smiles
stringlengths 28
59
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CCCN1CCC(N2CCN(C(=O)c3nccc(C)n3)CC2)CC1 |
CCC(O)C(=O)NC1C2CCN(C(=O)c3ccc(NC)nc3)C21 |
CC(=O)NC(C(=O)N1CCC(n2ncc3ccccc32)C1)C(C)C |
C=C(F)CNC(=O)N1CCC2CN(C(=O)OC(C)(C)C)CC2CC1 |
CC(C)(C)c1nc(C(=O)NCC2(CNC(=O)CC#N)CC2)co1 |
Cc1nn(CC(F)F)cc1NC(=O)NC(c1ncccn1)C1CC1 |
CC(C)(C)OC(=O)N1CC(O)CC(Nc2ncccc2C(F)F)C1 |
NC(=O)C(O)C1CCN(C(=O)c2ccc3c(c2)C(=O)OC3)CC1 |
Cn1cncc1C(=O)NCC(NC(=O)c1ccc(Cl)o1)C1CC1 |
CCCC(O)C(=O)NCC1COCCN1C(=O)c1csnc1C |
CC1CN(C(=O)c2cncc(CO)c2)CCC1NC(=O)CO |
CC(=O)NCC1CC(C)CCN1C(=O)C1Cc2[nH]ncc2C(=O)N1 |
Cc1n[nH]c(C(CO)NC(=O)c2nc3n(c2Cl)CCCC3)n1 |
Cc1cnn(CC(=O)NCCc2cccc(OCC(F)(F)F)c2)c1 |
COc1cccc(NC(=O)NCC2(C3CCC3)OCCO2)c1OC |
CCc1cc(F)ccc1C(=O)N1CCn2c(CC(C)C)nnc2C1 |
O=C(NC1CCC(NC(=O)C(F)(F)C2CC2)C1)c1ccoc1 |
CSC(C)C(=O)N1CCN(C(=O)c2nc(C3CC3)oc2C)CC1 |
CC(C)(C(=O)NCC1CCCN(CC(F)(F)F)C1)c1cncnc1 |
CC(CN(C)C(=O)C1C2CCCC21)NC(=O)C1(C#N)CC1(C)C |
CCn1cc(Cl)cc1C(=O)N1CCOCC1CN(C)C(C)=O |
Cc1cccc(Cl)c1CC(=O)NC(C)c1n[nH]c(C(=O)O)n1 |
CC(C)C1CC1C(=O)NC1CCCCN(C(=O)c2ccco2)C1 |
Cc1n[nH]c(C)c1C(=O)N1CC2C(C1)C2NC(=O)C1=CCCS1 |
CC1CCC(NC(=O)Cc2cn[nH]c2)CN1C(=O)C1CN(C)C1 |
CSC(C)C(=O)NC1CN(C(=O)C2CCCc3ccccc32)C1 |
Cn1cnc(C(=O)NC2CCC3CCN(C(=O)C4CC(O)C4)C32)n1 |
CC(C)(C)c1cccnc1C(=O)NCC1CCCCC1C(=O)O |
CCC(COC)C(=O)N1CC(C)CC(NC(=O)C2CCCCC2)C1 |
COC1CN(C(=O)Cn2cccc2)CC1NC(=O)c1c[nH]nn1 |
CCOC1(C(=O)NC2CN(C(=O)c3cn[nH]c3)CC2O)CCC1 |
CCCC(=O)NC1CCCCC1NC(=O)c1nc(C)oc1OC |
CC(C)(C)CCC(NC(=O)c1cc2ccnn2cn1)C(N)=O |
Cc1cocc1C(=O)N1CCC(C)(CNC(=O)C2(F)CCOC2)C1 |
Cc1nc(C(=O)NC2(CNC(=O)C(O)C(F)(F)F)CC2)c[nH]1 |
CCc1cc(C(=O)NC2(C)CN(C(=O)c3[nH]ccc3C)C2)on1 |
COc1ccc2c(CCC(=O)NC(C)(CO)C(F)(F)F)c[nH]c2c1 |
CC(C)C(C)(C)C(=O)N1CC2CCC2(NC(=O)c2cnsn2)C1 |
CCc1[nH]nnc1C(=O)NC1CC(O)CN(C(=O)CC2CC2)C1 |
COCc1ncc(C(=O)NC2CCCCC2C(=O)N(C)C)c(N)n1 |
O=C(Nc1cnc(C2CCOCC2)nc1)C12CCC(F)(CNC1)C2 |
Cc1ncccc1CC(=O)N(CCCN(C)C)CCc1nn[nH]n1 |
Cc1cc(CC(=O)NCC(C)N(C)C(=O)c2cnc(C)o2)on1 |
COC(=O)C(C1COC1)N(C)C(=O)C(C)OCc1ccccc1C |
Cn1ncc(C(=O)NC2CN(C(=O)c3cc(C#N)c[nH]3)C2)c1F |
CC1(C)CC(NC(=O)CC2CC(=O)C2)CN1C(=O)C1CCC1 |
COC(=O)COc1cccc(C(=O)NC2CCNCC(C)(C)C2)c1 |
CC1CCCC(CC(=O)NC2CC2NC(=O)c2cocn2)O1 |
O=C(CCc1nc(=O)c2ccccc2[nH]1)NCC1(CO)CNC1 |
COC1CC(CNC(=O)Cc2cnc(C)s2)N(c2ccncn2)C1 |
CC1CC(C)C1C(=O)NC(C)(C)CNC(=O)c1cn(C)nc1N |
CCCC(=O)N1CCC(CNC(=O)c2c(C)nnn2C)C1(C)C |
COC1CC1C(=O)NC(C)(C)c1cn(Cc2ccc(C)cc2)nn1 |
CC1CC(CNC(=O)c2cc(Cl)no2)CCN1C(=O)CC1CC1 |
CSc1[nH]c(=O)c(C(=O)Nc2cccc3c2COC3=O)cc1C#N |
O=C(Nc1cccnc1N1CCCC1)N1CCC(CCCO)CC1 |
CC(=O)N1CCC(CC2CCN(C(=O)CC(F)F)CC2)CC1 |
O=C(NCC1CC2CC2N1C(=O)c1cn[nH]c1)C1=C[S+]([O-])CCC1 |
CC(O)(CNC(=O)CC(F)(F)F)CNC(=O)C1(O)CC(F)(F)C1 |
CC(CC(=O)N1CCN(C(=O)CC(C)(C)O)CCC1C)C(F)F |
CCOC(=O)C1(C)CC1C(=O)NCc1ccc(-n2cccn2)nc1 |
COn1cnc(C)c1C(=O)NCc1cccnc1N1CCCCC1 |
CSC1(C(=O)NCC2(C)CCN(C(=O)C(C)O)CC2)CCC1 |
CCOc1cccc(N2C3CCC2c2cc(C#N)c(=O)[nH]c2C3)n1 |
Cn1cncc1C(=O)NCC(C)(C)NC(=O)c1ccc(F)o1 |
CCC(CNC(=O)c1ccccc1F)NC(=O)c1ccc(C)cn1 |
CCC(F)(F)CC(=O)NC1(C)CC(NC(=O)c2ncccc2O)C1 |
CC(O)C(=O)NCC1(C)CCN(C(=O)C2(O)CCOC2)CC1 |
Cc1ccc(C(=O)N2CCCC2(C)CNC(=O)C(C)O)cc1Cl |
CC1CC(C)(C(=O)N2CC(O)C(NC(=O)COC3CCC3)C2)C1 |
Cc1[nH]nc(Cl)c1CNCc1ccccc1CN1CCN(C)CC1 |
CC(C)n1cc2c(n1)C(C(=O)NC(C)(C(N)=O)C(F)F)CCC2 |
CC1(C)CC(NC(=O)c2cc[nH]n2)CN1C(=O)c1cc[nH]c1 |
NC(CCC(=O)N1CCC(C2OCCC2N)CC1)c1ccccc1 |
CCC(C)(CNC(=O)c1cncs1)NC(=O)c1cccnn1 |
COC(C)C(=O)N1CCC(N(C)C(=O)c2cn(C)nc2SC)C1 |
O=C(CC1CCNCCC1(F)F)Nc1ccc2c(c1)COC(=O)N2 |
CC(CC(C)(C)C)C(=O)NCC1CC(O)CN1C(=O)c1c[nH]nn1 |
O=C(NC1CCCC12CN(C(=O)c1ccco1)C2)c1cocn1 |
CC(C)(C)C1CC(C(=O)NC2COCC2NC(=O)CCF)C1 |
CC(CNC(=O)c1cc(N)ccn1)N(C)C(=O)c1ccccc1 |
O=C(NCC1CCN(c2cccnn2)CC1)C1CCC(F)(F)CC1 |
NC(=O)c1ccc(NC(=O)C2CC3(C2)CC3F)c(-n2ccnc2)c1 |
CC1CN(C(=O)C(F)F)CCN1C(=O)C1CCC1n1ccnc1 |
CC(=O)NC1(C(=O)N(C)CC(C)NC(=O)C2CC2C#N)CCC1 |
CCc1cc(C(=O)NC2CC(O)C(NC(=O)C3(C)CC3)C2)nn1C |
Cc1cc(C(=O)NC2CC(C)CN(C(=O)c3cncs3)C2)cn1C |
CCC(=O)NC1CN(C(=O)C2CCC(C(F)(F)F)O2)CC1O |
Cc1cnn(-c2cccc(C(=O)N3CC(C)(C)CCC3CO)c2)c1 |
COCCC(=O)N1CC2CCCC(C1)N2C(=O)C(O)CC(N)=O |
CC(CCNC(=O)C1COCCOC1)NC(=O)c1ccn(C)n1 |
Cc1cc(C(=O)N(C)CC(C)CNC(=O)c2cnc(C)s2)[nH]n1 |
Cc1nc(=O)cc(C(=O)NC2CC(NC(=O)C3CCCO3)C2)[nH]1 |
Cn1cc(C(=O)NC2CCCNC23CCC3)c(C2CCCCC2)n1 |
CC(CN(C)C(=O)C1CC12CC2)NC(=O)c1occ2c1CCC2 |
Cc1cocc1C(=O)NC(CO)CNC(=O)C1CCSCC1 |
COC(=O)NC(C)C(=O)N1CC(NC(=O)COC2CCCC2)C1 |
CC(C)(CNC(=O)C1(C(F)F)CC1)NC(=O)C1COCCO1 |
CC(=O)NC1CCC(NC(=O)Nc2ccn3cc(C)nc3c2)CC1 |
COC(=O)c1[nH]nc2c1CCN(CC(=O)N(C)CC(=O)N(C)C)C2 |
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