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smiles
stringlengths 19
57
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COC(=O)c1cc(C)cc(C(=O)OCC23CC(C2)C3)c1 |
CC(O)CC(=O)NCC1CCCN(C(=O)C2(C)CCC2)C1 |
CCCC(=O)NC1COCC1NC(=O)C1CC(C)(C)CO1 |
O=S(=O)(NCC1(CCO)CCOCC1)N1CC2CCCCC2C1 |
CCc1sc(C(=O)N(CCNC(C)=O)C2CC2)cc1C |
CCOC(=O)N(C)CC(=O)NC(C(=O)O)C1CCOC1 |
COc1ncnc(N(C)C)c1NC(=O)C(C)c1ccc(C)s1 |
CC1CSCC1NC(=O)Nc1nn(C)cc1S(C)(=O)=O |
Cn1ccnc1C(=O)Nc1cc(C(N)=O)nc(Cl)n1 |
CCS(=O)(CC)=NS(=O)(=O)N1CC2(CC(=O)NCC2O)C1 |
NS(=O)(=O)c1cc(-c2ccc(C(F)F)c(F)c2)ccc1O |
NC(CC1CCOCC1)C(=O)NCC1CC(F)(F)CO1 |
COc1nn(C)cc1CNC(=O)CCn1c(C)ccc1C |
COC1(CNC(=O)C2CCC(OCC3CCCO3)CC2)CCC1 |
CCOC(=O)C1CN(C(=O)NCc2nc(C)no2)CC12CC2 |
O=C(N1CCOC2(CCCNC2)C1)C1(C(F)(F)F)CCCCO1 |
O=C(NCC1COCCN1C(=O)C(F)F)c1cncs1 |
CC(=O)NCCC1(C)CCN(C(=O)C2CCC(C)O2)C1 |
Cc1cnc(N2CCC(C(C)(C)C)CC2)nc1S(C)(=O)=O |
Cc1occc1C(=O)N1CCN(c2nnc(C3CC3)o2)CC1 |
Cn1nnc(CNCC2CCN(C(=O)C(C)(C)C)C2)n1 |
O=C(O)C(CN1CCCC1)NC(=O)C1(CO)CC(F)(F)C1 |
CC(=O)NC1CCOC(CNC(=O)c2cc(C)nn2C)C1 |
O=C(NC1CC[S+]([O-])C1)c1ccc(Cn2ccccc2=O)o1 |
CCCC1(C(=O)NC2CCC2NC(=O)C2C(C)C2C)CC1 |
CC(NC(=O)Cn1cc(C#N)c(=O)[nH]c1=O)C1CCNC1 |
O=C(CCC1CCC1)NCC1(c2ccncc2F)CC1 |
CC(=O)N1CC2CCCC(NC(=O)CC(C)C(C)C)(C2)C1 |
O=C(C1NCCc2ccccc21)N1CC2CSCC1C2 |
CC=Cc1cn(C(C)CNC(=O)C2CC(F)(F)C2)nn1 |
CC1(C)Cc2cc(C(=O)NCCn3cnnn3)sc2C1 |
CN(CC(C)(C)CNC(=O)c1c[nH]nn1)C(=O)C(C)(F)F |
NS(=O)(=O)CC(=O)N1CCOC(CNC(=O)C2CCC2)C1 |
CC(C)NC(CO)C(=O)N1CCC(O)(C2CCC2)CC1 |
O=C(CO)NC1(CNC(=O)c2ccc(C(F)(F)F)[nH]2)CC1 |
Cc1ccc(S(=O)(=O)NC(=O)c2cncn2C)c(F)c1 |
COCC(=O)C1CCCN(C(=O)C(C)c2nccs2)C1 |
CCOC(=O)N1CC(CO)C(NCCC2OCCO2)C1 |
Cc1ccnc(C(=O)NC2(c3nn[nH]n3)CCC2)c1O |
Cc1cccc(OC(C)C(=O)N2CCC(C)(C(N)=O)C2)c1C |
CC(=O)Nc1nn(C)cc1S(=O)(=O)NC(C)(C)CC(F)(F)F |
Cc1nccc(S(=O)(=O)NCCc2cccnc2)c1Cl |
CC(C)(O)C(=O)N1CCN(C(=O)C2OC3CCC2C3)CC1 |
CS(=O)(=O)CC1CC(NC(=O)Nc2nc3sccc3s2)C1 |
Cc1cc(CN)ccc1-c1ccc(S(N)(=O)=O)c(F)c1 |
COCCC1(NC(=O)c2ccc([S+]([O-])C(C)C)cc2)CCC1 |
CSCC1CC(NC(=O)N2CC3C(C2)C3(F)F)C1 |
CC1CC1NC(=O)Cn1ncc2ccc(Br)cc2c1=O |
O=C(NCc1cc[nH]c(=O)c1)Nc1nc(Cl)ncc1Cl |
CC(C)CCC(C)(NC(=O)C1CCC(C)(C)CO1)C(=O)O |
COC(=O)c1cc(F)c(C)cc1NC(=O)C1CC1C1CC1 |
Cc1cc(NC(=O)c2[nH]nc(N)c2Br)cs1 |
NC1(CCO)CN(C(=O)c2ccc(C3CCCN3)cc2)C1 |
COCc1cccc(-c2cc(S(N)(=O)=O)ccc2F)c1 |
O=C(C1CC2CC(O)C(C2)C1)N1CCS(=O)(=O)NC1 |
CSC1CCCCC1NC(=O)NCC1(CCCO)CC1 |
O=C(Nc1cc2cc(F)ccc2cn1)NC(CO)C1CC1 |
COC(=O)C1C2CCC1N(Cc1cncc(OC)n1)C2 |
CC(CNC(=O)Cc1cnoc1)NC(=O)c1sccc1F |
COC(=O)c1cc(C)cc(NC(=O)C(O)CC(F)F)c1 |
CSCC(=O)N1CC(C)(C)CC1CNC(=O)CC(C)F |
Cc1[nH]nnc1COC(=O)c1ccccc1OC1CC1 |
CNC(=O)C1(COC)CCCN1C(=O)C(N)Cc1ccccn1 |
CC(NC(=O)c1cc2ccccc2c(=O)o1)C(=O)C1CC1 |
O=C(Cc1ccc(Br)cc1)NC1CNC2CC21 |
CN(CC1(CN)CC1)C(=O)c1cc2scc(Cl)c2[nH]1 |
O=C(CC1COC(C(F)(F)F)C1)Nc1cnnn1C1CC1 |
CSCCC(=O)N1CCC(Cn2cc(CO)nn2)C1 |
COC(=O)C1CC1C(=O)N1CC(NC(C)=O)C(OC)C1 |
CCn1cc(CCNC2CC(C(=O)OC)C2(C)C)cn1 |
CCCC(C)C(=O)NC1CC1NC(=O)c1ccccn1 |
CC(C)C(=O)N1CC2(CCN(C(=O)C3CC(F)C3)C2)C1 |
CC(C)c1cnc(NC(=O)NCC2(O)CCSC2)nc1 |
COCC1(NC(C)=O)CN(C(=O)C2(C)CCC(=O)N2)C1 |
COC(=O)c1[nH]ncc1NC(=O)Cc1ccc(O)c(F)c1 |
CC1Cc2cc(C(=O)NC3CC4(CNC(=O)C4)C3)ccc2O1 |
OCC(Cc1ccc(F)cc1F)NCC12CC(F)(CO1)C2 |
NCc1nc(C(=O)NC2CCOCCC2(F)F)c(N)s1 |
CC1(F)CC(NC(=O)C2C3COC(C)(C)OCC32)C1 |
COc1cc(-c2noc(CNC3CC3)n2)ccc1OC(F)F |
Cc1cc(NC(=O)N2Cc3[nH]ccc(=O)c3C2)[nH]c(=O)n1 |
CC(C)OC1(C(=O)Nc2ncc(C#N)cc2C#N)CCC1 |
CC(F)CC(=O)NC1CC(C)(NC(=O)c2ccn(C)c2)C1 |
CC(C)c1ccc(CC(=O)NCC2(O)CCC2)cc1F |
COC(=O)CC1CC(OC(=O)COc2ccsc2Cl)C1 |
CCC(=O)N1CCC2CN(C(=O)c3scnc3C)CC2C1 |
N#CCC1(Cn2cc(CC3(C(=O)O)CCCO3)nn2)CC1 |
O=C(NC1CCOC1=O)c1cc(-n2cccc2)ccc1Cl |
Cc1cc(C(=O)N2CCN(Cc3ccncc3Cl)CC2)c(C)o1 |
Cc1nc(CO)sc1C(=O)N1CCOCC1C(=O)O |
Cn1cc(C(F)(F)F)cc1C(=O)NC1C(F)(F)C12CC2 |
CN(Cc1nnnn1C)C(=O)C1CCC2NCCC2C1 |
CCCC(=O)N1CCC2C(NC(=O)c3cn(C)nn3)CC21 |
c1nc2nc3c(c(N4CCCNCCC4)n2n1)CCC3 |
O=C(N(C1CC1)C1CCOC1)C(F)(F)C1(O)CCCC1 |
Cn1nc(C(F)F)cc1C(=O)OC1CC2OC(=O)OC2C1 |
Cc1c(Br)ccc(NC(=O)c2n[nH]c(=O)[nH]2)c1C |
CC(CCO)NC(=O)NC(c1ccc2c(c1)OCCO2)C1CC1 |
O=C(NC1CCC(O)C1)C1CCCN1c1ncccn1 |
CCOCc1ccc(NC(=O)NCc2ccnn2C)cc1 |
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