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smiles
stringlengths 19
57
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CC(C)(C)OC(=O)CCNS(=O)(=O)CC1CCCCC1(F)F |
CCN1CCN(CC(C)(C)NC(=O)CCC2CC(F)(F)C2)CC1 |
CN1C(=O)N2CCC(C(=O)N3CCC(C(=O)O)(C4CC4)C3)C1C2 |
Cc1cn(C)nc1CNC1CC(=O)N(C)C1c1ccc(F)cc1 |
CNC(=O)c1ccc(CC(=O)NC(c2ncon2)C(C)C)cc1 |
CSCC1(CC(=O)NC(CCc2cnn(C)c2)C(=O)O)CC1 |
CCOc1ccc2c(c1)CCN(C(=O)C1CCC(=O)N1C)C2 |
CC1CC(C)(C(=O)N2CCN(C(=O)CCS(C)(=O)=O)C(C)C2)C1 |
CC1(C(=O)NCC2CN(C(=O)c3cc4n(c3)CCC4)C2)CC1 |
CN1CC(C)(C)CC1C(=O)N1CCCC(N2CCCCC2=O)C1 |
Cc1ccc(C(=O)N(C2CCOCC2)C2COC2)cc1C#N |
O=C(O)c1ccc(N2CCCC3(CCc4ccccc43)C2)nn1 |
CC(=O)Nc1cc(S(=O)(=O)N2Cc3ccccc3C2)ccc1C |
CC(NC(=O)C1NCCOC12CCC2)c1cc(F)cc(F)c1 |
Nc1c(C(=O)NCC2CCOC2C(=O)O)ncc2ccccc12 |
CCOC(=O)c1ccc(S(=O)(=O)NC2COCC2(F)F)cc1 |
CCc1nc(CN(C)C(=O)c2c(OC)cccc2OC)cs1 |
CCN(CC)C(=O)C(C)NC(=O)N1CCC2(CC(C#N)C2)C1 |
CCC(CN1CCOCC1)NC(=O)C(c1cc[nH]n1)C(C)(C)C |
Cc1sc(Cl)cc1CN1CCC(C(=O)N2CCOCC2)CC1 |
O=C(CSCC1CCCCO1)NC1(C(=O)O)CC2CCC1CC2 |
CCCC(NC(C)C(=O)Nc1ccc(F)cc1Cl)C(=O)NC |
O=C(NC1CCCC(OC(F)F)C1)c1cn(CCCF)nn1 |
CC1N(C(=O)c2ccccc2OC(F)(F)F)CCCS1(=O)=O |
CN(C(=O)c1cc2cc(Cl)ccc2[nH]1)C1CCCS(=O)(=O)C1 |
CC(CNC(=O)c1ncc(F)cc1F)N(C)Cc1ccccc1 |
COC(=O)C1(NC(=O)C(O)C2CCCC2)CC(O)C12CCC2 |
CC(C)CC(CO)NC(=O)C1CCC1C(=O)c1ccccc1 |
N#Cc1ccc(C2(C(=O)NC3C4CNCC43)CCCC2)cc1 |
CSc1nc(=O)c(CCC(=O)NC2CC3CC2CN3C)c(C)[nH]1 |
Cc1cccc2c1OCC2C(=O)NCc1ncc(C(=O)O)s1 |
CCOC(=O)c1cccc(C(=O)N2CCC(F)(C(=O)O)C2)c1 |
Cn1c(=O)sc2cc(CN3CC4(C3)OCCCC4O)ccc21 |
COC(C(=O)N1CCN(C(C)C)c2ccccc2C1)C1CNC1 |
CCN(CC)C(C)C(=O)Nc1cn(CC(F)(F)F)nc1C(=O)O |
O=C(c1ccnn1CC1CCC1)N1CCC(O)(C(=O)O)CC1 |
COC(=O)C1COCCN(C(=O)C2CCn3nccc3C2)C1 |
COC1CC(CF)N(C(=O)c2cc3cccnc3nc2C)C1 |
CN1CC(CN(C)C(=O)COc2ncnc3ccccc23)C1 |
N#Cc1ccc(F)cc1NC(=O)N1CCC(n2cncn2)C1 |
COC(=O)C1(C(C)C)CCN(C(=O)C2(C(C)(C)O)CC2)CC1 |
CCC1(CNC(=O)C(OC(C)(C)C)C(C)(C)C)CCC(=O)N1 |
O=C(NCCC1COCCO1)c1cc(-c2ccncc2)ccn1 |
Cn1c(Cl)nc(Cl)c1CNCC12CNCC(=O)N1CCOC2 |
Cc1ccc(C(=O)NCc2ccncc2C(F)(F)F)c(=O)n1C |
CCOC(=O)c1oc(N2CC(O)C(C)(C)C2)nc1C(F)(F)F |
CC(F)(F)CC(=O)NC1CN(C(=O)CC#N)CC12CCOCC2 |
CCn1[nH]c(C(=O)NC2(CC)CCCN(C(C)=O)C2)cc1=O |
CC(NC(=O)c1cc2c([nH]c1=O)CCCC2)C(=O)NCCF |
COCc1nc(Cl)cc(NC(=O)N(C)Cc2ccncn2)n1 |
CCOc1cccc(C2CC2Nc2cnc(C#N)c(C#N)n2)c1 |
O=C(COC(=O)COC1(C(F)(F)F)COC1)Nc1ccccn1 |
CSC1CC(C(=O)N2CC3(CNC(=O)C(C)(C)C)CC2CO3)C1 |
CC(C(=O)NC(CC(=O)O)Cc1ccccc1F)C(F)(F)F |
CCCCc1ccc(C(=O)NS(=O)(=O)c2cccnc2)cc1 |
Cn1cc2c(n1)CCCC2NCc1cnn(CC2CCC2)c1 |
COc1cc(CCC(=O)NCC2CCn3cnnc3C2)on1 |
O=C(Cc1ccc2c(c1)CCC2)NS(=O)(=O)c1ncccc1F |
CCC(CC)(CCN)NCc1ccc(S(=O)(=O)C(F)F)cc1 |
CCc1nn(C)c(CC)c1C(=O)Nc1cccc2c1CCOC2 |
CCN(CC(=O)NC(C)(C)C)C(=O)c1ccnc2c1nnn2C |
Cc1ccc(CN(C(=O)CN(C)CCN(C)CCO)C2CC2)o1 |
Cn1ncc2c(C(=O)N3CC[S+]([O-])C(C)(C)CC3)ccnc21 |
O=C1CC(C(=O)N2CCC(n3nnnc3C(F)(F)F)CC2)CN1 |
CC(=O)NC1CCC(C(=O)NC2CCOCCC2(F)F)CC1 |
O=C(NCCc1nccs1)N1CCC(OCC2CCCO2)CC1 |
Cn1ccc(C(C)(C)C(=O)N2CCCCC2CS(C)(=O)=O)n1 |
CC(=O)OCC1CCCN(CC(=O)C2CC3(CCOC3)C2)C1 |
CCN1OCC(NC(=O)c2sc(C3CCCC3)nc2C)C1=O |
O=C(Nc1ncc(C2CCOC2)s1)C12CNCC1(C(F)(F)F)C2 |
CN(CC1CCCOC1)C(=O)NC1CCOC2(CCSCC2)C1 |
CC1CN(C(=O)c2ccc(CN3CCCCC3)o2)CC[S+]([O-])C1 |
CCC1(N)CCN(S(=O)(=O)c2cccc3cc(C)cnc23)CC1 |
COC1CC(CCN2C(=O)CCN(CCc3nccs3)C2=O)C1 |
CC(F)CCN1CCCN(C(=O)COc2ccccc2)CC1 |
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