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molecule_smiles
stringlengths 1
3.53k
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COCC(C)(Nc1ccc(C)cc1F)C(=O)O |
CCCC(CC)NC1(C(=O)O)CCSC1 |
N#Cc1ccccc1Nc1cnnc(Cl)n1 |
CCCCOCCOc1cnnc(Cl)n1 |
CCOCC(C)NC(C)(CC(C)C)C(=O)O |
CCC(C)C(C)NC(C)(CCOC)C(=O)O |
O=C(O)c1ccc(OCCc2ccccc2)o1 |
Clc1nncc(-n2cnc3ccccc32)n1 |
CCCC(C)(NC(CC)(CC)CO)C(=O)O |
CCCC(C)N(C)C(C)(CCOC)C(=O)O |
CC=CCOC1(C(=O)O)Cc2ccccc2C1 |
CCC(CC)(CO)NC(CC)(CC)C(=O)O |
COCCC(C)(NCC(=O)N(C)C)C(=O)O |
COCCC(C)(NCCNC(C)=O)C(=O)O |
Clc1nncc(-n2ncc3ccccc32)n1 |
CCC(CC)N(C)C(C)(CCOC)C(=O)O |
N#Cc1ccc(Nc2cnnc(Cl)n2)cc1 |
CC=CCOC1(C(=O)O)CCc2ccccc21 |
CN(CC(C)(C)C)C1(C(=O)O)CCSC1 |
CCNC(=O)CNC(C)(CCOC)C(=O)O |
COCCC(C)(NC(C)(C)C(N)=O)C(=O)O |
COCCC(C)(OCC1CCCO1)C(=O)O |
CNC(=O)C(C)NC(C)(CCOC)C(=O)O |
CCCNC(=O)CNC(C)(COC)C(=O)O |
Cc1nc(N)c(NCCCS(C)(=O)=O)[nH]1 |
Clc1nncc(Sc2nncs2)n1 |
COCCC(C)(OC1CCOCC1)C(=O)O |
COCCC(C)(NCCCC(N)=O)C(=O)O |
CCCC(CC)NC(C)(CCOC)C(=O)O |
CCC(C)(Nc1cc(C#N)ccc1C)C(=O)O |
CCNCCCNC(C)(CCOC)C(=O)O |
COCCC(C)(OCC1CCOC1)C(=O)O |
COC(C)(C)CC(C)(NCCCN)C(=O)O |
N#Cc1cccc(Nc2cnnc(Cl)n2)c1 |
COCCC(C)(NCCCN(C)C)C(=O)O |
CCCNC(C)Cn1c(O)cc2ccccc21 |
COCCC(C)(OC(C)CC(C)C)C(=O)O |
CCNC(C)CCn1c(O)cc2ccccc21 |
COCC(C)(NCC(=O)NC(C)C)C(=O)O |
CNC(=O)CCNC1(C(=O)O)CCSC1 |
CCNC(CC)Cn1c(O)cc2ccccc21 |
COCCC(C)(NCC(C)N(C)C)C(=O)O |
CCC(C)Cn1c(O)c(N)c2cccc(C)c21 |
CNC(=O)CCNC(C)(CCOC)C(=O)O |
CCCC(Cn1c(O)cc2ccccc21)NC |
CCCCCCOC(C)(CCOC)C(=O)O |
CCCC(CC)Nc1c(O)[nH]c2ccccc12 |
CCNC(C)(C#N)COCCc1ccccc1 |
CCCNC(C#N)COCCc1ccccc1 |
CCC(C)Cn1c(O)c(NC)c2ccccc21 |
CC1Cc2ccccc2N1C(C)(CN)C(C)C |
N#Cc1ccc(Oc2cnnc(Cl)n2)cc1 |
COCCC(C)(OCCCC(C)C)C(=O)O |
CCC(C)Cn1c(O)c(N)c2cc(C)ccc21 |
CC(N)(C#N)CCCOCCc1ccccc1 |
CC(CNC1(C(=O)O)CCSC1)N(C)C |
Clc1nncc(N2CCc3ccccc32)n1 |
CC(C)NC(C#N)COCCc1ccccc1 |
CCCNc1nc(C)c(-c2ccccc2)s1 |
[O-][S+]1CCN(c2cnnc(Cl)n2)CC1 |
COCCC(C)(C(=O)O)n1cc(Cl)cn1 |
CCCCC(C)Nc1c(O)[nH]c2ccccc12 |
COCCOCCNc1cnnc(Cl)n1 |
Nc1[nH]ncc1Sc1ncnc2[nH]cnc12 |
CCCC(C)Cn1c(O)c(N)c2ccccc21 |
CNC(C)(C#N)CCOCCc1ccccc1 |
COCCC(C)(NCCC(=O)OC)C(=O)O |
CCOC(=O)CNC(C)(CCOC)C(=O)O |
C#Cc1cccc(NC(C)(COC)C(=O)O)c1 |
COc1ccc(C(C)S(N)(=O)=O)c(F)c1 |
c1ccc2sc(CCNC3CCC3)nc2c1 |
COCC(O)CN(C)c1cnnc(Cl)n1 |
COCC(C)(NCC1COCCO1)C(=O)O |
COc1ccc(C(C)S(N)(=O)=O)cc1F |
CNC(=O)CCNc1c(O)[nH]c2ccccc12 |
CCN(CCOC)C(C)(CCOC)C(=O)O |
Cc1nc(N)c(NCCCS(N)(=O)=O)[nH]1 |
CCOCCCNC(C)(CCOC)C(=O)O |
N#Cc1ccccc1Oc1cnnc(Cl)n1 |
COCCCCNC(C)(CCOC)C(=O)O |
Cn1cc(CS(N)(=O)=O)c(=O)n(C)c1=O |
Clc1nncc(N2Cc3ccccc3C2)n1 |
O=C(O)C1(NCCOCCO)CCOCC1 |
COCCC(C)(NC(C)C(=O)OC)C(=O)O |
COCCC(C)(C(=O)O)N1CCSC1=O |
CCC(C)(NC1CC1c1ccccc1)C(=O)O |
CC(C)CC(C)(NCCOCCO)C(=O)O |
COCCC(C)(C(=O)O)N(C)C(C)COC |
CC(C)(C)C(O)Cn1c(O)cc2ccccc21 |
Clc1nncc(-n2nnc3ccccc32)n1 |
CC(NC1CC1(C)C)(C(=O)O)c1ccccc1 |
CCNCCC(C)OCC=Cc1ccccc1 |
COCCCCNC1(C(=O)O)CCSC1 |
CCCCOCCNC(C)(COC)C(=O)O |
COCCC(C)(C(=O)O)N1CCSCC1 |
COCC(C)(NC(CO)CC(C)C)C(=O)O |
Cc1ccc(OC(C)CCNC2CC2)c(C)c1 |
CCCC(C)(C(=O)O)N1Cc2ccccc2C1 |
N#Cc1cccc(Oc2cnnc(Cl)n2)c1 |
Cc1cc(C)cc(OC(C)CCNC2CC2)c1 |