
CC1CC(C=O)=CC1O,0.189
C1OC11CCC=CC1,0.2685
O=CC1CCC(=O)OC1,0.223
C1CN2C3C4C(C23)N14,0.2721
C1CC1C1C2CC1OC2,0.3171
CC1(CN1)C(=N)OC=O,0.2479
OC1CC2C3NC2C13O,0.2827
CC1C2C=CC(C#N)N12,0.2252
CC(=O)C(O)C1CC1O,0.2313
N=C1OC2C3OCC1C23,0.2586
c1c(c([nH]n1)N)N(=O)=O,0.1728
N=C1OCC2CC1C=C2,0.2443
C1CC1C12CC3C(C1)N23,0.3169
CC12OCC3(O)CC1C23,0.2938
CC1C=CCNC1=O,0.2521
CC1C2CC1C=CC=C2,0.1779
C#CCOC1=NCCC1,0.2792
OC1=NC=CC(=N)C=N1,0.1524
CC12CC=CC1C1CC21,0.2635
O=C1OC2(CC2)C2CC12,0.2639
C#CC(=O)CCN1CC1,0.1799
CCCC(C)(C)CC#C,0.31
N#CC1CN2CC2CN1,0.2499
O=C1CCCC2NC2C1,0.2243
NC1=NC(=[NH2+])[N-]C(F)=C1,0.2222
CCC(=O)CC1(C)CO1,0.228
CC1CC2CC2(O)C1O,0.3056
Cc1ccoc1CCO,0.2345
C#Cc1c(ocn1)CO,0.2138
C1CC23NC2CCOC13,0.3197
COC1(C)C2CC2C1O,0.3146
C1OC2COCC1O2,0.3291
CN(C)C(=O)C(O)C=O,0.2119
CC1COCOC1C,0.3388
CC(C)C1CC=CCO1,0.2671
COC(C)C(F)(F)F,0.352
c1c(c(cnn1)O)O,0.2031
CCCC(C#C)C(C)O,0.3021
CC1CC23CCC12CC3,0.2918
OC1C[NH2+]CC1C([O-])=O,0.2736
CC1C(=O)C=CC11CN1,0.1904
NC(=O)N1C=COC1=N,0.2228
CC([NH3+])CC#CC([O-])=O,0.2251
OCC1OC2C(O)C2O1,0.3002
Cc1c(c(oc1N)N)O,0.2138
CC(C=O)C(C)C1CC1,0.2279
OC1CC2CC1C21CO1,0.3305
CC1OC(=N)C2(C)CC12,0.2807
O=C1CCC2(CN2)C=C1,0.1867
O=C1C2COCC1C=C2,0.2309
CNC(=N)C1(CO1)C#N,0.2222
Cc1c(c(ncn1)F)O,0.2154
CC1CN1C1=NON=C1,0.21
N#CCNC1C2COC12,0.2554
COC1(CC1)C(O)C=O,0.2161
O=C1NC2C(N1)C2C#C,0.2637
CCC1CC(C)C(C)O1,0.3181
O=C1CCOCC11CO1,0.217
CC1(C)C2CC3C2N13,0.3239
CN1CC(O)CC1C=O,0.1876
CC(CO)OCC#C,0.2848
CC(C#C)C(CO)C#C,0.2951
O=CC1C2CCC1C2=O,0.2007
CC(C)COCCO,0.3351
CC#CCn1cnnn1,0.265
CC1CCN1C(=O)C=O,0.1725
CC1(CNC(N)=O)CO1,0.3033
N#CC1CC2=CCCC12,0.2457
CC1C2CC=CC1CO2,0.2558
CNC(=O)N1CC1C#N,0.2724
OC1(COC1=O)C1CC1,0.2585
CC12OCC1(O)C2O,0.2653
CC1(C)C(C#C)C1C#N,0.271
CC12CC3(C)CC1C23O,0.2952
COC1C2OC2C1(C)C,0.3178
CC1CC(=O)NCC=C1,0.2461
OC1CN(C=O)C(=O)C1,0.2162
CC1(CO)C=CC2OC12,0.2466
CCC1OCCN2CC12,0.3061
C#CCOc1c[nH]cn1,0.2278
CC(O)C1OCCC1O,0.3057
c1nc(nnn1)OC=O,0.1658
CC1C(OC1(C)C)(C)C,0.3081
CC1C2C3C4N3C2C14C,0.3036
CCC1C(O)C2CC12C,0.303
O=CC12CCC1C2C#C,0.2137
[O-]C(=O)C1C2CC[NH2+]C12,0.2657
C1CC(C1)OC(=O)C#N,0.2452
CC1CC2OC(C1)C=C2,0.2473
CC1C2(O)CCC12C#C,0.2524
CCCCCC(O)C#C,0.2974
C(C=O)OC(=N)NC=O,0.2092
O=C1CC=CC1N1CC1,0.2103
C(=O)NC(=O)N,0.242
COC1C2OC2C1C#C,0.2789
CCC1(O)CC=CC1,0.2681
CC1CC2CC(C1)O2,0.3144
CCC1=CC(C)CC1O,0.2574
CC1COC1(C#N)C#N,0.2611
COC1OCC(CO)=C1,0.2616
CCC#CC1OC1CC,0.2738
C1OC23C1CC1C2OC31,0.2862
CC(=NO)CCO,0.2523
OC1C2CC3(CCC13)C2,0.3327
CC(O)CC(C)(C)O,0.3167
CC(=O)CN1C2CCC12,0.2273
COC1OCCC2NC12,0.3106
CC12C3COC1C(O)C23,0.304
CC1CCC=CCC1O,0.253
O=C1COC2C(C#N)C12,0.2153
CC1(CN1)C(=O)OC=N,0.2324
CCC#Cc1nc[nH]n1,0.2229
CC1(CN2CCC12)C#N,0.2587
CC(O)C1(CO1)C1CN1,0.3184
O=CC1OCC(=O)O1,0.2157
COC1C(C)OC1C#N,0.2746
CN1C2C3C1C2C3(C)O,0.2809
FC1=NC(=N)N=C(F)O1,0.2361
O=C1CC2CN2C1C#N,0.2026
COC1C2NC1C(C)=C2,0.222
CCN=C(C=O)N1CC1,0.163
CCCc1cnc(o1)C,0.2363
CC#CC1OC2COC12,0.26
CCC1(C)C2OC1C2O,0.301
OC1C2CCOC2C1=O,0.1943
CC12C3C1C1CC3C21O,0.2955
CC12OCC(C=C1)C2O,0.2302
CC(=O)C1CC(O)C1,0.2165
CC12CC1C=CC21CO1,0.2385
CC#CCn1ccnn1,0.2572
CC(O)(C#N)C#CC#C,0.222
NC1=NC2C3CC2(C3)O1,0.2743
OCC1OCOCC=C1,0.2586
C1C(=O)NCC12COC2,0.2711
CC1(CC#N)OC1CO,0.2998
CCC(C#C)C(O)CO,0.2984
Cc1c(c[nH]n1)OC=O,0.2455
CC(C)(CO)C#CC#N,0.245
CC1=CC2(CO2)CCC1,0.2464
CC(NCC#N)C(N)=O,0.2541
Cn1ccnc1OC,0.2454
Cc1ccc(c(c1)O)N,0.1987
Cn1cc(cc1OC)N,0.2269
CC1(C(=NO)CO1)C,0.2469
CC1COC(C)C1(C)O,0.3127
COCC(=O)C(O)C#C,0.2245
CC12CC(CO1)OC2=N,0.273
CCC1(COC1=N)NC,0.2548
CCCNc1cc[nH]n1,0.2245
c1c(cncc1F)C#N,0.2054
CN1C2C3C2N2CC1C32,0.257
c1c(n[nH]n1)N=CN,0.2017
CCC1COC1,0.3194
OCC1OCCN=CO1,0.2598
CC1(NC1C1CN1)C#C,0.2666
CC(C1CCC1)C(C)=O,0.229
CN1C2CC1C(=O)OC2,0.2375
C#CC1=CCOCOC1,0.2088
CC1C(OC1=N)C#N,0.2763
CC(CC=O)(C=O)C#N,0.205
COC1CNC1=O,0.2566
CC(C#C)C1(CN1)C#C,0.274
CC1(C#C)C2CCC1O2,0.3042
CNC(=O)COCC=O,0.2092
COC(=O)CC(O)CO,0.2722
CCC1C2CCC2C1=O,0.2138
CCCC(CC)C(N)=O,0.2737
C1OC2C3OC22C1NC32,0.2077
COCC1(COC1)C=O,0.2211
O=CN1C2CC=CCC12,0.2554
c1cc(oc(=O)c1)C=O,0.1541
CC1=C(C)N=CC(=N)O1,0.1546
c1c(n[nH]n1)C(=O)CO,0.2031
O=CC1C2CC3C(C2)N13,0.2247
ON=C1CCC1(O)C=O,0.209
O=CC1CC2OC2CO1,0.2263
C1NC11CC2CC3C1N23,0.3016
CC#CCOC1CC1C,0.2812
CC1NC(=O)COC1=O,0.2554
N=C(C=O)N1C2CC1C2,0.1746
CC1CC(C)C1C,0.3575
CC1=CC2CN2C1C=O,0.1907
CC1C2CCC1(C)OC2,0.3091
C(C=O)n1nc(nn1)N,0.1943
COC1(CC2CC12)C#C,0.2858
[NH3+]C1(CC1)C([O-])=O,0.2701
CC(=O)NC(=N)C=O,0.1894
OC1C2C3C1C(=O)C23O,0.236
OCC12OCC1CC=C2,0.2561
FC1=NC(=N)ON=N1,0.1649
C1C2NC3=C(C=NN3)C12,0.228
c1c(c[nH]c1N)N,0.225
CCC1(CO)CC2OC12,0.307
O=CC#CC1=NCCN1,0.1484
CN1C(=O)CC12CC2,0.2671
OCC#CCCOC=N,0.2743
O=C1C2CCC1C21CC1,0.2285
OCC1C2CC1(N2)C=O,0.1911
CC1NCC2=C1N=CO2,0.2213
O=COCC12CC1CO2,0.2621
OC1COCCNC1=O,0.2526
CC1C2N(C)C1C2=O,0.2483
CC12CN1C(=O)N1CC21,0.2387
OC1C2CC3C(O)C2C13,0.315
Cc1c(cnc(=O)[nH]1)O,0.1552
C1CC=C(C1)NC=O,0.2118
Cc1c(c(=O)ocn1)N,0.167
c1c(nn(n1)C=O)O,0.1996
C1COC(O1)CCCO,0.335
CC(O)C1CC1OC=O,0.2799
c1c(ncoc1=O)C=O,0.1667
CC1OC1(C)C(C)(C)C,0.3317
CC1(C#N)C2C3CN3C12,0.2571
NC(=O)C1C2CC1C2O,0.2645
CC1=C(CC2(C1)CC2)C,0.2545
CC12CC1NC(C2)C#N,0.253
CC1OC=NC11CCC1,0.2658
CC12C3CN1C(=O)C2O3,0.2084
CCCc1c[nH]nc1,0.2583
C1COC(O1)C#CCO,0.2733
c1c2c(c[nH]1)C=CCC2,0.1998
OC1C2C3CC1C=CC23,0.2417
NC(=O)C1(N)COC1=O,0.2333
CC(C)OC=O,0.2863
CC1CC2(CO)OC12C,0.323
OCCCC1NC1C=O,0.2218
C1OC1C1C2C3CC1N23,0.3195
CN=C1OCC2(C)NC12,0.2566
CNC1=CC(=O)CNC1,0.1941
CC1C=CC2(O)CCC12,0.2585
C1CC12CC(=O)N2,0.2768
O=C1NCC2C(C#N)C12,0.2583
N#CC1(C#N)C2CNC12,0.2465
NC(=O)C1CCN1C=O,0.2464
C#CC12CC3OC1C3N2,0.2637
CC1N2C3C4CCC13C24,0.3053
N#CC12CCC1=CCC2,0.245
CC12CC1N1CC1C2,0.3096
CCc1n[nH]c(=O)o1,0.2473
CN1CC1C(=O)C1CN1,0.1949
OC1CC=CC2CN2C1,0.2282
N#CC1=CC2CCC1N2,0.1969
OC12CC1OCCOC2,0.3155
N#CC12C3CC1CC2C3,0.2973
COCC1C2OC(C)C12,0.3211
CC12C3CC1C1CC3C21,0.326
CCn1cc(c(n1)N)C,0.23
ON=C1CC2(CC2)C1O,0.2443
C#Cc1[nH]cc(n1)CO,0.1997
C(=O)c1[nH]c(=O)[nH]n1,0.1637
CC(O)C(C)C1CC1C,0.3267
CCC1CC1C1(O)CC1,0.3162
CC1(C)OC=NC2CC12,0.253
CC#CCC(O)C1CO1,0.2987
OC1C2C3CN2C13C=O,0.2037
N#CCC1C=CC2CC12,0.2463
CCCOCCCC=O,0.2301
CC(C)c1c(c[nH]n1)O,0.233
OC1C2CN3CC=C1C23,0.1958
OC1C2C3NC2C13C#N,0.2633
O=CC1C2CC2OC1=O,0.2253
CC1=C(N)C=NOC1=N,0.1578
OCCOC1CCCO1,0.3416
CC1(COC1)NCC#N,0.2687
OCC1(CN2CC2)CN1,0.3009
CC1C(C)N1C(=N)C#N,0.2021
Cc1cn(cn1)CC#C,0.2377
N#CC1CC2C3CC2C13,0.3425
CC1C2NC1(C#C)C2=O,0.2388
C1C2C3OC3CCCN12,0.302
CC12COC(C=O)C1N2,0.2205
O=C1CCN1CC1CO1,0.2776
N=COC1COCC1=O,0.1993
CC1(O)CC2C1OC2=O,0.2777
Cn1cnc2c1con2,0.196
OC(C=O)C1=COC=N1,0.206
CC1C2C=C(CO)CN12,0.2264
CC1OC1(C)C1CC1,0.3506
[NH3+]CC1=C([O-])OC(O)=C1,0.1555
CCOC(CO)C1CC1,0.3175
CC1(NC1CC=O)C=O,0.2022
CC1OCC2C3OC1C23,0.3059
OCC1CNC(CO)=N1,0.2465
CC(=O)NC(=O)CC=O,0.2086
N#CC1C2CN1CC=C2,0.2261
O=CC12COCC1CO2,0.2062
CN=c1occ(o1)C=O,0.1643
CN=C1NN=CC(F)=N1,0.1486
CCC(CO)CCO,0.3361
CC12OCCC1N1CC21,0.2991
CC1=CCC2(CC2)OC1,0.2634
CC#CC#CCN1CC1,0.2207
CC1=C(F)C(=O)N=NO1,0.1666
CCC1CC1C#CC,0.2823
OCC12CC1CC(=N)O2,0.2742
O=C1C=C2NC3CN1C23,0.1703
CNC(=O)C1NCC1=O,0.1962
CCN1CC(C1)(C=O)O,0.1777
COC1=NOC(=N)N=C1,0.1549
CC1=NC(=CO1)C1CO1,0.2354
C1C=CC(=O)CC1=NO,0.1828
C#CCC12C3C4C(C13)N24,0.2598
N#CC1C2C3CCC1C23,0.3027
CC(C#CC#N)C1CC1,0.2444
CN1CC(N)(C#C)C1=O,0.2408
NC1C2CC(N2)C1C#N,0.2701
COC1OCC2(C)CC12,0.3473
C#CC1C2C3C=CC2C13,0.2246
CC12OC3C4C3C1C24,0.3172
CCC(=O)C1CC1(C)C,0.2301
OC1CC2(O)CC1(O)C2,0.3068
COC(C)C1CC2OC12,0.3272
C1CC2(CC3CCC23)O1,0.3037
CC(C#C)N(C)CC=O,0.1986
CC1OCC2N3CC12C3,0.2899
O=CC1CC2COC1C2,0.2208
CC(C#N)C(O)C#N,0.3082
C1CC2NC2CO1,0.3125
C1C=CC2C3C4C3C2C14,0.2547
C(C#N)C(=O)C#N,0.2126
CC12OC3C(C13)C2CO,0.2934
CC(C=O)C#CC(N)=O,0.2122
Cc1c(cnn1C)N,0.2274
COC1C2CC2CC1=O,0.1999
ON=C1CCC2C(O)C12,0.2393
O=C1CNC23CC12NC3,0.189
C1CC#CC=CCOC1,0.1983
CC1CCOCC(O)C1,0.3149
OC1C(=O)C2CCC12O,0.2114
CC(O)CC(O)C(C)C,0.3073
C1CC12CC(C2)(CO)O,0.3201
OCC1CC2(OC12)C#N,0.2742
NC1=C(N)OC(=N)O1,0.2395
CC12CC(CO)=CC1N2,0.2309
CCC(=O)C(=N)N,0.1974
CCOC1COC(=N)O1,0.3107
[NH3+]C[C-]1OC(=O)C=C1,0.1739
C1C2CC11COCCC21,0.3379
COCC1OC1CC#C,0.3054
C1OC23COC2COC13,0.3152
Cc1c[nH]c(n1)C=O,0.1815
COC1(C)CCC1C=O,0.2262
Cc1cc(c([nH]1)C)O,0.2208
C[NH2+]C1CC1C([O-])=O,0.2729
CC1(COCOC1)C#N,0.3145
C1CC(O1)C1=CCCC1,0.247
CC12OC1C1(O)CC2C1,0.3195
CCC12CC(CC1)C2C,0.3584
c1cc(oc1)NC(=O)N,0.2322
Cc1c(c(n[nH]1)O)C#N,0.2285
N=COC1=CC=CO1,0.2226
CC1C2C3C1N2CC3=O,0.2057
CC1C2CC2(CO)C1O,0.3159
CCOC1(C)CC1(C)O,0.3157
CC1CC11C2OC1C2C,0.3115
COCC1COC1C=O,0.2107
O=CC1(CC2OC12)C#C,0.2165
CC(O)C1=NOC=C1,0.248
CC12CC3(CN3)C1N2,0.313
CC(O)CC1(C)CC1,0.3253
CC12COC1(C)C(=O)O2,0.2497
OC1CC11CCCC1,0.3314
CCC(C#N)C#CC=O,0.2032
N=C1NC=COC1=N,0.175
CC1CC1(O)CC#N,0.2968
c1c(onc1N)C=O,0.1706
OCC1=CC(O)CC1,0.2577
CC1(C#N)C2OC2C1O,0.294
O=C1CCC2CC12,0.2264
Cc1ccnn(c1=O)C,0.1765
CCC(O)C(O)CO,0.3207
CN(C(=O)C#C)C(=O)N,0.2138
C#CCC1OC1C#N,0.2672
COC1C2CN2C1=O,0.2164
O=C1CC2(N1)C1CC2C1,0.284
CCCC(=NO)COC,0.2584
COC1OC2CC1C=C2,0.251
C#CC1=NCC(N1)C#N,0.2073
CC1C2C3C(CN2C)N13,0.2769
N=C1OC2(CNC12)C#C,0.245
CC12CC=C(C=O)C1O2,0.1887
CC12C3C1C1(C)C2CN31,0.2952
OC(C=O)C1OCC1O,0.2125
CC#CC1(C)CC2OC12,0.2874
COC1(C)CC1C(C)=O,0.2311
C1CCCOC=NCC1,0.2576
CCOC1C=CCC1O,0.2633
N=C1CC2=C(N1)N=NO2,0.1759
CC(=O)OC1CC2CC12,0.2796
C#CC12CC1CCOC2,0.2883
O=COC1CNC(=O)C1,0.2522
CC1OC2(CC2)C1=O,0.2174
COCC1COC(=O)C1,0.2779
CCOC=NCC#C,0.2716
CC1(OCOC1=N)C=O,0.2223
O=CCC#CCC1CO1,0.2207
CCC1CC1(OC)C#N,0.291
COC1CC(C)C1C#C,0.2888
CC1C2CC2C=C1CO,0.2436
C1OC2C1C1CCCC21,0.31
CC12NC1(CO)CC=C2,0.2346
CC(C)C1C(O)C1O,0.2798
CC12OC1CC21COC1,0.3176
N=C1OC(=O)NN=C1,0.1941
NC(=O)N1C2CCC12,0.2674
Cc1cc(n(c1)C)C,0.2409
CCc1coc(n1)NC,0.2337
CCC1CC(=O)C(C)O1,0.2192
OC1C2C3C1=CCC23O,0.1839
O=C1CC2C(C12)N1CC1,0.2301
O=C1COC11CC2OC12,0.2124
CCC#CC1(C)CN1C,0.2606
OC1C2NC2C2CC12O,0.2974
CNC(C#N)C(O)C#N,0.2709
CC12CC1C(=O)COC2,0.2127
CCC(C)C(O)COC,0.3254
C1C(CO1)(CNC=O)O,0.2476
OCC12CC1CC(O)C2,0.3244
C1C2N1CC21CC1,0.3055
CCc1[nH]cc(n1)OC,0.224
c1c(c([nH]n1)N)N2CC2,0.2335
CCCC1C=CCC1C,0.261
NC(=O)N1C=NNC1=N,0.2152
CC(C)C12OC3C1CC23,0.302
CC1NC(C#N)C2NC12,0.2674
CC1(CCC#N)CN1,0.2961
c1cn[nH]c1C#CCO,0.2061
COCC1=CCOC1C,0.2504
CCC(=O)COC=NC,0.2212
Cc1c(ocn1)N,0.2398
CCC1(CC1)C(F)(F)F,0.3821
C1C2CC3OC1C23,0.3127
NC12CCC1OC2=O,0.2497
CC(CC#C)C(C)(C)C,0.3124
CC12C3OC1C3CC2O,0.2973
c1c(c(c(cn1)N)F)N,0.2045
C1CC23OCCC2OC13,0.3014
CCC1CC1OC(C)=O,0.2793
CC12CC3C(C1)C(=O)C23,0.2283
CC1COCC1CCO,0.3162
N#CC12C3CC4C1N4C23,0.2579
CC1(CN1C=O)C,0.2533
CCC1(C)C(C#C)N1C,0.2555
O=C1CC23CCC2C1O3,0.2154
Cc1coc2c1occ2,0.2011
Cc1cnc(cc1F)N,0.2049
OC1CC2CCC(C1)O2,0.3038
CN=C1C(=CC(=O)N1)N,0.1726
OCC12CCOC1C2O,0.3148
CC12CCC1(O)C1OC21,0.318
O=CC1CN=C(N1)C#N,0.2012
OC12CCC3C1C2C3=O,0.234
CC1OC11CC2(C)NC12,0.2996
CC1CC(O)CCC=C1,0.2583
N=C1NC2CC2N1C=O,0.2293
C#CC1CCOCOC1,0.3063
O=C(C#N)C1OCC=C1,0.1707
Cc1cc(c([nH]1)C#N)O,0.1987
CC12CN1C(C#N)C2O,0.2595
O=C1C2CC1CC=CC2,0.2186
O=C1C2CN2C11CCC1,0.2175
NC(C#N)C12CC(C1)C2,0.2812
CC12OC1COC2C#C,0.2865
C1CC12C=CC=CCO2,0.1817
c1cnc(nc1)N(=O)=O,0.1898
C1CC2(C1)C(=O)OCO2,0.2697
Cc1c(nc([nH]1)C#C)C,0.1941
CCOCC(F)(F)F,0.3485
CC1CCC11OC1CO,0.3226
CC12CC3CC(C=C1)C23,0.2494
CC1(C)CCOC1C#C,0.2922
COC(C#N)C1CC1,0.303
NC1=C(C=NO1)C1CO1,0.2235
CCC12OC(C1O)C2=O,0.2257
c1coc(c1C#N)N,0.2094
C1CC2CC(CC=C2)O1,0.2563
CCC1(C)OC1(C)C,0.3342
CCOC(C)(C)C#C,0.2973
CC1=NC(C)(CO1)C#C,0.2691
O=CC12CN3C(CO1)C23,0.201
CN(C)CC(=N)NC=O,0.2207
OC1COC(=N)C2CC12,0.2706
CC12CCC1C1NC21,0.3014
CC1CC(=O)OC1=N,0.2626
CC(=O)CC#CC1CO1,0.2272
COC12CC3C1C2C3O,0.3187
O=C1COCC2(CO2)C1,0.218
CCC1CCCCO1,0.331
C1C2C1C1C2CC11CO1,0.3035
CCC(C)CC1CCC1,0.3599
CCOCC(C)(O)C=O,0.2236
CC1=CC2NC2(C)CC1,0.2364
NC(=O)CC12CC1CO2,0.2718
C1CC1C1OCC=C1,0.2517
CC(C)(CCO)OC=O,0.2742
C#CC1(CC1)C(=O)CO,0.2319
CC12OC1C=CC2=O,0.1716
CC(C)(C)c1ccno1,0.2455
Cc1c(c[nH]c1C=O)N,0.1588
C#CCC#CCC(=O)N,0.2704
COCC(C)(C)OC=N,0.2846
c1c2c([nH]c1N)nn[nH]2,0.1951
COC=NC1CC(=O)C1,0.2203
NC1=CNC=C1OC=N,0.214
CC1CN2C3C2C(=O)C13,0.2181
COc1ncc(cn1)F,0.1967
CC(=O)NC1CC1CO,0.2692
Cn1c(c([nH]c1=O)N)O,0.2311
CC#CC1C2CC1N2C,0.2641
Cc1cc2c([nH]1)OCC2,0.2243
Cc1cc(cnc1F)O,0.1999
CC(O)C12CC1(O)CC2,0.3154
OC1C2C(CC12O)C=O,0.2237
C#CCC1(CC1)CC#C,0.3078
CC1(C(=CCO1)C#C)C,0.2044
C(C#N)OC(CO)CO,0.2775
COC(=O)CCNC=O,0.2681
N=C1OCCCCO1,0.2943
C1CC(=O)C(=O)CNC1,0.1679
CC1C2CC(=O)CC1O2,0.223
Cc1c(nc[nH]1)N2CC2,0.2377
CCC(=O)c1c[nH]cn1,0.2078
CCOCC(C)C#C,0.3131
OCC1CN1CC#N,0.2765
COC(=O)C1CCN1C,0.2301
CCCN1CC(C1)C#N,0.258
OC1CCC2OCC12O,0.3068
O=C1CN2CC(=O)CC12,0.1946
OC1C2C3CC(=O)C1C23,0.2222
CCC12NC1C1CC21C,0.2738
OC1CC2(CN2)C2NC12,0.3104
CC12CC1C(=O)NC2=O,0.2303
CC1OC1C1OCC=C1,0.2487
CN1C=CC(=N1)C1CO1,0.2472
C1C(=O)CN1C(=O)CO,0.2113
CC12C3COC1(C)CN23,0.3097
OCC1(OCC1=O)C#N,0.2146
CCCC(O)C(=O)C#C,0.1985
N#CC1N=C2CC3C1N23,0.1941
N=C1OC=C2CC=CN12,0.1801
C1C2OC3CN1C2C=C3,0.2082
OCC1OC(=N)C2CC12,0.2749
OC1CC2NC(=O)NC12,0.2803
COC12CC3C1C3(C)C2,0.3183
CCC#CC(=O)C1CN1,0.1984
C#CCCCNC(=O)N,0.2964
CCN1CC1C#CC,0.2614
CC1(O)C2NC1C2C#N,0.2826
CC(=O)C1(O)CC1C#C,0.2165
c1c2c(on1)C(=NC2)N,0.1965
COC1C2CN2C1=NC,0.2433
N=C1C=NC=CN=C1,0.166
Cc1cc(n[nH]1)CC#C,0.2559
CN=c1cnocc1N,0.152
C(#CC#N)C#CC#N,0.1744
COC1C2OC1C(C)=C2,0.2378
NC(=O)C1CC1CC=O,0.2262
CCC1OC1CCO,0.3378
c1nc(nc(n1)F)C#N,0.2059
CC(C)(CC(=O)C=O)O,0.1533
CC1(NC(=O)C=C1)C#C,0.2132
CNCc1nnn(n1)C,0.2029
CC(OCC1CN1)C#N,0.2709
C1CN(C1)C(=O)N,0.2894
c1c2c(on1)CCN2,0.1964
OCC1C2CC(=NO)C12,0.2429
CC1=CC2(C)CC1(C)C2,0.2355
c1cnc(c(c1N)N)O,0.2074
C1C=Cc2c(non2)N1,0.175
CC1(O)C2CN2C1(C)C,0.2948
NC1=CC(=O)CC1CO,0.2079
CC1(COC1)C2CCC2,0.3156
CC1CCOCC11CN1,0.3082
O=CC#CC#CC1CO1,0.175
COC12CCC3CC1C23,0.329
CC1C2CC1(O)C(=O)N2,0.2652
NC(C#N)C12CC1CN2,0.2585
OC1CCOC2CC12,0.3145
COC1CCC2CC1C2,0.3263
CC#CC(=O)C(=O)C#N,0.1531
COC1CC2CN2C1=O,0.2149
CC1CC2OC1C1NC21,0.3096
C1OC23CC=CC2NC13,0.2295
CC(C=O)N=CNC=O,0.2125
COC1CC=CC(C)O1,0.2653
CC12NC3C1C2OC3=O,0.2374
Cc1c(oc(n1)C)CO,0.2295
COCc1ccn[nH]1,0.2583
OC12COCC1N1CC21,0.3005
C(CO)N=COC=O,0.2383
COC(=O)CCOC=O,0.2806
CC12CC3(C)C4C1N4C23,0.3006
CCC1CN1CCOC,0.3119
c1cocc1NCC=O,0.1745
COC1CC(=O)C1C,0.2211
COC12CC1C=CC2C,0.245
CC12CC(C1)OC=N2,0.2656
OCC(CC#N)C1CO1,0.3066
CCC1OCC11COC1,0.3079
CC1(O)C2C3C4C3C1C24,0.308
CCN=C1OC(C)C1O,0.2723
OC1COC1C1CC1,0.3065
Cc1cc(on1)C(C)C,0.2482
CC(=N)Nc1cnoc1,0.2116
CN(C)c1ccno1,0.2182
CC12C3COC1C(=N)N23,0.2406
CC(N)(C[NH3+])C([O-])=O,0.2677
c1coc2c1CCC2=O,0.1945
COC1C=CCC1O,0.2631
CC#CC1CC1OC=O,0.2478
CC1CC(C=O)C2CN12,0.2109
OCCC1=CC(=N)OC1,0.2143
Cn1c(c(c(n1)O)N)N,0.2435
CC1C(C)N2CC(=O)C12,0.1974
CC1OC1C1=CCCC1,0.2408
N#CC1CCC=C1C#N,0.2224
CC1C2OC(N)=NC12,0.269
CC1COC(=O)C(C)N1,0.2356
CCC1(CC)CC2NC12,0.3048
CC12CC1OCCCO2,0.3178
COc1c(c[nH]c1N)N,0.2243
CC1CC2C1OC2=O,0.2799
N=C1OCC2OCOC12,0.2657
CC1CC2C1C2(C)C#N,0.3127
OCC1(CO)OC1C=O,0.2153
OC1CC2CC1C2C#C,0.3028
CCN=C1OCC1CC,0.2769
C1C2C1C13NC21CC=C3,0.1952
C1OC2C1C21CCCO1,0.2873
CC1C(=O)C2OC12C#C,0.2059
CC(=O)n1ccnc1,0.1976
CC1CC2(CO2)C1(C)O,0.3177
OCC12CC3(CC3)C1O2,0.3236
C1C=Cc2c1[nH]c(=O)o2,0.1709
O=CC1NC1CN1CC1,0.2125
CC1CCC=CC1C#C,0.2622
CC(O)C12CC3C1N3C2,0.2952
CC12CC(C3CC13)C2=O,0.2345
CNc1coc(=O)[nH]1,0.2372
CC1=CC(=O)CN(C1)C,0.1751
OC1CCC1(C=O)C#N,0.2115
CN1C=CC=CNC1=O,0.1706
CC1N2CC2CCC1=O,0.1987
CCNC1CC1(O)C#N,0.239
CCC(=O)N1C2CCC12,0.2451
O=C(C#C)C12CC(C1)N2,0.1823
OC1COC(C1)OC=O,0.2775
C1CC2COCC3C1N23,0.302
CC(C)c1[nH]ccn1,0.2515
COC1(C)CCOC1C,0.3204
C#Cc1[nH]c(cn1)C#N,0.1869
CC1OC(=N)CC=C1C,0.2569
Cc1cnc(n1C=O)O,0.1661
CCOC(CC)CC#N,0.2915
CC(C)(C#C)OC,0.2972
c1c2c([nH]cn2)[nH]n1,0.2287
N#CC1NCC2NC12,0.268
CC1CC2CC=CCC12,0.2614
CC(CC1CO1)N1CC1,0.3095
COC1(C#N)C(N)C1N,0.2373
c1c(ocnc1=O)C#N,0.1786
ON=C1C2CC2C2OC12,0.2299
OC1C2CN3CC3C12,0.2789
CC(C)N1CC1(C)CO,0.297
CC1CN2N=CN=C2C1,0.2668
c1cc(c(=O)cnc1)N,0.1437
N=C1NC23CC(C2)OC13,0.2594
CC1(CC#N)CC=CC1,0.2647
O=C1CC=C2CCC2C1,0.2231
CC1C2NC2(C)C2CN12,0.3199
CCNc1c(nc[nH]1)O,0.225
c1c(nnn1CC#N)O,0.2199
CC1(CNCC1=O)C#N,0.1941
O=CC(=O)C1NC1C#C,0.1605
CC1CN2CC2CC1=O,0.2125
CC1NC(=O)CC1C#C,0.2695
N=C(C#N)N1CC(=O)C1,0.2019
COC1C2C3CC3(O)C12,0.3192
CC12OCC1C(O)C2=O,0.1928
CN1C2C3NC3C2C1=O,0.2602
[O-]C(=O)C1[NH2+]CC11CC1,0.2625
O=CC1=CC2COC2C1,0.1909
CC1C2CC3CC2C13O,0.3208
CCC(=O)C1(O)CC1O,0.2108
CC(=O)C1C2CCC1O2,0.2165
[NH3+]CCC(O)CC([O-])=O,0.2791
CC1(C)COC1C(N)=O,0.2626
CC(C=O)C#CC(C)=O,0.2033
[NH3+]CC1NC1C([O-])=O,0.261
c1c(c(no1)C=O)N,0.1552
CC1(CC2CC12O)C=O,0.2256
C[NH2+]CC(=N[O-])C(C)=O,0.1213
COC12CC1COC2C,0.3325
CC12CC3(O)C=CC1C23,0.2378
c1c(oc2n1ncn2)N,0.2265
NC(=O)NCCOC=N,0.2758
O=C1C(OC11CC1)C#N,0.2175
C1NC2COC1C1NC21,0.2863
OC12C3CC=C1C=CC23,0.1729
OC1C2C3NC3C12O,0.2787
CC1C(=O)C(O)C1(C)C,0.2235
CC12OCCC1CC2O,0.3058
CCN1C(C)C1CO,0.2798
CC1=CC2OC1(C)C=C2,0.1999
CC12NC1COC2C#N,0.2768
CC12OC(N)=NC1C2O,0.2653
CCC1CC2CC12,0.3391
CC12OC1C1C(C#C)C21,0.2624
COCC1OC2CCC12,0.3124
N=C1CC=C2CCC2O1,0.249
CC1=NC(=N)OC(N)=N1,0.1974
CCCCCC#N,0.3523
CC12CC3C(C13)C2C#N,0.2931
CC#CC(C)CC(C)O,0.2997
CC12CC1CC(C)(C)C2,0.3349
OCC1=CCC(C1)C#C,0.2595
CC1(C)C2CC(C2)C1O,0.3364
CCC1=C(N)OC(=N)N1,0.2206
OC1(C2CC2)C2CC1O2,0.2932
COC(C=O)C(O)C=O,0.1998
C#CC12CC1C=CC2,0.2433
CN1C(C=O)C1C#N,0.1961
CN1C2C3OCC2(C)C13,0.2891
COC(CO)C(C)C=O,0.2168
CC12NC1C1OC=NC21,0.2596
C1C=CCN1CC#N,0.2348
O=C1NCC2C3OC1C23,0.2469
c1cc(=O)oc(c1N)F,0.1546
CCC1(O)COCC1=O,0.2137
COC1COC2CC12O,0.3046
COCC1NC1C#CC,0.2777
O=C1C=CC2C3CC2C13,0.1801
CC1CC1C1C(C)C1O,0.3083
N=C1NC23CC4C2OC134,0.2444
OC(C=O)C1CCCO1,0.2193
OCC1=CCCN2CC12,0.2369
CC#Cc1c(con1)N,0.1908
COC(CO)C1NC1C,0.2967
O=C1COC(O1)C1CO1,0.2761
CC1C(C)C2(C)OCC12,0.3074
CC12C(O)C1CNC2=O,0.2722
CC1(COC1=N)N1CC1,0.2663
CC(C)OC1OCC=C1,0.2611
O=CC12CN1CC21CO1,0.2031
CC1(C#C)C2CC1C2O,0.2833
COC12CC1(C)OC2,0.3063
N#CC12CC(C1)C21CO1,0.2946
CC1(OCC11CO1)C#N,0.2859
O=CN1C2C3C2C2C3C12,0.2564
CC1(CC1C#C)C1CC1,0.2842
[NH3+]CC#CC#CC([O-])=O,0.1065
CC12CN1C(C)(CO)C2,0.2955
O=C1CC2CC(CO2)N1,0.2669
CN1CCN(C1=O)C=O,0.2379
N#CC1CC=CCN1,0.2495
N#CC12NC1C1CC2O1,0.2646
c1c(c(c[nH]1)NC=O)N,0.2165
OC1CC1C1=CN=CO1,0.222
CCN=c1n(cno1)C,0.219
CC12CC3C=CC1CN23,0.2223
COC1C2CC(C)OC12,0.3027
CC(=O)C1=CCCCC1,0.1971
C1CN=COCC(=O)N1,0.2409
C1C2C3C4C5C(C5N14)N23,0.278
CC1C=CC2NC12C#N,0.2432
CC1OC1C1=CNN=N1,0.2436
Cc1ccnc(=O)[nH]1,0.1802
CCC1CC2C3CC1C23,0.3342
CC1OC1C(O)C1CN1,0.2881
CC1OCC(CO1)(C)C,0.3304
CC1CC11COC1CO,0.303
CCOC1COCC1C,0.3179
Cc1c(=NO)cnon1,0.1698
CNc1cnoc1OC,0.2069
CN1C2COC(C)(C)C12,0.2973
COC(=O)C1COCO1,0.2663
Cn1cccc1C#N,0.2076
Cc1c(n[nH]n1)C(=O)N,0.2249
C1OC2C3CCC12CC3,0.3241
Cn1cccc(c1=O)N,0.1687
CC12CC1N1C2CC1=O,0.2318
N#CCC12CC3CN1C23,0.2861
CC12CCC(C)(OC1)O2,0.3263
Cc1c([nH]cn1)NC=O,0.1956
C(=O)Nc1nc(on1)N,0.2266
COC1C2C3CN=C1N23,0.1913
C#CCCc1ccc[nH]1,0.2376
CC1C2CC3CC2C13C,0.346
Cc1c(n(nn1)C)C#C,0.208
OCC#CC1CC2OC12,0.2738
CCC12NC1CC2=NO,0.239
C1C2C1C1COCCC21,0.3166
c1c(con1)NCCO,0.2076
CCC12C(C)N1CC2=O,0.2157
CC1(CN1)C#C,0.2885
CC1=C(F)C=NC(=N)O1,0.1547
CN1CCN(C=O)C1=N,0.2168
C1C=CC23OC12C1OC31,0.2384
Cc1ccc([nH]1)N,0.2317
CC#CC1NC1C,0.2773
CC(C)(CNC=O)CO,0.2817
CC1C(O)C(=O)N1C=O,0.2092
COC1C2CC(C)=CC12,0.2384
OCC1CN(C=O)C1=O,0.2167
CN(C)c1cc[nH]n1,0.2189
OC1CCC2C3CC3C12,0.3056
CC(C)C1C2C3OC3C12,0.284
OC1C2OCC12C#N,0.2694
CC1C2CC1(O)C=C2,0.2405
N#CC12C3CN=C1OC23,0.1593
NC12C3NC3C1OC2=O,0.2473
C#CC1C2NC1C21CO1,0.2871
CC1CC2(CO2)C2CC12,0.3313
CC1C2(CC2)OC1(C)C,0.3015
N=C1OC(=O)CC11CC1,0.263
C1C2C3C4OCC(C13)C24,0.3276
C#CC1C2C1C1CC2O1,0.2898
C1CC1n2c(=O)[nH]nn2,0.2165
CC(NC1(C)CC1)C#N,0.2736
O=C1C2CC2N2CC12,0.2109
N#CC12CCC1C=CC2,0.263
CC1CC2OC2(C)C1O,0.3238
CCC1COCC1(C)C,0.3115
C#CC1CCCCC=C1,0.2535
CC(=NO)C1C2CC1C2,0.2526
CC1(C)OC2CC12C#N,0.2706
COCc1cnncn1,0.1657
CCC(=O)N1CCC1,0.2685
CCC1(C)C2C3CN3C12,0.2797
COC(C#C)C(C)(C)O,0.302
N#CC12CC3CCC1N23,0.2616
O=CN1CC2CCC1C2,0.2688
CC1(C)C2C(O)C2C1=O,0.2237
c1cnoc1OC2CC2,0.2361
NC(=O)N1CCC1CO,0.2797
CC12COC1C(=N)O2,0.2631
CCC1CCCOC1C,0.3192
c1cocc1CCC=O,0.2047
CC1N(CC=C1C)C=O,0.2455
CC12CCC(CC1=O)C2,0.2228
CC1NC2C(O)C2C1=O,0.2124
C1OC1C12OC3CC1C23,0.3015
CC(C)(CNCC#N)O,0.2696
FC1=COC(=N)C(F)=N1,0.158
CC1CC1C1=CON=C1,0.2376
CC1=CCC2(O)COC12,0.2518
C1CC1C1CCCO1,0.3257
N#CCC12CC3OC1C23,0.2725
CC12C3C1C1OC3C2=C1,0.1949
O=C1CCC2C3C1CN23,0.2074
O=C1OC2CCC2O1,0.3347
NC(=O)OCC(O)CO,0.2865
OC1CC(C2CO2)C1O,0.3185
CC12CC=CC3CC1C23,0.2555
CCn1ccc(c1N)O,0.229
c1nc(c(=O)on1)CO,0.1682
CC1(O)CC1C1CC1,0.3225
OC12C3CC1=CCC23,0.1739
CCCC1(CC1O)OC,0.3204
CC(C)Nc1cc[nH]c1,0.223
CN1CC(C1)(C(=O)N)O,0.2495
CC12COCCC1O2,0.3372
CC(C)CC(C)C(N)=O,0.2775
OC1CN2CC12CC#C,0.2768
CC(O)C1=C(N)NN=C1,0.2376
CCC12CC1(O)CC2C,0.3182
CC1(NC1CCO)C=O,0.2272
C1C2CC3OCC3C12,0.3225
O=C1CCC(N1)C1CC1,0.2736
N=C1OCCC2CCC12,0.2767
CC1OCCCOC1=N,0.2772
C(C=O)C(=O)NC=N,0.2188
Cc1cn2c(c1C)CC2,0.2483
N=COC12CC3OC1C23,0.2492
CC(O)C12CC(O1)C2=O,0.2397
COCC1COCC=C1,0.2649
C1OC2C3OC12C=C3,0.2259
CCC1C(C)C(O)C1C,0.3056
N=C1NN=CC(=O)C=N1,0.1468
CC(CO)C1C(C)N1C,0.2852
NC(=O)C1COC1=O,0.2539
N#CC1CCC=C1,0.2654
CCC1N2CCC12C=O,0.2093
CCC1C2CC1C(=N)O2,0.2856
CC(O)C1COC1,0.3064
OCC1C=CC2CC12O,0.2456
C#CCCc1n[nH]nn1,0.2359
O=C1CC(CC#C)CO1,0.2772
CN=COCC(C)C#C,0.2734
CC(=O)c1c(nno1)O,0.1692
CCC1C2C=CC1C=C2,0.2171
CC(O)C12CC(CC1)O2,0.3135
CC1C(O)CC11CC1,0.3203
CCCCc1nc[nH]n1,0.2679
COCC(C#C)C#CC,0.2907
CC(C)(C)C1OCC=C1,0.2453
NC1=NNC(F)=NC1=N,0.1903
CC(O)C1=NNN=C1,0.2507
c1cc(oc1C2CC2)N,0.211
CC([NH3+])C1=C([O-])C=NO1,0.1535
CCc1c(c(n[nH]1)C)N,0.2312
CCCC(OC)C(N)=O,0.2649
CCN1CC2(C1)OC2C,0.2977
COCCNC(=O)CO,0.2768
OC12CC3C4C(OC13)C24,0.305
CC1C(=O)OC2CC12O,0.268
C1CC2NC2COC=N1,0.2651
CC(C)CC1CC2CC12,0.3321
CC1(CC#C)CCO1,0.2897
c1cc([nH]c1)CCCO,0.2422
CC1NC1C(=O)C1CC1,0.2188
CC12NC1CC2C1CO1,0.2981
CC1COC(=N)NC=N1,0.2337
CC1NC2COC12CO,0.2822
CC1=CC(=N)C=C(F)O1,0.2029
CCC(CN1CC1)C=O,0.2253
COC1COC2CCC12,0.3146
CC1(C)CC2OC(=O)C12,0.2772
CC1OC11CC(C1)C#C,0.3029
CC1C=CC2CC(=O)N12,0.2416
CC1CC2(O)C(C)OC12,0.3018
CC12COC(O1)C1CC21,0.3321
CNc1c(c(n[nH]1)O)O,0.228
C1C2(CO1)COCO2,0.3151
CC(O)C1=CCCC1C,0.2547
CC1CN1C1=CC=CO1,0.22
CCN1C(=N)C=CC1=O,0.173
CC1=CC2(CN2)C2NC12,0.2245
CC1CC2NC(=O)OC12,0.3072
OCCCC1CCCO1,0.3219
Cc1c(nn[nH]1)NC=O,0.224
C#CC(=O)COC(=O)N,0.2056
NC1COC2=NNN=C12,0.219
CC(O)(CO)C(F)(F)F,0.3254
CC1C2CC(=O)CCN12,0.2073
C#CCOc1c[nH]nn1,0.2243
C1OC2C3CC12CO3,0.2797
CCCCOC(=N)CO,0.2968
CCC1CCC(C1)C#N,0.3449
CC1CCC1(C)CCO,0.3385
CC1CCC=CC11CC1,0.2519
CC(CC#C)(C=O)C=O,0.1953
Cc1cnc(oc1=O)F,0.1953
CC1NCC(N)=CC1=O,0.1934
N#CC1C2C3CCC1N23,0.2741
CC1(C)OCC2CC12,0.3292
CN(C(=N)C#N)C(=O)N,0.1995
CC(CC=O)C(C)=NO,0.2282
CC1(C)NC1(CO)C#C,0.2683
OC(C#C)C1CCC1=O,0.2165
NC(=O)CC1CCC=C1,0.2639
CC(O)C(N)=NCC#C,0.259
C1C=CC2NC3C1OC23,0.2386
FC(F)(F)C1=NCCN1,0.235
CCC1CCCC=C1,0.2642
CC1OC=NC2CC12O,0.2479
N#CC1CCCCCN1,0.2679
C1CC1(CO)C#CC#N,0.2262
Cn1ccc(c1CO)N,0.2109
CCC1=CC(C)CC1C,0.2566
CCC1(CC(O)C1)OC,0.3188
CC1C2NC=NC12C#N,0.2445
c1cc(c(=O)oc1)C=O,0.161
Cc1c(cccn1)O,0.2113
CC(C)(C)C1(COC1)O,0.3085
CC1OC2C3OC3C2=C1,0.2263
CC1CC=CC(C)=CC1,0.1944
c1c(oc(n1)N)NC=N,0.1936
CC1N2CC1(C2)OC=N,0.2703
CC1OC(CC1=O)C#C,0.2167
C#CC1OCCCC=C1,0.2465
CCOC1(CC1O)C#N,0.2745
CCOCC1(CO1)C#C,0.2835
C#CC1=C(CCN1)C=O,0.1536
CCC(=O)C1OCC1C,0.2143
CC1(CO)C2NC2C1=O,0.2148
c1c(nncn1)C=O,0.1492
C1C2CC3CC3C=CC12,0.2523
c1cnn(c1CO)C=O,0.2068
CCC1(NC1C#N)C=O,0.2208
Cn1c(c(nc1O)O)O,0.2309
[NH2+]=CNCC1=N[N-]N=N1,0.1478
CC#CC(O)C1CCC1,0.285
OC12CC(C1)OC2,0.302
C#CC12OC1CC1NC21,0.2634
OCC(O)C1CC(O)C1,0.3144
O=C1CN=C2CC3C1N23,0.2093
C(c1c(c(n[nH]1)O)O)O,0.2254
C1C2OC3CCC3C12,0.3032
CCOCC1CO1,0.3407
c1c2n(nn1)C(=O)OC2,0.2284
COC12CC(C)C1C2C,0.3177
COCC1OC1CO,0.3345
COCC1CC1CC=O,0.2251
CC1N2CC2(C)C1=NO,0.2321
CC1CCC(C)C(=N)O1,0.2777
CCOC(=O)C#N,0.2473
N#CC1CNC1C1CN1,0.2673
CC(C)C1N=COC1=O,0.2422
Cc1[nH]nnc(=NC)n1,0.1667
CC12CC(CO)(O1)C2O,0.3207
CC(=O)c1ncnn1C,0.2013
CC12CC1C(CC#N)C2,0.2998
CC(C)(CO)C1CC1,0.337
C1CCC(C1)CC#N,0.3502
c1c(c(n[nH]1)O)C=O,0.2045
OC1CC(C1)C#CC=O,0.2038
CC1OC(=N)CCC=C1,0.2591
C#CC1(CCC1)N2CC2,0.2756
CC1C2C=CC(O)CN12,0.221
CCC(C)(C)COCC,0.3272
CC(=O)OC1CC1C=O,0.2271
O=C1C2OC2CC2OC12,0.2041
CC(=N)N1C=CCC1=O,0.2052
Cc1ncccc(=O)n1,0.1614
CC1(CCOCC1)C=O,0.2212
CC12C3CC1N3C2C#C,0.2619
C1C2N1C13CCC21OC3,0.2591
CC1N2CC2CNC1=O,0.2528
c1cc2n(c1N)CCN2,0.2274
OCCC1C2CC1(O)C2,0.3369
OCC1NC(C#C)C1O,0.2575
CC(C=O)C1CC1O,0.2049
CC1CCC(OC1)C#N,0.289
CC12CC(CC#N)(C1)C2,0.3379
CC12C3CC1CCC23,0.3293
Cc1ccn(n1)CC=O,0.2013
C1C2C3CCOC1C23,0.3231
NC(=O)C#CC(O)CO,0.2332
Cc1cnncn1,0.17
CC1=CCC2(CO2)C1=O,0.1861
CC12CC(C1)C=C2,0.2391
N#CC1CCC2CC2N1,0.2619
Cn1ccc(c1O)CO,0.2301
CC1(C)C2C3OCC3N12,0.271
CN1CC1CN1CC1,0.3075
C1C2OCCC3CCC123,0.3294
c1cnoc(=O)c1C#N,0.165
c1c2c(ncn1)non2,0.1622
CC12CCOCC1N2,0.3146
CC1C2CN2C1CCO,0.3097
C#CC12OCC1C1OC21,0.2528
c1c(c(c(=O)on1)N)F,0.1689
NC1=COC(=N)C(=N)O1,0.1853
CC12CC(N1)C2(C)C#N,0.2769
CCC12C(C)N3C1CC23,0.3046
CCC1CC(C)(O)C1=O,0.2164
CC(=O)CN1CC1C#N,0.231
COC1C2N3CC2(C)C13,0.3076
CC12OC(=O)C1C2O,0.2752
C1CNC=CC(=O)NC1,0.205
CCc1c(con1)N,0.2167
CCC1C2CC(C#C)C12,0.2982
CC1C2C3OC3(C)C12O,0.3139
CC1(N)C(C#N)C1C#N,0.2559
CC1=NC(=N)ON=C1F,0.1613
O=CC(C#C)C1COC1,0.2108
COCCC(C)C#N,0.3018
CC(O)C1(O)C2COC12,0.2935
C1C23CCC12OCO3,0.2977
CC#CCCC(=O)CO,0.2262
C1CC23CCC=C2CC13,0.2402
CN=COCC1(CC1)O,0.2449
CC([NH3+])C1=NOC=C1[O-],0.2144
CC12OC1(C)C1CC21,0.3257
CC(C#C)C1CCC1O,0.3138
N=C1OCC2C3CC1C23,0.2762
O=CC1(OC1C#N)C=O,0.1864
CN1C=NC2CCN=C12,0.22
CC1C=CCC1(N)C#N,0.2604
CC1CC2C3OC1C23C,0.3027
CC1C(O)C(O)C=C1C,0.2542
CC12COCC3CC1N23,0.316
c1c(nco1)C2CC2,0.24
CC12C3OCC1C=CC23,0.2291
CC1OC2OCC1C2=O,0.2073
OC1COC11CC(=O)C1,0.2156
CC12NC1C(O)C2C#N,0.2813
CCC12CC1C1OC21,0.2906
CC(C)COC(=O)CO,0.2744
OC12CCC1CC2C#N,0.2898
CC(O)COC(=O)C#C,0.2267
CCC(O)CC(=O)OC,0.2811
CCC1(N)COC1=O,0.2504
CCC12CC3C1C(C)N23,0.3122
O=C1NC2CCC2O1,0.3149
C1C2OC22CC1OCC2,0.3258
O=C1COC1C#C,0.2149
CC1C([NH3+])C1CC([O-])=O,0.2726
C1C2C3CC4C(CN24)N13,0.2815
C1C2COC3CCOC123,0.3196
C1OC2C3OC=NC2C13,0.2356
CCOCCCOCC,0.3348
OC1CC=C(C=O)C1=O,0.1611
OCCC1C2C3CC3N12,0.2779
CCC1CCOC(C)C1,0.3293
CCC1C2CCC1C=C2,0.2573
OCC#CC1CC1C#C,0.2584
NC1C2CC(O)C12C#N,0.2517
CC1NC(=[NH2+])C1C([O-])=O,0.1802
N#CC1CC2CCCC12,0.3291
Cc1cc[nH]n1,0.2689
O=C1CCCNC1C#C,0.1943
CC1CC2CN2C(=O)N1,0.2849
C1C2C3OC4C1C4OC23,0.2583
CC1OC2(CC12)C=O,0.2191
CC12C3OC3C1(O)C2O,0.2947
OCC1C(O)CN1C=O,0.265
CC1(O)CCCCC1O,0.3171
C1C2CCOC3CC3C12,0.3015
C1C=C(C(=O)O1)C(=O)N,0.1899
NC(C#N)C1=NC=CO1,0.2394
O=CC12C3C4C3C1CC24,0.2131
CC1OC1C1C2CCC12,0.3315
CCn1nc(nn1)C#N,0.2442
C#CCn1ncc(n1)N,0.2166
COC12CCC(CC1)C2,0.3156
CC1COC(C1)C(C)=O,0.2175
OC12CC1CC21CCO1,0.2961
CC12CN1C1(CC21)C#C,0.2426
COC1CCCCC=C1,0.2561
CC1(C)CC(N1)C#N,0.2695
Cc1cnc(nc1F)N,0.2021
CC(=O)C12COC1C2O,0.2204
C#CC1C2OCC=CC12,0.2349
O=CNC12CC3CC1C23,0.2635
COC1C2CC(O)C12,0.3215
CC1C2OC1C2CO,0.3031
CC1NC2(CC1C2)C#N,0.2665
COC1CCC1OC=O,0.279
CC12C=CCC1OC2=N,0.2551
CCNC12CC1OC2=O,0.2363
CC1CC2CCC(C2)C1,0.3606
OC1CC2OCC12O,0.305
CC#CCC(O)C#C,0.2731
CC(OCCC#C)C#C,0.2925
OCC1=CCC2OC2C1,0.2628
C1CC1NC(=O)CC=O,0.2205
OCCCOC(=N)CO,0.2967
Cc1c(=O)cnn(n1)C,0.179
CNC(=O)C1C2CCC12,0.2659
CC1(CCC1O)C#C,0.2941
C1C=CC2C3C4C(C13)N24,0.2381
c1c(nn[nH]1)NC(=O)N,0.2237
CN=C1OCC2C(C)C12,0.2673
C1COc2n1nc(n2)O,0.2485
CN=C1ON=CNC1=N,0.2003
C(C1CN1)C1=COC=C1,0.242
CN1C2CCC2=CC1=O,0.2068
CC#CCC1COC1C,0.2957
CC12CC1C(O)C2(C)O,0.3118
CC1OCCC(=O)CO1,0.2129
OCCC12CN1C1CC21,0.2911
CC(O)CC(=O)N(C)C,0.2667
CCCC1(CC1)COC,0.3308
O=CNC1CC1C=O,0.2247
CCNc1cc(oc1)N,0.2222
CC1C2N3C1C(=O)C23C,0.2338
c1nc(nc(=O)o1)CO,0.1885
c1c2c(on1)COC2,0.2295
CC1C=CCC(=O)C1O,0.2137
CC1(CC#C)CC1CO,0.3085
CCc1cc[nH]c1C,0.2397
CC1(CC(=[NH2+])N1)C([O-])=O,0.247
COCC(C)CCO,0.3312
C1CC12CC(=O)CC=C2,0.2168
COC1C2C(=N)OC12C,0.2729
OCC1(O)CC(C1)C#N,0.3021
CCc1c(c(n[nH]1)C)C,0.2528
CC12OC3C1C2OC3=N,0.2421
C#CC12C3CN4C(C13)C24,0.2532
C1CC11C2OCC3C2N13,0.3172
CC1CC2(C)OCC12C,0.3131
CC#CC12CC3C1N3C2,0.2631
C1C=CC23C4C5C(C24)C135,0.2157
C#Cc1cc(on1)N,0.2022
O1C=C2C=NC=C2C=N1,0.1497
CC(CC#N)C1(C)CN1,0.2869
[O-]C(=O)CC1CC2[NH2+]C12,0.133
OC1C2CC1(C2)C#C,0.2857
OC1CCC2C1C1CN21,0.2883
N#CC1C2CNC1CN2,0.2667
C1CC2OC(C1)C1NC21,0.2983
OC1CNC(=O)C11CO1,0.2521
CC(C=O)C12CN1CC2,0.2156
CCc1cocc1C#N,0.2199
OCC12C3C1C1CC3C21,0.3071
N=C1C=CC=NNC1=O,0.1617
OCCOC1CCC=C1,0.265
CC12N=COC1C2CO,0.2533
Cn1c(nc(=O)cn1)N,0.1873
NC(CCO)C(F)(F)F,0.3334
CN1CC(=O)C12CCC2,0.2007
OC1=C(O)N=CC(=N)O1,0.1315
CC1C2(O)CC2C11CC1,0.316
Cc1c(c[nH]n1)C#N,0.2404
N=CN1CC(=O)CC1=O,0.1947
Cc1cncoc1=O,0.1936