SMILES
stringlengths 15
57
| SPLIT
stringclasses 1
value |
|---|---|
COC(=O)c1ccccc1NC(=O)c1cccc(OC)c1 | train |
CCOC(=O)c1ccc(NC(=O)c2cccc(OC)c2)cc1 | train |
COc1cccc(C(=O)NC(C)c2ccccc2)c1 | train |
COc1cccc(C(=O)NCc2ccc(C)cc2)c1 | train |
COC(=O)c1ccc(NC(=O)c2ccc(N(C)C)cc2)cc1 | train |
Cc1ccc(CNC(=O)c2ccc(N(C)C)cc2)cc1 | train |
CC(=O)Oc1ccc(C(=O)NCC2CCCO2)cc1 | train |
CCCN(CCC)C(=O)c1ccc(OC(C)=O)cc1 | train |
CC(=O)Oc1ccc(C(=O)NCc2cccnc2)cc1 | train |
CC(=O)Oc1ccc(C(=O)Nc2cccc(C)n2)cc1 | train |
CC(=O)Nc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 | train |
CC(=O)Nc1ccc(C(=O)Nc2cccc(C)c2C)cc1 | train |
CCOc1ccccc1NC(=O)c1ccc(NC(C)=O)cc1 | train |
CC(=O)Nc1ccc(C(=O)Nc2ccccc2C(C)C)cc1 | train |
CC(=O)Nc1ccc(C(=O)N(C)c2ccccc2)cc1 | train |
CCOC(=O)c1ccc(NC(=O)c2ccc(NC(C)=O)cc2)cc1 | train |
CC(=O)Nc1ccc(C(=O)NC2CCCCCC2)cc1 | train |
CCN(C(=O)c1ccc(NC(C)=O)cc1)c1ccccc1C | train |
CC(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1 | train |
CC(=O)Nc1ccc(C(=O)Nc2cccc(C)c2)cc1 | train |
COc1ccccc1NC(=O)c1ccc(NC(C)=O)cc1 | train |
CC(=O)Nc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1 | train |
CC(=O)Nc1ccc(C(=O)N(C)Cc2ccccc2)cc1 | train |
CC(=O)Nc1ccc(C(=O)Nc2ccccc2C)cc1 | train |
CC(=O)Nc1ccc(C(=O)Nc2ccc(C)cc2C)cc1 | train |
CCN(C(=O)c1ccc(NC(C)=O)cc1)c1ccccc1 | train |
CC(=O)Nc1ccc(C(=O)N2CCCCC2C)cc1 | train |
C=CCN(CC=C)C(=O)c1ccccc1OC(C)=O | train |
CC(=O)Oc1ccccc1C(=O)N1CC(C)CC(C)C1 | train |
CC(=O)Oc1ccccc1C(=O)NCC1CCCO1 | train |
CCOC(=O)C1CCN(C(=O)c2ccccc2OC(C)=O)CC1 | train |
CC(=O)Oc1ccccc1C(=O)Nc1ccccc1C | train |
CC(=O)Oc1ccccc1C(=O)NCCc1ccccc1 | train |
CC(=O)Oc1ccccc1C(=O)N1CC(C)OC(C)C1 | train |
CC(C)(C)c1ccc(C(=O)NCc2cccnc2)cc1 | train |
CC1CCCN(C(=O)c2cc(Cl)ccc2Cl)C1 | train |
O=C(Nc1cccnc1)c1cc(Cl)ccc1Cl | train |
CC(=O)Nc1cccc(NC(=O)c2cc(Cl)ccc2Cl)c1 | train |
CC1CN(C(=O)c2cc(Cl)ccc2Cl)CC(C)O1 | train |
CC1CCCN(C(=O)c2c(Cl)cccc2Cl)C1 | train |
CC(=O)Nc1cccc(NC(=O)c2c(Cl)cccc2Cl)c1 | train |
O=C(c1c(Cl)cccc1Cl)N1CCOCC1 | train |
CC1CN(C(=O)c2c(Cl)cccc2Cl)CC(C)O1 | train |
CCOc1ccc(C(=O)Nc2ccccc2OC)cc1OCC | train |
CCOc1ccc(C(=O)N2CC(C)OC(C)C2)cc1OCC | train |
COc1ccc(CC(=O)Nc2ccccc2C(F)(F)F)cc1OC | train |
CCc1cccc(C)c1NC(=O)Cc1ccc(OC)c(OC)c1 | train |
COc1ccc(NC(=O)Cc2ccc(OC)c(OC)c2)c(OC)c1 | train |
COc1ccc(CC(=O)N2CCCCCC2)cc1OC | train |
COc1ccccc1NC(=O)Cc1ccc(OC)c(OC)c1 | train |
COc1ccc(CC(=O)N2CCc3ccccc32)cc1OC | train |
O=C(CC(c1ccccc1)c1ccccc1)NCc1ccccn1 | train |
O=C(CC(c1ccccc1)c1ccccc1)NCC1CCCO1 | train |
O=C(CC(c1ccccc1)c1ccccc1)Nc1ccncc1 | train |
O=C(CC(c1ccccc1)c1ccccc1)Nc1cccnc1 | train |
CCc1cccc(C)c1NC(=O)Cc1ccccc1OC | train |
COc1ccccc1CC(=O)Nc1ccc(C)cc1 | train |
COc1ccccc1CC(=O)N1CC(C)OC(C)C1 | train |
O=C(Nc1ccccc1F)c1ccc2c(c1)OCO2 | train |
CCc1cccc(C)c1NC(=O)c1ccc2c(c1)OCO2 | train |
COc1cccc(NC(=O)c2ccc3c(c2)OCO3)c1 | train |
O=C(Nc1ccc(F)cc1)c1ccc2c(c1)OCO2 | train |
CCOc1ccccc1NC(=O)c1ccc2c(c1)OCO2 | train |
CCOc1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1 | train |
COC(=O)c1ccccc1NC(=O)c1ccc2c(c1)OCO2 | train |
CC(NC(=O)c1ccc2c(c1)OCO2)c1ccccc1 | train |
O=C(NCc1ccccn1)c1ccc2c(c1)OCO2 | train |
O=C(c1ccc2c(c1)OCO2)N(Cc1ccccc1)c1ccccn1 | train |
O=C(c1ccc2c(c1)OCO2)N1CCc2ccccc2C1 | train |
O=C(Nc1ccc(Cl)cc1)c1ccc2c(c1)OCO2 | train |
COc1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1 | train |
COc1ccccc1NC(=O)c1ccc2c(c1)OCO2 | train |
O=C(c1ccc2c(c1)OCO2)N1CCc2ccccc21 | train |
O=C(c1ccc2c(c1)OCO2)N1CCC(Cc2ccccc2)CC1 | train |
CN(Cc1ccccc1)C(=O)c1ccc2c(c1)OCO2 | train |
O=C(NCCc1ccccc1)c1ccc2c(c1)OCO2 | train |
O=C(Nc1cccc(Br)c1)c1ccc2c(c1)OCO2 | train |
CCOc1cc(C(=O)N(C)C)cc(OCC)c1OCC | train |
CCN(Cc1ccccc1)C(=O)c1cc(OC)c(OC)c(OC)c1 | train |
COc1cc(C(=O)NCc2cccnc2)cc(OC)c1OC | train |
COc1cc(C(=O)N(C)Cc2ccccc2)cc(OC)c1OC | train |
COc1cc(C(=O)Nc2cccc(F)c2)cc(OC)c1OC | train |
CCN(CC)C(=O)C1c2ccccc2Oc2ccccc21 | train |
COc1ccc(CNC(=O)N2CCOCC2)cc1 | train |
COc1ccccc1CNC(=O)N1CCOCC1 | train |
CCC(C)c1ccc(NC(=O)N2CCOCC2)cc1 | train |
CCOC(=O)N1CCN(C(=O)N2CCOCC2)CC1 | train |
O=C(N1CCOCC1)N1CCC(Cc2ccccc2)CC1 | train |
CCOC(=O)C1CCN(C(=O)N2CCOCC2)CC1 | train |
COc1ccc(C)cc1NS(=O)(=O)Cc1ccccc1 | train |
COc1ccc(C)cc1NC(=O)c1ccc(OC(C)=O)cc1 | train |
COc1ccc(C)cc1NC(=O)c1ccccc1OC(C)=O | train |
COc1ccc(S(=O)(=O)N=c2ccc(C)c[nH]2)cc1 | train |
CC(=O)Nc1ccc(S(=O)(=O)N=c2ccc(C)c[nH]2)cc1 | train |
Cc1ccc(=NS(=O)(=O)c2ccc(Br)cc2)[nH]c1 | train |
COc1ccc(C(=O)Nc2ccc(C)cn2)c(OC)c1 | train |
COc1ccc(C(=O)Nc2ccc(C)cn2)cc1OC | train |
COc1cc(OC)cc(C(=O)Nc2ccc(C)cn2)c1 | train |
CC(=O)Nc1ccc(C(=O)Nc2ccc(C)cn2)cc1 | train |
Cc1ccc(NC(=O)c2ccc3c(c2)OCO3)nc1 | train |