smiles
stringlengths 30
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CCC(C)C(=O)N1CCCN(C(=O)c2nc3nc(C)ccn3n2)CC1 |
CC1(C)CC(C(=O)NC2CC23CCN(C(=O)CCC#N)CC3)CCO1 |
CC1(C)CCN(C(=O)c2ncc(F)cn2)C1CNC(=O)C1CCC1 |
COC(=O)C1CN(C(=O)c2nn(-c3ccccc3)cc2C)CC1OC |
CCC1=C(C(=O)NC2CN(C(=O)c3cn(C)cc3C)C2)CCCO1 |
O=C(CC1CCC1(F)F)NC1CC(NC(=O)c2ncccc2F)C1 |
Cn1ccc(CCC(=O)N2CCC(NC(=O)C3CC3C(N)=O)C2)c1 |
Cc1nc(=O)cc(C(=O)NC2C3CCN(C(=O)C4CC(C)(F)C4)C32)[nH]1 |
COc1cc(F)c(C(=O)NC2CC2NC(=O)C2(OC)CC2)c(F)c1 |
COc1c[nH]c(C(C)(C)NC(=O)Nc2ccc3c(c2)CCC3)nc1=O |
CC(NC(=O)N1CCC2(CC1)CC(=O)N(C)C2)c1ccn(C(C)C)n1 |
CC(CNC(=O)c1cnncc1C(F)(F)F)N(C)C(=O)CC1CC1 |
O=C(c1cn[nH]c1)N1CC2CN(C(=O)C(O)C3CCOCC3)CC2C1 |
Cc1nc(CC(=O)N2CC(C3CCN(C(=O)CCF)CC3)C2)c[nH]1 |
Cn1ccc(=O)c(C(=O)NCC2(O)CN(C(=O)CC(C)(C)O)C2)c1 |
CCOC(=O)COc1ccc(CCNC(=O)c2ccc(N)cn2)cc1 |
CC(F)c1ccc(C(=O)N(C)CCN(C)C(=O)C2(O)CCC2)cc1 |
Cc1noc(C(=O)NCCC(C)(C)NC(=O)c2ccsc2C)c1C |
Cc1cccnc1C(=O)NCC1(F)CN(C(=O)C2CCCC(C)O2)C1 |
COC(C)CC(=O)N1CC2(CC(NC(=O)c3cccnc3N)C2)C1 |
CC(C)CNC1(CO)CCN(CCOC(=O)Cc2ccccc2)CC1 |
CC(CF)C(=O)N1CC(O)C(NC(=O)c2cn(CC(F)F)cn2)C1 |
O=C(CCc1ccncc1)NC1CCC(NC(=O)c2ccco2)CC1 |
Cc1conc1C(=O)N1CCC(NC(=O)C2(C3CC3)CCC2)CC1 |
CCn1cccc1C(=O)N1CCN(C(=O)c2cc(C#N)cn2C)CC1 |
Cc1ccoc1C(=O)N1CCC(NC(=O)c2ccc(C)n2C)CC1C |
COc1cccc(C(=O)NCC(=O)NC23CCC(C#N)(CC2)CC3)c1 |
Cn1cc(CC(=O)NC2CCC(NC(=O)Cc3cn[nH]c3)CC2)nn1 |
Cc1cccc(N2CCC(NC(=O)c3[nH]c(=O)c(C#N)cc3C)C2)c1 |
Cc1c(C(=O)NC(C)C2(O)CC2)nnn1-c1ccc2c(c1)OCCO2 |
CCC(=O)NCC1CN(C(=O)c2cc(C)cc3[nH]cnc23)CC1C |
NC(=O)c1cc(F)cc(C(=O)N2CCOCC2Cc2ccccc2)c1 |
COC(=O)Cc1cn(Cc2cccc(C(=O)N3CC=C(F)C3)c2)nn1 |
CC(C(=O)N1CC(NC(=O)CCc2cn[nH]c2)C(C)(C)C1)C(C)(C)C |
CC(C)(C)NC(=O)c1ccccc1C(=O)NCC1(C2CC2)OCCO1 |
COC(=O)Cc1ccc(NC(=O)N2CCc3ccccc3C2)cn1 |
CCN(CCNC(=O)c1c(C)ccc(C)c1O)C(=O)C1CCOC1C |
O=C(CC1CCCCO1)NCC1CC(NC(=O)C23CCC2CC3)C1 |
CC1CCCC1COC(=O)CCNC(=O)c1[nH]nc2ccccc12 |
Cc1cnc(C(=O)NC2CN(C(=O)C3CCN4CCC3C4)C2)cc1C |
COC1(C)CC1NC(=O)c1cccc(Cn2cc(C3(C)CC3)nn2)c1 |
COC1(c2ccc(C(=O)N3CCc4[nH]nc(CO)c4C3)cc2)COC1 |
Cc1cc(C)c(C(=O)N2C3CCC2CN(C(=O)C2CCC2)CC3)cn1 |
CCCC(C)(C)C(=O)N1CCOC(CNC(=O)c2nccn2C)C1 |
CC1CC1(C)C(=O)N(C)CCN(C)C(=O)c1ncccc1C(F)F |
Cc1cc(CNC(=O)Nc2cccn(C3CCC3)c2=O)cc(C)n1 |
CCC(C)C(=O)NC1CC12CCC(NC(=O)Cc1cncn1C)CC2 |
CC(C#N)C(=O)N1CC(C)(NC(=O)Cc2ccc3ccncc3c2)C1 |
Cc1noc(C)c1CC(=O)N(C)CC(C)NC(=O)C12CC(F)(C1)C2 |
CC(=O)NCC(=O)NCC12CC1CN(C(=O)c1cn(C)c(=O)[nH]1)C2 |
CCC(=O)N1CCC2(CCC2)C(NC(=O)c2[nH]cnc(=O)c2F)C1 |
CCc1nc(C(=O)NCC2CN(C(=O)c3c[nH]nc3C)C2)c(C)o1 |
CCC(C#N)C(=O)N1CCC(NC(=O)c2ccn(C)c(=O)c2)C1(C)C |
CC1CN(C(C)C(=O)Nc2cccc(NC(=O)c3cnco3)c2)C1 |
O=C(c1cn[nH]c1)N1CC(CO)C2(C1)CN(C(=O)C(O)CC1CC1)C2 |
Cc1ccc(C(O)CN2CCOCC2CC(=O)c2ccco2)cc1C |
CSCC(=O)N1CCC(NC(=O)c2nnn3ccccc23)CC1C |
CCC(C)(O)C(=O)NC1CCC(O)CN(C(=O)C2(CO)COC2)C1 |
CC(C)(CC1CC1)C(=O)N1CC(NC(=O)C2(C)CC3CCC2O3)C1 |
Nc1cc(C(=O)NC2CCC2CNC(=O)CC2COCCO2)ccn1 |
CC(C)C(C)C(=O)NC1CN(C(=O)C2(c3ccc(C#N)cc3)CC2)C1 |
CCn1ccnc1C(=O)NC1CN(C(=O)c2[nH]ncc2C)CC1(C)C |
CN(C)c1cccc(C(=O)N2CCN(C(=O)C3=CCCS3)CC2)c1 |
CC(=O)N(C)CC(=O)NC1CN(C(=O)Cc2ccc3ccoc3c2)C1 |
CC(C)(C)C(CNC(=O)Cn1nccn1)NC(=O)c1ccccc1 |
CN1CCCN(CCNC(=O)Nc2cc3c(cn2)OCCO3)CC1 |
CCc1occc1C(=O)N1CCCC(O)(CNC(=O)C(C)(C)F)C1 |
CC(=O)N(C)CC(=O)N1CC2CC1CCN2C(=O)Cc1cccs1 |
COC(=O)c1ccc2c(C(=O)N3CC(OC)CC(OC)C3)c[nH]c2c1 |
N#Cc1ccc(CC2CCCN(C(=O)NCCC3CCOC3)C2)cc1 |
CC1OCCC1(C)C(=O)NCC(C)(C)NC(=O)Cn1cn[nH]c1=O |
COc1ccccc1N(CCC(N)=O)C(=O)CN1CC(CO)CC1C |
CCOC(=O)C(Cc1ccc(C#N)cc1)NC(=O)C1CCOC1CC |
N#Cc1cc(F)ccc1NC(=O)NC1CNCC1c1ccccc1 |
COc1ccccc1N1CCC(NC(=O)NCC2COC(C)(C)O2)C1 |
CC(C)(CO)C(=O)NCC1(F)CN(C(=O)c2cc3ncccn3n2)C1 |
CC1CCC(C(=O)N2CC(C)C(NC(=O)c3coc(CO)c3)C2)O1 |
Cc1cc(C)c(C(=O)NCC2CCC2NC(=O)C2CCCC2)c(C)n1 |
CCOC(CN1CCC(=O)N(Cc2cc(C)ccn2)C1=O)C1CCC1 |
CCC1(C)CC(C(=O)NC2CC(O)C(NC(=O)c3c[nH]c(C)n3)C2)C1 |
Cn1ccc(C(=O)N2C3CCCC2CN(C(=O)CCC(F)F)C3)c1 |
COC1CCN(Cc2cn(C)nc2C(=O)NCc2cnc(C)cn2)C1 |
Cc1cc(C(=O)N(C)CC2(NC(=O)C(C)C(F)F)CC2)[nH]c(=O)n1 |
CC1CC2(C1)CC(C(=O)NCC(C)N(C)C(=O)c1ncccc1N)C2 |
Cn1cc(CCC(=O)NC2CCOCC2NC(=O)C2(C#N)CC2)cn1 |
O=C(NC1CCCN(C(=O)CC2(O)CCC2)CC1)C1CCC(O)C1 |
CN(C(=O)c1cnc2[nH]ccc2n1)C1CN(C(=O)C2(C)CC2(C)C)C1 |
Cc1cnoc1C(=O)NCC(C)(C)CN(C)C(=O)C1(F)CCCC1 |
Cc1ccc(C(=O)NC2CCCC2NC(=O)c2ccncn2)c(O)c1 |
Cc1cccc(CC(=O)N2CC(NC(=O)C3CC[S+]([O-])CC3)C2)c1 |
CC(CN(C)C(=O)C1(O)CC1)NC(=O)Cc1ccc2[nH]ccc2c1 |
CCCC(C)C(=O)N(C)CC1CCN(C(=O)c2cc(C)nn2C)C1 |
CCCCC(=O)N(C)C1CN(C(=O)Cc2cncnc2)CCC1C |
CC1(C)CC(NC(=O)c2cnco2)CN(C(=O)c2c[nH]nc2F)C1 |
COC(=O)C1OC2(C)CC1(NC(C)C(=O)Nc1cccc(OC)c1)C2 |
Cn1cccc1CC(=O)N1CCC(C)(C)C(NC(=O)C2CCOC2)C1 |
Cc1ncncc1C(=O)NCC1CCN1C(=O)C1CC12CC(O)C2 |
CC1(C)CCCC1C(=O)NC1CC2CC1N(C(=O)c1csnn1)C2 |
CCc1cccc(C(=O)NCC2CN(C(C)=O)C3(CCC3)C2)c1O |
O=C1CN(C(=O)C2CC2F)CCN1Cc1cn(C2CCCC2)nn1 |
Subsets and Splits