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smiles
stringlengths 18
54
|
|---|
Cc1ccc(O)cc1C(=O)N1CCC2(CCC(O)C2)CC1 |
CCCC1CC1C(=O)NC1CCN(c2nc[nH]n2)CC1 |
CC(C)(NC(=O)C1C2CCCOC21)c1ccccc1F |
CC(C#N)CN(C)S(=O)(=O)N1CCC2OCCC2C1 |
O=C(NCC1CCN(c2ccc(F)cc2)C1)C1CC(O)C1 |
COCC(=O)N1CCC(NC(=O)C2CCC(C#N)C2)CC1 |
CNS(=O)(=O)CCN(C)C(=O)OC(C(C)C)C(C)C |
Cc1nnc(NC(=O)C2CCC3(CC2)CC(N(C)C)C3)s1 |
Cc1cc(=O)n(C)cc1NC(=O)C1CC2CNCC2C1 |
CCC1(CNC(=O)c2cccn(C3CC3)c2=O)COC1 |
O=C(NC1CCCNC1)c1ccc(-n2cnnn2)cc1Cl |
CC(NC(=O)c1ccccc1-n1cccn1)C1COC1 |
CCOc1cc(CN(C)CC2CN(C)C2)ccc1OC |
COc1c(C)ncnc1N1CCC(O)(C(F)F)CC1 |
CC(C)(NC(=O)c1csc(-c2ccccc2)n1)C(=O)O |
COC(=O)C(CC(C)C)NS(=O)(=O)CC1CCC(C)CO1 |
CC1C(C)C1NC(=O)CC1Cc2ccccc2NC1=O |
CCC(C)CCC(=O)NCCS(=O)(=O)C(C)(C)C |
NCC1C(C(=O)NC2CC3(C2)C(F)(F)C32CC2)C1(F)F |
COC(=O)N1CCC(CNC(=O)C(C)(C)CC2CC2)C1 |
Cc1sc(=O)n(CCC(=O)N(C)C2CNCC2O)c1C |
Nc1cc(C(=O)N2CC3CCC2C(C(=O)O)C3)ncc1Cl |
O=C1CCCc2sc(NS(=O)(=O)c3ccc(F)s3)nc21 |
CCC1(F)CCN(c2ncnc3c2S(=N)(=O)CCC3)C1 |
CN(CCC(=O)NC1CC1)C(=O)Cc1cccnc1N |
CC(C)CC(NC(=O)COC1(C)CCOCC1)C(N)=O |
CC(C)N1CCCC(NC(=O)c2ncc(Br)s2)C1 |
CCC(Oc1ccccc1F)C(=O)OC1CC[S+]([O-])CC1 |
CC(N)CCNC(=O)C1CCCN1C(=O)Cc1cccs1 |
Cn1nc2cccc(S(=O)(=O)NC3CC(C(F)F)C3)c2n1 |
CNCC(O)CN(C)C(=O)CCNC(=O)c1ccccc1 |
CN(CC1CCCCC1O)C(=O)c1cnn2ccn(C)c12 |
N#Cc1ccc(CN2CCCC(O)(CO)C2)c(Br)c1 |
COC1(C)CN(C(=O)Nc2c(C)c(C(F)(F)F)nn2C)C1 |
CCC(CCCO)NCc1ccc(S(=O)(=O)N(C)C)s1 |
CCC(c1ccncc1)N(C)CC(=O)C(N)C(C)(C)C |
Cn1ncc(C(=O)N2CCN(c3ccccc3)C(=O)C2)n1 |
COc1ccc(C)cc1CNC(=O)c1cc(CO)n(C)n1 |
COc1cc(CN2CCOC(CN(C)C)C2)sn1 |
CC1(C)CN(C(=O)C2CCCc3c(O)cccc32)CCN1 |
NC(=O)C12CCC(CC1)N2C(=O)NCC1CNCCCO1 |
Brc1cnc2[nH]c(CN3CCC4(CC3)COC4)nc2c1 |
COC(=O)CCC(C)NC(=O)NCC(CO)C(C)C |
Cn1nnc(C(=O)Nc2cc(F)ccc2NC2CC2)n1 |
Cc1[nH]nc2c1CC(NC(=O)N1CC(C)(C)C1CO)CC2 |
CC(C)Cc1ccc(C(=O)N2CC3CNC(C3)C2)cc1 |
CCC(F)(F)CCNS(=O)(=O)C1CCCNC1 |
CCC(C)C(CO)NC(=O)CCC(=O)c1ccc(Cl)s1 |
CC1(C)CC(CNC(=O)c2ccc(O)cc2Cl)CCO1 |
CC(Cc1ccc(Cl)cc1)N(C)CC1(CO)COC1 |
CCC1C(C(=O)Nc2ccc(CCOC)cc2)CCN1C |
CC(C)n1nccc1S(=O)(=O)NC1CC(CN)C1(C)C |
Cc1nccn1CC(C)CNC(=O)N(C)Cc1cncs1 |
COCC1(CNC(=O)N2CC(C#N)(CCF)C2)CCCO1 |
CNc1scnc1C(=O)N1CC(C)(CC(F)F)C1 |
Cc1cccc(F)c1S(=O)(=O)N1CCC(C2CCCN2)C1 |
COc1cc(O)cc(NC(=O)c2cnn(C(C)C)c2C)c1 |
CC(C)C(C)(C)NC(=O)NC1COCC1n1ccnn1 |
CC(C)(F)CNC(=O)NCc1ccc(O)c(Cl)c1 |
Cc1cc(C)cc(CN(C)C(=O)C2CN(C(N)=O)C2)c1 |
CCn1ccc(C(=O)NCC2CCn3ccnc3C2)n1 |
COC1CN(S(=O)(=O)N2C3CCCC2CC(F)(F)C3)C1 |
CCOC1CC(Cc2nc(C(C)(CC)C(N)=O)no2)C1 |
CCNC(=O)CNC1CCOCCC1C(=O)OCC |
CCC1CN(S(=O)(=O)c2cc(C(=O)O)cs2)CCO1 |
CC(Cc1nccn1C)Nc1nccc(C(F)(F)F)n1 |
CCOC(=O)C1CC(F)(C(=O)NCC(O)c2ccoc2)C1 |
Cc1nc(S(=O)(=O)NCC(F)(F)c2cccnc2)c(C)s1 |
CN(C)C(=O)C1CC(O)CN1C(=O)CCC1(N)CCOC1 |
Cc1nn(C)c(C(=O)N2CCSCCC2C)c1Br |
CC(C)(C)C1NCCC1NC(=O)C1C2CC(F)(F)CC21 |
CC(F)(F)COC(=O)C1(c2ccccc2F)CC(=O)C1 |
NC(=O)NCC1CCCN1C(=O)C1(C(F)F)CCNCC1 |
Cc1cc(C(C)NC(=O)CS(=O)(=O)NC2CC2)[nH]n1 |
O=C(c1cc(Cl)no1)N1CCC(O)C1c1cccc(F)c1 |
O=C(O)c1ccc(C(=O)N2CCC3CC32)cc1Br |
Cc1nn(CC(C)C)c(C)c1CC(=O)NCC1(O)CC1 |
CC(C)C(NC(=O)C1(C)CCC(N)C1)c1nncn1C |
CCn1nc(Br)nc1CNC1CC1CC(C)(C)C |
CCN(CC(=O)N(CC(F)(F)F)C(C)C)C(C)C(=O)O |
CCC1CC1CNC(=O)NCC(C)Nc1ccccc1 |
O=C(CC1CCC1)NCC1Cc2ccccc2NC1=O |
O=C(CN1CCCCC1)NC1C2Cc3cc(F)ccc3C21 |
O=C(C1CSCCS1)N1CC(Cc2cc[nH]n2)C1 |
O=C(NCc1ncccc1Cl)C1CC1C1CCOCC1 |
CC(F)(F)CNC(=O)NCC1CCC(c2ccccc2)O1 |
CSCCC(NC(=O)Nc1csc(=O)[nH]1)C(=O)N(C)C |
O=C(Cc1ccc(CO)cc1)Nc1cncc(C2CC2)c1 |
C=C(Br)CCC(=O)NC(C)c1cnnn1C |
NC1CC(C(F)C(=O)N(CC2CCOCC2)C2CNC2)C1 |
FC1(CN2CCc3cccc(Cl)c3C2)COCCOC1 |
CC1(C)CC(O)CCN1C(=O)C(F)(F)C1CCC(=O)C1 |
COC(C)c1noc(CC2CCc3ncc(Br)n3C2)n1 |
COCC1CCC(C(=O)N2CCCCC23CCCOC3)C1 |
CCC(CC)C(CO)CNC(=O)C(O)(C1CC1)C(F)(F)F |
Cc1cccc(C(=O)NC2CCCNC2(C)C)c1Cl |
CSC1CCC(NC(=O)NC2CCC(CO)CC2)C1 |
c1nnc(C2CCN(CC3COCC4(CCC4)O3)CC2)o1 |
CCc1cccc(C(=O)NCC2(C)CNC(C)(C)C2)c1F |
Cc1nscc1N(C)C(=O)c1ccn2c1CNCC2 |
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