smiles
stringlengths 5
260
|
|---|
CCOC(=O)CSCC(=O)C(C)(C)C |
Cc1cc(cc(c1S(=O)(=O)N)C)Cl |
CC(=O)NCc1ccccc1NC(=O)C |
COc1cc(cc(c1OC)OC)NC(=O)N |
CCOC(=O)[C@@H](c1cccc(c1)OC)O |
COc1cccc(c1C(=O)OC)C(=O)OC |
CNC(=S)N=NCc1ccccc1C(=O)[O-] |
CNC(=S)N=NCc1ccccc1C(=O)[O-] |
CCCCNc1ccc(cc1)S(=O)(=O)N |
c1ccc2c(c1)ccc(n2)C[NH+]=C(N)N |
c1ccc2c(c1)ccc(n2)C[NH+]=C(N)N |
CN(C)C(=O)CNc1ccccc1OC |
CC[NH+](CC)CCNC(=O)c1ccco1 |
CCC(C)(C)NC(=O)C[NH+](CC)CC |
CCCOc1ccc(cc1)NCC(=O)N(C)C |
Cc1cccc(c1NCC(=O)N(C)C)C |
Cc1cccc(c1)/C=C/C(=O)NCCO |
CCC(=O)OC1CC[NH+](CC1)CCOC |
CC[C@@H](C(=O)[O-])Nc1nc(cc(n1)C)C |
CC[C@H](C(=O)[O-])Nc1nc(cc(n1)C)C |
CCC(=O)OCC(=O)NCc1ccccc1 |
CCCC(=O)OCC(=O)NCc1ccccc1 |
Cn1c(nnc1SCc2ccccc2)N |
CCc1ccc(cc1)NC(=O)C[NH2+]CCOC |
Cc1ccc(cc1)NC(=O)CSCC(=O)N |
c1c(c(c(=O)[nH]n1)Cl)NC2CCCC2 |
Cn1cnc2c(c1=O)c3c(s2)CCC3 |
CC(C)Oc1ccccc1C(=O)NCCC[NH3+] |
CCOc1ccccc1C(=O)NCCC[NH3+] |
CC(C)Oc1ccccc1C(=O)NCC[NH3+] |
c1ccc(c(c1)C(=O)OCC[C@H]2CCCC[NH2+]2)N |
Cc1cccc(c1OCCC[NH+]=C(N)N)C |
Cc1cccc(c1OCCC[NH+]=C(N)N)C |
CC(C)OC(=O)[C@@H]1CC[C@H]1C(=O)OC(C)C |
CCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC |
c1ccc(cc1)C(=O)NCC(=O)N2CCCC2 |
CNC(=O)c1cc(c(c(c1)Cl)N)Cl |
C[C@@H](CC(=O)NCC[NH+](C)C)c1ccccc1 |
C[C@H](CC(=O)NCC[NH+](C)C)c1ccccc1 |
C[NH+](C)CCNC(=O)CCCc1ccccc1 |
Cc1c(n(c(=O)[nH]1)c2ccc(cc2)Cl)[O-] |
Cc1c(n(c(=O)[nH]1)c2ccc(cc2)Cl)[O-] |
Cc1cc(ccc1OCC(=O)NOC)Cl |
CC[NH+](CC)CCNC(=O)Cc1ccccc1 |
Cc1cccc(c1OCC[NH+]=C(N)N)C |
Cc1cccc(c1OCC[NH+]=C(N)N)C |
c1ccc(c(c1)OCC[NH+]=C(N)N)Cl |
c1ccc(c(c1)OCC[NH+]=C(N)N)Cl |
c1cc(ccc1C[NH+]=C(N)N)Br |
c1cc(ccc1C[NH+]=C(N)N)Br |
CN(CCO)C(=O)/C=C/c1cccc(c1)Cl |
c1cc(ccc1/C=C/C(=O)NCCCO)Cl |
CCN(CC)C(=O)CN(C)c1ccccc1 |
CCOC(=O)c1ccccc1C(=O)OC |
c1ccc2c(c1)c(cc[nH+]2)NCC(=O)[O-] |
c1ccc(cc1)Sc2nc(nc(n2)N)N |
c1cc(ccc1Oc2nc(nc(n2)N)N)Cl |
CCN(C(=O)COc1ccccc1)OCC |
CCCCn1c(=O)c2ccccc2c(=O)[nH]1 |
CC[NH+](CC)CC(=O)Nc1cc(no1)C |
CC[NH+](CC)CC(=O)Nc1cc(ns1)C |
CN(C)C(=O)CNc1ccc(cc1)Cl |
C[C@H]1CCCC[NH+]1CCC[NH2+][C@@H](C)CC(=O)[O-] |
C[C@H]1CCCC[NH+]1CCC[NH2+][C@@H](C)C(=O)[O-] |
CCCOC(=O)[C@H]1COc2ccccc2O1 |
CCCOC(=O)[C@@H]1COc2ccccc2O1 |
CC(C)[NH2+]C[C@@H](CCc1ccccc1)O |
CC(C)[NH2+]C[C@H](CCc1ccccc1)O |
Cc1cccc(c1NC(=O)C[NH2+]CCOC)C |
C/C=C/C(=O)Nc1cccc(c1)OC(=O)NC |
CCC(=O)Nc1cccc(c1)OC(=O)NC |
CC(=O)Nc1ccc(cc1)OC(=O)OC |
c1cc(ccc1C[NH+]=C(N)N)C(F)(F)F |
c1cc(ccc1C[NH+]=C(N)N)C(F)(F)F |
CN(C)C(=O)CCCCCCCC(=O)N(C)C |
C[NH+](CCC(=O)c1ccccc1)CC(=O)[O-] |
Cc1cc(c2ccccc2n1)C(=O)NCCO |
CCOC(=O)[C@@H](CC(C)C)NC(=O)C |
CCC(=O)N[C@@H](CC(=O)[O-])c1cccs1 |
CCC(=O)N[C@H](Cc1ccc(cc1)F)C(=O)[O-] |
c1cc(ccc1C(=O)N[C@H]2CCOC2=O)Cl |
Cc1ccccc1/C=C/C(=O)NCCO |
C/C(=C/C(=O)NCCO)/c1ccccc1 |
CN(CCO)C(=O)/C=C/c1ccc(cc1)Cl |
C[C@@H](CNC(=O)/C=C/c1ccc(cc1)Cl)O |
C[C@H](CNC(=O)/C=C/c1ccc(cc1)Cl)O |
C[C@@H](CO)NC(=O)/C=C/c1ccccc1 |
C[C@H](CO)NC(=O)/C=C/c1ccccc1 |
C[C@@H](CNC(=O)/C=C/c1ccccc1)O |
C[C@H](CNC(=O)/C=C/c1ccccc1)O |
CC(C)(CO)NC(=O)/C=C/c1ccccc1 |
c1cc(ccc1/C=C/C(=O)NCCO)Cl |
CC(=O)N[C@H](CCO)c1ccc(cc1)OC |
Cc1cccc(c1NC(=O)C[NH2+]C[C@@H](C)O)C |
Cc1cccc(c1NC(=O)C[NH2+]C[C@H](C)O)C |
C[C@@H](c1ccccc1)[NH+](CCO)CCO |
COc1ccc(cc1)CC(=O)OCCF |
CC(=CN=NC(=[NH2+])N)Cc1ccccc1 |
CC(=CN=NC(=[NH2+])N)Cc1ccccc1 |
CC(=CN=NC(=[NH2+])N)Cc1ccccc1 |