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DrugGEN_DockingScores.csv
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DrugGEN_DockingScores.csv
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DrugGEN_MOL_ID,SMILES,DOCKING_SCORE
MOL_02_034697,C[C@@H]1C[C@@H](O)c2ncnc(N3CC[NH+]([C@H]([O-])[C@H](CC[NH2+]CC4CC4)c4ccc(OC(Cl)(Cl)Cl)c(Cl)c4)CC3)c21,-10.603
MOL_02_015514,[NH3+]CC1(c2cccc(-c3ccccc3)c2)CCN(c2ncnc3c2CCN3)CC1,-10.55
MOL_02_033292,CC[NH2+][C@H](O)Nc1nc(-c2ccc(C[NH+]3CCC(n4c(=O)[nH]c5ccccc54)CC3)cc2)c(-c2ccccc2)cc1C[NH3+],-10.513
MOL_02_034107,C[C@@H]1C[C@@H](O)c2ncnc(N3CC[NH+]([C@H]([O-])[C@H](C[NH2+]CC4CC4)c4ccc(OC(Cl)(Cl)Cl)c(Cl)c4)CC3)c21,-10.385
MOL_02_009815,C[C@@H]1C[C@@H](O)c2ncnc(N3CC[NH+]([C@H]([O-])[C@H](C[NH2+]CC4CC4)c4ccc(C(Cl)(Cl)Cl)c(Cl)c4)CC3)c21,-10.278
MOL_02_018026,C[C@@H]1C[C@@H](O)c2ncnc(N3CC[NH+]([C@H]([O-])[C@H](C[NH2+]CC4CC4)c4ccc(C(Cl)(Cl)Cl)cc4)CC3)c21,-10.22
MOL_02_013706,C[C@@H]1C[C@@H](O)c2ncnc(N3CC[NH+]([C@H]([O-])[C@H](CC[NH2+]C4CCOCC4)c4ccc(C(Cl)(Cl)Cl)cc4)CC3)c21,-10.188
MOL_02_009783,Cc1ccc([C@@H]2CC[NH2+]C[C@H]2N[C@H](O)c2cc(Cl)c(-c3c(Cl)cnn3C)o2)cc1,-10.174
MOL_01_030091,C[C@H]([NH3+])Cc1ccc(C[C@H](C)[NH3+])c2cc(CCCn3cnc4ncccc43)ccc12,-10.057
MOL_02_017700,C[C@@H]1C[C@@H](O)c2ncnc(N3CC[NH+]([C@H]([O-])[C@H](C[NH2+]C4CCOCC4)c4ccc(C(Cl)(Cl)Cl)cc4)CC3)c21,-10.056
MOL_02_009744,Cc1ccc([C@@H]2C[C@@H](C[C@H](O)[NH2+]CCO)[NH2+]C[C@H]2N[C@H](O)c2cc(-c3c(C)cnn3C)c(C)o2)cc1C,-10.029
MOL_02_009326,CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(Cl)c([C@H]([NH3+])[O-])c3)cn2CC[NH+]2CCC2)CC1,-10.004
MOL_02_009835,C[C@@H]1C[C@@H](O)c2ncnc(N3CC[NH+]([C@H]([O-])[C@H](C[NH2+]C(C)(C)C)c4ccc(C(Cl)(Cl)Cl)c(Cl)c4)CC3)c21,-9.952
MOL_01_031295,[NH3+]Cc1ccc(-c2ccc3n2CCN3)cc1C[NH3+],-9.941
MOL_02_009945,Cc1ccc([C@@H]2CC[NH2+]C[C@H]2N[C@H](O)c2cc(-c3c(C)cnn3C)cn2C)cc1,-9.937
MOL_02_023489,C[C@@H]1C[C@@H](O)c2ncnc(N3CC[NH+]([C@H]([O-])[C@H](C[NH3+])c4ccc(C(Cl)(Cl)Cl)cc4Cl)CC3)c21,-9.926
MOL_02_009761,Cc1ccc([C@@H]2C[C@@H](C[C@H](O)[NH2+]C[C@H](O)CO)[NH2+]C[C@H]2N[C@H](O)c2cc(-c3c(C)cnn3C)c(C)o2)cc1C,-9.921
MOL_02_000496,CN(C)c1cccc(C[NH2+]C[C@H](O)[C@H](Cc2cc(Cl)cc(Cl)c2)[NH2+][C@H]([O-])[C@@H]2C[N@@H+](Cc3ccccc3)[C@@H]([O-])[NH2+]2)c1,-9.908
MOL_02_034109,C[C@@H]1C[C@@H](O)c2ncnc(N3CC[NH+]([C@H]([O-])[C@H](CC[NH2+]C4CCOCC4)c4ccc(OC(Cl)(Cl)Cl)c(Cl)c4)CC3)c21,-9.865
MOL_01_026467,O=C1C=CC(C)=C(C1=2)c3c(C2C)cc(C[NH3+])c(c3)C[NH3+],-9.847
MOL_02_045597,COc1ccc2nccc(CC[N@H+]3C[C@H](C[NH2+]Cc4ccc5c(n4)N[C@@H](O)CC5)[C@H](O)C3)c2n1,-9.803
MOL_02_009702,O=c1cc(N2CCOCC2)nc(C[C@H](O)Nc2ccccc2OCC[NH+]2CCCCC2)[nH]1,-9.79
MOL_01_030056,N[C@@]1([NH3+])C[C@]1(c1ccc(F)cc1)[C@H]([NH3+])CCCCc1cccnc1,-9.781
MOL_01_027820,Nc1ccc(n12)[nH]c(cc2=O)CC[C@H](O)CC[C@H](O)c3ccc(F)cc3,-9.687
MOL_01_024595,Clc1ccc(cc1)[C@H](CC([NH3+])(N)N)c2ccc(cc2)-c3ccncc3,-9.684
MOL_01_030681,[NH3+]C[C@@H](c1ccc(Cl)cc1)[C@H]([NH3+])Nc1ccc2cnccc2c1,-9.677
MOL_02_015378,[NH3+]C1(Cc2ccc3ccccc3c2)CCN(c2ncnc3c2CCN3)CC1,-9.676
MOL_02_008350,CCC[C@H](O)[NH2+][C@@H]1Cn2c(c(-c3ccc(O)cc3)c3c(N)ncnc32)[C@H]1C,-9.619
MOL_01_025351,CCC(=[NH2+])N1CCc2cc(C[NH2+]CCC(=[NH2+])N[C@@H]3CCCc4ccccc43)ccc21,-9.616
MOL_01_027955,CCn1c2ccccc2c2cc([C@H](N)[C@H]([NH3+])Nc3ccc(C[NH3+])c(C[NH3+])c3)ccc21,-9.613
MOL_01_030524,NC(=[NH2+])c1cccc(-c2cccc(CC(=[NH2+])NCc3ccc4ccccc4c3)c2)c1,-9.594
MOL_01_040534,O=C1N=C(N)S[C@@H]1c2cnc(OC)c(c2)[C@H]([NH3+])NCc3ccc(C(F)(F)F)cc3,-9.594
MOL_02_035850,CC(C)[NH2+]C[C@H](Cc1cccc(C(Cl)(Cl)Cl)c1)[C@H]([O-])[NH+]1CCN(c2ncnc3c2[C@@H](C)C[C@H]3O)CC1,-9.585
MOL_02_019447,CCc1c(N)ncnc1N1CCC(c2[nH+]c(-c3ccc(Cl)c(C)c3)cn2CC[NH3+])CC1,-9.577
MOL_02_024246,Cc1ccc([C@H](O)NCC2([NH3+])CCN(c3ncnc4c3CCN4)CC2)cc1,-9.577
MOL_02_032565,CC(C)c1ccc(N[C@H](O)[NH2+][C@@H]2CCN(c3ncnc4ccccc34)C2)cc1,-9.565
MOL_02_009548,C[C@@H]1C[C@@H](O)c2ncnc(N3CC[NH+]([C@H]([O-])[C@H](C[NH3+])c4ccc(C(Cl)(Cl)Cl)cc4)CC3)c21,-9.564
MOL_02_008766,COc1cc([C@H](O)[NH2+][C@@H]2CC[C@@H](O)N(C[C@H](O)[NH2+][C@H](CCCCN[C@H](O)c3ccccc3)[C@H](O)OC)[C@H]2O)cc(OC)c1OC,-9.532
MOL_01_031718,Clc1ccccc1CC[C@@](C)(C[NH3+])N[C@H]([NH3+])c2cccc(c2)CC(F)(F)F,-9.532
MOL_02_009750,Cc1ccc([C@@H]2CC[NH2+]C[C@H]2N[C@H](O)c2cc(-c3c(Cl)cnn3C)co2)cc1,-9.513
MOL_02_009587,CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(Cl)c(C(Cl)(Cl)Cl)c3)cn2CC[NH+]2CCCC2)CC1,-9.508
MOL_01_026672,[NH3+]Cc1cccc(-c2cc(NCCc3cccnc3)nc(C[NH3+])n2)c1,-9.489
MOL_01_028275,CNc1cccc(CCc2ccc([C@@H]3[C@@H](C[NH3+])N(C(=[NH2+])C4CCCCC4)[C@H]3C[NH3+])cc2)c1,-9.468
MOL_02_009355,Cc1ccc([C@@H]2CC[NH2+]C[C@H]2N[C@H](O)c2cc(Cl)c(-c3c(C)cnn3C)o2)cc1,-9.457
MOL_02_009549,Cc1ccc([C@@H]2C[C@@H](CC[NH+]3CCC(O)CC3)[NH2+]C[C@H]2N[C@H](O)c2cc(-c3c(C)cnn3C)c(C)o2)cc1C,-9.444
MOL_01_016284,NC1=[NH+]CCN(Cc2ccccc2C(F)(F)F)[C@H]1CC(=[NH2+])NC1CCCCC1,-9.438
MOL_02_030820,CC[NH2+][C@H](NCCn1cnc2ccccc21)N1CCN(c2cnn(C)c2)[C@@H](O)C1,-9.432
MOL_02_034523,Nc1nc(-c2cccc(C[NH3+])c2)c(-c2ccncn2)n2nc(Cc3cncn4ccnc34)nc12,-9.417
MOL_02_009662,Cc1cccc([C@H](N[C@H](O)c2ccc3cnccc3c2)C2CC[NH2+]CC2)c1,-9.416
MOL_01_029206,[NH3+]Cc1ccc(Cl)cc1NC(=O)c2cccc(c2)-n3ccnc3,-9.412
MOL_02_024422,CC(C)Nc1ccnc(N2CC[C@@H]([C@H](C[NH3+])n3cc(-c4ncnc5c4CCN5)cn3)C2)n1,-9.407
MOL_01_026112,[H]/N=C(\c1cc(C[NH3+])c(C[NH3+])c(C[NH3+])c1)c1cccc2c1ccn2C,-9.404
MOL_01_027205,C[N+]1=C(N)c2c(ccc(C(=[NH2+])NCc3ccc(F)cc3)c2C[NH3+])N[C@@H]1c1ccc(F)cc1,-9.4
MOL_02_025697,[NH3+]Cc1cc(Nc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)ccc1N1CCC(O)CC1,-9.385
MOL_02_036379,C[C@@H]1CCc2ncnc(N3CC4(CC[NH2+]CC4)c4cc(CC[NH3+])ccc43)c21,-9.382
MOL_01_032736,CCc1ccc([C@H](O)Cc2c(Cl)cncc2Cl)c(CC[C@H]([NH3+])O)c1CC,-9.378
MOL_01_027648,Cc(c1)ccc(c12)c(C[C@H](N)[C@H]([NH3+])N)nc3c2c(N)ncc3,-9.363
MOL_01_002043,[NH2+]1CC[NH2+]C1[C@H](O)N([C@H]2C[NH2+]C[NH2+]2)Cc(c(F)n3)cc(c34)cc(F)nc4F,-9.356
MOL_02_007866,ON[C@@H](Cc1ccc2ccccc2c1)[C@@H](O)[NH2+]CCCCCC[NH2+][C@@H](O)[C@@H](Cc1ccc2ccccc2c1)NO,-9.338
MOL_01_010651,c1ccccc1C[NH2+][C@H](CC[NH3+])CCc2cccc(c23)cncc3,-9.331
MOL_02_034492,C[NH2+][C@H](O)Nc1nc(-c2ccc(C[NH+]3CCC(n4c(=O)[nH]c5ccccc54)CC3)cc2)c(-c2ccccc2)cc1N,-9.324
MOL_02_009767,Cc1cnn(C)c1-c1cc([C@H](O)N[C@@H]2C[NH2+]C[C@H]2c2ccc(C(Cl)(Cl)Cl)cc2)oc1C,-9.318
MOL_02_022275,C[NH2+]C[C@H](O)COc1cccc(-c2nc(NCCC[N@H+]3CCC[C@H]3[O-])cc(-c3cc4ccccc4o3)n2)c1,-9.315
MOL_02_009775,CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(Cl)c(C(Cl)(Cl)Cl)c3)cn2CC[NH3+])CC1,-9.304
MOL_02_033063,[NH3+]Cc1cc2ccccc2nc1-n1cnc(C[NH3+])c1C[NH3+],-9.303
MOL_01_031450,C[C@H]([NH3+])c1ccc(Cl)cc1N[C@H]([NH3+])Cc1cccc2ccccc12,-9.297
MOL_02_024085,[NH3+]Cc1cnc2c(NC3CC3)cc(Nc3cc(N(C[NH3+])C[NH3+])cc(N4CC[NH+](CCO)CC4)c3)nn12,-9.271
MOL_02_023375,Cc1ccc2ncnc(N3CCC[C@]4(CC[NH2+]C4)C3)c2n1,-9.265
MOL_01_029898,Nc1c(Cl)cccc1NC(=O)[C@@H](NC(=O)c1ccccc1Cl)[C@@H](N)[NH3+],-9.246
MOL_02_026593,N[C@@H]([NH3+])C1CCN(c2cccc3nccn23)CC1,-9.244
MOL_02_009056,Cc1ccc([C@H](N[C@H](O)c2ccc3cnccc3c2)C2CC[NH2+]CC2)cc1C,-9.23
MOL_02_009416,[NH3+]Cc1cc(N[C@H](O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)ccc1Cl,-9.228
MOL_02_009184,[NH3+]Cc1cccc(N[C@H](O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)c1O,-9.225
MOL_02_025751,Cc1ccc([C@H](C[NH+]2CCC([NH+](C)C)CC2)[C@H]([O-])[NH+]2CCN(c3ncnc4c3[C@@H](C)C[C@H]4O)CC2)cc1Cl,-9.221
MOL_02_008884,Nc1ncnc2c1ncn2[C@@H]1O[C@@H](C[C@H]([NH3+])CC2CCCCC2)[C@@H](O)[C@H]1O,-9.208
MOL_02_009173,Cc1ccc([C@H](N[C@H](O)c2ccc3cnccc3c2)C2CC[NH2+]CC2)cc1C[NH3+],-9.207
MOL_01_000904,CCc1ccc(NC)c(c1)CN[C@H](O)[C@H]([NH2+]C)n(c2=O)cc(F)c(c23)[nH]c4c3cccc4,-9.206
MOL_01_032245,[NH3+]Cc1ccc(N[C@H]([NH3+])CN[C@H]([NH3+])Cc2cccc3ccccc23)c(C[NH3+])c1,-9.198
MOL_01_028752,[NH3+]Cc1cc(C[N@H+]2CCC[C@@H]([C@H]([NH3+])Nc3ccccc3Cc3cccnc3)C2)ccc1F,-9.197
MOL_02_009560,O=c1cc(N2CCOCC2)nc(C[C@H](O)Nc2cccc(Cl)c2O)[nH]1,-9.194
MOL_02_009644,Cc1cc([C@H](N[C@H](O)c2ccc3cnccc3c2)C2CC[NH2+]CC2)cnc1C,-9.192
MOL_02_027809,C[NH2+]CCn1cc(-c2ccc(Cl)c(C)c2)[nH+]c1C1CCN(c2ncnc(N)c2N)CC1,-9.192
MOL_02_033147,O=c1cc(N2CCOCC2)nc(C[C@H](O)Nc2ccccc2O)[nH]1,-9.182
MOL_02_017998,Cc1cc(-c2cn(CC3C[NH+](C)C3)c(C3CCN(c4ncnc(N)c4C)CC3)[nH+]2)ccc1Cl,-9.17
MOL_01_029228,C[C@](C[NH3+])(COc1ccc(C[NH3+])cc1C(F)(F)F)N[C@@H]([NH3+])c1ccc(C(F)(F)F)cc1,-9.158
MOL_01_026927,CCCc1ccc([C@H]([NH3+])Nc2ccc(OC)nc2[C@H]([NH3+])NCC2CCOCC2)c2ccccc12,-9.156
MOL_01_007514,Fc1cc(F)c(F)cc1C[C@H]([NH3+])C[C@H]([NH3+])N(C2)CCn(c23)cnc3-c4ccccn4,-9.153
MOL_01_029476,Cn1cc(N[NH2+]N[C@H]([NH3+])CCc2ccc(F)cc2)c2ccccc21,-9.144
MOL_01_014798,[NH3+]Cc1c(Cl)cc(Cl)cc1[C@H]([NH3+])Nc2cccc(c23)cccn3,-9.14
MOL_02_002683,C[N@H+](CCC[NH2+][C@H](O)Nc1ccc(C(C)(C)C)cc1)C[C@@H]1O[C@@H](n2ccc3c(N)ncnc32)[C@@H](O)[C@H]1O,-9.138
MOL_02_009330,CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(Cl)c(C)c3)cn2CC[NH+](C)C)CC1,-9.138
MOL_01_029023,C=C(C[C@H]([NH3+])/C(C)=N/c1cc(C(F)(F)F)ccc1Cl)c1cc(C[NH3+])c(C[NH3+])cc1C[NH3+],-9.134
MOL_02_009438,Cc1ccc([C@@H]2C[C@@H](CC[NH+](C)C)[NH2+]C[C@H]2N[C@H](O)c2cc(-c3c(C)cnn3C)c(C)o2)cc1C,-9.133
MOL_02_022598,[NH3+]Cc1cc(-c2ncnc3c2CCN3)cn1-c1ccccc1,-9.129
MOL_01_030159,NC(=[NH2+])C1=C(NC(=[NH2+])CCc2ccc3cc(N)ccc3c2)CC[C@H](c2ccc(F)cc2)C1,-9.125
MOL_01_019999,CCC[C@H]([NH3+])c1cnn(-c2ccc(Cl)cc2)c1N[C@H]([NH3+])c(c(N)c3)cc(c34)cc(C)cc4,-9.124
MOL_02_033532,[O-][C@@H]1[NH2+]CC[N@H+]1CCNc1ccc2ncc(-c3ccccc3)n2n1,-9.116
MOL_02_007893,COc1ccc2nccc(N(C)C[C@]3(O)CC[C@H]([NH2+]Cc4ccc5c(n4)N[C@@H](O)CC5)CC3)c2n1,-9.115
MOL_02_036325,C[C@@H]1CCc2ncnc(N3CC4(CC[NH2+]CC4)c4cc(C[NH3+])ccc43)c21,-9.105
MOL_02_005832,C[C@H](O)[C@H]([NH2+][C@H](O)CCc1ccccc1)[C@H]([O-])[NH2+][C@H](Cc1ccccc1)[C@H]([O-])[NH2+][C@H](CC[C@H]([NH3+])O)C(O)O,-9.103
MOL_02_031271,Oc1cccc2c1CCN2[C@H](O)C[C@H]1N[C@H]([NH+]2CCOCC2)C[C@H](O)N1,-9.099
MOL_02_002197,[NH3+]CC[C@H](N[C@H](O)c1ccc(-c2cccc(NC(O)(O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)c2)o1)[C@H](O)N1CC[NH2+]CC1,-9.085
MOL_02_012734,Nc1ncccc1-c1cncn1-c1ccc(C[NH3+])cc1,-9.084
MOL_01_031915,[NH3+]Cc1ccccc1[C@H]([NH3+])C[C@H]([NH3+])c1ccc(-n2ccnc2)cc1,-9.082
MOL_02_023691,Cc1[nH+]c(CC[NH3+])c2n1CCN(c1cccnc1)C2,-9.08
MOL_01_015142,c1cccc(c12)[C@@H]([NH3+])[C@@H]([C@H]2[NH3+])c3cc(F)cc(c3)Cc4cccnc4,-9.072
MOL_02_016364,[NH3+]Cc1cc2c(nc1-n1cnc(C[NH3+])c1C[NH3+])CCCC2,-9.066
MOL_02_010056,Cc1ccc([C@@H]2CC[NH2+]C[C@H]2N[C@H](O)c2cc(Cl)c(-c3ccnn3C)o2)cc1,-9.063
MOL_02_027323,[NH3+]Cc1cc2c(nc1-n1cnc(C[NH3+])c1C[NH3+])CCC2,-9.063
MOL_02_009557,C[C@@H]1CCc2ncnc(N3CC[NH+]([C@H]([O-])[C@H]([NH3+])Cc4ccc(Cl)cc4)CC3)c21,-9.059
MOL_01_019368,[NH3+]Cc1ccc(c(C[NH3+])c1C[NH3+])-c2cc(Nc3ccccc3)nn2-c4ccc(F)cc4,-9.057
MOL_02_045598,N[C@@H]([NH3+])NCCC[C@H]([NH2+][C@H](O)CCc1ccccc1)[C@H](O)N[C@H](Cc1ccccc1)[C@H]([NH3+])O,-9.055
MOL_01_027371,[NH3+]Cc1cccc([C@H]2CCN(c3ccc(-c4ccncc4)cc3)[C@@H]2[NH3+])c1,-9.055
MOL_01_028998,[NH3+]Cc1[nH]cc(c(=O)c1C[NH3+])[C@H](O)c2ccccc2Cl,-9.052
MOL_02_033089,Cc1nc2cccnc2n1-c1ccc(C[NH3+])c(C[NH3+])c1,-9.052
MOL_02_000546,CN1c2ccccc2[C@@H](c2ccccc2)N[C@@H]([NH2+][C@H](O)Nc2ccc(C(O)O)cc2)[C@H]1O,-9.051
MOL_01_029375,C[C@](C[NH3+])(COc1cc(C[NH3+])ccc1C(F)(F)F)N[C@@H]([NH3+])c1ccc(CC(F)(F)F)cc1,-9.051
MOL_02_009074,O=c1cc(N2CCOCC2)nc(C[C@H](O)Nc2cccc3c2NCCC3)[nH]1,-9.047
MOL_01_031717,[NH3+]Cc1ccc(C[NH+]2CCC([C@H]([NH3+])N3CCN(c4ccccc4F)CC3)CC2)cc1C[NH3+],-9.037
MOL_02_010040,Cc1ccc([C@H](N[C@H](O)c2ccc3cnccc3c2)C2CC[NH2+]CC2)cc1Cl,-9.035
MOL_02_035909,Cc1cc([C@H](C[NH2+]C(C)C)[C@H]([O-])[NH+]2CCN(c3ncnc4c3[C@@H](C)C[C@H]4O)CC2)cc(C(Cl)(Cl)Cl)c1,-9.034
MOL_02_035867,CC(C)[NH2+]C[C@H](c1cc(C(Cl)(Cl)Cl)cc(C(Cl)(Cl)Cl)c1)[C@H]([O-])[NH+]1CCN(c2ncnc3c2[C@@H](C)C[C@H]3O)CC1,-9.032
MOL_01_024540,O=c1cc(N2CCOCC2)nc(C[C@H](O)Nc2ccccc2OCC[NH+]2CCCC2)[nH]1,-9.029
MOL_01_030587,NC(=[NH2+])c1cc(Cl)c(Cl)cc1C(=[NH2+])Nc1cccc2cccnc12,-9.004
MOL_02_024932,[NH3+][C@@H]1Cc2cc(-n3ccnc3)ccc2[C@H]2[NH2+]CCCN12,-9.004
MOL_01_029844,CCc1cc(N[C@H]([NH3+])c2ccc(-c3ccccc3)cc2)c([C@@H](N)[NH3+])cc1CC,-8.998
MOL_02_015940,c1nc2c(c(N3CC[C@]4(CCCC[NH2+]4)C3)n1)CCN2,-8.994
MOL_01_030041,Cc1ccc(F)c(N[C@H]([NH3+])Nc2ccccc2CCc2ccc3nccn3n2)c1,-8.991
MOL_02_018033,Cc1ccc([C@H](C[NH3+])[C@H]([O-])[NH+]2CCN(c3ncnc4c3[C@@H](C)C[C@H]4O)CC2)c(Cl)c1,-8.991
MOL_02_007991,OC(O)c1c(Cl)cc(Cl)c(N[C@H](O)COCCOCCOCCOC[C@H](O)Nc2c(Cl)cc(Cl)c(C(O)O)c2Cl)c1Cl,-8.99
MOL_01_031092,Nc1ccc(-c2ccccc2)cc1N[C@H]([NH3+])c1ccc(CN(Cc2cccnc2)[C@H]([NH3+])[O-])cc1,-8.983
MOL_02_030892,O=c1[nH]nc2cc(NCC[NH+]3CCOCC3)ncn12,-8.979
MOL_02_020509,Nc1cc(-c2cncn2-c2cccc(C[NH3+])c2)ccn1,-8.974
MOL_02_009642,Cc1ccc(C[C@H]([NH3+])[C@H]([O-])[NH+]2CCN(c3ncnc4ccccc34)CC2)c(C)c1,-8.967
MOL_02_021162,Cn1nc2c(c1-c1ccccc1)-c1nc(N[C@@H]([NH3+])CC[NH2+]CCN3CC[NH+](C)CC3)ncc1CC2,-8.963
MOL_02_018366,Cc1ccc([C@H](CC[NH3+])[C@H]([O-])[NH+]2CCN(c3ncnc4c3[C@@H](C)C[C@H]4O)CC2)c(Cl)c1,-8.961
MOL_02_017955,[NH3+]Cc1cccc(-c2cc(-n3c4ccccc4c4ccncc43)nc(-n3c4ccccc4c4cc[nH+]cc43)c2)c1C[NH3+],-8.956
MOL_02_019873,[O-][C@@H]1CCC[N@@H+]1CCC[NH2+][C@H](O)Cc1cn(-c2ccc(Nc3ccc(-n4ccnc4)cc3)nn2)c2ccccc12,-8.955
MOL_01_032339,CCN(CC(=[NH2+])Nc1c(F)cccc1F)C(=[NH2+])[C@H]1CC(N)=[N+](CCc2ccccc2)C1,-8.951
MOL_01_029931,[NH3+]Cc1ccccc1N[C@H](O)C1C[NH+]([C@H]([O-])c2ccc3c(c2)OCO3)C1,-8.947
MOL_02_022518,Nc1ncnn2c([C@H](O)CN3CC[N@H+](Cc4ccccc4)C[C@H]3CO)ccc12,-8.946
MOL_01_026950,O=C(NCc1ccc(Cc2cncc(C(F)(F)F)c2)cn1)c1ccc2nccn2c1,-8.935
MOL_02_003276,CC(O)(O)c1ccc(C[N@H+]2CCC[C@@H](Nc3cccc4cnccc34)C2)cc1,-8.934
MOL_02_032341,O[C@H](N[C@@H]1COc2ccccc2C1)[NH+]1CCN(c2ccc3nccn3n2)CC1,-8.933
MOL_01_028777,[NH3+]Cc1cc(NCc2ccncc2)c([C@H](O)Nc2ccccn2)cc1C[NH3+],-8.929
MOL_01_030316,C[C@H]([NH3+])C[C@@H]([NH3+])N(CCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12,-8.927
MOL_02_024431,[NH3+]Cc1cc(-c2cccc3ccccc23)nnc1NCC[NH+]1CCOCC1,-8.924
MOL_01_026852,[NH3+][C@@H](c1ccc(C(F)(F)F)cc1)[C@H]1CCC[N@@H+](Cc2ccncc2)C1,-8.92
MOL_01_032140,[NH3+]Cc1cccc([C@H]([NH3+])Nc2cccc3cccnc23)c1C[NH3+],-8.918
MOL_02_015696,Nc1c(N(CC[NH3+])CC[NH3+])ncnc1-n1cnc2ccccc21,-8.918
MOL_02_009063,Cc1c(N)ncnc1N1CCC(c2nc(-c3ccc(Cl)cc3)cn2CC[NH+]2CCCC2)CC1,-8.912
MOL_02_019881,O[C@H](N[C@@H]1CC[C@@H]2CC[C@H]1[N@@H+]2Cc1c(Cl)cccc1Cl)[n+]1ccc2[nH]nc([C@@H]3CC[C@H]4[NH2+]CC[N@H+]4C3)c2c1,-8.91
MOL_02_009898,O=c1cc(N2CCOCC2)nc(C[C@H](O)Nc2cccc(N(O)O)c2O)[nH]1,-8.909
MOL_01_028287,Cc1ccc2c(c1)N(CCC[C@H]([NH3+])Nc1cccc(C(F)(F)F)c1)[C@H]([NH3+])CO2,-8.907
MOL_02_010049,C[NH2+]CCn1cc(-c2ccnc(C(Cl)(Cl)Cl)c2)nc1C1CCN(c2ncnc(N)c2Cl)CC1,-8.906
MOL_02_007352,Oc1cccc(C[C@@H]2C[NH2+]C[C@@H](Cc3cccc(O)c3)C2O)c1,-8.905
MOL_02_006136,COc1ccc([C@H](C[C@H]([NH3+])O)N2[C@H](O)c3ccccc3[C@@H]2O)cc1OC,-8.898
MOL_02_006763,[NH3+][C@@H]1CCC[C@@H](c2cc[nH+]cc2N[C@H](O)c2ccc(Cl)c(-c3c(Cl)ccc(O)c3Cl)n2)C1,-8.895
MOL_02_009071,Cn1nccc1-c1ccc([C@H](O)N[C@@H]2C[NH2+]CC[C@H]2c2cccc(Cl)c2)nc1,-8.884
MOL_01_025423,Cc1nc(-c2cccc(Cc3ccccc3)c2)c(C(N)=[NH2+])c(C(N)=[NH2+])c1N,-8.883
MOL_02_004412,OC(O)CC[C@H](NN[C@H](O)C[NH2+][C@H](O)Cc1ccccc1)c1ccccc1,-8.882
MOL_01_026645,Nc1cc(C[NH3+])c(C(=O)N[C@H]2CC[N@H+](CCCCc3ccc(F)cc3)C[C@@H]2C[NH3+])cc1Cl,-8.876
MOL_02_009625,Cc1cnn(C)c1-c1cc([C@H](O)N[C@H](C[NH3+])Cc2cccc(Cl)c2)oc1C,-8.872
MOL_01_032262,[NH3+]Cc1ccc([C@H]([NH3+])N2CCC([NH+]3CCN(c4ccccc4)CC3)CC2)cc1C[NH3+],-8.87
MOL_02_006297,Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CNC2=C(O)C(O)=C2Nc2cccc(N(O)O)c2)[C@@H](O)[C@H]1O,-8.866
MOL_02_010046,Nc1ncnc(N2CCC(c3nc(-c4ccc(Cl)c(Cl)c4)cn3CC[NH+]3CCCC3)CC2)c1Cl,-8.865
MOL_01_031407,[NH3+]Cc1ccc([C@H](C[NH3+])NC(=O)Cc2ccc(F)c(F)c2)c(C[NH3+])c1,-8.862
MOL_01_024838,Cc1ccc(-n2c(N)c3cc[n+](C[NH3+])[n+](C[NH3+])c3c2N)cc1,-8.858
MOL_02_018364,[NH3+]C[C@@H]1COCCN1c1cc2n[nH]c(=O)n2cn1,-8.857
MOL_02_023800,Cc1ccc([C@H](C[NH3+])N2CCN(c3[nH+]cnc4c3CCN4)CC2)cc1,-8.857
MOL_02_026342,CC[NH2+][C@H](NCCC[NH+]1CCN(c2cccc(C)c2)CC1)N[C@@H]1CCc2ncnn2C1,-8.857
MOL_01_028081,Cc1cccc(N[C@H]([NH3+])CC[C@H]([NH3+])Cc2cccc(C(F)(F)F)c2)c1C,-8.855
MOL_02_030799,C[NH2+][C@H](NCCn1cnc2ccccc21)N1CCN(c2cnn(C)c2)[C@@H](O)C1,-8.854
MOL_01_025288,Nc1ccc(C2=C3C(=Nc4cc(C[NH3+])c(C[NH3+])cc43)C(=[NH2+])N=C2)cc1,-8.852
MOL_02_009025,[NH3+][C@H](Cc1ccc(Cl)cc1)[C@H]([O-])[NH+]1CCN(c2ncnc3ccccc23)CC1,-8.85
MOL_02_034296,O[C@H]([NH2+]CCc1cccnc1)C1CCN(c2nnc3ccccn23)CC1,-8.845
MOL_02_002049,[NH3+][C@H](NO)c1ccc(CCc2cc(O)cc(O)c2)cc1,-8.839
MOL_02_002560,O=c1[nH]ccc2cc(OC[C@@H]3CCC[NH2+]C3)ccc12,-8.838
MOL_02_004842,Cc1ccc(OC[C@@H]2O[C@@H](n3c4ncnc(N)c4c4c(=O)[nH]c(=O)[nH]c43)[C@@](C)(O)[C@H]2O)cc1,-8.836
MOL_02_000944,N[NH2+]N[C@@]1(CO)O[C@@H](n2cnc3c(=O)[nH]cnc32)[C@@H](O)[C@H]1O,-8.834
MOL_02_019613,Nc1ccc(-n2cccc2C[NH3+])c2ccncc12,-8.833
MOL_02_036135,Nc1ccc2ncnn2c1-c1ccc(C[NH3+])cc1,-8.832
MOL_02_027224,Cc1nccn1-c1cccc(NCc2cn3c([nH+]2)CCCC3)n1,-8.825
MOL_01_031176,Nc1cc(-c2ccc(N[C@@H]([NH3+])NCc3cccc(C[NH3+])c3)cc2)ccn1,-8.822
MOL_02_031336,Cc1ccc2ncc(-c3ccc(N4CC[NH+](C)CC4)c(C[NH3+])c3)n2n1,-8.815
MOL_02_009374,COc1ccc(C[C@H]([NH3+])[C@H]([O-])[NH+]2CCN(c3ncnc4ccccc34)CC2)cc1,-8.814
MOL_02_019648,O[C@H](NCc1ccc2c(c1)CCO2)[NH+]1CCN(c2ccc3nccn3n2)CC1,-8.814
MOL_02_009838,Cc1cnn(C)c1-c1coc([C@H](O)NC2(c3ccc(Cl)cc3)CC[NH2+]CC2)c1,-8.812
MOL_01_029648,[NH3+]Cc1cc2c(cc1C[NH3+])C(=O)[C@H]1CCC[C@H]1C=C2,-8.811
MOL_02_025971,[NH3+][C@H](Nc1ccc(-n2ccnc2)nc1)c1ccc(-n2ccc3cccnc32)cc1,-8.807
MOL_02_009643,C[C@@H]1CN([C@H](O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)c2cccc(O)c21,-8.8
MOL_01_029651,[NH3+]C[C@]1(N[C@H](O)c2ccn(-c3ccccc3Cl)n2)C=C=CC1,-8.799
MOL_01_031123,NC(N)([NH3+])c1ccc(CCC(=[NH2+])Cc2cccc3cnccc23)cc1,-8.798
MOL_02_002674,COc1ccc([C@H](O)Nc2nc(-c3ccccc3O)cc(-c3cccc([C@H](O)NC(C)(C)C[NH3+])c3)c2C[NH3+])cc1,-8.793
MOL_02_002475,N[C@@H]([NH3+])N[C@H](O)c1cnn(-c2cccc3ncccc23)c1C1CC1,-8.793
MOL_01_029696,[NH3+]Cc1cc2c(cc1C[NH3+])C[N@H+](CCCN1CCc3c(CCCF)cccc3[C@H]1[NH3+])CC2,-8.792
MOL_02_009623,COc1cc2cnccc2cc1[C@H]([O-])[NH2+][C@H](c1ccc(C)c(C)c1)C1CC[NH2+]CC1,-8.791
MOL_02_033357,O[C@H]([NH2+]CCc1ccccc1)[C@@H]1CCCN(c2c3c(nc4ncnn24)CCC3)C1,-8.785
MOL_02_018700,C[C@@H]1C[C@@H](O)c2ncnc(N3CC[NH+]([C@H]([O-])[C@H]([NH3+])Cc4ccc(Cl)cc4)CC3)c21,-8.784
MOL_01_027722,C[C@H]([NH3+])Nc1cccc(NC[C@H]([NH3+])NC2=Nc3ccc4c(c3=C2)=CN=N4)c1,-8.779
MOL_02_005216,CC[NH2+][C@H](O)NC[C@@H]1Cc2ccccc2CN1[C@H](O)[C@H]([NH3+])Cc1c(C)cc(O)cc1C,-8.777
MOL_02_020454,Nc1cc(-c2cncn2-c2ccc(C[NH3+])cc2)ccn1,-8.775
MOL_02_009200,[NH3+][C@H](Cc1ccc(Cl)c(Cl)c1)[C@H]([O-])[NH+]1CCN(c2ncnc3ccccc23)CC1,-8.774
MOL_02_009493,Nc1ncnc(N2CC[C@@]3(CCC[N@H+](C[C@H](O)CNC(O)(O)c4ccccc4Cl)C3)C2)c1C1CC1,-8.773
MOL_01_026941,[NH3+]Cc1ccc([C@H](O)Nc2c(Cl)cncc2Cl)c2ccnn12,-8.771
MOL_02_029419,Nc1ncnc2c1ncn2Cc1ccc(Cl)c(C[NH3+])c1,-8.77
MOL_02_030877,C[C@@H]1CN([C@H](O)C[C@@H]2C[C@@H](O)C[C@@H]([NH+]3CCOCC3)N2)c2cccc(O)c21,-8.769
MOL_02_009369,[NH3+][C@H](Cc1ccc(C(Cl)(Cl)Cl)cc1)[C@H]([O-])[NH+]1CCN(c2ncnc3ccccc23)CC1,-8.761
MOL_02_016695,[NH3+][C@@H]1CCCN(c2cccc(-c3cnc4ccccn34)n2)C1,-8.761
MOL_02_023131,C[C@H](O)c1cnc(N2CC[C@@H]([C@H](CC[NH3+])n3cc(-c4ncnc5c4CCN5)cn3)C2)c(N)n1,-8.761
MOL_01_029323,Nc1cncc2ccc(C(=O)CCc3ccccc3C[C@@H](N)[NH3+])nc12,-8.76
MOL_02_009851,Cc1ccc([C@@H]2C[C@@H](CCO)[NH2+]C[C@H]2N[C@H](O)c2cc(-c3c(C)cnn3C)c(C)o2)cc1C,-8.76
MOL_02_014703,[NH3+]C[C@H](c1ccc(Cl)cc1)N1CCN(c2ncnc3c2CCN3)CC1,-8.758
MOL_02_002505,C[C@@H](N[C@@H]1C[N@H+]2CC[C@@H]1CC2)[NH2+]NCc1c(O)ccc2ccccc12,-8.758
MOL_01_030043,[NH3+]Cc1cc(CC(=O)Cc2cccc3cccnc23)cc(C[NH3+])c1C[NH3+],-8.757
MOL_02_011904,c1nc2c(c(N3CC[NH2+]CC3)n1)CCN2,-8.757
MOL_02_035901,CC(C)[NH2+]C[C@H](c1ccc(C(Cl)(Cl)Cl)cc1)[C@H]([O-])[NH+]1CCN(c2ncnc3c2[C@@H](C)C[C@H]3O)CC1,-8.755
MOL_01_025289,Cc1cc(C[NH3+])ccc1-c1ncncc1-c1ccc(C[NH3+])cc1,-8.754
MOL_02_009002,Cc1ccc([C@@H]2CC[NH2+]C[C@H]2N[C@H](O)c2ccc(-c3ccnn3C)o2)cc1,-8.753
MOL_02_009201,COCC[NH2+]C[C@H](c1ccc(C)cc1)[C@H]([O-])[NH+]1CCN(c2ncnc3c2[C@@H](C)C[C@H]3O)CC1,-8.753
MOL_02_032261,Cc1ccc2ncnc(N3N[C@@]([NH3+])(c4ccc(N5CCOCC5)c(C)c4)N[C@H]3[NH3+])c2c1,-8.753
MOL_02_009903,Cc1cccc(N[C@H](O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)c1O,-8.748
MOL_02_029980,Clc1ccc(-c2ccccc2C[NH+]2CCN(CCCn3cnc4ccccc43)CC2)cc1,-8.745
MOL_01_025906,C[C@]1(C(=[NH2+])NCc2cccc(Cl)c2)Cc2nccc(-c3cccc(C(N)=[NH2+])c3)c2C1,-8.738
MOL_02_009854,CC(C)[C@H](c1nc(N2CCOCC2)cc(=O)[nH]1)[C@H](O)Nc1ccc(Cl)cc1,-8.737
MOL_02_019339,O[C@@H]1C[C@@H](C[C@H](O)N2CCc3c(-c4ccncc4)cccc32)N[C@@H]([NH+]2CCOCC2)C1,-8.736
MOL_02_026624,c1nc2c(c(N3CCC[C@]4(CCC[NH2+]C4)C3)n1)CCC2,-8.733
MOL_01_032249,[NH3+]Cc1ccc(CCN2CNC(CCc3ccc(Cl)c(Cl)c3)=[NH+]C2)cc1C[NH3+],-8.732
MOL_02_006671,CCC(CC)[C@H](O)Nc1cc(N[C@H](O)CCc2ccc(O)c(O)c2)ccc1O,-8.732
MOL_02_036021,[NH3+]Cc1cnc2ccccc2c1-n1cccc1C[NH3+],-8.731
MOL_02_027682,Clc1ccc(-c2cn(CC[NH+]3CCC3)c(C3CCN(c4ncnc5c4CCCN5)CC3)n2)cc1C(Cl)(Cl)Cl,-8.729
MOL_02_009532,O=c1cc(N2CCOCC2)nc(C[C@H](O)Nc2cccc(OC(Cl)(Cl)C(Cl)Cl)c2)[nH]1,-8.717
MOL_02_021970,[NH3+][C@H](N[C@H]([NH3+])C1CC[NH+](Cc2ccc(-c3nc4ccn5cnnc5c4cc3-c3ccccc3)cc2)CC1)c1ccccn1,-8.71
MOL_02_004044,CCc1[nH+]c2ccc([C@H](O)NCc3ccc4c(c3)OCO4)cn2c1N(CCC(C)C)CC[NH+](C)C,-8.71
MOL_01_028034,NC(=O)N1CCC(Cc2ccc(C(=O)N3CCCC[C@@H]3CCC[NH3+])cc2C[NH3+])CC1,-8.709
MOL_02_037364,Nc1nc(CCCCn2c(=O)[nH]c3ccccc32)c(C[NH3+])c(-c2ccccc2)c1C[NH3+],-8.708
MOL_02_012519,Nc1c(-n2ccnc2C[NH3+])ccc2cnccc12,-8.706
MOL_01_025977,Cc1cc(-n2cc3c(n2)CN([C@H]([NH3+])c2cc(C[NH3+])ccc2CCC2CC2)C3)ccn1,-8.705
MOL_01_032791,CN(CCc1ccc(C[NH3+])c(C[NH3+])c1)[C@H]([NH3+])Cc1ccc(-c2ccccc2)cc1,-8.704
MOL_02_009118,Cc1ccc([C@H](N[C@H](O)c2ccc3cnccc3c2)[C@@H]2CCC[NH2+]C2)cc1C,-8.704
MOL_01_030503,CC(C)c1cc2c(C[C@H]([NH3+])CC[NH3+])ncnc2cn1,-8.703
MOL_02_037181,[NH3+]Cc1ccc(N2CCC([NH2+][C@H](O)NCCCc3nnc4n3CCCCC4)CC2)nc1,-8.703
MOL_02_006089,Cc1cc2c(=O)[nH]ccc2cc1N[C@H](O)c1ccccc1,-8.701
MOL_01_029870,C[C@](C[NH3+])(COc1cc(C[NH3+])ccc1C(F)(F)F)N[C@@H]([NH3+])c1ccc(C(F)(F)F)cc1,-8.698
MOL_01_024684,CCCc1ccc(N[C@H]([NH3+])c2cc3nc4c(C)cccn4c(N)c-3c2)cc1,-8.695
MOL_02_008276,[NH3+]CC(C[NH3+])[C@H](C[NH3+])c1ccc(CO)cc1,-8.695
MOL_01_031846,C[C@](C[NH3+])(CCc1c(Cl)cccc1Cl)N[C@@H]([NH3+])c1ccc(C(F)(F)F)cc1,-8.692
MOL_02_006414,Nc1ncnc2c1ncn2[C@@H]1O[C@@H](COC(O)(O)OC(O)(O)OC[C@@H]2O[C@@H](N3CCC[C@@H]([C@H]([NH3+])O)C3)[C@@H](O)[C@H]2O)[C@@H](O)[C@H]1O,-8.692
MOL_02_002512,Cc1ccccc1C[N@@H+]1CC[N@@H+](C[C@H](O)NCc2cccnc2)[C@H]1[O-],-8.689
MOL_02_003840,CC[N@H+](Cc1ccccc1)C[C@H](O)N[C@H](O)[NH2+]C1CCCCC1,-8.685
MOL_02_030032,[NH3+]Cc1cccc(-c2cc(-n3c4c(c5cc(C[NH3+])ccc53)CCCC4)nc(-n3c4ccccc4c4cccnc43)c2)c1,-8.682
MOL_02_024562,c1cc(N2CCC[C@]3(CCC[NH2+]C3)C2)n2ccnc2c1,-8.681
MOL_02_010044,CCc1c(N)ncnc1N1CCC(c2[nH+]c(-c3ccc(OC)c([C@H]([NH3+])[O-])c3)cn2CC[NH+]2CCC2)CC1,-8.672
MOL_01_030722,CC(C)(C)c1ccc(C[NH3+])c(N[C@H](O)NCN(O)C2=[NH+]N[C@H](O)CC2)c1,-8.671
MOL_02_024911,Cc1c(C)n(CC[NH+]2CCCC2)c2ncnc(N)c12,-8.671
MOL_02_012478,CC(C)([NH3+])c1cncn1-c1cccc2cnccc12,-8.667
MOL_02_009513,Cc1ccc(C[C@H]([NH3+])[C@H]([O-])[NH+]2CCN(c3ncnc4ccccc34)CC2)cc1,-8.666
MOL_01_028731,CCn1cc(C(N)=[NH2+])c(=[NH2+])c2cccc(C)c21,-8.663
MOL_02_003729,C[C@@H]1NN([C@H](C)[NH3+])[C@@H](O)[C@H]1NNc1ccc(O)cc1,-8.662
MOL_02_024667,[NH3+]Cc1cccc(-c2cc(-n3c4c(c5ccccc53)CC[NH2+]C4)nc(-n3c4ccccc4c4cc(C[NH3+])ccc43)c2)c1,-8.661
MOL_02_001241,Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CNC(O)(O)N[C@H](O)CCCC[C@@H]2CC[C@@H]3[NH2+][C@@H]([O-])[NH2+][C@H]23)[C@@H](O)[C@H]1N,-8.661
MOL_01_026671,CNc1cccc(CN[C@H]([NH3+])Cn2c(CC[C@H]([NH3+])Nc3ccc(C)cc3)nc3ccccc32)c1,-8.659
MOL_01_026739,CC(C)C[C@H](NC(=[NH2+])[C@@H](Cc1ccccc1)/[NH+]=C(\N)c1ccc2ccccc2n1)C(O)O,-8.659
MOL_01_028398,CCc1ccc(CC)c(N[C@H]([NH3+])c2nnn(C[C@H]([NH3+])Nc3ccc(C(C)C)cc3)c2N)c1,-8.657
MOL_02_003185,CC[C@H](Cc1ccccc1)[C@H](O)[NH2+][C@H](CCCc1ccc(C)cc1)[C@H](N)O,-8.657
MOL_02_009376,Nc1ncnc(N2CC[NH+]([C@H]([O-])[C@H]([NH3+])Cc3ccccc3)CC2)c1Cl,-8.657
MOL_02_009709,O[C@H](NCC[NH2+]CCCc1ccc(Cl)cc1)c1cccc2cnccc12,-8.657
MOL_02_033019,Nc1ccc2ncnc(-n3cnc(C[NH3+])c3C[NH3+])c2c1,-8.656
MOL_02_017408,CC(C)[NH2+]C[C@H](c1ccc(Cl)c(Cl)c1)[C@H]([O-])[NH+]1CCN(c2ncnc3c2[C@@H](C)C[C@H]3O)CC1,-8.656
MOL_02_005986,Nc1ncnc2c1ncn2[C@@H]1O[C@@H]([C@H](O)NC2CC2)[C@@H](O)[C@H]1O,-8.655
MOL_02_009039,Cc1ccc([C@@H]2C[C@@H](CC[NH+]3CCCCC3)[NH2+]C[C@H]2N[C@H](O)c2cc(-c3c(C)cnn3C)c(C)o2)cc1C,-8.655
MOL_02_004488,Cc1cc2c(=O)[nH]ccc2cc1N[C@H](O)[C@H]1CC[C@H]([NH3+])CC1,-8.655
MOL_02_032659,Cn1ncc2c(N3CC[NH+](Cc4cn5ccccc5c4C[NH3+])CC3)ncnc21,-8.649
MOL_01_027226,C=C(Cc1ccc(Cc2ccnc3cc(C[NH3+])c(C[NH3+])cc23)cc1)c1ccncc1,-8.648
MOL_01_028122,[NH2+]=C(CCCCCC(=[NH2+])Cc1cnc2ccccc2c1)Cc1ccccc1,-8.648
MOL_01_029349,Cc1c(C)c2c(c(C)c1N)CC[C@](C)(C[NH2+]Cc1ccc(C[NH3+])c(C[NH3+])c1)C2,-8.646
MOL_01_030805,Cc1cccc([C@H](C)[NH3+])c1N[C@H]([NH3+])Cc1cccc2ccccc12,-8.646
MOL_02_008513,Nc1nccc(N2CCC3(CC2)C[NH2+]C3)n1,-8.645
MOL_02_012769,Nc1ncccc1-c1cncn1-c1cccc(C[NH3+])c1,-8.645
MOL_02_026782,[NH3+]C[C@@H]1COCCN1c1ccc2n[nH]c(=O)n2n1,-8.645
MOL_01_027235,N[C@@]1([NH3+])N[C@]1(c1ccc(F)cc1)[C@H]([NH3+])[C@H]1C[C@@H](c2cccnc2)C1,-8.644
MOL_02_009583,O=c1cc(N2CCOCC2)nc(C[C@H](O)Nc2ccc(Cl)c(Cl)c2)[nH]1,-8.64
MOL_01_027891,CCc1ccc2nccc(CCN[C@H]([NH3+])c3ccc(CC(F)(F)F)cc3)c2c1,-8.637
MOL_02_017351,OC[C@@H]1CCCN1c1nc(Nc2cn(-c3ccnc4ccccc34)cn2)c2cccn2n1,-8.634
MOL_02_017697,COc1cc(N2CC[NH+]([C@H](O)NCCn3cnc4ccccc43)CC2)ccc1-n1cnc(C)n1,-8.634
MOL_02_031343,Nc1ncnc2c1ncn2Cc1cccc([C@@H](N)[NH3+])c1Cl,-8.633
MOL_02_009586,Cc1ccc([C@@H]2C[C@@H](C[C@H](O)[NH2+]C3CCC3)[NH2+]C[C@H]2N[C@H](O)c2cc(-c3c(C)cnn3C)c(C)o2)cc1C,-8.631
MOL_01_027742,Cc1ccc(CN2CCCn3nc([C@H]([NH3+])NCCc4ccc(C[NH3+])c(C[NH3+])c4)cc3[C@H]2[NH3+])cc1,-8.628
MOL_02_006423,CCCCCCCC[C@]1(Cc2ccc(OC)cc2)[C@H](O)N[C@H](O)N[C@@H]1O,-8.627
MOL_02_012141,Nc1ncccc1-c1nccn1-c1ccc(C2([NH3+])CCC2)cc1,-8.624
MOL_01_026502,[NH3+]Cc1cc([C@H]([NH3+])NCC[NH+]2CCC([C@H]([NH3+])c3ccc(F)cc3)CC2)c(C[NH3+])cc1Cl,-8.621
MOL_01_026276,[NH3+]Cc1cc(O)c2c(c1C[NH3+])CCCC2=O,-8.621
MOL_02_009865,Cc1ccc(C[C@H]([NH3+])[C@H]([O-])[NH+]2CCN(c3ncnc4ccc(N(C)C)cc34)CC2)cc1,-8.619
MOL_01_026837,Cc1ccc(F)c(C(=[NH2+])N2C[C@H](C(N)=[NH2+])[C@@H](c3ccccc3)C2)c1Cl,-8.614
MOL_02_022164,[NH3+]CCCn1cc(Nc2ncc(C[NH3+])c(NCc3cccc(N4CCOCC4)c3)n2)cn1,-8.614
MOL_02_018577,Cc1cc(N2CCN(c3nc4c(c(C[NH3+])c3C[NH3+])CCCCCC4)CC2)n2ncnc2n1,-8.613
MOL_02_005593,Cc1ccc(N[C@H](O)[C@H](O)[C@@H]2[C@@H]([NH3+])NN(c3ccccc3)[C@H]2O)cc1,-8.612
MOL_02_009860,CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(Cl)c(C(Cl)(Cl)Cl)c3)cn2CC[NH+](C)C)CC1,-8.61
MOL_02_009261,CN(C)c1cccc(N[C@H](O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)c1,-8.606
MOL_02_009417,O=c1cc(N2CCOCC2)nc(C[C@H](O)Nc2cccc3occc23)[nH]1,-8.605
MOL_01_026769,Cn1ncnc1-c1cc(Cc2ccc(N[C@H]([NH3+])Nc3cccc(C(F)(F)F)c3)cc2F)ccn1,-8.604
MOL_02_003696,Cc1[nH]c(=O)[nH]c(=O)c1CC[C@H](O)[NH2+][C@H](CO)[C@H](O)c1ccc(N(O)O)cc1,-8.603
MOL_02_022901,Cc1cnn2c(Nc3ccc(C[NH3+])cc3)c(C[NH3+])c(NCC[NH+]3CCOCC3)nc12,-8.599
MOL_01_031259,[NH3+]Cc1ccccc1CN[C@H]([NH3+])CN1Cc2cccc3cccc1c23,-8.598
MOL_02_031989,O[C@H](C[N@H+]1CCCN[C@H]1O)Nc1ccnc2ccnn12,-8.596
MOL_02_032273,Cc1cc(N2CCC[NH2+][C@@H](O)C2)n2ncnc2n1,-8.596
MOL_02_000367,CO[C@H](O)N[C@H](C[C@H](O)[NH+]1CCC(Cn2c(C)nc3cnccc32)CC1)c1ccccc1,-8.592
MOL_02_036859,[NH3+][C@@H]1CCCCN(c2cc[nH+]cc2Nc2cccc3cnc(-c4c(Cl)cccc4Cl)nc23)C1,-8.591
MOL_02_017028,Nc1ncnc(N2CCC(c3nc(-c4ccnc(C(Cl)(Cl)Cl)c4)cn3CC[NH+]3CCC3)CC2)c1O[C@@H](Cl)C(Cl)Cl,-8.591
MOL_02_010057,C[C@@H]1CN(c2cc(=O)[nH]c(C[C@H](O)Nc3ccc(Cl)cc3)n2)CCO1,-8.589
MOL_02_036190,Nc1ncnc2c1cnn2-c1ncccc1C[NH3+],-8.589
MOL_01_027504,CC(=O)C[C@H](C[NH3+])c1ccc(Cl)c(CCc2ccnc3ccccc23)c1,-8.589
MOL_01_032820,CCc1ccc(CN[C@H]([NH3+])CN2N=C(c3ccc(Cl)cc3)CC[C@@H]2[NH3+])cc1,-8.589
MOL_02_009377,COc1cc(N[C@H](O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)ccc1Cl,-8.586
MOL_02_014191,CCc1cnc(N2CCC(c3nnc4c(Nc5ccc(-n6cncn6)nc5C)cccn34)CC2)nc1,-8.586
MOL_02_006805,Nc1ncnc2c1ncn2OCCOCC(O)(OCc1ccccc1)OCc1ccccc1,-8.584
MOL_02_009356,Cc1c(N)ncnc1N1CCC(c2nc(-c3ccc(O)c(C(Cl)(Cl)Cl)c3)cn2CC[NH+]2CCCC2)CC1,-8.58
MOL_01_029583,NOc1cc(C[NH+]2CCC(C(=[NH2+])N3CCN(c4ccccc4F)CC3)CC2)cc(ON)c1ON,-8.579
MOL_01_027192,CCn1cc2c(n1)[C@H](CC[NH3+])CN([C@H]([NH3+])CCCc1ccccc1)C2,-8.578
MOL_01_031146,NOc1ccc(N[C@H]([NH3+])CCC[C@H]([NH3+])N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1,-8.578
MOL_02_009468,O=c1cc(N2CCOCC2)nc(C[C@H](O)Nc2cccc(Cl)c2)[nH]1,-8.578
MOL_02_013262,C[NH+]1CCN(c2ccc(-n3ncc4c(N)ncnc43)c(C[NH3+])c2)CC1,-8.575
MOL_01_025201,CCn1c(N)c2cc([C@H]([NH3+])N(CC[NH+](C)C)Cc3ccccc3)cc-2c2ccccc21,-8.575
MOL_02_008292,[O-]c1cccc(C(O)O)c1[C@@H](O)c1c(O)cc([C@@H](O)N[C@@H]2C[NH2+]C[C@H]2N[C@@H](O)c2ccc(O)cc2)cc1O,-8.575
MOL_02_004139,Cc1ccccc1-c1cc(C(O)O)c2cnn(Cc3ccncc3)c2n1,-8.57
MOL_02_016956,C[C@@H]1OCc2ncnc(N3CC[NH+]([C@H]([O-])[C@H](CC(C)(C)[NH3+])c4ccc(Cl)c(Cl)c4)CC3)c21,-8.57
MOL_02_002950,CC(C)C(O)(O)[C@@H]1[NH2+]C[C@@H]2N[C@@H](O)[C@@H](Cc3ccc(-c4ccccc4)o3)[C@@H]([NH3+])N21,-8.569
MOL_01_026980,NC1=[N+](c2ccccc2)[C@H](c2ccc(C[NH3+])cc2)[C@H]1CCCc1cccnc1,-8.568
MOL_02_002756,[NH3+][C@H](Cc1ccc(O)cc1)[C@H](O)N[C@@H]1CCCC2(CCCCC2)[C@@H](C(O)O)[NH2+][C@@H]([O-])[C@@H](Cc2ccccc2)[NH2+][C@@H]([O-])C[NH2+][C@H]1O,-8.566
MOL_02_036005,CC(C)c1nc2cnccc2n1-c1cccc(C[NH3+])c1,-8.565
MOL_02_015566,NC(N)c1cc(N2CCn3cnnc3C2)cc[nH+]1,-8.564
MOL_02_009605,C[C@@H]1C[C@@H](O)c2ncnc(N3CC[NH+]([C@H](O)[C@H](C[NH2+]C(C)(C)CO)c4ccc(C(Cl)(Cl)Cl)c(Cl)c4)CC3)c21,-8.564
MOL_01_029868,[NH3+]Cc1ccc(C[C@H]([NH3+])NCCC[NH+]2CCN(c3ccccc3F)CC2)cc1C[NH3+],-8.564
MOL_01_027978,Cc1ccc(CN2C=C[NH+]=C(N)[C@@H]2CC(=[NH2+])N[C@@H]2CCCc3cc(C[NH+](C)C)ccc32)cc1,-8.563
MOL_01_029054,NC(N)(N)c1nc(CCC(=[NH2+])Cc2ccc3c(c2)CCCC3)c2ccccc2n1,-8.563
MOL_02_006930,COc1ccccc1N[C@H](O)c1cc(N(O)O)ccc1N[C@@H]1CN(C)CC[N@H+]1C,-8.562
MOL_02_024465,Nc1c(C[NH3+])c([C@H](C[NH3+])Cc2cc3ccccc3nc2N2CCOCC2)nn1-c1ccccc1,-8.562
MOL_02_031030,c1cncc(C[N@H+]2CCC[C@@H](n3ccnc3-c3cccc4cnccc34)C2)c1,-8.562
MOL_02_016269,Cc1c(C)n([C@@H]2CC[N@H+]3CCC[C@H]3C2)c2ncnc(N)c12,-8.561
MOL_02_034559,Cc1ccccc1C1CC[NH+](CCCCn2cnc3ccccc32)CC1,-8.56
MOL_01_032199,[NH3+]Cc1ccc2ccc(-c3ccccc3)c(O)c2c1C[NH3+],-8.56
MOL_02_032144,COc1ccc(Cn2ncc(N[C@H](O)c3cc(N[C@H](O)c4cccc(C(Cl)(Cl)Cl)c4)ccc3C)c2N)cc1,-8.558
MOL_02_025252,C[N@@H+]1C[C@@H](c2ccccc2)CC12CCN(c1cc(N)ncn1)CC2,-8.557
MOL_01_030622,CNc1cc(C[NH3+])c(C(=[NH2+])NC2CC[NH+](Cc3ccccc3)CC2)cc1Cl,-8.554
MOL_02_009503,Cc1cc(-c2cn(CC3C[NH2+]C3)c(C3CCN(c4ncnc(N)c4OC(C)C)CC3)[nH+]2)ccc1Cl,-8.554
MOL_02_032925,Nc1ccc2nc(-n3cnc(C[NH3+])c3C[NH3+])ccc2c1,-8.545
MOL_01_030301,CCCc1cc(C(=[NH2+])N[C@H](C)CCCc2cccnc2)ccc1-c1ccc(C[NH3+])c(C[NH3+])c1,-8.544
MOL_02_031415,C[NH2+]C[C@@H]1CCCCN1c1cc(C)cc2ncnn12,-8.541
MOL_02_000412,COc1ccc(N(C[C@H](O)[NH2+]Cc2ccccc2)[C@H](O)CC[C@H](O)Nc2cc(C)cc[nH+]2)c(OC)c1,-8.541
MOL_02_009158,[NH3+][C@H](Cc1ccccc1)[C@H]([O-])[NH+]1CCN(c2ncnc3ccccc23)CC1,-8.54
MOL_02_003406,[NH3+]Cc1cc(C(O)(O)Nc2ccc(Cl)cn2)ccc1Oc1ccc(-n2ccnc2)cc1,-8.539
MOL_02_008648,COc1cc(OC)cc([C@H](C[C@H]([NH3+])O)N2[C@H](O)c3ccccc3[C@@H]2O)c1,-8.535
MOL_02_009431,O=c1cc(N2CCOCC2)nc(C[C@H](O)Nc2cc(Cl)cc(Cl)c2)[nH]1,-8.534
MOL_02_010029,Cc1ccc([C@H](C[NH3+])[C@H]([O-])[NH+]2CCN(c3ncnc4c3[C@@H](C)C[C@H]4O)CC2)cc1,-8.534
MOL_02_028077,C[C@@H]1C[C@@H](O)c2ncnc(N3CC[NH+]([C@H]([O-])[C@H]([NH3+])Cc4ccc(Cl)c(Cl)c4)CC3)c21,-8.533
MOL_02_012318,[NH3+]Cc1cccc(-c2cc(-n3c4ccccc4c4ccc(C[NH3+])cc43)ncc2-n2c3ccccc3c3ccc(C[NH3+])cc32)c1,-8.532
MOL_01_030585,CC(C)C[C@@H](C(=[NH2+])NCC[NH3+])c1cccc(-c2ccc(-c3ccncc3)cc2)c1,-8.531
MOL_02_031950,O=c1cc(N2CCC([NH2+]C[C@H](O)N[C@@H]3CCOc4ccccc43)CC2)nc[nH]1,-8.531
MOL_02_026248,Cc1cn2cc/c(=[NH+]/c3nc(NC4CCN(c5ccc(C[NH3+])nn5)CC4)c(C)c[nH+]3)cc2[nH]1,-8.53
MOL_01_028336,[NH2+]=C(C[C@H]1C[NH2+]CCN1)N[C@H]1CC[C@@H](CC[NH+]2CCC(c3cccc4c3CCN4)CC2)CC1,-8.529
MOL_02_008091,[O-][C@@H]1[NH2+][C@@H](O)C(CCCc2ccncc2)(CCCc2ccncc2)[NH2+]1,-8.528
MOL_01_031345,CC[C@](CCCCC(c1ccccc1)c1ccccc1)(c1ccc(C[NH3+])c(C[NH3+])c1)[C@@H](N)[NH3+],-8.528
MOL_02_012801,Nc1ncnc2c1ncn2-c1ccc(C[NH3+])cc1,-8.526
MOL_02_025965,N[C@@H]([NH3+])c1c(-n2ccc3ccccc32)ccc(-n2ccc3ccccc32)c1[C@@H](N)[NH3+],-8.522
MOL_01_029720,O[C@H](NCCCc1ccc(C(F)(F)F)cn1)c1cccc2ncccc12,-8.52
MOL_02_036246,CCc1nc2cnccc2n1-c1cccc(C[NH3+])c1,-8.519
MOL_02_009714,CCc1cccc(N[C@H](O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)c1,-8.518
MOL_01_029688,[NH3+][C@H](CCc1ncnc2ccccc12)c1ccc(Cl)cc1,-8.515
MOL_02_009211,COc1cccc(N[C@H](O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)c1,-8.515
MOL_02_009138,O=c1cc(N2CCOCC2)nc(C[C@H](O)N2CCc3c(O)cccc32)[nH]1,-8.513
MOL_02_004298,Cc1cc(C)c(Oc2cc(Nc3ccc(C[NH3+])cc3)[nH+]cc2[C@H](O)NCc2cn(Cc3ccccc3C)nn2)c(C)c1,-8.513
MOL_02_019558,CCc1cnc(N2CCC(c3ncn4c(Nc5ccc(-n6cncn6)nc5C)nccc34)CC2)nc1,-8.511
MOL_02_026087,[NH3+]Cc1cccnc1N1CC[NH+](CCCn2c(=O)[nH]c3ccccc32)CC1,-8.511
MOL_02_009972,Nc1ncnc(N2CCC(c3[nH+]c(-c4ccc(Cl)c(C(Cl)(Cl)Cl)c4)cn3CC[NH2+]C3CCCC3)CC2)c1[C@H]([NH3+])[O-],-8.509
MOL_02_009932,CC(O)(O)c1cccc(-c2cn(CC[NH+]3CCC3)c(C3CCN(c4ncnc(N)c4C[NH3+])CC3)n2)c1,-8.508
MOL_02_000173,COc1cc(C[C@H](O)[NH2+]C2CCN(Cc3ccccc3)CC2)cc(OC)c1OC,-8.507
MOL_02_035404,CNc1nc(-c2ccc(C[NH+]3CCC(n4c(=O)[nH]c5ccccc54)CC3)cc2)c(-c2ccccc2)cc1[C@@H](N)[NH3+],-8.507
MOL_01_026903,[NH3+]Cc1ccc(CC[NH2+]CC[C@@H]2CNc3ccccc3C2)cc1C[NH3+],-8.506
MOL_02_031139,COc1ccc([C@H](N[C@H](O)c2ccc3cnccc3c2)C2CC[NH2+]CC2)cc1Cl,-8.506
MOL_01_025638,C[C@@H](NC(=[NH2+])[C@@H](Cc1ccccc1)/[NH+]=C(\N)c1cc2cc(Cl)ccc2n1C)C(N)=O,-8.502
MOL_01_027767,[NH3+]Cc1ccc(Cl)cc1N[C@H]([NH3+])Nc1cc(Cl)nc2ccccc12,-8.5
MOL_02_031871,[NH3+]CCC1CCN(c2cc3n[nH]c(=O)n3cn2)CC1,-8.496
MOL_01_028441,CC1(C)CC[C@H](CC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c2cc(C[NH3+])c(C[NH3+])cc21,-8.494
MOL_02_009712,Cc1noc(C)c1C(O)(O)NC[C@H](O)C[N@H+]1CCC[C@@]2(CCN(c3ncnc(N)c3C3CC3)C2)C1,-8.494
MOL_02_022534,O[C@H](NCCc1nnc2n1CCCCC2)[NH+]1CCN(c2ccccc2)CC1,-8.492
MOL_02_016016,Nc1[nH]c2nc(-c3ccccc3)c(-c3ccc(C[NH+]4CCC(n5c(=O)[nH]c6ccccc65)CC4)cc3)nc2c(=O)[nH+]1,-8.491
MOL_02_012792,CCc1c(N)ncnc1N1CCC(c2nc(-c3ccnc(C(Cl)(Cl)Cl)c3)cn2CC[NH+](C)C)CC1,-8.49
MOL_02_036865,[O-][C@@H]1[N@@H+](Cc2ccccn2)C[C@H]2CN(Cc3ccnc4ccccc34)CC[N@H+]21,-8.486
MOL_01_030689,CCCCCc1c(C)cccc1[C@H]([NH3+])NC1([C@H](C)[NH3+])Cc2ccccc2C1,-8.483
MOL_02_031746,O[C@H]([NH2+]C1CC1)N1CCn2nc(-c3ccc(Cl)cc3)c(-c3ccc4nc(NCc5ccnc(Cl)c5)cn4n3)c2C1,-8.482
MOL_02_009090,O=c1cc(N2CCOCC2)nc(C[C@H](O)Nc2ccc(Cl)cc2)[nH]1,-8.482
MOL_02_001281,[O-][C@@H]1[NH2+][C@H](O)[C@@H](Nc2cccc(C(O)O)c2)[C@@H]1c1ccccc1N(O)O,-8.481
MOL_02_029376,[NH3+][C@@H]1CCCN(c2ncnc3c2CCC3)C1,-8.48
MOL_02_008417,CN(C)c1ccc(C[NH2+][C@H](O)Nc2cccc3cnccc23)cc1,-8.478
MOL_02_001027,Cc1cc(C[C@@H]2C[C@@H]([NH3+])N(c3ccccc3)[C@H]2O)ccc1O,-8.477
MOL_02_024931,[NH3+]CCCn1c(-c2cccc(C[NH+]3CCN(c4ccccc4)CC3)c2)nc2ccccc21,-8.473
MOL_02_019088,[NH3+]Cc1ccc(N2CCC[C@@H]([NH2+]Cc3cnc4cnccn34)C2)c(Cl)c1,-8.469
MOL_02_009323,CCc1c(N)ncnc1N1CCC(c2nc(-c3cccc(C)c3)cn2CC[NH+]2CCC2)CC1,-8.465
MOL_01_025668,[NH3+]Cc1cc2c(c(C[NH3+])c1C[NH3+])[C@@H](c1cc(-c3ccccc3)ccc1F)N[C@H]([NH3+])N2,-8.462
MOL_02_000089,CC(C)(C)[NH2+][C@H]([O-])[C@@H]1CN(Cc2cccnc2)CC[N@H+]1C[C@H](O)C[C@H](Cc1ccccc1)[C@H](O)N[C@@H]1c2ccccc2C[C@H]1O,-8.46
MOL_01_032846,[NH3+]Cc1cc(NCc2ccc3ccccc3[nH+]2)cc(C[NH3+])c1C[NH3+],-8.457
MOL_01_029048,[NH3+]Cc1ccc(Cl)cc1NCc1ccc2c(c1)NC(=O)CCC2,-8.456
MOL_01_031054,CC(C)(C)c1cccc([C@H]([NH3+])Nc2cccc(Nc3cc[nH+]c(N[C@H]([NH3+])C4CC4)c3)c2)c1,-8.454
MOL_02_009668,Nc1ncnc(N2CCC(c3nc(-c4cc[nH]c(=O)c4)cn3CC[NH+]3CCC3)CC2)c1C[NH3+],-8.454
MOL_02_009716,Cc1ccc([C@@H]2C[C@@H](C[C@H]([NH3+])O)[NH2+]C[C@H]2N[C@H](O)c2cc(-c3c(C)cnn3C)c(C)o2)cc1C,-8.453
MOL_01_031147,[NH2+]=C(N[C@H](Cc1ccccc1)C(=[NH2+])Nc1ccc(F)cc1)C1CC[NH2+]CC1,-8.449
MOL_02_009966,Cc1ccc(C[C@H]([NH3+])[C@H]([O-])[NH+]2CCN(c3ncnc4ccc(C)cc34)CC2)cc1,-8.448
MOL_02_030865,Cc1nc(N2CCOCC2)ccc1Nc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1,-8.445
MOL_02_012503,Cc1nc2cnccc2n1-c1cccc(C[NH3+])c1,-8.444
MOL_01_032184,CCc1ccc2c([C@H]([NH3+])N(C)C[C@@H](N)[NH3+])c(CCC(F)(F)F)ccc2c1C(F)(F)F,-8.444
MOL_02_017716,Nc1ncnc(N2CCC(c3[nH+]c(-c4ccc(Cl)c(C(Cl)(Cl)Cl)c4)cn3CCC[NH3+])CC2)c1N,-8.443
MOL_02_008474,Cc1ccc([C@H](O)Nc2ccc(Nc3nc(N4CC([NH3+])C4)nc(N4C[C@H]([NH3+])C[C@H]([NH3+])C4)n3)cc2O)cc1,-8.442
MOL_02_029936,c1ccc2c(c1)Cc1nccc(-n3cnc(C4CC[NH2+]CC4)c3)c1-2,-8.442
MOL_02_034627,Cc1nc(C)nc(-c2cc(C[NH3+])ccc2-n2c3ccc(-c4cccc(C[NH3+])c4)cc3c3cc(-c4cccc(C[NH3+])c4)ccc32)n1,-8.442
MOL_02_012376,[NH3+]Cc1ccc2c(c1)c1ccccc1n2-c1cc(-c2ccccc2C[NH3+])cc(-n2c3ccccc3c3ccccc32)n1,-8.441
MOL_02_015853,CCc1c(N)ncnc1N1CCn2cc[nH+]c2C1,-8.441
MOL_02_009034,Cc1ccc([C@@H]2CC[NH2+]C[C@H]2N[C@H](O)c2ccc(-c3c(Cl)cnn3C)o2)cc1,-8.44
MOL_02_000435,C[NH2+][C@H](N[C@H]([NH3+])O)N[C@@H]1CCCc2cc(C)cnc21,-8.439
MOL_02_026041,Cn1ncc2c(N3CCC([NH2+]CCCc4ccncc4)CC3)nc(N3CC[NH+](C)CC3)nc21,-8.438
MOL_01_029560,CC(C)c1c(CCCc2cccnc2ON)c([C@@H](N)[NH3+])nn1C,-8.437
MOL_02_033192,C[C@H](O)Nc1nc(-c2ccc(C[NH+]3CCC(n4c(=O)[nH]c5ccccc54)CC3)cc2)c(-c2ccccc2)cc1C[NH3+],-8.436
MOL_01_030653,[NH3+][C@H](Nc1cccc(-c2ccccc2)c1)N[C@@H]([NH3+])c1ccc2nccnc2c1,-8.435
MOL_02_012739,Nc1ncccc1-c1cncn1-c1ccccc1C[NH3+],-8.435
MOL_02_005809,OC[C@@H]1O[C@@H](C[C@H](O)[NH2+]Cc2ccccc2)CC[C@H]1[NH2+][C@H](O)Nc1ccc2c(c1)OCO2,-8.434
MOL_02_016394,[NH3+]Cc1cnc(Nc2cnn(CCO)c2)nc1NCc1cccc(N2CC[NH2+]CC2)c1,-8.433
MOL_02_030773,C[NH2+][C@H](NCc1nccc2ccccc12)N1CCN(c2cnn(C)c2)[C@@H](O)C1,-8.433
MOL_02_030749,[O-][C@H]1N(C[C@@H](O)[NH2+]CCc2ccccc2)c2c(cnn2-c2ccccc2)[C@H]2[NH2+]CC[N@H+]21,-8.427
MOL_02_007294,Cc1ccc(CNC[C@H]([NH2+][C@H](O)CN[C@H](O)c2cccc(C(Cl)(Cl)Cl)c2)[C@H](O)NCc2ccccc2)c(C)c1,-8.423
MOL_01_027983,CN(Cc1cc(=O)n2cccc2[nH]1)C[C@H](O)Nc1ccc(Cl)c(C(F)(F)F)c1,-8.423
MOL_02_014901,Cc1cc(-n2cc([C@@H]3CC[C@H]4CN(c5nccnc5C[NH3+])CC[N@H+]43)nn2)ccn1,-8.422
MOL_02_020022,[O-][C@@H]1[N@@H+]2CCC[C@@H]2C[N@@H+]1C1CCN(Cc2cccnc2)CC1,-8.418
MOL_02_009274,CC(O)(O)c1cccc(-c2cn(CC[NH+]3CCC3)c(C3CCN(c4ncnc(N)c4[C@H](N)O)CC3)[nH+]2)c1,-8.416
MOL_02_011584,[NH3+]Cc1cccnc1N1CCC[C@@H](Cc2nnc3ccccn23)C1,-8.416
MOL_02_019919,O[C@H](Nc1ccc2c(c1)CCCO2)[N@@H+]1CC[C@@H](Nc2ccc3nccn3n2)C1,-8.416
MOL_02_030775,O=c1[nH]nc2ccc(N3CC[NH+](CCO)CC3)nn12,-8.416
MOL_02_007251,Cc1cccc(N[C@H](O)c2cc(C[NH3+])ccc2CO[C@H](c2ccc(C[NH3+])cc2)c2cncn2C)c1,-8.415
MOL_02_034424,[NH3+]Cc1cccc(-c2cc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)c2)c1C[NH3+],-8.411
MOL_02_017849,Nc1[nH+]ccc(N2CCC(c3[nH+]c(-c4ccc(Cl)c(C(Cl)(Cl)Cl)c4)cn3CC[NH+]3CCCC3)CC2)c1-c1ccc(C(O)O)cc1,-8.41
MOL_02_008746,CC[C@H]([NH2+][C@H]([O-])[C@H](CC(C)C)N[C@H](O)OCc1ccccc1)[C@H](O)[C@H](O)NCCCn1cnc2c(N)ncnc21,-8.41
MOL_01_031137,CCc1ccc(CC)c(N2C[C@H]([NH3+])[C@@H]2O)c1,-8.409
MOL_02_001389,COc1cc(N[C@H]([NH3+])NC[NH3+])ccc1-c1cnco1,-8.409
MOL_02_034194,C[NH2+][C@H](NCCCc1nnc2ccccn12)N[C@@H]1CCCN(c2cc(C)ccc2Cl)C1,-8.408
MOL_01_030537,COc1ccc2cccc(CCNC(=[NH2+])C3CN(C(=[NH2+])c4ccncc4Cl)C3)c2c1,-8.407
MOL_02_000741,CO[C@H](O)[C@@H]1[C@@H](C)[NH2+][C@@H](C)N(CCCCC[NH+]2CCC(c3ccccc3C(Cl)(Cl)Cl)CC2)[C@H]1c1ccc(Cl)c(Cl)c1,-8.407
MOL_02_007571,C[C@H](O)O[C@H](C[C@@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1O)C(O)(O)O,-8.407
MOL_01_032652,O[C@@H](Nc1ccncn1)c1cc(Cc2cccnc2)cc[nH+]1,-8.405
MOL_02_033066,[NH3+]Cc1ncn(-c2ccc3ccccc3n2)c1C[NH3+],-8.404
MOL_02_029762,[NH3+]Cc1ccc(-n2cnc3c2CCCC3)c(C[NH3+])c1,-8.404
MOL_02_004869,CC1(C)[NH2+][C@@H]([O-])[C@@H](Cc2ccc(O)cc2)[NH2+]1,-8.403
MOL_02_018957,[NH3+]Cc1ccc2c(c1)c1ccccc1n2-c1cc(-c2ccccc2C[NH3+])cc(-n2c3ccccc3c3cc[nH+]cc32)c1,-8.403
MOL_01_011591,[NH3+][C@H](O)[C@@H](Cc1ccccc1)Nc1cc(=O)c2ccccc2[nH]1,-8.401
MOL_01_024829,CCOc1ccccc1C[C@H]([NH3+])C[n+]1ncc2c([nH]c3ccccc32)c1N,-8.401
MOL_02_008696,Cc1cnc([C@H](O)N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)cn1,-8.401
MOL_02_025276,Nc1cnc2c(c1)N(CC[NH2+]CCCn1ccnc1)CCN2CC[NH2+]CCCn1cc[nH+]c1,-8.4
MOL_02_016953,Cc1ccc([C@H](CC(C)(C)[NH3+])[C@H]([O-])[NH+]2CCN(c3ncnc4c3[C@@H](C)OC4)CC2)cc1Cl,-8.399
MOL_02_024341,Cn1nccc1-c1ccc([C@H](O)N[C@@H]2C[NH2+]CC[C@H]2c2c(Cl)c(Cl)cc(Cl)c2Cl)c(Cl)c1,-8.399
MOL_02_000429,[NH3+]CN[C@H](NC(O)(O)c1ccccc1)c1ccccc1,-8.398
MOL_02_009554,C[NH+]1CC(Cn2cc(-c3ccc(Cl)c(C(Cl)(Cl)Cl)c3)[nH+]c2C2CCN(c3ncnc(N)c3[C@H]([NH3+])[O-])CC2)C1,-8.397
MOL_01_030438,[NH2+]=C(C[C@@H]([NH3+])Cc1cc(F)c(F)cc1F)N1CCN(C(=[NH2+])c2ccccc2)CC1,-8.396
MOL_02_009506,Cc1cc([C@@H]2CC[NH2+]C[C@H]2Nc2ccc([C@H](N)O)c3ncncc23)ccc1Cl,-8.396
MOL_01_029831,[NH3+]Cc1cc(NCc2ccc([C@H]([NH3+])O)cc2)ccc1Cc1ccc(Cl)c(C(F)(F)F)c1,-8.395
MOL_02_011260,O=c1[nH]c2ccccc2n1CCCCC[NH+]1CCN(c2cc[nH+]cc2)CC1,-8.394
MOL_02_033338,O[C@@H]1C[C@@H](C[NH+]2CCC(c3nnc4ccc(-n5cccn5)nn34)CC2)C[NH2+]1,-8.393
MOL_02_035482,Cc1ccccc1C[NH2+][C@@H]1CC[C@H]2Cn3nc(N4CCOCC4)nc3N[C@H]21,-8.393
MOL_02_009337,C[NH+](C)CCn1cc(-c2ccc(Cl)c(C(Cl)(Cl)Cl)c2)[nH+]c1C1CCN(c2ncnc(N)c2-c2ccc(C(O)O)cc2)CC1,-8.39
MOL_02_030846,O[C@H](CC[C@H](O)c1cc[nH+]c(NC2CCC2)c1)C[N@H+]1CCc2nc(OCc3cnco3)ccc2C1,-8.39
MOL_02_035590,Nc1cc(N2C[C@@H](O)C[C@H]2C[NH2+]Cc2cnn3c2CCC3)ncn1,-8.389
MOL_01_031302,NC1=[N+](CC(=[NH2+])NCc2ccccc2)CCCN1Cc1ccc(F)cc1Cl,-8.388
MOL_01_027052,NN(O)c1[nH+]c2ccccc2n1C[C@@H]([NH3+])[C@@H](C[NH3+])Cc1ccccc1,-8.388
MOL_01_028827,[NH2+]=C(NCCC[NH+]1CCN(c2ccccc2F)CC1)[C@H]1CCc2ccc(C[NH3+])cc2C1,-8.388
MOL_01_026783,COc1ccc(-c2nc(CCCc3ccccc3)nc(N)c2C[NH3+])cc1,-8.386
MOL_01_032789,Cc1ncc(Cc2cc(CC[NH3+])c(O)c(CC[NH3+])c2)c(C)n1,-8.386
MOL_02_015657,O[C@H](CN1CCN(c2ncccn2)CC1)[NH2+]CCCc1nnc2ccccn12,-8.386
MOL_02_026757,Cn1cnc2cnc(N3CC[C@@H]([NH3+])C3)nc21,-8.386
MOL_01_030938,Nc1cc2ccc(Cl)cc2n1[C@H]([NH3+])NCc1cccc(CO)c1,-8.385
MOL_02_032259,[NH3+]Cc1ccc(Nc2ccc3c(c2)[C@@H](O)N([C@@H]2CC[C@@H](O)[NH2+]C2)C3)nn1,-8.385
MOL_02_035410,Cn1ncc2c(N)nc(NCC[N@@H+]3CCCC[C@H]3CO)nc21,-8.384
MOL_02_019778,Oc1cccc2c1CCN2[C@H](O)C[C@@H]1C[C@@H](O)C[C@@H]([NH+]2CCOCC2)N1,-8.384
MOL_02_019750,O[C@H](C[NH+]1CCN(c2nnnn2-c2ccccc2)CC1)NCCc1cccc2cccnc12,-8.384
MOL_02_006887,C[C@H](CCc1c(O)ccc([C@H](O)CCc2ccc(O)cc2)c1O)CO[C@H](O)CCc1ccc(O)cc1,-8.382
MOL_02_009102,[O-][C@H]([NH2+][C@H](c1ccccc1)C1CC[NH2+]CC1)c1ccc2cnccc2c1,-8.382
MOL_01_028689,CC(=O)N(C)c1ccc(CNc2ccc(Oc3ccc(Cl)c(C(F)(F)F)c3)c(C[NH3+])c2)cc1,-8.379
MOL_01_031843,O[C@H](NNCc1cccc2cccnc12)[NH2+]Cc1ccc(Cl)cc1,-8.379
MOL_02_009022,O=c1cc(N2CCOCC2)nc(C[C@H](O)Nc2ccc(Cl)cn2)[nH]1,-8.379
MOL_02_013816,C[C@@H]1C[C@@H](O)c2ncnc(N3CC[NH+]([C@H]([O-])[C@H](CC[NH2+]CC4CC4)c4ccc(C(Cl)(Cl)Cl)cc4Cl)CC3)c21,-8.379
MOL_02_031468,c1cnc2nc(N3CCOCC3)nc(N3CCc4[nH+]cc(N5CCCn6nccc65)cc4C3)c2c1,-8.379
MOL_02_009703,CCc1c(N)ncnc1N1CCC(c2nc(-c3cccc(C(Cl)(Cl)Cl)n3)cn2CC[NH+]2CCC2)CC1,-8.378
MOL_01_026179,CC(=O)c1cn(C2NN2)c2cc([C@H]3C[C@H]([NH3+])C[C@H]([NH3+])C3)ccc2c1=O,-8.378
MOL_02_034402,c1cnc(N2CC[NH+](CCCCn3cnc4ccccc43)CC2)nc1,-8.377
MOL_01_032082,CCCCCC[C@@H](NC(=[NH2+])[C@H]1CCC(N)=[NH+]1)C(=[NH2+])Nc1cccc(C(F)(F)F)c1,-8.376
MOL_01_030576,CCN[C@H]([NH3+])CCc1ccc(Cl)cc1C[C@H]([NH3+])c1cc2cc(CCl)ccc2cc1N,-8.375
MOL_01_027354,C=C1[C@@H](C)[C@H](c2cc(C[NH3+])c(C[NH3+])c(C[NH3+])c2)N1c1ccc(C[NH3+])c(C)c1,-8.374
MOL_02_002237,Oc1ccc(C[C@@H](O)[NH2+]CCCC[NH2+][C@@H](O)Cc2ccc(O)c(O)c2)cc1O,-8.374
MOL_01_031980,C[C@@H](CC[NH3+])[NH2+][C@H](O)CCc1nncc2ccccc12,-8.373
MOL_02_009963,COc1cc(C[C@H]([NH3+])[C@H]([O-])[NH+]2CCN(c3ncnc4ccccc34)CC2)cc(OC)c1,-8.372
MOL_02_018819,Cc1c(C)n(-c2cccc(C[NH3+])c2)c2ncnc(N)c12,-8.371
MOL_02_002011,Cc1ccc2c(c1)CCN2C(O)(O)c1ccc([C@H](O)Nc2ccc(C[NH3+])cc2C(O)O)cc1,-8.371
MOL_02_001255,Cc1ccc(NN[C@H]([C@H](O)N[NH3+])C(O)(O)c2ccc(C)cc2)cc1,-8.37
MOL_01_027206,CNc1cccc2cc([C@H]([NH3+])C[C@](N)([NH3+])c3ccc(C(C)(C)C)cc3)c(N)nc12,-8.369
MOL_02_009396,C[NH+](C)CCn1cc(-c2ccc(Cl)c(C(Cl)(Cl)Cl)c2)[nH+]c1C1CCN(c2ncnc(N)c2-c2ccc(C(C)(C)O)cc2)CC1,-8.369
MOL_01_026723,[NH3+]Cc1ccc(CC[NH2+]CC[C@@H]2Cc3ccccc3N(Cc3ccc(C[NH3+])c(C[NH3+])c3)C2)cc1C[NH3+],-8.368
MOL_02_012388,[NH3+]Cc1ccc2c3ccccc3n(-c3cc(-c4ccccc4C[NH3+])c(-n4c5ccccc5c5ccc(C[NH3+])cc54)cn3)c2c1,-8.368
MOL_02_000730,[NH3+]Cc1ccc(-c2ccc(OC[C@H](O)NNCc3ccncc3)cc2)cc1,-8.367
MOL_02_019820,Cn1nc2c(c1-c1ccccc1)-c1nc(N[C@H]([NH3+])CC[NH2+]CCN3CC[NH+](CCO)CC3)ncc1CC2,-8.367
MOL_02_011624,[NH3+]Cc1ccncc1N1CCC[C@@H](Cc2nnc3ccccn23)C1,-8.366
MOL_02_004163,CCOc1cccc(N2CCC(CC[NH3+])(n3cc([C@H]([NH3+])[O-])c(Nc4ccc(Cl)cc4)n3)CC2)n1,-8.365
MOL_02_030515,OCCN(C[C@@H]1CCC[NH2+]1)c1nccn2nccc12,-8.364
MOL_02_013565,O=c1[nH]c2ccccc2n1CCCCC[NH+]1CCN(c2ncncn2)CC1,-8.364
MOL_02_005074,Cc1ccccc1CN[C@H]([NH3+])N[C@@H](N)[NH3+],-8.362
MOL_02_036401,Nc1ncnc(N2CCC(c3[nH+]c(-c4ccc(Cl)c(Cl)c4)cn3CCCCC3CCCC3)CC2)c1C[NH3+],-8.362
MOL_01_026132,C[C@H]1C[C@H](C)CN(c2cnnc3c(C[NH3+])c(C[NH3+])c(C[NH3+])cc23)C1,-8.361
MOL_01_031813,[NH3+]Cc1ccccc1CN[C@H]([NH3+])[C@@H]1CCc2cnccc2C1,-8.361
MOL_02_018956,[NH3+]Cc1cccc(-c2cc(-n3c4ccccc4c4cc(C[NH3+])ccc43)nc(-n3c4ccccc4c4ccncc43)c2)c1,-8.36
MOL_02_018392,[NH3+]Cc1nc2n(n1)CCCN2Cc1ccc2c(c1)CN([C@@H]1CC[C@@H](O)[NH2+][C@H]1O)[C@H]2O,-8.36
MOL_02_025975,C[C@H]([NH3+])c1ccc(-n2cnc3c(N)ncnc32)cc1,-8.36
MOL_02_001520,[O-][C@@H]1[C@H](CCc2ccccc2)[NH2+][C@H]([O-])[N@H+]1C[C@@H](O)Nc1ccc(Cl)c(Cl)c1Cl,-8.36
MOL_02_003456,CC(C)C[C@H]([NH2+][C@H](O)NCc1ccc(Cl)cc1)[C@H](O)NO,-8.36
MOL_02_005624,Cc1ccc([C@H]([O-])[N@@H+]2CCC[C@H]2[C@H]([O-])[NH+]2CCC([C@H](O)[NH2+]CCc3ccncc3)CC2)cc1,-8.359
MOL_02_032985,[NH3+]Cc1ncn(-c2cc(C[NH3+])c3ccccc3n2)c1C[NH3+],-8.359
MOL_02_033130,CC(C)[NH2+]C[C@H](c1ccc(C(Cl)(Cl)Cl)cc1Cl)[C@H]([O-])[NH+]1CCN(c2ncnc3c2[C@@H](C)C[C@H]3O)CC1,-8.359
MOL_01_031675,[NH3+]C[C@H](N[C@H](O)CCCCc1cccnc1)c1ccc(F)cc1F,-8.357
MOL_01_030060,N[C@@]1([NH3+])Cc2ccccc2[C@H](C[C@@H]([NH3+])Cc2cccc(C[NH3+])c2)N1,-8.356
MOL_02_017106,Nc1ncccc1-c1cncn1[C@@H]1CC[N@H+]2CCC[C@@H]12,-8.355
MOL_02_011382,O=c1[nH]ccn1[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21,-8.354
MOL_01_025932,Cc1ccc(C2=Nc3ccccc3[N+](CC(=[NH2+])Nc3ccc(C[NH3+])c(C[NH3+])c3)=C(N)C2)cc1C,-8.353
MOL_02_001365,Cc1ccn2ncc(-c3ccn(C(O)(O)c4cc(N(O)O)ccc4C)n3)c2n1,-8.353
MOL_02_026389,[NH3+]CCN1CCN(c2ccc(-c3cnc4ccc(CO)nn34)cc2)CC1,-8.352
MOL_01_030951,CCc1ccccc1CCC[N@H+]1C[C@H](NC[NH3+])[C@@H](C(C)C)C1,-8.35
MOL_02_035890,O=c1[nH]c(C[C@@H]2c3cc(Cl)c(N4CCOCC4)cc3N[C@H]2O)nc2cc(NCCC[NH+]3CCCC3)c(Cl)cc12,-8.349
MOL_02_023123,CN(Cc1[nH+]ccn1Cc1ccccc1)c1nc2c(cc1C[NH3+])CCCC2,-8.347
MOL_01_025261,N[C@@H]([NH3+])c1cccc(-c2ccnc3c2C[C@](N)([C@H]([NH3+])CCC2CCCCC2)C3)c1,-8.346
MOL_02_029775,[NH3+]C1CCN(c2cccc3nccn23)CC1,-8.346
MOL_02_033002,[NH3+]Cc1ncn(-c2cnc3ccccc3n2)c1C[NH3+],-8.346
MOL_02_009801,C[NH2+][C@H]([O-])C[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)[C@@H](N[C@H](O)c2cc(-c3c(C)cnn3C)c(C)o2)C[NH2+]1,-8.345
MOL_01_032657,CCc1cc(N)cc2c(CN[C@@H](Cc3ccccc3)[C@H](C)[NH3+])c(C)ccc12,-8.342
MOL_01_031965,CNc1cccc(NC)c1[C@H]([NH3+])CCc1cccc2ccccc12,-8.342
MOL_02_006326,C[C@@H]1[C@H]2Cc3ccccc3[C@@H]1N[C@@H](NC[NH3+])[NH2+]2,-8.341
MOL_01_028178,Cc1cc(-c2ccc(N[C@H]([NH3+])[C@H](C)c3cccc(F)n3)cc2C[NH3+])ccn1,-8.34
MOL_01_027147,Cc1nn(-c2ccccc2)c(C)c1[C@H]([NH3+])CC[C@H]([NH3+])Nc1ccc2c(c1)CCC2,-8.339
MOL_02_007667,CCO[C@H](O)[C@H](Cc1ccc(O)cc1)N[C@H](O)C1([NH2+][C@H](O)[C@H](C[C@H](O)COC)C(C)C)CCCC1,-8.339
MOL_01_025435,CCCc1ccccc1[N+]1=C(N)C[C@H](C(=[NH2+])N2CCc3ccccc3C2)C1,-8.338
MOL_02_009478,CCOc1c(N)ncnc1N1CCC(c2nc(-c3ccc(Cl)c(C)c3)cn2CC[NH+](CC)CC)CC1,-8.337
MOL_02_003237,CC[C@H](O)O[C@H]1[C@H](O)[C@H](n2cnc3c(=O)[nH]c(N)nc32)O[C@@H]1COC(O)(O)NC(O)(O)O,-8.336
MOL_01_032762,[NH3+]Cc1cc2c(cc1CCCC[NH+]1CCCCC1)C(=O)CC2,-8.334
MOL_02_024378,[NH3+][C@@H]1NCN(CCCCO)n2c(-c3ccncc3)ccc21,-8.332
MOL_02_000676,C[C@@H]1N(N[C@H](O)c2ccccc2)[C@@H](C[C@H]([NH3+])O)[C@@H](O)N1c1ccccc1,-8.332
MOL_02_024390,Cn1nccc1-c1ccc([C@H](O)N[C@@H]2C[NH2+]CC[C@H]2c2cccc(Cl)c2)c(Cl)c1,-8.33
MOL_02_005605,[NH3+][C@H](NO)NNCc1ccccc1Cl,-8.33
MOL_02_009213,Cc1ccc(-c2cn(CC[NH+]3CCC3)c(C3CCN(c4ncnc(N)c4C[NH3+])CC3)[nH+]2)cc1C,-8.33
MOL_02_009411,O=c1cc(N2CCOCC2)nc(C[C@H](O)Nc2ccc(Cl)c(C(Cl)Cl)c2)[nH]1,-8.329
MOL_01_029823,N[C@H](c1ccc(CCc2cccnc2)o1)[NH+]1CCC(c2cccc(C[NH3+])c2)CC1,-8.328
MOL_01_027522,NOCCn1c(CCc2ccc(ON)c(F)c2)nnc1-c1ccncc1,-8.327
MOL_02_000212,Cc1ccc(N2CC[NH+](C[C@H](O)COc3cccc4ccccc34)CC2)cc1C(N)(O)O,-8.327
MOL_01_031047,[NH3+][C@H](NCc1ccc(Cl)c(Cl)c1)C(=O)Nc1cccnc1,-8.323
MOL_02_035885,[NH3+]C[C@H](O)N1CCc2cccc(OC[C@@H]3CCCN3c3ccnc4ncnn34)c2C1,-8.321
MOL_02_021151,CC[C@H](CN[NH3+])[C@H](C)[N@H+]1CCC[C@@H](Nc2ccnc(-c3cnc4ccc(Cl)cn34)n2)C1,-8.321
MOL_02_004472,[NH3+][C@H](NNCc1c(O)cc(O)cc1O)c1ccncc1,-8.321
MOL_02_009684,CO[C@H](O)c1cc(Cl)ccc1N[C@H](O)Cc1nc(N2CCOCC2)cc(=O)[nH]1,-8.321
MOL_02_034193,Cc1nccn1-c1ccc(C[NH2+]Cc2cccc(C[NH3+])c2)cn1,-8.32
MOL_01_029815,Cc1cncc(CCc2ccc([N+]3=C(N)CC(C)(C)C3)nc2)c1,-8.319
MOL_01_029819,CCc1ccc2c(CC)ccc([C@H]([NH3+])C[C@H]([C@@H](N)[NH3+])C3(C)CC3)c2c1,-8.319
MOL_02_005885,OC(O)c1ccc(N[C@@H](O)c2cccc([C@@H](O)Nc3ccc(C(O)O)cc3)[nH+]2)cc1,-8.319
MOL_02_019620,CC[NH2+][C@H](NCCc1nnc2ccccn12)NCc1ccc(N2CCC[C@H]2O)cc1,-8.318
MOL_02_009568,Cc1ccc([C@@H]2CC[NH2+]C[C@H]2N[C@H](O)c2ccc(-c3c(C)cnn3C)o2)cc1,-8.318
MOL_02_036918,[NH3+][C@@H]1CCCN(c2cc(-c3cnc4ccc(C(Cl)Cl)nn34)ncn2)C1,-8.318
MOL_01_026820,Cc1ccc([C@H](C)C[NH2+]C(C)(C)Cc2cc(F)cc(F)c2)c2c1NC(=O)CC2,-8.317
MOL_01_025029,[NH3+]Cc1nc2nc(C(=O)c3ccccc3)cn2c2c1NN[C@H]([NH3+])N2,-8.317
MOL_02_004315,CC1(C)C[NH2+]c2c(cccc2C(O)(O)N[C@H](CCCN[C@@H](N)[NH3+])[C@H]([O-])[NH+]2CCC(CC(Cl)Cl)CC2)C1,-8.316
MOL_01_027613,Cc1cc(CC[C@H](O)Nc2ccccc2[C@H]([NH3+])O)c2c(C)cc(O)cc2c1,-8.315
MOL_02_011633,Nc1nccn2c([C@@H]3CC[NH2+]C3)nc(Cl)c12,-8.314
MOL_01_029508,NC(=[NH2+])c1ccc(Cc2ccc3c(c2)CC[N@@H+](CCCc2ccccc2)C3)nc1,-8.313
MOL_01_027183,O=C(N[C@@H](CO)Cc1ccc(O)cc1)c1cccnc1Cc1ccc(Nc2ccccn2)cc1,-8.309
MOL_01_027520,Nc1ccc2cccc(CC(=[NH2+])C[C@H]3CC(N)(N)Oc4cc(F)ccc43)c2c1,-8.305
MOL_01_032503,[NH3+]Cc1cc(CCC(=O)CCC(=O)Nc2c(F)cccc2F)cc(C[NH3+])c1C[NH3+],-8.305
MOL_02_023130,[NH3+]Cc1ccc(N2CCN(c3cncc4ncnn34)CC2)nc1,-8.303
MOL_01_029471,Cc1ccc([C@H](C)CC[C@H](C)N2[NH2+]NNN[NH2+]2)c2c1=NC(=O)C=2,-8.303
MOL_01_028556,CCc1[nH+]c(C)c(CC[C@H]([NH3+])CO)c2cc(CO)c(CO)cc12,-8.301
MOL_02_016342,CCn1cc[nH+]c1CN1CCN(c2ncnc3ccccc23)CC1,-8.301
MOL_02_027821,Nc1cc(N2CC[C@@H]([NH3+])C2)nc2c(CCCO)cnn12,-8.3
MOL_02_012239,Cc1ccc(-c2ccccc2C[NH+]2CCN(CCCn3cnc4ccccc43)CC2)cc1,-8.299
MOL_02_033053,[NH3+]Cc1ncn(-c2ccc3nccnc3n2)c1C[NH3+],-8.296
MOL_01_028012,COc1ccc(Cn2c[nH+]c([C@H](O)Nc3cc(OC)ccc3OC)c2N)cc1,-8.295
MOL_02_009313,O=c1cc(N2CCOCC2)nc(C[C@H](O)Nc2cc(Cl)c(Cl)c(Cl)c2)[nH]1,-8.295
MOL_02_030485,[NH3+]Cc1ccccc1C1CC[NH+]([C@H]([O-])[C@@H]2CCn3ncnc3C2)CC1,-8.295
MOL_02_030367,Cc1nc2ncnn2c(N2CCC[C@@H]([NH+](C)C)C2)c1C,-8.294
MOL_02_004731,C[NH2+][C@H]([O-])c1ccc(N[C@H](O)CN2c3cccc4cccc(c34)C2(O)O)cc1,-8.294
MOL_01_024897,Cc1cccc(N2CCN([C@H]([NH3+])c3cc4c(N)n(C)c5ccccc5c-4c3)C[C@@H]2C)c1,-8.294
MOL_02_009049,O=c1cc(N2CCOCC2)nc(C(Cl)(Cl)[C@H](O)Nc2ccc(Cl)cc2)[nH]1,-8.293
MOL_01_028528,COc1ccc(-c2cccc(CN[C@H](Cc3cccc(C[NH3+])c3)C(=[NH2+])N3CCC(CC[NH3+])CC3)c2)cc1,-8.292
MOL_02_005749,CCc1ccc([C@@H]2[C@@H](C[NH3+])[C@@H]([NH3+])C[C@@H]([NH3+])[C@H]2C[NH3+])cc1,-8.291
MOL_02_026848,Nc1ncc(C2CC[NH+]([C@H](O)CCCc3nn4cccc4c(=O)[nH]3)CC2)cc1C[NH3+],-8.291
MOL_02_030447,CCc1cc(N2CC[C@@H](CNc3ncccc3C[NH3+])C2)n2ncnc2n1,-8.291
MOL_01_031200,CCc1ccc2cccc(CC[NH2+][C@H](O)C3C[NH+]([C@H]([O-])c4cc(NC)cc(NC)c4)C3)c2c1,-8.29
MOL_01_027303,CN(C)C(=[NH2+])Cc1ccc(C[C@@H](Nc2ncncc2-c2ccncc2)C(N)=O)cc1,-8.289
MOL_02_001880,Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CC[C@@H](CC[NH3+])CCCCC[NH2+]CCC[NH3+])[C@H](O)[C@@H]1O,-8.289
MOL_01_031975,[NH3+]Cc1cccc(NCC[NH2+]CCN2[C@H]([NH3+])c3cccc4cccc(c34)[C@@H]2[NH3+])c1,-8.286
MOL_02_029528,[NH3+]Cc1cccc(-c2cc(-n3c4c(c5cccnc53)CCCC4)nc(-n3c4ccc(C[NH3+])cc4c4cc(C[NH3+])ccc43)c2)c1,-8.286
MOL_02_009790,O=c1cc(N2CCOCC2)nc(C[C@H](O)Nc2cccc(C3CC3)c2)[nH]1,-8.282
MOL_02_032223,O=c1cc(CCC[C@H](O)Nc2cccc(N3CCOCC3)c2)[nH]c2cccn12,-8.282
MOL_02_009009,CC(C)(C)c1cccc(N[C@H](O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)c1,-8.281
MOL_02_018317,[NH3+]Cc1ccc(-c2cc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)c2)c(C[NH3+])c1,-8.281
MOL_02_031694,Nc1ncc(-c2cnn(C3CC[NH2+]CC3)c2)nc1N(N)Cc1ccc2nccn2c1,-8.281
MOL_02_037411,[NH3+]C[C@H](c1nnc2n1CCCCC2)[C@H](O)C[NH+]1CCN(c2ccccn2)CC1,-8.28
MOL_02_012221,Cc1cc(Nc2ccc(N3CCC(O)CC3)c(C[NH3+])c2)n2ncnc2n1,-8.28
MOL_02_014940,Nc1c(C[NH3+])c([C@H](C[NH3+])Cc2cc3ccccc3nc2N2CCCCC2)nn1-c1ccccc1,-8.279
MOL_02_031128,Cc1ccc([C@H](CN2CC[NH2+]CC2)[C@H](O)[NH+]2CCN(c3ncnc4c3[C@@H](C)C[C@H]4O)CC2)cc1,-8.279
MOL_01_026045,C[N+]1=C(N)Cc2ccc(-c3ccc(C[C@H](C[NH3+])NC(=[NH2+])[C@]45CC[C@H](CC4)C[NH2+]5)cc3)cc21,-8.278
MOL_02_017237,Cc1nc2cnccc2n1-c1ccc(Cl)c(C[NH3+])c1,-8.277
MOL_02_018299,Cc1ccccc1[C@H](c1ccccc1)[NH+]1CCN(CCCn2cnc3ccccc32)CC1,-8.276
MOL_02_006516,O[C@H](NN1[C@H](Cc2ccc(N(O)O)o2)CCC[C@@H]1O)c1ccncc1,-8.275
MOL_02_008342,O[C@H](CCc1ccc2c(c1)OCO2)[NH2+]CCCC[N@@H+]1CCC[C@@H]2C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@H]21,-8.275
MOL_01_030434,Cc1cccc(CCC[C@H]([NH3+])N(C)C[C@H]([NH3+])Nc2cccc3ccccc23)c1,-8.274
MOL_01_032947,C[C@]([NH3+])(N[C@H]([NH3+])Nc1ccc(Cl)cc1)c1ccc2c(c1)CCC2,-8.272
MOL_02_017813,[NH3+]Cc1cccc(-c2cc(-n3c4ccccc4c4ncccc43)nc(-n3c4ccccc4c4ncccc43)c2)c1C[NH3+],-8.272
MOL_01_028550,NC1=[N+](c2cccc(F)c2)C[C@@]2(CC[N@H+](Cc3ccc(C[NH3+])cc3)C2)C1,-8.271
MOL_01_030097,N/C(=[NH+]\[C@@H](Cc1cccc(Cl)c1)C(=[NH2+])NCC[NH3+])c1cccc2c1CCCC2,-8.271
MOL_01_027356,CCCc1ccccc1N1CCN([C@H]([NH3+])c2cc3ccccc3cc2C[NH3+])CC1,-8.27
MOL_02_005121,N[C@H](O)c1cccc2c(N[C@@H](C[NH2+]N[NH3+])c3ccccc3)ncnc12,-8.268
MOL_02_035975,[NH3+]Cc1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1nc(C[NH3+])ccc1C[NH3+],-8.267
MOL_01_026851,NCc1c(N2CCC[C@@H](c3ccccc3)C2)cc[n+](CC[C@@H](N)[NH3+])c1N,-8.267
MOL_02_009338,Cn1nccc1-c1coc([C@H](O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(Cl)c(Cl)c2)c1,-8.266
MOL_01_025877,Cc1[nH+]ccn1CCCCNC(=[NH2+])c1ccc2nc3ccc(C(C)C)cc3c(N)[n+]2c1,-8.265
MOL_02_004823,Cc1ccc([C@H](C)N[C@H](O)C2([NH3+])CCN(c3ncnc(N)c3C)CC2)cc1,-8.263
MOL_02_030703,Cc1nc2ncnn2c(N2CCC[NH2+][C@@H](O)C2)c1C,-8.262
MOL_02_033500,[O-][C@@H]1c2ccccc2C[N@H+]1CCC[C@@H](O)Nc1ccc2ncnn2c1,-8.261
MOL_02_007050,Nc1c(C[NH3+])c([C@H](C[NH3+])Cc2ccc(-c3ccccc3N(O)O)o2)nn1-c1ccccc1,-8.261
MOL_01_025091,Nc1c2n(c3cc(O)ccc13)C[C@H](O)CN[C@@H]2O,-8.26
MOL_02_030752,[NH3+]Cc1cc(N2c3ccccc3C[N@@H+](CC3CCN(c4cccc5n[nH]c(=O)n45)CC3)[C@H]2[O-])ccn1,-8.26
MOL_02_009757,O=c1cc(N2CCOCC2)nc(C[C@H](O)Nc2ccc(Cl)c(OC(Cl)(Cl)Cl)c2)[nH]1,-8.259
MOL_02_018123,CC1CCN(c2cc(C[C@H](C[NH3+])c3nn(-c4ccccc4)c(N)c3C[NH3+])c3ccccc3[nH+]2)CC1,-8.259
MOL_02_032947,[NH3+]Cc1ncn(-c2nccc3ccccc23)c1C[NH3+],-8.259
MOL_01_032729,NC(N)([NH3+])c1ccc([C@H]([NH3+])Cc2ccc(Oc3cccnc3)nc2)cc1,-8.256
MOL_02_014291,COc1ccccc1N[C@H](O)[NH2+]C1CCN(c2ncnn3cccc23)CC1,-8.256
MOL_02_019403,[NH3+][C@H]1[C@@H]2CCC[C@H]1C[C@H]([C@H](O)[NH2+]Cc1cccnc1-n1ccnc1)C2,-8.256
MOL_02_024512,Nc1cc(-c2cc(Nc3ccc(N4CCOCC4)nn3)c3nccn3c2)ccc1C[NH3+],-8.254
MOL_02_007162,Cc1nn(C2CCCC2)c(C)c1C(O)(O)N[C@H](C)COc1cccc2cnccc12,-8.254
MOL_02_009646,Cc1cnn(C)c1-c1cc([C@H](O)N[C@@H]2C[NH2+][C@@H](CCO)C[C@H]2c2ccc(Cl)c(Cl)c2)oc1C,-8.253
MOL_02_032255,O[C@@H]1C[C@@H](C[C@H](O)N2CCc3c(N4CCOCC4)cccc32)N[C@@H]([NH+]2CCOCC2)C1,-8.253
MOL_02_009252,O=c1cc(N2CCOCC2)nc(C[C@H](O)Nc2ccc(Cl)c(C3CC3)c2)[nH]1,-8.252
MOL_02_036092,[NH3+]Cc1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1cc(C[NH3+])ncc1C[NH3+],-8.252
MOL_01_031322,[NH3+][C@@H](CN1Cc2ccccc2[C@@H]1[NH3+])NCCCCc1cccc(Cl)c1,-8.25
MOL_02_001415,Cn1cc(-c2ccc3c(c2)CC[NH2+][C@H]3NO)c(-c2ccncc2)n1,-8.249
MOL_02_004118,C[N@H+]1[C@@H](O)CC[C@]12CC[C@@H]([NH2+][C@H](O)NCc1cccnc1)CC2,-8.249
MOL_02_018228,Nc1ccc(-n2cnc3ccccc32)nc1C[NH3+],-8.248
MOL_01_028016,[NH3+]Cc1ccc(C[NH2+]CC2(c3cccc4cc(F)ccc34)CC2)cc1N1CC[NH2+]CC1,-8.248
MOL_01_033032,Nc1ccc([C@H]([NH3+])[C@H]2CN[C@]3(N[C@H](C4CCCCC4)N3)[NH2+]C2)cc1,-8.247
MOL_02_009399,Nc1nc(-c2ccc(C[NH+]3CCC(n4c(=O)[nH]c5ccccc54)CC3)cc2)c(-c2ccccc2)cc1C[NH3+],-8.246
MOL_02_032113,Nc1ccc2ncnc(N3CC[C@@H]([NH+]4CCCC4)C3)c2c1,-8.246
MOL_01_031591,[NH3+]CCCCN[C@H]([NH3+])CC[C@H]([NH3+])c1ccc(-c2ccccc2)cc1,-8.245
MOL_02_017446,Nc1ncccc1-c1cncn1-c1cccc(Cl)c1C[NH3+],-8.245
MOL_02_019520,CCc1cnc(N2CCC(c3ncc4c(Nc5ccc(-n6cncn6)nc5C)nccn34)CC2)nc1,-8.244
MOL_02_026252,Cc1ccc(N2CCC([NH2+]CCO)CC2)n2ncnc12,-8.244
MOL_01_030155,Cn1ccc2cc(C(=O)c3ccc(C[NH3+])c(C[NH3+])c3C[NH3+])ccc21,-8.243
MOL_02_016526,Nc1ncnc2c1c(-c1ccccc1)cn2[C@@H]1CC[NH2+]C1,-8.242
MOL_02_006004,N[C@@H]([NH3+])NCCN[C@H](O)[C@@H]1C[C@@H](OCc2ccc3ccccc3c2)C[N@H+]1[C@H]([O-])[C@H](Cc1ccccc1)N[C@H](O)C1CC[NH2+]CC1,-8.242
MOL_02_005056,O[C@H](CCN1[C@H](O)c2ccccc2[C@@H]1O)[NH2+]Cc1ccc(Cl)cc1,-8.241
MOL_02_000650,CCCN([NH2+][O-])[C@H](O)[NH2+]CCC[C@H]([NH2+][C@H](C)O)[C@H](O)NCc1ccccc1,-8.237
MOL_01_025374,[NH3+]Cc1cccc(-c2nnc3n2N=C(c2cc(C[NH3+])ccc2C[NH3+])CC3)c1,-8.236
MOL_02_006487,N[C@@H]([NH3+])Nc1ccc([C@H]([O-])[NH2+]CC[C@H](O)[NH2+][C@H](CC(O)O)[C@H]([O-])[NH2+][C@H](Cc2cccc3ccccc23)C(O)O)cc1,-8.234
MOL_02_009325,CCc1c(N)ncnc1N1CCC(c2[nH+]c(-c3cccc(C(Cl)(Cl)Cl)c3)cn2CC[NH+]2CCC2)CC1,-8.234
MOL_02_002219,CC1(c2ccc(Nc3nn([C@@H]4CC[C@@H](O)C[C@H]4C[NH3+])cc3[C@H]([NH3+])O)cc2)COC1,-8.233
MOL_02_023072,[NH3+]Cc1cnn([C@@H]2CCN(c3ncnc4c3CCC4)C2)c1,-8.233
MOL_01_029652,Cc1ccc([C@H]([NH3+])c2cc3c(cc2N[C@H]([NH3+])c2cccc(C[NH3+])c2)CCCC3)cc1,-8.233
MOL_02_026271,[NH3+]C[C@@H]1CN(CCCn2c(=O)[nH]c3ccccc32)CCN1c1cnccn1,-8.231
MOL_01_031851,[NH3+][C@H](Nc1ccc([C@H]([NH3+])N2CC[NH+](CC3CCCCC3)CC2)cc1)N1Cc2ccccc2C1,-8.231
MOL_01_030059,[NH3+]Cc1cc(CCc2ccc(C3=Cc4ccccc4C4=CCC[C@H]34)cc2)cc(C[NH3+])c1C[NH3+],-8.231
MOL_01_028463,[NH3+][C@@H]1c2ccccc2-c2cccc([C@@H]([NH3+])Nc3ccc(F)c(Cl)c3)c21,-8.23
MOL_02_013392,Cc1cc([C@H](C)[NH3+])cc(-n2cnc3cc(C)c(C)cc32)n1,-8.23
MOL_02_007046,N[C@@H]([NH3+])NCCC[C@H]([NH2+][C@H](O)C1CC1)[C@@H](O)N[C@@H](CCCC[NH3+])[C@H](O)N[C@H](c1ccc(OCc2ccccc2)cc1)[C@H]([NH3+])[O-],-8.229
MOL_02_009358,[NH3+]Cc1ccc(C[C@H]([NH3+])[C@H]([O-])[NH+]2CCN(c3ncnc4ccccc34)CC2)cc1,-8.229
MOL_02_006278,COc1ccc([C@H](O)N[C@@H]2CC[C@H]3[NH2+]CC[N@@H+]23)cc1,-8.227
MOL_02_032286,O[C@@H]1CN([C@@H](O)CC[C@@H](O)[NH2+]Cc2ccc(-n3cncn3)nc2)c2ccccc2N1,-8.227
MOL_02_031237,CCc1nc2n(n1)CCC[C@H]2N[C@H](O)c1cc(N2CCN[C@@H](O)C2)cc[nH+]1,-8.226
MOL_02_031852,[NH3+][C@H](Nc1cc[nH+]cc1)c1ccc(Cn2ccc3ncccc32)c(Cl)c1,-8.226
MOL_01_031958,[NH3+]Cc1ccc([C@H]([NH3+])NCc2cccc(-c3cccc(CN4CC[NH2+]CC4)c3)c2)cc1,-8.226
MOL_02_006523,CN(c1ccccc1)[C@H](O)CC[NH2+][C@H](O)c1ccc(C(C)(O)O)c(N(O)O)c1,-8.225
MOL_02_009688,CC[NH+](CC)C[C@@H]1CN([C@H](O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)c2ccccc21,-8.225
MOL_02_021798,[NH3+]Cc1cccnc1N1CCC[N@H+](Cc2cnn3c2CCC3)CC1,-8.223
MOL_02_009218,O=c1cc(N2CCOCC2)nc(C[C@H](O)Nc2cccc(Cl)c2Cl)[nH]1,-8.222
MOL_01_030939,CCNc1cc(C[C@H]([C@H]([NH3+])c2ccc(F)cc2)[C@](N)([NH3+])Cc2ccc(F)cc2)ccc1N,-8.221
MOL_02_001276,Nc1c(C[NH3+])c2[nH+]c3ccccc3nc2n1CC[NH2+][C@H](O)Nc1ccccc1,-8.221
MOL_02_029562,[NH3+]C1CC[NH+]([C@@H]2CCN(c3ncnc4c3CCC4)C2)CC1,-8.22
MOL_02_035058,Cn1cc(-c2cc(-c3ccc(N4CCN(Cc5[nH+]ccn5C)CC4)nc3)c3c(C[NH3+])cnn3c2)cn1,-8.218
MOL_02_009630,O=c1cc(N2CCOCC2)nc(C[C@H](O)Nc2ccccc2Cl)[nH]1,-8.218
MOL_01_026680,Nc1ccc(NC(=[NH2+])CC[n+]2c(N)c3cccn3c3ccccc32)c(N)c1,-8.218
MOL_01_026025,Nc1nc(CC[C@H]([NH3+])N[C@H](CO)Cc2ccccc2)nc2ccccc12,-8.218
MOL_02_004354,N[C@@H]([NH3+])NCCC[C@H]([NH3+])[C@H](O)Nc1ccc(N(O)O)cc1,-8.218
MOL_01_029025,[NH3+]Cc1ccc([C@H]([NH3+])[C@H]2CCC[N@@H+](CCc3ccccc3)C2)cc1C[NH3+],-8.216
MOL_02_029864,Cc1nc2ccc(Cl)cn2c1-c1cc(C[NH3+])cc(Nc2ccccc2)n1,-8.216
MOL_01_031544,C[C@H]([NH3+])N1CCc2ccc([C@H]([NH3+])CCC[N@@H+](C)Cc3ccccc3)cc2CC1,-8.215
MOL_01_032899,[NH3+]Cc1ccc2ncc3cc(C[NH3+])c(C[NH3+])cc3c2c1,-8.215
MOL_02_019670,Cc1cccc(-c2cnn3ccc([C@H](O)Nc4ccccc4N4CC[NH+](CCN[C@@H](N)[NH3+])CC4)nc23)c1,-8.211
MOL_01_026990,Nc1c2ccccc2c(Cc2ccccc2)n[n+]1CC(=[NH2+])Nc1ccccc1Cl,-8.211
MOL_02_012062,Nc1ncnc2c1ncn2[C@@H]1CC[NH2+]C1,-8.211
MOL_02_002930,CCCCNc1nc(NCc2cccc(-c3ccccc3)c2)nc(N2CCC[C@H]2C[NH2+]C(O)(O)c2ccc(C(Cl)(Cl)Cl)cc2)n1,-8.21
MOL_01_026842,Cc1nc2c(N)cccc2cc1C[C@H](CC[NH3+])[C@H]([NH3+])c1cccc(Cl)c1,-8.209
MOL_01_030154,C[NH+](C)CCCNC(=[NH2+])[C@H](Cc1ccc(Cl)cc1)NC(=[NH2+])C1(c2ccc(Cl)cc2)CC1,-8.208
MOL_02_036127,Cc1ccc(C[NH3+])cc1-n1c(N)nc2cnccc21,-8.208
MOL_01_026964,CC(=[NH2+])C[n+]1nc(-c2ccccc2)cc(NCCc2ccccn2)c1N,-8.207
MOL_01_031136,[NH3+]Cc1ccc(C(=O)[C@H]2CCC=C2CCc2cccnc2)cc1C[NH3+],-8.207
MOL_02_020165,Nc1c(C[NH3+])ccnc1N1CCn2cnnc2C1,-8.207
MOL_01_026226,C[C@H]([NH3+])c1cc(Cl)ccc1N[C@H]([NH3+])c1cccc(-c2cnc3ccccc3c2)c1,-8.206
MOL_02_011443,Nc1nccn2c([C@@H]3CCC[NH2+]C3)nc(Cl)c12,-8.203
MOL_01_030015,[NH3+]Cc1cccc([C@H](O)Nc2cccc(Nc3cc4c(=O)[n-][nH]c(=O)c4cc3Cl)c2)c1,-8.203
MOL_01_022430,[NH3+]CCN1CC[NH+](Cc2ccc(C[N-]C(=O)C3=C4C(=O)N=CN=C4C=C3)cc2)CC1,-8.202
MOL_02_009351,Cc1ccc([C@H](C[NH2+]C(C)C)[C@H]([O-])[NH+]2CCN(c3ncnc4c3[C@@H](C)C[C@H]4O)CC2)cc1Cl,-8.202
MOL_02_034456,C[NH2+]C[C@@H]1COCCN1c1cc(C)nc2ncnn12,-8.202
MOL_01_030960,CCc1cc(-c2cccc(OC)c2)c(O)c(CC[NH3+])c1O,-8.201
MOL_02_021869,Cc1nccc(-c2cnc(N3CC[C@H](Cl)C3)c(C[NH3+])c2)n1,-8.2
MOL_02_027560,C[NH2+]C[C@H](C[NH3+])[C@@H]1CC[C@@H]([NH3+])[C@@H]([C@H]([NH3+])c2cc(N3CCn4ncnc4C3)ncn2)C1,-8.2
MOL_02_019179,Cc1cc(N2CCN(c3ccc(C[NH3+])c(C)c3)CC2)n2ncnc2n1,-8.199
MOL_02_037084,CCCC[n+]1c(N2CC[NH2+]CC2)[nH]c2c1CN(CCc1ccccc1)[C@@H]([NH+](C)C)N2,-8.199
MOL_02_004129,[NH3+]C[C@H](CCCc1ccccc1)[C@H](O)Nc1ccccc1,-8.198
MOL_02_033406,O[C@H](Nc1ccc2c(c1)CCCO2)[NH+]1CCC(Cn2cncn2)CC1,-8.197
MOL_02_001971,Cc1ccc(C(O)(O)N(C)C[C@@H]2Oc3ccc(N[C@H](O)Cc4cn(C)c5ccccc45)cc3[C@@H]([O-])[N@H+]([C@H](C)CO)C[C@H]2C)cc1,-8.196
MOL_01_024575,Cc1cccn2cc(-c3cccc(CC(=O)c4cc(C[NH3+])c(C[NH3+])c(C[NH3+])c4)c3)nc12,-8.194
MOL_02_022209,Cc1cc(N2CCC([NH2+][C@H](O)NCc3nnc4n3CCCCC4)CC2)nc(C)[nH+]1,-8.194
MOL_02_031712,Cn1nccc1[C@@H]1[C@H](C[NH2+]Cc2cccc3nccn23)CCC[N@@H+]1C,-8.194
MOL_02_037484,O[C@@H](N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[NH2+]Cc1cccnc1-n1cccn1,-8.194
MOL_02_009515,Cc1cc(N[C@H](O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)ccc1Cl,-8.193
MOL_02_012628,CNc1ncc(-c2c(N)ncnc2N2CCC(c3[nH+]c(-c4ccc(Cl)c(C(Cl)(Cl)Cl)c4)cn3CC[NH+](C)C)CC2)cn1,-8.193
MOL_02_030129,Cc1cc(N2CCN(C)C[C@H]2C[NH3+])n2ncnc2c1,-8.19
MOL_01_030618,CCCCCCCC1=N[C@@H]([NH3+])N[C@H](c2ccc(F)cc2)[C@H]1C[NH3+],-8.19
MOL_02_002646,Cc1ccc(N[C@H](O)C[C@@H]2C[C@@H](Nc3ccccc3C)[NH2+][C@H]2O)c(C)c1,-8.188
MOL_02_009407,CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(Cl)c(C(Cl)(Cl)Cl)c3)cn2CC[NH+]2CC(C)C2)CC1,-8.188
MOL_02_001046,Cc1ccc(C(Cl)(Cl)Cl)cc1N[C@H](O)[C@H](O[C@H](O)C[NH2+][C@H]([O-])c1ccc(N(C)C)cc1)c1ccccc1,-8.186
MOL_02_005604,[O-][C@@]1(O)[NH2+][C@@H]([C@@H](O)NNCc2ccc(O)cc2O)[C@H](O)c2ccccc21,-8.185
MOL_02_023222,CCc1cc(N2CCC[C@@H]([NH2+][C@H](O)N[C@@H]3CCc4ncnn4C3)C2)ncn1,-8.185
MOL_01_030564,Nc1c([C@H]([NH3+])CCc2cccc(CCc3ccc4ccccc4n3)c2)cccc1[C@@H](N)[NH3+],-8.184
MOL_02_012622,Nc1ccc(-c2cncn2-c2cccc(C[NH3+])c2)cn1,-8.184
MOL_01_031898,[NH3+][C@H](CC[C@H]([NH3+])c1ccccc1)NCc1cccc(C(F)(F)F)c1,-8.183
MOL_01_028516,N[C@@H]([NH3+])CCc1ccc(-c2ccc(Cl)cc2)cc1[C@H]([NH3+])c1cnn(-c2ccccc2)c1,-8.183
MOL_01_031129,Cc1ccc(CCC(=[NH2+])C[n+]2cc[n+](-c3cc(C)cc(C)c3)c(N)c2N)cc1,-8.181
MOL_02_008846,[O-][C@@H]([NH2+][C@@H](CO)C(O)O)[C@H](Cc1ccccc1)N[C@H](O)OCc1ccccc1,-8.181
MOL_02_009219,CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(Cl)c(C(Cl)(Cl)Cl)c3)cn2C[C@@H]2CC[NH2+]2)CC1,-8.18
MOL_02_031117,Cn1nccc1[C@@H]1[C@H](C[NH2+]Cc2cnc3cnccn23)CCC[N@@H+]1C,-8.178
MOL_01_030965,N[C@@H](c1cccc(C[NH3+])c1)[C@H]([NH3+])N1CCN(c2ccccc2)CC1,-8.177
MOL_02_008243,CN[C@H](O)c1cc(Oc2ccc(NC(O)(O)c3ccc4ccccc4c3)cc2)ccn1,-8.175
MOL_02_030880,C[NH2+][C@H](NCc1cccnc1-n1ccnc1)N1CCN(c2cnn(C)c2)[C@@H](O)C1,-8.174
MOL_02_005765,C[NH+](C)CCCOc1ccc([C@H]([NH2+][C@H](O)c2ccc(-c3cccc(N[C@H](O)c4ccccc4)c3)o2)[C@H](O)N2CC[NH2+]CC2)cc1,-8.173
MOL_02_031483,C[C@H]([NH3+])c1cc(Cn2cnc3c(N)ncnc32)ccc1Cl,-8.17
MOL_02_017395,C[NH2+]CC[C@@H]1CCCCN1c1cc(C)nc2ncnn12,-8.17
MOL_02_000580,CC(C)[C@@H]([NH2+][C@@H](O)[C@@H](C)C[C@@H](O)[C@@H](Cc1ccccc1)[NH2+][C@@H]([O-])[C@@H](C)N[C@@H](O)[C@@H]([NH3+])C(C)C)[C@H](O)NCc1ccncc1,-8.17
MOL_01_028142,NC(=O)c1ccc(CC(=O)CCC(=O)Cn2cnc3ccccc32)cc1,-8.169
MOL_02_006909,Cc1ccc2c(c1)[C@@H](c1ccccc1)N([C@H]([NH3+])O)C[C@@H](O)N2C,-8.169
MOL_02_012862,Nc1ncnc(N2CCC(c3[nH+]c(-c4ccc(Cl)c(C(Cl)(Cl)Cl)c4)cn3CC[NH+]3CCC3)CC2)c1C(C[NH3+])C[NH3+],-8.169
MOL_01_032908,C[C@@H]1Cc2c(C[NH3+])ccc(C[NH3+])c2C[C@H]1[NH2+]CCCCc1ccccc1,-8.168
MOL_02_020010,Cc1cccc(-n2nc(C[NH3+])c(N3CCc4ccccc4C3)n2)c1C,-8.168
MOL_02_003421,Cc1ccc2c(c1)CC[C@H]2[NH2+][C@H](O)Nc1ccc2c(c1)N(C)[C@@H](O)CC2,-8.167
MOL_02_002039,Cc1ccc(N[C@H](O)C[C@H]([NH3+])NO)cc1C,-8.166
MOL_02_009907,CCCC[NH2+]CCn1cc(-c2ccnc(C(Cl)(Cl)Cl)c2)nc1C1CCN(c2ncnc(N)c2Cl)CC1,-8.166
MOL_02_034328,Nc1ncnc2c1ncn2Cc1ccccc1C[NH3+],-8.165
MOL_01_029806,CCc1ccc(Cl)cc1N[C@H]([NH3+])CN(C)[C@H]([NH3+])c1ccc(-n2cncn2)cc1,-8.165
MOL_02_016884,Cc1cccc(N2CC[NH+](CCCn3cnc4c(N)ncnc43)CC2)c1,-8.165
MOL_01_027072,NC(=[NH2+])C[C@H](NCc1ccccc1)c1ccc(Cl)cc1Cl,-8.164
MOL_01_031756,CCN(Cc1c2ccccc2c(Cl)c2ccccc12)C(=[NH2+])[C@@H]([NH3+])CCCC[NH3+],-8.163
MOL_02_003225,COc1cc(CC[C@H](O)OC[C@@H]2O[C@@H](O[C@@H]3OC[C@@H](C(O)O)[C@@H]4CC[C@@H](C(O)O)[C@H]34)[C@@H](O)[C@@H](O)[C@H]2O)ccc1O,-8.163
MOL_02_021988,CC[N@H+]1CCC[C@@H](n2c(C)c(C)c3c(N)ncnc32)C1,-8.163
MOL_02_031367,CNc1cc(N2CC[C@@H]([NH3+])C2)ncn1,-8.161
MOL_02_009096,O=c1cc(N2CCOCC2)nc(C[C@H](O)Nc2ccc(Cl)c(C(Cl)(Cl)Cl)c2)[nH]1,-8.161
MOL_02_019247,[NH3+]Cc1ccc2ncc(C[NH2+][C@@H]3CCN(c4ccccc4Cl)C3)n2c1,-8.16
MOL_01_028695,N[C@@H]([NH3+])c1ccccc1CC[C@H]([NH3+])N1CCCc2ccccc21,-8.16
MOL_02_013546,C[C@@H]1C[C@@H](O)c2ncnc(N3CCN([C@H](O)[C@H](C[NH2+]CC4CC4)c4ccc(C(Cl)(Cl)Cl)cc4Cl)CC3)c21,-8.159
MOL_02_004713,Cn1cc([C@H]2[C@H](c3cn(CCC[NH+](C)C)c4ccccc34)[C@@H](O)[NH2+][C@H]2[O-])c2ccccc21,-8.158
MOL_02_017292,Cn1ncc2c(NC[C@@H]3CCC[N@H+](CCO)C3)nc(-c3ccncc3)nc21,-8.158
MOL_02_019259,O=c1[nH]nc2cc(N3CC[NH+](CCO)CC3)ncn12,-8.158
MOL_02_036628,c1cnc(-n2nc(Cn3cnc4ccccc43)c3c2CC[NH2+]C3)nc1,-8.158
MOL_01_030373,CC[C@H]1CCCCN1C[C@H]([NH3+])Nc1cc(C[NH3+])c(C[NH3+])cc1C[NH3+],-8.157
MOL_02_009006,Cc1ccc(C[C@H]([NH3+])[C@H]([O-])[NH+]2CCN(c3nc[nH+]c4c3CC(O)(O)C4)CC2)cc1,-8.157
MOL_02_025161,[NH3+]Cc1cccc(Cl)c1N1CCN(c2ccncn2)CC1,-8.157
MOL_01_031183,CC[N+]1=C(N)[C@H](/[NH+]=C(\N)Cc2ccccc2)[C@@H]1/N=C(\N)c1ccccc1,-8.156
MOL_02_003852,CCCC[C@H](Cc1ccc(Cl)cc1)[C@H](O)OC[C@H]([NH2+][C@H](O)[C@H](CCC)C[C@H](O)[NH2+]CCO)c1ccccc1,-8.155
MOL_01_027066,Cc1ccnc2c(NCC[C@@H](N)[NH3+])cc(C[NH3+])c(Cc3cccc(C(F)(F)F)c3)c12,-8.154
MOL_01_029517,CN[C@H]([NH3+])c1cccc(N[C@H]([NH3+])N2CCC(Cc3cc(F)ccc3Cl)CC2)c1,-8.151
MOL_02_018011,Cc1ccc([C@H](C[NH3+])[C@H]([O-])[NH+]2CCN(c3ncnc4c3[C@@H](C)C[C@H]4O)CC2)cc1Cl,-8.151
MOL_02_012237,[NH3+]Cc1ccc2c3ccc(C[NH3+])cc3n(-c3ccc(-c4cnc(C[NH3+])nc4)cc3C[NH3+])c2c1,-8.15
MOL_02_014158,Cc1ccc2c(N3CC[NH+](CCc4cccc(-n5cc[nH]c5=O)c4)CC3)cccc2n1,-8.15
MOL_02_011477,Nc1cc(N2CCn3[nH+]c(CNc4cnccn4)cc3C2)ncn1,-8.149
MOL_01_028873,Nc1ccccc1CC[C@@H]([NH3+])Nc1ccc(CC[N@@H+]2CCc3cc(C[NH3+])c(C[NH3+])cc3C2)cc1,-8.149
MOL_02_029767,c1ccc2c(CC[N@@H+]3CC[N@@H+]4CC[C@@H](c5ccncn5)N[C@@H]34)cccc2c1,-8.149
MOL_01_024871,CCNC(=[NH2+])c1cccc(-c2c3c(c(N)c4ncccc24)C(N)=[N+](Cc2ccc(F)cc2)C3)c1,-8.149
MOL_01_026885,[H]/N=C(/NCCC[NH+]1CCC(c2ccc(F)cc2)CC1)[N+]1=C(N)C[C@H](C)[C@H]1c1ccc(F)c(F)c1,-8.149
MOL_01_029681,C[N@@H+]1CCc2cc(C[NH3+])c(C[NH3+])cc2[C@H]1CCc1ccc(Cl)cc1,-8.148
MOL_01_030829,[NH3+]CCCc1ccc2c(c1)CCC(C(=O)C[C@H]([NH3+])Cn1ccnc1)=N2,-8.148
MOL_02_030302,Cc1cc(N2CCN(C[C@H](C)[NH3+])CC2)n2ncnc2n1,-8.148
MOL_02_002968,O[C@H](Cc1cccc(Cl)c1)NCC[NH2+]Cc1ccc2c(c1)CCO2,-8.146
MOL_01_028913,C=C(CC1N[NH2+]N[NH2+]N1)c1ccc2c(c1)[C@H](CCC)C(=C)[C@](N)([NH3+])C2,-8.145
MOL_02_009692,CC(C)(C)O[C@H](O)n1ccc2c(N[C@H](O)Cc3nc(N4CCOCC4)cc(=O)[nH]3)cccc21,-8.145
MOL_02_015152,Cc1ccc(C[NH3+])c(N2CCC[C@@H](Cc3nnc4ccccn34)C2)n1,-8.144
MOL_01_030513,Cc1cnc(=O)[nH]c1CC[C@H](O)Nc1cc(C(F)(F)F)ccc1Cl,-8.144
MOL_02_033703,C[N@H+]1CCc2c(cc3ncn(CC[NH+]4CCN(c5cccc6ccccc56)CC4)c(N)c2-3)C1,-8.143
MOL_02_009694,CCc1c(N)ncnc1N1CCC(c2nc(-c3cncc(C(Cl)(Cl)Cl)c3)cn2CC[NH+]2CCC2)CC1,-8.141
MOL_02_031029,O[C@H]([NH2+]Cc1ccc(N2CCOCC2)nc1)[C@@H]1C[C@@H](O)N(c2ccc3c(c2)CCC3)C1,-8.141
MOL_01_032075,CC[C@@H](C[C@@H]([NH3+])c1cc(C[NH3+])nn1C)c1ccc(Cc2ccccc2)cc1,-8.14
MOL_02_012820,Nc1ccc(-c2cncn2-c2ccc(C[NH3+])cc2)cn1,-8.14
MOL_02_013108,Cc1cc(-c2cn(CC[NH+](C)C)c(C3CCN(c4ncnc(N)c4C)CC3)[nH+]2)ccc1Cl,-8.14
MOL_02_019086,Cc1nc2ncnn2c(N2CCN(c3nc4c(cc3C[NH3+])CCC4)CC2)c1C,-8.138
MOL_02_006584,[NH3+]C[C@H](NN[C@H](O)Cc1ccccc1)c1cccc(O)c1,-8.138
MOL_02_024427,Nc1ncc([C@H](C[NH3+])CNCCO)nc1NCc1ccn2nccc2c1,-8.137
MOL_01_027797,[NH3+]Cc1ccc(C[NH3+])c(Nc2c(C[NH3+])cnc3ccc(Cl)cc23)c1,-8.137
MOL_02_014159,O=c1[nH]c2ccccc2n1CCCCC[NH+]1CCN(c2ccccc2)CC1,-8.137
MOL_01_029544,[NH3+][C@H](CCc1cccc2cccnc12)N1CCc2ccccc2C1,-8.136
MOL_02_022137,Nc1ncnc2c1ccn2N[C@@H]1NCC[N@H+]1CCO,-8.136
MOL_01_029052,N[C@@]1([NH3+])Cc2ccc(F)cc2[C@@H](C[C@H]([NH3+])Cc2ccccc2)N1,-8.135
MOL_01_027099,[NH3+][C@H](CC[C@H]([NH3+])NCCc1ccccc1)Cn1cnc2ccccc21,-8.134
MOL_01_031198,CC(C)[NH2+]Cc1cc(-c2cccc(N[C@H]([NH3+])c3cccc(Cl)c3)c2)ccc1C[NH3+],-8.134
MOL_01_026037,N[C@@H]([NH3+])n1cnc2c(NCc3ccccc3)cc(C[C@@H](C[NH3+])CC[NH3+])cc21,-8.133
MOL_02_009663,Cc1ccc([C@H]([NH2+]C(C)(C)C)c2ccc(-c3ccncc3)cc2)cc1,-8.133
MOL_02_016155,C[C@@H](Cn1cnc2c(N)ncnc21)C[NH+]1CCN(c2ccccc2)CC1,-8.131
MOL_02_012367,[NH3+]Cc1cnc(-c2ccc(-n3c4cc(C[NH3+])ccc4c4ccc(C[NH3+])cc43)c(C[NH3+])c2)nc1,-8.129
MOL_02_000395,Cn1nc([C@H](O)Nc2ccccc2C[NH3+])c2c1-c1ccccc1CC2,-8.128
MOL_01_030008,[NH3+]CC1=C(CCc2ccc(O)cc2)C[C@]2(CC[C@@H](C(=O)[O-])CC2)NC1=O,-8.127
MOL_02_018953,Nc1nc2cnccc2n1-c1cccc(C[NH3+])c1,-8.126
MOL_02_024200,CC[NH2+][C@H](NCc1nnc2n1CCCC2)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1,-8.126
MOL_02_037086,[NH3+]Cc1cnc2c(NC3CC3)cc(Nc3ccc(N4CCOCC4)c(N(C[NH3+])C[NH3+])c3)nn12,-8.126
MOL_02_008958,CC(C)(C)[C@H](O)CN1c2ccccc2N(C2CCCCC2)[C@@H](O)N(C[C@H](O)Nc2cccc(CCC(O)O)c2)[C@H]1O,-8.125
MOL_02_036055,[NH3+]Cc1cc(C[NH3+])c(-n2c3ccccc3c3cc(-c4ccccc4)[nH+]cc32)c(C[NH3+])c1,-8.124
MOL_02_033621,C[NH2+]C[C@@H]1CCCN(c2ccn3nccc3n2)C1,-8.124
MOL_02_020595,O[C@H]([NH2+]CCCN1CCCc2ccccc21)C1CCN(c2nnc3ccccn23)CC1,-8.124
MOL_02_009227,CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(Cl)c(C(Cl)(Cl)Cl)c3)cn2CC[NH+]2CCC2)CC1,-8.124
MOL_02_008525,CC[C@H](O)Nc1ccc([C@H](O)Nc2cc(Oc3ccc4c([C@H](O)[NH2+]C)cccc4c3)cc[nH+]2)cc1,-8.123
MOL_02_009798,O=c1cc(N2CCOCC2)nc(C[C@H](O)Nc2ccc(Cl)cc2Cl)[nH]1,-8.123
MOL_02_020237,Cc1cc(N2CCN(c3ccc(C[NH3+])cn3)CC2)n2ncnc2n1,-8.123
MOL_02_024263,Cn1nccc1-c1ccc([C@H](O)N[C@@H]2C[NH2+]CC[C@H]2c2cc(Cl)cc(Cl)c2)c(Cl)c1,-8.123
MOL_02_014978,Nc1nccn2c1c(Cl)nc2[C@H]1C[C@H]([NH+]2CCNCC2)C1,-8.121
MOL_02_009112,Cc1ccc(C[C@H]([NH3+])[C@H]([O-])[NH+]2CCN(c3ncnc(N)c3Cl)CC2)cc1,-8.12
MOL_02_019302,C[C@H](Nc1cncc(-n2cnc3ccc(C[NH3+])cc32)n1)c1cccnc1,-8.12
MOL_02_006635,N[NH2+]NC[C@@H]1C[C@@H](c2ccc(N3CCOCC3)cc2)ON1,-8.119
MOL_01_028141,Cc1ccc(OC[C@@](C)(O)[C@H]([NH3+])Cc2ccc(CO)c(C(F)(F)F)c2)cc1,-8.118
MOL_01_031552,[NH3+][C@H](Nc1cccc(C[NH+]2CCC([C@H]([NH3+])NC3CCCCC3)CC2)c1)C1CCCC1,-8.118
MOL_02_009700,O=c1cc(N2CCOCC2)nc(C[C@H](O)Nc2cc(Cl)c(Cl)cc2Cl)[nH]1,-8.117
MOL_02_009499,Nc1ncnc(N2CCC(c3nc(-c4ccnc(C(Cl)(Cl)Cl)c4)cn3CC[NH+]3CCC3)CC2)c1OCC(Cl)(Cl)Cl,-8.116
MOL_02_032284,O[C@H]([NH2+]Cc1cccc(N2CCCC[C@H]2O)c1)C1CCN(c2ccc3nncn3n2)CC1,-8.116
MOL_01_029665,[NH3+][C@@H]1c2c(F)c(F)c(F)c(F)c2[C@H]([NH3+])N1C1Cc2ccccc2C1,-8.115
MOL_01_030427,Cc1c(CN2CC[N@@H+](Cc3ccc(NN)cc3N)C[C@@H]2CC[NH3+])ccc(NN)c1C,-8.114
MOL_02_024580,c1cc2c(c(C[NH+]3CCC(c4nnc5cnccn45)CC3)c1)CC[NH2+]C2,-8.114
MOL_02_035818,[NH3+]Cc1ccc([C@H]([O-])[NH+]2CCC(n3c(=O)[nH]c4cncnc43)CC2)cc1,-8.113
MOL_02_009919,Cc1cc(Cl)ccc1N[C@H](O)Cc1nc(N2CCOCC2)cc(=O)[nH]1,-8.113
MOL_01_032570,Cc1ccc2cc(-c3cccc(C[NH3+])c3)cc(O)c2c1,-8.113
MOL_02_026737,Cc1nn(C)c2ncc(N[C@H](O)[NH+]3CCN(c4ccccc4O)CC3)cc12,-8.112
MOL_02_030708,Cc1nc(N2CCC[C@@H](CCO)C2)cc2n[nH]c(=O)n12,-8.111
MOL_02_036173,[NH3+]Cc1ccc(-n2cnc3ccccc32)c(C[NH3+])c1,-8.111
MOL_02_001359,Cn1cc([C@H]2[C@H](c3cn(CCCC[C@@H](N)[NH3+])c4ccccc34)[C@H]([O-])[NH2+][C@@H]2O)c2ccccc21,-8.109
MOL_02_009784,C[C@@H]1CCc2ncnc(N3CC[NH+]([C@H]([O-])[C@H]([NH3+])Cc4ccc(Cl)c(Cl)c4)CC3)c21,-8.109
MOL_01_027950,Cc1nc(CCc2ccccc2Cl)c2c(c1C[NH3+])CC[N@H+](Cc1ccccc1)C2,-8.108
MOL_02_005293,[NH3+][C@H](O)NNCc1c(O)ccc2ccccc12,-8.108
MOL_02_004070,O[C@H](CCCCc1ccc2c(c1)OCO2)[NH2+]C1CCCC1,-8.107
MOL_02_030100,C[NH2+][C@@H]1CCCN(c2cc(C)nc3ncnn23)C1,-8.107
MOL_02_034200,O[C@H](NCc1cccc(Cl)c1)[NH2+]C1CCN(c2cc3c(nn2)CCCC3)CC1,-8.106
MOL_02_020528,[NH3+]Cc1cccc(-c2cncnc2-n2ccnc2)c1,-8.104
MOL_02_026949,COc1ccc(CC[NH2+][C@H](O)N2CCN(c3cc(C)nc4ncnn34)CC2)cc1,-8.103
MOL_01_032329,CCCc1cccc(NCc2ccccc2C(N)=[NH2+])c1C(N)=[NH2+],-8.102
MOL_02_028574,[NH3+]CCOC1CCN(c2cc3n[nH]c(=O)n3cn2)CC1,-8.102
MOL_02_034052,Cc1nccn1-c1ccc(C[NH2+][C@H](O)[C@@H]2C[C@H]3CCC[C@@H](C2)[C@H]3[NH3+])cn1,-8.102
MOL_02_036203,c1cn2c(CN3CCC(c4[nH+]cc5n4CCCC5)CC3)cnc2cn1,-8.102
MOL_01_029808,[NH3+][C@H](Nc1ccc(Cc2cccnc2)cc1)C1CC[NH+](Cc2cccc(Cl)c2)CC1,-8.101
MOL_01_028169,[NH3+]Cc1cc(-c2cccc3ccccc23)cc2c1C[NH2+]C[C@@H](Cc1cccnc1)C2,-8.101
MOL_01_032251,Cc1c(C[NH3+])c(=[NH2+])oc2cc(NCc3ccccc3)ccc12,-8.101
MOL_01_031356,[H]/N=C1\c2ccccc2-c2c(/C(N)=N/C[NH2+]CN[NH2+]N)cccc21,-8.099
MOL_02_017125,Nc1ncnc2c1ncn2CCCCc1[nH+]c2ccccc2n1CCc1ccccc1,-8.098
MOL_02_030815,C[NH2+][C@H](NCc1[nH+]ccn1Cc1ccccc1)N1CCN(c2cnn(C)c2)[C@@H](O)C1,-8.097
MOL_01_027345,Nc1ccc2c(c1)CCCN2C(=[NH2+])Cc1ccccc1C[NH3+],-8.096
MOL_01_028242,Nc1cc(Cl)cc(Cl)c1NC(=[NH2+])C[C@H]1[NH2+]CCc2ccccc21,-8.096
MOL_02_027477,C[NH2+]C[C@@H]1CCCCN1c1cc(C)nc2ncnn12,-8.096
MOL_02_018028,CC[NH2+]C[C@H](c1ccc(Cl)cc1)[C@H]([O-])[NH+]1CCN(c2ncnc3c2[C@@H](C)C[C@H]3O)CC1,-8.095
MOL_01_019876,C[NH2+]CC[C@H](c1ccccc1)[n+]1c(N)n([C@@H](N)[NH3+])c2ccccc21,-8.094
MOL_02_032473,Cc1cc(N2CCN(c3cc(C)[nH+]c(C)c3CN)CC2)n2ncnc2n1,-8.093
MOL_02_009809,Cc1c(N)ncnc1N1CCC(c2[nH+]c(-c3ccc(Cl)c(C(Cl)(Cl)Cl)c3)cn2CC2C[NH2+]C2)CC1,-8.093
MOL_02_006949,[NH3+]Cc1ccc([C@H](O)Nc2ccc([C@H](O)N3CCC[C@H]3C[NH3+])cc2)cc1,-8.093
MOL_02_015385,[NH3+]Cc1c(N2CC[C@@H](n3cncn3)C2)nc2ccccn12,-8.09
MOL_02_023471,Nc1c(N(CCC[NH3+])CCC[NH3+])ncnc1-n1cnc2ccccc21,-8.09
MOL_02_033030,[NH3+]Cc1ncn(-c2ncnc3ccccc23)c1C[NH3+],-8.09
MOL_02_003963,CC[N@@H+](CCO)[C@@H]1C[C@@H](O)N(c2ccccc2C)[C@H]1O,-8.089
MOL_02_035001,Cc1cc(N2CCC(C[NH3+])CC2)n2ncnc2n1,-8.086
MOL_02_003402,CC[NH2+][C@H](O)Nc1ccc(Oc2ncnc(N)c2CNOC)cc1C,-8.085
MOL_02_034864,Clc1nc(Nc2ncc3ccc4ncc(C5CCCC5)n4c3n2)ccc1N1CC[NH2+]CC1,-8.085
MOL_02_019125,Cc1cccc(-c2ccccc2C[NH+]2CCN(CCCn3c(=O)[nH]c4ccccc43)CC2)c1C,-8.084
MOL_01_032569,CCc1cc(CC)cc([C@H]([NH3+])NCC2(C[NH3+])CC[NH+](CCc3ccccc3)CC2)c1,-8.084
MOL_01_031506,C[C@H](O)c1ccc([C@H](O)Nc2ccc(C[NH3+])cc2C[NH3+])cn1,-8.084
MOL_01_030558,C[C@H]([NH3+])C1(N[C@H]([NH3+])c2cccc3c2CCCC3)Cc2ccccc2C1,-8.083
MOL_02_006349,Cc1ccc(-c2ncccc2Cl)cc1[C@H](O)Nc1cc([C@H](O)N[C@@H]2CCC[NH2+]C2)nn1-c1ccccc1,-8.083
MOL_01_025936,C=C1[C@H](C/C(C)=N/c2cc(C[NH3+])cc(C[NH3+])c2)N(CNC[NH3+])C(=C)N1c1ccc(Cl)cc1,-8.081
MOL_02_010059,CC(C)Oc1c(N)ncnc1N1CCC(c2nc(-c3ccnc(C(Cl)(Cl)Cl)c3)cn2CC[NH+]2CCC2)CC1,-8.08
MOL_02_011312,Cc1cc(N2CCN(c3ncccc3C[NH3+])CC2)n2ncnc2n1,-8.08
MOL_01_026732,Cc1ccc2c(Cl)cc(Cl)c(CC[C@H]([NH3+])CC[C@H]([NH3+])Nc3ccc(C[NH3+])cc3)c2n1,-8.079
MOL_02_002386,[NH3+]C[C@H](Cc1ccc(-c2ccc3c(c2)C[C@@H](O)N3)cc1Cl)N[C@H](O)[C@@H]1[NH2+][C@@H]2CC[C@H]1C2,-8.079
MOL_02_025365,CC[C@@H]1CCCC[N@@H+]1CCCn1cnc2c(N)ncnc21,-8.079
MOL_02_035422,[NH3+]Cc1ccc(N2CCC([NH2+][C@H](O)N3CCC[C@H]3c3nnc4n3CCCCC4)CC2)nc1,-8.078
MOL_02_009952,Cc1ccc([C@@H]2C[C@@H](CC(O)O)[NH2+]C[C@H]2N[C@H](O)c2cc(-c3c(C)cnn3C)c(C)o2)cc1C,-8.078
MOL_02_019317,O[C@H](NCc1nncn1C1CCCCC1)[N@@H+]1CCN(c2ccccc2)[C@@H](O)C1,-8.078
MOL_01_030127,[NH2+]=C(NC[C@H]1CC[C@@H](C(=[NH2+])NCc2ccc(C[NH3+])cc2)CC1)[C@@H]1Cc2ccccc2CN1,-8.077
MOL_02_015444,Nc1ncnc(N2CCC(C[N@H+]3CCC(Cl)(Cl)[C@H]3c3ccc(Cl)cc3)CC2)c1-c1ccc(Cl)cc1,-8.076
MOL_02_004549,Cc1nc(C[NH3+])c(NCc2ccc3c(c2)OCO3)o1,-8.075
MOL_02_009937,Cc1cc(N[C@H](O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)cc(C)c1Cl,-8.075
MOL_02_024423,Cc1c(CCN(CC[NH3+])Cc2cnn(-c3cc(N)c(CN)c[nH+]3)c2)ccc2c1CC[C@H]2C,-8.074
MOL_02_009748,Cc1ccc(C[C@H](CC2([NH3+])CC2)[C@H]([O-])[NH+]2CCN(c3ncnc4c3[C@@H](C)CC4)CC2)cc1Cl,-8.073
MOL_02_027581,Cc1nc(Nc2c(C[NH3+])cnn2-c2cc(C)c3cccc(C)c3n2)cc(N2CC[NH+](C)CC2)n1,-8.073
MOL_01_031044,[NH3+]Cc1cc(C[NH3+])nc(N[C@@H]2CC(=O)c3ccccc32)n1,-8.072
MOL_01_033001,Cc1cccc([C@H]([NH3+])CC[C@H](C)C[NH2+]CCc2ccc(C[NH3+])c(C[NH3+])c2)c1,-8.071
MOL_02_000508,Cc1ccc(CCNC(O)(O)c2ccc3c(c2)N[C@@H](O)[C@@H](C)[C@@H](O)N3)cc1,-8.071
MOL_02_032775,Cc1ccc2c(c1)[nH]c(=O)n2C1CCN(c2ncnc3ccc(C)cc23)CC1,-8.071
MOL_01_027062,[NH3+]CCCn1nc2cc([C@H]([NH3+])CCc3ccc4c(c3)CCC4)ccc2c1CC[NH3+],-8.067
MOL_02_006578,ON(O)c1cc(Oc2cccnc2)cc(N(O)O)c1,-8.067
MOL_02_009304,O=c1cc(N2CCOCC2)nc(C[C@H](O)N2CCc3c(-c4ccccc4Cl)cccc32)[nH]1,-8.067
MOL_02_024612,Cc1cn2c(-c3nccc(N4CC[NH2+][C@@H]([C@@H]5CC[NH2+]C5)C4)n3)cnc2cn1,-8.067
MOL_02_026558,Nc1ncnc2c1ccn2C1CC[NH2+]CC1,-8.067
MOL_01_028750,[NH3+]Cc1cnn(-c2ccccc2)c1N[C@H](O)[C@H](O)[NH2+]CCc1ccccc1,-8.066
MOL_02_014886,Cc1ccc(CCC[NH2+]CCC[C@H](O)[NH+]2CCN(c3ncnc4c3[C@@H](C)C[C@H]4O)CC2)cc1Cl,-8.064
MOL_01_027523,CCC(=O)c1ccc(N)c(CC(=O)Cn2cnc3ccccc3c2=O)c1,-8.063
MOL_01_029781,Nc1cccc([C@@H]([NH3+])C2=Cc3cc(C[NH3+])ccc3CC2)c1N,-8.063
MOL_01_026693,[NH2+]=C(NCCN1[C@H]([NH3+])CN(c2cccc3c2CCCC3)C[C@@H]1[NH3+])c1ccc(F)cc1,-8.061
MOL_02_031283,Cc1cc(N2CC[C@@H](C)[C@@H](C[NH3+])C2)n2ncnc2c1,-8.061
MOL_02_032075,[NH3+]CCN1CCN(c2cc3n[nH]c(=O)n3cn2)CC1,-8.06
MOL_01_029205,CC(C)c1ccc2c(c1)[C@H](C(N)=[NH2+])c1ccccc1C=C2,-8.059
MOL_01_032968,N[C@@H]([NH3+])CN(C1CCCC1)[C@H]([NH3+])[C@@H]1Cc2ccc(Cl)cc2C1,-8.059
MOL_01_028294,[NH3+]CCCc1ccc(F)c2c1CC(=O)N2,-8.056
MOL_02_004145,CCOc1ccc(N[C@H](O)c2ccc(Cl)c(C(O)(O)NCc3ccc4c(c3)OCO4)c2)cc1,-8.056
MOL_02_002519,Cc1ccc(C[C@H]([NH2+][C@H]([O-])CC[NH3+])[C@H](O)N2CCN(c3[nH+]cccc3CN[C@H](O)OCc3ccccc3)CC2)c(C)c1,-8.055
MOL_02_019446,O[C@H](Nc1cccc2cccnc12)[NH2+][C@@H]1CCN(c2ccccn2)C1,-8.054
MOL_01_032668,C[C@H](O)c1cc2ccccc2cc1N[C@H](O)Nc1cccc(C(F)(F)F)c1,-8.053
MOL_01_024970,Nc1c2cccc-2ncn1-c1ccc(CCC[NH+]2CCCC2)c(C[NH3+])c1,-8.052
MOL_02_012409,[NH3+]Cc1ccc2c(c1)c1cc(C[NH3+])ccc1n2-c1cc(-c2ccccc2C[NH3+])cc(-n2c3ccccc3c3cccnc32)n1,-8.052
MOL_02_017108,Cc1nc2cnccc2n1-c1ccc(C[NH3+])cc1Cl,-8.052
MOL_01_032027,[NH3+]Cc1cccc([C@H](O)Nc2cccc(Cc3cccnc3)n2)c1,-8.051
MOL_02_017126,c1cc(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc(-n2ccnc2)c1,-8.049
MOL_02_036467,[NH3+]C[C@H](c1ccc(Cl)cc1)N1CCN(c2ncnc3c2CCCN3)CC1,-8.047
MOL_02_030290,Cc1nc2ncnn2c(N2CCC([NH2+]C3CC3)CC2)c1C,-8.047
MOL_02_027443,c1nc2c(Nc3ccc(N4CCOCC4)cn3)cc([C@@H]3CCC[NH2+]C3)cn2n1,-8.047
MOL_02_009803,O=c1cc(N2CCOCC2)nc(C[C@H](O)Nc2ccc(Cl)c(Cl)c2Cl)[nH]1,-8.047
MOL_02_009427,CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(C)c(Cl)c3)cn2CC[NH+]2CCCC2)CC1,-8.047
MOL_02_000980,C[C@H](O)[NH2+][C@H](c1ccco1)[C@H](O)NCc1ccccc1,-8.047
MOL_02_027151,Cc1nc(N2CCOC[C@H]2C[NH3+])cc2n[nH]c(=O)n12,-8.047
MOL_02_001925,Cc1ccc(CN2CC[N@H+]3[C@@H]2[C@H](N(O)O)[C@H](O)[C@@H]3C)cn1,-8.046
MOL_02_009086,Cc1ccc([C@H]([NH2+]C(C)C)c2ccc(-c3ccncc3)cc2)cc1,-8.046
MOL_02_031590,Nc1ncccc1-c1cncn1CC[NH+]1CCCC1,-8.046
MOL_02_009738,CCc1cc(N[C@H](O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)ccc1Cl,-8.045
MOL_02_017407,C[C@@H]1C[C@@H](O)c2ncnc(N3CCN([C@H](O)[C@H](C[NH2+]C4CCOCC4)c4ccc(C(Cl)(Cl)Cl)cc4Cl)CC3)c21,-8.044
MOL_02_008288,Cc1ccc([C@H](O)Nc2cc(N(C)CC[NH+](C)C)cc(C(Cl)(Cl)Cl)c2)cc1Nc1ncnc2cnc(NCCCl)nc12,-8.044
MOL_01_029245,Nc1ccccc1CCC(=[NH2+])NC[C@@H](c1ccccc1C[NH3+])[NH+]1CCCC1,-8.044
MOL_02_033266,O=c1cc(N2CCOCC2)cc(-c2cccc3c2Oc2ccc(NC4CC[NH+](C[C@H](O)c5ccccc5)CC4)cc2C3)[nH]1,-8.043
MOL_01_030005,CC(C)[N@H+]1CC[C@]1(C)[C@H](O)Nc1cccc(C[NH3+])c1C[NH3+],-8.042
MOL_02_004547,C[C@H]([NH2+][C@H](O)c1cccc(N2CCC[C@H]2O)c1)c1ccc2c(c1)OCCO2,-8.042
MOL_02_009312,O=c1cc(N2CCOCC2)nc(C[C@H](O)N2CCc3c(-c4ccncc4)cccc32)[nH]1,-8.04
MOL_01_022006,[NH2+]=C(Cc1ccc(Cl)cc1)N[C@H](Cc1ccc(Cl)cc1)C(=[NH2+])N[C@H]1CCC[NH2+]CC1,-8.039
MOL_02_001795,CO[C@H](O)[C@@H]1C[C@]2(C[C@@H](O)N(c3cc(C)cc(C)c3)[C@H]2O)N([NH2+][O-])[NH2+]1,-8.039
MOL_02_019697,[NH3+][C@@H]1c2ccccc2CC12CCN(c1ncc(Cc3cnc4ccccn34)nn1)CC2,-8.039
MOL_01_027394,Nc1cc(CC[C@H]([NH3+])c2ccccc2N[C@H]([NH3+])CCc2ccc(Cl)cc2)nc2cccn12,-8.038
MOL_01_026558,N[C@@]1([NH3+])CN(c2ccc(CCc3ccccc3)cn2)[C@@H]([NH3+])[C@@H]1C[NH3+],-8.038
MOL_02_015195,Cc1nccc(-c2ccc(N3CC[C@H](Cl)C3)c(C[NH3+])n2)n1,-8.037
MOL_02_020036,Cc1cc(N2CCN(c3ccc(C[NH3+])nc3)CC2)n2ncnc2n1,-8.037
MOL_02_029643,O[C@H]([NH2+][C@H](c1ccc(Cl)c(Cl)c1)C1CC[NH2+]CC1)c1ccc2cnccc2c1,-8.037
MOL_01_028324,NC(N)([NH3+])c1ccc(CCCn2cnc3ccccc32)c(Cl)c1,-8.035
MOL_01_026274,Cn1cc(C(=[NH2+])NCc2ccccc2ON)c(=[NH2+])c2cc(C[NH+]3CCCC3)ccc21,-8.034
MOL_02_000588,Oc1ccc(-c2cccc([C@H](O)c3ccc(Cl)c(O)c3)n2)cc1O,-8.033
MOL_01_029990,Cc1nc(CCC(=O)N2CCNC2=O)c(C[NH3+])c(C)c1C,-8.032
MOL_02_033546,Nc1c2c(-c3cccc(Cl)c3Cl)nc(NCC[NH+]3CCOCC3)nc2nn1Cc1ccccc1,-8.032
MOL_02_032404,C[C@@H]1CCN(c2nccn3nccc23)C[C@H]1[NH3+],-8.031
MOL_02_017689,Cc1cc(Nc2ncnc3ccc(N4CC[NH2+]C[C@H]4C)cc23)ccc1Cc1ccn2ncnc2c1,-8.031
MOL_02_009690,Cc1cccc(N[C@H](O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)c1,-8.031
MOL_02_001780,[O-][C@H](COCc1ccccc1)[NH2+][C@@H](Cc1ccc(O)cc1)C(O)O,-8.031
MOL_01_031060,CCCCCCCC[C@H]([NH3+])NCc1cc(C[NH3+])c(N)c(-c2ccccc2)c1,-8.03
MOL_02_001294,O[C@@H]1Nc2cnccc2CN1C1CC[NH+]([C@H](O)N[C@@H]2N[C@@H](c3ccccc3)c3ccccc3N(CC(Cl)(Cl)Cl)[C@H]2O)CC1,-8.03
MOL_02_023323,Cc1ccc([C@H](CC[NH2+]C(C)C)[C@H]([O-])[NH+]2CCN(c3ncnc4c3[C@@H](C)C[C@H]4O)CC2)c(Cl)c1,-8.029
MOL_02_001035,OCc1cc([C@H](O)C[NH2+]CCc2ccc(NC[C@H](O)c3ccccc3)cc2)ccc1O,-8.028
MOL_02_011484,[NH3+]Cc1cccnc1N1CCN(c2cncc3ncnn23)CC1,-8.028
MOL_02_019766,O[C@@H]1CN([C@@H](O)CC[C@@H](O)[NH2+]Cc2cccnc2-n2cncn2)c2ccccc2N1,-8.028
MOL_01_032810,N/C(CNC(=[NH2+])c1cccc(C(F)(F)F)c1)=[NH+]/[C@H]1CC[N@@H+](Cc2ccccc2Cl)C1,-8.027
MOL_02_033794,O=c1[nH]c2cncnc2n1CCCCC[NH+]1CCCCC1,-8.026
MOL_02_020713,N[C@@H]([NH3+])c1ccnc(N2CCn3cnnc3C2)n1,-8.026
MOL_02_023789,c1ccc(-n2ccnc2)c(CNc2ncnc3c2CC[NH2+]CC3)c1,-8.026
MOL_01_027124,C[C@@H](c1ccc2c(ccn2C)c1)c1ccc(C[NH3+])c(C[NH3+])c1C[NH3+],-8.025
MOL_01_032323,[NH3+]Cc1ccc(NC2=NC(=O)C3=NC=[NH+]C3=N2)cc1,-8.025
MOL_02_030295,Cc1nc2ncnn2c(N2CCC([NH+](C)C)CC2)c1C,-8.025
MOL_02_030782,C[NH2+][C@H](NCCCn1ccc2ccccc21)N1CCN(c2cnn(C)c2)[C@@H](O)C1,-8.024
MOL_02_033681,C[NH2+]CC1CCN(c2ccn3nccc3n2)CC1,-8.023
MOL_02_034771,Nc1ncnc2c1c(Cl)nn2[C@@H]1CCC[NH2+]C1,-8.023
MOL_02_012240,[NH3+]Cc1cc2ccccc2nc1-n1cccc1C[NH3+],-8.023
MOL_02_010043,Nc1ncnc(N2CCC(c3[nH+]c(-c4ccc(OC(Cl)Cl)c(Cl)c4)cn3CC[NH+]3CCC3)CC2)c1C[NH3+],-8.023
MOL_02_009607,O=c1cc(N2CCOCC2)nc(C[C@H](O)N2CCc3c(-c4ccccc4)cccc32)[nH]1,-8.023
MOL_01_029284,O[C@H]([NH2+]CCn1cc[nH+]c1)c1cc(N2CC2)c(NF)cc1NF,-8.023
MOL_01_024923,Cc1cc(-c2ncccc2-c2cc(C[NH3+])c(C[NH3+])c(C[NH3+])c2)ccc1C[NH3+],-8.022
MOL_02_004065,CC(C)[C@H](O)OC[C@H](CCn1cnc2c(=O)[nH]c(N)nc21)CO[C@H](O)[C@H]([NH3+])C(C)C,-8.022
MOL_01_027667,[NH3+]Cc1cc2c(cc1C[NH3+])C[N@H+](CCc1ccc(N[C@H]([NH3+])c3ccc4ccccc4n3)cc1)CC2,-8.02
MOL_01_027971,CCNc1ccccc1C[NH2+]Cc1c(C(N)=[NH2+])c(C)n(Cc2ccc(C)cc2)c1C,-8.02
MOL_01_031114,CC1CC[NH+]([C@H]([O-])CC[NH2+]Cc2ccc3c(c2)cc(O)n3C)CC1,-8.02
MOL_02_007560,Cc1ccc2c(NCCC[NH+]3CCN(CCC[NH2+][C@H](O)[C@@H]4CCc5ccccc5C4)CC3)cc[nH+]c2c1,-8.019
MOL_02_029573,Cc1c(N)ncnc1N1CCC(C[NH+]2CCCC2)CC1,-8.019
MOL_02_012665,[NH3+]C[C@H](Cc1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12)c1nnc(N2CCOCC2)n1-c1ccccc1,-8.018
MOL_02_002319,Cc1c(Cl)ccc([C@H](O)Nc2cc(N(O)O)ccc2NCC[NH3+])c1C,-8.018
MOL_02_005263,CCC(O)(O)c1ccc(C[C@H](O)Nc2ccc(C(C)(C)[C@H](O)Nc3cc[nH+]cc3)cc2)cc1,-8.017
MOL_02_015366,Oc1cccc2c1CCN2[C@H](O)Cc1nc(N2CCOCC2)cc[nH+]1,-8.017
MOL_02_009746,Cn1nccc1-c1coc([C@H](O)N[C@@H]2C[NH2+]CC[C@H]2c2ccccc2)c1,-8.015
MOL_02_029608,c1cnc(C[N@H+]2CC[C@@H](Nc3cccc4cnccc34)C2)nc1,-8.015
MOL_02_011374,Cn1cc(-c2ccc(Cl)c(C(Cl)(Cl)Cl)c2)[nH+]c1C1CCN(c2ncnc(N)c2-c2ccc(Cl)c(Cl)c2)CC1,-8.014
MOL_02_030096,c1cn2c(N3CC[NH2+]CC3)cncc2n1,-8.013
MOL_02_036110,Cc1nc2cnc3ccc(CCc4cccnc4)cc3c2n1-c1cccc(C[NH3+])c1,-8.013
MOL_02_006534,Cc1ccc(N[C@H](O)c2cc(C)ccc2N[C@H](O)c2ccc([C@@](C)(O)N[C@H](O)C[NH+]3CCC([C@H]([NH3+])O)CC3)cc2)[nH+]c1,-8.012
MOL_01_030117,CCC[C@H]([NH3+])[C@H]1CC[C@@H]([C@H]([NH3+])c2cc3c(ccc4ccccc43)cc2N)CC1,-8.012
MOL_01_029455,[NH2+]=C(NCc1ccc(F)cc1F)[C@H]1CCCN1C(=[NH2+])[C@H]1CCCN1C(=[NH2+])c1cccc(Cl)c1,-8.011