smiles stringlengths 1 975 | ID int64 0 23.1M |
|---|---|
Cc1ccc(NC(=S)c2ccccn2)c(C)c1 | 13,000 |
NC(=O)CNCc1cc(Br)cs1 | 13,001 |
CN(C)c1ncc(CN2CCC(C(=O)NCCc3c[nH]c4ccccc34)C2)cn1 | 13,002 |
COc1ccc(NC(=O)Nc2cc(F)ccc2F)cc1 | 13,003 |
COc1ccc(/C(N)=N\O)c2ccccc12 | 13,004 |
Cc1cnc(CNC(=O)CCc2ccccc2C(N)=O)c(C)c1 | 13,005 |
Cc1csc(C(=O)N2CCC(Oc3ncc(F)cn3)C2)c1 | 13,006 |
O=C(NCCc1ccccc1O)c1cc2ccc(F)cc2nc1Cl | 13,007 |
CCCC(N)Cc1nnc(NCC)n1CC | 13,008 |
COc1cc(NC(=O)C(C)NC(C)c2cccc3ccccc23)cc(OC)c1 | 13,009 |
C=CCOc1ccc(CN(C)C(=O)c2ccnc(-n3ccnc3)c2)cc1 | 13,010 |
CN1CCN(CCCCN)c2ccccc21 | 13,011 |
CCc1ccc(-c2noc(-c3nn(-c4cccc(C)c4)c(=O)c4ccccc34)n2)cc1 | 13,012 |
CC1CCN(S(=O)(=O)c2ccc(C(=O)N[C@]34CCC[C@H]3OCC4)s2)CC1 | 13,013 |
CCS(=O)(=O)c1ccc2c(c1)OC(=O)CN2CC(=O)N1CC(C)CC(C)C1 | 13,014 |
Cc1ccn2c(CC(=O)NCCCN(C)C)c(-c3ccc(C)c(C)c3)nc2c1 | 13,015 |
Cc1cc2nc(NC(=O)NC(C)C)cc(N(C)C)n2n1 | 13,016 |
CC(C)n1cnnc1CC(=O)N1CCCC1CC(F)(F)F | 13,017 |
CC(C)CNC(C#N)c1ccc(C(C)(C)C)s1 | 13,018 |
COC(=O)c1cc(CO)c(Br)cc1OC(F)(F)F | 13,019 |
Cc1cccc(NC(=O)c2ccccc2NC(=O)CSc2nnc(-c3ccccc3F)n2C)c1 | 13,020 |
CCCCCC(=O)Nc1cc(-c2nc3ncccc3o2)ccc1C | 13,021 |
Cc1ccc2c(C(=O)Nc3ccc(C#N)cc3)c(C)[nH]c2c1 | 13,022 |
CCC(CC)C(=O)NC(c1ccccc1)C(C)C(=O)O | 13,023 |
Cc1cc(CNC(=O)c2cccn3c(=O)[nH]nc23)n(C)n1 | 13,024 |
CCC(CC)N(CC(C)C)CC1CCNCC1 | 13,025 |
CCC1CCC(NCC2CCCCS2)CC1 | 13,026 |
COc1ccc(-c2nn(-c3ccccc3C)cc2CN(C)Cc2cnccn2)cc1F | 13,027 |
CNC(C)(CO)c1ccc(Cl)cc1 | 13,028 |
Cc1ccc(C(C(=O)O)C2CCCC2)cc1C | 13,029 |
CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1c(C)c2cc(CC)ccc2n1CC | 13,030 |
CC(=O)C(O)c1cccs1 | 13,031 |
CCOc1ccc(C2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CC2CCCO2)cc1 | 13,032 |
CC1=C(C(=O)Nc2ccccc2C)C(c2ccccc2C(F)(F)F)NC(=O)N1 | 13,033 |
Cc1n[nH]c(C)c1S(=O)(=O)NC1(c2ccc(Cl)cc2)CC1 | 13,034 |
CC(C)(O)CCN1CC(C)(C)OC(C)(C)C1 | 13,035 |
CCOc1ccc(NC(=O)CSc2nc(-c3ccc(Br)cc3)cc(C(F)(F)F)c2C#N)cc1 | 13,036 |
ClCc1cccc(-c2ccc(Cl)cc2Cl)c1Cl | 13,037 |
O=C(NCCCN1CCCCC1)c1ccc2c(=O)n(-c3ccc(F)cc3)c(N3CCCC3)nc2c1 | 13,038 |
O=C(NCCNC1CC1)NC1CC1 | 13,039 |
Cc1cc(F)ccc1S(=O)(=O)NCC1CCN(c2ccccn2)CC1 | 13,040 |
CC1CC1C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 | 13,041 |
CCOC(=O)N1CCc2c(sc(NC(=O)/C=C/c3ccccc3)c2C(N)=O)C1 | 13,042 |
N#Cc1ccc(NCC(c2cccs2)N2CCCC2)nc1N | 13,043 |
CCc1oc2ccccc2c1C(=O)N1CCCC(CCN)C1 | 13,044 |
CCN(CC(C)C#N)S(=O)(=O)N1CCCCC1C(=O)N1CCOCC1 | 13,045 |
Cc1cc(Cl)ccc1NC(=O)c1ccc(C(C)C)nn1 | 13,046 |
Clc1ccccc1CNc1ccccc1I | 13,047 |
Cc1cc(C(Cl)c2cc(C)c(F)cc2F)c(C)s1 | 13,048 |
CNS(=O)(=O)Cc1ccccc1CNC(=O)Cc1csc(-c2ccc(OC)c(OC)c2)n1 | 13,049 |
CCCC(=O)C1Cc2ccccc21 | 13,050 |
[N-]=[N+]=Nc1ccc(C(F)(F)F)nn1 | 13,051 |
Cc1ccc2cnc(N=C=S)cc2c1 | 13,052 |
CCc1nc(C)cc(-n2cnc(C(=O)O)c2)n1 | 13,053 |
C[C@@H]1CN(C(=O)Nc2ccccc2)C[C@H](C)N1C | 13,054 |
CC(C)(C)c1ccc(OCCCC(=O)N2C3CCNCC2CC3)cc1 | 13,055 |
COCc1nc(CC2(O)CCNCC2)cs1 | 13,056 |
Cc1cc2c(cc1CN1CCCCC1CCn1ccnc1C)OCO2 | 13,057 |
O=C(O)c1c(C(F)(F)F)ccc(S)c1Br | 13,058 |
COc1ccc(C)cc1CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1 | 13,059 |
COc1ccc(-c2csc3nc(SC(C)C(=O)Nc4cc(C=O)ccc4O)[nH]c(=O)c23)cc1C | 13,060 |
CC(c1nc(N)nc(N(C)C)n1)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 | 13,061 |
CC1(O)CCCN(C(=O)c2cncs2)C1 | 13,062 |
COc1ccccc1CNC(=O)CSC1=NCCS1 | 13,063 |
NCC(CO)c1cc[nH]c1 | 13,064 |
CCS(=O)(=O)N1CCC(C(=O)N2CCC(C)c3cccc(O)c32)CC1 | 13,065 |
CCCOC(=O)c1ccc(Oc2c(C(F)(F)F)oc3cc(OC(=O)c4ccc(F)cc4)ccc3c2=O)cc1 | 13,066 |
COc1ccc(C(=O)NC2(c3ncc[nH]3)CCOC2)cc1F | 13,067 |
COc1ccc(NC(=O)c2sc3nc(-c4ccccc4)cc(-c4ccccc4)c3c2N)cc1 | 13,068 |
Cc1ccc(-c2nc(C)c(F)c(N)n2)cc1C | 13,069 |
Cc1ccn(C)c(=O)c1NC(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 | 13,070 |
CN1CCN(C(=O)NC2CC(=O)N(C(C)(C)C)C2)CC1 | 13,071 |
Cc1cnc(C(=O)N2CCC(c3nc(C)c(-c4ccnc(C)n4)s3)CC2)cn1 | 13,072 |
O=C(NCc1cc2n(n1)CCCC2)c1ccnc(OC2CCOC2)c1 | 13,073 |
CC1(C)OB(c2ccn(Cc3cccc(C#N)c3)n2)OC1(C)C | 13,074 |
CC1CCCC2(CNCC2C)C1 | 13,075 |
CN1CC2=C(C1=O)C(c1ccc(Cl)cc1)NC(=O)N2 | 13,076 |
CC(Nc1nnnn1C)c1cccc(F)c1 | 13,077 |
Cc1cc(C(=O)C2(C)CCCC2)cs1 | 13,078 |
Cc1cn2nc(N3CCN(c4cccc5[nH]cnc45)CC3)sc2n1 | 13,079 |
Cc1c(-n2ccnc2C2CC=CCC2)cc2[nH]cnc2c1C | 13,080 |
CC(C)CCNc1ccc(C(=O)Nc2ccc(Cl)cc2)nn1 | 13,081 |
CCN(CCNC(=O)N1CCC(O)(C(N)=O)CC1)C1CC1 | 13,082 |
CNC(=O)c1c(NC)ncn1C | 13,083 |
COC(=O)C(C)Nc1cccc(OC)n1 | 13,084 |
Cc1cnc(NCC(C)O)cc1N | 13,085 |
CC1CCCC(NC(=O)CC#N)CC1 | 13,086 |
CC(=O)N(CCC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1 | 13,087 |
CC(C(=O)NC1CCN(C2CCOCC2)CC1)n1cccn1 | 13,088 |
COc1ccc(CC(=O)Oc2ccc(C(=O)COc3cc([N+](=O)[O-])ccc3N3C(=O)CCCC3=O)cc2)cc1 | 13,089 |
CC1CN(c2ccccc2CNCCCCCCC(=O)O)CC(C)O1 | 13,090 |
CCCCN(CC)c1ncc(CN)s1 | 13,091 |
CC(=O)Nc1cccc(C(=O)NCc2cc3ccccc3[nH]c2=O)c1 | 13,092 |
NC(=O)C1CN(C(=O)CSc2ccccc2Cl)C1 | 13,093 |
CN(C)Cc1noc(-c2ccc(N)c(F)c2)n1 | 13,094 |
Cc1cccc(Cn2nc(C)nc2COCC(N)=O)c1 | 13,095 |
CC(=O)N1CCc2c(nc(-c3ccncc3)nc2NCCn2cccn2)C1 | 13,096 |
Cc1cnc(N2CCCC(N3CCCC3)CC2)c([N+](=O)[O-])c1 | 13,097 |
Cc1ncncc1C(=O)N1CCC2(CCCCc3ccccc3OCCN(Cc3ccccn3)C2)CC1 | 13,098 |
Cc1ccc(C)c(N(CN2C(=O)C3C4C=CC(C5CC45)C3C2=O)C(=O)c2cccc([N+](=O)[O-])c2)c1 | 13,099 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.