smiles
stringlengths 28
59
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O=C(N1CCN(c2nc(O)cs2)CC1)C1(F)CC1c1ccccc1 |
CN(C(=O)c1nccn1C)C1CC(NC(=O)c2cccs2)C1 |
COc1ccc(C(=O)N2CCCCC2CNC(=O)CC#N)c(C)n1 |
Cc1nocc1CC(=O)N1CCCC(C)(NC(=O)C2CC2(C)C)C1 |
CSCC(C)C(=O)N1CCN(C(=O)Cc2c[nH][nH]c2=O)C(C)C1 |
CC(C)C(C(=O)N1CC(c2nn[nH]n2)(N(C)C)C1)c1cccnc1 |
CC1CCC(OCC(=O)N2CCCC(N3CCOC3=O)CC2)CC1 |
CC(C)(CNC(=O)C1CC1(F)F)NC(=O)c1ccc(O)cc1Cl |
Cc1cnoc1C(=O)NC1CCN(C(=O)C2CC2C#N)CC1(C)C |
Cc1ncc(C(=O)N2CC(C)C(CNC(=O)c3ccon3)C2)o1 |
CC(CO)C(=O)NC1CCN(C(=O)Cc2ccco2)CC1(C)C |
Cn1c(C(=O)Nc2c(O)[nH]c3ccc(F)cc23)cccc1=O |
CCOC(=O)CC(CNC(=O)Cn1cccc(O)c1=O)CC(C)C |
CC(=O)N1CCC(O)(CN(C)C(=O)Cn2ncc(Cl)c2C)CC1 |
NS(=O)(=O)c1ccnc(C(=O)N2CCC(C3CCOCC3)C2)c1 |
COC(=O)c1cccc(NC(=O)C2COCC(C)O2)c1OC(C)C |
CCN1C(=O)COC(c2nc(C(C)(F)F)no2)C1c1ccnn1C |
COC(C)(C(=O)NC1CCN(C(=O)c2ccco2)CC1O)C1CC1 |
Cc1c[nH]c(=O)c(CNC(=O)N2CCC(C(O)C(F)(F)F)CC2)c1 |
CCC1CC(C(=O)NC2C3CN(C(=O)C4(CCO)CC4)CC32)C1 |
CCC(C)(C)C(=O)NCC1COCCN1C(=O)Cc1cnco1 |
COc1cc(OC)cc(C(=O)N2CCN(C)c3ccc(F)cc32)c1 |
CC(NC(=O)C1CC(NC(=O)OC(C)(C)C)CC(C)(C)O1)C(=O)O |
CNC(=O)c1cn(CC(=O)NCC2CC3CCC(C2)N3)nn1 |
CN(C(=O)c1ccoc1Cl)C1C2CN(C(=O)C(C)(C)C#N)CC21 |
COC(C(=O)Nc1cc(F)cc(C(=O)N(C)C)c1)C1CCNCC1 |
COCCC(C)(O)CNC(=O)CC(NC(C)=O)c1ccc(C)cc1 |
Cc1cccc2c1CCC2NC(=O)N1CCC2COC(=O)NC2C1 |
O=C(NCCc1nncs1)Nc1ccnc(OC(F)(F)F)c1 |
Cc1nnc2n1CC(C(=O)N(C)C)N(C(=O)C1CC3(C1)CC3F)C2 |
COCC1CN(C(=O)c2cnn3cc(C)cnc23)CC12CCCC2 |
O=C1CC(C(=O)Nc2ccc(F)c(C(=O)c3ccccc3)c2)CN1 |
CN(CC(=O)N1CCC(NC(=O)C2(CF)COC2)C1)C1CC1 |
C=C(Cl)CCC(=O)N1CC2(CN(C(=O)CC(C)O)CC2CO)C1 |
Cc1ccccc1C(=O)NCC(=O)N1Cc2ccc(CO)cc2C1 |
O=C(Cc1cnn(-c2ccccc2)n1)NC(C(=O)O)C1COC1 |
CC(C)(F)C(=O)NC1CN(C(=O)C(O)c2ccccc2)CC1F |
CN(CCNC(=O)C1CC2CCC1C2)C(=O)C1CS(=O)(=O)C1 |
CC(C)(F)C(=O)N1CCN(C(=O)CNc2ccncc2)CC(O)C1 |
COC(=O)C1(CNC(=O)C(NC(C)=O)C2CCCC2)CC(F)(F)C1 |
COC(=O)C1CN(C(=O)c2ccccn2)CC1c1ccc(O)cc1 |
CC=Cc1cn(C2CCCN(C(=O)CN(C)C(=O)OC)C2)nn1 |
CC(CNC(=O)CC1(O)CCC1)n1cc(C2CCCN2C)nn1 |
Cc1cocc1C(=O)NC1(CNC(=O)CC2CSC2)CCC1 |
CC(CNC(=O)c1cc2n(c1)CCOC2)N(C)C(=O)C(F)F |
CCC(C)C(=O)N1CCN(C(=O)CS(=O)(=O)NC)CC12CCC2 |
CC(C)(CNC(=O)C1(C#N)CCCOC1)NC(=O)C1CCCC1 |
CCC1(C)CC1C(=O)N(C)CC1(O)CN(C(=O)c2ccsn2)C1 |
CCOC(C)C(=O)NC1CN(C(=O)C23COCC2C3(F)F)C1 |
CC1CN(CCc2ccc(C(N)=O)cc2)CC(C)N1CCO |
CC1(C)CCCC(C)(C)C1C(=O)NCC(O)CNC(=O)C1(F)CC1 |
CC1(C)CC(O)CCN(C(=O)Nc2ccnc(-c3ccoc3)n2)C1 |
O=C(NC(C1CC1)C1(O)COC1)c1cnn(CC2CCOCC2)c1 |
O=C(NCC1CCC1NC(=O)C1CC1(F)F)c1ncn2c1CCC2 |
CC(=O)CCc1ccc(OC(C)C(=O)NC(CF)C(F)(F)F)cc1 |
Subsets and Splits