smiles
stringlengths 5
260
|
|---|
c1ccc(cc1)[C@@H](C(=O)OC[C@@H]2CCCO2)O |
c1ccc(cc1)[C@H](C(=O)OC[C@@H]2CCCO2)O |
COCCC(=O)OCCOc1ccccc1 |
CCOCCC(=O)OCCCCCO |
C[C@@H](COC)OC(=O)C1(CCCCC1)O |
CCOCCOC(=O)[C@@H](c1ccccc1)O |
CC(C)OC(=O)c1ccc(c(c1)OC)O |
CCOc1ccccc1C(=O)OCCOC |
CCOCCOC(=O)/C=C/c1ccco1 |
CCCCCCn1cnc2c1ncnc2N |
CCN(CC)C(=O)c1ccccc1C(=O)OC |
CCCOC(=O)C1(CC1)C(=O)OCCC |
CC(=O)Oc1c(cccc1OC)C(=O)OC |
c1ccc(cc1)OCCC(=O)N2CCOCC2 |
c1ccc2c(c1)c(ccn2)C(=O)N3CCOCC3 |
c1[nH]c2c(n1)ncnc2NCCCCCCO |
C1CCC=C(CC1)C(=O)N2CCOCC2 |
c1cc(cc(c1)NCc2ccco2)C(=O)N |
CCCCS(=O)(=O)N1CCCCC1 |
C/C=C/COC(=O)CNC(=O)OC(C)(C)C |
CC(C)(CO)NC(=O)CC1CCCCC1 |
CCN(CC)S(=O)(=O)c1cccnc1 |
COc1ccc(cc1)CCn2cncn2 |
CC(C)(CO)NC(=O)/C=C/c1ccc(cc1)OC |
c1ccc2cc(ccc2c1)C[NH2+]CCO |
CCNc1c2cnn(c2nc(n1)Cl)C |
C[NH+](CCC(=O)[O-])Cc1cccc(c1)OC |
CCN(CC)C(=O)c1ccccc1C(=O)[O-] |
CCCCN(C)c1c2cnn(c2ncn1)C |
c1c(nc(nc1Cl)N)NC2(CCC2)CO |
c1c(nc(nc1Cl)N)NCC2(CCC2)O |
c1c(nc(nc1Cl)N)NCC2(CCCC2)O |
c1c(nc(nc1Cl)N)NCC2(CCC2)CO |
CCCCC[NH+]1CCN(CC1)c2ncccn2 |
CCOC(CSc1ncccn1)OCC |
CCN(CC)C(=O)N[C@@H](CC(C)C)C(=O)NC |
c1ccc(cc1)C[C@@H](C(=O)[O-])[NH2+]CC(F)(F)F |
Cc1ccc(cc1)N2CC[NH+](CC2)CCCO |
Cc1cccc(c1)N2CC[NH+](CC2)CCCO |
CCCCNc1c(c(nc(n1)N)Cl)N |
CC[NH+](CCO)C[C@@H](c1ccccc1)O |
CCNC(=O)C(=NC(=O)C)Cc1ccccc1 |
c1ccc2c(c1)cc(o2)C(=O)NCCO |
CC(=O)c1cccc(c1)OCC(=O)OC |
c1cc(c(cc1Br)O)C(=O)N |
Cc1ccccc1N2CC[NH+](CC2)CCCO |
CCCONC(=O)c1ccc(cc1)OC |
CC[NH+](CC)Cc1nnnn1Cc2ccccc2 |
c1ccc(c(c1)CNC(=O)C(=O)[O-])Cl |
c1cc(c(cc1Cl)Cl)CNC(=O)C(=O)[O-] |
CCN(CC)C(=S)SCC(=O)N(C)C |
CN(C)C(=O)c1ccc(cc1)C(=O)N(C)C |
CC(C)N(C(C)C)C(=O)CCCC(=O)[O-] |
CCCCOCCOC(=O)C1(CCCC1)O |
CCOC(=O)CCC(=O)N(C(C)C)C(C)C |
CC(C)N(C(C)C)C(=O)CCC(=O)OC |
c1ccc(cc1)C2(CCN(CC2)C(=O)C3CC3)O |
CCCCCn1cnc2c1ncnc2N |
CCC(=O)Oc1cccc(c1)OC(=O)C |
CC(C)C(=O)OCCCOC(=O)C(C)C |
CCCCNC(=O)CCC(=O)OCC |
CCCN(CCC)C(=O)CCC(=O)OCC |
CCCCOC(=O)CCC(=O)N(CC)CC |
COCCOC(=O)c1ccccc1C(=O)OC |
CC(C)(C(=O)OCCCc1ccccc1)O |
CC[NH+](CC)CC(=O)N(C)c1ccccc1 |
Cc1ccc(cc1)NC(=O)NCC(=O)[O-] |
CC(=O)NCC1CCC(CC1)CNC(=O)C |
c1ccc2cc(ccc2c1)C[NH+](CCO)CCO |
C(C(F)(F)F)NC(=O)NCC(F)(F)F |
C1CSCCC1NC(=O)NCCF |
CCOCCOC(=O)c1ccc(cc1)C#N |
CC(=O)N(CCO)Cc1ccc(cc1)OC |
Cc1ccc(cc1)S(=O)(=O)NC(C)(C)C[NH3+] |
CCCCN1C[C@@H](Cc2c1cccc2)C(=O)N |
c1ccc(cc1)S(=O)(=O)N2CCC=CC2 |
Cc1nc(c2cnn(c2n1)C)NCCC[NH+](C)C |
C[C@H](c1ccccc1)[NH+](CCO)CCO |
CN(CC(=O)[O-])C(=O)c1cc2ccccc2[nH]1 |
CN(CC(=O)OC)C(=O)c1cc2ccccc2[nH]1 |
COc1ccc(cc1)C(=O)NC2CCC2 |
C[NH+](C)CCSc1c2c(nc[nH]2)ncn1 |
CCOCCC(=O)NCc1ccccc1 |
CN(CCO)C(=O)/C=C/c1ccccc1 |
CC(=O)c1ccccc1NC(=O)CCC(=O)OC |
c1ccc(cc1)C(=O)NCc2cnccn2 |
CCOC(=O)CNc1ccc(c(c1)F)F |
CCN(CC)C(=S)S[C@@H](C)C(=O)OC |
CC(=O)OCCOc1ccc(cc1)OC |
CCCC[C@H](C(=O)[O-])NC(=O)C(F)(F)F |
Cc1ccccc1NC(=O)NCC(=O)[O-] |
CC[NH+](CC)CCOC(=O)c1ccccc1O |
c1c(cnc(n1)NCCCO)Br |
CCCCC[C@@H](C(=O)[O-])NC(=O)CCl |
COCCNC(=O)CC1(CCCC1)CC(=O)[O-] |
COCCCNc1ccc(cc1)S(=O)(=O)C |
CC(=O)N[C@@H](CCO)c1ccc(cc1)OC |
CC(C)(C)CC(=O)OCCC[NH+](C)C |
CNC(=O)Oc1cccc(c1)NC(=O)C=C |
CNC(=O)Oc1cccc(c1)NC(=O)C2CC2 |