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molecule_smiles
stringlengths 1
3.53k
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CCCCOCCC(NCC)c1cccs1 |
COCC(C)(NC1CCN(C2CC2)C1)C(=O)O |
CCCN(CC(F)(F)F)C(C)(CN)COC |
NCC(OCCc1ccccc1)c1ccccn1 |
Nc1c(O)n(CCCO)c2c(F)cc(F)cc12 |
CNCc1cccc(OCCc2ccccc2)n1 |
COCC(C)(NC1CCN2CCCC12)C(=O)O |
CC(C)C1CCC(NCC(N)=O)(C(=O)O)CC1 |
NCC(OCCc1ccccc1)c1cccnc1 |
CNCc1cccnc1OCCc1ccccc1 |
COCC(C)(Sc1ccc(O)cc1)C(=O)O |
CNCc1ccc(OCCc2ccccc2)nc1 |
CNC(CCOC(C)C)c1cccc(Cl)c1 |
CNC(CCOc1ccccc1)c1ccccn1 |
CNCc1cc(OCCc2ccccc2)ccn1 |
CCOc1ccc(C)cc1C(N)c1cccnc1 |
Cc1ccc(OC(CCN)c2ccccc2)cn1 |
CCOC(=O)C(C)COCCc1cccs1 |
CC(C)CC(C)(OCC1CCCCC1)C(=O)O |
CS(=O)(=O)CC(=O)CCOc1ccccc1 |
CNCc1ccnc(OCCc2ccccc2)c1 |
Cc1nc(N)c(NC2CCc3ccccc3C2)[nH]1 |
CC(C)OCCC(=O)c1cccc2ccccc12 |
CCCCOC1(C(=O)O)CCC(C(C)C)CC1 |
NCC(OCCc1ccccc1)c1ccncc1 |
CN(C)C(C)(C)CNC1(C(=O)O)CCCCC1 |
CCC(CC)(C(=O)O)N(C)C1CCCN(C)C1 |
CCCOCC(=O)CCCOCC(F)(F)F |
CCN(C)CCNC1(C(=O)O)CCC(C)CC1 |
CCN(C)CCNC1(C(=O)O)CCCCCC1 |
CCCC(C)(Sc1cc(C)nn1C)C(=O)O |
CCOC(=O)CC(C)OCCc1cccs1 |
COCC(C)(Sc1ncc(C)cn1)C(=O)O |
CCN(C)CCNC1(C(=O)O)CCCCC1C |
CCC(CC)(Sc1cc(C)nn1C)C(=O)O |
CC(C)C1CCC(OC(C)(C)C)(C(=O)O)CC1 |
CC(C)N(C)CCNC1(C(=O)O)CCCCC1 |
CCOc1ccc(C)cc1C(N)c1ccncc1 |
CC1CCCC(SC(C)(C(=O)O)C2CC2)C1 |
CCNCCC(C)OCCc1scnc1C |
CCNCC(C)COCCc1scnc1C |
CC(C)C1CCC(NCCCN)(C(=O)O)CC1 |
CC(C)CCOCCC(O)Cc1cccs1 |
CCC(C)OC1(C(=O)O)CCC(C(C)C)CC1 |
CC(C)COC1(C(=O)O)CCC(C(C)C)CC1 |
CCN(C)CCNC1(C(=O)O)CCCC(C)C1 |
CNC(CCOc1ccccc1)c1ccncc1 |
CC(C)CNCC(C)COC1CCN(C)CC1 |
CC(C)CCOCCC(O)C1CCC(C)CC1 |
CCOC(=O)CC(C)Oc1ccc(Cl)cc1 |
CC(CNC(C)(C)C)COC1CCN(C)CC1 |
CC(CC(=O)O)Oc1ccc(C=O)cc1Cl |
CCOC(=O)C(C)COc1ccccc1Cl |
CCCCOCCC1(O)CCC(C(C)C)CC1 |
CCOC(=O)C(C)COc1cccc(Cl)c1 |
CCC(C)N1CCN(C(C)(CC)C(=O)O)CC1 |
CC(C)CC(C)(NCCN1CCCC1)C(=O)O |
COCC(C)(NC(C)c1nncn1C)C(=O)O |
CCOC(=O)CC(C)Oc1cccc(Cl)c1 |
COC(=O)C(C)COc1ccc(C)cc1Cl |
CC(COc1ccc(C=O)cc1Cl)C(=O)O |
CCCCOCCC(O)c1ccc(Cl)cc1 |
CC(C)OCCC(O)Cc1ccccc1Cl |
CCC(C)(C(=O)O)N1CCN(CC(C)C)CC1 |
CC(CCNC(C)(C)C)OC1CCN(C)CC1 |
O=CCCCOc1ccc(Br)cc1 |
CC(C)OCCC(O)Cc1cccc(Cl)c1 |
COC(=O)CC(C)Oc1ccc(C)cc1Cl |
CCC(C)(Oc1ccc(C)cc1Cl)C(=O)O |
CC(C)OCCC(O)Cc1ccc(Cl)cc1 |
CC(C)CNCCC(C)OC1CCN(C)CC1 |
CC(COc1ccc([N+](=O)[O-])c(F)c1)C(=O)O |
CC(COc1ccc(F)cc1[N+](=O)[O-])C(=O)O |
CCCCOCCC(O)c1cccc(Cl)c1 |
Cc1ccc(OCC(C)C(N)=NO)c(Cl)c1 |
COCCC(C)(N)CCCOCC(F)(F)F |
CCCC(C)(C(=O)O)N(C)C1CCCN(C)C1 |
CCNC(CCOC)CCOCC(F)(F)F |
CCCOCC(N)CCCOCC(F)(F)F |
CC(CCNC1CC1)OCC(F)(F)C(F)F |
COCC(C)(C(=O)O)N1C(=O)CCCCC1=O |
CC(C)OCCC(N)Cc1cc(F)cc(F)c1 |
CC1CCCC(SC2(C(=O)O)CCCC2)C1 |
COCC(C)(C(=O)O)N1CCOC2CCCC21 |
CCCCOCCC(N)c1cc(F)cc(F)c1 |
CNC(CCOC(C)C)c1ccc(F)c(F)c1 |
Cc1ccc(OC(C)CC(N)=NO)c(Cl)c1 |
CCCCOCCC(O)c1ccccc1Cl |
CC(N)(Cc1cccc(C(F)(F)F)c1)C1CC1 |
CC(C)NCCC(C)Oc1cc(F)cc(F)c1 |
CCCNCCC(C)Oc1cc(F)cc(F)c1 |
Cc1cccnc1C(O)CCOc1ccccc1 |
Cc1ccc2c(NCC(C)C#N)c(O)[nH]c2c1C |
CNCc1ccc(OCCc2ccccc2)nn1 |
CCOc1ccc(C)cc1C(O)c1ccncc1 |
CC(CC(=O)O)Oc1ccc([N+](=O)[O-])c(F)c1 |
COCCC(=O)c1ccccc1Br |
C#CCNC(C(=O)OC)(c1ccccc1)C1CC1 |
Cc1ccc(C)c2c(NCC(C)C#N)c(O)[nH]c12 |
CNC(CCCOCC(F)(F)F)CCOC |