56 SMILES Strings for Toxin ParE

Compound Name
SMILES String
Cc1[nH]c(C(=O)NC2CCN(CC2)c2ncc(s2)C(O)=O)c(Cl)c1Cl
Cc1c(c(c([nH]1)C(=O)N[C@@H]2CCN(C[C@@H]2F)c3ncc(s3)C(=O)O)Cl)Cl
CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1ncc(s1)C(O)=O |r|
Cc1[nH]c(C(=O)N[C@@H]2CCN(C[C@@H]2O)c2ncc(s2)C(O)=O)c(Cl)c1Cl |r|
CCO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1ncc(s1)C(O)=O |r|
Cc1[nH]c(C(=O)N[C@@H]2CCN(C[C@@H]2OCC=C)c2ncc(s2)C(O)=O)c(Cl)c1Cl |r|
Cc1[nH]c(C(=O)N[C@@H]2CCN(C[C@@H]2OCC#C)c2ncc(s2)C(O)=O)c(Cl)c1Cl |r|
COCCO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1ncc(s1)C(O)=O |r|
C[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1ncc(s1)C(O)=O |r|
Cc1[nH]c(C(=O)N[C@@H]2CCN(C[C@@H]2Cl)c2ncc(s2)C(O)=O)c(Cl)c1Cl |r|
CS[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1ncc(s1)C(O)=O |r|
Cc1[nH]c(C(=O)N[C@@H]2CCN(C[C@@H]2S(C)(=O)=O)c2ncc(s2)C(O)=O)c(Cl)c1Cl |r|
Cc1[nH]c(C(=O)N[C@@H]2CCN(C[C@@H]2N=[N+]=[N-])c2ncc(s2)C(O)=O)c(Cl)c1Cl |r|
COC1(CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1ncc(s1)C(O)=O)OC |r,@@:2|
Cc1[nH]c(C(=O)N[C@@H]2CCN(C[C@]22OCCO2)c2ncc(s2)C(O)=O)c(Cl)c1Cl |r|
Cc1[nH]c(C(=O)N[C@@H]2CCN(C[C@]22OCCCO2)c2ncc(s2)C(O)=O)c(Cl)c1Cl |r|
COC1COC2(CN(CC[C@H]2NC(=O)c2[nH]c(C)c(Cl)c2Cl)c2ncc(s2)C(O)=O)OC1 |r,wD:10.11,(17.01,-23.51,;18.55,-23.45,;19.26,-22.09,;18.44,-20.78,;19.15,-19.42,;20.69,-19.36,;22.23,-19.29,;22.95,-17.93,;22.11,-16.63,;20.57,-16.7,;19.87,-18.07,;18.33,-18.14,;17.5,-16.84,;18.21,-15.47,;15.97,-16.91,;15.12,-18.19,;13.64,-17.78,;12.44,-18.74,;13.57,-16.24,;12.28,-15.39,;15.01,-15.7,;15.42,-14.22,;24.49,-17.86,;25.44,-19.06,;26.89,-18.51,;26.82,-16.98,;25.33,-16.57,;28.02,-16.01,;29.45,-16.58,;27.79,-14.49,;21.52,-20.65,;20.8,-22.02,)|
CO[C@H]1CO[C@]2(CN(CC[C@H]2NC(=O)c2[nH]c(C)c(Cl)c2Cl)c2ncc(s2)C(O)=O)OC1 |r,wD:5.4,10.11,2.1,(17.01,-23.51,;18.55,-23.45,;19.26,-22.09,;20.8,-22.02,;21.52,-20.65,;20.69,-19.36,;22.23,-19.29,;22.95,-17.93,;22.11,-16.63,;20.57,-16.7,;19.87,-18.07,;18.33,-18.14,;17.5,-16.84,;18.21,-15.47,;15.97,-16.91,;15.12,-18.19,;13.64,-17.78,;12.44,-18.74,;13.57,-16.24,;12.28,-15.39,;15.01,-15.7,;15.42,-14.22,;24.49,-17.86,;25.44,-19.06,;26.89,-18.51,;26.82,-16.98,;25.33,-16.57,;28.02,-16.01,;29.45,-16.58,;27.79,-14.49,;19.15,-19.42,;18.44,-20.78,)|
Cc1[nH]c(C(=O)N[C@@H]2CCN(C[C@]22OCC(C)(C)CO2)c2ncc(s2)C(O)=O)c(Cl)c1Cl |r|
Cc1[nH]c(C(=O)N[C@@H]2CCN(C[C@]22OCC3(CC3)CO2)c2ncc(s2)C(O)=O)c(Cl)c1Cl |r|
Cc1[nH]c(C(=O)N[C@@H]2CCN(C[C@]22OCC(=C)CO2)c2ncc(s2)C(O)=O)c(Cl)c1Cl |r|
CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc(C)c(s1)C(O)=O |r|
CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc2cccc(C(O)=O)c2s1 |r|
CNC(=O)c1nc(sc1C(O)=O)N1CC[C@@H](NC(=O)c2[nH]c(C)c(Cl)c2Cl)[C@H](C1)OC |r|
CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc(C(=O)N(C)C)c(s1)C(O)=O |r|
COCc1nc(sc1C(O)=O)N1CC[C@@H](NC(=O)c2[nH]c(C)c(Cl)c2Cl)[C@H](C1)OC |r|
CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc(C(O)=O)c(C)s1 |r|
CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc(C(N)=O)c(s1)C(O)=O |r|
COCCNC(=O)c1nc(sc1C(O)=O)N1CC[C@@H](NC(=O)c2[nH]c(C)c(Cl)c2Cl)[C@H](C1)OC |r|
COC[C@H](C)NC(=O)c1nc(sc1C(O)=O)N1CC[C@@H](NC(=O)c2[nH]c(C)c(Cl)c2Cl)[C@H](C1)OC |r|
CO[C@@H](C)CNC(=O)c1nc(sc1C(O)=O)N1CC[C@@H](NC(=O)c2[nH]c(C)c(Cl)c2Cl)[C@H](C1)OC |r|
COCC(COC)NC(=O)c1nc(sc1C(O)=O)N1CC[C@@H](NC(=O)c2[nH]c(C)c(Cl)c2Cl)[C@H](C1)OC |r|
COCC(COC)(COC)NC(=O)c1nc(sc1C(O)=O)N1CC[C@@H](NC(=O)c2[nH]c(C)c(Cl)c2Cl)[C@H](C1)OC |r|
CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc(C(=O)NCC2OCCO2)c(s1)C(O)=O |r|
CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc(C(=O)NC2COC(C)(C)OC2)c(s1)C(O)=O |r|
CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc(C(=O)NCC2(C)OCCO2)c(s1)C(O)=O |r|
CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc(C(=O)NCCN2CCCC2=O)c(s1)C(O)=O |r|
CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc(C(=O)NCCN2CCOCC2)c(s1)C(O)=O |r|
CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc(C(=O)NN2CCOCC2)c(s1)C(O)=O |r|
CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc(c(s1)C(O)=O)-c1cnccn1 |r|
CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc(c(s1)C(O)=O)-c1ncnn1C |r|
CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc(c(s1)C(O)=O)-c1ncccn1 |r|
CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc(c(s1)C(O)=O)-c1ccncn1 |r|
CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc(c(s1)C(O)=O)-c1cncnc1 |r|
CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc(c(s1)C(O)=O)-c1nc(OC)cc(OC)n1 |r|
COCn1ccnc1-c1nc(sc1C(O)=O)N1CC[C@@H](NC(=O)c2[nH]c(C)c(Cl)c2Cl)[C@H](C1)OC |r|
CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc(c(s1)C(O)=O)-c1nccc(OC)n1 |r|
CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc(c(s1)C(O)=O)-c1nccn1C |r|
CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc(-c2cn(C)cn2)c(s1)C(O)=O |r|
CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc(-c2ccn[nH]2)c(s1)C(O)=O |r|
CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc(-c2ncc[nH]2)c(s1)C(O)=O |r|
CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc(-c2nc(C)no2)c(s1)C(O)=O |r|
CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc(c(s1)C(O)=O)-c1cncc(NCCN2CCN(C)CC2)n1 |r|
CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc(c(s1)C(O)=O)-c1ccccn1 |r|
CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc(-c2nccs2)c(s1)C(O)=O |r|
CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc(-c2csc(N)n2)c(s1)C(O)=O |r|