SMILES
stringlengths 15
57
| SPLIT
stringclasses 1
value |
|---|---|
O=C(Nc1cccnc1)c1ccc(C(=O)Nc2cccnc2)cc1 | train |
Cc1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1 | train |
COc1ccc(S(=O)(=O)Nc2cccc(NC(C)=O)c2)cc1 | train |
COc1ccc(S(=O)(=O)Nc2ncccn2)cc1 | train |
COC(=O)CNS(=O)(=O)c1c(C)cc(C)cc1C | train |
CC(=O)Nc1cccc(NS(=O)(=O)c2c(C)cc(C)cc2C)c1 | train |
O=S(=O)(Nc1cccc(F)c1)c1ccc(F)cc1 | train |
CC1CN(S(=O)(=O)c2ccc(F)cc2)CC(C)O1 | train |
O=S(=O)(N=c1cccc[nH]1)c1cc(Cl)ccc1Cl | train |
COC(=O)CNS(=O)(=O)c1cc(Cl)ccc1Cl | train |
Cc1cc(Br)ccc1NS(C)(=O)=O | train |
CCOc1ccccc1NS(=O)(=O)c1ccc(NC(C)=O)cc1 | train |
COc1ccccc1CNS(=O)(=O)c1ccc(NC(C)=O)cc1 | train |
CC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccccc2)C(C)C)cc1 | train |
CC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 | train |
CCC(C)NS(=O)(=O)c1ccc(NC(C)=O)cc1 | train |
CC(=O)Nc1ccc(S(=O)(=O)NC2CCCCCC2)cc1 | train |
CC(=O)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 | train |
COC(=O)c1ccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 | train |
CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(NC(C)=O)c2)cc1 | train |
O=C(c1cccc(Cl)c1)N1CCc2ccccc2C1 | train |
CC(=O)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1 | train |
O=C(c1ccccc1F)N1CCc2ccccc2C1 | train |
COC(=O)c1ccc(NC(=O)c2ccccc2F)cc1 | train |
CC(=O)Nc1cccc(NC(=O)c2ccccc2F)c1 | train |
O=C(c1ccc(F)cc1)N1CCc2ccccc2C1 | train |
CCOC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 | train |
COc1cc(NC(=O)C(C)C)c(OC)cc1Cl | train |
COC(=O)c1ccc(C(=O)OC)c(NC(=O)C(C)C)c1 | train |
COC(=O)c1cc(NC(=O)C(C)C)cc(C(=O)OC)c1 | train |
CC(C)C(=O)N(Cc1ccccc1)c1ccccn1 | train |
O=S(=O)(Cc1ccccc1)Nc1ccccc1F | train |
O=S(=O)(Cc1ccccc1)Nc1ccc(F)cc1 | train |
CCOc1ccc(NS(=O)(=O)Cc2ccccc2)cc1 | train |
COc1ccccc1CNS(=O)(=O)Cc1ccccc1 | train |
CN(c1ccccc1)S(=O)(=O)Cc1ccccc1 | train |
COc1ccccc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 | train |
C=CCN(CC=C)S(=O)(=O)Cc1ccccc1 | train |
CC(NS(=O)(=O)Cc1ccccc1)c1ccccc1 | train |
O=S(=O)(Cc1ccccc1)NCc1ccccn1 | train |
O=S(=O)(Cc1ccccc1)NC1CCCCCC1 | train |
O=S(=O)(Cc1ccccc1)N1CCCCCC1 | train |
O=S(=O)(Cc1ccccc1)N1CCc2ccccc2C1 | train |
CCCN(CCC)S(=O)(=O)Cc1ccccc1 | train |
O=S(=O)(Cc1ccccc1)NC1CCCCC1 | train |
O=S(=O)(Cc1ccccc1)NCc1ccccc1 | train |
COc1ccc(NS(=O)(=O)Cc2ccccc2)cc1 | train |
CN(Cc1ccccc1)S(=O)(=O)Cc1ccccc1 | train |
CN(C1CCCCC1)S(=O)(=O)Cc1ccccc1 | train |
Cc1ccccc1NS(=O)(=O)Cc1ccccc1 | train |
CCN(c1ccccc1)S(=O)(=O)Cc1ccccc1 | train |
CCOC(=O)c1ccccc1NS(=O)(=O)Cc1ccccc1 | train |
O=S(=O)(Cc1ccccc1)Nc1nc2ccccc2s1 | train |
CC(=O)Nc1cccc(NS(=O)(=O)Cc2ccccc2)c1 | train |
O=S(=O)(Nc1cccnc1)c1ccc(Br)cc1 | train |
COC(=O)CNS(=O)(=O)c1ccc(Br)cc1 | train |
O=C(c1cccc(Br)c1)N1CCc2ccccc2C1 | train |
O=C(Nc1ccccn1)c1cccc(Br)c1 | train |
O=C(c1cccc(Br)c1)N1CCOCC1 | train |
C=CCN(CC=C)C(=O)c1ccc(Cl)c(Cl)c1 | train |
O=C(NCC1CCCO1)c1ccc(Cl)c(Cl)c1 | train |
COC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1 | train |
O=C(c1ccc(Cl)c(Cl)c1)N1CCOCC1 | train |
COc1ccc(CNC(=O)c2ccc(OC)cc2OC)cc1 | train |
C=CCN(CC=C)C(=O)c1ccc(OC)cc1OC | train |
COc1ccc(C(=O)NCc2ccccc2)c(OC)c1 | train |
COc1ccc(C(=O)N2CCCCC2C)c(OC)c1 | train |
COc1ccc(C(=O)N2CC(C)OC(C)C2)c(OC)c1 | train |
CCc1cccc(C)c1NC(=O)c1ccc(OC)c(OC)c1 | train |
COc1ccc(C(=O)N2CCCC(C)C2)cc1OC | train |
COc1ccc(C(=O)NCC2CCCO2)cc1OC | train |
CCN(C(=O)c1ccc(OC)c(OC)c1)c1ccccc1C | train |
COc1ccc(C(=O)N2CCc3ccccc3C2)cc1OC | train |
COc1ccc(C(=O)NCc2ccccc2)cc1OC | train |
COc1ccc(C(=O)N2CCc3ccccc32)cc1OC | train |
COc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1OC | train |
CCOC(=O)C1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1 | train |
COc1ccc(C(=O)Nc2ncccc2C)cc1OC | train |
COc1ccc(C(=O)NCc2ccc(C)cc2)cc1OC | train |
COc1ccc(CNC(=O)c2cc(OC)cc(OC)c2)cc1 | train |
COc1cc(OC)cc(C(=O)NCC2CCCO2)c1 | train |
CCCN(CCC)C(=O)c1cc(OC)cc(OC)c1 | train |
COc1cc(OC)cc(C(=O)Nc2ccc(F)c(F)c2)c1 | train |
COC(=O)CNC(=O)c1cc(OC)cc(OC)c1 | train |
COc1ccc(CNC(=O)c2ccc(C)c(C)c2)cc1 | train |
Cc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1C | train |
Cc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1C | train |
Cc1ccc(C(=O)N(C)Cc2ccccc2)cc1C | train |
CCOc1ccc(C(=O)Nc2cccc(OC)c2)cc1 | train |
CCOc1ccc(C(=O)NCc2ccccc2OC)cc1 | train |
CCOc1ccc(C(=O)N(CC)Cc2ccccc2)cc1 | train |
CCOc1ccc(C(=O)N2CC(C)CC(C)C2)cc1 | train |
CCOc1ccc(C(=O)N2CCc3ccccc3C2)cc1 | train |
CCOc1ccc(C(=O)NCc2ccccc2)cc1 | train |
CCOc1ccc(C(=O)Nc2ccccc2OC)cc1 | train |
CCOc1ccc(C(=O)N2CCc3ccccc32)cc1 | train |
CCOC(=O)C1CCN(C(=O)c2ccc(OCC)cc2)CC1 | train |
CCOc1ccc(C(=O)NCCc2ccccc2)cc1 | train |
O=C(Nc1cc(Cl)ccc1Cl)c1ccco1 | train |
O=C(Nc1cccc(Cl)c1Cl)c1ccco1 | train |