SMILES,csf1r
Cc1cc(-c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)[nH]n1,1.0
Cc1cc(-c2c(C3=CCCCCC3)c3cc(Cl)ccc3[nH]c2=O)on1,1.0
NC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3cccc(C(=O)N4CCCCC4)c3)ncc2c1=O,1.0
CONC(=O)c1cn(C2CCC(C)(C)CC2)c2nc(Nc3ccc([C@H]4CC[N@H+](C)CC4)cc3)ncc2c1=O,1.0
Cc1cc(-c2c(-c3ccccc3)c3cc(Cl)ncc3[nH]c2=O)on1,1.0
O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1-c1ccc[nH]1,1.0
CCc1ccc(-n2cc(C(=O)NOC)c(=O)c3cnc(Nc4ccc([C@H]5CC[N@H+](C)CC5)cc4)nc32)cc1,1.0
CCc1ccc(-c2c(-c3cnc(C)[nH]3)c(=O)[nH]c3ccc(Cl)cc23)cc1,1.0
CCc1ccc(-c2c(-c3cc(C)no3)c(=O)[nH]c3ccc(Cl)cc23)cc1,1.0
C[NH+]1CCN(c2ccc(Nc3ncc4c(=O)c(C(N)=O)cn(-c5ccccc5)c4n3)cc2)CC1,1.0
NC(=O)c1c[nH+]c2cc(-c3ccncc3)ccc2c1Nc1n[nH]c2ccccc12,1.0
NC(=O)c1cnc2cc(-c3ccncc3)ccc2c1Nc1cccc2[nH]ncc12,1.0
C[NH+]1CCN(c2ccc(Nc3ncc4c(=O)c(C(N)=O)cn(C5CCCCC5)c4n3)cc2)CC1,1.0
Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH+][nH]c(N)c34)cc2)c1,1.0
Cc1cc(-c2c(C3CCCCC3)c3cc(Cl)ccc3[nH]c2=O)on1,1.0
CONC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc([C@H]4CC[N@H+](C)CC4)cc3)ncc2c1=O,1.0
C[NH+]1CCN(c2cccc(Nc3ncc4c(=O)c(C(N)=O)cn(-c5ccc6c(c5)CCC6)c4n3)c2)CC1,1.0
NC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc(C[C@H]4COC(=O)N4)cc3)ncc2c1=O,1.0
Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1C(=O)Nc1cnc(Nc2ccc(N3CC[NH+](C)CC3)cc2)nc1,1.0
Cc1ccc(NC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)cc1-c1ccc2ccncc2c1,1.0
CN1C(=O)CC(c2ccc(NC(=O)c3nc(C#N)c[n-]3)c(C3=CCCCC3)c2)CC1=O,1.0
CONC(=O)c1cn(C2CCCCC2)c2nc(Nc3ccc(CC[NH+]4CCCC4)cc3)ncc2c1=O,1.0
C[NH+]1CCN(c2ccc(Nc3cc4c(cn3)c(=O)c(C(N)=O)cn4-c3ccc4c(c3)CCC4)cc2)CC1,1.0
CONC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc(CCS(=O)(=O)/N=C(/C)[O-])cc3)ncc2c1=O,1.0
Cc1nnc(-c2ccc(-c3cc(C(=O)Nc4cccc(N5CCOCC5)c4)ccc3C)c(C)c2)o1,1.0
C[NH+]1CCN(c2ccc(Nc3ncc4c(=O)c(C(N)=O)cn(C5CCCC5)c4n3)cc2)CC1,1.0
Cc1ccc(NC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)cc1-c1ccc2c(N)noc2c1,1.0
Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1cccnc1,1.0
NC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc(N4CC[NH2+]CC4)cc3)ncc2c1=O,1.0
CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3cc4ccccc4cn3)cc2)no1,1.0
Cc1cccc(C(=O)Nc2cccc([C@H](C)Nc3cncc(Cl)n3)c2)c1,1.0
NC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc(CN4CCOCC4)cc3)ncc2c1=O,1.0
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)c1cccnc1,1.0
Cc1ccc(NC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,1.0
Cc1cccc(NC(=O)Nc2ccc(-c3cnc4c(-c5cnn(C)c5)ccn4c3N)cc2)c1,1.0
Cc1cccc(NC(=O)Nc2ccc(-c3cncc4c3c(N)nn4C)cc2)c1,1.0
N#Cc1c[n-]c(C(=O)Nc2ccc(-c3ccc[n+]([O-])c3)cc2C2=CCCCC2)n1,1.0
CC[N@@H+]1CCC[C@@](O)(c2cccc(Nc3ncc4c(=O)c(C(=O)NOC)cn(-c5ccc6c(c5)CCC6)c4n3)c2)C1,1.0
COc1cc2[nH+]ccc(Oc3ccc4c(C(=O)Nc5ccc(Cl)cc5)cccc4c3)c2cc1OC,1.0
NC(=O)c1cnc2cc(-c3ccc(C(=O)C4CC4)cc3)ccc2c1Nc1ccccc1,1.0
Cc1ccc(Nc2c(C(N)=O)cnc3cc(-c4ccc(S(C)(=O)=O)cc4)ccc23)cc1C,1.0
CNC(=O)c1cn(Cc2ccccc2)c2nc(Nc3ccc(N4CC[NH+](C)CC4)cc3)ncc2c1=O,1.0
N#Cc1c[n-]c(C(=O)Nc2ccc(-c3cccnc3)cc2C2=CCCCC2)n1,1.0
C[NH+]1CCN(Cc2ccc(Nc3ncc4c(=O)c(C(N)=O)cn(-c5ccc6c(c5)CCC6)c4n3)cc2)CC1,1.0
CN1CC(c2ccc(NC(=O)c3nc(C#N)c[n-]3)c(C3=CCC(C)(C)CC3)c2)CN(C)C1=O,1.0
O=C(Nc1ccc(Cl)c(C(=O)Nc2cnc(C3CC3)s2)c1)c1cccc(C(F)(F)F)c1,1.0
CO[C@H]1[C@H](N(C)C(=O)c2ccccc2)C[C@@H]2O[C@@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O,1.0
COc1ccc(-c2ccc(NC(=O)Nc3cc(C)ccc3F)cc2)c2c(N)noc12,1.0
C[NH+]1CCN(c2ccc(NC(=O)c3ccc(C#N)o3)c(C3=CCCCC3)c2)CC1,1.0
Cc1cccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c34)cc2)c1,1.0
Cc1ccc(NC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)cc1-c1ccc(-c2csc(N)n2)cc1,1.0
CONC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc(CCN4CCC(F)(F)CC4)cc3)ncc2c1=O,1.0
Nc1ncc(-c2ccc(C(=O)N3CCC[C@H]3C[NH+]3CCCC3)cc2)nc1OCc1c(Cl)cccc1Cl,1.0
Nc1ncc(-c2ccc(C(=O)N3CCC[C@H]3C[NH+]3CCCC3)cc2)nc1NCc1c(Cl)cccc1Cl,1.0
CCONC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc(CCN4CC[NH+](C)CC4)cc3)ncc2c1=O,1.0
N#Cc1c[n-]c(C(=O)Nc2ccc(-c3ccccn3)cc2C2=CCCCC2)n1,1.0
COc1cc2c(Nc3cccc(Cl)c3Cl)c(C(N)=O)c[nH+]c2cc1NCC[NH+]1CCCCC1,1.0
N#Cc1c[n-]c(C(=O)Nc2ccc(-c3cc[n+]([O-])cc3)cc2C2=CCCCC2)n1,1.0
CN1CC(c2ccc(NC(=O)c3nc(C#N)c[n-]3)c(C3=CCCCCC3)c2)CN(C)C1=O,1.0
CN1CC(c2ccc(NC(=O)c3nc(C#N)c[n-]3)c(C3=CCCCC3)c2)CN(C)S1(=O)=O,1.0
CONC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc(CC[N@@H+]4CCNC(=O)C4)cc3)ncc2c1=O,1.0
Nc1[nH+]cc(-c2cccnc2)c2scc(-c3ccc(F)c(Cl)c3)c12,1.0
C[NH+]1CCN(c2ccc(NC(=O)c3ccc(C#N)o3)c(C3=CCOCC3)c2)CC1,1.0
O=C(Nc1cccc(-c2cncc3ccccc23)c1)c1ccccc1NCc1ccncc1,1.0
COc1ccc(COc2ncc(Oc3nc(-c4cnn(C)c4)cnc3N)cc2OC)cc1,1.0
N#Cc1c[n-]c(C(=O)Nc2ccc(-c3ccncc3)cc2C2=CCCCC2)n1,1.0
COc1cc2ncnc(N(C)c3cccc(C)c3)c2cc1OC,1.0
CCCCNc1ncc2c(=O)c(C(=O)NOC)cn(-c3ccc4c(c3)CCC4)c2n1,1.0
CONC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc(CCN4CCOCC4)cc3)ncc2c1=O,1.0
CN(C)S(=O)(=O)c1ccc(-c2ccc(NC(=O)c3nc(C#N)c[n-]3)c(C3=CCCCC3)c2)cc1,1.0
CONC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc(OC)nc3)ncc2c1=O,1.0
NC(=O)c1cnc2cc(-c3ccc(C(=O)N4CCCCC4)cc3)ccc2c1Nc1ccccc1,1.0
CONC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(NCc3ccccc3)ncc2c1=O,1.0
C[NH+]1CCN(CC(=O)Nc2cccc3c2Cc2c-3n[nH]c2-c2csc(C#CCOc3ccccc3)c2)CC1,1.0
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1,1.0
CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3cn4c(n3)sc3ccccc34)cc2)no1,1.0
CC1CCN(c2cc(C3=CC[NH2+]CC3)ccc2NC(=O)c2ccc(C#N)o2)CC1,1.0
COc1ccc(COc2ccc(COc3nc(-c4cnn(C)c4)cnc3N)cc2OC)cc1,1.0
C[NH+]1CCN(Cc2ccc3c(c2)Cc2c(-c4csc(C#CCOc5ccccc5)c4)n[nH]c2-3)CC1,1.0
O=C(Nc1ccc(Cl)c(C(=O)Nc2cccnc2)c1)c1ccc(Cl)c(Cl)c1,1.0
CC1CCN(c2cc(-c3ccncc3)ccc2NC(=O)c2ccc(C#N)o2)CC1,1.0
COc1ccc(COc2ncc(COc3nc(-c4cnn(C)c4)cnc3N)cc2OC)cc1,1.0
NC(=O)c1cnc2cc(-c3ccc(C(=O)C4CCCC4)cc3)ccc2c1Nc1ccccc1,1.0
COc1ccc(COc2cnc(COc3nc(-c4cnn(C)c4)cnc3N)cc2OC)cc1,1.0
CC1CCN(c2cc(C3CC[NH2+]CC3)ccc2NC(=O)c2ccc(C#N)o2)CC1,1.0
COc1cc2c(Nc3ccc(F)cc3F)c(C(N)=O)c[nH+]c2cc1N1CC[NH+](C)CC1,1.0
NC(=O)c1cnc2cc(-c3ccc(C(=O)N4CCOCC4)cc3)ccc2c1Nc1ccccc1,1.0
C[C@H](Nc1cncc(Cl)n1)c1cccc(NC(=O)c2cncc(Br)c2)c1,1.0
Cc1cncc(C(=O)Nc2cccc([C@H](C)Nc3cncc(Br)c3)c2)c1,1.0
N#Cc1cnc(C(=O)Nc2ccc(C3CC[NH2+]CC3)cc2C2=CCCC2)[n-]1,1.0
Cc1ccccc1-c1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc(C#N)o1,1.0
COc1cc2c(Nc3ccc(F)c(Cl)c3)c(C(N)=O)cnc2cc1OCC[NH2+]C1CC1,1.0
COc1cc2c(Nc3ccc(F)c(Cl)c3)c(C(N)=O)cnc2cc1OCC[N@H+]1CC[C@H](O)CC1,1.0
COCC(=O)Nc1cccc2c1Cc1c-2n[nH]c1-c1csc(C#CCOc2ccccc2)c1,1.0
CC(=O)N1CCC(c2ccc(NC(=O)c3ncc(C#N)[n-]3)c(C3=CCS(=O)(=O)CC3)c2)CC1,1.0
C[NH+]1CCN(c2ccc(NC(=O)c3ccc(C#N)o3)c(N3CCOCC3)c2)CC1,1.0
CC(=O)N1CCN(c2ccc(NC(=O)c3cc(C#N)c[nH]3)c(N3CCC(C)CC3)c2)CC1,1.0
N#Cc1ccc(C(=O)Nc2ccc(-n3ccnc3)cc2N2CCCCC2)o1,1.0
CN(C(=O)N1CC[NH+](C)CC1)c1ccc(NC(=O)c2ccc(C#N)o2)c(N2CCCCC2)c1,1.0
COc1cc2c(Nc3ccc(F)c(Cl)c3)c(C(N)=O)cnc2cc1OCCCN1CC[NH+](C)CC1,1.0
N#Cc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2N2CCCCC2)o1,1.0
Cc1cnn(-c2ccc(NC(=O)c3ccc(C#N)o3)c(N3CCCCC3)c2)c1,1.0
O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1NCc1ccncc1,1.0
CC1CCN(c2cc(C#CCN3CCOCC3)ccc2NC(=O)c2ccc(C#N)o2)CC1,1.0
Cc1sccc1-c1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc(C#N)o1,1.0
CC1CCN(c2nc(N3CC[NH+](C)CC3)ccc2NC(=O)c2ccc(C#N)o2)CC1,1.0
Cc1ccsc1-c1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc(C#N)o1,1.0
CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3ncccc3[O-])cc2)no1,1.0
CC1CCN(c2cc(/C=C/C(=O)[O-])ccc2NC(=O)c2ccc(C#N)o2)CC1,1.0
COc1cc2[nH+]cc(C(N)=O)c(Nc3ccc(Cl)c(Cl)c3)c2cc1N1CC[NH+](C)CC1,1.0
CC1CCN(c2cc(N3CCN(CCO)CC3)ccc2NC(=O)c2ccc(C#N)o2)CC1,1.0
CC1CCN(c2cc(N3CCOCC3)ccc2NC(=O)c2ccc(C#N)o2)CC1,1.0
O=C(Nc1ccccc1N1CCCCC1)c1ccno1,1.0
N#Cc1ccc(C(=O)Nc2cc(N3CCCCC3)ccc2N2CCCCC2)o1,1.0
CC1CCN(c2cc(N3CC[NH+](C)CC3)cnc2NC(=O)c2ccc(C#N)o2)CC1,1.0
COc1cc2[nH+]cc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1NCCN1CCOCC1,1.0
C[NH+]1CCN(Cc2ccc(N3CCCCC3)c(NC(=O)c3ccc(C#N)o3)c2)CC1,1.0
N#Cc1c[nH]c(C(=O)Nc2ccccc2N2CCCCC2)c1,1.0
COc1cc2ncc(C(N)=O)c(Nc3ccc(F)c(Cl)c3)c2cc1OCC[NH+]1CCCC1,1.0
C[NH+]1CCN(c2ccccc2NC(=O)c2ccc([N+](=O)[O-])o2)CC1,1.0
COc1cc2c(Nc3ccc(F)c(Cl)c3)c(C(N)=O)cnc2cc1OCC[NH+]1CCCC1,1.0
CCOc1cc2[nH+]cc(C(N)=O)c(Nc3cccc(Cl)c3Cl)c2cc1NCC[NH+]1CCCCC1,1.0
COc1cc2ncc(C(N)=O)c(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CC[NH+](C)CC1,1.0
CN1CC(c2ccc(NC(=O)c3nc(C#N)c[n-]3)c(C3=CCC(C)(C)CC3)c2)CN(C)C1=NC#N,1.0
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(N[C@@H]4CCC[C@H]4O)nc32)[C@H](O)[C@@H]1O,0.0
Nc1nc2c(cnn2CC[N@@H+]2CCc3ncc(-c4ccccc4)cc3C2)c2nc(-c3ccco3)nn12,0.0
Nc1nc(OCCc2ccc3ccccc3c2)nc2c1ncn2[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O,0.0
Nc1nc(-c2ccc(Br)o2)c2c(n1)-c1cc(-c3ccccc3)ccc1C2,0.0
OC[C@H]1O[C@H](n2cnc3c(NCC4c5ccccc5-c5ccccc54)ncnc32)[C@H](O)[C@@H]1O,0.0
[H]/N=c1\[nH]c(N2CC[N@@H+]3C[C@H](COc4ccc5ccccc5n4)CC[C@H]3C2)nc2nc(-c3ccco3)nn12,0.0
Nc1nc(OCCc2cccc3ccccc23)nc2c1ncn2[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O,0.0
COc1ccc(NC(=O)/[NH+]=N\Nc2nc(N)c3ncn([C@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1,0.0
C[NH+]1CCN(C(=O)c2ccc3c(c2)-c2nc(N)nc(-c4ccccc4)c2C3=O)CC1,0.0
Nc1nc(NCCc2ccc3c(c2)CCCC3)nc2c1ncn2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O,0.0
[H]/N=c1/[nH]c(N2CC[N@@H+]3C[C@@H](COc4ncnc5ccccc45)CC[C@H]3C2)nc2nc(-c3ccco3)nn12,0.0
Nc1nc(-c2cccc(-c3ccccc3)c2)cc2nc(-c3ccco3)nn12,0.0
CC(C)[N@H+]1CC[C@H](NC(=O)c2ccc3c(c2)-c2nc(N)nc(-c4ccccc4)c2C3=O)CC1,0.0
Nc1nc(-c2ccccc2)c2c(n1)-c1cc(CNN3CCC(=O)CC3)ccc1C2=O,0.0
COc1ccc2c(c1)C[N@@H+](CCn1ncc3c1nc(N)n1nc(-c4ccco4)nc31)C2,0.0
COc1ccc(-c2ccc(CCn3ncc4c3nc(N)n3nc(-c5ccco5)nc43)cc2)cc1,0.0
Cc1ccc(/C=N/Nc2nc(N)c3ncn([C@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1,0.0
C[NH+]1CCN(NCc2ccc3c(c2)-c2nc(N)nc(-c4ccccc4)c2C3=O)CC1,0.0
C[NH+]1CCN(c2ccc3c(c2)-c2nc(N)nc(-c4ccccc4)c2C3=O)CC1,0.0
CC(=O)N1CCN(Cc2cccc3c2-c2nc(N)nc(-c4ccccc4)c2C3=O)CC1,0.0
C[N@@H+]1CCCN(c2ccc3c(c2)-c2nc(N)nc(-c4ccccc4)c2C3=O)CC1,0.0
Nc1nc(-c2ccccc2)c2c(n1)-c1cc(CN[NH+]3CCCCCC3)ccc1C2=O,0.0
Nc1nc(-c2ccccc2)c2c(n1)-c1cc(CN[NH+]3CCCCC3)ccc1C2=O,0.0
CCCCn1cc2c(nc(NC(=O)Cc3ccc4ccccc4c3)n3nc(-c4ccco4)nc23)n1,0.0
Nc1nc(-c2ccccc2)c2c(n1)-c1cc(N3CCOCC3)ccc1C2=O,0.0
Nc1nc(-c2ccccc2)c2c(n1)-c1cc(CNN3CCOCC3)ccc1C2=O,0.0
OC[C@H]1O[C@@H](n2cnc3c(NCc4cccc5ccccc45)nc(NC4CCCC4)nc32)[C@H](O)[C@@H]1O,0.0
Nc1nc2c(cnn2CCc2cccc(-c3cccnc3)c2)c2nc(-c3ccco3)nn12,0.0
Nc1nc(-c2ccco2)c2ncn(Cc3ccc4ccccc4c3)c2n1,0.0
Nc1nc(-c2ccccc2)c2c(n1)-c1c(C[NH+]3CCCCCC3)cccc1C2=O,0.0
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(/C=C/CCCc4ccccc4)nc32)[C@H](O)[C@@H]1O,0.0
Cc1ccc2c(c1)-c1nc(N)nc(-c3ccccc3)c1C2,0.0
Nc1nc(-c2ccccc2)c2c(n1)-c1c(C[NH+]3CCCCC3)cccc1C2=O,0.0
Nc1nc(-c2ccccc2)c2c(n1)-c1cc(C(=O)NCCN3CCOCC3)ccc1C2=O,0.0
O=C(COc1ccc(Cl)cc1)Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12,0.0
Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3ccc(S(N)(=O)=O)cc3)nc12,0.0
Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3ccc(C(=O)N4CCS(=O)(=O)CC4)cc3)nc12,0.0
c1ccc(COc2ccc3c(-c4nc5cc(N6CCC([NH+]7CCCCC7)CC6)ccc5[nH]4)n[nH]c3c2)cc1,0.0
Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3ccc(C(=O)NCC[NH+]4CCCC4)cc3)nc12,0.0
Cc1cc(-c2cccc3[nH]ccc23)cc2nnc(Nc3ccc(S(=O)(=O)NCC[NH+]4CCCC4)cc3)nc12,0.0
Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3ccc(S(=O)(=O)N4CC[NH2+]CC4)cc3)nc12,0.0
Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3ccc(C(=O)N4CC[NH+](C)CC4)cc3)nc12,0.0
Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1Nc1nccc(-c2cccnc2)n1,0.0
c1ccc2c(-c3nc4cc(N5CCC([NH+]6CCCCC6)CC5)ccc4[nH]3)n[nH]c2c1,0.0
Cc1ccc(Nc2ncc3c(n2)N(C)C(=O)N(c2cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc2C)C3)cn1,0.0
c1ccc(Oc2ccc3n[nH]c(-c4nc5cc(N6CCC([NH+]7CCCCC7)CC6)ccc5[nH]4)c3c2)cc1,0.0
c1ccc(CNc2ccc3[nH]nc(-c4nc5cc(N6CCC([NH+]7CCCCC7)CC6)ccc5[nH]4)c3c2)cc1,0.0
c1ccc(C[N@H+]2CC[C@H](Nc3ccc4n[nH]c(-c5nc6ccc(N7CCC([NH+]8CCCCC8)CC7)cc6[nH]5)c4c3)CC2)cc1,0.0
Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1N1Cc2cnc(Nc3ccccc3)nc2N(C)C1=O,0.0
CC(C)(C)NC(=O)Nc1ccc2[nH]nc(-c3nc4cc(N5CCC([NH+]6CCCCC6)CC5)ccc4[nH]3)c2c1,0.0
Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1N1Cc2cnc(N)nc2N(C)C1=O,0.0
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12,0.0
Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1,0.0
Nc1ncnc2c1c(-c1cccc(O)c1)cn2C1CCCC1,0.0
COc1cc2[nH+]ccc(Oc3ccc4c(C(=O)NC5CC5)cccc4c3)c2cc1OC,0.0
O=C(Nc1ccc2[nH]nc(-c3nc4cc(N5CCC([NH+]6CCCCC6)CC5)ccc4[nH]3)c2c1)c1ccco1,0.0
Cc1ccc(NC(=O)Nc2cccc(N3CCCC3)c2)cc1Nc1nccc(-c2cccnc2)n1,0.0
Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1C(=O)Nc1cnc(Nc2ccc(N3CC[NH+](C)CC3)cc2)nc1,0.0
Cc1cn(-c2cc(NC(=O)c3ccc(C)c(/C=C/N4CNc5c(NC6CC6)ncnc54)c3)cc(C(F)(F)F)c2)cn1,0.0
C[NH+]1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1,0.0
Nc1ncnc2c1c(-c1cccc(O)c1)cn2C1CCC1,0.0
Cc1cccc(C)c1/C=C/n1cnc2c(Nc3ccc(P(C)(C)=O)cc3)nc(C3CCCC3)nc21,0.0
COc1cc2[nH]nc(-c3nc4cc(N5CCC([NH+]6CCCCC6)CC5)ccc4[nH]3)c2cc1OCc1ccccc1,0.0
Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccn2)cc1/C=C/n1cnc2cncnc21,0.0
COC(=O)CN1CC[C@@H](n2cc(-c3cccc(O)c3)c3c(N)ncnc32)C1,0.0
Cc1cccc(C)c1/C=C/n1cnc2c(Nc3ccc(P(C)(C)=O)cc3)nc([C@H]3CC[N@H+](C)CC3)nc21,0.0
CNc1ncc2c(n1)N(C)C(=O)N(c1cc(NC(=O)c3cc(-n4cnc(C)c4)cc(C(F)(F)F)c3)ccc1C)C2,0.0
COc1ccccc1Oc1ccc2n[nH]c(-c3nc4ccc(N5CCC([NH+]6CCCCC6)CC5)cc4[nH]3)c2c1,0.0
Cc1ccc(C(=O)Nc2cc(-n3cnc(C[NH+]4CCCC4)c3)cc(C(F)(F)F)c2)cc1C#Cc1cnc2ccccn12,0.0
Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3ccc(S(=O)(=O)N(C)CCN4CCOCC4)cc3)nc12,0.0
c1coc(CNc2ccc3n[nH]c(-c4nc5ccc(N6CCC([NH+]7CCCCC7)CC6)cc5[nH]4)c3c2)c1,0.0
Cc1ccc(C(=O)Nc2cc(-n3ccnc3)cc(C(F)(F)F)c2)cc1C#Cc1cnc2c(N)cccn12,0.0
Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3ccc(S(=O)(=O)N(C)CC[NH+]4CCCC4)cc3)nc12,0.0
O=C1c2ccccc2C(=O)c2cc(CN(C[C@H](O)C(=O)[O-])C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(=O)[O-])ccc21,0.0
O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-])[C@@H](CS)[C@H]1CCc2cc(-c3ccccc3)ccc21,0.0
O=C1c2ccccc2-c2ccc(CN(C[C@H](O)C(=O)[O-])C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(=O)[O-])cc21,0.0
O=C(N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1CCC[C@H]1C(=O)[O-])[C@@H](S)Cc1ccccc1,0.0
C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)[O-])P(=O)([O-])[O-],0.0
O=C(N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1CCC[C@H]1C(=O)[O-])[C@@H](S)c1ccc2c(c1)OCO2,0.0
O=C([O-])[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@H](Cc1ccc2c(c1)OCO2)[NH2+]CP(=O)([O-])[O-],0.0
O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-])[C@@H](CS)c1cccc(-c2ccccc2)c1,0.0
O=C(N[C@@H]1CCc2cccc3c2N(C1=O)[C@H](C(=O)[O-])C3)[C@@H](CS)Cc1ccc(-c2ccccc2)cc1,0.0
O=C([O-])[C@H](CCc1ccccc1)[NH2+][C@@H]1Cc2ccccc2C2CCC[C@H](C(=O)[O-])N2C1=O,0.0
C[C@H](NC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)C[P@](=O)([O-])[C@H]([NH3+])Cc1ccccc1)C(=O)[O-],0.0
O=C([O-])[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@H](Cc1cccs1)[NH2+]CP(=O)([O-])[O-],0.0
O=C([O-])[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@H](Cc1ccc2ccccc2c1)[NH2+]CP(=O)([O-])[O-],0.0
O=C([O-])[C@H](CCc1ccccc1)[NH2+][C@@H]1Cc2ccccc2[C@@H]2COC[C@H](C(=O)[O-])N2C1=O,0.0
O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-])[C@@H](CS)c1cccc2ccccc12,0.0
O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-])[C@@H](CS)c1ccc(-c2ccccc2)cc1,0.0
O=C([O-])CN1C(=O)[C@@H]([NH2+][C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])CCc2ccccc21,0.0
C[C@H](C[Si](O)(O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)[O-],0.0
O=C([O-])CN1Cc2ccccc2C[C@@H]([NH2+][C@H](CCc2ccccc2)C(=O)[O-])C1=O,0.0
O=C(N[C@H](CCC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])C(=O)[O-])OCc1ccccc1,0.0
CC(C)CN(C[P@@](=O)([O-])O)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-],0.0
O=C([O-])[C@H](Cc1cccc2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](S)Cc1ccccc1,0.0
C[C@H](c1ccc2ccccc2c1)[C@H](CS)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-],0.0
C[C@H](OCc1ccccc1)[C@H]([NH2+]CP(=O)([O-])[O-])C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)[O-],0.0
C[C@@H]([NH2+][C@H](CCc1ccccc1)C(=O)[O-])C(=O)N1Cc2ccccc2[C@@H]1C(=O)[O-],0.0
O=CN(O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCc2ccccc2N(CC(=O)[O-])C1=O,0.0
O=C(N[C@@H](Cc1ccc2ccccc2c1)C(=O)N1CCC[C@H]1C(=O)[O-])[C@@H](S)Cc1ccccc1,0.0
C[C@@H]([NH2+][C@H](CCc1cccc2ccccc12)C(=O)[O-])C(=O)N1CCC[C@@H]1C(=O)[O-],0.0
O=C([O-])CN1C[C@@H](c2ccccc2)SC[C@H]([NH2+][C@@H](CCc2ccccc2)C(=O)[O-])C1=O,0.0
CC(C)[C@H](S)C(=O)NC1(C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)[O-])CCCC1,0.0
CC(C)C[C@H](NC(=O)c1ccccc1)[Si](O)(O)C[C@H](C)C(=O)N1CCC[C@H]1C(=O)[O-],0.0
CC[C@H](C)[C@H](NC(=O)[C@@H](S)c1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-],0.0
O=C(N[C@H](CCC(=O)N1c2ccccc2C[C@H]1C(=O)[O-])C(=O)[O-])c1ccccc1,0.0
CC(C)[C@H](S)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-],0.0
O=C(N[C@@H](Cc1ccccc1)C(=O)CNCC(=O)N1CCC[C@H]1C(=O)[O-])c1ccccc1,0.0
c1cc(CCNc2c3c([nH+]c4ccccc24)CCCC3)nc(CCNc2c3c([nH+]c4ccccc24)CCCC3)c1,0.0
c1cc(CCNc2c3c([nH+]c4ccccc24)CCCC3)cc(CCNc2c3c([nH+]c4ccccc24)CCCC3)c1,0.0
c1ccc2c(NCCCN3CC[NH+](CCCNc4c5c([nH+]c6ccccc46)CCCC5)CC3)c3c([nH+]c2c1)CCCC3,0.0
c1ccc2c(NCCc3ccc(CCNc4c5c([nH+]c6ccccc46)CCCC5)cc3)c3c([nH+]c2c1)CCCC3,0.0
COc1cc2c(cc1OC)C(=O)[C@@H](C[C@H]1CC[N@H+](CCNc3c4c([nH+]c5cc(Cl)ccc35)CCCC4)CC1)C2,0.0
[NH3+][C@@H](CCC(=O)NCCNc1c2c([nH+]c3ccccc13)CCCC2)C(=O)NCCNc1c2c([nH+]c3ccccc13)CCCC2,0.0
CC1=C[C@@H]2Cc3[nH+]c4cc(Cl)ccc4c(NCCCCCCNc4c5c([nH+]c6ccccc46)CCCC5)c3[C@H](C1)C2,0.0
O=C(C[NH+]1CCCC1)Nc1ccc2nc3c4[nH]c5ccccc5c4ccn3c(=O)c2c1,0.0
COc1cc2c(cc1OC)C(O)=CC(=C1C=CC(=[N+]3CCCCC3)C=C1)O2,0.0
O=C(NCCNc1c2c([nH+]c3ccccc13)CCCC2)C(=O)NCCNc1c2c([nH+]c3ccccc13)CCCC2,0.0
COc1cc2c(cc1OC)C(=O)[C@@H](C[C@H]1CC[N@H+](CCCNc3c4c([nH+]c5cc(Cl)ccc35)CCCC4)CC1)C2,0.0
O=C(NC(=S)NCC[C@H]1CC[N@H+](Cc2ccccc2)CC1)c1ccc2c(c1)C(=O)c1ccccc1C2=O,0.0
O=C(Nc1ccc2c(c1)C(=O)N(CC[C@H]1CC[N@H+](Cc3ccccc3)CC1)C2=O)c1ccccc1,0.0
CC1=C[C@@H]2Cc3[nH+]c4cc(Cl)ccc4c(NCCCCCCCNc4c5c([nH+]c6ccccc46)CCCC5)c3[C@H](C1)C2,0.0
O=C(CC[C@H]1CC[N@H+](Cc2ccccc2)CC1)c1ccc2c(c1)CCCN2c1ccccc1,0.0
O=C(CC[NH+]1CCCCC1)Nc1ccc2nc3n(c(=O)c2c1)CCc1c-3[nH]c2ccccc12,0.0
O=C(CNc1c2c([nH+]c3ccccc13)CCCC2)NCCC1CCN(c2ccccc2)CC1,0.0
COc1cc2c(cc1OC)C(=O)[C@@H](CC1CCN(c3ccccc3)CC1)C2,0.0
c1ccc(C[N@H+]2CC[C@H](CCNc3ccc(-c4ccc5ccccc5c4)n[nH+]3)CC2)cc1,0.0
O=C(CNc1c2c([nH+]c3ccccc13)CCCC2)NCC1CCN(c2ccccc2)CC1,0.0
O=C(Nc1ccc2c(CC[C@H]3CC[N@H+](Cc4ccccc4)CC3)noc2c1)c1ccccc1,0.0
O=C(CC[NH+]1CCCC1)Nc1ccc2nc3n(c(=O)c2c1)CCc1c-3[nH]c2ccccc12,0.0
O=C(c1ccccc1)c1ccc2c(c1)C(=O)N(CC[C@H]1CC[N@H+](Cc3ccccc3)CC1)C2=O,0.0
O=C(NCc1ccccc1)c1ccc2c(c1)C(=O)N(CC[C@H]1CC[N@H+](Cc3ccccc3)CC1)C2=O,0.0
c1ccc2c(CCCCCCCCNc3c4c([nH+]c5ccccc35)CCCC4)c3c([nH+]c2c1)CCCC3,0.0
COc1cc2c(cc1OC)C(=O)[C@@H](C[C@H]1CC[N@H+](Cc3ccccc3)CC1)C2,0.0
O=C(CCCNc1c2c([nH+]c3ccccc13)CCCC2)CCCNc1c2c([nH+]c3ccccc13)CCCC2,0.0
c1ccc(C[N@H+]2CC[C@H](CCNc3cc4ccc5ccccc5c4nn3)CC2)cc1,0.0
c1ccc(C[N@H+]2CC[C@H](CCNc3cc4c(nn3)-c3ccccc3CC4)CC2)cc1,0.0
c1ccc2c(NCCCCCNc3c4c([nH+]c5ccccc35)CCCC4)c3c([nH+]c2c1)CCCC3,0.0
Cn1cc(C(=O)NCCCCCCCNc2c3c([nH+]c4cc(Cl)ccc24)CCCC3)c2ccccc21,0.0
O=C(NCCCCCCCNc1c2c([nH+]c3cc(Cl)ccc13)CCCC2)c1n[nH]c2ccccc12,0.0
O=C(Nc1ccccc1)c1ccc2c(c1)C(=O)N(CC[C@H]1CC[N@H+](Cc3ccccc3)CC1)C2=O,0.0
c1ccc2c(NCCOCCOCCNc3c4c([nH+]c5ccccc35)CCCC4)c3c([nH+]c2c1)CCCC3,0.0
O=C(CC[C@H]1CC[N@H+](Cc2ccccc2)CC1)c1ccc2c(c1)CCN2Cc1ccccc1,0.0
CC1=C[C@@H]2Cc3[nH+]c4cc(Cl)ccc4c(NCCCCCCCCNc4c5c([nH+]c6ccccc46)CCCC5)c3[C@H](C1)C2,0.0
COc1cc(/C=C/C(=O)NCCNc2c3c([nH+]c4ccccc24)CCCC3)ccc1O,0.0
Cc1cc(COc2ccc(C3(N4CC[NH+](CCCc5ccccc5)CC4)C(=O)NC(=O)NC3=O)cc2)c2ccccc2n1,0.0
O=C1NC(=O)[C@](CN2Cc3ccc(F)cc3C2=O)(c2ccc(-c3ccc4ncccc4c3)cc2)N1,0.0
Cc1cc(COc2ccc(C3(N4CCN(CCc5ccccc5)CC4)C(=O)NC(=O)NC3=O)cc2)c2ccccc2n1,0.0
Cc1cc(COc2ccc(C(=O)N[C@@H]3CN(C(=O)c4cccnc4)CC34C(=O)NC(=O)NC4=O)cc2)c2ccccc2n1,0.0
O=C(NO)[C@H]1CN(C(=O)c2cccs2)c2ccccc2CN1S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1,0.0
CC(=O)c1ccc(N2CCN(C3(c4ccc(OCc5cc(C)nc6ccccc56)cc4)C(=O)NC(=O)NC3=O)CC2)cc1,0.0
Cc1cc(COc2ccc(S(=O)(=O)C3(C(=O)NO)CCN(C(=O)c4ccccc4)CC3)cc2)c2ccccc2n1,0.0
O=C(NO)[C@H]1C[C@]1(Cc1ccc(OCc2cc(-c3ccccc3)nc3ccccc23)cc1)C(=O)N1CC[C@H](O)C1,0.0
Cc1cc(COc2ccc(NC(=O)[C@H]3C[NH2+]CC[C@@H]3C(=O)NO)cc2)c2ccccc2n1,0.0
COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cnc5c(ccn5C)c4)cc3)NC(=O)NC1=O)C2,0.0
Cc1cc(Cc2cccc(C(=O)N[C@@H]3COC[C@@H]3C(=O)NO)c2)c2ccccc2n1,0.0
O=C(N[C@@H]1CCOC[C@@H]1C(=O)NO)c1ccc(Cc2cc(C3CC3)nc3ccccc23)cc1,0.0
COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cccc(-c5csc(C)n5)c4)cc3)NC(=O)NC1=O)C2,0.0
O=C(NO)[C@]1(S(=O)(=O)c2ccc(-c3ccco3)cc2)CC[N@@H+](Cc2ccccc2)CC1,0.0
Cc1cc(COc2ccc(NC(=O)[C@H]3CCN(C(=O)C(C)C)C[C@@H]3C(=O)NO)cc2)c2ccccc2n1,0.0
Cc1cc(COc2ccc(C(=O)NCC3(C4CCN(C(=O)C(C)(C)C)CC4)C(=O)NC(=O)NC3=O)cc2)c2ccccc2n1,0.0
Cc1cc(COc2ccc(C(=O)N[C@@H]3COCC[C@@H]3C(=O)NO)cc2)c2ccccc2n1,0.0
Cc1cc(COc2ccc([C@]3(C)CCN([C@H](C)C(=O)NO)C3=O)cc2)c2ccccc2n1,0.0
Cc1cc(COc2ccc(C(=O)N[C@@H]3C[NH2+]CC[C@@H]3C(=O)NO)cc2)c2ccccc2n1,0.0
Cc1cc(COc2ccc(C(=O)NC3(CC(=O)NO)CCN(S(C)(=O)=O)CC3)cc2)c2ccccc2n1,0.0
Cc1cc(COc2ccc(NC(=O)[C@H]3[NH2+]CCC[C@@H]3C(=O)NO)cc2)c2ccccc2n1,0.0
O=C(N[C@@H]1CCOC[C@@H]1C(=O)NO)c1ccc(Cc2c3c([nH+]c4ccccc24)CCC3)cc1,0.0
Cc1cc(COc2ccc(S(=O)(=O)C[C@@H]3C[NH2+]CC[C@@H]3C(=O)NO)cc2)c2ccccc2n1,0.0
O=C(NO)[C@H]1C[C@@]12C[C@@H](c1ccc(OCc3cc(-c4cccnc4)nc4ccccc34)cc1)NC2=O,0.0
Cc1cc(COc2ccc(C[C@@H]3[C@@H](C(=O)NO)CCS3(=O)=O)cc2)c2ccccc2n1,0.0
Cc1cc(COc2ccc3c(c2)CN(C[C@@]2(c4ccc(F)cc4)NC(=O)NC2=O)C3=O)c2ccccc2n1,0.0
Cc1cc(COc2ccc(C(=O)N[C@@H]3CCOC[C@@H]3C(=O)NO)cc2)c2ccccc2n1,0.0
Cc1cc(COc2ccc(C(=O)NCC3(Cc4ccccc4)C(=O)NC(=O)NC3=O)cc2)c2ccccc2n1,0.0
Cc1cc(COc2ccc(C(=O)NC3(CC(=O)NO)CCN(c4ccccc4)CC3)cc2)c2ccccc2n1,0.0
Cc1noc(C)c1-c1ccc([C@]2(CN3Cc4ccc(F)cc4C3=O)NC(=O)NC2=O)cc1,0.0
Nc1ccc2c(c1)CN(S(=O)(=O)c1ccc(Oc3ccccc3)cc1)[C@@H](C(=O)NO)C2,0.0
Cc1cc(COc2ccc(C(=O)N[C@@H]3CC[C@@H]3C(=O)NO)cc2)c2ccccc2n1,0.0
O=C(NO)[C@]1(S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CC[N@@H+](Cc2ccccc2)CC1,0.0
Cc1cc(COc2ccc(C(=O)NCC3(C(=O)NO)CCN(S(C)(=O)=O)CC3)cc2)c2ccccc2n1,0.0
COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc([C@]4(C)NC(=O)NC4=O)cc3)NC(=O)NC1=O)C2,0.0
Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(OCc4ccccc4C)cc3)[C@@H](C(=O)NO)[C@@H]2C)cc1,0.0
Cc1cc(COc2ccc(C(=O)NCC3(C(=O)NO)CCCCC3)cc2)c2ccccc2n1,0.0
Cc1cc(COc2ccc(C(=O)NC3(CC(=O)NO)CCCCC3)cc2)c2ccccc2n1,0.0
O=C(OCc1ccccc1)c1cc2c(c(CCn3cnc4c3NC=[NH+]C[C@@H]4O)c1)CCCC2,0.0
COC(=O)c1ccc2ccccc2c1CCCn1cnc2c1NC=[NH+]C[C@@H]2O,0.0
Cc1cccc(CC[C@H]([C@H](C)O)n2cnc3c(N)ncnc32)c1,0.0
C[C@H](O)[C@@H](CCc1cccc2ccccc12)n1cnc(C(N)=O)c1,0.0
NC(=O)c1cn([C@@H](CO)CCc2cccc3ccccc23)cn1,0.0
COC(=O)c1ccc(C)c(CCCn2cnc3c2NC=[NH+]C[C@@H]3O)c1,0.0
CNOC(=O)c1ccc(C)c(CCCn2cnc3c2NC=[NH+]C[C@@H]3O)c1,0.0
COc1ccc(CCC(=O)Nc2ccc3ccn(CC[C@H](CO)n4cnc(C(N)=O)c4)c3c2)cc1,0.0
NC(=O)c1cn([C@@H](CO)CCn2ccc3ccc(NC(=O)CCc4ccccc4)cc32)cn1,0.0
Cc1ccc(CCC(=O)Nc2ccc3ccn(CC[C@H](CO)n4cnc(C(N)=O)c4)c3c2)cc1,0.0
COC(=O)c1ccc(C)cc1CCCn1cnc2c1NC=[NH+]C[C@@H]2O,0.0
Cc1ccc(CCCC(=O)Nc2ccc3ccn(CC[C@H](CO)n4cnc(C(N)=O)c4)c3c2)cc1,0.0
CCCCCC(=O)Nc1ccc2ccn(CC[C@H](CO)n3cnc(C(N)=O)c3)c2c1,0.0
C[C@H](O)[C@@H](CCCCc1ccccc1)n1cnc2c(N)ncnc21,0.0
C[C@H](O)[C@@H](CCCc1ccccc1)n1cnc2c(N)ncnc21,0.0
C[C@H](O)[C@@H](CCOc1ccc2ccccc2c1)n1cnc(C(N)=O)c1,0.0
COC(=O)c1ccc(OC)c(CCCn2cnc3c2NC=[NH+]C[C@@H]3O)c1,0.0
C[C@H](O)[C@@H](CCc1cccc2oc(-c3ccc(Cl)cc3)nc12)n1cnc(C(N)=O)c1,0.0
C[C@H](O)[C@@H](CCCCCc1ccccc1)n1cnc2c(N)ncnc21,0.0
Cn1cc(CC[C@H](CO)n2cnc(C(N)=O)c2)c2cc(OCCCc3ccc(Cl)cc3)ccc21,0.0
NC(=O)c1cn([C@@H](CO)CCn2ccc3ccc(OCCCCc4ccccc4)cc32)cn1,0.0
NC(=O)c1cn([C@@H](CO)CCn2ccc3ccc(OCCCc4ccccc4)cc32)cn1,0.0
CCc1cccc(C[C@H]([C@H](C)O)n2cnc3c(N)ncnc32)c1,0.0
NC(=O)c1cn([C@@H](CO)CCn2ccc3ccc(NC(=O)CCCCCc4ccccc4)cc32)cn1,0.0
COC(=O)c1c(F)cccc1CCCn1cnc2c1NC=[NH+]C[C@@H]2O,0.0
NC(=O)c1cn([C@@H](CO)CCn2ccc3ccc(NC(=O)CCc4cccnc4)cc32)cn1,0.0
COC(=O)c1cc(C)ccc1CCCn1cnc2c1NC=[NH+]C[C@@H]2O,0.0
Cn1c(CCC(=O)Nc2ccc3ccn(CC[C@H](CO)n4cnc(C(N)=O)c4)c3c2)nc2ccccc21,0.0
NC(=O)c1cn([C@@H](CO)CCn2ccc3ccc(OCCCc4ccc(Cl)cc4)cc32)cn1,0.0
Cn1cc(CC[C@H](CO)n2cnc(C(N)=O)c2)c2cc(OCCCc3ccccc3)ccc21,0.0
NC(=O)c1cn([C@@H](CO)CCn2ccc3ccc(NC(=O)CCCCc4ccccc4)cc32)cn1,0.0
OC[C@H]1O[C@@H](n2cnc3c2N=CCC[C@H]3O)C[C@H]1O,0.0
NC(=O)c1cn([C@@H](CO)CCn2ccc3ccc(NC(=O)NCc4ccccc4)cc32)cn1,0.0
Cc1ccc(C[C@H]([C@H](C)O)n2cnc3c(N)ncnc32)cc1,0.0
C[C@H](O)[C@@H](CCc1cccc(Cl)c1Cl)n1cnc(C(N)=O)c1,0.0
C[C@@H](O)[C@H](COCCc1ccccc1)n1cnc2c(N)ncnc21,0.0
COC(=O)c1ccccc1CCCn1cnc2c1NC=[NH+]C[C@@H]2O,0.0
CCCCCCOc1ccc2c(c1)c(CC[C@H](CO)n1cnc(C(N)=O)c1)cn2C,0.0
COC(=O)c1cccc(CCCn2cnc3c2NC=[NH+]C[C@@H]3O)c1,0.0
OC[C@H]1O[C@@H](n2cnc3c2NC=[NH+]C[C@H]3O)[C@H](O)[C@@H]1O,0.0
CCCc1ccccc1C[C@H]([C@H](C)O)n1cnc2c(N)ncnc21,0.0
CCCCCC[C@H](CO)n1cnc2c(N)ncnc21,0.0
CC1=[NH+]C[C@@H](O)c2ncn([C@H]3C[C@@H](O)[C@@H](CO)O3)c2N1,0.0
O=C1c2cccc3cccc(c23)C(=O)N1[C@H]1CC[N@H+](C[C@H](O)COc2cccc3[nH]c4ccccc4c23)CC1,0.0
COc1cc2c3c(cccc3c1)C(=O)N(C[C@H]1CC[N@H+](C[C@@H](O)COc3cccc4[nH]c5ccccc5c34)CC1)C2=O,0.0
O=C([O-])c1ccc(-c2ccc3c(c2)C[C@@H]([NH2+]C[C@H](O)c2ccc(Cl)nc2)CC3)cc1,0.0
CCc1cc2c(cc1CC)CC([NH2+]C[C@H](O)c1ccc([O-])c3[nH]c(=O)ccc13)C2,0.0
O=C1c2cccc3cccc(c23)C(=O)N1C[C@H]1CC[N@H+](C[C@@H](O)COc2cccc3[nH]ccc23)CC1,0.0
CCCCCCc1cccc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)c1,0.0
O=C([O-])c1cc(NC2CCCCC2)cc(Oc2ccc3c(c2)C[C@@H]([NH2+]C[C@H](O)c2cccc(Cl)c2)CC3)c1,0.0
COc1ccc(C(=O)[C@H]2CC[N@H+](C[C@@H](O)COc3cccc4[nH]c5ccccc5c34)CC2)cc1,0.0
O=C([O-])c1cc(NC(=O)c2ccccc2)cc(Oc2cccc(CC[NH2+]C[C@H](O)c3cccc(Cl)c3)c2)c1,0.0
O=C([O-])c1ccc(Nc2ccc(CC[NH2+]C[C@H](O)c3cccc(Cl)c3)cc2)cc1,0.0
CCCNc1cc(Oc2ccc3c(c2)C[C@@H]([NH2+]C[C@H](O)c2cccc(Cl)c2)CC3)cc(C(=O)[O-])c1,0.0
O=C([O-])c1cccc(Oc2ccc3c(c2)C[C@@H]([NH2+]C[C@H](O)c2ccc(Cl)nc2)CC3)c1,0.0
O=C([O-])c1ccc(-c2ccc3c(c2)C[C@@H]([NH2+]C[C@H](O)c2cccc(Cl)c2)CC3)nc1,0.0
OCCCC[NH+]1CCN([C@@H]2C[C@@H](c3ccc(F)cc3)c3ccc(F)cc32)CC1,0.0
O=C(Cc1ccc2ccccc2c1)Nc1ccc(CC[NH2+]C[C@H](O)COc2ccc(O)cc2)cc1,0.0
COc1ccc(C[C@H]2CC[N@H+](C[C@@H](O)COc3cccc4[nH]c5ccccc5c34)CC2)cc1,0.0
O=C([O-])c1ccc(-c2ccc(CC[NH2+]C[C@H](O)c3cccc(Cl)c3)cc2Cl)cc1,0.0
O[C@H](COc1cccc2[nH]c3ccccc3c12)C[N@H+]1CC[C@H](Cc2cccnc2)CC1,0.0
O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)COc2ccc(O)cc2)cc1)c1cnc2ccccc2c1,0.0
C[C@@H]([NH2+]C[C@H](O)c1ccc([O-])c2[nH]c(=O)sc12)c1ccc2ccccc2c1,0.0
O=C(Cc1cc2ccccc2c[nH+]1)Nc1ccc(CC[NH2+]C[C@H](O)COc2ccc(O)cc2)cc1,0.0
O=C([O-])COc1ccc(Cc2ccc(CC[NH2+]C[C@H](O)c3cccc(Cl)c3)cc2)cc1,0.0
O=c1[nH]c2c([O-])ccc([C@@H](O)C[NH2+][C@H]3CCCc4ccccc43)c2s1,0.0
O=C(Cc1cccc2ccccc12)Nc1ccc(CC[NH2+]C[C@H](O)COc2ccc(O)cc2)cc1,0.0
C=CCc1ccccc1OC[C@@H](O)CN1CCN(CCN2C(=O)c3cccc4cccc(c34)C2=O)CC1,0.0
C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H](CN2C(=O)c3cccc4cccc(c34)C2=O)CC1,0.0
O=C([O-])c1ccc(-c2ccc(CC[NH2+]C[C@H](O)c3cccc(Cl)c3)cc2)nc1,0.0
O=C(Nc1ccc(CC[NH2+]C[C@H](O)COc2ccc(O)cc2)cc1)C(c1ccccc1)c1ccccc1,0.0
O=S(=O)(Nc1ccccc1)c1ccc2c(c1)CCN2c1noc(CCCC2CCCC2)n1,0.0
O=C([O-])c1ccc(Oc2ccc3c(c2)C[C@@H]([NH2+]C[C@H](O)c2cccc(Cl)c2)CC3)nc1,0.0
O=C(Cc1[nH+]ccn1Cc1ccc2ccccc2c1)Nc1ccc(CC[NH2+]C[C@H](O)COc2ccccc2)cc1,0.0
O=C([O-])c1ccc(Oc2ccc3c(c2)C[C@@H]([NH2+]C[C@H](O)c2cccc(Cl)c2)CC3)s1,0.0
COc1ccc([C@H](Cc2ccccc2)[NH2+]C[C@@H](O)Cc2ccc(O)c([N-]S(C)(=O)=O)c2)cc1OC,0.0
O=C([O-])c1cccc(Oc2ccc3c(c2)C[C@@H]([NH2+]C[C@H](O)c2cccc(Cl)c2)CCC3)c1,0.0
O=C1c2cccc3cccc(c23)C(=O)N1[C@H]1CC[N@H+](C[C@H](O)COc2cccc3[nH]c4ccccc4c23)CC1,0.0
O=C1c2cccc3cccc(c23)C(=O)N1C[C@H]1CC[N@H+](C[C@H](O)COc2cccc3[nH]c4ccccc4c23)CC1,0.0
O=C1c2cccc3cccc(c23)C(=O)N1C[C@H]1CC[N@H+](C[C@@H](O)COc2cccc3[nH]ccc23)CC1,0.0
CC(C)(Cc1ccc(-c2ccccc2)cc1)[NH2+]C[C@@H](O)c1ccc(O)c2c1OCC(=O)N2,0.0
CCCCCCc1cccc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)c1,0.0
Nc1nc(N2CC[NH2+]CC2)c2c([nH+]1)C1=C(CC2)O[C@H]2CCCC[C@@H]12,0.0
O=C(c1ccccc1)[C@H]1CC[N@H+](C[C@@H](O)COc2cccc3[nH]c4ccccc4c23)CC1,0.0
O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)COc2ccc(O)cc2)cc1)c1ccc2ccccc2c1,0.0
O=C(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1cccc(-c2ccccc2)c1,0.0
OCCCC[NH+]1CCN([C@@H]2C[C@@H](c3ccc(F)cc3)c3ccc(F)cc32)CC1,0.0
COc1ccc(C[C@H]2CC[N@H+](C[C@@H](O)COc3cccc4[nH]c5ccccc5c34)CC2)cc1,0.0
O=C(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2ccccc2)cc1,0.0
O[C@H](COc1cccc2[nH]c3ccccc3c12)C[N@H+]1CC[C@H](Cc2cccnc2)CC1,0.0
CC(C)c1ccccc1OC[C@@H](O)CN1CCN(CCN2C(=O)c3cccc4cccc(c34)C2=O)CC1,0.0
O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(CCc3ccccc3)cs2)cc1,0.0
O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)COc2ccc(O)cc2)cc1)c1cnc2ccccc2c1,0.0
C[C@@H]([NH2+]C[C@H](O)c1ccc([O-])c2[nH]c(=O)sc12)c1ccc2ccccc2c1,0.0
O=C1NC(=O)[C@@H](Cc2ccc(N3CCC([NH2+]C[C@H](O)c4ccc(O)c(NS(=O)(=O)c5ccccc5)c4)CC3)cc2)S1,0.0
CC(C)(C)[NH2+]C[C@@H](O)CON=C1c2ccccc2-c2ccccc21,0.0
CCC[NH2+]C[C@@H](O)COc1ccc2c(=O)cc(-c3ccccc3)oc2c1,0.0
CC(C)c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H](CN2C(=O)CCCC2=O)CC1,0.0
O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(Cc3cccc(F)c3)n2)cc1,0.0
C[C@H](Cc1ccc2[nH]c(C(=O)NCc3ccccn3)cc2c1)[NH2+]C[C@H](O)c1ccc(O)c(CO)c1,0.0
O=S(=O)(Nc1ccccc1)c1ccc2c(c1)CCN2c1noc(CCCC2CCCC2)n1,0.0
O=c1[nH]c2c([O-])ccc([C@@H](O)C[NH2+][C@@H]3CCCc4ccccc43)c2s1,0.0
CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)[NH2+]C[C@H](O)COc1cccc2c1C1(CC1)C(=O)N2,0.0
O=C(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1cccc(CCc2ccccc2)c1,0.0
COc1ccccc1CNC(=O)c1cc2cc(C[C@@H](C)[NH2+]C[C@H](O)c3ccc(O)c(CO)c3)ccc2[nH]1,0.0
CC(C)c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H](CN2C(=O)c3ccccc3C2=O)CC1,0.0
COc1ccc([C@H](Cc2ccccc2)[NH2+]C[C@@H](O)Cc2ccc(O)c([N-]S(C)(=O)=O)c2)cc1OC,0.0
COc1ccc([C@H](CCc2cccc(Cl)c2)[NH2+]C[C@H](O)Cc2ccc(O)c([N-]S(C)(=O)=O)c2)cc1OC,0.0
COc1ccc(C[C@@H](C)[NH2+]C[C@H](O)c2ccc([O-])c3[nH]c(=O)ccc23)cc1,0.0
CC(C)(Cc1ccc2ccccc2c1)[NH2+]C[C@@H](O)COc1cccc(Cl)c1C#N,0.0
O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(Cc3cccc(F)c3)n2)cc1,0.0
O=S(=O)(Nc1ccccc1)c1ccc2c(c1)CCN2c1nc(CCCC2CCCC2)cs1,0.0
CC(C)c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H](N2C(=O)c3cccc4cccc(c34)C2=O)CC1,0.0
O=c1[nH]c2c([O-])ccc([C@@H](O)C[NH2+][C@@H]3CCCC[C@H]3OCc3ccccc3)c2s1,0.0
O=C(Nc1ccccc1)Nc1ccc(CC[NH2+]C[C@H](O)COc2ccccc2)cc1,0.0
O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(Cc3ccc(F)c(F)c3)n2)cc1,0.0
O=c1[nH]c2ccc(N[C@H](COc3cncc(-c4ccc5[nH]c(=O)[nH]c5c4)c3)Cc3c[nH]c4ccccc34)cc2[nH]1,0.0
O=C1Cc2ccc(N[C@H](COc3cncc(-c4ccc5c(n4)NC(=O)C5)c3)Cc3c[nH]c4ccccc34)nc2N1,0.0
O=c1[nH]c2ccc(N[C@H](COc3cncc(-c4ccc5[nH]c(=O)oc5c4)c3)Cc3c[nH]c4ccccc34)cc2o1,0.0
[NH3+][C@H](COc1cncc(-c2ccc3cnc(-c4ccccc4)cc3c2)c1)Cc1c[nH]c2ccccc12,0.0
O=C1Cc2cc(N[C@H](COc3cncc(-c4ccc5c(c4)CC(=O)N5)c3)Cc3c[nH]c4ccccc34)ccc2N1,0.0
Cc1nc(-c2ccc(C[N@H+]3CC[C@H](n4c(=O)[nH]c5ccccc54)CC3)cc2)c(-c2ccccc2)[nH]c1=O,0.0
O=c1[nH]c2ccccc2n1[C@H]1CC[N@H+](Cc2ccc(-c3nc4cc5cn[nH]c5cc4nc3-c3ccccc3)cc2)CC1,0.0
O=C1Nc2ccc(N[C@H](COc3cncc(-c4ccc5c(c4)C(=O)C(=O)N5)c3)Cc3c[nH]c4ccccc34)cc2C1=O,0.0
O=c1[nH]c2ccccc2n1[C@H]1CC[N@H+](Cc2ccc(-c3nc4cc5nc[nH]c5cc4nc3-c3ccccc3)cc2)CC1,0.0
[NH3+][C@H](COc1cncc(-c2ccc3cnc(-c4ccncc4)cc3c2)c1)Cc1c[nH]c2ccccc12,0.0
O=C1NCCc2nc(-c3ccc(C[N@H+]4CC[C@H](c5n[nH]c(-c6ccccn6)n5)CC4)cc3)c(-c3ccccc3)cc21,0.0
Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4cccc(-c5ccccc5)c4)c3)cc12,0.0
O=c1ccc(-c2nc([C@H]3CC[N@H+](Cc4ccc(-c5nc6cc[nH]c(=O)c6cc5-c5ccccc5)cc4)CC3)n[nH]2)c[nH]1,0.0
COc1ccc2ccccc2c1C[C@H]([NH3+])COc1cncc(-c2ccc3[nH]nc(C)c3c2)c1,0.0
O=c1[nH]c2ccccc2n1[C@H]1CC[N@H+](Cc2ccc(-c3ncc(-c4nnn[n-]4)cc3-c3ccccc3)cc2)CC1,0.0
c1ccc(-c2cc3ccncc3nc2-c2ccc(C[N@H+]3CC[C@H](c4n[nH]c(-c5ccccn5)n4)CC3)cc2)cc1,0.0
O=c1[nH]c2ccccc2n1[C@H]1CC[N@H+](Cc2ccc(-c3nc4ccccc4cc3-c3ccccc3)cc2)CC1,0.0
c1ccc(-c2cc3cccnc3nc2-c2ccc(C[N@H+]3CC[C@H](c4cc(-c5ccccn5)[nH]n4)CC3)cc2)cc1,0.0
O=c1[nH]c2ccc(N[C@H](COc3cncc(-c4ccc5[nH]c(=O)sc5c4)c3)Cc3c[nH]c4ccccc34)cc2s1,0.0
[NH3+][C@H](COc1cncc(-c2ccc3[nH]c(=O)oc3c2)c1)Cc1c[nH]c2ccccc12,0.0
[NH3+][C@H](COc1cncc(-c2ccc3cnccc3c2)c1)Cc1n[nH]c2ccccc12,0.0
O=c1[nH]ccc2nc(-c3ccc(C[N@H+]4CC[C@H](c5n[nH]c(-c6cnccn6)n5)CC4)cc3)c(-c3ccccc3)cc12,0.0
CC(C)=C1C(=O)Nc2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)cc21,0.0
O=c1[nH]c2ccccc2n1[C@H]1CC[N@H+](Cc2ccc(-c3nc4ccc(-c5nnn[n-]5)cc4nc3-c3ccccc3)cc2)CC1,0.0
c1ccc(-c2cc([C@H]3CC[N@H+](Cc4ccc(-c5nc6ncccc6cc5-c5ccccc5)cc4)CC3)n[nH]2)cc1,0.0
[NH3+][C@H](COc1cncc(-c2ccc3cnc(-c4ccco4)cc3c2)c1)Cc1c[nH]c2ccccc12,0.0
c1ccc(-c2cc3cccnc3nc2-c2ccc(C[N@H+]3CC[C@H](c4n[nH]c(-c5ccccn5)n4)CC3)cc2)cc1,0.0
O=c1[nH]ccc2nc(-c3ccc(C[N@H+]4CC[C@H](c5n[nH]c(-c6ncccn6)n5)CC4)cc3)c(-c3ccccc3)cc12,0.0
N#Cc1cc(-c2ccccc2)c(-c2ccc(C[N@H+]3CC[C@H](n4c(=O)[nH]c5ccccc54)CC3)cc2)nc1Cl,0.0
c1ccc(-c2cc3cccnc3nc2-c2ccc(C[N@H+]3CC[C@H](c4cc(-c5cccnc5)[nH]n4)CC3)cc2)cc1,0.0
[NH3+][C@H](CNc1cc(-c2ccc3cnccc3c2)no1)Cc1ccc(C(F)(F)F)cc1,0.0
O=Nc1c([O-])[nH]c2ccc(N[C@H](COc3cncc(-c4ccc5[nH]c([O-])c(N=O)c5c4)c3)Cc3c[nH]c4ccccc34)cc12,0.0
c1ccc(-c2cc3ncccc3nc2-c2ccc(C[N@H+]3CC[C@H](c4n[nH]c(-c5ccccn5)n4)CC3)cc2)cc1,0.0
COc1ccc(O)c(C(=O)c2ccc(C(=O)O[C@@H]3CCC[NH2+]C[C@@H]3NC(=O)c3ccncc3)cc2)c1F,0.0
[NH3+][C@H](COc1cnc2ccc(-c3ccncc3)cc2c1)Cc1c[nH]c2ccccc12,0.0
Nc1ncnc2nc(-c3ccc(C[N@H+]4CC[C@H](c5nc6ccc(F)cc6[nH]5)CC4)cc3)c(-c3ccccc3)cc12,0.0
O=c1ccc(-c2cc([C@H]3CC[N@H+](Cc4ccc(-c5nc6ncccc6cc5-c5ccccc5)cc4)CC3)n[nH]2)c[nH]1,0.0
[NH3+][C@H](CNc1nnc(-c2ccc3cnccc3c2)o1)Cc1ccc(C(F)(F)F)cc1,0.0
[NH3+][C@H](COc1cncc(-c2ccc3[nH]nc(-c4ccccc4)c3c2)c1)Cc1c[nH]c2ccccc12,0.0
[NH3+][C@H](COc1cncc(-c2ccc3c(c2)[C@@H](c2c[nH]c4ccccc24)C(=O)N3)c1)Cc1c[nH]c2ccccc12,0.0
O=c1[nH]nc2c3cc(-c4ccccc4)c(-c4ccc(C[N@H+]5CC[C@H](c6n[nH]c(-c7ccccn7)n6)CC5)cc4)nc3ccn12,0.0
O=c1[nH]c2ccccc2n1[C@H]1CC[N@H+](Cc2ccc(-c3nc4ccc(-n5cnnn5)cc4nc3-c3ccccc3)cc2)CC1,0.0
O=C1N=CC=C2N=C(c3ccc(C[N@H+]4CC[C@H](c5n[nH]c(-c6ccccn6)n5)CC4)cc3)C(c3ccccc3)=C[C@@H]12,0.0
O=c1[nH]c2ccccc2n1[C@H]1CC[N@H+](Cc2ccc(-c3nc4cc5cn[nH]c5cc4nc3-c3ccccc3)cc2)CC1,0.0
O=c1[nH]c2ccccc2n1[C@H]1CC[N@H+](Cc2ccc(-c3nc4cc5nc[nH]c5cc4nc3-c3ccccc3)cc2)CC1,0.0
O=C1NCCc2nc(-c3ccc(C[N@H+]4CC[C@H](c5n[nH]c(-c6ccccn6)n5)CC4)cc3)c(-c3ccccc3)cc21,0.0
O=c1ccc(-c2nc([C@H]3CC[N@H+](Cc4ccc(-c5nc6cc[nH]c(=O)c6cc5-c5ccccc5)cc4)CC3)n[nH]2)c[nH]1,0.0
O=c1[nH]c2ccccc2n1[C@H]1CC[N@H+](Cc2ccc(-c3ncc(-c4nnn[n-]4)cc3-c3ccccc3)cc2)CC1,0.0
c1ccc(-c2cc3ccncc3nc2-c2ccc(C[N@H+]3CC[C@H](c4n[nH]c(-c5ccccn5)n4)CC3)cc2)cc1,0.0
c1ccc(-c2cc3cccnc3nc2-c2ccc(C[N@H+]3CC[C@H](c4cc(-c5ccccn5)[nH]n4)CC3)cc2)cc1,0.0
O=c1[nH]ccc2nc(-c3ccc(C[N@H+]4CC[C@H](c5n[nH]c(-c6cnccn6)n5)CC4)cc3)c(-c3ccccc3)cc12,0.0
O=c1[nH]c2ccccc2n1[C@H]1CC[N@H+](Cc2ccc(-c3nc4ccc(-c5nnn[n-]5)cc4nc3-c3ccccc3)cc2)CC1,0.0
[NH3+]C1(Cc2ccc3ccccc3c2)CCN(c2ncnc3[nH]ccc23)CC1,0.0
c1ccc(-c2cc3cccnc3nc2-c2ccc(C[N@H+]3CC[C@H](c4n[nH]c(-c5ccccn5)n4)CC3)cc2)cc1,0.0
Cc1ccc2nc([C@H]3CC[N@H+](Cc4ccc(-c5ncc(-c6nnn[n-]6)cc5-c5ccccc5)cc4)CC3)[nH]c2c1,0.0
O=c1[nH]ccc2nc(-c3ccc(C[N@H+]4CC[C@H](c5n[nH]c(-c6ncccn6)n5)CC4)cc3)c(-c3ccccc3)cc12,0.0
c1ccc(-c2cc3cccnc3nc2-c2ccc(C[N@H+]3CC[C@H](c4cc(-c5cccnc5)[nH]n4)CC3)cc2)cc1,0.0
c1ccc(-c2cc3ncccc3nc2-c2ccc(C[N@H+]3CC[C@H](c4n[nH]c(-c5ccccn5)n4)CC3)cc2)cc1,0.0
Nc1ncnc2nc(-c3ccc(C[N@H+]4CC[C@H](c5nc6ccc(F)cc6[nH]5)CC4)cc3)c(-c3ccccc3)cc12,0.0
O=c1ccc(-c2cc([C@H]3CC[N@H+](Cc4ccc(-c5nc6ncccc6cc5-c5ccccc5)cc4)CC3)n[nH]2)c[nH]1,0.0
O=c1[nH]nc2c3cc(-c4ccccc4)c(-c4ccc(C[N@H+]5CC[C@H](c6n[nH]c(-c7ccccn7)n6)CC5)cc4)nc3ccn12,0.0
c1ccc(-c2cc3cnccc3nc2-c2ccc(C[N@H+]3CC[C@H](c4n[nH]c(-c5ccccn5)n4)CC3)cc2)cc1,0.0
NC1(C(=O)N2CCc3ccccc3C2)CCN(c2ncnc3[nH]ccc23)CC1,0.0
c1ccc(-c2cc3cccnc3nc2-c2ccc(C[N@H+]3CC[C@H](c4cc(-c5ccncc5)[nH]n4)CC3)cc2)cc1,0.0
COc1ccc(-c2nc([C@H]3CC[N@H+](Cc4ccc(-c5nc6cc[nH]c(=O)c6cc5-c5ccccc5)cc4)CC3)n[nH]2)cn1,0.0
Cc1nc2ccccc2n1[C@H]1CC[N@H+](Cc2ccc(-c3nc4ncnc(N)c4cc3-c3ccccc3)cc2)CC1,0.0
O=C([O-])c1ccc2nc(-c3ccc(C[N@H+]4CC[C@H](n5c(=O)[nH]c6ccccc65)CC4)cc3)c(-c3ccccc3)nc2c1,0.0
O=c1[nH]c2ccccc2n1[C@H]1CC[N@H+](Cc2ccc(-c3nc4cc(-c5nnn[n-]5)ccc4nc3-c3ccccc3)cc2)CC1,0.0
Cn1nnc(-c2ccc3nc(-c4ccccc4)c(-c4ccc(C[N@H+]5CC[C@H](n6c(=O)[nH]c7ccccc76)CC5)cc4)nc3c2)n1,0.0
Nc1nnc2c3cc(-c4ccccc4)c(-c4ccc(C[N@H+]5CC[C@H](n6cnc(-c7ccccn7)c6)CC5)cc4)nc3ccn12,0.0
Cn1nnnc1-c1cnc(-c2ccc(C[N@H+]3CC[C@H](n4c(=O)[nH]c5ccccc54)CC3)cc2)c(-c2ccccc2)c1,0.0
Nc1ncnc2nc(-c3ccc(C[N@H+]4CC[C@H](n5c(=O)[nH]c6ccccc65)CC4)cc3)c(-c3ccccc3)cc12,0.0
Cc1n[nH]c2ccc(-c3cc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)cnc3-c3ccoc3)cc12,0.0
c1ccc(-c2cc3cnc(-n4ccnc4)nc3nc2-c2ccc(C[N@H+]3CC[C@H](c4n[nH]c(-c5ccccn5)n4)CC3)cc2)cc1,0.0
NC1(C(=O)NCc2ccc(Cl)cc2)CCN(c2ccnc3[nH]ccc23)CC1,0.0
NC1(C(=O)NCc2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1,0.0
Cn1nc(N)c2cc(-c3ccccc3)c(-c3ccc(C[N@H+]4CC[C@H](n5c(=O)[nH]c6ccccc65)CC4)cc3)nc21,0.0
NC(=O)Nc1ccc2c(c1)/C(=C/c1cc(-c3cccc(C[NH3+])c3)c[nH]1)C(=O)N2,0.0
C#Cc1ncc(OC[C@@H]([NH3+])Cc2c[nH]c3ccccc23)cc1-c1ccc2cnccc2c1,0.0
CC(C)Cc1nc(-c2ccccc2)c(-c2ccc(C[N@H+]3CC[C@H](n4c(=O)[nH]c5ccccc54)CC3)cc2)[nH]c1=O,0.0
NC1(C(=O)N2CCC[C@H]2c2ccccc2)CCN(c2ncnc3[nH]ccc23)CC1,0.0
O=C([O-])Cc1nn(Cc2nc3ccccc3s2)c(=O)c2cc3ccccc3cc12,0.0
O=C([O-])Cc1nn(Cc2ccc(Br)cc2F)c(=O)c2cc3ccccc3cc12,0.0
O=C1N=C([O-])CC12c1cc(F)ccc1-c1ccc(F)cc12,0.0
O=C1NC(=O)/C(=C/c2ccc3oc(-c4ccccc4)cc(=O)c3c2)S1,0.0
O=C([O-])Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2ccc(-c3ccccc3)cc21,0.0
O=C1NC(=O)C2(N1)c1cc(F)ccc1-c1ccc(F)cc12,0.0
O=C([O-])CC1c2cc(F)ccc2-c2ccc(F)cc21,0.0
O=C([O-])Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2cc(-c3ccccc3)ccc21,0.0
O=C([O-])Cn1nc2c(c(Cc3nc4cc(C(F)(F)F)ccc4s3)c1=O)CCc1ccccc1-2,0.0
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,0.0
O=C([O-])Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2cc(OCc3ccccc3)ccc21,0.0
O=C1c2ccccc2[C@@]2(CC([O-])=NC2=O)C(=O)N1Cc1nc2ccccc2s1,0.0
O=C([O-])CN1C(=O)S/C(=C\c2cc3ccccc3cc2Cl)C1=O,0.0
C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,0.0
O=C([O-])Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2cc(Oc3ccccc3)ccc21,0.0
Cc1ccccc1-c1noc(Cn2nc(CC(=O)[O-])c3ccccc3c2=O)n1,0.0
O=C([O-])Cc1cc(O)c2c(=O)c3ccccc3ccc2c1,0.0
O=C([O-])Cc1nn(Cc2cc3cc(Cl)ccc3o2)c(=O)c2ccccc12,0.0
O=C1NC(=O)/C(=C/c2ccc(-c3cc(=O)c4ccccc4o3)cc2)S1,0.0
Cc1cccc2c(CC(=O)[O-])nn(Cc3nc4c(ccc5ccccc54)s3)c(=O)c12,0.0
CN1C(=O)c2ccc(F)cc2[C@@]2(CC([O-])=NC2=O)C1=O,0.0
O=C([O-])Cc1nn(Cc2ncc(-c3ccccc3)o2)c(=O)c2ccccc12,0.0
O=C([O-])Cc1nn(Cc2nc3cc(F)cc(F)c3o2)c(=O)c2ccccc12,0.0
O=C([O-])Cc1nn(Cc2nc(-c3ccccn3)no2)c(=O)c2ccccc12,0.0
O=C([O-])Cc1nn(Cc2cc3ccccc3[nH]2)c(=O)c2ccccc12,0.0
O=C([O-])Cc1nn(Cc2csc(-c3ccccc3F)n2)c(=O)c2ccccc12,0.0
O=C([O-])Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2ccc(N3CCOCC3)cc21,0.0
O=C1NC(=O)[C@@H](c2cc(Cl)ccc2S(=O)(=O)NCc2ccccc2)N1,0.0
O=C([O-])Cc1nn(Cc2nc3cc(C(F)(F)F)ccc3s2)c(=O)c2ncccc12,0.0
O=C([O-])Cn1nc2n(Cc3ccccc3)c3ccccc3n2c(=O)c1=O,0.0
O=C([O-])Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2ccccc21,0.0
O=C([O-])Cc1nn(Cc2cc(-c3ccccc3)ns2)c(=O)c2ccccc12,0.0
O=C([O-])c1ccc2c(c1)C(=O)N([C@@H](Cc1cn[nH]n1)Cc1cccc3ccccc13)C2=O,0.0
O=C([O-])c1ccc2c(c1)C(=O)N([C@@H](Cc1ccc(O)cc1)C(=O)[O-])C2=O,0.0
O=C([O-])C[C@@H](Cc1cccc2ccccc12)N1C(=O)c2ccc(C(=O)[O-])cc2C1=O,0.0
O=C([O-])c1ccc2c(c1)C(=O)N([C@H](Cc1cccc3ccccc13)C(=O)[O-])C2=O,0.0
O=C([O-])c1ccc2c(c1)C(=O)N(CCc1ccc(O)cc1)C2=O,0.0
O=C([O-])c1ccc2c(c1)C(=O)N([C@H](Cc1c[nH]c3ccccc13)C(=O)[O-])C2=O,0.0
O=C([O-])c1ccc2c(c1)C(=O)N([C@H](Cc1ccc(O)cc1)C(=O)[O-])C2=O,0.0
O=C([O-])c1ccc2c(c1)C(=O)N([C@H](Cc1ccccc1)C(=O)[O-])C2=O,0.0
O=C([O-])[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O,0.0
O=C([O-])c1ccccc1C(=O)Nc1ccc(Cl)cc1,0.0
O=C([O-])c1cccc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])c1,0.0
O=C([O-])[C@H]1CC(=O)N(c2ccccc2O)C1,0.0
O=C([O-])c1ccc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])cc1Cl,0.0
CSCC[C@H](C(=O)[O-])N1C(=O)c2ccc(C(=O)[O-])cc2C1=O,0.0
O=C([O-])c1ccccc1S(=O)(=O)Nc1ccc(Cl)cc1,0.0
O=C([O-])c1ccc(NS(=O)(=O)c2ccsc2C(=O)[O-])c(O)c1,0.0
O=C([O-])c1sccc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1,0.0
NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])cc1,0.0
O=C([O-])c1sccc1S(=O)(=O)NCc1ccccc1,0.0
O=C([O-])c1ccc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])cc1,0.0
O=C([O-])c1sccc1S(=O)(=O)[N-]c1ccc(Cl)cc1,0.0
C[C@H](O)[C@H](C(=O)[O-])N1C(=O)c2ccccc2C1=O,0.0
O=C([O-])c1sccc1S(=O)(=O)[N-]c1ccc(Cl)c(Cl)c1,0.0
O=C([O-])c1sccc1S(=O)(=O)[N-]c1ccc(Br)cc1,0.0
O=C([O-])c1sccc1NS(=O)(=O)c1ccc(Cl)cc1,0.0
O=C([O-])c1sccc1S(=O)(=O)[N-]c1ccccc1[N+](=O)[O-],0.0
O=C([O-])CCSc1nc2ccccc2s1,0.0
O=c1cc(C(F)(F)F)c2c3c(ccc2[nH]1)-c1ccccc1CO3,0.0
C[C@]12CC[C@H](O)CC1=CC[C@H]1[C@H]3CC=C(n4cnc5ccccc54)[C@@]3(C)CC[C@@H]12,0.0
C[C@]12CCCN1c1cc3[nH]c(=O)cc(C(F)(F)F)c3cc1CC2,0.0
Cc1cc(-c2cc(F)c(F)c3cc[nH]c23)c(Cl)c2c1NC(C)(C)C[C@@H]2C,0.0
C[C@]12CN(C(=O)Nc3ccccc3)C[C@](C)(O1)[C@@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@@H]12,0.0
CC1(C)OC(=O)Nc2ccc(-c3ccc(F)c(Cl)c3)cc21,0.0
C[C@@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@H]43)[C@H]1CC[C@@]21CCCO1,0.0
Cn1c2c(c3ccc(O)cc31)CCc1ccccc1-2,0.0
C[C@]12CN(c3cc(Cl)ncn3)C[C@](C)(O1)[C@@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@@H]12,0.0
C[C@]12CN(c3cccc(C(N)=O)c3)C[C@](C)(O1)[C@@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@@H]12,0.0
CC1=CC(C)(C)Nc2ccc3c(c21)COc1ccc([N+](=O)[O-])cc1-3,0.0
C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12,0.0
O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)NC[C@H]1CCCC[C@H]31,0.0
CC1=CC(C)(C)Nc2ccc(-c3cc(F)cc(C#N)c3)cc21,0.0
C[C@]12CN(S(=O)(=O)c3ccccc3)C[C@](C)(O1)[C@@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@@H]12,0.0
C[C@]12CN(S(=O)(=O)c3ccccn3)C[C@](C)(O1)[C@@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@@H]12,0.0
CN1C(=O)C=C[C@]2(C)[C@@H]1CC[C@H]1[C@H]3CC[C@H](C(=O)Sc4ccccn4)[C@]3(C)CC[C@@H]12,0.0
CN1C(=O)C=C[C@@]2(C)[C@@H]3CC[C@]4(C)[C@H](O)/C(=C/c5cc(F)cc(F)c5)C[C@H]4[C@H]3CC[C@@H]12,0.0
CN1C(=O)C=C[C@]2(C)[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)c3ccc[nH]3)CC[C@@H]12,0.0
CN1C(=O)CC[C@]2(C)[C@@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)c4ccc[nH]4)[C@@]3(C)CC[C@@H]12,0.0
C[C@]12CN(C(=O)C3CC3)C[C@](C)(O1)[C@@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@@H]12,0.0
C[C@]12CN(c3ncccn3)C[C@](C)(O1)[C@@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@@H]12,0.0
O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)N[C@@H]1CCCC[C@H]31,0.0
Cn1c2c(c3cc(O)ccc31)CCc1cnccc1-2,0.0
C[C@]12CN(C(=O)c3ccccc3)C[C@](C)(O1)[C@@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@@H]12,0.0
Cn1c2c(c3cc(O)ccc31)CCc1ncccc1-2,0.0
O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)NCC[C@H]3c1cc(C(F)(F)F)cc(C(F)(F)F)c1,0.0
C[C@@H]1CC[C@H]([C@@H](O)C(F)(F)F)N1c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1,0.0
O=c1cc(-c2ccccc2)oc2cccc(O)c12,0.0
C=C1C=C2CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1,0.0
CN1C(=O)C=C[C@@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](CC[C@@]45CCCO5)[C@H]3CC[C@H]12,0.0
O=c1cc(-c2ccccc2)c2ccc(O)cc2o1,0.0
COc1ccc2c(c1)C(=O)c1ccc(-c3nnn(C)n3)cc1S2(=O)=O,0.0
O=C1c2ccccc2-c2nnc(-c3cccc([N+](=O)[O-])c3)nc21,0.0
COc1ccc2c(c1)C(=O)c1ccc(-c3nnc(C)o3)cc1S2(=O)=O,0.0
COc1cccc(-c2cc3cc(C)ccc3oc2=O)c1,0.0
Cc1nnc(COc2ccc3c(C)c(C)c(=O)oc3c2)o1,0.0
O=C(Nc1ccccc1Cc1ccccc1)c1cc2ccccc2oc1=O,0.0
O=c1cc(-c2ccccc2)oc2cc(O)ccc12,0.0
Cn1c(=O)c2c(nc(/C=C/c3cccc(Cl)c3)n2C)n(C)c1=O,0.0
O=C(NCc1ccccc1)c1cc2ccc(OCc3ccccc3)cc2oc1=O,0.0
C=C(Br)COc1ccc2c3c(c(=O)oc2c1C)CCC3,0.0
Cc1cc2c(nn1)-c1cc(OCc3ccccc3)ccc1C2=O,0.0
O=C1Nc2cc(/C=C/c3ccccc3)ccc2C1=O,0.0
Cc1c(C)c2ccc(OCc3ccc(F)cc3)cc2oc1=O,0.0
C=C(Br)COc1ccc2c3c(c(=O)oc2c1C)CCCC3,0.0
Cc1c(C)c2ccc(OCc3cc(C4CC4)on3)cc2oc1=O,0.0
Cc1c(C)c2ccc(OCc3nc(C(C)C)no3)cc2oc1=O,0.0
NC(=O)[C@@H]1CCC[N@H+]1Cc1cc(=O)oc2cc(OCc3ccccc3)ccc12,0.0
O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12,0.0
COc1cccc(-c2csc(N/N=C/c3c[nH]c4ccccc34)n2)c1,0.0
O=C(NC1CCCCC1)c1cc2ccccc2oc1=O,0.0
CS(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1,0.0
Cc1c(C)c2ccc(OCc3ccccn3)cc2oc1=O,0.0
Cc1c(C)c2ccc(OCc3nnc(C(C)C)s3)cc2oc1=O,0.0
CN(CCCc1ccccc1)C(=O)c1cc2ccccc2n1C,0.0
O=C(NCc1ccccc1)c1cc2ccccc2[nH]1,0.0
COc1ccc(-c2cc(=O)c3c(O)cc(O)c(-c4cc(-c5cc(=O)c6c(O)cc(O)cc6o5)ccc4O)c3o2)cc1,0.0
COc1ccc([C@@]2(c3ccc(F)c(-c4cccnc4F)c3)NC(=[NH2+])N(C)C2=O)cc1C,0.0
NC1=N[C@@](c2cccc(-c3cccnc3F)c2)(c2ccc3c(c2)OCCO3)C2=[NH+]CCCN12,0.0
CN1C(=O)[C@@](c2ccncc2)(c2cccc(-c3cc(F)ccc3F)c2)[NH+]=C1N,0.0
CN(C(=O)c1cccc(CN2Cc3cc(Oc4ccccc4)ccc3[NH+]=C2N)c1)C1CCCCC1,0.0
O=C(/N=c1/[nH]c2ccc(F)cc2[nH]1)c1ccc2c(c1)Nc1ccccc1NC2=O,0.0
CN1C(=[NH2+])N[C@@](c2cccc(-c3cccnc3)c2)(c2ccc3c(c2)CCO3)C1=O,0.0
COc1cccc(-c2cccc([C@@]3(C)CC(=O)N(C)C(N)=[NH+]3)c2)c1,0.0
CN1C(=[NH2+])N[C@@](c2cccc(-c3cccnc3)c2)(c2ccc3c(c2)OCCO3)C1=O,0.0
O=C(Nc1cc(-c2ccccc2)ccc1N1CCN(C(=O)c2ccccc2)CC1)c1cccc2ccccc12,0.0
O=C(Nc1cc(-c2ccccc2)ccc1N1CC[NH2+]CC1)c1cc2ccccc2oc1=O,0.0
CN1C(=[NH2+])N[C@@](c2cccc(-c3cccnc3)c2)(c2ccc3c(c2)OCO3)C1=O,0.0
O=C(/N=c1/[nH]cc(-c2ccncc2)[nH]1)c1ccc2c(c1)Nc1ccccc1NC2=O,0.0
O=C(Nc1cc(-c2ccccc2)ccc1N1CCN(Cc2ccccc2)CC1)c1cc2ccccc2oc1=O,0.0
O=C(O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,0.0
Nc1cccc(Cn2c(-c3ccc(Oc4ccccc4)cc3)ccc2-c2ccccc2Cl)n1,0.0
Nc1cccc(Cn2c(-c3ccc(Oc4ccccn4)cc3)ccc2-c2ccccc2Cl)n1,0.0
CC(=O)c1ccc(Oc2ccc(-c3ccc(-c4ccccc4Cl)n3CC(=O)N=C(N)N)cc2)cc1,0.0
NC1=N[C@](c2ccc(OC(F)(F)F)cc2)(c2cccc(-c3cccnc3F)c2)C2=NCCN12,0.0
O=C(Nc1nc2c[nH+]ccc2[nH]1)c1ccc2c(c1)Nc1ccccc1NC2=O,0.0
NC1=N[C@](c2ccc(OC(F)(F)F)cc2)(c2cccc(-c3cccnc3F)c2)C2=NOCCN12,0.0
CCc1cc([C@@]2(c3cccc(-c4cncnc4)c3)[NH+]=C(N)N(C)C2=O)ccn1,0.0
Cc1cc2cc(n1)OCCCCOc1cccc(c1)C[C@@H]([C@H](O)C[NH2+]Cc1cccc(C(C)C)c1)NC2=O,0.0
COc1ccc([C@]2(c3cccc(-c4cccnc4)c3)NC(=[NH2+])N(C)C2=O)cc1OC1CCCC1,0.0
COc1ccc([C@]2(c3cccc(-c4cccnc4)c3)NC(=[NH2+])N(C)C2=O)cc1C1CCCC1,0.0
O=C(Nc1ccc(F)cc1)c1ccc2c(c1)Nc1ccccc1NC2=O,0.0
Nc1cccc(Cn2c(-c3ccc(Oc4ccncc4)cc3)ccc2-c2ccccc2Cl)n1,0.0
NC1=N[C@](c2ccc(OC(F)(F)F)cc2)(c2cccc(-c3cccnc3F)c2)C2=[NH+]CCCN12,0.0
CN(C(=O)CC[C@@H](C1CCCCC1)N1Cc2cc(Oc3ccccc3)ccc2[NH+]=C1N)C1CCCCC1,0.0
CN1C(=O)[C@](c2ccncc2)(c2cccc(-c3ccoc3)c2)[NH+]=C1N,0.0
CCc1cc([C@]2(c3cccc(-c4cccnc4F)c3)[NH+]=C(N)N(C)C2=O)cc(CC)n1,0.0
CN1C(=O)[C@](c2ccncc2)(c2cccc(-c3ccsc3)c2)[NH+]=C1N,0.0
C[C@@]1([NH3+])Cc2cccc(c2)CC[C@H](c2ccc(F)cc2)NC(=O)c2cc(cc(-c3cccc(F)c3C#N)c2)COC1=O,0.0
CNc1ncc2cc(-c3c(C)ccc4c(Nc5ccc6c(c5)NC(=O)C6(C)C)nccc34)ccc2n1,0.0
O/N=C1\CCc2cc(-c3cn([C@@H]4CCC[C@H](O)C4)nc3-c3ccncc3)ccc21,0.0
O/N=C1\CCc2cc(-c3cn([C@H]4CCC[C@@H]4O)nc3-c3ccncc3)ccc21,0.0
O/N=C1\CCc2cc(-c3cc(C4CC[NH2+]CC4)oc3-c3ccncc3)ccc21,0.0
C[NH+]1CCN(c2ccc(-c3cnn4c(-c5cc(NC(=O)c6cccc(C(F)(F)F)c6)ccc5F)ccnc34)cn2)CC1,0.0
O/N=C1\CCc2cc(-c3nc(C4CC[NH2+]CC4)[nH]c3-c3ccncc3)ccc21,0.0
O/N=C1\CCc2cc(-c3cn(C4CC[NH2+]CC4)nc3-c3ccncc3)ccc21,0.0
O/N=C1\CCc2cc(-c3cn(C4CCOCC4)nc3-c3ccncc3)ccc21,0.0
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1ncccc1-c1ccncn1,0.0
O/N=C1\CCc2cc(-c3cn(CC4CC[NH2+]CC4)nc3-c3ccncc3)ccc21,0.0
O=C(Nc1cccc(-c2ncnc3cc(-c4ccncc4)sc23)c1)c1cccc(C(F)(F)F)c1,0.0
O=C(Nc1cccc(-c2ccnc3c(-c4ccc(C[NH+]5CCCC5)cc4)cnn23)c1)c1cccc(C(F)(F)F)c1,0.0
O/N=C1\CCc2cc(-c3cc(CN4CCOCC4)oc3-c3ccncc3)ccc21,0.0
O/N=C1/CCCc2cc(-c3[nH]c(-c4ccccc4)nc3-c3ccncc3)ccc21,0.0
Cn1ncc(-c2ccc3c(c2)CC/C3=N\O)c1-c1ccncc1,0.0
O=C(Nc1cccc(-c2ccnc3cc(-c4ccncc4)nn23)c1)c1cccc(C(F)(F)F)c1,0.0
O/N=C1\CCc2cc(-c3cn(C[C@@H]4CCC[NH2+]C4)nc3-c3ccncc3)ccc21,0.0
O=C(Nc1cccc(-c2ccnc3cc(-c4ccncc4)nn23)c1)Nc1cccc(C(F)(F)F)c1,0.0
C[NH+]1CCN(Cc2ccc(-c3cnn4c(-c5cccc(NC(=O)c6cccc(C(F)(F)F)c6)c5)ccnc34)cc2)CC1,0.0
Cn1cncc1-c1cc2nccc(-c3cccc(NC(=O)c4cccc(C(F)(F)F)c4)c3)n2n1,0.0
CNc1ncc2cc(-c3cc(C(=O)Nc4cccc(C(F)(F)F)c4)ccc3C)ccc2n1,0.0
O=C(Nc1cccc(-c2ccnc3c(-c4cnc(N5CCOCC5)nc4)cnn23)c1)c1cccc(C(F)(F)F)c1,0.0
O=C(Nc1ccc(F)c(-c2ccnc3c(-c4cn[nH]c4)cnn23)c1)c1cccc(C(F)(F)F)c1,0.0
O=C(Nc1cccc(-c2ncnc3sc(-c4ccncc4)cc23)c1)c1cccc(C(F)(F)F)c1,0.0
O/N=C1/CCc2cc(-c3[nH]c(-c4ccccc4)nc3-c3ccncc3)ccc21,0.0
Cn1cc(-c2ccc3c(c2)CC/C3=N\O)c(-c2ccncc2)n1,0.0
O=C(Nc1cccc(-c2ccnc3cc(N4CCOCC4)nn23)c1)c1cccc(C(F)(F)F)c1,0.0
O=C(Nc1cccc(-c2ccnc3c(-c4ccoc4)cnn23)c1)c1cccc(C(F)(F)F)c1,0.0
C[NH+](C)CCNc1ccc(-c2cnn3c(-c4cccc(NC(=O)c5cccc(C(F)(F)F)c5)c4)ccnc23)cn1,0.0
C[NH+](C)Cc1ccc(-c2cnn3c(-c4cccc(NC(=O)c5cccc(C(F)(F)F)c5)c4)ccnc23)cc1,0.0
O=C(Nc1ccc2c(c1)CCC2)Nc1cc(CNc2ccccc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)ccn1,0.0
O=C(Nc1cccc(-c2ccnc3c(-c4coc(C[NH+]5CCCC5)c4)cnn23)c1)c1cccc(C(F)(F)F)c1,0.0
CC(C)(C[NH3+])c1nc(-c2ccc3c(c2)CC/C3=N\O)c(-c2ccncc2)[nH]1,0.0
Cn1cc(-c2ccc3c(c2)CC/C3=N\O)c(-c2cccnc2)n1,0.0
NC(=O)c1cccc(Nc2nccc(-c3[nH]c(C(F)(F)F)nc3-c3cccc(NC(=O)Cc4ccc(Cl)cc4)c3)n2)c1,0.0
Cn1cc(-c2ccc3c(c2)CC/C3=N\O)c(-c2ccncn2)n1,0.0
O=C(Nc1cccc(-c2ccnc3cc(-c4cc[nH+]c(NCCCc5[nH]cc[nH+]5)c4)nn23)c1)c1cccc(C(F)(F)F)c1,0.0
O=C(Nc1cccc(-c2ccnc3cc(-c4cc[nH+]c(NCCN5CCOCC5)c4)nn23)c1)c1cccc(C(F)(F)F)c1,0.0
Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21,0.0
CC(=O)Nc1cccc(-c2cncc(Nc3cccc(-c4cnco4)c3)n2)c1,0.0
CC(=O)Nc1cccc(-c2cncc(Nc3ccc4c(c3)OCO4)n2)c1,0.0
Cc1ccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1,0.0
NS(=O)(=O)c1ccc(C(=O)NCC(=O)NCC(=O)N[C@H](Cc2ccc3ccccc3c2)C(=O)[O-])cc1,0.0
Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1,0.0
NS(=O)(=O)c1nnc([N-]S(=O)(=O)c2ccc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)cc2)s1,0.0
NS(=O)(=O)c1ccc(C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@H](Cc2ccc3ccccc3c2)C(=O)[O-])cc1,0.0
C[C@H](CCC(=O)NCc1ccc(S(N)(=O)=O)cc1)[C@H]1CC[C@H]2[C@H]3C(=O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C,0.0
Cc1cc(-c2ccccc2)cc(C)[n+]1CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nnc(S(N)(=O)=O)s2)cc1,0.0
NS(=O)(=O)c1ccc(C(=O)NNC(=O)Nc2ccc(-c3ccccc3)cc2)cc1,0.0
Cc1cc(-c2ccccc2)cc(C)[n+]1CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)cc2)cc1,0.0
Cc1cc(-c2ccccc2)cc(C)[n+]1CC(=O)Nc1nccc(Nc2ccc(S(N)(=O)=O)cc2)n1,0.0
Cc1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1Cc1ccc(S(N)(=O)=O)cc1,0.0
Cc1cc(-c2ccccc2)cc(C)[n+]1-c1ccc(S(=O)(=O)[N-]c2nnc(S(N)(=O)=O)s2)cc1,0.0
C[C@H](CCC(=O)OCc1ccc(S(N)(=O)=O)cc1)[C@H]1CC[C@H]2[C@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,0.0
Cc1cc(-c2ccccc2)cc(C)[n+]1Cc1ccc(S(N)(=O)=O)cc1,0.0
CCc1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1-c1ccc(S(=O)(=O)[N-]c2nnc(S(N)(=O)=O)s2)cc1,0.0
NS(=O)(=O)c1ccc(C(=O)NCC(=O)N[C@H](Cc2ccc3ccccc3c2)C(=O)[O-])cc1,0.0
Cc1c2cc(c(C)[n+]1-c1ccc(S(=O)(=O)[N-]c3nnc(S(N)(=O)=O)s3)cc1)CCCCCCCCC2,0.0
C[C@H](CCC(=O)Nc1ccc(S(N)(=O)=O)cc1F)[C@H]1CC[C@H]2[C@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,0.0
Cc1cc(-c2ccccc2)cc(C)[n+]1CC(=O)NCc1ccc(S(N)(=O)=O)cc1,0.0
Cc1cc(-c2ccccc2)cc(C)[n+]1CC(=O)Oc1ccc2nc(S(N)(=O)=O)sc2c1,0.0
NS(=O)(=O)c1ccc(Oc2ccccc2)c(C(=O)NCc2ccccc2)c1,0.0
NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)cc2)cc1,0.0
Cc1cc(-c2ccccc2)cc(C)[n+]1CC(=O)Nc1ccc(S(N)(=O)=O)cc1Cl,0.0
NS(=O)(=O)c1nnc([N-]S(=O)(=O)c2ccc(NCc3cc(=O)oc4cc(Cl)ccc34)cc2)s1,0.0
Cc1cc(-c2ccccc2)cc(C)[n+]1CCc1ccc(S(N)(=O)=O)cc1,0.0
Cc1cc(-c2ccccc2)cc(C)[n+]1CC(=O)Nc1ccc2nc(S(N)(=O)=O)sc2c1,0.0
Cc1ccc(NC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,0.0
NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NCc3cc(=O)oc4cc(Cl)ccc34)cc2)cc1,0.0
COc1ccc2c(CC(=O)NNc3ccc(S(N)(=O)=O)cc3)cc(=O)oc2c1,0.0
C[C@@]12CC[C@@H]3c4ccc(OS(N)(=O)=O)cc4CC[C@@H]3[C@@H]1CCC2=O,0.0
Cc1cc(-c2ccccc2)cc(C)[n+]1CC(=O)NNc1ccc(S(N)(=O)=O)cc1,0.0
Cc1cc(-c2ccccc2)cc(C)[n+]1CC(=O)/N=c1/sc(S([NH-])(=O)=O)[nH+]n1C,0.0
Cc1cc(-c2ccccc2)cc(C)[n+]1CC(=O)OCc1ccc(S(N)(=O)=O)cc1,0.0
C[C@H](CCC(=O)Nc1sc(S([NH-])(=O)=O)[nH+][n+]1C)[C@H]1CC[C@H]2[C@H]3C(=O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C,0.0
NS(=O)(=O)c1ccc(CCNC(=O)c2cc3ccccc3oc2=O)cc1,0.0
Cn1nc(S(N)(=O)=O)s/c1=N\Cc1cc(=O)oc2cc(Cl)ccc12,0.0
CC(=O)N1N=C(c2cc(F)ccc2F)C[C@H]1c1cccc(O)c1,0.0
O=C1NC(=O)c2cccc(NC(=O)c3cccc([N+](=O)[O-])c3)c2C1=O,0.0
Cc1nc2ccc(S(=O)(=O)N3CCC[C@H]3COc3ccccc3)cc2c2c1C(=O)N(c1c(C)nn(C)c1C)C2=O,0.0
O=C1C2=[NH+]CC3(CCCCC3)CN2c2ccc(S(=O)(=O)N3CCC[C@H]3COc3ccccc3)cc21,0.0
O=C1C2=[NH+]CC3(CCCC3)CN2c2ccc(S(=O)(=O)N3CCC[C@H]3COc3ccccc3)cc21,0.0
O=C1C2=[NH+]CC3(CCC3)CN2c2ccc(S(=O)(=O)N3CCC[C@H]3COc3ccccc3)cc21,0.0
O=C(CCC(=O)Nc1ccc2c(c1)C(=O)C(=O)NC2=O)NCc1ccccc1,0.0
O=C1C(=O)N(Cc2cn(CCF)nn2)c2ccc(S(=O)(=O)N3CCC[C@H]3COc3ccc(F)cc3F)cc21,0.0
COC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc2nc(C)c3c(c2c1)C(=O)N(c1c(C)nn(C)c1C)C3=O,0.0
CC(C)C[C@H](NC(=O)COc1ccccc1-c1ccccc1)C(=O)N[C@H]1CC(=O)O[C@@H]1O,0.0
CC(C)C[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)O[C@@H]1O,0.0
CC1(C)C[NH+]=C2C(=O)c3cc(S(=O)(=O)N4CCC[C@H]4COc4ccccc4)ccc3N2C1,0.0
CC1(C)C[NH+]=C2C(=O)c3cc(S(=O)(=O)N4CCC[C@H]4C[NH2+]C4CCCCC4)ccc3N2C1,0.0
CC(C)C[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N[C@H]1CC(=O)O[C@@H]1O,0.0
CC(C)C[C@H](NC(=O)COc1cccc(-c2ccccc2)c1)C(=O)N[C@H]1CC(=O)O[C@@H]1O,0.0
O=C1C(=O)N(Cc2ccc(F)nc2)c2ccc(S(=O)(=O)N3CCC[C@H]3COc3ccccc3)cc21,0.0
COC(=O)CN1C(=O)c2c(C)nc3ccc(Br)cc3c2C1=O,0.0
CC(C)C[C@@H](NC(=O)CNc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)O[C@@H]1O,0.0
O=C1C(=O)N(Cc2cccc(F)n2)c2ccc(S(=O)(=O)N3CCC[C@H]3COc3ccccc3)cc21,0.0
O=C1Nc2ccc(S(=O)(=O)N3CCC[C@H]3COc3ccncc3)cc2C1=O,0.0
O=C1NC(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2C1=O,0.0
O=C1C(=O)N(Cc2ccncc2)c2ccc(S(=O)(=O)N3CCC[C@H]3COc3ccccc3)cc21,0.0
CC(C)C[C@H](NC(=O)COc1ccc(-c2ccccc2)cc1)C(=O)N[C@H]1CC(=O)O[C@@H]1O,0.0
CC(C)C[C@@H](NC(=O)[C@H](CCC(=O)[O-])Oc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)O[C@@H]1O,0.0
O=C(Nc1cccc2c1C(=O)C(=O)NC2=O)OCc1ccccc1,0.0
CC(C)C[C@H](NC(=O)CC(=O)c1cccc2ccccc12)C(=O)N[C@H]1CC(=O)O[C@@H]1O,0.0
O=C1Nc2ccc(S(=O)(=O)N3CCC[C@H]3CSc3ccccc3)cc2C1=O,0.0
CC(=O)O[C@@H](C(=O)Nc1cccc2c1C(=O)C(=O)NC2=O)c1ccccc1,0.0
O=C1Nc2ccc(S(=O)(=O)N3CCC[C@H]3CNc3ccccc3)cc2C1=O,0.0
O=C1C(=O)N(Cc2ccnc(F)c2)c2ccc(S(=O)(=O)N3CC[C@H]3COc3ccccc3)cc21,0.0
CC(C)[C@H](NC(=O)COc1cccc2ccccc12)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1ccc(-c2ccccc2)cc1,0.0
O=C1NC(=O)c2ccc(NC(=O)C3CCCCC3)cc2C1=O,0.0
O=C1NC(=O)c2cc(NC(=O)c3ccccc3)ccc2C1=O,0.0
O=C1C(=O)N(Cc2ccc(OCCF)cc2)c2ccc(S(=O)(=O)N3CCC[C@H]3COc3ccccc3)cc21,0.0
CN1C(=O)C(=O)c2cc(S(=O)(=O)N3CCC[C@H]3COc3ccccc3)ccc21,0.0
O=C1C(=O)N(Cc2ccc(F)nc2)c2ccc(S(=O)(=O)N3CC[C@H]3COc3ccccc3)cc21,0.0
O=C1C(=O)N(Cc2ccc(Br)cc2)c2ccc(S(=O)(=O)N3CCC[C@H]3COc3cccnc3)cc21,0.0
CC(C)C[C@H](NC(=O)CCSc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)O[C@@H]1O,0.0
CC1(C)C[NH+]=C2C(=O)c3cc(S(=O)(=O)N4CCC[C@H]4COc4cccnc4)ccc3N2C1,0.0
CC(C)[C@H](NC(=O)COc1cccc2ccccc12)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1cccc2ccccc12,0.0
O=C1NC(=O)c2c1c1c3ccccc3ccc1c1[nH]c3ccccc3c21,0.0
COc1ccc(-c2[nH]nc3c2C(=O)c2c(NC(=O)NNC(=O)c4ccc5ccccc5c4)cccc2-3)cc1,0.0
O=C1NC(=O)C2=C1c1cn(c3ccccc13)CCOCCOCCOCCn1cc2c2ccccc21,0.0
COc1ccc(-c2[nH]nc3c2C(=O)c2c(NC(=O)NNC(=O)c4cccc5ccccc45)cccc2-3)cc1,0.0
COc1ccc(-c2[nH]nc3c2C(=O)c2c(NC(=O)NNC(=O)c4ccccc4O)cccc2-3)cc1,0.0
O=C1NC(=O)c2c1c1c3ccc(F)cc3[nH]c1c1c2c2cccc3c2n1CC[NH2+]C3,0.0
O=C1NC(=O)c2c1c1c3ccc(F)cc3[nH]c1c1c2c2cccc3c2n1[C@@H](CO)CC3,0.0
COc1ccc(-c2[nH]nc3c2C(=O)c2c(NC(=O)NNC(=O)Nc4ccccc4)cccc2-3)cc1,0.0
COc1ccc(-c2[nH]nc3c2C(=O)c2c(NC(=O)NNC(=O)CCc4ccc(O)cc4)cccc2-3)cc1,0.0
COc1ccc(-c2[nH]nc3c2C(=O)c2c(NC(=O)NNC(=O)c4ccncc4)cccc2-3)cc1,0.0
Cn1ccc2ccc3c4[nH]c5cc(OCc6ccccc6)ccc5c4c4c(c3c21)C(=O)NC4=O,0.0
COc1ccc(-c2[nH]nc3c2C(=O)c2c(NC(=O)NNC(=O)c4cccnc4)cccc2-3)cc1,0.0
Cc1cc(CNC(=O)c2nn(C)c3c2CCc2cnc(Nc4ccc(N5CC[NH+](C)CC5)cc4)nc2-3)ccn1,0.0
COc1ccc(-c2[nH]nc3c2C(=O)c2c(NC(=O)NN4CC[NH+](C)CC4)cccc2-3)cc1,0.0
O=C(Cc1ccc(-c2ccccc2)cc1)Nc1n[nH]c2ccc(N3CCCS3(=O)=O)cc12,0.0
Cn1ccc2ccc3c(c4c(c5c6cccc7c6n(c35)C[C@@H](CO)C7)C(=O)NC4=O)c21,0.0
COc1ccc(-c2[nH]nc3c2C(=O)c2c(NC(=O)NNC(=O)Cc4ccccc4)cccc2-3)cc1,0.0
Cn1ccc2ccc3c4[nH]c5c(CC[N@H+]6CC[C@H](C(N)=O)CC6)cccc5c4c4c(c3c21)C(=O)NC4=O,0.0
COc1ccc(-c2[nH]nc3c2C(=O)c2c(NC(=O)CN4CCOCC4)cccc2-3)cc1,0.0
COc1ccc(-c2[nH]nc3c2C(=O)c2c(NC(=O)NN4CCCC4)cccc2-3)cc1,0.0
Cc1cc(N)c2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1,0.0
COc1ccc(-c2[nH]nc3c2C(=O)c2c(NC(=O)NN(C)C)cccc2-3)cc1,0.0
COc1ccc(C(=O)NNC(=O)Nc2cccc3c2C(=O)c2c(-c4ccc(OC)cc4)n[nH]c2-3)cc1,0.0
[NH3+][C@H](CCc1cc(-c2ccc3cnccc3c2)no1)Cc1ccc(C(F)(F)F)cc1,0.0
COc1ccc(-c2[nH]nc3c2C(=O)c2c(NC(=O)NN4CCCCC4)cccc2-3)cc1,0.0
COc1ccc(-c2[nH]nc3c2C(=O)c2c(NC(=O)NCc4ccccc4)cccc2-3)cc1,0.0
COc1ccc(-c2[nH]nc3c2C(=O)c2c(NC(=O)NCc4ccncc4)cccc2-3)cc1,0.0
[NH3+][C@H](CNc1cc(-c2ccc3cnccc3c2)no1)Cc1ccc(C(F)(F)F)cc1,0.0
COc1ccc(-c2[nH]nc3c2C(=O)c2c(NC(=O)Nc4ccccc4)cccc2-3)cc1,0.0
O=C(Cc1ccc(-c2ccncc2)cc1)Nc1n[nH]c2ccc(N3CCCS3(=O)=O)cc12,0.0
COc1ccc(-c2[nH]nc3c2C(=O)c2c(NC(=O)C[NH+]4CCSCC4)cccc2-3)cc1,0.0
[NH3+][C@H](CNc1nnc(-c2ccc3cnccc3c2)o1)Cc1ccc(C(F)(F)F)cc1,0.0
COC(=O)NNC(=O)Nc1cccc2c1C(=O)c1c(-c3ccc(OC)cc3)n[nH]c1-2,0.0
NC(=O)c1nn(-c2ccccc2)c2c1CCc1cnc(Nc3ccccc3)nc1-2,0.0
COc1ccc2cnc(Nc3ccc(N4CCCCC4)cc3)nc2c1C1CCCC1,0.0
C[NH+]1CCN(c2ccc(Nc3ncc4ccc(=O)n(C5CCCCC5)c4n3)cc2)CC1,0.0
O=C1/C(=C/c2cc(O)c(O)c([N+](=O)[O-])c2)CC/C1=C\c1cc(O)c(O)c([N+](=O)[O-])c1,0.0
N#Cc1cc(C(=O)N[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)cc(O)c1O,0.0
O=C(N[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2)c1cc(O)c(O)c([N+](=O)[O-])c1,0.0
Cc1ccc(C(=O)c2cc(O)c(O)c([N+](=O)[O-])c2)cc1,0.0
O=C(/C=C/c1cc(O)c(O)c([N+](=O)[O-])c1)c1ccccc1,0.0
O=C(OCc1ccccc1)c1sc2c([N+](=O)[O-])c([O-])c(O)cc2c1Cl,0.0
O=C(Cc1ccccc1)c1cc(O)c([O-])c([N+](=O)[O-])c1,0.0
O=C(CCCc1ccccc1)c1ccc(O)c(O)c1[N+](=O)[O-],0.0
O=C(CCCCc1ccccc1)c1ccc(O)c(O)c1[N+](=O)[O-],0.0
CC(=O)/C(C)=C/c1cc(O)c(O)c([N+](=O)[O-])c1,0.0
CC(=O)C(=Cc1cc(O)c(O)c([N+](=O)[O-])c1)C(C)=O,0.0
CCCC(=O)OCOC(=O)c1sc2c([N+](=O)[O-])c([O-])c(O)cc2c1Cl,0.0
CCCCOC(=O)c1sc2c([N+](=O)[O-])c([O-])c(O)cc2c1Cl,0.0
CCCOC(=O)c1sc2c([N+](=O)[O-])c([O-])c(O)cc2c1Cl,0.0
CC(C)C(=O)OCOC(=O)c1sc2c([N+](=O)[O-])c([O-])c(O)cc2c1Cl,0.0
CCOC(=O)/C(C#N)=C/c1cc(O)c([O-])c([N+](=O)[O-])c1,0.0
CCCC(=O)O[C@H](C)OC(=O)c1sc2c([N+](=O)[O-])c([O-])c(O)cc2c1Cl,0.0
CC(C)[C@@H](N)C(=O)OCOC(=O)c1sc2c([N+](=O)[O-])c([O-])c(O)cc2c1Cl,0.0
CN(C)C(=O)/C(C#N)=C/c1cc(O)c(O)c([N+](=O)[O-])c1,0.0
CC(C)OC(=O)c1sc2c([N+](=O)[O-])c([O-])c(O)cc2c1Cl,0.0
CCN(CC)C(=O)/C(C#N)=C/c1cc(O)c(O)c([N+](=O)[O-])c1,0.0
COC(=O)c1sc2c([N+](=O)[O-])c([O-])c(O)cc2c1Cl,0.0
O=C([O-])c1sc2c([N+](=O)[O-])c([O-])c(O)cc2c1Cl,0.0
CC(=O)c1cc(O)c([O-])c([N+](=O)[O-])c1,0.0
CC(C)C(=O)O[C@H](C)OC(=O)c1sc2c([N+](=O)[O-])c([O-])c(O)cc2c1Cl,0.0
CCCNC(=O)c1cc(O)c(O)c(O)c1,0.0
O=C([O-])c1cc(O)c(O)c([N+](=O)[O-])c1,0.0
O=[N+]([O-])c1cc(CO)cc(O)c1O,0.0
O=Cc1cc(O)c([O-])c([N+](=O)[O-])c1,0.0
N#CC(C#N)=Cc1cc(O)c([O-])c([N+](=O)[O-])c1,0.0
O=Cc1cc(O)c(O)c(C=O)c1,0.0
O=[N+]([O-])c1cc(Cl)cc(O)c1O,0.0
CC(C)(c1cc(-c2cccc(-c3cccnc3)c2)c2ncccc2c1)S(C)(=O)=O,0.0
Cc1[nH]c2ccc(OC(F)(F)F)cc2c1Cc1cccc(O[C@@H](C)C(=O)[O-])c1,0.0
CC(C)(c1cc(-c2cccc(-c3ccncc3)c2)c2ncccc2c1)S(C)(=O)=O,0.0
C[C@@H](Oc1cc(-n2cnc3cc(-c4cc[nH+]c(N5CCOCC5)c4)ccc32)sc1C(N)=O)c1ccccc1C(F)(F)F,0.0
[NH3+]Cc1ccc(F)c(C2CCN(C(=O)c3cccc(-c4nc(-c5cccs5)no4)c3)CC2)c1,0.0
Cc1cc(C)c2nc(-c3ccncc3)cc(C(=O)Nc3ccc4ccccc4c3)c2c1,0.0
Cc1oc(-c2ccccc2)nc1CCOc1cccc(C[C@@H]2C(=O)N(c3ccc(C(C)(C)C)cc3)[C@@H]2C(=O)[O-])c1,0.0
CC1=NC(c2ccccc2)=N[C@H](c2ccc(F)cc2)/C1=C(\[O-])Nc1ccc2[nH]ncc2c1,0.0
O=C(NCc1cccc2ccccc12)c1cc(-c2ccncc2)nc2ccccc12,0.0
C[C@@H](Oc1cc(-n2cnc3cc(-c4ccnc(N)n4)ccc32)sc1C(N)=O)c1ccccc1C(F)(F)F,0.0
O=C(CCc1ccc2c(ccc3[nH]ncc32)c1)Nc1ccccc1C(=O)[O-],0.0
C[C@@H](Oc1cc(-n2cnc3cc(-c4cc[nH+]c(NCCO)c4)ccc32)sc1C(N)=O)c1ccccc1Cl,0.0
CC(C)(c1cc(-c2cccc(-c3ccc(S(C)(=O)=O)cc3)c2)c2ncccc2c1)S(C)(=O)=O,0.0
Cc1n[nH]c2ccc(-c3cc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)cnc3-c3ccoc3)cc12,0.0
Cc1ccc(OC(=O)N(CC(=O)[O-])Cc2cccc(OCc3nc(-c4cccc(Cl)c4)oc3C)c2)cc1,0.0
CC(C)(C)Sc1c(CC(C)(C)C(=O)[O-])n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4n3)cc12,0.0
Cc1cc(-n2ccnc2)cc2[nH]c(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)nc12,0.0
O=C(NCc1cccc2ccccc12)c1cc(-c2cccnc2)nc2ccccc12,0.0
O=C(Nc1ccccc1)c1cc(-c2ccncc2)nc2ccccc12,0.0
O=C(CCc1ccc(-c2ccc(O)cc2Cl)cc1)Nc1ccccc1C(=O)[O-],0.0
C[C@@H](Oc1cc(-n2cnc3cc(-c4cnn(C)c4)ccc32)sc1C(N)=O)c1ccccc1Cl,0.0
C[C@@H](Oc1cc(-n2cnc3cc(-c4ccncc4)ccc32)sc1C(N)=O)c1ccccc1Cl,0.0
CC(C)(c1cc(-c2cccc(-c3cccc(S(C)(=O)=O)c3)c2)c2ncccc2c1)S(C)(=O)=O,0.0
CC(C)(C)C(=O)[C@H](Cc1cccc(-c2cc(C(C)(C)S(C)(=O)=O)cc3cccnc23)c1)c1ccc(S(C)(=O)=O)cc1,0.0
Cc1c2ccc(N(C)c3cc[nH+]c(Nc4cccc(S(N)(=O)=O)c4)n3)cc2nn1Cc1ccccc1,0.0
CCn1cc(-c2ccnc3[nH]ccc23)c(-c2cccc(NC(=O)Nc3cccc(OC)c3)c2)n1,0.0
CC(=O)[C@H](Cc1cccc(-c2cc(C(C)(C)S(C)(=O)=O)cc3cccnc23)c1)c1ccc(S(C)(=O)=O)cc1,0.0
C[C@@H](Oc1cc(-n2cnc3cc(-c4cnn(CCC[NH+](C)C)c4)ccc32)sc1C(N)=O)c1ccccc1Cl,0.0
Cc1cc(Br)cc2[nH]c(-c3c(N[C@H](CO)Cc4ccccc4)cc[nH]c3=O)nc12,0.0
Cn1c[nH+]cc1[C@@](N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc3ccccc13)cc(=O)n2C,0.0
Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cccnc5)c[nH+]c(N)c34)cc2)c1,0.0
Oc1ccc(-c2ccc3c(c2)CCC=C3c2ccncc2)cc1O,0.0
Cc1c[nH+]c(-c2cc(C)c3nc(-c4c(NC[C@@H](O)c5cccc(Cl)c5)cc[nH]c4=O)[nH]c3c2)[nH]1,0.0
C[C@@H]1CN(Cc2ccc(-c3ccccc3C(=O)N3CCC(Cc4ccc(F)cc4)CC3)cc2)C[C@H](C)[NH2+]1,0.0
Cc1cc(N2CCC3(CC2)OCCO3)cc2[nH]c(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)nc12,0.0
CC1=NC(c2ccccc2)=N[C@H](c2ccc(F)cc2)/C1=C(\[O-])Nc1ccc2[nH]ncc2c1,0.0
Cc1cc(N2CCC(O)CC2)cc2[nH]c(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)nc12,0.0
O=S(=O)(Nc1ccc2c(c1)CCN(Cc1cc[nH]n1)CC2)c1ccc(-c2ccccc2)cc1,0.0
O=C(c1cccc(Cl)c1)c1cc(Cc2ccc([O-])nn2)cc2ccoc12,0.0
Cc1cccc2[nH]c(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)nc12,0.0
[O-]c1ccc(Cc2cc(Cc3cccc(Cl)c3)c3occc3c2)nn1,0.0
CC(C)=C(c1ccncc1)c1ccc(-c2ccc(O)c(O)c2)cc1,0.0
Cc1n[nH]c2ccc(-c3cc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)cnc3-c3ccoc3)cc12,0.0
COc1cc2[nH+]ccc(Oc3ccc4c(C(=O)Nc5ccncc5)cccc4c3)c2cc1OC,0.0
Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)nc12,0.0
O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)N[C@H]1CC[N@H+](Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1,0.0
Cc1n[nH]c2ncc(-c3cc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)cnc3-c3ccoc3)cc12,0.0
CC(C)c1c(-c2nnc(N3CCC([NH3+])CC3)o2)cn2ncnc(Nc3cc(C(=O)NC4CC4)c(F)cc3F)c12,0.0
N[C@@H](C(=O)N1CCC(Nc2ccc3[nH]ncc3c2)CC1)c1cccc(Cl)c1,0.0
C[C@@H](Oc1cc(-n2cnc3cc(-c4cnn(CCN5CC[NH+](C)CC5)c4)ccc32)sc1C(N)=O)c1ccccc1Cl,0.0
CC(C)(C)Sc1c(CC(C)(C)C(=O)[O-])n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4n3)cc12,0.0
Cc1cc(-n2ccnc2)cc2[nH]c(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)nc12,0.0
Cc1n[nH]c2ccc(-c3cc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)cnc3-c3ccoc3)nc12,0.0
CC(C)S(=O)(=O)n1c(N)nc2ccc(-c3[nH]c(-c4c(F)cccc4F)nc3-c3ccccc3)cc21,0.0
Oc1cccc(-c2ccc(Cc3ccncc3)cc2)c1,0.0
O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(NCCN2CCOCC2)cc1)/N=N\c1c(O)[nH]c2ccccc12,0.0
O=c1c(-c2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,0.0
C[C@@H](Oc1cc(-n2cnc3cc(-c4cnn(C)c4)ccc32)sc1C(N)=O)c1ccccc1Cl,0.0
C[C@@H](Oc1cc(-n2cnc3cc(-c4ccncc4)ccc32)sc1C(N)=O)c1ccccc1Cl,0.0
Cc1cc2cc(N/C(=N\C(=O)c3cccnc3)[N-][C@H]3CCCCN(CC(=O)N4CCCC4)C3=O)ccc2o1,0.0
Cc1cc(-c2ccc(-c3cccc(O)c3)s2)ccc1O,0.0
COc1ccc(N2C(=O)[C@@H](Cc3cccc(OCCc4nc(-c5ccccc5)oc4C)c3)[C@H]2C(=O)[O-])cc1,0.0
CN(Cc1[nH+]cc2ccccc2c1CCC[NH+](C)C)[C@H]1CCCc2cccnc21,0.0
N#CCCCCN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc21,0.0
[NH3+]Cc1ccccc1CN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc21,0.0
[NH3+]C/C=C\CN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc21,0.0
[NH3+]CCCCCCN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc21,0.0
[NH3+]CCCCCN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc21,0.0
CN(Cc1nc2ccccc2n1[C@H]1CC[N@H+](C)CC1)[C@@H]1CCCc2cccnc21,0.0
[NH3+]CCCCN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc21,0.0
[NH3+]C/C=C/CN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc21,0.0
CC1(C)C[n+]2c(CS/C(NC3CCCCCC3)=[NH+]\C3CCCCCC3)csc2N1,0.0
[NH3+]CCCN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc21,0.0
c1ccc(C[NH2+]Cc2ccc(CN3CCC[NH2+]CCNCCC[NH2+]CC3)cc2)nc1,0.0
[NH3+]Cc1ccc(CN(Cc2nc3ccccc3[nH]2)[C@@H]2CCCc3cccnc32)cc1,0.0
c1sc2[n+](c1CS/C(NC1CCCCCC1)=[NH+]\C1CCCCCC1)CCN2,0.0
CN(Cc1nc2ccccc2n1CCC[NH3+])[C@@H]1CCCc2cccnc21,0.0
c1sc2[n+](c1CS/C(NC1CCCCC1)=[NH+]\C1CCCCC1)CCN2,0.0
c1sc2[n+](c1CS/C(NC1CCCCCC1)=[NH+]\C1CCCCC1)CCN2,0.0
C[NH+](C)CCCCN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc21,0.0
CC(C)(C)[C@H]1CC[C@H](N/C(=[NH+]/C2CCCCC2)SCc2csc3[n+]2CCN3)CC1,0.0
[NH3+]CC#CCN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc21,0.0
c1sc2[n+](c1CS/C(NC1CCCC1)=[NH+]\C1CCCCC1)CCN2,0.0
c1sc2[n+](c1CS/C(N[C@]13C[C@H]4C[C@H](C[C@H](C4)C1)C3)=[NH+]\C1CCCCC1)CCN2,0.0
CC1(C)C[n+]2c(CS/C(NC3CCCCC3)=[NH+]\C3CCCCC3)csc2N1,0.0
c1sc2[n+](c1CS/C(NC1CCCC1)=[NH+]\C1CCCC1)CCN2,0.0
c1sc2[n+](c1CS/C(NC1CCCCCCC1)=[NH+]\C1CCCCC1)CCN2,0.0
C[NH2+]CCCCN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc21,0.0
c1sc2[n+](c1CS/C(NC1CCCCCCC1)=[NH+]\C1CCCCCCC1)CCN2,0.0
c1sc2[n+](c1CS/C(NC1CCCCC1)=[NH+]\C1CCCCC1)CCCN2,0.0
CN(/C(=[NH+]/C1CCCCC1)SCc1csc2[n+]1CCN2)C1CCCCC1,0.0
CCCCCCN/C(=[NH+]/C1CCCCC1)SCc1csc2[n+]1CCN2,0.0
O=C(CN1Cc2c(Cl)cccc2N(CCCc2ccccc2)S1(=O)=O)NO,0.0
O=C(NO)[C@H](NCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12,0.0
O=C(C[C@H]1Sc2ccccc2N(CCC2CCCCC2)C1=O)NO,0.0
O=CN(O)C[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1,0.0
O=C(C[C@@H]1Sc2ccccc2N(CCc2ccccc2)C1=O)NO,0.0
O=C(NO)[C@H](NCc1cccc(C(F)(F)F)c1)c1ccccc1F,0.0
COc1cccc([C@@H](NCc2cccc(C(F)(F)F)c2)C(=O)NO)c1,0.0
CC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN(O)C=O)C(=O)c1ccc(N2CCC(O)CC2)cc1,0.0
CC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN(O)C=O)C(=O)c1cc(F)c(F)cc1N1CCN(CCO)CC1,0.0
CCCC[C@H](CC(=O)NO)S(=O)(=O)c1ccc2ccccc2c1,0.0
O=C(C[C@H]1Sc2ccccc2N(CC2CCCCC2)C1=O)NO,0.0
O=C(C[C@@H]1Cc2ccccc2N(CC2CC2)C1=O)NO,0.0
CCCC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)N1CCC(Cc2ccccc2)CC1)C(C)(C)C,0.0
CC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN(O)C=O)C(=O)c1ccc(N2CCC[C@H]2CO)c(F)c1,0.0
O=C(C[C@@H]1Sc2ccccc2N(Cc2ccccc2)C1=O)NO,0.0
O=CN(O)C[C@@H](CC1CC1)C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1,0.0
O=C(C[C@H]1Sc2ccccc2N(CC2CCC2)C1=O)NO,0.0
O=C(C[C@H]1Sc2ccccc2N(CC(=O)Nc2ccccn2)C1=O)NO,0.0
CC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN(O)C=O)C(=O)c1ccc(N2CC[NH+](CCN3CCOCC3)CC2)cc1,0.0
CC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN(O)C=O)C(=O)c1ccc(N2CCC[C@H]2CO)cc1,0.0
CC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN(O)C=O)C(=O)c1cc2ccccc2o1,0.0
O=CN(O)C[C@@H](CC1CC1)C(=O)N1CCC[C@H]1c1nc2ccccc2o1,0.0
CC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN(O)C=O)C(=O)c1cc(F)c(F)cc1N1CCOCC1,0.0
CCC[C@H](CN(O)C=O)C(=O)N1CCC[C@H]1c1nc2ccccc2o1,0.0
O=C(C[C@H]1Sc2ccccc2N(CCC2OCCO2)C1=O)NO,0.0
CC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN(O)C=O)C(=O)c1ccc(N2CCN(CCO)CC2)cc1,0.0
O=C(CN1Cc2c(cccc2C(F)(F)F)NS1(=O)=O)NO,0.0
CC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN(O)C=O)C(=O)c1ccc(N2CCC(O)CC2)c(F)c1,0.0
CC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN(O)C=O)C(=O)c1ccc(N2CCOCC2)c(F)c1,0.0
O=C(CN1Cc2c(Cl)cccc2N(CC2CC2)S1(=O)=O)NO,0.0
O=C(C[C@@H]1Cc2ccccc2NC1=O)NO,0.0
CC(C)CCN1C(=O)[C@H](CC(=O)NO)Sc2ccccc21,0.0
CC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN(O)C=O)C(=O)c1ccc(N2CCOCC2)cc1,0.0
O=C(C[C@H]1Sc2ccccc2N(CC(=O)N2CCCC2)C1=O)NO,0.0
CCCCCN1C(=O)[C@H](CC(=O)NO)Sc2ccccc21,0.0
O=C(C[C@H]1Sc2ccccc2N(C[C@@H]2CCCCO2)C1=O)NO,0.0
O=C(N1CCCCC1)[C@@]12C[C@H]3C[C@@H](C1)C[C@](c1ccccc1)(C3)C2,0.0
Cn1c(-c2cccc(-c3ccccc3)c2)nnc1C1(c2ccc(Cl)cc2)CCC1,0.0
O=C(c1cccc(-c2ccccc2-c2ccccc2)n1)N1CCC[C@H]2CCCC[C@@H]21,0.0
COc1cc(C(=O)N2CCC(n3c(=O)sc4ccccc43)CC2)ccc1C,0.0
O=C(N1CC[C@]2(CCCc3ccccc32)C1)C1(c2ccc(Cl)cc2)CC1,0.0
Cc1ccc(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1C,0.0
C1CCCn2c(nnc2[C@]23CC[C@](c4nc(CC5CC5)no4)(CC2)CC3)CC1,0.0
C[C@@H]1CC(n2c(=O)oc3ccccc32)C[C@@H](C)N1C(=O)c1cc(Cl)c(N)c(Cl)c1,0.0
O=C(c1ccc2ccoc2c1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,0.0
O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCN(c2ncccc2C(F)(F)F)CC1,0.0
Cn1c(-c2ccccc2C(F)(F)F)nnc1[C@]12CC[C@](c3[nH]cc(-c4ccc(F)cc4)[nH+]3)(CC1)CC2,0.0
Cc1noc([C@]23CC[C@](c4nnc5n4CCCCCC5)(CC2)CC3)n1,0.0
CC(C)(Oc1ccccc1Cl)C(=O)N[C@@H]1[C@@H]2C[C@@H]3C[C@H]1C[C@@](/C([O-])=N/S(=O)(=O)c1ccccc1)(C3)C2,0.0
COc1ccc(C(=O)N2CCC[C@@H](c3ccccc3)CC2)cc1,0.0
O=C(N[C@H]1[C@@H]2C[C@H]3C[C@@H](C2)C[C@@H]1C3)N1CCC[C@@H](c2ccccc2)C1,0.0
O=S(=O)(c1cccc2ccccc12)N1CCN(c2ncccc2C(F)(F)F)CC1,0.0
O=C(N[C@H]1[C@@H]2C[C@H]3C[C@@H](C2)C[C@@H]1C3)N1CCCC[C@H]1Cc1ccccc1,0.0
Cn1cc(-c2noc([C@]34CC[C@](c5nnc(-c6ccccc6C(F)(F)F)n5C)(CC3)CC4)n2)ccc1=O,0.0
Cn1c(-c2ccc(-c3cccnc3)cc2Cl)nnc1C1(c2ccc(Cl)cc2)CCC1,0.0
COC(=O)N1CCN(c2cccc(S(=O)(=O)N3CCN(c4ccc(F)cc4C(F)(F)F)C[C@H]3C)c2)CC1,0.0
C[C@@H]1CN(c2ccc(F)cc2C(F)(F)F)CCN1S(=O)(=O)c1cccc(-n2cnnc2)c1,0.0
CC1CCN(C(=O)c2cc(CS(=O)(=O)c3c(Cl)cccc3Cl)ccn2)CC1,0.0
CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@@H]1[C@@H]2C[C@@H]3C[C@H]1C[C@@](C(=O)NCc1ccc(-c4nnn[n-]4)cc1)(C3)C2,0.0
Cn1c(-c2ccccc2Cl)nnc1C1(c2ccc(Cl)cc2)CCC1,0.0
O=C(N[C@H]1[C@@H]2C[C@H]3C[C@@H](C2)C[C@@H]1C3)N1CCC(Cc2ccccc2)CC1,0.0
O=C(Nc1cccc(C(=O)N2CCC[C@@H]3CCCC[C@H]32)c1)c1ccccc1,0.0
[NH3+][C@@H](CC(=O)N1CCC[C@H]1c1nc(-c2ncc(F)cc2F)no1)Cc1cc(F)c(F)cc1F,0.0
COc1cc2c(cc1OC)-c1nc(N)c(C[NH3+])c(-c3ccc(Cl)cc3Cl)c1C2,0.0
[NH3+][C@H]1CN(c2ccc3ccccc3[nH+]2)CC[C@@H]1c1cc(F)c(F)cc1F,0.0
CN(C)C(=O)[C@@H](c1ccc(-c2ccc(F)cc2)cc1)[C@H](N)C(=O)N1CC(F)C1,0.0
[NH3+][C@H](Cc1cc(F)c(F)cc1F)C1CCN(C(=O)c2ccc(F)cc2F)CC1,0.0
[NH3+][C@@H](CC(=O)N1CCn2c(nnc2-c2ccc(F)cc2F)C1)Cc1cc(F)ccc1F,0.0
COc1cc2c(cc1OC)[C@@H]1C[C@@H]([NH3+])[C@@H](c3cc(CF)ccn3)CN1CC2,0.0
COc1cc2c(cc1OC)[C@@H]1C[C@@H]([NH3+])[C@@H](c3cccc(C4CC4)c3)CN1CC2,0.0
[NH3+][C@H]1CN(c2cc(-c3cccc(C(=O)[O-])c3)ncn2)C[C@H]1c1cc(F)c(F)cc1F,0.0
CS(=O)(=O)c1cccc(-c2cc(N3C[C@H]([NH3+])[C@@H](c4cc(F)c(F)cc4F)CC3=O)ncn2)c1,0.0
[NH3+][C@H](Cc1cc(F)c(F)cc1F)C1CCN(C(=O)c2cc3ccccc3cn2)CC1,0.0
[NH3+][C@@H](CC(=O)N1CCC[C@H]1c1ncn(-c2ccccn2)n1)Cc1cc(F)c(F)cc1F,0.0
[NH3+][C@@H](CC(=O)N1CCC[C@H]1c1nc(-c2cnccn2)no1)Cc1cc(F)c(F)cc1F,0.0
[NH3+][C@@H]1Cn2c(nc3ncccc32)C[C@H]1c1cc(F)c(F)cc1F,0.0
C[C@@H](c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1)[C@H](N)C(=O)N1CC[C@H](F)C1,0.0
[NH3+][C@H]1CN(c2cc(N3CCn4cc(C(F)(F)F)nc4C3)ncn2)C(=O)C[C@@H]1c1cc(F)c(F)cc1F,0.0
[NH3+][C@@H](CC(=O)N1CCC[C@H]1c1nc(-c2ncccn2)no1)Cc1cc(F)c(F)cc1F,0.0
NC(=O)c1cccc(OCC2=CC[C@H](c3cc(F)c(F)c(F)c3)[C@@H]([NH3+])C2)c1,0.0
[NH3+][C@@H](CC(=O)N1CCc2c(noc2C(F)(F)F)C1)Cc1cc(F)ccc1F,0.0
CC#CCn1c(N2CCC[C@@H]([NH3+])C2)[nH+]c2ccn(Cc3[nH+]c(C)cc4ccccc34)c(=O)c21,0.0
NC(=O)c1cccc(NCC2=CC[C@H](c3cc(F)c(F)c(F)c3)[C@@H]([NH3+])C2)c1,0.0
NC(=O)c1cccc(NC(=O)C2=CC[C@H](c3cc(F)c(F)c(F)c3)[C@@H]([NH3+])C2)c1,0.0
CS(=O)(=O)c1ccc(-c2nc3c(s2)CCN(C(=O)C[C@H]([NH3+])Cc2cc(F)ccc2F)C3)cc1,0.0
[NH3+][C@H](C(=O)N1CCCC1)[C@H]1CC[C@H](NC(=O)c2cccc3ccccc23)CC1,0.0
[NH3+][C@@H](CC(=O)N1CCn2c(nnc2-c2ccncc2)C1)Cc1cc(F)ccc1F,0.0
[NH3+][C@H](Cc1cc(F)c(F)cc1F)C1CCN(C(=O)c2cnc3ncccn23)CC1,0.0
[NH3+][C@H](C(=O)N1CCSC1)[C@H]1CC[C@H](NC(=O)Nc2cccc3ccccc23)C1,0.0
[NH3+][C@H](C(=O)N1CCSC1)[C@H]1CC[C@H](NC(=O)c2cccc3ccccc23)CC1,0.0
[NH3+][C@@H](CC(=O)N1CCCNC(=O)[C@H]1Cc1ccccc1)Cc1cc(F)c(F)cc1F,0.0
CC#CCn1c(N2CCC[C@@H]([NH3+])C2)[nH+]c2ccn(Cc3cccc4ccccc34)c(=O)c21,0.0
[NH3+][C@@H](CC(=O)N1CCc2c(n[nH]c2C(F)(F)F)C1)Cc1cc(F)ccc1F,0.0
Cc1ncc(C)c(C(=O)N2CCC([C@H]([NH3+])Cc3cc(F)c(F)cc3F)CC2)n1,0.0
C[N@@H+]1CCc2cc(-c3cccc4c3oc3ccccc34)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3,0.0
C[C@@H]1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3,0.0
COc1ccc2c(c1)CC[C@H]1C[N@H+](CC[C@H]3CC[C@H](NC(=O)c4ccc5ccccc5c4)CC3)CCN21,0.0
O=C1c2ccccc2C(=O)N1CCCC[N@@H+]1CC[C@@H]2[C@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1,0.0
COc1ccccc1N1CCN(C/C=C/CNC(=O)c2ccc3c(c2)Cc2ccccc2-3)CC1,0.0
O=C(NCCCC[NH+]1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1)c1ccc2ccccc2c1,0.0
C[N@@H+]1CCc2cc(-c3ccc(O)cc3)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3,0.0
COc1ccc2c(c1)CC[C@H]1C[N@H+](CC[C@H]3CC[C@H](NC(=O)c4ccnc5ccccc45)CC3)CCN21,0.0
O[C@]1(c2ccc(Cl)cc2)C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1coc2c1ccc1ccccc12,0.0
O[C@]1(c2ccc(Cl)cc2)C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1coc2ccc3ccccc3c12,0.0
O=C(NCCCCCC[N@@H+]1CC[C@@H]2[C@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)c1ccccc1,0.0
Cc1ccc2c(-c3nnc(SCCC[N@@H+]4CCc5ccc6oc(C(F)(F)F)nc6c5CC4)n3C)cccc2n1,0.0
O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2Cl)CC1)C1c2ccccc2-c2ccccc21,0.0
O=c1oc2ccccc2n1CCCC[N@@H+]1CC[C@@H]2[C@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1,0.0
O=C(NCCCC[NH+]1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)-c1ccccc1C2,0.0
O=C(NCCCC[NH+]1CCN(c2cccc(Cl)c2Cl)CC1)C1c2ccccc2-c2ccccc21,0.0
C=CC[N@@H+]1CCc2cccc3c2[C@@H]1Cc1cccc(O)c1-3,0.0
Fc1ccc(C(CCC[N@H+]2CC[C@H](c3noc4cc(F)ccc43)CC2)c2ccc(F)cc2)cc1,0.0
O=c1[nH]c2ccccc2n1[C@H]1CC[N@H+](CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,0.0
O[C@]1(c2ccc(Cl)c(Cl)c2)C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c[nH]c2ccccc12,0.0
O=C(NCCCC[NH+]1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2c1-c1ccccc1C2=O,0.0
O=S(=O)(N[C@H]1CC[C@H](CC[N@H+]2CC[C@H](Cc3cccc(C(F)(F)F)c3)CC2)CC1)c1ccc(-n2cccn2)cc1,0.0
O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2cccc(=O)[nH]2)cc1,0.0
CCC[N@H+](CCN1CCN(C(=O)c2n[nH]c3ccccc23)CC1)[C@@H]1CCc2c(O)cccc2C1,0.0
Nc1nc(N2CC[NH2+]CC2)c2c([nH+]1)C1=C(CC2)O[C@H]2CCCC[C@@H]12,0.0
O=S(=O)(N[C@H]1CC[C@H](CC[N@H+]2CC[C@H](Cc3cccc(C(F)(F)F)c3)CC2)CC1)c1ccc(Cl)cc1,0.0
O=C1COc2ccc(S(=O)(=O)N[C@H]3CC[C@H](CC[N@H+]4CC[C@H](Oc5cccc(C(F)(F)F)c5)CC4)CC3)cc2N1,0.0
O=C(NCCCC[NH+]1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)-c1ccccc1-2,0.0
O=C1NCN(c2ccccc2)C12CCN(Cc1ccc3nsnc3c1)CC2,0.0
O=C(CCC[N@@H+]1CC[C@@H]2[C@@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)c1ccc(F)cc1,0.0
Cc1c(CNc2ccc3c4c(cccc24)-c2ccccc2-3)cnc2[nH+]c(N)nc(N)c12,0.0
Cc1c(CNc2c3ccccc3cc3ccccc23)cnc2[nH+]c(N)nc(N)c12,0.0
Cc1c(C[NH2+]C2c3ccccc3-c3ccccc32)cnc2[nH+]c(N)nc(N)c12,0.0
Cc1c(CNc2ccc3ccc4cccc5ccc2c3c45)cnc2[nH+]c(N)nc(N)c12,0.0
Cc1c(CNc2ccc3c(c2)Cc2ccccc2-3)cnc2[nH+]c(N)nc(N)c12,0.0
Nc1nc(N)c2nc(Cn3c4ccccc4c4ccccc43)cnc2n1,0.0
CN(c1ccc2ccccc2c1)c1ccc2[nH+]c(N)nc(N)c2n1,0.0
Nc1nc(N)c2nc(CN3c4ccccc4Cc4ccccc43)cnc2n1,0.0
Cc1c(CCc2cccc3ccccc23)cnc2[nH+]c(N)nc(N)c12,0.0
COc1cc(-c2ccccc2)ccc1NCc1cnc2[nH+]c(N)nc(N)c2c1C,0.0
CCN(Cc1ccc2ccccc2c1)c1ccc2[nH+]c(N)nc(N)c2c1,0.0
CC1(C)[NH+]=C(N)N=C(N)N1c1cccc(COc2cccc3ccccc23)c1,0.0
Cc1c(CNc2ccc3ccccc3c2)cnc2[nH+]c(N)nc(N)c12,0.0
CC1(C)[NH+]=C(N)N=C(N)N1c1cccc(COc2cccc(-c3ccccc3)c2)c1,0.0
Nc1nc(N)c2nc(CSc3ccc4ccccc4c3)ccc2[nH+]1,0.0
CCN(Cc1cccc2ccccc12)c1ccc2[nH+]c(N)nc(N)c2c1,0.0
COc1ccc(-c2ccccc2)cc1NCc1cnc2[nH+]c(N)nc(N)c2c1C,0.0
CC1(C)[NH+]=C(N)N=C(N)N1c1cccc(COc2ccc3ccccc3c2)c1,0.0
Nc1nc(N)c2nc(CCc3cccc4ccccc34)cnc2n1,0.0
COc1cc2c(cc1OC)CN(Cc1cnc3[nH+]c(N)nc(N)c3c1C)CC2,0.0
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])c2ccccc12,0.0
Nc1nc(N)c2c(C#Cc3ccccc3)cccc2[nH+]1,0.0
CCc1[nH+]c(N)nc(N)c1-c1ccc(N(C)Cc2ccc(C3=NC(C)(C)CO3)cc2)c([N+](=O)[O-])c1,0.0
CC1(C)[NH+]=C(N)N=C(N)N1c1cccc(OCc2ccccc2)c1,0.0
COc1cc([C@H](C)C#Cc2c(N)nc(N)[nH+]c2C)ccc1-c1ccccc1C,0.0
Nc1nc(N)c2nc(CN3c4ccccc4CCc4ccccc43)cnc2n1,0.0
Nc1nc(N)c2nc(CN3c4ccccc4Sc4ccccc43)cnc2n1,0.0
CC(=O)Nc1cccc(OCc2cccc(N3C(N)=NC(N)=[NH+]C3(C)C)c2)c1,0.0
Cc1c(CNc2ccc3ncccc3c2)cnc2[nH+]c(N)nc(N)c12,0.0
CCc1[nH+]c(N)nc(N)c1-c1ccc(NCc2ccc(C(=O)N3CCCCC3)cc2)c([N+](=O)[O-])c1,0.0
Nc1nc(N)c2cc(CNc3ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])c4ccccc34)cnc2n1,0.0
Cc1ccc2nc(SC/C=C/c3ccccc3)n(Cc3ccccc3)c(=O)c2c1,0.0
COc1ccc(S(=O)(=O)c2ccc3[nH+]c(N)nc(N)c3n2)cc1OC,0.0
COc1ccc(OCc2ccccc2)c(Cc2cnc3nc(N)nc(N)c3c2C)c1,0.0
Cc1cc(C(=O)N2CCOCC2)[nH]c1/C=C1\C(=O)Nc2ncnc(Nc3ccc4c(ccn4Cc4ccccc4)c3)c21,0.0
Cc1cc(C(=O)N2CCOCC2)[nH]c1/C=C1\C(=O)Nc2ncnc(Nc3ccc4c(cnn4Cc4ccccc4)c3)c21,0.0
Fc1cccc(COc2ccc(Nc3ncnc4sc(-c5ccc(C[NH2+]Cc6ccccc6)o5)cc34)cc2Cl)c1,0.0
COc1ccccc1Cc1nc2ccc(-c3nn([C@H]4CC[C@H](N5CC[NH+](CC6CC6)CC5)CC4)c4ncnc(N)c34)cc2[nH]1,0.0
COc1ccccc1Cc1nc2ccc(-c3nn([C@H]4CC[C@H]([C@H]5CC[N@H+](C)CC5)CC4)c4ncnc(N)c34)cc2[nH]1,0.0
COc1cc2c(cc1OC)Oc1ncnc(Nc3ccc4ccccc4c3)c1NC2,0.0
Cc1c(C(=O)N2CCN(C)CC2)c[nH]c1/C=C1\C(=O)Nc2ncnc(Nc3ccc(F)c(Cl)c3)c21,0.0
Clc1cccc(Nc2ncnc3[nH]c(-c4ccccc4)c(-c4ccccc4)c23)c1,0.0
Nc1ncnc2c1c(-c1cccc(O)c1)cn2C1CCCC1,0.0
O=C(CCn1ncc2cc3c(Nc4cccc(Br)c4)ncnc3cc21)N1CCOCC1,0.0
O=C(O[C@H]1CN[C@H](C#Cc2cc3ncnc(Nc4ccc5c(cnn5Cc5cccc(F)c5)c4)c3s2)C1)N1CCOCC1,0.0
Fc1cccc(COc2ccc(Nc3ncnc4nn5ccccc5c34)cc2Cl)c1,0.0
Cc1cc(C(=O)N2CCOCC2)[nH]c1/C=C1\C(=O)Nc2ncnc(Nc3ccc(F)c(Cl)c3)c21,0.0
Cc1c(-c2ccccc2)[nH]c2ncnc(Nc3cccc(Cl)c3)c12,0.0
O=C(/C=C/CN1CCC([NH+]2CCCCC2)CC1)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1,0.0
Cc1ccc(NC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)cc1-c1ccc2ccncc2c1,0.0
C[NH+]1CCN(Cc2ccc(-c3cc4ncnc(Nc5ccc(OCc6cccc(F)c6)c(Cl)c5)c4s3)o2)CC1,0.0
Brc1cccc(Nc2ncnc3ccc(N/N=[NH+]\Cc4ccccn4)cc23)c1,0.0
Cc1[nH]c2ncnc(Nc3cccc(Cl)c3)c2c1-c1ccccc1,0.0
Nc1ncnc2c1ncn2[C@H]1O[C@H](COC(=O)c2ccc(S(=O)(=O)Oc3ccc(/C=C/[N+](=O)[O-])cc3)cc2)[C@@H](O)[C@H]1O,0.0
O=C(Oc1ccc2ccccc2c1)c1cc(NCc2cc(O)ccc2O)ccc1O,0.0
O=c1c(-c2cccc(Cl)c2)c[nH]c2cc(O)cc(O)c12,0.0
O=C(Cc1ccccc1)Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)c1,0.0
Nc1ncnc2c1c(-c1cccc(O)c1)cn2C1CCC1,0.0
O=C(Cc1c[nH]c2cc3ncnc(Nc4cccc(Br)c4)c3cc12)N1CCOCC1,0.0
O=c1c(-c2cccc(Cl)c2)coc2cc(O)cc(O)c12,0.0
NC(=O)C[N@H+]1CC[C@H](n2cc(-c3cccc(O)c3)c3c(N)ncnc32)CC1,0.0
C[NH+]1CCN(Cc2ccc(Nc3nc4ncnc(Nc5ccc(OCc6cccc(F)c6)c(Cl)c5)c4s3)cc2)CC1,0.0
O=C(O[C@H]1CN[C@H](C#Cc2cc3ncnc(Nc4ccc(Cc5ccccc5)cc4)c3s2)C1)N1CCOCC1,0.0
Nc1ncnc(Nc2ccc3c(cnn3Cc3cccc(F)c3)c2)c1/C=N/N1CCOCC1,0.0
COc1ccc(/N=C/c2c(N)ncnc2Nc2ccc3c(cnn3Cc3cccc(F)c3)c2)cc1,0.0
O=C1CNCC[N@@H+](Cc2ccn3ncnc(Nc4ccc5c(cnn5Cc5cccc(F)c5)c4)c23)C1,0.0
O=C1CN(Cc2ccn3ncnc(Nc4ccc5c(cnn5Cc5cccc(F)c5)c4)c23)CCN1,0.0
Cc1c(C(=O)NCCN2CC[NH+](C)CC2)[nH]c2cnnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c12,0.0
Brc1cccc(Nc2ncnc3cnc(NCCc4ccccn4)cc23)c1,0.0
COc1cc2c(cc1OC)Oc1ncnc(Nc3cccc(Br)c3)c1NC2,0.0
Brc1cccc(Nc2ncnc3cc4ccccc4cc23)c1,0.0
COc1cc2cc3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3cc2cc1OC,0.0
Cc1ccc(S(=O)(=O)N2Cc3ccc([C@]4(O)CC[C@H]5[C@@H]6CCc7cc(O)ccc7[C@H]6CC[C@@]54C)cc3C2)cc1,0.0
Oc1ccc2c(c1)O[C@H](c1ccccc1)C1=C2COc2cc(O)ccc21,0.0
Oc1ccc([C@H]2Oc3ccc(O)cc3[C@H]3CCCC[C@H]32)cc1,0.0
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)C#Cc1cccc2c(=O)cc(-c3ccccc3)oc12,0.0
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)c1ccc2c(c1)COC2,0.0
O=C1CC[C@@H]2c3cc(O)ccc3O[C@H](c3ccc(O)cc3)[C@@H]2C1,0.0
Oc1ccc2c(ccc3cc4ccc(O)cc4c(-c4ccc(OCC[NH+]5CCCCC5)cc4)c32)c1,0.0
CC1=C2c3ccc4[nH]ncc4c3C[C@]2(Cc2ccc(F)cc2)CCC1=O,0.0
O=C(c1ccc(-c2ccccc2)cc1)c1oc2cc(O)ccc2c1-c1cccc2ccccc12,0.0
Oc1ccc2cc(-c3noc4cc(O)ccc34)ccc2c1,0.0
CC1=C2c3ccc(O)cc3C[C@]2(Cc2ccccc2)CCC1=O,0.0
Oc1ccc2c(c1)O[C@H](c1ccc(OCC[NH+]3CCCCCC3)cc1)C1=C2COc2cc(O)ccc21,0.0
O=C(N1Cc2cc(O)ccc2[C@H](c2ccc(O)cc2)C1)C(F)(F)F,0.0
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)C#Cc1c(-c2ccccc2)oc2ccccc2c1=O,0.0
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)C#Cc1ccc(N)cc1,0.0
O=c1c2c(O)cc(O)cc2oc2oc3cc(O)ccc3c12,0.0
Oc1ccc2c(c1)O[C@H](c1ccc(OCC[NH+]3CCCC3)cc1)C1=C2COc2cc(O)ccc21,0.0
Oc1ccc(C2=c3ccc4n3[C@@H]3C(=CC=4)CCC[C@@H]23)cc1,0.0
Oc1ccc([C@H]2C[N@H+](Cc3ccccc3)Cc3cc(O)ccc32)cc1,0.0
O=S(=O)(c1ccc2ccccc2c1)N1CCc2cc(O)ccc2[C@@H]1c1ccc(OCC[NH+]2CCCC2)cc1,0.0
Oc1ccc([C@H]2Oc3ccc(O)cc3[C@H]3CCCCC[C@H]32)cc1,0.0
O=C1C(c2ccc(O)cc2)=C(c2ccccc2)c2cc(O)cc(O)c21,0.0
O=S(=O)(c1cccc2ccccc12)N1Cc2cc(O)ccc2[C@@H](c2ccc(O)cc2)C1,0.0
O=C1C[C@@H](c2ccc(O)cc2)Oc2c(Cc3ccccc3)c(O)cc(O)c21,0.0
COc1ccccc1-c1[nH]c2ccccc2c1C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C,0.0
Cc1cc(-c2cc(-c3ccccc3)cc(N3CCC(Cc4ccccc4)CC3)[nH+]2)ccc1O,0.0
O=c1c2oc3cc(O)ccc3c2oc2cc(O)cc(O)c12,0.0
Oc1ccc(-c2c(-c3ccccc3)[nH]c3ccccc23)cc1,0.0
O=S(=O)(c1ccccc1)N1Cc2cc(O)ccc2[C@@H](c2ccc(O)cc2)C1,0.0
O=C1CC[C@@H]2[C@H](C1)c1cc(O)ccc1O[C@@H]2c1ccc(O)cc1,0.0
Cc1ccc(S(=O)(=O)N2Cc3ccc([C@]4(O)CC[C@H]5[C@@H]6CCc7cc(O)ccc7[C@H]6CC[C@@]54C)cc3C2)cc1,0.0
Oc1ccc2c(ccc3c4ccccc4ccc23)c1O,0.0
Oc1ccc2c(c1)O[C@H](c1ccccc1)C1=C2COc2cc(O)ccc21,0.0
Oc1ccc([C@H]2Oc3ccc(O)cc3[C@H]3CCCC[C@H]32)cc1,0.0
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)c1ccc2c(c1)COC2,0.0
O=C1CC[C@@H]2c3cc(O)ccc3O[C@H](c3ccc(O)cc3)[C@@H]2C1,0.0
Oc1ccc2c(ccc3cc4ccc(O)cc4c(-c4ccc(OCC[NH+]5CCCCC5)cc4)c32)c1,0.0
Oc1ccc2c(c1)O[C@H](c1ccc(OCCN3CCOCC3)cc1)C1=C2COc2cc(O)ccc21,0.0
Oc1ccc2c(-c3cccc4c(O)cccc34)noc2c1,0.0
O/N=C/c1ccc(-c2ccc(O)c(F)c2)c2ccccc12,0.0
CC1=C2c3ccc4[nH]ncc4c3C[C@]2(Cc2ccccc2F)CCC1=O,0.0
Oc1ccc2nc(-c3ccc(O)c(F)c3)cc(-c3ccccc3)c2c1,0.0
Oc1ccc2cc(-c3noc4cc(O)ccc34)ccc2c1,0.0
Oc1ccc(C2=c3ccc4n3[C@@H]3C(=CC=4)CCCC[C@@H]23)cc1,0.0
Oc1ccc(-c2ccc3c(-c4ccccc4)c(O)ccc3c2)cc1,0.0
Oc1ccc2c(c1)O[C@H](c1ccc(OCC[NH+]3CCCCCC3)cc1)C1=C2COc2cc(O)ccc21,0.0
O=C(N1Cc2cc(O)ccc2[C@H](c2ccc(O)cc2)C1)C(F)(F)F,0.0
C[C@]12CCc3c(ccc4cc(O)ccc34)[C@@H]1CC[C@H]2O,0.0
O=c1c2c(O)cc(O)cc2oc2oc3cc(O)ccc3c12,0.0
Oc1ccc2c(Oc3ccc(OCC[NH+]4CCCCC4)cc3)c(-c3cccc(F)c3)ccc2c1,0.0
Oc1ccc2c(c1)sc1cc3ccc(O)cc3c(-c3ccc([C@@H](O)CC[NH+]4CCCCC4)cc3)c12,0.0
CC[C@H]1Oc2c(ccc(O)c2C)-c2c(C)cc(O)c(C)c21,0.0
Oc1ccc2c(c1)O[C@H](c1ccc(OCC[NH+]3CCCC3)cc1)C1=C2COc2cc(O)ccc21,0.0
O=C(c1ccccc1)N1Cc2cc(O)ccc2[C@@H](c2ccc(O)cc2)C1,0.0
Oc1ccc(C2=c3ccc4n3[C@@H]3C(=CC=4)CCC[C@@H]23)cc1,0.0
Oc1ccc([C@H]2C[N@H+](Cc3ccccc3)Cc3cc(O)ccc32)cc1,0.0
Oc1ccc([C@H]2Oc3ccc(O)cc3[C@H]3CCCCC[C@H]32)cc1,0.0
O=C1C(c2ccc(O)cc2)=C(c2ccccc2)c2cc(O)cc(O)c21,0.0
O=S(=O)(c1cccc2ccccc12)N1Cc2cc(O)ccc2[C@@H](c2ccc(O)cc2)C1,0.0
C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C,0.0
Oc1cccc(N2CCc3cc(O)ccc3[C@@H]2c2ccc(N3CC[NH+](C4CCCCC4)CC3)cc2)c1,0.0
O=C1C[C@@H](c2ccc(O)cc2)Oc2c(Cc3ccccc3)c(O)cc(O)c21,0.0
Cc1cc(-c2cc(-c3ccccc3)cc(N3CCC(Cc4ccccc4)CC3)[nH+]2)ccc1O,0.0
Oc1ccc([C@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(C3=CC[NH2+]CC3)cc2)cc1,0.0
O=c1c2oc3cc(O)ccc3c2oc2cc(O)cc(O)c12,0.0
Oc1ccc(C2=Cc3cc(O)ccc3C23Cc2ccccc2C3)cc1,0.0
Oc1ccc(-c2c(-c3ccccc3)[nH]c3ccccc23)cc1,0.0
CCC1=C(c2ccc(O)cc2)[C@H](CC)c2cc(O)ccc21,0.0
O=c1oc2cc(O)ccc2c2oc3cc(O)ccc3c12,0.0
OC[C@@]12CC=C[C@@H](C1)[C@H](c1ccc(O)cc1)CC2,0.0
O=c1c2sc3ccccc3c2oc2cc(O)cc(O)c12,0.0
O=S(=O)(c1ccccc1)N1Cc2cc(O)ccc2[C@@H](c2ccc(O)cc2)C1,0.0
Oc1ccc2c(-c3nc4ccc(O)cc4o3)cccc2c1,0.0
Oc1ccc(-c2ccc3cc(O)ccc3c2Cc2ccc(OCC[NH+]3CCCCC3)cc2)cc1,0.0
N/C(=N/O)N1CCC(CNC(=O)[C@@H]2CC[C@H]3CN(S(=O)(=O)CC(c4ccccc4)c4ccccc4)CC(=O)N32)CC1,0.0
O=C([C@H](O)CS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCC(N2Cc3ccccc3C2=O)CC1,0.0
COc1ccc2c(c1)CC[C@H](NS(=O)(=O)c1ccc3ccccc3c1)C(=O)N2CC(=O)N[C@H]1CCCN(C(N)=[NH2+])[C@@H]1O,0.0
NC(=[NH2+])c1ccc(CNC(=O)[C@@H]2CC[C@H]3CN(S(=O)(=O)CC(c4ccccc4)c4ccccc4)CC(=O)N32)cc1,0.0
O=C([C@H](O)CS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCC(N2Cc3cccn3C2=O)CC1,0.0
NC(=[NH2+])c1ccc2ccn([C@H](Cc3ccccc3)C(=O)Nc3ccc(-n4cnc5ccccc54)cc3F)c2c1,0.0
NC(=O)c1cc(C(=O)N2CCc3cc(N4CCCCC4=O)ccc32)n(-c2ccc3onc(N)c3c2)n1,0.0
N#Cc1ncccc1-c1ccc(N2CC[C@@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1,0.0
O=C1[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCN1c1ccc(-c2ccncc2)cc1F,0.0
NC(=[NH2+])c1cccc(Oc2ccc3c4ccccc4n(Cc4ccc5ccc(C(N)=[NH2+])cc5c4)c3c2)c1,0.0
NC(=[NH2+])c1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-n3ccc4ccccc43)cc2F)c1,0.0
CCc1nc2cc(OC3CCN(C(C)=[NH2+])CC3)ccc2n1Cc1cccc(-c2cccc(C(N)=[NH2+])c2)c1,0.0
O=C1[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCCN1c1ccc(-n2ccccc2=O)cc1F,0.0
C[NH+](C)Cc1ccccc1-c1ccc(-c2ccc3c(C(N)=O)nn(-c4ccc5onc(N)c5c4)c3c2F)c(F)c1,0.0
NC(=[NH2+])c1cccc(-n2nc(-c3cccnc3)cc2C(=O)Nc2ccc(-n3cnc4ccccc43)cc2)c1,0.0
O=C([C@H](O)CS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCC(N2CCCCC2=O)CC1,0.0
CS(=O)(=O)c1ccccc1-c1ccc(N2CCC[C@@H](NS(=O)(=O)c3cccc4cc(Cl)ccc34)C2=O)c(F)c1,0.0
Cc1nn(-c2ccc3onc(N)c3c2)c2c(=O)n(-c3ccc(-c4ccccc4C[N@@H+]4CC[C@@H](O)C4)cc3)c(C)nc12,0.0
Cc1nc2c(C(F)(F)F)nn(-c3ccc4onc(N)c4c3)c2c(=O)n1-c1ccc(-c2ccccc2C[NH+](C)C)cc1,0.0
NC(=[NH2+])c1cccc(-n2nc(Cn3cnnn3)cc2C(=O)Nc2ccc(-n3cnc4ccccc43)cc2)c1,0.0
CC(=[NH2+])N1CCC(Oc2ccc3c4ccccc4n(Cc4ccc5ccc(C(N)=[NH2+])cc5c4)c3c2)CC1,0.0
CC(C)(C(=O)Nc1ccc(-n2cnc3ccccc32)cc1)c1c[nH]c2ccc(C(N)=[NH2+])cc12,0.0
NC(=[NH2+])c1ccc2[nH]cc([C@@H](Cc3cccnc3)C(=O)Nc3ccc(-n4cnc5ccccc54)cc3)c2c1,0.0
Cc1ncc2n1C(=O)N(N1CCN(C(=O)CCS(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC1)C2,0.0
NC(=[NH2+])c1cccc(-n2nc(Cn3ccnn3)cc2C(=O)Nc2ccc(-n3cnc4ccccc43)cc2)c1,0.0
CS(=O)(=O)c1ccccc1-c1ccc(N2CC[C@@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1,0.0
Cc1cn(C)c(-c2cccc(Oc3cc(C(=O)[O-])cc(Oc4cc(C(N)=[NH2+])ccc4O)n3)c2)[nH+]1,0.0
C[C@@H](C(=O)N1C[C@H]2CC[C@@H]1CC2)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O,0.0
O=C([C@H](O)CS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCC(N2CCCNC2=O)CC1,0.0
O=C1[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCN1c1ccc(-n2cccn2)cc1F,0.0
COc1ccc(-n2nc(C(F)(F)F)cc2C(=O)Cc2ccc(-c3ccccc3S(N)(=O)=O)cc2F)cc1,0.0
COc1ccc2c(c1)CC[C@H](NS(=O)(=O)Cc1ccccc1)C(=O)N2CC(=O)N[C@H]1CCCN(C(N)=[NH2+])[C@@H]1O,0.0
NC(=O)NCc1cccc(-c2cccc(-c3cc4c[nH+]ccc4[nH]3)c2O)c1,0.0
O=C(NCCc1ccccc1)NCc1cccc(-c2cccc(-c3cc4c[nH+]ccc4[nH]3)c2O)c1,0.0
CC(C)CCN(Cc1ccc2ccc(C(N)=[NH2+])cc2c1)C(=O)c1ccc2ccccc2c1,0.0
Nc1[nH+]ccc2[nH]c(-c3cc(C(=O)[O-])cc(-c4cccc(CNC(=O)[C@@H](O)Cc5ccccc5)c4)c3O)cc12,0.0
O=C(NCc1cccc(-c2cccc(-c3cc4c[nH+]ccc4[nH]3)c2O)c1)Nc1cccnc1,0.0
O=C(NCc1cccc(-c2cccc(-c3cc4c[nH+]ccc4[nH]3)c2O)c1)N(O)Cc1ccccc1,0.0
NC(=[NH2+])c1ccc(CNC(=O)Cc2c(-c3cccc(N)c3)ccc(NCc3ccccc3)c2F)cc1,0.0
O=C(NCCc1cccs1)NCc1cccc(-c2cccc(-c3cc4c[nH+]ccc4[nH]3)c2O)c1,0.0
NC(=[NH2+])c1ccc2[nH]c(-c3cccc(-c4cc(CNC(=O)N5CCOCC5)ccc4O)c3O)cc2c1,0.0
O=C(NCc1cccc(-c2cccc(-c3cc4c[nH+]ccc4[nH]3)c2O)c1)Nc1cccs1,0.0
O=C(NCc1cccc(-c2cccc(-c3cc4c[nH+]ccc4[nH]3)c2O)c1)[C@H](O)c1ccccc1,0.0
Cc1cccc(C(=O)Nc2ccc([C@H](C)NC(=O)CNC(=O)Nc3ccc(C(N)=[NH2+])cc3)cc2)c1,0.0
Nc1ccc2[nH]c(-c3cc(CC(=O)[O-])cc(-c4cccc(CNC(=O)Nc5ccccc5)c4)c3O)cc2[nH+]1,0.0
Nc1ccc2[nH]c(-c3cc(CC(=O)[O-])cc(-c4cccc(CNC(=O)Nc5cccnc5)c4)c3O)cc2[nH+]1,0.0
NC(=[NH2+])c1ccc(NC(=O)NCC(=O)NC(c2ccccc2)c2ccccc2)cc1,0.0
CC(C)(C(=O)[O-])c1cc(-c2cccc(CNC(=O)Nc3c(F)cccc3F)c2)c(O)c(-c2cc3c(N)[nH+]ccc3[nH]2)c1,0.0
O=C(NCc1cccc(-c2cccc(-c3cc4c[nH+]ccc4[nH]3)c2O)c1)[C@H](CO)c1cccnc1,0.0
NC(=[NH2+])c1ccc2[nH]c(-c3cc(-c4nnn[n-]4)cc(-c4cccc([N+](=O)[O-])c4)c3O)cc2c1,0.0
CC(C)(C(=O)[O-])c1cc(-c2cccc(CNC(=O)Nc3ccc(C(=O)[O-])cc3)c2)c(O)c(-c2cc3c(N)[nH+]ccc3[nH]2)c1,0.0
C[C@H](CCc1ccccc1)Nc1c(F)c(Oc2cccc(C(N)=[NH2+])c2)nc(Oc2ccc(N(C)C)cc2C(=O)[O-])c1F,0.0
CCCCCNC(=O)NCc1cccc(-c2cccc(-c3cc4c[nH+]ccc4[nH]3)c2O)c1,0.0
O=C(NCc1cccc(-c2cccc(-c3cc4c[nH+]ccc4[nH]3)c2O)c1)[C@@H](CO)c1ccccc1,0.0
C[C@@H](NC(=O)CNC(=O)Nc1ccc(C(N)=[NH2+])cc1)c1cccc(OCc2ccccc2)c1,0.0
Cc1cccc(-c2ccc(Oc3nc(Oc4cccc(C(N)=[NH2+])c4)c(F)c(N(C(C)C)C(C)C)c3F)c(C(=O)[O-])c2)c1,0.0
C[C@@H](NC(=O)CNC(=O)Nc1ccc(C(N)=[NH2+])cc1)c1ccc(NC(=O)c2ccccc2)cc1,0.0
CC(C)N(c1c(F)c(Oc2cccc(C(N)=[NH2+])c2)nc(Oc2ccc(Cc3ccccc3)cc2C(=O)[O-])c1F)C(C)C,0.0
NC(=[NH2+])c1ccc2ccc(CN(CCc3ccccn3)C(=O)c3cccc4ccccc34)cc2c1,0.0
CC(C)N(c1c(F)c(Oc2cccc(C(N)=[NH2+])c2)nc(Oc2ccc(-c3ccccc3)cc2C(=O)[O-])c1F)C(C)C,0.0
C[C@@H](NC(=O)CNC(=O)Nc1ccc(C(N)=[NH2+])cc1)c1ccc(Cc2ccccc2)cc1,0.0
C[C@@H](NC(=O)CNC(=O)Nc1ccc(C(N)=[NH2+])cc1)c1ccc(NC(=O)c2cccc(Oc3ccccc3)c2)cc1,0.0
NC(=[NH2+])c1ccc2[nH]c(-c3cc(CC(=O)[O-])cc(-c4cccc(-c5nnn[n-]5)c4)c3O)cc2c1,0.0
C[C@@H](NC(=O)CNC(=O)Nc1ccc(C(N)=[NH2+])cc1)c1ccc(C(=O)Nc2cccc(Oc3ccccc3)c2)cc1,0.0
C[C@@H](NC(=O)CNC(=O)Nc1ccc(C(N)=[NH2+])cc1)c1ccc(C(=O)Nc2ccccc2)cc1,0.0
C[N@@H+]1CCC[C@@H]1CCN(Cc1ccc2ccc(C(N)=[NH2+])cc2c1)C(=O)c1cccc2ccccc12,0.0
NC(=[NH2+])c1ccc(CNC(=O)Cn2c(-c3cccc(N)c3)c(Cl)nc(NCCc3ccccc3)c2=O)cc1,0.0
NC(=[NH2+])c1ccc2[nH]c(-c3cc(CC(=O)[O-])cc(-c4cccc([N+](=O)[O-])c4)c3O)cc2c1,0.0
C[C@@H](NC(=O)CNC(=O)Nc1ccc(C(N)=[NH2+])cc1)c1ccc(Oc2ccccc2)cc1,0.0
COc1cccc(COc2ccc([C@@H](C)NC(=O)CNC(=O)Nc3ccc(C(N)=[NH2+])cc3)cc2)c1,0.0
C[C@@H]1CCCC[N@@H+]1CCCN(Cc1ccc2ccc(C(N)=[NH2+])cc2c1)C(=O)c1cccc2ccccc12,0.0
COc1ccc([C@@H](Nc2ccc(C(N)=[NH2+])cc2)C(=O)NCc2ccccc2)cc1OC,0.0
O=C([O-])c1ccc2c3c(n(Cc4ccccc4)c2c1)CCCC3,0.0
O=C([O-])CCCCn1c2ccccc2c2ccccc21,0.0
CCCn1c2c(c3cccc(C(=O)[O-])c31)CCCC2,0.0
CO[C@@H](C(=O)[O-])c1cccc(OCc2ccccc2Cl)c1OCc1ccccc1Cl,0.0
O=C([O-])c1cccc(OCc2ccc(Cl)cc2Cl)c1OCc1ccc(Cl)cc1Cl,0.0
O=C([O-])c1cccc2c3c(n(Cc4ccccc4F)c12)CCCC3,0.0
O=C([O-])c1cccc2c3c(n(Cc4cccc(F)c4)c12)CCCC3,0.0
O=C([O-])c1cccc2c3c(n(Cc4ccc(F)cc4)c12)CCCC3,0.0
O=C([O-])c1cccc2c3c(n(Cc4ccccc4C(F)(F)F)c12)CCCC3,0.0
O=C([O-])Cc1cccc(OCc2ccccc2Cl)c1OCc1ccccc1Cl,0.0
CCCn1c2c(c3cccc(C(=O)[O-])c31)CCCCC2,0.0
O=C([O-])C(=O)c1cccc(OCc2ccccc2Cl)c1OCc1ccccc1Cl,0.0
O=C([O-])c1cccc2c3c(n(Cc4ccccc4)c12)CCCC3,0.0
COc1cccc(Cn2c3c(c4cccc(C(=O)[O-])c42)CCCC3)c1,0.0
O=C([O-])c1cccc2c3c(n(Cc4ccc(F)cc4)c12)CCCCC3,0.0
O=C([O-])c1cccc2c3c(n(Cc4cccc(F)c4)c12)CCCCC3,0.0
NC(=O)c1cccc(Cn2c3c(c4cccc(C(=O)[O-])c42)CCCCC3)c1,0.0
O=C([O-])c1cccc2c3c(n(Cc4ccccc4)c12)CCCCC3,0.0
NC(=O)c1ccccc1Cn1c2c(c3cccc(C(=O)[O-])c31)CCCCC2,0.0
O=C([O-])c1cccc2c3c(n(Cc4ccccc4F)c12)CCCCC3,0.0
Cn1c(-c2ccccc2-c2cccc(NCC(=O)[O-])c2)nc(-c2ccccc2)c1-c1ccccc1,0.0
Cn1c(-c2ccccc2-c2cccc(OCC(=O)[O-])c2)nc(-c2ccccc2)c1-c1ccccc1,0.0
CCc1c(-c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1-c1cccc(C(=O)[O-])c1,0.0
O=C([O-])COc1cccc(-c2ccccc2-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1,0.0
O=C([O-])COc1cccc(-c2ccccc2-c2cc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1,0.0
COc1ccccc1Cn1c2c(c3cccc(C(=O)[O-])c31)CCCC2,0.0
O=C([O-])COc1cccc(-c2ccccc2-c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1,0.0
O=C([O-])c1cccc2c3c(n(Cc4ccccc4C(F)(F)F)c12)CCCCC3,0.0
O=C([O-])CCCCOc1ccccc1-c1nc(-c2ccccc2)c(-c2ccccc2)o1,0.0
CC(C)Cn1c(-c2ccccc2-c2cccc(NCC(=O)[O-])c2)nc(-c2ccccc2)c1-c1ccccc1,0.0
CCc1c(-c2ccccc2-c2cccc(OCC(=O)[O-])c2)oc(-c2ccccc2)c1-c1ccccc1,0.0
CCc1c(-c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1-c1cccc(OCC(=O)[O-])c1,0.0
CCn1c(-c2ccccc2-c2cccc(OCC(=O)[O-])c2)nc(-c2ccccc2)c1-c1ccccc1,0.0
CCn1c(-c2ccccc2-c2cccc(NCC(=O)[O-])c2)nc(-c2ccccc2)c1-c1ccccc1,0.0
O=C([O-])COc1cccc(-c2ccccc2-c2nc(-c3ccccc3)c(-c3ccccc3)n2CCF)c1,0.0
CCCCCCCC/C=C\CCCCCCCC(=O)[O-],0.0
Nc1ncc(NC(=O)c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2Cl)cc1Cl,0.0
CS(=O)(=O)c1ccccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F,0.0
Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)nc12,0.0
O=C1Cc2cc(Nc3ncc(C(F)(F)F)c(NCc4ccccc4)n3)ccc2N1,0.0
O=C1CCc2cc(Nc3ncc(C(F)(F)F)c(NCc4ccccn4)n3)ccc2N1,0.0
CCNC(=O)CCc1cccc(-n2ccc3cnc(Nc4cc(OC)c(OC)c(OC)c4)nc32)c1,0.0
CNC(=O)CCc1cccc(-n2ccc3cnc(Nc4cc(OC)c(OC)c(OC)c4)nc32)c1,0.0
Cc1cccc(Nc2ncc3ccn(-c4ccccn4)c3n2)c1,0.0
Cc1ccc(C(N)=O)cc1Nc1ncc2ccn(-c3ccccn3)c2n1,0.0
CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4c(c3)CCC(=O)N4)ncc2C(F)(F)F)c1,0.0
COc1cc(Nc2ncc3ccn(-c4cccc(C(F)(F)F)c4)c3n2)cc(OC)c1OC,0.0
COc1cc(Nc2ncc3ccn(-c4cccc(CCC(=O)[O-])c4)c3n2)cc(OC)c1OC,0.0
COc1ccc(C)c(Nc2ncc3ccn(-c4ccccn4)c3n2)c1,0.0
c1ccc(-n2ccc3cnc(Nc4cccc5c4CCCC5)nc32)nc1,0.0
COc1cccc(Nc2ncc3ccn(-c4ccccn4)c3n2)c1,0.0
COc1cc(Nc2ncc3ccn(-c4cccc(C(=O)NCCCO)c4)c3n2)cc(OC)c1OC,0.0
CCc1ccccc1Nc1ncc2ccn(-c3ccccn3)c2n1,0.0
CN(c1ccccc1CNc1nc(Nc2ccc3c(c2)CNC3=O)ncc1C(F)(F)F)S(C)(=O)=O,0.0
O=C1Cc2cc(Nc3ncc(C(F)(F)F)c(NCc4ccccn4)n3)ccc2N1,0.0
COc1cc(Nc2ncc3ccn(-c4cccc(CC(=O)NC5CC5)c4)c3n2)cc(OC)c1OC,0.0
Clc1ccccc1Nc1ncc2ccn(-c3ccccn3)c2n1,0.0
COc1cc(Nc2ncc3ccn(-c4cccc(C(=O)NC5CC5)c4)c3n2)cc(OC)c1OC,0.0
O=C1Cc2cc(Nc3ncc(C(F)(F)F)c(NCc4ccccc4S(=O)(=O)N4CCCC4)n3)ccc2N1,0.0
CNC(=O)c1cccc(-n2ccc3cnc(Nc4cc(OC)c(OC)c(OC)c4)nc32)c1,0.0
COc1cc(Nc2ncc3ccn(-c4cccc(C(=O)NCC[NH3+])c4)c3n2)cc(OC)c1OC,0.0
CCNC(=O)c1cccc(-n2ccc3cnc(Nc4cc(OC)c(OC)c(OC)c4)nc32)c1,0.0
CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4c(c3)CC(=O)N4)ncc2C(F)(F)F)c1,0.0
FC(F)(F)c1cnc(Nc2ccc3[nH]ncc3c2)nc1NCc1ccccn1,0.0
COc1cc(Nc2ncc3ccn(-c4cccc(C(=O)NCCNC(C)=O)c4)c3n2)cc(OC)c1OC,0.0
Cc1ccccc1Nc1ncc2ccn(-c3ccccn3)c2n1,0.0
COc1cc(Nc2ncc3ccn(-c4ccc(C)cc4)c3n2)cc(OC)c1OC,0.0
COc1cc(Nc2ncc3ccn(-c4cccc(C)c4)c3n2)cc(OC)c1OC,0.0
COc1cc(Nc2ncc3ccn(-c4cccc(CC(=O)[O-])c4)c3n2)cc(OC)c1OC,0.0
COc1cc(Nc2ncc3ccn(-c4cccc(-c5nnn[n-]5)c4)c3n2)cc(OC)c1OC,0.0
COc1cc(Nc2ncc3ccn(-c4cccc(CCC#N)c4)c3n2)cc(OC)c1OC,0.0
COc1cc(Nc2ncc3ccn(-c4cccc(C(=O)NCC[NH+](C)C)c4)c3n2)cc(OC)c1OC,0.0
COc1cc(Nc2ncc3ccn(-c4cccc(C(=O)NCCC[NH3+])n4)c3n2)cc(OC)c1OC,0.0
COc1cc(Nc2ncc3ccn(-c4cccc(CCC(=O)[O-])n4)c3n2)cc(OC)c1OC,0.0
COc1cc(Nc2ncc3ccn(-c4cccc(C#N)c4)c3n2)cc(OC)c1OC,0.0
COc1ccccc1Nc1ncc2ccn(-c3ccccn3)c2n1,0.0
O=C1Cc2cc(Nc3ncc(Cl)c(NCc4ccccn4)n3)ccc2N1,0.0
c1ccc(COc2ccc3c(-c4nc5cc(N6CCC([NH+]7CCCCC7)CC6)ccc5[nH]4)n[nH]c3c2)cc1,0.0
FC(F)(F)c1ccc2c(-c3nc4cc(N5CCC([NH+]6CCCCC6)CC5)ccc4[nH]3)n[nH]c2c1,0.0
C[NH+]1CCN(Cc2ccc3[nH]c(-c4c(N)c5ccccc5[nH]c4=O)nc3c2)CC1,0.0
O=c1[nH]c2ccccc2c(NCC2CC[NH2+]CC2)c1-c1nc2ccccc2[nH]1,0.0
c1ccc(Oc2ccc3n[nH]c(-c4nc5cc(N6CCC([NH+]7CCCCC7)CC6)ccc5[nH]4)c3c2)cc1,0.0
C[NH+]1CCN(c2cccc3[nH]c(=O)c(-c4nc5ccccc5[nH]4)c(N)c23)CC1,0.0
CC(C)(C)NC(=O)Nc1ccc2[nH]nc(-c3nc4cc(N5CCC([NH+]6CCCCC6)CC5)ccc4[nH]3)c2c1,0.0
Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1N1Cc2cnc(N)nc2N(C)C1=O,0.0
COC(=O)c1ccc2c(c1)NC(=O)/C2=C(\Nc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1,0.0
C[NH+]1CCN(c2ccc3nc(-c4c(N)c5cc(NC(=O)c6ccccc6)ccc5[nH]c4=O)[nH]c3c2)CC1,0.0
c1ccc(COc2ccc3[nH]nc(-c4nc5cc(N6CCC([NH+]7CCCCC7)CC6)ccc5[nH]4)c3c2)cc1,0.0
C[NH+]1CCN(c2ccc3[nH]c(-c4c(N)c5ccccc5[nH]c4=O)nc3n2)CC1,0.0
CC(C)OCc1ccc2c(c1)c1c3c(c4c(c1n2CCCO)Cc1ccccc1-4)C(=O)NC3,0.0
C[NH+]1CCN(c2ccc(Nc3ncc4ccc(=O)n(C5CCCCC5)c4n3)cc2)CC1,0.0
Nc1c(-c2nc3ccccc3[nH]2)c(=O)[nH]c2cnccc12,0.0
c1ccc2c(-c3nc4c(N5CCOCC5)cccc4[nH]3)n[nH]c2c1,0.0
C[NH+]1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1,0.0
COC(=O)c1ccc2c(c1)NC(=O)/C2=C(\Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1)c1ccccc1,0.0
Nc1c(-c2nc3cc(N4CCOCC4)ccc3[nH]2)c(=O)[nH]c2ccccc12,0.0
c1ccc(COc2cccc3[nH]nc(-c4nc5cc(N6CCC([NH+]7CCCCC7)CC6)ccc5[nH]4)c23)cc1,0.0
C[NH+]1CCN(c2ccc3nc(-c4c(N)c5cc(C(=O)NCc6ccccc6)ccc5[nH]c4=O)[nH]c3c2)CC1,0.0
C[N@@H+]1CCCN(c2ccc3nc(-c4c(N)c5ccccc5[nH]c4=O)[nH]c3c2)CC1,0.0
C[NH+]1CCN(C(=O)c2ccc3[nH]c(-c4c(N)c5ccccc5[nH]c4=O)nc3c2)CC1,0.0
Nc1c(-c2nc3ccccc3[nH]2)c(=O)[nH]c2sccc12,0.0
Oc1ccc(C[C@@]2(O)COc3c(ccc(O)c3O)[C@H]2O)cc1O,0.0
C[NH+]1CCN(c2ccc3nc(-c4c(N)c5cc(NCc6ccccc6)ccc5[nH]c4=O)[nH]c3c2)CC1,0.0
CONC(=O)c1cc(Nc2ncnn3cc(-c4noc(C)n4)c(C(C)C)c23)c(F)cc1F,0.0
Cc1ccc(Nc2nc(N(C)c3ccc4c(C)n(C)nc4c3)cc[nH+]2)cc1S(N)(=O)=O,0.0
Cc1[nH]c(/C=C2\C(=O)Nc3ccc(C(=O)NNc4ccccc4)cc32)c(C)c1CCC(=O)[O-],0.0
CONC(=O)c1cc(Nc2ncnn3cc(-c4nc(C)no4)c(C(C)C)c23)c(F)cc1F,0.0
C[NH+]1CCN(c2ccc3nc(-c4n[nH]c5ccccc45)[nH]c3c2)CC1,0.0
c1ccc2c(-c3nc4ccc(N5CCOCC5)cc4[nH]3)n[nH]c2c1,0.0
C[NH+]1CCN(Cc2ccc3[nH]c(-c4n[nH]c5ccccc45)nc3c2)CC1,0.0
Cc1nnc(-c2cn3ncnc(Nc4cnc5[nH]ccc5c4)c3c2C(C)C)o1,0.0
Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccccc3)nc21,0.0
C[NH+](C)[C@H]1CCN(c2ccc3nc(-c4c(N)c5ccccc5[nH]c4=O)[nH]c3c2)C1,0.0
COC(=O)c1ccc2c(c1)NC(=O)/C2=C(\Nc1ccc(N(CCC[NH+](C)C)C(C)=O)cc1)c1ccccc1,0.0
Nc1c(-c2nc3ncccc3[nH]2)c(=O)[nH]c2ccccc12,0.0
CN(C(=O)C[NH+](C)C)c1ccc2[nH]c(-c3c(N)c4ccccc4[nH]c3=O)nc2c1,0.0
C[NH+]1CCN(c2ccc3nc(-c4c(N)c5c(Cl)cccc5[nH]c4=O)[nH]c3c2)CC1,0.0
COc1cc2c(c(OC)c1)[C@@H]1[C@@H]3CCC[C@H](C(=O)N1CC2)N3S(=O)(=O)c1ccc(-c2ccccc2)cc1,0.0
COc1cc2c(c(OC)c1)[C@@H]1[C@@H]3CCC[C@H](C(=O)N1CC2)N3S(=O)(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)cc1,0.0
CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)NCCC(c1ccccc1)c1ccccc1,0.0
COc1ccc(CCCOC(=O)[C@@H]2CCCCN2C(=O)N[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)cc1OC,0.0
CCC(C)(C)C(=O)C(=O)N1CCCC[C@@H]1C(=O)OCCC(c1ccccc1)c1ccccc1,0.0
COc1ccc2c(c1)CCN1C(=O)[C@H]3CCC[C@@H]([C@H]21)N3S(=O)(=O)Nc1ccc(F)c(F)c1,0.0
CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)SCCC(c1ccccc1)c1ccccc1,0.0
CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)CCCC(c1ccc(F)cc1)c1ccc(F)cc1,0.0
CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)SCCCc1ccc2ccccc2c1,0.0
COc1ccc(CCCCOC(=O)[C@@H]2CCCCN2C(=O)C(=O)C2CCCCC2)cc1,0.0
CCc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NCCCc2ccccc2)cc1,0.0
CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)O[C@H](CCc1ccccc1)c1ccccc1,0.0
COc1cc2c(c(OC)c1)[C@@H]1[C@@H]3CCC[C@H](C(=O)N1CC2)N3C(=O)C(=O)c1ccc(Cl)c(Cl)c1,0.0
COc1ccc(CCCOC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)cc1,0.0
O=C(OCCCc1ccccc1)[C@@H]1[C@@H]2CC[C@@H](C2)N1S(=O)(=O)c1ccccc1,0.0
O=C(SCCCc1ccccc1)[C@@H]1[C@@H]2CC[C@@H](C2)N1S(=O)(=O)Cc1ccccc1,0.0
O=C(C(=O)N1CCC[C@H]1C(=O)CCCCc1ccccc1)C1CCCCC1,0.0
CC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)CCCCCc1ccccc1,0.0
O=C(OCCCc1ccc(F)cc1)[C@@H]1CCCN1C(=S)N[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2,0.0
O=C(C(=O)N1CCCC[C@H]1C(=O)OC(CCCc1ccccc1)CCCc1ccccc1)c1ccccc1,0.0
COc1cc2c(c(OC)c1)[C@@H]1[C@@H]3CCC[C@H](C(=O)N1CC2)N3C(=O)[C@@H](O)c1ccc(Cl)cc1,0.0
COc1ccc2c(c1)CCN1C(=O)[C@H]3CCC[C@@H]([C@H]21)N3S(=O)(=O)[N-]c1ccc(N2CCOCC2)nc1,0.0
CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)SCCC(c1ccccc1)c1ccccc1,0.0
CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)CCCCc1ccccc1,0.0
CCC(C)(C)C(=O)C(=O)N1[C@H]2CC[C@H](C2)[C@H]1C(=O)SCCC(c1ccccc1)c1ccccc1,0.0
COc1cc(C(=O)C(=O)N2CCCC[C@@H]2C(=O)OCc2cccc(Oc3ccccc3)c2)cc(OC)c1OC,0.0
CCC(C)(C)C(=O)C(=O)N1CCCC[C@@H]1C(=O)O[C@H](CCc1ccccc1)c1ccccc1,0.0
O=C(C(=O)N1CCCC[C@H]1C(=O)OCCCc1ccccc1)C1CCCCC1,0.0
CCC(C)(C)C(=O)C(=O)N1CCCC[C@@H]1C(=O)OC(CCc1ccccc1)CCc1ccccc1,0.0
O=C(NCCCCc1ccccc1)[C@@H]1CCCCN1S(=O)(=O)Cc1ccccc1,0.0
O=C(OCCCCc1ccccc1)[C@@H]1CCCN1C(=O)N[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2,0.0
COc1ccc2c(c1)CCN1C(=O)[C@H]3CCC[C@@H]([C@H]21)N3S(=O)(=O)[N-]c1ccc(F)nc1,0.0
CC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)CCCc1ccccc1,0.0
Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)OCCCCc2ccccc2)cc1,0.0
O=C(C(=O)N1CCC[C@H]1C(=O)OCCCc1ccccc1)C1CCCCC1,0.0
CC(C)(C)C(=O)C(=O)N1CCCC[C@@H]1C(=O)OCCCc1ccccc1,0.0
COc1cc2c(c(OC)c1)[C@@H]1[C@@H]3CCC[C@H](C(=O)N1CC2)N3S(=O)(=O)c1ccc(C#N)cc1,0.0
COc1ccc(CCCOC(=O)[C@@H]2CCCCN2S(=O)(=O)Cc2ccccc2)cc1OC,0.0
COc1ccc(CCCOC(=O)[C@@H]2CCCCN2S(=O)(=O)Cc2ccccc2)cc1,0.0
COc1ccc(CCCOC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)cc1OC,0.0
COc1cc2c(c(OC)c1)[C@@H]1[C@@H]3CCC[C@H](C(=O)N1CC2)N3C(=O)C(=O)c1cccnc1,0.0
Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)OC(CCCc2ccccc2)CCCc2ccccc2)cc1,0.0
O=C(Cc1cc[n+]([O-])cc1)N1CCC(=C2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CC1,0.0
Cc1c[nH]c2c(Cl)cc3c(c12)C(=C1CCN(C(=O)Cc2cc[n+]([O-])cc2)CC1)c1ncc(Br)cc1CC3,0.0
O=C(Cc1cc[n+]([O-])cc1)N1CCC(=C2c3ccc(Cl)cc3OCc3cc(Br)cnc32)CC1,0.0
N#Cc1ccc(Cn2cncc2CN2CCN(c3cccc(Cl)c3)C(=O)C2)cc1Oc1ccc2ccccc2c1,0.0
Cc1cnc2c(c1)CCc1cc(Cl)ccc1C2=C1CCN(C(=O)Cc2ccncc2)CC1,0.0
CS(=O)(=O)N1Cc2cc(-c3ccccc3)ccc2N(Cc2c[nH]c[nH+]2)C[C@H]1Cc1cccnc1,0.0
COc1cc(Cn2cncc2CN2CCN(c3cccc(Cl)c3)C(=O)C2)ccc1-c1ccc(C(F)(F)F)cc1,0.0
O=C(Cc1cc[n+]([O-])cc1)N1CCC(=C2c3ccc(Cl)cc3SCc3cccnc32)CC1,0.0
[NH3+][C@@H](CS)C(=O)Nc1ccc(NC(=O)Cc2ccc3ccccc3c2)c(C(=O)c2ccccc2)c1,0.0
N#Cc1ccc(Cn2cnnc2CN(Cc2ccc(F)cc2F)C(=O)c2ccc3ccccc3c2)cc1,0.0
CN1CCN(C(=O)c2cn(Cc3cncn3Cc3ccc4c(c3)OCO4)cc2-c2cccc3ccccc23)CC1,0.0
Cn1c(=O)cc(-c2cccc(Cl)c2)c2cc(COCc3cncn3Cc3ccc(C#N)cc3)ccc21,0.0
O=C1CN(Cc2cncn2Cc2ccc(-c3ccc(C(F)(F)F)cc3)nc2)CCN1c1cccc(Cl)c1,0.0
O=C(CC1CC[NH2+]CC1)N1CCC(=C2c3ccc(Cl)cc3SCc3cccnc32)CC1,0.0
N#Cc1ccc(Cn2cncc2CN(Cc2ccc(F)cc2F)C(=O)c2ccc3ccccc3n2)cc1,0.0
O=C(c1cn(Cc2cncn2Cc2ccc3c(c2)OCO3)cc1-c1cccc2ccccc12)N1CCOCC1,0.0
N#CN/C(=N/Cc1ccc2c(c1)OCO2)N1CCC(=C2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CC1,0.0
O=C(CN1C(=O)c2ccccc2C1=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1,0.0
CS(=O)(=O)N1Cc2cc(-c3ccncc3)ccc2N(Cc2c[nH]c[nH+]2)C[C@H]1Cc1ccccc1,0.0
Cn1c[nH+]cc1[C@](O)(c1ccccc1)c1ccc2ccn(-c3cccc(Cl)c3)c2c1,0.0
O=C(Cc1ccncc1)N1CCC(=C2c3ccc(Cl)cc3SCc3cccnc32)CC1,0.0
O=C(Cc1ccncc1)N1CCC(=C2c3ccc(Cl)cc3S(=O)(=O)Cc3cccnc32)CC1,0.0
N#CN/C(=N/CC1CCCCC1)N1CCC(=C2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CC1,0.0
CS(=O)(=O)N1Cc2cc(-c3ccccc3)ccc2N(Cc2c[nH]c[nH+]2)C[C@@H]1Cc1ccccc1,0.0
N#CN/C(=N/Cc1ccc[n+]([O-])c1)N1CCC(=C2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CC1,0.0
O=C(N[C@H](Cc1cccc2ccccc12)C(=O)NCCc1c[nH]c[nH+]1)C1Cc2ccccc2C1,0.0
N#CN/C(=N/Cc1cc[n+]([O-])cc1)N1CCC(=C2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CC1,0.0
Cc1ccccc1-c1cc([C@@H](OCc2cccc3ccccc23)c2c[nH+]cn2C)ccc1C#N,0.0
N#CN/C(=N/CCc1ccncc1)N1CCC(=C2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CC1,0.0
N#CN/C(=N/Cc1cccnc1)N1CCC(=C2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CC1,0.0
O=C(Cc1ccccc1)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1,0.0
Cc1nnc(CN(Cc2ccc(F)cc2F)C(=O)c2ccc3ccccc3n2)n1Cc1ccc(C#N)cc1,0.0
O=C(Nc1cc[n+]([O-])cc1)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CC1,0.0
O=P([O-])([O-])[C@H](Nc1[nH+]ccc2ccccc12)[P@@](=O)([O-])O,0.0
O=P([O-])([O-])[C@](O)(Cc1cnc2ccccn12)[P@@](=O)([O-])O,0.0
C[N@H+](CCCCc1ccccc1)CC[C@@](O)(P(=O)([O-])[O-])[P@@](=O)([O-])O,0.0
C[N@H+](CCCc1ccccc1)CC[C@@](O)(P(=O)([O-])[O-])[P@@](=O)([O-])O,0.0
Nc1ccccc1C[C@@](O)(P(=O)([O-])[O-])[P@@](=O)([O-])O,0.0
O=P([O-])([O-])[C@](O)(Cc1ccccc1)[P@@](=O)([O-])O,0.0
C[N@H+](CCc1ccccc1)CC[C@@](O)(P(=O)([O-])[O-])[P@@](=O)([O-])O,0.0
O=P([O-])([O-])[C@@H](Cn1cnc2ccccc21)[P@@](=O)([O-])O,0.0
O=P([O-])([O-])[C@](O)(CC[NH2+]CCCCc1ccccc1)[P@@](=O)([O-])O,0.0
C[n+]1cccc(C[C@](O)(P(=O)([O-])[O-])[P@@](=O)([O-])O)c1,0.0
O=P([O-])([O-])[C@](O)(CCc1cccnc1)[P@@](=O)([O-])O,0.0
Cc1cc[nH+]c(N[C@@H](P(=O)([O-])[O-])[P@@](=O)([O-])O)c1,0.0
O=P([O-])([O-])[C@@](F)(Cc1cccnc1)[P@@](=O)([O-])O,0.0
Cc1cccc(N[C@@H](P(=O)([O-])[O-])[P@@](=O)([O-])O)[nH+]1,0.0
O=P([O-])([O-])[C@](O)(Cc1cccnc1)[P@@](=O)([O-])O,0.0
Cc1ccc[nH+]c1NC[C@@H](P(=O)([O-])[O-])[P@@](=O)([O-])O,0.0
O=P([O-])([O-])[C@H](Cn1cnc2cncnc21)[P@@](=O)([O-])O,0.0
O=P([O-])([O-])[C@](O)(Cc1ccccn1)[P@@](=O)([O-])O,0.0
O=P([O-])([O-])[C@](O)(Cc1ccncc1)[P@@](=O)([O-])O,0.0
O=P([O-])([O-])[C@H]([NH2+]C1CCCCCCC1)[P@@](=O)([O-])O,0.0
CCCCCCCCCCC[C@@](O)(P(=O)([O-])[O-])[P@@](=O)([O-])O,0.0
CCCCCCCCC[C@@](O)(P(=O)([O-])[O-])[P@@](=O)([O-])O,0.0
O=P([O-])([O-])[C@@](Br)(Cc1cccnc1)[P@@](=O)([O-])O,0.0
Cc1ccc[nH+]c1N[C@@H](P(=O)([O-])[O-])[P@@](=O)([O-])O,0.0
O=P([O-])([O-])[C@H]([NH2+]C1CCCCC1)[P@@](=O)([O-])O,0.0
CCCCCCCCCC[C@@](O)(P(=O)([O-])[O-])[P@@](=O)([O-])O,0.0
O=P([O-])([O-])[C@H](Cc1cccnc1)[P@@](=O)([O-])O,0.0
CCCCCC[C@H](CCCC)[C@](O)(P(=O)([O-])[O-])[P@@](=O)([O-])O,0.0
O=P([O-])([O-])[C@H](Nc1cccc[nH+]1)[P@@](=O)([O-])O,0.0
O=P([O-])([O-])[C@H](C[C@H]1CCCC[NH2+]1)[P@@](=O)([O-])O,0.0
O=P([O-])([O-])[C@H](Cc1ccccn1)[P@@](=O)([O-])O,0.0
CCCCCC[C@@](O)(P(=O)([O-])[O-])[P@@](=O)([O-])O,0.0
CCCCCCC[C@@](O)(P(=O)([O-])[O-])[P@@](=O)([O-])O,0.0
O=P([O-])([O-])[C@H](Nc1ccc(Br)cn1)[P@@](=O)([O-])O,0.0
CCCCCCCC[C@@](O)(P(=O)([O-])[O-])[P@@](=O)([O-])O,0.0
CCCCCCCC[C@H](P(=O)([O-])[O-])[P@@](=O)([O-])O,0.0
CCCCCCCCCCCCCCC[C@@](O)(P(=O)([O-])[O-])[P@@](=O)([O-])O,0.0
O=P([O-])([O-])[C@@H](Nc1cccnc1)[P@@](=O)([O-])O,0.0
CCCCCC[C@H](P(=O)([O-])[O-])[P@@](=O)([O-])O,0.0
C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC21O[C@H](c2ccccc2)[C@@H](c2ccccc2)O1,0.0
C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@]21OC[C@@H](c2ccccc2)O1,0.0
COc1c(O)ccc2c1C1=C(/C(=C/c3cccc(-c4ccccc4)c3)O2)[C@@H]2C(C)=CC(C)(C)N[C@H]2C=C1,0.0
C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@@H](O)c1ccc2ccccc2c1,0.0
C/C=C/[C@H]1OC2(CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@@]32C)O[C@@H]1/C=C/C,0.0
N#Cc1cc(F)cc(-c2ccc3c(c2)C2(CCCCC2)C(=S)N3)c1,0.0
C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@@H]2[C@@H](O)c1coc2ccccc12,0.0
C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@@H]2[C@H](O)c1cccc2ccccc12,0.0
Cc1cc(-c2cccc3[nH]ccc23)c(Cl)c2c1NC(C)(C)C[C@@H]2C,0.0
C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@@H]2[C@@H](O)c1csc2ccccc12,0.0
C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@@H](O)Cc1ccc(F)cc1,0.0
C[C@]12Cn3c[nH+]c(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@](C)(O)C1CCCCC1,0.0
Cc1noc(=O)c2ccc(NC(=O)[C@](O)(CC(C)(C)c3cc(F)ccc3O)C(F)(F)F)cc12,0.0
Cn1c(=O)[nH]c(N2CCC(Cc3ccccc3)CC2)c(Cc2cccc(Cl)c2)c1=O,0.0
O=C1C=C2CCN(S(=O)(=O)c3ccc(-c4ccccc4)cc3)C[C@@]2(Cc2ccccc2)CC1,0.0
C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@@H](O)c1cc2ccccc2s1,0.0
C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@@H](O)CCc1ccccc1,0.0
COc1cccc(-c2ccccc2CNC(=O)c2cnc3c(c(C)nn3C)c2Cl)c1,0.0
C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@@H]2[C@H](O)c1ccc(F)cc1,0.0
C[C@]12Cn3c[nH+]c(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@@H](O)c1csc2ccccc12,0.0
CC(C)(C[C@](O)(Cc1ccc2ccccc2c1)C(=O)Nc1ccc2c(c1)COC2=O)c1ccccc1,0.0
O=S(=O)(Cc1ccccc1)Nc1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c(C(F)(F)F)c1,0.0
C[C@]12Cn3c[nH+]c(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@](C)(O)C1CCOCC1,0.0
C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@@H]2[C@H](O)c1ccsc1,0.0
C[C@]12Cn3c[nH+]c(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@](C)(O)Cc1ccc(F)cc1,0.0
C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@H](O)c1ccc(F)nc1,0.0
Cc1cc(-c2c[nH]c3ccccc23)c(Cl)c2c1NC(C)(C)C[C@@H]2C,0.0
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)Cc4ccc(CC(=O)[O-])cc4)cc3)C[C@@]21C,0.0
C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@@H](O)c1ccc(F)cc1,0.0
O=c1[nH]c(N2CCC(c3cccc(Cl)c3)CC2)c(Cc2ccccc2)c(=O)[nH]1,0.0
COc1cccc(S(=O)(=O)[N-]c2ccc(-c3ccc4c(cnn4-c4ccc(F)cc4)c3)c(C(F)(F)F)c2)c1,0.0
Cc1cc(-c2cc3ccccc3[nH]2)c(Cl)c2c1NC(C)(C)C[C@@H]2C,0.0
CN(c1ccccc1)S(=O)(=O)c1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c(C(F)(F)F)c1,0.0
C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@@H](O)c1ccc(Oc2ccccc2)cc1,0.0
Cc1ccc([C@@](C)(O)[C@H]2CCCC3=Cc4c(-c5ccc(F)cc5)[nH+]cn4C[C@@]32C)s1,0.0
C[C@]12Cn3c[nH+]c(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@](C)(O)c1ccccc1,0.0
Nc1nc(N2CC[NH2+]CC2)c2c([nH+]1)C1=C(CC2)O[C@H]2CCCC[C@@H]12,0.0
CC(C)(C)c1ccc(S(=O)(=O)N2CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@]3(Cc3ccc(F)cc3)C2)cn1,0.0
C[C@]12Cn3c[nH+]c(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@](C)(O)c1nccs1,0.0
Cc1cc(-c2ccc3cc[nH]c3c2)c(Cl)c2c1NC(C)(C)C[C@@H]2C,0.0
OCCNc1nc(Nc2cc(-c3ccccc3)ccc2O)nc(N2CCCC2)n1,0.0
O=S(=O)(NC[C@H]1[NH2+][C@H](CO)[C@H](O)[C@@H]1O)c1cccc2ccccc12,0.0
Cc1cc(N2CCC(C)CC2)[nH+]c2ccc(NC(=O)[C@H]3CC[C@H](C)CC3)cc12,0.0
CCC[C@H]1CC[C@H](C(=O)Nc2ccc3[nH+]c(N4CCOCC4)cc(C)c3c2)CC1,0.0
Cc1cc(N2CCN(c3ncccn3)CC2)[nH+]c2ccc(NC(=O)[C@H]3CC[C@H](C)CC3)cc12,0.0
CN(C)c1cccc2c(S(=O)(=O)NC[C@H]3[NH2+][C@H](CO)[C@H](O)[C@@H]3O)cccc12,0.0
Cc1cc(N2CCCCC2)[nH+]c2ccc(NC(=O)[C@H]3CC[C@H](C)CC3)cc12,0.0
O=C(NC[C@H]1[NH2+][C@H](CO)[C@H](O)[C@@H]1O)c1cccc2ccccc12,0.0
Cc1cc(N2CCOCC2)[nH+]c2ccc(NC(=O)C3CCCCC3)cc12,0.0
Cc1cc(N2CCOCC2)[nH+]c2ccc(NC(=O)[C@H]3CC[C@H](C)CC3)cc12,0.0
C#CCOc1ccc(C(=O)c2ccc(C(=O)NCCC[N@@H+]3C[C@H](O)[C@@H](O)[C@H](O)[C@H]3CO)cc2)cc1,0.0
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cc(C)on3)cc2)cc1,0.0
OCCNc1nc(Nc2cc(Cl)ccc2O)nc(N2CCCC2)n1,0.0
O=C(CCc1ccccc1)NC[C@@H]1[NH2+][C@H](CO)[C@H](O)[C@@H]1O,0.0
CCCCCCCCCC(=O)N[C@H](C[NH2+][C@@H]1C=C(CO)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H](O)c1ccccc1,0.0
CCCCCCCCCC(=O)N[C@@H](C[NH2+][C@@H]1C=C(CO)[C@@H](O)[C@@H](O)[C@@H]1O)[C@H](O)c1ccccc1,0.0
CCCCCCCCCC(=O)N[C@@H](C[NH2+][C@@H]1C=C(CO)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H](O)c1ccccc1,0.0
Cc1cc(N2CCOCC2)[nH+]c2ccc(NC(=O)C3CC3)cc12,0.0
CN(C)c1cccc2c(S(=O)(=O)NCCO)cccc12,0.0
CCCCCCCCCC[NH2+][C@@H]1C=C(CO)[C@@H](O)[C@@H](O)[C@@H]1O,0.0
CCCCCCCCCCn1cc(C[NH2+][C@@H]2[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]2O)nn1,0.0
CCOc1ccc(Cl)cc1Nc1nc(NCCO)nc(N2CCCC2)n1,0.0
COc1ccc(Cl)cc1Nc1nc(NCCO)nc(N2CCCC2)n1,0.0
CCCCCCCCCC[NH2+][C@@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O,0.0
CCCCCC[NH2+][C@H]1C[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O,0.0
CCCCCCCCCCCCCCn1cc(C[NH2+][C@@H]2[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]2O)nn1,0.0
CCCCCC[NH2+][C@@H]1C=C(CO)[C@@H](O)[C@@H](O)[C@@H]1O,0.0
CCCCCCCCC[C@H]1[NH2+]C[C@@H](O)[C@H](O)[C@H]1O,0.0
CCOc1ccccc1Nc1nc(NCCO)nc(N2CCCC2)n1,0.0
CCCCCCCC[NH2+][C@@H]1C=C(CO)[C@@H](O)[C@@H](O)[C@@H]1O,0.0
CCCCCCCCCC[NH2+][C@H]1C[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O,0.0
CCCCCCCCCCCCCC[NH2+][C@@H]1C=C(CO)[C@@H](O)[C@@H](O)[C@@H]1O,0.0
CCCCCC[C@H]1[NH2+]C[C@@H](O)[C@H](O)[C@H]1O,0.0
CCCCCCCCCCCCn1cc(C[NH2+][C@@H]2[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]2O)nn1,0.0
CCCCCCCCCCCC(=O)NC[C@H]1[NH2+][C@H](CO)[C@H](O)[C@@H]1O,0.0
CCCCCCCCCCCCCCCCCC[NH2+][C@@H]1C=C(CO)[C@@H](O)[C@@H](O)[C@@H]1O,0.0
O=c1[nH]c2c(n3ccnc13)C1(CC[NH2+]CC1)c1ccccc1-2,0.0
O=C([O-])c1cn2c3c([nH]c(=O)c2n1)-c1cccc(C/C([O-])=N/S(=O)(=O)c2ccccc2)c1C3,0.0
O=c1[nH]c2c(n3ccnc13)[C@]1(CC[NH2+]C1)c1ccccc1-2,0.0
O=C([O-])Cc1cccc2c1Cc1c-2[nH]c(=O)c2nc(-c3ccc(C(=O)[O-])cc3)cn12,0.0
O=C(NCCc1ccccc1)Nc1ccc2c(c1)Cc1c-2[nH]c(=O)c2nccn12,0.0
O=C([O-])c1cn2c3c(nc([O-])c2n1)-c1ccccc1[C@H]3n1cccc1,0.0
O=c1c2cc(F)ccc2nc(C#Cc2ccccc2F)n1-c1ccccc1Cl,0.0
O=C([O-])c1cn2c3c(nc([O-])c2n1)-c1ccccc1C3=O,0.0
O=C(Cc1ccccc1)Nc1ccc2c(c1)Cc1c-2[nH]c(=O)c2nccn12,0.0
O=C(Nc1ccc2c(c1)Cc1c-2[nH]c(=O)c2nccn12)c1ccccc1,0.0
O=C(Nc1ccc(C(=O)[O-])cc1)OCCc1cn(-c2cc3nc(C(=O)[O-])c([O-])nc3cc2[N+](=O)[O-])cn1,0.0
O=C(NCc1ccccc1)Nc1ccc2c(c1)Cc1c-2[nH]c(=O)c2nccn12,0.0
O=C([O-])Cc1cccc2c1Cc1c-2[nH]c(=O)c2nc(C(=O)[O-])cn12,0.0
O=C(Nc1ccccc1)Nc1ccc2c(c1)Cc1c-2[nH]c(=O)c2nccn12,0.0
CCOC(=O)c1cc2c3cc(-n4cnnc4)c(Cl)cc3nc([O-])n2n1,0.0
O=c1c2cc(F)ccc2nc(/C=C/c2ccccc2F)n1-c1ccccc1Cl,0.0
O=C(NCc1ccccc1Br)OCc1cn(-c2cc3nc(C(=O)[O-])c([O-])nc3cc2[N+](=O)[O-])cn1,0.0
O=C([O-])Cn1c(=O)c(=O)[nH]c2cc(C(F)(F)F)c(-n3ccc(CNC(=O)c4ccccc4)c3)cc21,0.0
COc1ccc(NC(=O)NCc2cc([N+](=O)[O-])cc3[nH]c(=O)c(=O)[nH]c23)cc1,0.0
O=c1[nH]c2cc(-n3cnc(-c4ccccc4)c3)c([N+](=O)[O-])cc2nc1[O-],0.0
O=C(Cc1cccc2ccccc12)N1CCC(C[NH2+]CCCC[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)CC1,0.0
C[N@H+]1CC[C@H](C[NH2+]CCCC[NH2+]CC2CCN(C(=O)Cc3cccc4ccccc34)CC2)CC1,0.0
O=C([O-])Cn1c(=O)c(=O)[nH]c2cc(C(F)(F)F)c(-n3ccc(CNC(=O)Nc4ccc(Br)cc4)c3)cc21,0.0
O=C([O-])Cn1c(=O)c(=O)[nH]c2cc(C(F)(F)F)c(-n3ccc(CNC(=O)Cc4ccccc4)c3)cc21,0.0
O=C(Cc1cccc2ccccc12)N1CCC(C[NH2+]CCCC[NH2+]CC2CCCCC2)CC1,0.0
O=C([O-])Cn1c(=O)c(=O)[nH]c2cc(C(F)(F)F)c(-n3ccc(CNC(=O)NCc4ccccc4)c3)cc21,0.0
O=C(Cc1cccc2ccccc12)N1CCC(C[NH2+]CCCC[NH+]2CCCCC2)CC1,0.0
O=C(Cc1cccc2ccccc12)N1CCC(C[NH2+]CCCC[NH2+]C[C@@H]2CCC[NH2+]C2)CC1,0.0
O=Cc1ccn(-c2cc3c(cc2Cl)nc([O-])n2nc(C(=O)[O-])cc32)c1,0.0
O=C(NCc1ccn(-c2cc3[nH]c(=O)c(=O)[nH]c3cc2[N+](=O)[O-])c1)Nc1ccncc1,0.0
C[N@@H+]1CCC[C@]12c1ccccc1-c1[nH]c(=O)c3nccn3c12,0.0
O=C(Nc1ccccc1)OCc1cn(-c2cc3nc(C(=O)[O-])c(=O)[nH]c3cc2[N+](=O)[O-])ccc1=O,0.0
O=C([O-])c1cn2c3c([nH]c(=O)c2n1)-c1ccc(F)cc1C3,0.0
O=C([O-])Cn1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])c(-n3ccc(C[N@H+]4CC[C@H](c5ccccc5)CC4)c3)cc21,0.0
O=C([O-])c1cn2c3c([nH]c(=O)c2n1)-c1ccccc1C3,0.0
NS(=O)(=O)c1cccc2c1c([N+](=O)[O-])cc1[nH]c(=O)c(=O)[nH]c12,0.0
Nc1ccc2c(c1)Cc1c-2[nH]c(=O)c2nc(C(=O)[O-])cn12,0.0
O=C([O-])Cn1c(=O)c(=O)[nH]c2cc(C(F)(F)F)c(-n3ccc(CNC(=O)Nc4ccc(C(F)(F)F)cc4)c3)cc21,0.0
CNC(=O)Nc1ccc2c(c1)[C@@H](CC(=O)[O-])c1c-2[nH]c(=O)c2nccn12,0.0
O=C([O-])Cn1c(=O)c(=O)[nH]c2cc(C(F)(F)F)c(-n3ccc(CNC(=O)Nc4ccc(Br)cc4)c3)cc21,0.0
O=C([O-])Cn1c(=O)c(=O)[nH]c2cc(C(F)(F)F)c(-n3ccc(CNC(=O)Nc4ccc([N+](=O)[O-])cc4)c3)cc21,0.0
CCOC(=O)c1ccc(NC(=O)NCc2ccn(-c3cc4c(cc3C(F)(F)F)[nH]c(=O)c(=O)n4CC(=O)[O-])c2)cc1,0.0
N[C@H](Cc1c(-c2nnn(Cc3ccccc3)n2)o[nH]c1=O)C(=O)[O-],0.0
O=C([O-])Cn1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])c(-n3ccc(CN4CC[NH+](Cc5ccccc5)CC4)c3)cc21,0.0
O=C([O-])Cn1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])c(-n3ccc(CN4CC[NH+](CCc5ccccc5)CC4)c3)cc21,0.0
CCOC(=O)c1cn2c3c(nc([O-])c2n1)-c1ccc(NC(=O)NC)cc1C3,0.0
Cc1cn(C[C@H]([NH3+])C(=O)[O-])c(=O)n(Cc2cc(-c3ccccc3)sc2C(=O)[O-])c1=O,0.0
C[N@@H+]1CCC[C@]12c1ccccc1-c1[nH]c(=O)c3nccn3c12,0.0
O=c1[nH]c2cc([N+](=O)[O-])c([N+](=O)[O-])cc2cc1[N-]S(=O)(=O)C(F)(F)F,0.0
CC[C@H](C)N1CCc2c([N+](=O)[O-])cc3[nH]c(=O)c(=O)[nH]c3c2C1,0.0
O=C([O-])Cn1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])c(-n3ccc(C[NH+]4CCCCC4)c3)cc21,0.0
[NH3+][C@@H](C[C@@H](C/C=C/c1cccc2ccccc12)C(=O)[O-])C(=O)[O-],0.0
CC(C)N1CCc2c([N+](=O)[O-])cc3[nH]c(=O)c(=O)[nH]c3c2C1,0.0
CN1CCc2c(c([N+](=O)[O-])cc3[nH]c(=O)c(=O)[nH]c23)C1,0.0
CCN1CCc2c(c([N+](=O)[O-])cc3[nH]c(=O)c(=O)[nH]c23)C1,0.0
[NH3+][C@@H](C[C@@H](C/C=C/c1ccc2ccccc2c1)C(=O)[O-])C(=O)[O-],0.0
CC[C@H](C)N1CCc2c(Br)cc3[nH]c(=O)c(=O)[nH]c3c2C1,0.0
O=c1[nH]c2cc([N+](=O)[O-])c([N+](=O)[O-])cc2cc1P(=O)([O-])[O-],0.0
[NH3+][C@@H](C[C@@H](C/C=C/c1ccc(-c2ccccc2)cc1)C(=O)[O-])C(=O)[O-],0.0
O=C([O-])c1cc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]c1=O,0.0
CN1CCc2c([N+](=O)[O-])cc3[nH]c(=O)c(=O)[nH]c3c2C1,0.0
O=C([O-])Cn1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])c(-n3ccc(C[NH2+]CCCc4ccccc4)c3)cc21,0.0
COc1cccc(/C=C/C[C@H](C[C@H]([NH3+])C(=O)[O-])C(=O)[O-])c1,0.0
CCN1CCc2c([N+](=O)[O-])cc3[nH]c(=O)c(=O)[nH]c3c2C1,0.0
[NH3+][C@@H](C[C@@H](C/C=C/c1ccccc1)C(=O)[O-])C(=O)[O-],0.0
COc1ccccc1/C=C/C[C@H](C[C@H]([NH3+])C(=O)[O-])C(=O)[O-],0.0
C[C@@H]1CCC=C(C[C@H](N)C(=O)[O-])c2c1o[nH]c2=O,0.0
O=C([O-])c1cn(C[C@H]2CC[C@H]3C[NH2+][C@H](C(=O)[O-])C[C@H]3C2)cn1,0.0
[NH3+][C@@H](C[C@@H](C/C=C/c1ccc(C(F)(F)F)cc1)C(=O)[O-])C(=O)[O-],0.0
CC[C@H](C)CN1CCc2c([N+](=O)[O-])cc3[nH]c(=O)c(=O)[nH]c3c2C1,0.0
[NH3+][C@@H](C[C@@H](C/C=C/c1ccc(Cl)cc1)C(=O)[O-])C(=O)[O-],0.0
[NH3+][C@@H](Cn1c(=O)c(=O)[nH]c2ccccc21)C(=O)[O-],0.0
O=C(/C=C/c1ccc(C[N@@H+](CCc2c[nH]c3ccccc23)C2CCCCC2)cc1)NO,0.0
Nc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(N2CCC3(CC[NH2+]C3)CC2)nc1,0.0
Cn1cc(/C=C/C(=O)c2cccc3ccccc23)cc1/C=C/C(=O)NO,0.0
O=C(/C=C/c1ccc(C[N@@H+](CCc2c[nH]c3ccccc23)C2CCOCC2)cc1)NO,0.0
O=C(NO)c1ccc(CNC(=O)c2ccc3ccccc3c2)cc1,0.0
COC(=O)NCc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2N)cc1,0.0
O=C(NO)c1ccc(CNC(=O)c2cccc3ccccc23)cc1,0.0
O=C1CN(Cc2ccc(C(=O)NO)cc2)c2ccccc2N1,0.0
C[C@H]1CN(c2ccc(C(=O)Nc3cc(-c4ccccc4)ccc3N)cn2)CCN1C(=O)OCc1ccccc1,0.0
O=C(CCCCCN1C(=O)c2cccc3cccc(c23)C1=O)NO,0.0
O=C(/C=C/c1ccc(C[N@H+]2CCc3c([nH]c4ccccc34)C2)cc1)NO,0.0
O=C(/C=C/c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)NO,0.0
O=C(/C=C/c1ccc(C[NH2+]CCn2c3ccccc3c3ccccc32)cc1)NO,0.0
O=C(NO)c1cnc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nc1,0.0
O=C(NO)c1ccc(CNC(=O)c2ccc(-c3ccccc3)cc2)cc1,0.0
O=C(/C=C/c1ccc(C[NH2+]CCCn2c3ccccc3c3ccccc32)cc1)NO,0.0
O=C(/C=C/c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)NO,0.0
Nc1ccc(-c2ccccc2)cc1NC(=O)c1cccnc1,0.0
C[C@H]1CN(c2ccc(C(=O)Nc3ccccc3N)cn2)CCN1C(=O)OCc1ccccc1,0.0
O=C(/C=C/c1ccc(C[N@H+]2CC[C@H](c3c[nH]c4ccccc43)CC2)cc1)NO,0.0
Nc1ccccc1NC(=O)c1ccc(CNc2nccc(-c3cccnc3)n2)cc1,0.0
COc1ccc(NCc2ccc(C(=O)Nc3cc(-c4ccccc4)ccc3N)cc2)cc1OC,0.0
O=C(CCCCCCNC(=O)c1cn(-c2ccccc2)c2ccccc12)NO,0.0
CC(C)(CCc1ccccc1)C(=O)Nc1ccc(C(=O)NO)cc1,0.0
O=C(/C=C/c1ccc(NCCCc2c[nH]c3ccccc23)cc1)NO,0.0
O=C(CCCCc1ccccc1)Nc1ccc(C(=O)NO)cc1,0.0
O=C(/C=C/c1ccc(C[NH2+]Cc2c[nH]c3ccccc23)cc1)NO,0.0
COc1ccc(NCc2ccc(C(=O)Nc3cc(-c4ccsc4)ccc3N)cc2)cc1OC,0.0
COc1ccc(NCc2ccc(C(=O)Nc3cc(-c4ccoc4)ccc3N)cc2)cc1OC,0.0
Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(N2CCC3(CC[NH2+]C3)CC2)nc1,0.0
Nc1ccccc1NC(=O)c1ccc(C(C(=O)Nc2ccccc2)C(=O)Nc2ccccc2)cc1,0.0
O=C(/C=C/c1ccc(C[NH2+]CCCc2c[nH]c3ccccc23)cc1)NO,0.0
Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1,0.0
O=C(/C=C/c1ccc2c(c1)nc(CCc1ccccc1)n2CC[NH+]1CCCC1)NO,0.0
[NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1-c1ccc(NC(=O)CCCCCCC(=O)NO)cc1,0.0
CC(C)(C)c1[nH]c2ccccc2c1[C@H]1CCC[N@@H+](Cc2ccc(/C=C/C(=O)NO)cc2F)C1,0.0
O=C(/C=C/c1cccc(C(=O)c2cc3ccccc3[nH]2)c1)NO,0.0
O=C(/C=C/c1cccc(-c2nc3ccccc3n2C2CCCCC2)c1)NO,0.0
O=C(/C=C/c1cccc(C(=O)c2cc3ccccc3o2)c1)NO,0.0
O=C(NO)c1ccc(CN2c3ccccc3NC(=O)[C@H]2CCc2ccccc2)cc1,0.0
O=C(/C=C/c1ccc(C[N@@H+](CCc2c[nH]c3ccccc23)C2CCCCC2)cc1)NO,0.0
O=C(/C=C/c1cccc(-c2nc3ccccc3n2CCc2ccccc2)c1)NO,0.0
O=C(/C=C/c1cccc(-c2nc3ccccc3n2-c2ccccc2)c1)NO,0.0
Cn1cc(/C=C/C(=O)c2cccc3ccccc23)cc1/C=C/C(=O)NO,0.0
CC(C)n1c(-c2cccc(/C=C/C(=O)NO)c2)nc2ccccc21,0.0
CC[N@@H+]1CCC[C@@H](n2c(Cc3ccccc3)nc(C)c2-c2cccc(/C=C/C(=O)NO)c2)C1,0.0
O=C(/C=C/c1ccc(C[N@@H+](CCc2c[nH]c3ccccc23)C2CCOCC2)cc1)NO,0.0
O=C(NO)c1ccc(CNC(=O)c2ccc3ccccc3c2)cc1,0.0
O=C(/C=C/c1cccc(-c2nc3ccccc3n2CCCc2ccccc2)c1)NO,0.0
O=C(NO)c1ccc(CNC(=O)c2cccc3ccccc23)cc1,0.0
O=C1CN(Cc2ccc(C(=O)NO)cc2)c2ccccc2N1,0.0
O=C(CCCCCN1C(=O)c2cccc3cccc(c23)C1=O)NO,0.0
CC[N@@H+]1CCC[C@@H](n2c(-c3cccc(/C=C/C(=O)NO)c3)nc(C)c2C)C1,0.0
O=C(/C=C/c1ccc(C[N@H+]2CCc3c([nH]c4ccccc34)C2)cc1)NO,0.0
O=C(/C=C/c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)NO,0.0
O=C(/C=C/c1ccc(C[NH2+]CCn2c3ccccc3c3ccccc32)cc1)NO,0.0
O=C(NO)c1cnc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nc1,0.0
O=C(NO)c1ccc(CNC(=O)c2ccc(-c3ccccc3)cc2)cc1,0.0
O=C(C=C1c2ccccc2-c2ccccc21)NCCCCCC(=O)NO,0.0
CC[N@@H+]1CCC[C@@H](n2c(C)nc(C)c2-c2cccc(/C=C/C(=O)NO)c2)C1,0.0
O=C(/C=C/c1ccc(C[NH2+]CCCn2c3ccccc3c3ccccc32)cc1)NO,0.0
O=C(/C=C/c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)NO,0.0
O=C(/C=C/c1cccc(-c2nc3ccccc3n2CC2CC[NH2+]CC2)c1)NO,0.0
O=C(/C=C/c1ccc(C(=O)N/N=C/c2ccc(O)c(O)c2O)cc1)NO,0.0
O=C(NC[C@H]1CC[C@H](C(=O)NO)CC1)c1ccc(-c2ccccc2)cc1,0.0
Cc1c(-c2ccccc2)[nH+]c(-c2cccc(/C=C/C(=O)NO)c2)n1CCc1ccccc1,0.0
O=C(/C=C/c1ccc(C[N@H+]2CC[C@H](c3c[nH]c4ccccc43)CC2)cc1)NO,0.0
Cc1[nH+]c(Cc2ccccc2)n(CCc2ccccc2)c1-c1cccc(/C=C/C(=O)NO)c1,0.0
C[C@@H](c1ccccc1)n1c(-c2cccc(/C=C/C(=O)NO)c2)nc2ccccc21,0.0
Cc1[nH+]c(-c2cccc(/C=C/C(=O)NO)c2)n(CCN2CCOCC2)c1-c1ccccc1,0.0
CC(C)(CCc1ccccc1)C(=O)Nc1ccc(C(=O)NO)cc1,0.0
O=C(/C=C/c1ccc(NCCCc2c[nH]c3ccccc23)cc1)NO,0.0
O=C(CCCCc1ccccc1)Nc1ccc(C(=O)NO)cc1,0.0
O=C(/C=C/c1cccc(-c2nc3ccccc3n2CC[NH+]2CCCCC2)c1)NO,0.0
Cc1c(-c2ccccc2)[nH+]c(-c2cccc(/C=C/C(=O)NO)c2)n1CCN1CCOCC1,0.0
O=C(/C=C/c1ccc(C[NH2+]Cc2c[nH]c3ccccc23)cc1)NO,0.0
O=C(/C=C/c1ccc(C[NH2+]Cc2cc3ccccc3[nH]2)cc1)NO,0.0
O=C(/C=C/c1ccc(C[N@@H+](CCOC(=O)NCc2ccoc2)CCc2c[nH]c3ccccc23)cc1)NO,0.0
O=C(/C=C/c1ccc(C[NH2+]CCCc2c[nH]c3ccccc23)cc1)NO,0.0
O=C(c1cc(Cc2ccccc2)cc(CN2CCCS2(=O)=O)c1)c1ncc2cccnc2c1O,0.0
O=C(c1cccc(Cc2ccccc2)c1)c1ccc2cccnc2c1O,0.0
O=C1/C(=C/c2ccc(O)c(O)c2)CCC/C1=C\c1ccc(O)c(O)c1,0.0
O=C(NCCCNC(=O)c1ccc2cc(O)c(O)cc2c1)c1ccc2cc(O)c(O)cc2c1,0.0
O=C(NCCCNC(=O)c1ccc2c(O)c(O)ccc2c1)c1ccc2c(O)c(O)ccc2c1,0.0
O=C(c1cccc(Cc2ccccc2)c1)c1ncc2cccnc2c1O,0.0
O=C1C[C@@H](c2nc(C(=O)NCc3ccc(F)cc3)c(O)c3ncccc23)NC(=O)N1,0.0
O=C(/C=C/c1ccc(O)c(O)c1)c1cccc(C(=O)/C=C/c2ccc(O)c(O)c2)c1,0.0
O=C1/C(=C/c2ccc(O)c(O)c2)CNC/C1=C\c1ccc(O)c(O)c1,0.0
O=C1/C(=C/c2ccc(O)c(O)c2)COC/C1=C\c1ccc(O)c(O)c1,0.0
COc1c2c(c(O)c3ncc(F)cc13)C(=O)N(Cc1ccc(F)cc1)C2,0.0
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)c(O)c(O)c12,0.0
O=C1c2c(c(O)c3ncccc3c2O)C(=O)N1Cc1ccc(F)cc1,0.0
O=C(NCc1ccc(F)cc1)c1nc(N2CCCCS2(=O)=O)c2cccnc2c1O,0.0
O=C(/C=C\c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)[O-])C[C@H]1OC(=O)/C=C\c1ccc(O)c(O)c1,0.0
O=C(/C=C/c1ccc(O)c(O)c1)CC(=O)/C=C/c1ccc(O)c(O)c1,0.0
O=C(/C=C/c1ccc(O)c(O)c1)/C=C/c1ccc(O)c(O)c1,0.0
O=C([O-])C(=O)CC(=O)c1cn(Cc2ccccc2)c(=O)n(Cc2ccccc2)c1=O,0.0
CC(=O)N1CCN(c2nc(C(=O)NCc3ccc(F)cc3)c(O)c3ncccc23)CC1,0.0
CN(C(=O)C(=O)N1CCCCC1)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12,0.0
CN(C(=O)C(N)=O)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12,0.0
COc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C21CC1,0.0
C[NH+]1CCN(c2nc(C(=O)NCc3ccc(F)cc3)c(O)c3ncccc23)CC1,0.0
CCN1CCN(c2nc(C(=O)NCc3ccc(F)cc3)c(O)c3ncccc23)C(=O)C1=O,0.0
CN(C(=O)C(=O)N1CCCC1)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12,0.0
COc1ccc(/C=C2/C(=O)N(C(=O)c3ccccc3O)N=C2C)cc1OC,0.0
CNC(=O)C(=O)N(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12,0.0
COc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)[C@@H]2O,0.0
O=C(NCc1ccccn1)c1c2c(c([O-])c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2,0.0
O=C(NCc1ccc(F)cc1)c1nc(Cc2ccccc2)[nH]c(=O)c1O,0.0
COc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2=O,0.0
COc1c2c(c([O-])c3nccnc13)C(=O)N(Cc1ccc(F)cc1)C2,0.0
O=c1oc2c(c(O)c1[C@@H](c1cccc(NS(=O)(=O)c3ccc4ccccc4c3)c1)C1CC1)CCCCCC2,0.0
O=C1N(CC2CC2)[C@H](Cc2ccc3ccccc3c2)[C@H](O)[C@@H](O)[C@@H](Cc2ccc3ccccc3c2)N1CC1CC1,0.0
O=c1oc2c(c(O)c1[C@@H](c1cccc([N-]S(=O)(=O)c3ccc4ccccc4[nH+]3)c1)C1CC1)CCCCCC2,0.0
O=c1oc2c(c(O)c1[C@@H](c1cccc(NS(=O)(=O)c3cccc4ccccc34)c1)C1CC1)CCCCCC2,0.0
O=c1oc2c(c(O)c1[C@@H](c1cccc([N-]S(=O)(=O)CCc3ccccc3)c1)C1CC1)CCCCCC2,0.0
O=C(N[C@@H](CCCCNc1cccc2ccccc12)C(=O)[O-])OCC1c2ccccc2-c2ccccc21,0.0
Cc1cc(SC2=C([O-])O[C@](C)(CCc3ccc(O)cc3)CC2=O)c(C(C)(C)C)cc1OS(=O)(=O)c1ccccc1,0.0
CC[C@H](Cc1ccccc1)c1cc(O)c([C@H](c2cccc([N-]S(=O)(=O)c3cccc4cccnc34)c2)C2CC2)c(=O)o1,0.0
Nc1cccc(N2C(=O)N(c3cccc(N)c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1,0.0
Cc1cc(O)c(C)c(C(=O)N[C@@H](Cc2ccc3ccccc3c2)[C@H](O)C(=O)N2C[C@@H](Cl)C[C@H]2C(=O)NC(C)(C)C)c1,0.0
O=C1N(Cc2ccc3[nH]ncc3c2)[C@H](Cc2ccccc2)[C@H](O)[C@H](O)[C@]23CC[C@H]([C@H](OCc4ccccc4)C2)N13,0.0
CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](CSc1ccc2ccccc2c1)NC(=O)c1ccnc2ccccc12,0.0
COc1ccc2c([O-])c([C@H](c3cccc([N-]S(=O)(=O)c4ccc(C#N)cc4)c3)C3CC3)c(=O)oc2c1,0.0
O=C1C[C@](CCc2ccccc2)(c2ccccc2)OC([O-])=C1Sc1ccccc1C1CCCCC1,0.0
Nc1[nH][nH+]c2ccc(CN3C(=O)N[C@H](CCc4ccccc4)[C@@H](O)[C@H]3Cc3ccccc3)cc12,0.0
CC(C)c1ccccc1Sc1c([O-])cc(-c2cccc(-c3ccccc3)c2)oc1=O,0.0
CCC[C@]1(CCc2ccccc2)CC(=O)[C@H]([C@H](CC)c2cccc([N-]S(=O)(=O)c3cccc4cccnc34)c2)C(=O)O1,0.0
CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](CSc1ccc2ccccc2c1)NC(=O)c1cccc2[nH]ccc12,0.0
O=c1oc2c(c(O)c1[C@@H](c1cccc([N-]S(=O)(=O)/C=C/c3ccccc3)c1)C1CC1)CCCCCC2,0.0
CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](CSc1ccc2ccccc2c1)NC(=O)c1cccc2ncccc12,0.0
CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](CSc1ccc2ccccc2c1)NC(=O)c1cccc2c1CCCN2,0.0
O=C1N(Cc2ccc3[nH]ccc3c2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccc2[nH]ccc2c1,0.0
N/C(=N\O)c1cccc(CN2C(=O)N[C@H](CCc3ccccc3)[C@@H](O)[C@H]2Cc2ccccc2)c1,0.0
O=C1N(Cc2ccc3[nH]nnc3c2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccc2[nH]nnc2c1,0.0
Nc1cc(CN2C(=O)N(Cc3ccc4[nH]ncc4c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)ccc1F,0.0
O=C1N[C@H](CCc2ccccc2)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccc2[nH]ncc2c1,0.0
O=c1oc2c(c(O)c1[C@@H](c1cccc(NS(=O)(=O)Cc3ccccc3)c1)C1CC1)CCCCCC2,0.0
O=C1N(Cc2ccc3[nH]ncc3c2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccc2[nH]ncc2c1,0.0
CCC[C@H](c1cccc([N-]S(=O)(=O)c2cccc3cccnc23)c1)c1c(O)c2c(oc1=O)CCCCCC2,0.0
Cc1ccc(S(=O)(=O)Cc2cccc([C@H](c3c(O)c4c(oc3=O)CCCCCC4)C3CC3)c2)cc1,0.0
N/C(=N\O)c1cccc(CN2C(=O)N3[C@@H]([C@@H](O)[C@H]2Cc2ccccc2)[C@H]3Cc2ccccc2)c1,0.0
O=C1N(Cc2cccc(O)c2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccc2ccccc2c1,0.0
CC[C@H](Cc1ccccc1)c1cc(O)c([C@H](c2cccc([N-]S(=O)(=O)c3ccc(C#N)cc3)c2)C2CC2)c(=O)o1,0.0
O=C1N(Cc2cccnc2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccc2ccccc2c1,0.0
O=C1N(Cc2ccncc2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccc2ccccc2c1,0.0
O=C1N(Cc2ccc3ncoc3c2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccc2ncoc2c1,0.0
O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,0.0
CCN1c2ncc(CCc3ccc4ccccc4c3)cc2C(=O)N(C)c2ccc(F)nc21,0.0
O=C1Nc2ccc(Cl)c3c2[C@@](C(F)(F)F)(C=C(c2ccccc2)O3)N1,0.0
CCN1c2ncc(CCOc3ccc4cc(C(=O)[O-])ccc4c3)cc2C(=O)N(C)c2cccnc21,0.0
CCN1c2ncc(CCc3cccc(N)c3)cc2C(=O)N(C)c2ccc(Cl)nc21,0.0
CCN1c2ncccc2C(=O)N(C)c2ccc(-c3c[nH]c4ccccc34)nc21,0.0
CCN1c2ncc(CCc3ccccc3)cc2C(=O)N(C)c2ccc(C3=CCC=N3)nc21,0.0
CCc1c([O-])nc(SCC(=O)c2ccc(OC)cc2)nc1Cc1cccc2ccccc12,0.0
CCN1c2ncccc2C(=O)N(C)c2ccc(-c3c[nH]c4ncccc34)nc21,0.0
COc1ccc(C(=O)CSc2nc([O-])c(C(C)C)c(Cc3cccc4ccccc34)n2)cc1,0.0
CCN1c2ncc(CCc3cc[nH+]c(N)c3)cc2C(=O)N(C)c2ccc(Cl)nc21,0.0
CCN1c2ncccc2C(=O)Nc2c(COCc3ccccc3)cc(=O)[nH]c21,0.0
CCN1c2ncc(COc3cccc4[nH]ccc34)cc2C(=O)N(C)c2ccc(Cl)nc21,0.0
CCN1c2ncc(CCOc3ccc(C(=O)[O-])c4ccccc34)cc2C(=O)N(C)c2cccnc21,0.0
CCN1c2ncc(CS(=O)(=O)c3ccccc3)cc2C(=O)N(C)c2ccc(Cl)nc21,0.0
CCN1c2ncc(CCOc3ccc(C(=O)[O-])cc3C)cc2C(=O)N(C)c2ccc(C)nc21,0.0
CCN1c2ncc(CSc3ncnc4n[nH]cc34)cc2C(=O)N(C)c2ccc(Cl)nc21,0.0
CCN1c2ncccc2C(=O)N(C)c2ccc(-c3c[nH]c4c[nH+]ccc34)nc21,0.0
CCN1c2ncc(CCCc3ccccc3)cc2C(=O)N(C)c2cccnc21,0.0
CCN1c2ncccc2C(=O)N(C)c2ccc(-c3ccc(O)cc3)nc21,0.0
CCN1c2ncccc2C(=O)N(C)c2ccc(-c3c[nH]c4cc[nH+]cc34)nc21,0.0
CCN1c2ncc(N(C)C(=O)c3ccccc3)cc2C(=O)N(C)c2ccc(Cl)nc21,0.0
O=C(CC(=O)c1ccc(Cc2ccc(F)cc2)o1)c1nc[n-]n1,0.0
CCN1c2ncccc2C(=O)Nc2c(COc3ccccc3)cc(-c3cccc(OC)c3)nc21,0.0
CCN1c2ncc(NCc3ccccc3)cc2C(=O)N(C)c2ccc(Cl)nc21,0.0
O=C1Nc2ccc(Cl)c3c2[C@@](C(F)(F)F)(C=C(C2CC2)O3)N1,0.0
CCN1c2ncc(/C=C\c3ccccc3)cc2C(=O)N(C)c2cccnc21,0.0
O=C(OCCc1ccc(O)c(O)c1)c1cc(O)c(O)c(O)c1,0.0
CCN1c2ncc(CNc3ccccc3)cc2C(=O)N(C)c2ccc(Cl)nc21,0.0
CCN1c2ncc(COc3ccccc3)cc2C(=O)N(C)c2ccc(Cl)nc21,0.0
CCN1c2ncc(CSc3ccccc3)cc2C(=O)N(C)c2ccc(Cl)nc21,0.0
CCN1c2ncc(CCc3cccnc3)cc2C(=O)N(C)c2cccnc21,0.0
CCN1c2ncc(C[S@](=O)c3ccccc3)cc2C(=O)N(C)c2ccc(Cl)nc21,0.0
O=C1C[C@H](O)C[C@@H](C[C@@H]2c3ccc(F)cc3-c3cc(Cl)cc(Cl)c32)O1,0.0
O=C([O-])C[C@H](O)C[C@H](O)/C=C/c1c2c(nn1-c1ccc(F)cc1)[C@H](Cc1cccc3ccccc13)CCC2,0.0
CC(C)c1c(C(=O)NCc2cccc(-c3ccccc3F)c2)nc(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-],0.0
O=C([O-])C[C@H](O)C[C@H](O)/C=C/c1c2c(nn1-c1ccc(F)cc1)[C@H](Cc1ccc3ccccc3c1)CCC2,0.0
Cc1cc(C)c(/C=C/[C@@H]2C[C@@H](O)CC(=O)O2)c(/C=C/c2ccc(Cl)cc2)c1,0.0
O=C([O-])C[C@H](O)C[C@H](O)/C=C/c1c2c(nn1-c1ccc(F)cc1)[C@H](Cc1ccc(-c3ccccc3)cc1)CCC2,0.0
CCc1nc(-c2ccccc2)cc(-c2ccc(F)cc2)c1CC[C@@H]1C[C@@H](O)CC(=O)O1,0.0
CC(C)c1cc(-c2ccccc2)nc(-c2ccc(F)cc2)c1/C=C/[C@@H]1C[C@@H](O)CC(=O)O1,0.0
O=C1C[C@H](O)C[C@@H](/C=C/c2c(Cl)cc(Cl)cc2-c2ccc(F)cc2)O1,0.0
Cc1cc(C)c(CC[C@@H]2C[C@@H](O)CC(=O)O2)c(-c2ccc(F)c(C)c2)c1,0.0
CC(C)c1c(C(=O)OCc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1,0.0
CC[C@H](C)C(=O)O[C@H]1C[C@@H](/C=C/Cc2ccccc2)C[C@@H]2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12,0.0
O=C1C[C@H](O)C[C@@H](CCc2c(Cl)cc(Cl)c3ccc(Cl)cc23)O1,0.0
O=C1C[C@H](O)C[C@@H](/C=C/c2c(Cl)cc(Cl)cc2OCCc2ccccc2)O1,0.0
C[C@H]1C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]2[C@@H](OC(=O)Cc2ccccc2)C1,0.0
CC(C)c1nc(-c2ccc(F)cc2)cc(-c2ccc(F)cc2)c1/C=C/[C@@H]1C[C@@H](O)CC(=O)O1,0.0
C[C@H]1C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]2[C@@H](OC(=O)Oc2ccccc2)C1,0.0
CC(C)c1nc(C2CCCCC2)cc(-c2ccc(F)cc2)c1/C=C/[C@@H]1C[C@@H](O)CC(=O)O1,0.0
CCc1c(C(=O)NCc2ccc(-c3ccccc3)cc2)c2c(n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-])CCCCC2,0.0
O=C1C[C@H](O)C[C@@H](/C=C/c2c(Cl)cc(Cl)cc2CCc2ccccc2)O1,0.0
O=C1C[C@H](O)C[C@@H](/C=C/c2c(Cl)cc(OCc3ccccc3)cc2Cl)O1,0.0
CC(C)c1c(C(=O)NCc2ccc(-c3ccccc3)cc2)nc(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-],0.0
CC(C)c1c(C(=O)NCc2ccccc2)nc(-c2ccc(F)c(F)c2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-],0.0
CC(C)c1nc(C2CCCCC2)nc(-c2ccc(F)cc2)c1/C=C/[C@@H]1C[C@@H](O)CC(=O)O1,0.0
O=C([O-])C[C@H](O)C[C@H](O)/C=C/c1c2c(nn1-c1ccc(F)cc1)[C@H](C/C=C/c1ccccc1)CCC2,0.0
O=C1C[C@H](O)C[C@@H](/C=C/c2c(Cl)cc(Cl)cc2OCc2ccc(F)cc2)O1,0.0
CC(C)n1c(C(=O)NCc2cccc(F)c2)nc(-c2ccc(F)cc2)c1CC[C@@H](O)C[C@@H](O)CC(=O)[O-],0.0
O=C([O-])C[C@H](O)C[C@H](O)/C=C/c1c2c(nn1-c1ccc(F)cc1)[C@H](CCc1ccccc1)CCC2,0.0
CC(C)c1nc(-c2ccccc2)cc(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-],0.0
CCc1c(C(=O)Nc2ccccc2)c(C(C)C)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-],0.0
O=C([O-])C[C@H](O)C[C@H](O)/C=C/c1c2c(nn1-c1ccc(F)cc1)[C@H](CCCc1ccccc1)CCC2,0.0
C=CCOc1cc(Cl)cc(Cl)c1/C=C/[C@@H]1C[C@@H](O)CC(=O)O1,0.0
Cn1nnnc1C(/C=C/[C@@H]1C[C@@H](O)CC(=O)O1)=C(c1ccc(F)cc1)c1ccc(F)cc1,0.0
Cc1ccc(-c2ccc(C(C)C)c(OC[C@@H](O)C[C@@H](O)CC(=O)[O-])c2-c2ccc(F)cc2)cc1,0.0
CC(C)c1cc(-c2ccccc2)nc(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-],0.0
CC(C)c1nc(-c2ccc(F)cc2)nc(-c2ccc(F)cc2)c1/C=C/[C@@H]1C[C@@H](O)CC(=O)O1,0.0
CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])c(-c2ccc(F)cc2)c2c1C(=O)N(c1ccccc1)CCC2,0.0
O=C1C[C@H](O)C[C@@H](CCc2c(Cl)cc(Cl)cc2Oc2ccccc2)O1,0.0
O=C1C[C@H](O)C[C@@H](CCc2c(Cl)cc(Cl)cc2OCc2ccc(F)cc2)O1,0.0
CCc1cc(-c2n[nH]c(C(=O)[O-])c2-c2ccc3c(c2)OCO3)c(O)cc1O,0.0
COc1ccc(-c2c(-c3cc(Cl)c(O)cc3O)n[nH]c2C(=O)NC(C)C)cc1,0.0
COc1ccc(-c2c(C)n[nH]c2-c2cc(Cl)c(O)cc2O)cc1,0.0
CNC(=O)c1[nH]nc(-c2cc(Cl)c(O)cc2O)c1-c1ccc(OC)cc1,0.0
CCc1cc(-c2n[nH]c(C)c2-c2ccc3c(c2)OCCO3)c(O)cc1O,0.0
CCNC(=O)c1[nH]nc(-c2cc(Cl)c(O)cc2O)c1-c1ccc(OC)cc1,0.0
COc1ccc(-c2c(-c3cc(Cl)c(O)cc3O)n[nH]c2C(=O)[O-])cc1,0.0
COc1ccc(-c2c(-c3cc(Cl)c(O)cc3O)n[nH]c2C(N)=O)cc1,0.0
CCNC(=O)c1[nH]nc(-c2cc(Br)c(O)cc2O)c1-c1ccc(OC)cc1,0.0
Cc1[nH]nc(-c2cc(Cl)c(O)cc2O)c1-c1ccc2c(c1)OCCO2,0.0
C[NH+]1CCN(c2ccc3onc(-c4cc(Cl)c(O)cc4O)c3c2)CC1,0.0
COc1ccc(-c2snnc2-c2cc(Cl)c(O)cc2O)cc1,0.0
Oc1ccc2c(-c3cc(Cl)c(O)cc3O)noc2c1,0.0
Oc1ccc2c(-c3cc(Br)c(O)cc3O)noc2c1,0.0
O=S(=O)([N-]c1ccc(O)c(-c2c(O)ccc3ccccc23)c1)c1cc(Cl)ccc1Cl,0.0
NS(=O)(=O)c1ccc(CNC(=O)c2c[nH]nc2-c2cc(Cl)c(O)cc2O)cc1,0.0
CCOc1ccc(-c2snnc2-c2cc(Cl)c(O)cc2O)cc1,0.0
C=CCNc1c(O)cc2nc3oc2c1C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@H](OC(N)=O)[C@@H](OC)/C=C\C=C\3C,0.0
Nc1ncnc2c1nc(Sc1cc3c(cc1Br)OCO3)n2CCCc1cn(CCCO)nn1,0.0
Oc1cc(O)c(-c2noc3ccc(NCCN4CCOCC4)cc23)cc1Br,0.0
Nc1ncnc2c1nc(Sc1nc3cccc(Cl)c3s1)n2CCN1CCOCC1,0.0
CS(=O)(=O)c1ccc(CN2CCN(c3c[nH]nc3-c3cc(Cl)c(O)cc3O)CC2)cc1,0.0
Oc1cc(O)c(-c2n[nH]cc2N2CCN(Cc3ccccc3)CC2)cc1Cl,0.0
Nc1ncnc2c1nc(Sc1nc3cccc(Cl)c3s1)n2CCCCO,0.0
COc1ccc(-c2snnc2-c2cc(Cl)c(O)cc2O)cc1OC,0.0
C#CCCCn1c(Sc2cccc(OC)c2)nc2c(N)ncnc21,0.0
CCCCn1c(Sc2nc3cccc(C)c3s2)nc2c(N)ncnc21,0.0
CCOc1ccc(-c2snnc2-c2cc(CC)c(O)cc2O)cc1,0.0
Nc1ncnc2c1nc(Sc1nc3cccc(Cl)c3s1)n2CC[NH2+]C1CC1,0.0
CCCCCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc21,0.0
CCCCn1c(Sc2nc3cccc(OC)c3s2)nc2c(N)ncnc21,0.0
Nc1ncnc2c1nc(Sc1nc3cccc(Cl)c3s1)n2CCCO,0.0
CCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc21,0.0
CCCCn1c(Sc2nc3cccc(Br)c3s2)nc2c(N)ncnc21,0.0
CCCCn1c(Sc2nc3cncc(Br)c3s2)nc2c(N)ncnc21,0.0
CO[C@H]1/C=C\C=C(/C)C(=O)Nc2ccc(O)c(c2)C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O,0.0
Nc1ncnc2c1nc(Sc1nc3cccc(Cl)c3s1)n2CCO,0.0
CC(C)[NH2+]CCCn1c(Sc2cc3c(cc2I)OCO3)nc2c(N)ncnc21,0.0
Cc1csc(Nc2ncnc3ccc(Oc4ccccc4F)cc23)n1,0.0
Cc1csc(NC(=O)c2cc(Oc3ccccc3)cc(Oc3cccc(S(C)(=O)=O)c3)c2)n1,0.0
Cc1csc(Nc2ncnc3ccc(Oc4ccc(F)cc4)cc23)n1,0.0
Cc1cnc(Nc2ncnc3ccc(Oc4c(F)cccc4S(C)(=O)=O)cc23)cn1,0.0
CS(=O)(=O)c1cccc(F)c1Oc1ccc2ncnc(Nc3cccn[nH+]3)c2c1,0.0
O=C([O-])c1ccc(NC(=O)c2cc(OCc3ccccc3F)cc(OCc3ccccc3F)c2)nc1,0.0
Cn1ccc(Nc2ncnc3ccc(Oc4c(F)cccc4F)cc23)n1,0.0
CS(=O)(=O)c1cccc(F)c1Oc1ccc2ncnc(Nc3ccccn3)c2c1,0.0
Cn1ccc(Nc2ncnc3ccc(Oc4ncccc4CO)cc23)n1,0.0
Cn1ccc(Nc2ncnc3ccc(Oc4ncccc4F)cc23)n1,0.0
CS(=O)(=O)c1ccc(Oc2cc(OC3CCCC3)cc(C(=O)Nc3nccs3)c2)cc1,0.0
Cc1csc(NC(=O)c2cc(Oc3ccccc3)cc(Oc3ccc(S(C)(=O)=O)cc3)c2)n1,0.0
CS(=O)(=O)c1ccc(Oc2cc(OC3CCOCC3)cc(C(=O)Nc3nccs3)c2)cc1,0.0
CC(=O)N1CCC[C@@H]1c1cc2[nH]c(-c3ccccn3)nc2cc1Oc1cccc(F)c1,0.0
Cc1csc(Nc2ncnc3ccc(Sc4nncn4C)cc23)n1,0.0
Cc1csc(NC(=O)c2cc(Oc3ccccc3)cc(Oc3ccccc3S(C)(=O)=O)c2)n1,0.0
CCS(=O)(=O)c1ccc(Oc2cc3[nH]c(-c4ccccn4)nc3cc2Cc2nnnn2C)cc1,0.0
CC(C)Oc1cc(O[C@@H](C)c2ccccc2)cc(C(=O)Nc2ccc(C(=O)[O-])cn2)c1,0.0
O=C([O-])c1ccc(NC(=O)c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)nc1,0.0
CCS(=O)(=O)c1ccc(Oc2cc3[nH]c(-c4ccccn4)nc3cc2CN2C(=O)CCC2=O)cc1,0.0
O=C([O-])c1ccc(NC(=O)c2cccc(OCc3ccccc3Cl)c2)nc1,0.0
CCS(=O)(=O)c1ccc(Oc2cc3[nH]c(-c4ccccn4)nc3cc2CN2C(=O)COC2=O)cc1,0.0
CS(=O)(=O)c1cccc(F)c1Oc1ccc2ncnc(Nc3cnc(Cl)cn3)c2c1,0.0
CC(C)Oc1cc(OCc2ccccc2F)cc(C(=O)Nc2ccc(C(=O)[O-])cn2)c1,0.0
Cn1ccc(Nc2ncnc3ccc(Oc4ncccc4Cl)cc23)n1,0.0
Cc1nsc(Nc2ncnc3ccc(Oc4c(F)cccc4S(C)(=O)=O)cc23)n1,0.0
CC(C)Oc1cc(OCCc2ccccc2)cc(C(=O)Nc2ccc(C(=O)[O-])cn2)c1,0.0
CCS(=O)(=O)c1ccc(Oc2cc3[nH]c(-c4ccccn4)nc3cc2[C@@H]2CCCN2C(C)=O)cc1,0.0
Cn1ccc(Nc2ncnc3ccc(Oc4ncccc4Br)cc23)n1,0.0
CCS(=O)(=O)c1ccc(Oc2cc3[nH]c(-c4ccccn4)nc3cc2CN2CCCS2(=O)=O)cc1,0.0
CCS(=O)(=O)c1ccc(Oc2cc3[nH]c(-c4ccccn4)nc3cc2CN2CCN(C)C2=O)cc1,0.0
CS(=O)(=O)c1cccc(F)c1Oc1ccc2ncnc(Nc3cnccn3)c2c1,0.0
CCS(=O)(=O)c1ccc(Oc2cc3[nH]c(-c4ccccn4)nc3cc2CN2CCOCC2=O)cc1,0.0
CS(=O)(=O)c1ccc(Oc2cc(O[C@@H]3CCOC3)cc(C(=O)Nc3nccs3)c2)cc1,0.0
CCn1ccc(Nc2ncnc3ccc(Oc4c(F)cccc4S(C)(=O)=O)cc23)n1,0.0
Cc1csc(NC(=O)c2cc(Sc3ccccc3)ccc2N)n1,0.0
Cn1ccc(Nc2ncnc3ccc(Oc4c(F)cccc4S(C)(=O)=O)cc23)n1,0.0
CCS(=O)(=O)c1ccc(Oc2cc3[nH]c(-c4ccccn4)nc3cc2CNC(C)=O)cc1,0.0
CCS(=O)(=O)c1ccc(Oc2cc3[nH]c(-c4ccccn4)nc3cc2CN2CCCC2=O)cc1,0.0
CCS(=O)(=O)c1ccc(Oc2cc3[nH]c(-c4ccccn4)nc3cc2CN2CCOC2=O)cc1,0.0
CC(C)Oc1cc(O[C@@H](C)Cc2ccccc2)cc(C(=O)Nc2ccc(C(=O)[O-])cn2)c1,0.0
CC(C)Oc1cc(OCc2ccccc2)cc(C(=O)Nc2ccc(C(=O)[O-])cn2)c1,0.0
CN1CC[NH+]([C@H]2C[C@H](c3c(-c4ncn5ccnc(N)c45)ccc4ccc(-c5ccccc5)nc43)C2)CC1,0.0
[NH3+]Cc1ccc(-c2cnc3[nH]cc(-c4cccc(NC(=O)Nc5ccccc5Oc5ccccc5)c4)c3c2)cc1,0.0
[NH3+]Cc1ccc(-c2cnc3[nH]cc(-c4cccc(NC(=O)Nc5cccc(Cl)c5)c4)c3c2)cc1,0.0
Nc1nccn2cnc(-c3ccc4ccc(-c5ccccc5)nc4c3[C@H]3C[C@H]([NH+]4CC4)C3)c12,0.0
Nc1ncnc2c1c(-c1ccc3nc(Cc4ccccc4Cl)[nH]c3c1)nn2[C@H]1CC[C@H](N2CCOCC2)CC1,0.0
Nc1ncnc2c1c(-c1ccc3nc(CCc4ccccc4)[nH]c3c1)nn2[C@H]1CC[C@H](N2CCOCC2)CC1,0.0
CN(C)C(=O)c1cccc(-c2cnc3[nH]cc(-c4cccc(NC(=O)Nc5ccccc5OCc5ccccc5)c4)c3c2)c1,0.0
COc1ccccc1Cc1nc2ccc(-c3nn([C@H]4CC[C@H](N5CC[NH+](CC6CC6)CC5)CC4)c4ncnc(N)c34)cc2[nH]1,0.0
C[C@]1([O-])C[C@@H](c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn32)C1,0.0
COc1ccccc1Cc1nc2ccc(-c3nn([C@H]4CC[C@H]([C@H]5CC[N@H+](C)CC5)CC4)c4ncnc(N)c34)cc2[nH]1,0.0
Cn1c(Cc2ccccc2)nc2cc(-c3nn([C@H]4CC[C@H](N5CCOCC5)CC4)c4ncnc(N)c34)ccc21,0.0
Nc1ncnc2c1c(-c1ccc3nc(-c4ccccc4)[nH]c3c1)nn2[C@H]1CC[C@H](N2CCOCC2)CC1,0.0
CN(C)C(=O)c1cccc(-c2cnc3[nH]cc(-c4cccc(NC(=O)Nc5cccc(Oc6ccccc6)c5)c4)c3c2)c1,0.0
Nc1nccn2c1c(-c1ccc3ccc(-c4ccccc4)nc3c1)nc2[C@H]1C[C@H](N2CCOCC2)C1,0.0
O=C(Nc1ccccc1)Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)c1,0.0
O=C(Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3ccc4c(c3)CC[NH2+]C4)n2)c1)c1c(F)cccc1F,0.0
Cc1cc(C2=[NH+]CCCN2)cc2[nH]c(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)nc12,0.0
C[NH+]1CCN([C@H]2C[C@H](c3nc(-c4ccc5ccc(-c6ccccc6)nc5c4)c4c(N)nccn43)C2)CC1,0.0
O=C(Cc1ccccc1)Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3ccc4c(c3)CC[NH2+]C4)n2)c1,0.0
Nc1nccn2c1c(-c1ccc3ccc(-c4ccccc4)nc3c1)nc2[C@H]1C[C@H]([NH+]2CCSCC2)C1,0.0
Nc1nccn2c1c(-c1ccc3ccc(-c4ccccc4)nc3c1)nc2[C@H]1C[C@H](CN2CCOCC2)C1,0.0
Nc1nccn2c1c(-c1ccc3ccc(-c4ccccc4)nc3c1)nc2[C@H]1C[C@H]([NH+]2CCC2)C1,0.0
Nc1nccn2c1c(-c1ccc3ccc(-c4ccccc4)nc3c1)nc2[C@H]1C[C@H]([NH+]2CCCC2)C1,0.0
Cc1cc(C2=[NH+]C(C)(C)CN2)cc2[nH]c(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)nc12,0.0
Cc1c[nH+]c(-c2cc(C)c3nc(-c4c(NC[C@@H](O)c5cccc(Cl)c5)cc[nH]c4=O)[nH]c3c2)[nH]1,0.0
O=C(Cc1ccccc1)Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)c1,0.0
Cc1cc(N2CCC3(CC2)OCCO3)cc2[nH]c(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)nc12,0.0
CN(C)C(=O)c1cccc(-c2cnc3[nH]cc(-c4cccc(NC(=O)Nc5ccccc5-c5ccccc5)c4)c3c2)c1,0.0
C[NH+](C)CCc1ccc(Nc2nccc(-c3c(-c4cccc(NC(=O)c5c(F)cccc5F)c4)nc4sccn34)n2)cc1,0.0
Cc1cc(N2CC[C@H]([NH3+])C2)cc2[nH]c(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)nc12,0.0
O=C(Nc1c(F)cccc1F)c1cccc(-c2nc3ccccn3c2-c2ccnc(Nc3cccc(F)c3)n2)c1,0.0
O=C(Cc1ccccc1)Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)c1,0.0
O=C(Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)c1)Oc1ccccc1,0.0
Nc1ncnc2c1c(-c1ccc3nc(Cc4cccs4)[nH]c3c1)nn2[C@H]1CC[C@H](N2CCOCC2)CC1,0.0
Cc1cc(C(=O)NC2CC2)cc2[nH]c(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)nc12,0.0
COc1ccccc1Cc1nc2ccc(-c3nn([C@H]4CC[C@H](N5CC[NH2+]CC5)CC4)c4ncnc(N)c34)cc2[nH]1,0.0
C[NH+](C)CCc1cccc(Nc2nccc(-c3c(-c4cccc(NC(=O)Cc5ccccc5)c4)nc4sccn34)n2)c1,0.0
O=C(Nc1cccc(-c2c[nH]c3ncc(-c4ccoc4)cc23)c1)Nc1ccccc1Oc1ccccc1,0.0
Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)nc12,0.0
Nc1ncnc2c1c(-c1ccc3nc(Cc4ccsc4)[nH]c3c1)nn2[C@H]1CC[C@H](N2CCOCC2)CC1,0.0
Nc1nccn2c1c(-c1cccc(OCc3ccccc3)c1)nc2[C@H]1CC[C@H](C[NH+]2CCCC2)CC1,0.0
Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2[C@H]1C[C@H]([NH+]2CCCC2)C1,0.0
O=C(c1ccccc1)N1CCN(C2c3ccccc3-c3ccccc32)CC1,0.0
CN(Cc1c2ccccc2cc2ccccc12)C(=O)[C@@H]1CC(=O)N(C2CCCCCC2)C1,0.0
CN(Cc1c2ccccc2cc2ccccc12)C(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1,0.0
CN(Cc1c2ccccc2cc2ccccc12)C(=O)[C@@H]1CC(=O)N(C2CCCCCCC2)C1,0.0
O=C(Nc1cccc(-c2ccccc2)c1)[C@@H]1CC(=O)N([C@@H]2C[C@@H]3CC[C@H]2C3)C1,0.0
O=C(Nc1cccc(-c2ccccc2)c1)[C@@H]1CC(=O)N(C2CCCCC2)C1,0.0
O=C(c1ccc2[nH]ccc2c1)N1CCN(C2c3ccccc3-c3ccccc32)CC1,0.0
O=C(Nc1cccc(Cc2ccccc2)c1)[C@@H]1CC(=O)N(C2CCCCC2)C1,0.0
CCCCCCc1ccc(Oc2cccc(NC(=O)c3ccno3)c2)c(O)c1,0.0
CCCCCCc1ccc(Oc2ccc(NC(=O)c3ccno3)cc2)c(O)c1,0.0
CCCCCCc1ccc(Oc2cccc([N+](=O)[O-])c2)c(O)c1,0.0
CCCCCCc1ccc(Oc2ccccc2[N+](=O)[O-])c(O)c1,0.0
O=C(Nc1cccc(Br)c1)[C@@H]1CC(=O)N(C2CCCCC2)C1,0.0
Cc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1,0.0
CCCCCCc1ccc(Oc2ccccc2CN2CC[NH+](C)CC2)c(O)c1,0.0
CCCCCCc1ccc(Oc2cccc(NC(C)=O)c2)c(O)c1,0.0
CCCCCCc1ccc(Oc2ccccc2NC(C)=O)c(O)c1,0.0
CCCCCCc1ccc(Oc2ccccc2NC(=O)C(=O)[O-])c(O)c1,0.0
CCCCCCc1ccc(Oc2ccccc2NC(=O)c2ccno2)c(O)c1,0.0
CCCCCCc1ccc(Oc2ccc([N+](=O)[O-])cc2)c(O)c1,0.0
CCCCCCc1ccc(Oc2ccc(CN3CC[NH+](C)CC3)cc2)c(O)c1,0.0
CCCCCCc1ccc(Oc2ccc(NC(=O)C(=O)[O-])cc2)c(O)c1,0.0
CCCCCCc1ccc(Oc2cccc(N)c2)c(O)c1,0.0
O=C(Nc1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1)[C@@H]1CC(=O)N(C2CCCCCC2)C1,0.0
CCCCCCc1ccc(Oc2cccc(NC(=O)C(=O)[O-])c2)c(O)c1,0.0
CCCCCCc1ccc(Oc2ccccc2N)c(O)c1,0.0
CCCCCCc1ccc(Oc2ccccc2)c(O)c1,0.0
CCCCCCc1ccc(Oc2ccc(N)cc2)c(O)c1,0.0
CCCCCCc1ccc(Oc2ccc(NC(C)=O)cc2)c(O)c1,0.0
CCCCCCc1ccc(Oc2nc(OC)cc(OC)n2)c(O)c1,0.0
O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CC(=O)N(C2CCCCC2)C1,0.0
CCCCCCc1ccc(Oc2cccnc2)c(O)c1,0.0
CCCCCCc1ccc(Oc2ccncc2)c(O)c1,0.0
CCCCCCc1ccc(Oc2ccccn2)c(O)c1,0.0
CCCCCCc1ccc(Oc2cnccn2)c(O)c1,0.0
CCCCCCc1ccc(Oc2ncccn2)c(O)c1,0.0
CC(C)C[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(N)=O)CC[C@@H](C)N1C(=O)Cc1ccc2ncccc2c1,0.0
O=C(NC[C@H](NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1ccc(Cl)cc1)C2)C(=O)[O-])c1ccccc1,0.0
CC(C)C[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(N)=O)CC[C@@H](C)N1C(=O)Cc1ccccc1,0.0
O=C(/C=C/c1ccc(Sc2cccc(NC3CCC3)c2)c(C(F)(F)F)c1C(F)(F)F)N1CCOCC1,0.0
O=C(/C=C/c1ccc(Sc2cccc(OCc3ccccn3)c2)c(C(F)(F)F)c1C(F)(F)F)N1CCOCC1,0.0
O=C1[C@@H]2C[C@H](SCc3cccc(-c4ccc(Br)cc4)c3)CN2C(=O)N1c1cc(Cl)cc(Cl)c1,0.0
N#Cc1ccc(-c2cccc(C[NH2+][C@H]3C[C@H]4C(=O)N(c5cc(Cl)cc(Cl)c5)C(=O)N4C3)c2)cc1,0.0
CC(C)C[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(N)=O)CC[C@@H](C)N1C(=O)Cc1ccncc1,0.0
O=C1[C@@H]2C[C@H](OCc3cccc(-c4ccc(Br)cc4)c3)CN2C(=O)N1c1cc(Cl)cc(Cl)c1,0.0
CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCC(=O)N(c2ccc3ncccc3c2)[C@@H](CC(C)C)C1=O,0.0
O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1ccc(Cl)cc1)C2,0.0
C[C@]1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2nnnn21,0.0
CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCC(=O)N(Cc2cnc3ccccc3c2)[C@@H](CC(C)C)C1=O,0.0
CN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)[C@]12CN(Cc1ccc3ncccc3c1)C[C@H]2c1ccc(C#N)cc1,0.0
C[C@]1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2nncn21,0.0
O=C(N[C@@H](CNC(=O)C1CCCCC1)C(=O)[O-])c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1ccc(Cl)cc1)C2,0.0
O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])c1c(F)cccc1Cl,0.0
CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCC(=O)N(CCc2cnc3ccccc3c2)[C@@H](CC(C)C)C1=O,0.0
Nc1cccc(Sc2ccc(/C=C/C(=O)N3CCOCC3)c(C(F)(F)F)c2C(F)(F)F)c1,0.0
O=C(/C=C/c1ccc(Sc2cccc(OCc3ccccc3)c2)c(C(F)(F)F)c1C(F)(F)F)N1CCOCC1,0.0
CC(=O)N1CCCN(c2cc(-c3ccc(Sc4ccc5c(c4)OCCO5)c(C(F)(F)F)c3)cc[nH+]2)CC1,0.0
CN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)[C@]12CN(Cc1ccccc1)C[C@H]2c1ccc(C#N)cc1,0.0
CC(=O)N1CCN(c2cc(-c3ccc(Sc4ccccc4C(C)C)c(C(F)(F)F)c3)ncn2)CC1,0.0
CC(=O)N1CCN(C(=O)/C=C/c2ccc(Sc3cc4[nH]c(=O)[nH]c4cc3Cl)c(Cl)c2)CC1,0.0
CN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)[C@]12CN(C(=O)c1ccc3ncccc3c1)C[C@H]2c1ccc(C#N)cc1,0.0
COc1ccccc1Sc1ccc(/C=C/C(=O)N2CCC(C(=O)[O-])CC2)c(C(F)(F)F)c1C(F)(F)F,0.0
O=C([O-])C1CCN(C(=O)/C=C/c2ccc(Sc3ccc4c(c3)OCCO4)c3ccccc23)CC1,0.0
O=C(NC[C@H](NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1ccc3ccoc3c1)C2)C(=O)[O-])c1cccs1,0.0
CC(=O)OC(C)(C)/C=C/C(=O)[C@@](C)(O)[C@@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@H](C[C@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C,0.0
CC(=O)N1CCN(C(=O)/C=C/c2ccc(Sc3ccc4cc[nH]c4c3)c(Cl)c2)CC1,0.0
O=C(NC[C@H](NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1cc3ccccc3o1)C2)C(=O)[O-])c1cccs1,0.0
CC(=O)N1CCN(c2cc(-c3ccc(Sc4ccccc4C(C)C)c(C(F)(F)F)c3)cc[nH+]2)CC1,0.0
O=C(NC[C@H](NC(=O)c1c(Cl)cc(CC[C@H](O)c2cccc(O)c2)cc1Cl)C(=O)[O-])c1cccs1,0.0
O=C([O-])[C@@H]1CCCN(c2cc(-c3ccc(Sc4ccc5c(c4)OCCO5)c(C(F)(F)F)c3)cc[nH+]2)C1,0.0
CC(=O)N[C@@H]1CCN(c2cc(-c3ccc(Sc4ccc5c(c4)OCCO5)c(C(F)(F)F)c3)cc[nH+]2)C1,0.0
O=C(/C=C/c1ccc(Sc2cccc(NC3CCCCC3)c2)c(C(F)(F)F)c1C(F)(F)F)N1CCOCC1,0.0
O=C(/C=C/c1ccc(Sc2cccc(OCc3cccnc3)c2)c(C(F)(F)F)c1C(F)(F)F)N1CCOCC1,0.0
O=C(/C=C/c1ccc(Sc2cccc(OC3CCCCC3)c2)c(C(F)(F)F)c1C(F)(F)F)N1CCOCC1,0.0
CC(=O)NC[C@H](NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1ccc(Cl)cc1)C2)C(=O)[O-],0.0
O=C(/C=C/c1ccc(Sc2cccc(OCc3ccncc3)c2)c(C(F)(F)F)c1C(F)(F)F)N1CCOCC1,0.0
CC(=O)N1CCN(C(=O)/C=C/c2ccc(Sc3ccc4[nH]ccc4c3)c(Cl)c2)CC1,0.0
O=c1[nH]ccc2c3[nH]c(-c4c(F)cccc4Cl)nc3c3ccc(F)cc3c12,0.0
N#Cc1ccc2ncn(-c3ncc4[nH]c(=O)n([C@@H]5CCOc6c(F)cccc65)c4n3)c2c1,0.0
Oc1ccc(C2=Nc3ccccc3-c3ncnc4[nH]cc2c34)c(Cl)c1,0.0
Nc1nn2cccnc2c1-c1cc(N[C@@H]2CCc3ccccc32)ncn1,0.0
c1cc(-c2ccc3[nH]ccc3c2)nc(Nc2ccc(N3CCOCC3)cc2)n1,0.0
C[C@@H](Nc1cc(-c2c(N)nn3cccnc23)ncn1)c1ccc(F)cc1,0.0
Nc1[nH][nH+]c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc12,0.0
C[C@H](Nc1cc(-c2cnn(C)c2)nc(-n2c[nH+]c3ccncc32)n1)c1ccccc1,0.0
Cc1cc(-c2cccc3nc(Nc4ccc(N5CC[NH+](C)CC5)cc4)oc23)ccc1C(=O)N1CCOCC1,0.0
C[C@H](Nc1cc(N2CC[NH+](C)CC2)nc(-n2c[nH+]c3ccncc32)n1)c1ccccc1,0.0
COc1cc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)ccc1O,0.0
N#Cc1ccc2ncn(-c3ncc4[nH]c(=O)n(Cc5c(F)cccc5F)c4n3)c2c1,0.0
C[C@H](Nc1nc(-n2c[nH+]c3ccncc32)nc2c1cc(/C([O-])=N/S(=O)(=O)c1ccccc1)n2C)c1ccccc1,0.0
O=C(NCc1ccco1)c1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1,0.0
CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(c2cc(-c3c(N)nn4cccnc34)ncn2)C1,0.0
C[C@H](Nc1cc(N2CC[C@@H](O)C2)nc(-n2c[nH+]c3ccncc32)n1)c1ccccc1,0.0
Nc1nn2cccnc2c1-c1cc(OCc2ccc(F)cc2)ncn1,0.0
C[C@H](Nc1nc(-n2c[nH+]c3ccncc32)nc2c1cc(C(=O)N1CCN(C)CC1)n2C)c1ccccc1,0.0
C[NH+]1CCN(c2ccc(Nc3nccc(-c4ccc(C(=O)NCC#N)cc4)n3)cc2)CC1,0.0
COc1ccc(-c2cc(N[C@@H](C)c3ccccc3)nc(-n3c[nH+]c4ccncc43)n2)cc1OC,0.0
C[C@H](Nc1nc(-n2c[nH+]c3ccncc32)nc2c1cc(C(=O)N1CCOCC1)n2C)c1ccccc1,0.0
C[C@H](Nc1cc(-c2ccoc2)nc(-n2cnc3ccc(C#N)cc32)n1)c1ccccc1,0.0
C[C@H](Nc1nc(-n2c[nH+]c3ccncc32)nc2c1cc(C(=O)NCCCN1CCOCC1)n2C)c1ccccc1,0.0
C[C@H](Nc1nc(-n2c[nH+]c3ccncc32)nc2c1cc(C(=O)NCCCn1cc[nH+]c1)n2C)c1ccccc1,0.0
COC(=O)C[C@H]1Nc2ccccc2-c2ccnc3[nH]cc1c23,0.0
N#CCNC(=O)c1ccc(-c2ccnc(Nc3ccc(N4CCSCC4)cc3)n2)cc1,0.0
C[C@H](Nc1ccnc(-n2c[nH+]c3ccncc32)n1)c1ccccc1,0.0
C[NH+](C)CCNC(=O)c1ccc(Nc2nccc(-c3cc4ccccc4s3)n2)cc1,0.0
N#CCNC(=O)c1ccc(-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)cc1,0.0
Cc1cc(Nc2cc(N3CC[NH+](C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)[nH]n1,0.0
CONC(=O)c1cc2c(N[C@@H](C)c3ccccc3)nc(-n3c[nH+]c4ccncc43)nc2n1C,0.0
C[C@@H](Nc1nccc(-n2c[nH+]c3ccncc32)n1)c1ccccc1,0.0
Nc1nn2cccnc2c1-c1cc(N2CCOCC2)ncn1,0.0
Clc1cnc2[nH]cc(-c3ccccc3)c2c1,0.0
C[C@H](Nc1ccnc(-n2cnc3cnccc32)n1)c1ccccc1,0.0
CC(C)[C@H]([NH3+])C(=O)N1CC(c2cc(F)ccc2F)=C[C@H]1c1cccc(O)c1,0.0
[NH3+][C@H](C(=O)N1CC(c2cc(F)ccc2F)=C[C@H]1c1cccc(O)c1)C1CC1,0.0
CC(C)(C)[C@H](O)C(=O)N1CC(c2cc(F)ccc2F)=C[C@H]1c1cccc(O)c1,0.0
CN(C(=O)N1CC(c2cc(F)ccc2F)=C[C@@H]1c1cccc(O)c1)C1CC[NH2+]CC1,0.0
[NH3+][C@H](C(=O)N1CC(c2cc(F)ccc2F)=C[C@H]1c1ccccc1)C1CC1,0.0
CN(C(=O)N1CC(c2cc(F)ccc2F)=C[C@H]1c1ccccc1)C1CC[NH2+]CC1,0.0
CC(=O)N1CCc2c([nH]c3ccc(C)cc23)[C@H]1c1c[nH]c2ccccc12,0.0
O=C(CC1CC[NH2+]CC1)N1CCc2c([nH]c3ccc(Cl)cc23)[C@H]1c1cccc(O)c1,0.0
CC(=O)N1CC[NH+](CCC[C@@]2(c3ccccc3)CC(c3cc(F)ccc3F)=NN2C(C)=O)CC1,0.0
CC(=O)N1CCC(N(C)C(=O)N2CC(c3cc(F)ccc3F)=C[C@H]2c2ccccc2)CC1,0.0
NC(=O)Nc1ccc(-c2ccc(C(F)(F)F)cc2)cc1F,0.0
NS(=O)(=O)Nc1ccc(-c2ccc3c(c2)OC(F)(F)C(F)(F)O3)cc1,0.0
CC(=O)C1=NN(c2cc(F)ccc2F)C[C@@]1(CCC[NH+]1CCN(C(C)=O)CC1)c1ccccc1,0.0
Cc1ccc2[nH]c3c(c2c1)CCN(C(=O)c1ccc(N)cc1)[C@@H]3c1cccc(O)c1,0.0
Cc1ccc2[nH]c3c(c2c1)CCN(C(=O)CC[NH+]1CCCCC1)[C@@H]3c1cccc(O)c1,0.0
FC(F)(F)c1ccc2c(c1)[nH]c1ccccc12,0.0
CC(C)(C)c1ccc2c(c1)[nH]c1ccccc12,0.0
Nc1ccc(C(=O)N2CCc3c([nH]c4ccc(Cl)cc34)[C@H]2c2cccc(O)c2)cc1,0.0
[NH3+]CCN(C[C@H]1CC[C@@H]2[C@H](O1)c1cc(C(F)(F)F)ccc1N[C@H]2c1ccccc1)c1ccccc1,0.0
CC(=O)C1=NN(c2cc(F)ccc2F)C[C@@]1(CCC[NH+]1CCCC1)c1ccccc1,0.0
NS(=O)(=O)Nc1ccc(-c2ccc3c(c2)OC(F)(F)O3)cc1,0.0
CCNC(=O)N1N=C(c2cc(F)ccc2F)C[C@@]1(CCCCNC(=O)c1ccccc1)c1ccccc1,0.0
Cc1ccc2c(c1C)CN(C(=O)N(C)C)C[C@@H]2c1cccc(O)c1,0.0
FC(F)(F)c1ccc2c(c1)[C@H]1O[C@@H](Cn3cncn3)CC[C@H]1[C@H](c1ccccc1)N2,0.0
CC1(C)Oc2ccc(-c3ccc(NS(N)(=O)=O)cc3)cc2O1,0.0
CC(=O)C1=NN(c2cc(C)ccc2F)C[C@@]1(CCC[NH+](C)C)c1ccccc1,0.0
NS(=O)(=O)Nc1ccc(-c2ccc(C(F)(F)F)cc2)cc1F,0.0
NS(=O)(=O)Nc1ccc(-c2ccc(C(F)(F)F)cc2)cc1,0.0
CC(=O)C1=NN(c2cc(F)ccc2F)C[C@@]1(CCCN1CCOCC1)c1ccccc1,0.0
CC(=O)C1=NN(c2cc(F)ccc2F)C[C@@]1(CCCN1CC(F)C1)c1ccccc1,0.0
CC(=O)C1=NN(c2cc(F)ccc2F)C[C@@]1(CCC[NH+](C)C)c1ccccc1,0.0
C[NH2+]C[C@H]1CC[C@@H]2[C@H](O1)c1cc(C3CC3)ccc1N[C@H]2c1ccccc1,0.0
[NH3+]CCC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)[C@H]1c1c[nH]c2ccccc12,0.0
CC(C)(C)c1ccc2c(c1)[C@H]1OCCC[C@H]1[C@H](c1cccs1)N2,0.0
CC(=O)N1N=C(c2cc(F)ccc2F)C[C@@]1(CCC[NH+](C)C)c1ccccc1,0.0
Cc1ccc2[nH]c3c(c2c1)CCN(C(=O)[C@@H]1CCC[N@@H+](C)C1)[C@@H]3c1cccc(O)c1,0.0
CC(=O)N1N=C(c2cc(F)ccc2F)C[C@@]1(CCCN1C[C@H]2C[C@@H]1CO2)c1ccccc1,0.0
CCNC(=O)N1N=C(c2cc(F)ccc2F)C[C@@]1(CCCCNC(=O)c1ccccn1)c1ccccc1,0.0
CC(=O)N1N=C(c2cc(F)ccc2F)C[C@@]1(CCCN1CCC(F)(F)C1)c1ccccc1,0.0
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1ncccc1-c1ccncn1,0.0
O=C(Nc1cc(Oc2cccc3[nH]c(=O)[nH]c23)c(F)c(F)c1F)c1cccc(OC(F)(F)F)c1,0.0
O=C(Nc1ccc(-c2ccccc2)cc1)Nc1ccc2c(c1)NC(=O)/C2=C\c1ccc[nH]1,0.0
Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1N1Cc2cnc(N)nc2N(C)C1=O,0.0
C[NH+](C)C[C@@H]1CCn2cc(c3ccccc32)C2=C(C(=O)NC2=O)c2cn(c3ccccc23)CCO1,0.0
O=C(Nc1ccc2c(c1)CCC2)Nc1cc(CNc2ccccc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)ccn1,0.0
Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1,0.0
CC(C)OCc1ccc2c(c1)c1c3c(c4c(c1n2CCCO)Cc1ccccc1-4)C(=O)NC3,0.0
Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH+][nH]c(N)c34)cc2)c1,0.0
Cc1cccc(NC(=O)N(Cc2ccc(-c3n[nH]c4c3Cc3cc(CN5CC[NH+](C)CC5)ccc3-4)s2)C2CC2)c1,0.0
Nc1ncc(NC(=O)c2c(Cl)ccc3c(Nc4cccc(C(F)(F)F)c4)noc23)cn1,0.0
Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21,0.0
C[NH+]1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1,0.0
Cc1cccc(NC(=O)Nc2ccc(-c3ccc(OCC[NH+]4CCCC4)c4[nH+][nH]c(N)c34)cc2)c1,0.0
Nc1ncnc2c1N=C(c1ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc1)CCN2,0.0
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)c1cncnc1,0.0
C[NH+]1CCN(Cc2ccc3c(c2)Cc2c(-c4ccc(CNC(=O)Nc5ccc(C(F)(F)F)cc5)s4)n[nH]c2-3)CC1,0.0
Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(-c3ccccc3F)nncc2c1,0.0
Oc1ccc(C[C@@]2(O)COc3c(ccc(O)c3O)[C@H]2O)cc1O,0.0
COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(F)cc4F)c(F)c3)c2cc1OC,0.0
COc1cc2[nH+]ccc(Oc3ccc(NC(=O)NCCC4CCCCC4)cc3)c2cc1OC,0.0
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1C(=O)Nc1cnc(N)nc1,0.0
COc1cc2[nH+]ccc(Oc3ccc(NC(=O)OCCC4CCCCC4)cc3)c2cc1OC,0.0
Cc1cccc(NC(=O)Nc2ccc(-c3ccc(CN4CC[NH+](C)CC4)c4[nH+][nH]c(N)c34)cc2)c1,0.0
COc1cc2[nH+]ccc(Oc3ccc(NC(=O)NC4CCCCC4)cc3)c2cc1OC,0.0
Cc1cccc(NC(=O)NCc2ccc(-c3n[nH]c4c3Cc3ccc(CN5CC[NH+](C)CC5)cc3-4)s2)c1,0.0
CC(=O)Nc1ccc(NC(=O)c2c(Cl)ccc3c(Nc4cccc(C(F)(F)F)c4)noc23)cn1,0.0
Cc1cccc(NC(=O)Nc2ccc(-c3c(CN4CCOCC4)sc4ncnc(N)c34)cc2)c1,0.0
C[NH+]1CCN(c2ccc(Nc3ncc4c(=O)c(C(N)=O)cn(-c5ccc6c(c5)CCC6)c4n3)cc2)CC1,0.0
O=C(Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1)c1cccn(-c2ccc(F)cc2)c1=O,0.0
O=C(Nc1ccccc1)Nc1cc(CNc2ccccc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)ccn1,0.0
Cc1cccc(NC(=O)Nc2ccc(-c3ccc(CN4CCOCC4)c4[nH+][nH]c(N)c34)cc2)c1,0.0
[NH3+][C@H](CNc1ncc(-c2ccc3c(c2)CC(=O)N3)s1)Cc1ccc(C(F)(F)F)cc1,0.0
Cc1ccc(Nc2nc(N(C)c3ccc4c(C)n(C)nc4c3)cc[nH+]2)cc1S(N)(=O)=O,0.0
O=C(NCc1ccccc1)Nc1cc(CNc2ccccc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)ccn1,0.0
Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4snc(N)c34)cc2)c1,0.0
CCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)C3c4ccccc4-c4ccccc43)O2)c(=O)[nH]c1=O,0.0
CCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)C3c4ccccc4CCc4ccccc43)O2)c(=O)[nH]c1=O,0.0
CCc1cn([C@@H]2O[C@H](CNC(=O)[C@@H]3c4ccccc4Oc4c(-c5ccccc5)cccc43)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O,0.0
CCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)C3c4ccccc4Cc4ccccc43)O2)c(=O)[nH]c1=O,0.0
CCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)Cc3ccccc3-c3ccccc3)O2)c(=O)[nH]c1=O,0.0
CCc1cn([C@@H]2O[C@H](CNC(=O)C3c4ccccc4S(=O)(=O)c4ccccc43)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O,0.0
CCc1cn([C@@H]2O[C@H](CNC(=O)[C@@H]3c4ccccc4Oc4c(OC)cccc43)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O,0.0
CCc1cn([C@@H]2O[C@H](CNC(=O)[C@@H]3c4ccccc4S(=O)(=O)c4c(Cl)cccc43)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O,0.0
CCc1cn([C@@H]2O[C@H](CNC(=O)C3c4ccccc4Oc4ccccc43)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O,0.0
CCc1cn([C@@H]2O[C@H](CNC(=O)[C@@H]3c4ccccc4Oc4c3cccc4C(F)(F)F)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O,0.0
CCc1cn([C@@H]2O[C@H](CNC(=O)[C@@H]3c4ccccc4Oc4c(C)cccc43)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O,0.0
CCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)C3c4ccccc4S(=O)(=O)c4ccccc43)O2)c(=O)[nH]c1=O,0.0
CCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)C3c4ccccc4N(C)c4ccccc43)O2)c(=O)[nH]c1=O,0.0
CCc1cn([C@@H]2O[C@H](CNC(=O)[C@@H]3c4ccccc4Oc4c(Cl)cccc43)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O,0.0
CCc1cn([C@@H]2O[C@H](CNC(=O)C3c4cccc(C)c4Oc4c(C)cccc43)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O,0.0
CCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)C3c4ccccc4Sc4ccccc43)O2)c(=O)[nH]c1=O,0.0
N#C[C@]1(c2ccccc2)CC[N@H+](CCCCn2cnc3c(=O)[nH]c(Nc4ccccc4)nc32)CC1,0.0
CCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)C3c4ccccc4Oc4ccccc43)O2)c(=O)[nH]c1=O,0.0
Cc1cn(Cc2ccccc2COC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O,0.0
CCc1cn([C@@H]2O[C@H](CNC(=O)[C@@H]3c4ccccc4Sc4c(Cl)cccc43)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O,0.0
CCc1cn([C@@H]2O[C@H](CNC(=O)C3c4ccccc4Sc4ccccc43)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O,0.0
O=c1[nH]c(Nc2ccccc2)nc2c1ncn2CCCCN1CCCc2ccccc21,0.0
O=c1[nH]c(Nc2cccc(C(F)(F)F)c2)nc2[nH]cnc12,0.0
CCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)Cc3ccccc3C)O2)c(=O)[nH]c1=O,0.0
CCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)Cc3ccccc3F)O2)c(=O)[nH]c1=O,0.0
CCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)Cc3ccccc3Cl)O2)c(=O)[nH]c1=O,0.0
CCc1cn([C@@H]2O[C@H](CNC(=O)C3c4ccccc4C(C)(C)c4ccccc43)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O,0.0
CCc1cn([C@@H]2O[C@H](CNC(=O)[C@H](C)Oc3cc(OC)c(Cl)cc3Cl)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O,0.0
O=c1[nH]c(Nc2ccccc2)nc2c1ncn2CCCC[N@H+]1CCCC[C@H]1c1ccccc1,0.0
O=c1[nH]c(Nc2ccccc2)nc2c1ncn2CCCC[N@@H+]1CCC[C@H]2CCCC[C@@H]21,0.0
CCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)Cc3ccccc3OC)O2)c(=O)[nH]c1=O,0.0
O=c1[nH]c(Nc2ccccc2)nc2c1ncn2[C@@H]1C[C@@H](O)[C@@H](CO)O1,0.0
Cc1cn(C/C=C\COC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O,0.0
CCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)Cc3ccccc3C(F)(F)F)O2)c(=O)[nH]c1=O,0.0
O=c1[nH]c(Nc2cccc(CC(F)(F)F)c2)nc2[nH]cnc12,0.0
O=c1[nH]c(Nc2cccc(Cl)c2)nc2[nH]cnc12,0.0
CCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)Cc3c(Cl)cccc3Cl)O2)c(=O)[nH]c1=O,0.0
CCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)Cc3c(C)cccc3C)O2)c(=O)[nH]c1=O,0.0
O=c1[nH]c(Oc2ccccc2)nc2c1ncn2CCCCO,0.0
O=c1[nH]c(Nc2ccccc2)nc2c1ncn2CCCCO,0.0
O=c1[nH]c(Nc2ccccc2)nc2c1ncn2CCCC[N@@H+]1CCCC[C@@H]1CCO,0.0
CCc1cn([C@H]2O[C@H](CO)[C@H](O)[C@@H]2F)c(=O)[nH]c1=O,0.0
O=c1[nH]c(=O)n([C@@H]2C[C@@H](O)[C@@H](CO)O2)cc1/C=C/Br,0.0
Cc1cn([C@H]2O[C@H](CO)[C@H](O)[C@@H]2F)c(=O)[nH]c1=O,0.0
O=C1NC(=O)c2c1c1c(c3[nH]c4ccccc4c23)CCc2ccccc2-1,0.0
O=C1NC(=O)C2=C1c1cn(c3ccccc13)CCOCCOCCOCCn1cc2c2ccccc21,0.0
CC[NH+]1CCOCCn2cc(c3ccccc32)C2=C(C(=O)NC2=O)c2cn(c3ccccc23)CCOCC1,0.0
O=C1NCc2c3c(c4[nH]c5ccccc5c4c21)CCc1ccccc1-3,0.0
CN1[C@H]2CC[C@@H]1n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4=O,0.0
O=C1NC(=O)C2=C1c1cn(c3ccccc13)CCO[C@H](C[NH+]1CCCC1)CCn1cc2c2ccccc21,0.0
O=C1NC(=O)C2=C1c1cn(c3ccccc13)CCOCCOCCOCCn1cc2c2cccnc21,0.0
O=C1NC(=O)c2c1c1c3ccccc3n3c1c1c2c2ccccc2n1CS(=O)C3,0.0
O=C1NC(=O)C2=C1c1cn(c3ccccc13)CCO[C@H](CN1CCOCC1)CCn1cc2c2ccccc21,0.0
O=C1NC(=O)C2=C1c1cn(c3ccccc13)CCO[C@H](C[NH2+]Cc1ccccc1)CCn1cc2c2ccccc21,0.0
O=C1NC(=O)c2c1c1c3ccccc3n3c1c1c2c2ccccc2n1COC3,0.0
C[NH+]1CCN(C[C@@H]2CCn3cc(c4ccccc43)C3=C(C(=O)NC3=O)c3cn(c4ccccc34)CCO2)CC1,0.0
O=C1NC(=O)c2c1c1c3ccccc3n3c1c1c2c2ccccc2n1CS(=O)(=O)C3,0.0
O=C(CCn1c2ccccc2c2c3c(c4c5ccccc5[nH]c4c21)C(=O)NC3)NCC[NH+]1CCCCC1,0.0
O=C1NC(=O)c2c1c1c3ccccc3n3c1c1c2c2ccccc2n1CSC3,0.0
O=C1NC(=O)c2c1c1c3ccccc3n3c1c1c2c2ccccc2n1[C@H]1COC[C@@H]3N1,0.0
C[N@@H+]1CCCn2cc(c3ccccc32)C2=C(C(=O)NC2=O)c2cn(c3ccccc23)CCOCCOCC1,0.0
C[NH+](C)C[C@@H]1CCn2cc(c3ccccc32)C2=C(C(=O)NC2=O)c2cn(c3ccccc23)CCO1,0.0
O=C1NCc2c1c1c3ccccc3n3c1c1c2c2ccccc2n1CS(=O)(=O)C3,0.0
O=C(CCn1c2ccccc2c2c3c(c4c5ccccc5[nH]c4c21)C(=O)NC3)NC[C@@H]1CCOC1,0.0
C[NH+]1CCN(CCCn2nc(C3=C(c4cn(-c5ccc6ccccc6c5)c5ccccc45)C(=O)NC3=O)c3ccccc32)CC1,0.0
O=C(CCn1c2ccccc2c2c3c(c4c5ccccc5[nH]c4c21)C(=O)NC3)NCCN1CCOCC1,0.0
O=C1NCc2c1c1c3ccccc3n3c1c1c2c2ccccc2n1CSC3,0.0
O=C(N[C@@H]1[C@@H]2C[C@@H]([C@H]3CCC[C@@H]32)[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)[O-])c(O)c1)c1ccc(O)cc1,0.0
C[N@@H+]1CCC[C@@H]1CCNC(=O)CCn1c2ccccc2c2c3c(c4c5ccccc5[nH]c4c21)C(=O)NC3,0.0
NC1=NC(=O)c2c1c1c3ccccc3n3c1c1c2c2ccccc2n1CSC3,0.0
O=C1NC(=O)c2c1c1c3ccccc3n3c1c1c2c2ccccc2n1[C@H]1CCC[C@@H]3N1,0.0
CN1CCn2cc(c3ccccc32)C2=C(C(=O)NC2=O)c2cn(c3ccccc23)CCOCC[N@@H+](C)CC1,0.0
CN1CCN(C)CCn2cc(c3ccccc32)C2=C(C(=O)NC2=O)c2cn(c3ccccc23)CC1,0.0
O=C1NC(=O)c2c1c1c3ccccc3n3c1c1c2c2ccccc2n1[C@@H]1COC[C@H]3S1(=O)=O,0.0
CN1CCn2cc(c3ccccc32)C2=C(C(=O)NC2=O)c2cn(c3ccccc23)CCN(C)CC[NH+](C)CC1,0.0
C[NH+](C)CCCn1nc(C2=C(c3cn(-c4cnc5ccccc5c4)c4ccccc34)C(=O)NC2=O)c2ccccc21,0.0
CC[N@@H+]1CCOCCn2cc(c3ccccc32)C2=C(C(=O)NC2=O)c2cn(c3ccccc23)CC[N@@H+](CC)CCOCC1,0.0
O=C(N[C@@H]1Cc2ccccc2[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)[O-])c(O)c1)c1ccc(O)cc1,0.0
Cc1cccc(C2=C(c3cn(C)c4ccccc34)C(=O)NC2=O)c1,0.0
O=C(O[C@@H]1CCC[C@@H]1Cc1ccc(O)cc1)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)[O-])c(O)c1,0.0
O=C(N[C@@H]1C[NH2+]C[C@@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)ccc3c2CCCC3)c(O)c1)c1ccc(O)cc1,0.0
O=C(N[C@@H]1CCC[C@H]1COC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)[O-])c(O)c1)c1ccc(O)cc1,0.0
CC1(C)O[C@@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)CNC4=O)C[C@@]1(O)CO,0.0
Cn1cc(C2=C(c3cn([C@H]4CC[N@H+](Cc5ccccc5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21,0.0
CN1CCOCC[N@H+](C)CCn2cc(c3ccccc32)C2=C(C(=O)NC2=O)c2cn(c3ccccc23)CC1,0.0
C[C@H](Nc1nccc(-n2cnc3cc(-c4ccncc4)ccc32)n1)[C@@H]1CN(C(=O)Nc2cccc3ccccc23)CCN1C,0.0
C[C@H](Nc1nccc(-n2cnc3cc(-c4ccnc(N)n4)ccc32)n1)[C@@H]1CN(C(=O)Nc2cccc3ccccc23)CCN1C,0.0
CNc1ncc2cc(-c3c(C)ccc4c(Nc5ccc6c(c5)NC(=O)C6(C)C)nccc34)ccc2n1,0.0
O=C(c1ccc2ccccc2c1)N1CCC[C@@H](CNc2nccc(-n3cnc4ccccc43)n2)C1,0.0
CN1CCN(C(=O)c2ccc3ccccc3c2)C[C@@H]1CNc1nccc(-n2cnc3ccccc32)n1,0.0
C[C@@H](Nc1nccc(-n2cnc3ccccc32)n1)[C@@H]1CCCN(C(=O)Nc2ccc3ccccc3c2)C1,0.0
C[C@@H](Nc1nccc(-n2cnc3ccccc32)n1)[C@@H]1CN(C(=O)Nc2ccc3ccccc3c2)CCN1C,0.0
O=C(c1ccc2ccccc2c1)N1CCO[C@@H](CNc2nccc(-n3cnc4ccccc43)n2)C1,0.0
Cc1cccc(C)c1OC(=O)N(c1cccc(-c2ccccc2)c1)c1ccnc(Nc2ccc(N3CC[NH+](C)CC3)cc2)n1,0.0
NC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)nn2c1Nc1ccc(OCc3ccccn3)cc1CC2,0.0
COc1cc(-c2nn([C@H]3CC[C@H](N4CC[NH+](C)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1ccccc1,0.0
COc1cc(-c2nn([C@H]3CC[N@H+](C4CCOCC4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C,0.0
CNc1ncc2cc(-c3c(C)ccc4c(Nc5cc(C(C)(C)C)nn5C)[nH+]ccc34)ccc2n1,0.0
C[NH+]1CCN([C@H]2CC[C@H](n3nc(-c4ccc(C(=O)c5ccccc5)cc4)c4c(N)ncnc43)CC2)CC1,0.0
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1ncccc1-c1ccncn1,0.0
COc1cc(-c2nn([C@H]3CC[C@H](N4CC[NH+](C)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2ccccc2o1,0.0
CNc1nccc(-c2cccnc2Oc2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2C)n1,0.0
COc1cc(-c2nn([C@H]3CC[C@H](N4CC[NH+](C)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2ccccc2[nH]1,0.0
CC1(C)CC(NC(=O)c2cccc(-c3cc4nccc(Nc5cccc(O)c5)n4n3)c2)CC(C)(C)N1O,0.0
COc1cc(-c2nn([C@H]3CC[N@H+](C4CCOCC4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1nc2ccccc2n1C,0.0
CC[N@H+]1CC[C@H](CNc2nccc(-c3cccnc3Oc3ccc(Nc4nc5ccccc5[nH]4)c4ccccc34)n2)CC1,0.0
C[C@H](Nc1nccc(-n2cnc3cc(-c4ccncc4)ccc32)n1)c1ccccc1,0.0
CNc1nccc(-c2cccnc2Oc2ccc(Nc3nc4cc(C(F)(F)F)ccc4[nH]3)c3ccccc23)n1,0.0
Cc1ccc(C(=O)Nc2cccc3cnccc23)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1,0.0
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2C)cc1-c1ccc2nc(Nc3ccccc3)ncc2c1,0.0
C[N@@H+]1CCC[C@@H]1CCNc1nccc(-c2cccnc2Oc2ccc(Nc3nc4ccccc4[nH]3)c3ccccc23)n1,0.0
Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1,0.0
Cc1cccc(NC(=O)c2ccc(C)c(Nc3nc4ccccc4n3-c3cc(NCCN4CC[NH+](C)CC4)ncn3)c2)c1,0.0
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1C(=O)Nc1cnc(Nc2ccc(N3CC[NH+](C)CC3)cc2)nc1,0.0
CNc1ncc2cc(-c3cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc3C)ccc2n1,0.0
C[NH+]1CCN([C@H]2CC[C@H](n3nc(-c4ccc(NCc5cc6ccccc6[nH]5)cc4)c4c(N)ncnc43)CC2)CC1,0.0
Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1N1Cc2cnc(N)nc2N(C)C1=O,0.0
COc1cc(-c2nn([C@H]3CC[C@H](N4CC[NH+](C)CC4)CC3)c3ncnc(N)c23)ccc1NCc1ccccc1,0.0
NC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)nn2c1Nc1cc(OCc3cccnc3)ccc1CC2,0.0
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1C#Cc1cnc2ccccc2n1,0.0
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1ccc2nc(NCCN3CCOCC3)ncc2c1,0.0
CCN1CCN(c2ccc3c(c2)ncn3-c2ccnc(N[C@@H](C)c3ccccc3)n2)C1=O,0.0
Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nc5ccccc5n4-c4cc(N)ncn4)c3)cc(C(F)(F)F)c2)cn1,0.0
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1C#Cc1cnc2ccccc2c1,0.0
COc1cc(-c2nn([C@H]3CC[C@H](N4CC[NH+](C)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)CCc1ccccc1,0.0
CNc1ncc2cc(-c3cc(C(=O)Nc4cc(C(F)(F)F)ccc4N4CCCCC4)ccc3C)ccc2n1,0.0
C[NH+]1CCN(c2ccc(-c3cnn4c(N)c(-c5cccc(O)c5)cnc34)cc2)CC1,0.0
O=C([O-])c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](Nc2ccc(Oc4ccc(-c5ccccc5)cc4)cc2)C3)cc1,0.0
O=C([O-])c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](Nc2ccc(Oc4ccc(-n5cccc5)cc4)cc2)C3)cc1,0.0
O=C([O-])c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](Nc2ccc(Oc4nc5ccccc5s4)cc2)C3)cc1,0.0
O=c1ccc2ncn(CCOc3ccc(Cc4ccccc4)cc3)c2[nH]1,0.0
CN(CC(=O)Nc1ccc(Oc2ccccc2)cc1)[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2)CC1,0.0
[O-][n+]1ccc2c(c1)ncn2CCOc1ccc(Cc2ccccc2)cc1,0.0
c1ccc(Cc2ccc(OCCn3cccc4ncnc3-4)cc2)cc1,0.0
C[N@H+](Cc1ccc(C(=O)[O-])cc1)[C@@H]1CCCN(CC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1,0.0
O=C([O-])c1ccc(CC[N@H+]2CC[C@H](Nc3ccc(Oc4ccc(-c5ncco5)cc4)cc3)CC2)cc1,0.0
O=C([O-])c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](Nc2ccc(Oc4ccccc4F)cc2)C3)cc1,0.0
O=C(C[N@@H+]1CCCN(Cc2ccc(C(=O)[O-])cc2)CC1)Nc1ccc(Oc2ccccc2)cc1,0.0
O=C([O-])c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](Nc2ccc(OCc4ccccc4)cc2)C3)cc1,0.0
O=C([O-])c1ccc(C[N@@H+]2CCC[C@@H](Nc3ccc(Oc4ccc(-c5ncco5)cc4)cc3)CC2)cc1,0.0
c1ccc(Cc2ccc(OCCn3c[nH+]c4ccncc43)cc2)cc1,0.0
O=C([O-])c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](Nc2ccc(Oc4ccc(-c5ncco5)cc4)cc2)C3)cc1,0.0
O=C([O-])c1ccc(CC[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](Nc2ccc(Oc4ccc(-c5ncco5)cc4)cc2)C3)cc1,0.0
CN(CC(=O)Nc1ccc(Oc2ccccc2)cc1)[C@H]1CC[N@H+](Cc2ccc(C(=O)[O-])cc2)CC1,0.0
O=C(C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])NO,0.0
O=C([O-])c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](Nc2ccc(Cc4ccccc4)cc2)C3)cc1,0.0
C[N@H+](Cc1ccc(C(=O)[O-])cc1)[C@H]1CC[C@H](Nc2ccc(Oc3ccc(-c4ncco4)cc3)cc2)CC1,0.0
O=C(CN1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(C(=O)[O-])cc1)Nc1ccc(Oc2ccccc2)cc1,0.0
c1ccc(Cc2ccc(OC[C@@H]3CN(Cc4ccccc4)CC[NH2+]3)cc2)cc1,0.0
O=C([O-])c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](Nc2ccc(Oc4ccc(-c5nccs5)cc4)cc2)C3)cc1,0.0
N#Cc1nccc2c1ncn2CCOc1ccc(Cc2ccccc2)cc1,0.0
c1ccc(Cc2ccc(OCCn3cnc4cncnc43)cc2)cc1,0.0
O=C(C[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)[O-])NO,0.0
c1ccc(Cc2ccc(OCCn3cncc4ncnc3-4)cc2)cc1,0.0
O=C([O-])c1ccc(C[N@H+]2CC[C@H](Nc3ccc(Oc4ccc(-c5ncco5)cc4)cc3)CC2)cc1,0.0
O[C@]1(c2ccccc2)CC[N@H+](CCOc2ccc(Oc3nc4ccccc4s3)cc2)CC1,0.0
c1ccc(Cc2ccc(OCCn3cnc4ncncc43)cc2)cc1,0.0
C[N@H+](Cc1ccc(C(=O)[O-])cc1)C1CCN(CC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1,0.0
O=C1CCCN1[C@H]1CC[N@H+](CCc2ccc(Oc3nc4ccccc4s3)cc2)CC1,0.0
N#Cc1ccc2c(ncn2CCOc2ccc(Cc3ccccc3)cc2)n1,0.0
O=C1CCCN1[C@H]1CC[N@H+](Cc2ccc(Oc3nc4ccccc4s3)cc2)CC1,0.0
c1ccc(Cc2ccc(OC[C@H]3CCC[NH2+]3)cc2)cc1,0.0
c1ccc(Cc2ccc(OCC[n+]3ccc4[nH]cnc4c3)cc2)cc1,0.0
CN(Cc1ccc(C(=O)[O-])cc1)C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(Oc2ccccc2)cc1,0.0
c1ccc(Cc2ccc(OCCn3cnc4ncnc-4c3)cc2)cc1,0.0
O=C([O-])c1ccc(C[N@@H+]2CC[C@@H](Nc3ccc(Oc4ccc(-c5ncco5)cc4)cc3)C2)cc1,0.0
c1ccc(-c2cccc(OCC[NH+]3CCCC3)c2)cc1,0.0
Nc1nn(-c2cccc(-c3cccc(O)c3)c2)cc1-c1ccc2c(c1)CCNC2=O,0.0
Nc1nn(-c2cccc(-c3ccc4c(c3)NC(=O)C4)c2)cc1-c1ccc2c(c1)CCNC2=O,0.0
Nc1nccc(Nc2cc(-c3ccc4ccccc4c3)c3[nH]ncc3c2)n1,0.0
C[C@H]1CNc2c(sc3ccc4nc(-c5ccccc5F)ccc4c23)C(=O)N1,0.0
COc1cccc(-c2cccc(-n3cc(-c4ccc5c(c4)CCNC5=O)c(N)n3)c2)c1,0.0
C[C@H]1CNc2c(sc3ccc4nc(-c5ccccc5)ccc4c23)C(=O)N1,0.0
Cn1ccc2ccc(-c3cccc(-n4cc(-c5ccc6c(c5)CCNC6=O)c(N)n4)c3)cc21,0.0
O=C(Nc1nc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2)cs1)c1ccc2cc3n(c2c1)C1(CCC1)CNC3=O,0.0
Cc1ccncc1-c1ccc2c(ccc3sc4c(c32)NC[C@H](C)NC4=O)n1,0.0
O=C1NCCc2[nH]c(-c3ccnc(-c4ccc5ccccc5c4)c3)cc21,0.0
C[C@H]1CNc2c(sc3ccc4nc(-c5cccnc5)ccc4c23)C(=O)N1,0.0
Nc1ncc2c(n1)c(-c1cc(-c3cc4ccccc4s3)c3[nH]ncc3c1)cn2CCC1CC[NH2+]CC1,0.0
C[C@H]1CNc2c(sc3ccc4oc(-c5ccccc5)cc4c23)C(=O)N1,0.0
CC1(C)CNC(=O)c2cc3ccc(C(=O)Nc4nc(C(=O)N[C@H]5CC[N@H+](Cc6ccccc6)CC5)cs4)cc3n21,0.0
C[C@@H]1CNC(=O)c2cc3ccc(C(=O)Nc4nc(C(=O)N[C@H]5CC[N@H+](Cc6ccccc6)CC5)cs4)cc3n21,0.0
Nc1nn(-c2cccc(-c3ccc4nc[nH]c4c3)c2)cc1-c1ccc2c(c1)CCNC2=O,0.0
O=C1NCCc2[nH]c(-c3ccnc(-c4cnc5ccccc5c4)c3)cc21,0.0
C[C@H]1CNc2c(sc3ccc4nc(-c5ccncc5)ccc4c23)C(=O)N1,0.0
O=C(NCCc1ccccc1)c1ccc(-c2cc(-c3cc4c([nH]3)CCNC4=O)ccn2)cc1,0.0
O=C(NC1CCCCC1)c1ccc(-c2cc(-c3cc4c([nH]3)CCNC4=O)ccn2)cc1,0.0
COc1ccc(-n2cc(-c3ccc4c(c3)C(=O)NCCO4)c(N)n2)cc1,0.0
O=C(NCc1ccccc1)c1ccc(-c2cc(-c3cc4c([nH]3)CCNC4=O)ccn2)cc1,0.0
COc1ccc(-n2cc(-c3ccc4c(c3)C(=O)NCC4)c(N)n2)cc1,0.0
O=C(NC1CCCC1)c1ccc(-c2cc(-c3cc4c([nH]3)CCNC4=O)ccn2)cc1,0.0
O=C(NC1CC1)c1ccc(-c2cc(-c3cc4c([nH]3)CCNC4=O)ccn2)cc1,0.0
Nc1ncc2c(n1)c(-c1cc(-c3cc4ccccc4s3)c3[nH]ncc3c1)cn2CC[NH3+],0.0
O=C([O-])c1ccc(-c2cc(-c3cc4c([nH]3)CCNC4=O)ccn2)cc1,0.0
CC(=O)/C1=C/Cn2c3ccccc3c3c4c(c5c6ccccc6n(c5c32)C1)C(=O)NC4=O,0.0
O=C1NCCc2[nH]c(-c3ccnc(/C=C/c4ccccc4)c3)cc21,0.0
C[NH+]1CCN(c2ccc(Nc3cc[nH+]c4ccc(-c5ccc(Cl)cc5)cc34)cc2)CC1,0.0
O=C1NCCc2[nH]c(-c3ccnc(-c4cc5ccccc5s4)c3)cc21,0.0
Nc1ncc2c(n1)c(-c1cc(-c3cc4ccccc4s3)c3[nH]ncc3c1)cn2CCC(=O)[O-],0.0
CN(Cc1ccccc1)C(=O)c1ccc(-c2cc(-c3cc4c([nH]3)CCNC4=O)ccn2)cc1,0.0
Nc1nccc(Nc2ccc3[nH]nc(-c4cc5ccccc5s4)c3c2)n1,0.0
Cc1ccc(C(=O)NC2CC2)cc1-c1cc2cnn(-c3ccc(F)cc3F)c2n(C)c1=O,0.0
Cc1ccc(C(=O)NC2CC2)cc1-c1cc2cnn(-c3c(F)cccc3F)c2n(C)c1=O,0.0
C[NH+](C)CCOc1ccc(/C=C/C2=C[C-](C3=NC4=NC=[NH+]C(=O)C4=C3)C=CN2)cc1,0.0
C[N@H+]1CC[C@H](NC(=O)c2csc(NC(=O)c3ccc4cc5n(c4c3)C3(CCC3)CNC5=O)n2)CC1,0.0
O=C1NCCc2[nH]c(-c3ccnc(-c4cccnc4)c3)cc21,0.0
C[C@@H]1CNC(=O)c2[nH]c3ccc(C(=O)Nc4nc(C(=O)N5CCC([NH+](C)C)CC5)cs4)cc3c21,0.0
Cc1cc(-c2ccc(F)c3cc[nH]c23)c(Cl)c2c1NC(C)(C)C[C@@H]2C,0.0
C/C=C1\C(=O)C[C@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C,0.0
Cc1cc(-c2cccc3cc[nH]c23)c(Cl)c2c1NC(C)(C)C[C@@H]2C,0.0
Cc1noc(=O)c2ccc(NC(=O)[C@](O)(CC(C)(C)c3cc(F)ccc3O)C(F)(F)F)cc12,0.0
COc1ccccc1C1CCN(c2[nH]c(=O)[nH]c(=O)c2Cc2ccccc2)CC1,0.0
Cc1noc(=O)c2ccc(NC(=O)[C@](O)(CC(C)(C)c3cccc4c3OCC4)C(F)(F)F)cc12,0.0
O=c1[nH]c(N2CCC(c3cccc(Cl)c3)CC2)c(Cc2ccccc2)c(=O)[nH]1,0.0
N#Cc1ccc(N2N=C3c4ccc(C(=O)[O-])cc4CC[C@@H]3[C@@H]2C2CCCC2)cc1OCc1ccccc1,0.0
CC(C)(C[C@](O)(Cc1ccccc1)C(=O)Nc1ccc2c(c1)COC2=O)c1ccccc1,0.0
COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1c(C)ccc2ccccc12)C(F)(F)F,0.0
Cc1cc(N2N=C3c4ccc(C(=O)[O-])cc4CC[C@@H]3[C@@H]2C2CCCC2)ccc1C#N,0.0
N#Cc1ccc(N2N=C3c4ccc(C(=O)[O-])cc4CC[C@@H]3[C@@H]2C2CC=CC2)cc1Cl,0.0
C/C=C1/C(=O)C[C@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C,0.0
N#Cc1ccc(N2N=C3c4ccc(C(=O)[O-])cc4CC[C@@H]3[C@@H]2c2ccc(F)cc2)cc1Cl,0.0
N#Cc1ccc(N2N=C3c4ccc(C(=O)[O-])cc4CC[C@@H]3[C@@H]2[C@@H]2CCCO2)cc1Cl,0.0
Cn1c(C#N)ccc1-c1ccc2c(c1)[C@](C)(c1ccco1)OCC(=O)N2,0.0
N#Cc1ccc(N2N=C3c4ccc(C(=O)[O-])cc4CC[C@@H]3[C@@H]2C2CCC2)cc1Cl,0.0
COc1cc(N2N=C3c4ccc(C(=O)[O-])cc4CC[C@@H]3[C@@H]2C2CCCC2)ccc1C#N,0.0
COc1ccc(F)cc1C(C)(C)C[C@@](O)(C(=O)Nc1ccc2c(=O)onc(C)c2c1)C(F)(F)F,0.0
Cc1cc(C)c(S(=O)(=O)N[C@H](C)Cc2c[nH]c3ccccc23)c(C)c1,0.0
CC1(C)CCC[C@]2(C)c3cc4c(C(F)(F)F)cc(=O)[nH]c4cc3N[C@H]12,0.0
CC(C)(C[C@](O)(C(=O)Nc1ccc2c(c1)COC2=O)C(F)(F)F)c1cc(F)ccc1O,0.0
CC(C)(C[C@@](C)(O)C(=O)Nc1ccc2c(c1)COC2=O)c1ccccc1,0.0
CC(C)(C[C@](O)(CC1CCCCC1)C(=O)Nc1ccc2c(c1)COC2=O)c1cc(F)ccc1O,0.0
CC(C)(C[C@](O)(Cn1ccc(=O)c2ccccc21)C(F)(F)F)c1cccc2c1OCC2,0.0
COc1ccc(F)cc1C(C)(C)C[C@@](O)(CNc1ccc2c(c1)COC2=O)Cc1ccccc1,0.0
Cc1cc(N2N=C3c4ccc(C(=O)[O-])cc4CO[C@H]3[C@H]2C2CCCC2)ccc1C#N,0.0
N#Cc1ccc(N2N=C3c4ccc(C(=O)[O-])cc4CC[C@H]3[C@H]2c2ccc(F)cc2)cc1Cl,0.0
COc1ccc(C)c(C(C)(C)C[C@](O)(Cn2ccc(=O)c3ccccc32)C(F)(F)F)c1,0.0
COc1ccc(F)cc1C(C)(C)C[C@](O)(Cc1ccc(C#N)c2ccccc12)C(F)(F)F,0.0
CC(C)[C@@H]1CC(c2ccc(C(=O)[O-])cc2)=NN1c1ccc(C#N)c(Cl)c1,0.0
COc1ccc(F)cc1C(C)(C)C[C@@](O)(CN1C[C@@H](C)C(=O)[C@@H](C)C1)C(F)(F)F,0.0
Cc1noc(=O)c2ccc(NC(=O)[C@](O)(Cc3ccccc3)CC(C)(C)c3cc(F)ccc3O)cc12,0.0
COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1cccc(C)c1F)O2)C(C)=CC(C)(C)N3,0.0
Cc1cc(N2N=C3c4ccc(C(=O)[O-])cc4CO[C@@H]3[C@@H]2C2CCCC2)ccc1C#N,0.0
COc1cccc2c1-c1ccc3c(c1[C@@H](c1cccc(C(F)(F)F)c1)O2)C(C)=CC(C)(C)N3,0.0
COc1c(O)ccc2c1C1=C(/C(=C/c3cccc(O)c3)O2)[C@@H]2C(C)=CC(C)(C)N[C@H]2C=C1,0.0
N#Cc1ccc(N2N=C3c4ccc(C(=O)[O-])cc4CO[C@@H]3[C@@H]2c2ccc(F)cc2)cc1Cl,0.0
COc1ccc(F)cc1C(C)(C)C[C@](O)(CN1CCC(=O)c2ccccc21)C(F)(F)F,0.0
CC(C)(C)c1ccc(C[C@](O)(CC(C)(C)c2ccccc2)C(=O)Nc2ccc3c(c2)COC3=O)cc1,0.0
N#Cc1ccc(N2N=C(c3ccc(C(=O)[O-])cc3)C[C@H]2c2ccc(F)cc2)cc1Cl,0.0
CC1=CC(C)(C)Nc2ccc3c(c21)[C@@H](c1ccccc1)Oc1ccccc1-3,0.0
CC(=O)c1cccc(-c2cc3nccc(Oc4ccc(NC(=O)N5CCN(c6ccccc6)C5=O)cc4F)c3s2)c1,0.0
O=C(Cc1ccc(F)cc1)NC(=O)Nc1ccc(Oc2ccnc3[nH]c(-c4cccnc4)cc23)c(F)c1,0.0
COc1cc2[nH+]ccc(Oc3ccc4nc(NC(=O)Cc5ccccc5)sc4c3)c2cc1OC,0.0
Oc1ccc(Cc2nnc3ncc(-c4ccccc4)nn23)cc1,0.0
C[NH+]1CCN(c2cnc3cc(C(F)(F)F)cc(NCc4cccc5nonc45)c3n2)CC1,0.0
COc1cc2nccc(Oc3ccc4c(c3)OCCN4C(=O)N[C@H](C)c3ccccc3)c2cc1OC,0.0
CC(=O)N1CCC(n2cc(-c3cnc(N)c(-c4nc5ccccc5o4)c3)cn2)CC1,0.0
COc1cc2[nH+]ccc(Oc3ccc4cc(NC(=O)Cc5ccccc5)ccc4c3)c2cc1OC,0.0
C[NH+]1CCN(c2cnc3cc(C(F)(F)F)cc(NCc4ccc5nonc5c4)c3n2)CC1,0.0
COc1ccc2c(OCc3nnc4ccc(-c5cc(F)c(F)c(F)c5)nn34)ccnc2c1,0.0
COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(C)n(-c5ccccc5)c4=O)cc3F)ccnc2c1,0.0
O=C(Cc1ccc(F)cc1)NC(=O)Nc1ccc(Oc2ccnc3[nH]cc(-c4cccnc4)c23)c(F)c1,0.0
[NH3+]C1CCC(=Cc2ccn3ncnc(Oc4ccc(NC(=O)NC(=O)Cc5ccc(F)cc5)cc4F)c23)CC1,0.0
COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)c2cc1OC,0.0
CCn1ccnc1-c1cc2nccc(Oc3ccc(NC(=O)N4CCN(c5ccccc5)C4=O)cc3F)c2s1,0.0
C[NH+]1CCN(c2cnc3cc(C(F)(F)F)cc(-c4ccc(O)cc4)c3n2)CC1,0.0
Cc1c(C(=O)Nc2ccc(Oc3ccnc4cc(-c5cn(C)cn5)sc34)c(F)c2)cnn1-c1ccccc1,0.0
O=C(c1cccnc1)N1CCN(c2cnc3ccn(S(=O)(=O)c4cccc5nonc45)c3c2)CC1,0.0
O=C1c2ccc(O)c(O)c2OC[C@]1(O)Cc1ccc(O)c(O)c1,0.0
O=C(Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1)c1c[nH]cc(-c2ccc(F)cc2)c1=O,0.0
Cn1cnc(-c2cc3nccc(Oc4ccc(NC(=O)NC(=O)Cc5ccccc5)cc4F)c3s2)c1,0.0
O=C(Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1)c1cn(C2CC2)cc(-c2ccc(F)cc2)c1=O,0.0
Oc1ccc(CC2=Cc3ccc(O)c(O)c3OC2)cc1O,0.0
CC(=O)N1CCN(c2cnc3ccn(S(=O)(=O)c4cccc5nonc45)c3c2)CC1,0.0
COc1cc2nccc(Oc3ccc(NC(=O)NC(=O)C[NH+]4CCCCC4)nc3)c2cc1OC,0.0
Oc1ccc(C[C@@]2(O)COc3c(ccc(O)c3O)[C@H]2O)cc1O,0.0
COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)c2cc1OC,0.0
Cn1cnc(-c2cc3nccc(Oc4ccc(NC(=O)N5CCN(c6ccccc6)C5=O)cc4F)c3s2)c1,0.0
O=C(Cc1ccc(F)cc1)NC(=O)Nc1ccc(Oc2ncnn3ccc(-c4ccccc4)c23)c(F)c1,0.0
Cn1ccnc1-c1cc2nccc(Oc3ccc(NC(=O)c4cnn(-c5ccccc5)c4C(F)(F)F)cc3F)c2s1,0.0
O=C(Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1)c1cccn(-c2ccc(F)cc2)c1=O,0.0
C[NH+]1CCN(c2cnc3cc(C(F)(F)F)cc(-c4ccccc4)c3c2)CC1,0.0
COc1cc2nccc(Oc3ccc(NC(=O)NC(=O)C[NH+]4CCCC4)nc3)c2cc1OC,0.0
O=S(=O)(c1c(Cl)nc2sccn12)n1ccc2ncc(-c3cnn(C4CC[NH2+]CC4)c3)cc21,0.0
C[NH+]1CCN(c2cnc3cc(C(F)(F)F)cc(OCc4cccc([N+](=O)[O-])c4)c3n2)CC1,0.0
O=C(Cc1ccccc1)NC(=S)Nc1ccc(Oc2ccnc3cc(-c4cccnc4)sc23)c(F)c1,0.0
Oc1cc2c(cc1O)[C@@H]1c3ccc(O)c(O)c3OC[C@]1(O)C2,0.0
C[NH+]1CCN(c2cnc3cc(C(F)(F)F)cc(NCc4cccc([N+](=O)[O-])c4)c3n2)CC1,0.0
COc1cc2nccc(Oc3ccc(NC(=O)NC(=O)c4ccccc4)nc3)c2cc1OC,0.0
[NH3+][C@H](COc1cncc(-c2ccc3cnccc3c2)c1)Cc1c[nH]c2ccccc12,0.0
Cc1cnc(Nc2cccc3c2CCCC3)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c1,0.0
Cc1cnc(Nc2ccccc2C(F)(F)F)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2ccccc2)c1,0.0
Cc1cnc(Nc2cccc3c2OC(F)(F)O3)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c1,0.0
Cc1cnc(Nc2cccc3c2OCCO3)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c1,0.0
Cc1ccccc1Nc1ncc(C)c(-c2c[nH]c(C(=O)N[C@H](CO)c3cccc(Cl)c3)c2)n1,0.0
O=C(c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1)N1CCOCC1,0.0
Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4ccccc4)c3)cc12,0.0
Cc1ccccc1Nc1ncc(C)c(-c2c[nH]c(C(=O)N[C@H](CO)c3ccccc3)c2)n1,0.0
O=C(NCc1ccc(F)c(F)c1)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1,0.0
Cc1cnc(Nc2cccc3c2OCO3)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c1,0.0
CC(=O)N1CCC(Nc2ncc3c(n2)-c2c(c(C(N)=O)nn2C)CC3)CC1,0.0
Cc1cc(Cl)ccc1Nc1ncc(C)c(-c2c[nH]c(C(=O)N[C@H](CO)c3cccc(Cl)c3)c2)n1,0.0
Cc1cnc(Nc2cccc3c2CCC3)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c1,0.0
Cc1cnc(Nc2ccc(F)cc2Cl)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c1,0.0
Cc1cnc(Nc2cccc(F)c2C)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c1,0.0
Cc1cnc(Nc2cccc(C)c2C)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c1,0.0
O=C(N[C@H](CO)c1ccc(C(F)(F)F)cc1)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1,0.0
O=C(N[C@H](CO)c1ccc(F)c(Cl)c1)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1,0.0
Cc1cnc(Nc2ccccc2Cl)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2ccccc2)c1,0.0
O=C(c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1)N1CCCC1,0.0
COc1ccc(CNC(=O)c2cc(-c3[nH]ncc3-c3cccc(Cl)c3)c[nH]2)cc1,0.0
Cc1cnc(Nc2ccc(Cl)cc2F)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c1,0.0
O=C(NC[C@@H]1CCCO1)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1,0.0
CCc1ccccc1Nc1ncc(C)c(-c2c[nH]c(C(=O)N[C@H](CO)c3cccc(Cl)c3)c2)n1,0.0
O=C(NCc1cccnc1)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1,0.0
Cc1cccc([C@@H](CO)NC(=O)c2cc(-c3nc(Nc4ccccc4)ncc3C)c[nH]2)c1,0.0
O=C(N[C@H](CO)c1ccc(F)c(F)c1)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1,0.0
Cc1cnc(Nc2ccccc2F)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2ccccc2)c1,0.0
O=C(NCc1ccccc1)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1,0.0
CCc1ccccc1Nc1ncc(C)c(-c2c[nH]c(C(=O)N[C@H](CO)c3ccccc3)c2)n1,0.0
Cc1cnc(Nc2ccccc2)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(F)c2)c1,0.0
O=C(c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1)N1CCc2ccccc2C1,0.0
Cn1nc(C(N)=O)c2c1-c1nc(NC3CCN(C(=O)c4ccccc4)CC3)ncc1CC2,0.0
O=C(N[C@H](CO)c1cc(Cl)cc(Cl)c1)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1,0.0
O=C(NCc1ccncc1)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1,0.0
Cc1cnc(Nc2ccccc2O)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2ccccc2)c1,0.0
C[C@H](NC(=O)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1)c1ccccc1,0.0
Cc1cnc(Nc2ccccc2)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c1,0.0
Cc1cnc(Nc2ccccc2)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2ccccc2)c1,0.0
O=C(N[C@@H](CO)c1ccccc1F)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1,0.0
O=C(N[C@H](CO)c1ccc(F)cc1)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1,0.0
[NH3+]Cc1ccc(-c2cnc3[nH]cc(-c4cccc(NC(=O)Nc5ccc(C(F)(F)F)cc5F)c4)c3c2)cc1,0.0
O=C(NC1CC[NH2+]CC1)c1cccc(-c2[nH]nc3cc(Nc4ccccc4Cl)ccc23)c1,0.0
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1ccc2nc(NCCN3CCOCC3)ncc2c1,0.0
NC(=O)c1cccc(-c2[nH]nc3cc(Nc4ccccc4Cl)ccc23)c1,0.0
Cc1ccc2c(c1)N(Cc1cc(F)cc3c1OCOC3)C(=O)/C2=N\O,0.0
CC1CCN(C(=O)N2CCC(Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)CC2)CC1,0.0
O=C(NCCCN1CCCC1=O)c1cnccc1Nc1nc(-c2cc(Br)ccc2F)nc2nccnc12,0.0
O=C1/C(=N\O)c2ccc(-c3ccccc3)cc2N1Cc1cc(F)cc2c1OCOC2,0.0
CC(=O)N1CCC(C(=O)Nc2cc(-c3ccnc(Nc4ccccc4)c3)ccn2)CC1,0.0
c1cncc(-c2ncn(-c3ccc(Nc4nccc(-c5cccc(N6CCOCC6)c5)n4)cc3)n2)c1,0.0
C[NH+]1CCN(c2ncn(-c3ccc(Nc4nccc(-c5cc(F)cc(N6CCOCC6)c5)n4)cc3)n2)CC1,0.0
CCNC(=O)N1CCC(Nc2nccc(-c3c(-c4ccccc4)[nH]c4ccccc34)n2)CC1,0.0
Cc1cnc(C(=O)Nc2cc(-c3ccnc(Nc4ccccc4)c3)ccn2)cn1,0.0
O=C(NCCCN1CCOCC1)c1cccc(-c2[nH]nc3cc(Nc4ccccc4Cl)ccc23)c1,0.0
O=C(Nc1cc(-c2ccnc(Nc3ccc(F)cc3)c2)ccn1)C1CCOCC1,0.0
CC(=O)N1CCCC[C@@H]1C(=O)Nc1cc(-c2ccnc(Nc3ccccc3)c2)ccn1,0.0
CO[C@H]1CC[C@H](C(=O)Nc2cc(-c3ccnc(Nc4ccc(F)cc4)c3)ccn2)CC1,0.0
Fc1cc(-c2ccnc(Nc3ccc(-n4cnc(N5CCOCC5)n4)cc3)n2)cc(N2CCOCC2)c1,0.0
Cn1nnc(-c2ccc(Nc3nccc(-c4cc(C#N)cc(N5CCOCC5)c4)n3)cc2)n1,0.0
O=C(Nc1cc(-c2ccnc(Nc3ccccc3)c2)ccn1)c1ccco1,0.0
O=C(Nc1cc(-c2ccnc(Nc3ccccc3)c2)ccn1)c1cccnc1,0.0
CNC(=O)C[N@H+]1CC[C@H](Nc2ncc(Cl)c(-c3c[nH]c4ccccc34)n2)CC1,0.0
c1ccc(-c2ccnc(Nc3ccc(-n4cncn4)cc3)n2)cc1,0.0
COc1cc(N2CC[NH+](C(C)C)CC2)ccc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1,0.0
CNC(=O)C[N@@H+]1CCC[C@@H](Nc2ncc(Cl)c(-c3c[nH]c4ccccc34)n2)C1,0.0
O=C(NCc1ccccc1)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1,0.0
Fc1ccc(Nc2cc(-c3ccnc(Nc4ccc(F)cc4)c3)ccn2)cc1,0.0
CNc1ncc2cc(-c3c(C)ccc4c(Nc5ccc6c(c5)NC(=O)C6(C)C)nccc34)ccc2n1,0.0
Cc1ccc(NC(=O)c2ccnc(N3CCCC3)c2)cc1-c1ccc2cc[nH]c(=O)c2c1,0.0
O=C1/C(=N\O)c2c(CCc3ccccc3)cccc2N1Cc1cc(F)cc2c1OCOC2,0.0
Cc1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)cc1-c1ccc2cc[nH]c(=O)c2c1,0.0
CCNC(=O)c1cn2ncnc(Nc3cc(NC(=O)c4cccc(N5CCCC5=O)c4)ccc3C)c2c1C,0.0
Cc1ccc(C(=O)Nc2cccc(-c3ccccn3)c2)cc1-c1ccc(C(=O)Nc2cccc(C#N)c2)cc1,0.0
Cc1ccc(NC(=O)c2ccnc(N3CCCC3)c2)cc1-c1ccc2c(N)noc2c1,0.0
COc1c(C#N)cc(C(C)(C)C)cc1NC(=O)C(=O)c1ccc(-c2ccnc(C)c2)c2ccccc12,0.0
Cc1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)cc1-c1ccc2ccncc2c1,0.0
Cc1ccc(NC(=O)c2ccnc(N3CCCC3)c2)cc1-c1ccc2nc(N)[nH]c(=O)c2c1,0.0
Cc1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)cc1-c1ccc2c(N)noc2c1,0.0
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1ncccc1-c1ccncn1,0.0
Cc1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)cc1-c1ccc2nc(N)[nH]c(=O)c2c1,0.0
Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc(Nc3ncnc4ccc([N+](=O)[O-])cc34)c2)c1,0.0
COc1ccc(CCOc2ccc(NC(=O)Nc3cc(C(C)(C)C)nn3-c3ccc(C)cc3)c3ccccc23)cc1OC,0.0
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2C)cc1-c1ccc2nc(Nc3ccccc3)ncc2c1,0.0
CNc1ncc2cc(-c3cc(C(=O)Nc4cccc(C(F)(F)F)c4)ccc3C)ccc2n1,0.0
Cc1ccc(NC(=O)c2ccnc(N3CCCC3)c2)cc1-c1ccc2[nH]c(=O)ccc2c1,0.0
Cc1ccc(NC(=O)c2cccc(-n3c(C)ccc3C)c2)cc1-c1ccc(C(=O)NCC2CC2)cc1,0.0
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1C(=O)Nc1cnc(Nc2ccc(N3CC[NH+](C)CC3)cc2)nc1,0.0
Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(=O)n(CC3CC3)nnc2c1,0.0
O=C(NC1CC[NH2+]CC1)c1cccc(-c2[nH]nc3cc(Nc4ccccc4Cl)ccc23)c1,0.0
CNc1ncc2cc(-c3cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc3C)ccc2n1,0.0
Cc1ccc(NC(=O)c2ccnc(N3CCOCC3)c2)cc1-c1ccc(C(=O)NCC2CC2)cc1,0.0
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2C)cc1-c1ccc2nc(N[C@H]3CC[N@H+](C)CC3)ncc2c1,0.0
C[C@H](Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2Cc2cccc(C(N)=O)c2)n1)c1ccccc1,0.0
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1ccc2nc(NCCN3CCOCC3)ncc2c1,0.0
NC(=O)c1cccc(-c2[nH]nc3cc(Nc4ccccc4Cl)ccc23)c1,0.0
CCCCn1c(=O)[nH]c2cc(-c3cc(NC(=O)c4ccnc(N5CCCC5)c4)ccc3C)ccc2c1=O,0.0
CNc1ncc2cc(-c3cc(NC(=O)Nc4cccc(C(F)(F)F)c4)ccc3C)ccc2n1,0.0
Cc1nnc(-c2ccc(C)c(-c3ccc(C(=O)NCc4ccc([N-]S(C)(=O)=O)cc4)cc3)c2)o1,0.0
COc1ccc(S(=O)(=O)[C@@](C)(Cc2ccc3ccccc3c2)C(=O)NO)cc1,0.0
Cc1cc(COc2ccc(C3(N4CCN(CCc5ccccc5)CC4)C(=O)NC(=O)NC3=O)cc2)c2ccccc2n1,0.0
O=C(NO)[C@H]1CN(C(=O)c2cccs2)c2ccccc2CN1S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1,0.0
Cc1cccc(N2CCN(C(=O)C3CCN(c4ccc(S(=O)(=O)C5(C(=O)NO)CCOCC5)cc4)CC3)CC2)c1C,0.0
O=C([O-])[C@H]1[C@H](Cn2nnc3ccccc3c2=O)CC[C@@H]1S(=O)(=O)CCc1ccc(-c2ccc(Cl)cc2)cc1,0.0
Cc1cc(COc2ccc(S(=O)(=O)C3(C(=O)NO)CCN(C(=O)c4ccccc4)CC3)cc2)c2ccccc2n1,0.0
O=C1NC(=O)C2(CCCN2c2ccc(Oc3ccc(-c4nc5ccc(F)cc5[nH]4)cc3)nc2)C(=O)N1,0.0
O=C(NO)[C@]1(S(=O)(=O)c2ccc(-c3ccco3)cc2)CC[N@@H+](Cc2ccccc2)CC1,0.0
O=C([O-])[C@H]1[C@H](Cn2nnc3ccccc3c2=O)CC[C@@H]1S(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1,0.0
O=C([O-])[C@H]1[C@H](Cn2c(=O)nc3ccccn3c2=O)CC[C@@H]1Sc1ccc(-c2ccc(Cl)cc2)cc1,0.0
O=C([O-])[C@H]1[C@H](CN2C(=O)c3ccccc3S2(=O)=O)CC[C@@H]1Sc1ccc(-c2ccc(Cl)cc2)cc1,0.0
O=C(NO)[C@H](CCn1nnc2ccccc2c1=O)COc1ccc(-c2ccc(Cl)cc2)cc1,0.0
COc1ccc(S(=O)(=O)[C@@](C)(Cc2ccc(-c3ccccc3)cc2)C(=O)NO)cc1,0.0
COc1ccc(S(=O)(=O)N2Cc3ccccc3N(C(=O)c3ccc(-c4ccccc4)cc3)C[C@@H]2C(=O)NO)cc1,0.0
O=C([O-])[C@H]1[C@H](CN2C(=O)c3ccccc3C2=O)CC[C@@H]1SCCc1ccc(-c2ccc(Cl)cc2)cc1,0.0
COc1ccc(S(=O)(=O)N(Cc2cccnc2)c2c(C)cc(-c3cccc(C(F)(F)F)c3)cc2C(=O)NO)cc1,0.0
COc1ccc(-c2ccc(S(=O)(=O)N[C@@H](C(=O)[O-])C3CCN(C(=O)N4CCOCC4)CC3)cc2)cc1,0.0
O=C(NO)[C@H](CCn1nnc2ccccc2c1=O)CSc1ccc(-c2ccc(Cl)cc2)cc1,0.0
O=C([O-])[C@H]1[C@H](CN2C(=O)c3ccccc3C2=O)CC[C@@H]1Sc1ccc(-c2ccccc2)cc1,0.0
COc1ccc(S(=O)(=O)[C@]2(C(=O)NO)CC[N@@H+](Cc3ccc(-c4ccccc4)cc3)CC2)cc1,0.0
Cc1cccc(C(=O)NO)c1N(Cc1cccnc1)S(=O)(=O)c1ccc(-c2ccc3c(c2)OCO3)cc1,0.0
CC#CCOc1ccc(S(=O)(=O)N2Cc3cc(N4CC[NH+](C)CC4)ccc3N(C(C)=O)C[C@@H]2C(=O)NO)cc1,0.0
O=C(CN(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc2ccccc12)NO,0.0
CC1(C)C[C@@H](O)CN(S(=O)(=O)c2ccc(OCc3ccnc4ccccc34)cc2)[C@H]1C(=O)NO,0.0
CC#CCOc1ccc(S(=O)(=O)N2Cc3cc(OCCc4ccccc4)ccc3N(C(C)=O)C[C@@H]2C(=O)NO)cc1,0.0
COc1ccc(S(=O)(=O)N(Cc2cccnc2)c2c(C)cc(-c3ccc4ccccc4c3)cc2C(=O)NO)cc1,0.0
CC(=O)N1CCN(S(=O)(=O)c2ccc(OCc3ccnc4ccccc34)cc2)[C@@H](C(=O)NO)[C@@H]1C,0.0
CC#CCOc1ccc(S(=O)(=O)N2Cc3ccccc3N(C(=O)c3cccnc3)C[C@@H]2C(=O)NO)cc1,0.0
COc1ccc(-c2ccc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]3CCC[C@@H](N(Cc4ccccc4)C(C)=O)C3)cc2)cc1,0.0
COc1ccc(S(=O)(=O)N2Cc3ccccc3N(C(=O)CCc3ccccc3)C[C@@H]2C(=O)NO)cc1,0.0
COc1ccc(-c2ccc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]3CCCC4(C3)OCCO4)cc2)cc1,0.0
CC#CCOc1ccc(S(=O)(=O)N2Cc3ccccc3N(C(=O)c3ccco3)C[C@@H]2C(=O)NO)cc1,0.0
N#C/C(=C(/N)Sc1ccccc1N)c1cccc([C@H](O)c2ccc3ccccc3c2)c1,0.0
C[NH+]1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1,0.0
COc1cc2cc3ncc(C#N)c(Nc4ccc(Oc5ccccc5)cc4)c3cc2cc1OC,0.0
Cc1ccc(NC(=O)c2ccnc(N3CCCC3)c2)cc1-c1ccc2c(C3CC[NH2+]CC3)noc2c1,0.0
Cc1nnc(-c2ccc(-c3cc(C(=O)Nc4cccc(N5CCOCC5)c4)ccc3C)c(C)c2)o1,0.0
Cc1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)cc1-c1ccc2c(C3CC[NH2+]CC3)noc2c1,0.0
Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)nc12,0.0
Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NC[C@@H](O)CN1CCOCC1,0.0
Cc1cccc(C)c1-c1cc(C)c2nc(Nc3ccc(OCC[NH+]4CCCC4)cc3)nnc2c1,0.0
N#Cc1cnc2cnc(NCCN3CCOCC3)cc2c1Nc1ccc(Cc2ccccc2)cc1,0.0
Cc1c(Nc2ccccc2)cn2ncc(C#N)c(Nc3ccc(Oc4ccccc4)cc3)c12,0.0
N#C/C(=C(/N)Sc1ccccc1N)c1cccc([C@H](O)c2cccc3ccccc23)c1,0.0
Cc1c(Cc2ccccc2)c(=O)oc2cc(OC(=O)C3CC3)ccc12,0.0
N#C/C(=C(/N)Sc1ccccc1N)c1cccc([C@H](O)Cc2ccccc2)c1,0.0
N#C/C(=C(/N)Sc1ccccc1N)c1cccc([C@@H](O)c2ccccn2)c1,0.0
CC(C)(C)c1nc2c3cc[nH]c(=O)c3c3cc(F)ccc3c2[nH]1,0.0
COc1cc2ncc(C#N)c(Nc3cccc(Oc4ccccc4)c3)c2cc1OC,0.0
N#C/C(=C(/N)Sc1ccccc1N)c1cccc(C(=O)c2ccccc2)c1,0.0
CC(=O)Nc1cccc(C(=O)Nc2cn3ncc(C#N)c(Nc4ccc(Oc5ccccc5)cc4)c3c2C)c1,0.0
CN1CCN(/[NH+]=C(\N)c2c(Nc3ccc(Oc4cc(Cl)ccc4Cl)cc3)s[nH]c2=O)CC1,0.0
N#Cc1cnc2cnc(NCCN3CCOCC3)cc2c1Nc1ccc(Sc2ccccc2)cc1,0.0
N#C/C(=C(/N)Sc1ccccc1N)c1cccc([C@@H](O)c2ccc3c(c2)OCCO3)c1,0.0
N/C(=[NH+]\N1CCOCC1)c1c(Nc2ccc(Oc3cc(Cl)ccc3Cl)cc2)s[nH]c1=O,0.0
N/C(=[NH+]\CCCN1CCOCC1)c1c(Nc2ccc(Oc3cc(Cl)ccc3Cl)cc2)s[nH]c1=O,0.0
N#C/C(=C(/N)Sc1ccccc1N)c1ccc(C(=O)c2ccccc2)cc1,0.0
N/C(=[NH+]\CCN1CCOCC1)c1c(Nc2ccc(Oc3cc(Cl)ccc3Cl)cc2)s[nH]c1=O,0.0
COc1cc2ncc(C#N)c(Nc3ccc(Oc4ccccc4)cc3)c2cc1OC,0.0
N#C/C(=C(/N)Sc1ccccc1N)c1cccc([C@@H](O)C2CCCCC2)c1,0.0
N#Cc1cnc2cnc(NCCN3CCOCC3)cc2c1Nc1ccc(Oc2ccccc2)cc1,0.0
N/C(=[NH+]\C[C@@H]1CCCO1)c1c(Nc2ccc(Oc3cc(Cl)ccc3Cl)cc2)s[nH]c1=O,0.0
C[C@H](CO)/[NH+]=C(\N)c1c(Nc2ccc(Cc3ccccc3)cc2)s[nH]c1=O,0.0
N/C(=[NH+]\CCN1CCNCC1)c1c(Nc2ccc(Oc3cc(Cl)ccc3Cl)cc2)s[nH]c1=O,0.0
CNC(=O)Nc1cn2ncc(C#N)c(Nc3ccc(Oc4ccccc4)cc3)c2c1C,0.0
COc1cc2ncc(C#N)c(Nc3ccc(Nc4ccccc4)cc3)c2cc1OC,0.0
COc1ccccc1Oc1ccc(Nc2c(C#N)cnn3cc(NC(=O)NCCN4CCOCC4)c(C)c23)cc1,0.0
N#C/C(=C(/N)Sc1ccccc1N)c1ccccc1Oc1ccccc1,0.0
COc1cc2ncc(C#N)c(Nc3ccc(Cc4ccccc4)cc3)c2cc1OC,0.0
N/C(=[NH+]\CC1CCCCC1)c1c(Nc2ccc(Cl)cc2Cl)s[nH]c1=O,0.0
COc1cc2c(Nc3ccc(CCc4ccccc4)cc3)c(C#N)cnc2cc1OCCCN1CCOCC1,0.0
C[C@H](CO)/[NH+]=C(\N)c1c(Nc2ccc(Oc3cccc(F)c3F)cc2)s[nH]c1=O,0.0
N#C/C(=C(/N)Sc1ccccc1N)c1ccc(Oc2ccccc2)cc1,0.0
Cc1c(C(=O)NCCN2CCOCC2)cn2ncc(C#N)c(Nc3ccc(Oc4ccccc4)cc3)c12,0.0
C[N@@H+]1CC[C@@H](Oc2ccc(-c3cccc(N)[nH+]3)c3ccccc23)C1,0.0
Nc1cccc(-c2ccc(OC[C@@H]3C[C@H]4CC[N@@H+]3CC4)c3ccccc23)[nH+]1,0.0
C[NH+]1CCN(CCOc2ccc(-c3cccc(N)[nH+]3)c3ccccc23)CC1,0.0
Cc1cc(N)[nH+]c(C[C@@H]2C[NH2+]C[C@@H]2OCc2ccc(-c3ccc(F)c(C)c3)cc2)c1,0.0
C[N@@H+]1CCC[C@@H]1COc1ccc(-c2cccc(N)[nH+]2)c2ccccc12,0.0
C[NH+]1CCN(CCOc2ccc(-c3cccc(N)[nH+]3)c3c2CCCC3)CC1,0.0
C[NH+](C)[C@@H]1CCCC[C@@H]1Oc1ccc(-c2cccc(N)[nH+]2)c2ccccc12,0.0
C[NH+](C)C1CCN(CCOc2ccc(-c3cccc(N)[nH+]3)c3ccccc23)CC1,0.0
Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2c(F)c(F)ccc12)c1cccc(Cl)c1,0.0
Nc1cccc(-c2ccc(OCC[NH+]3CCCC3)c3c2CCCC3)[nH+]1,0.0
Nc1cccc(-c2ccc(OCC[NH+]3CCCC3)c3ccccc23)[nH+]1,0.0
C[NH+](C)CCOc1ccc(-c2cccc(N)[nH+]2)c2c1CCCCC2,0.0
C[NH+]1CCN(CCOc2ccc(-c3cccc(N)[nH+]3)c3c2CCC3)CC1,0.0
C[NH+](C)CCOc1ccc(-c2cccc(N)[nH+]2)c2ccccc12,0.0
N/C(=N\c1ccc2sc(N[C@H]3CC[N@H+](Cc4ccccc4)CC3)nc2c1)c1cccs1,0.0
Cn1cncc1C(=O)N(Cc1cc(=O)[nH]c2c(F)c(F)ccc12)c1cccc(Cl)c1,0.0
Nc1cccc(-c2ccc(OCC[NH+]3CCCC3)c3c2CCC3)[nH+]1,0.0
Nc1cccc(-c2ccc(CC[NH+]3CCN(CC(=O)c4ccccc4)CC3)cc2)[nH+]1,0.0
C[NH+](C)CCOc1ccc(-c2cccc(N)[nH+]2)c2c1CCCC2,0.0
Nc1cccc(-c2ccc(CC[NH+]3CCN(C(=O)Cc4ccccc4)CC3)cc2)[nH+]1,0.0
Nc1cccc(-c2ccc(CC[NH+]3CCN(c4cccc5cccnc45)CC3)cc2)[nH+]1,0.0
Nc1cccc(-c2ccc(CCN3CC[NH+](CCc4ccccc4)CC3)cc2)[nH+]1,0.0
[NH2+]=C1Nc2cc(C[NH2+]Cc3cccc(Cl)c3)ccc2[C@H]2CCC[C@@H]12,0.0
C[NH+](C)CCOc1ccc(-c2cccc(N)[nH+]2)c2c1CCC2,0.0
Cc1noc(C)c1C(=O)N(Cc1cc(=O)[nH]c2c(F)c(F)ccc12)c1cccc(Cl)c1,0.0
Cc1cc(C[C@H]2C[NH2+]C[C@H]2NCC[NH2+]CCc2cccc(F)c2)cc(N)[nH+]1,0.0
N/C(=N\c1ccc2nc(N[C@H]3CC[N@H+](Cc4ccccc4)CC3)sc2c1)c1cccs1,0.0
O=C(c1c[nH]cn1)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1,0.0
Cc1cc(N)[nH+]c(C[C@@H]2C[NH2+]C[C@@H]2OCC[NH2+]CCOc2cccc(F)c2)c1,0.0
Cc1cc(N)[nH+]c(C[C@H]2C[NH2+]C[C@H]2NCCOCCc2cccc(F)c2)c1,0.0
CN(Cc1cc(Cl)ccc1C#N)[C@H]1CC[N@H+](CC2CC2)CC1,0.0
N#Cc1ccc(Cl)cc1CN(CC1CC1)C1CC[NH2+]CC1,0.0
[NH2+]=C1Nc2cc(CCC[NH2+]Cc3cccc(Cl)c3)ccc2[C@H]2CCC[C@@H]12,0.0
CCCN(CCc1ccc(-c2ccccc2)cc1)C(=O)[C@@H]1OC(C(=O)[O-])=C[C@H]([NH3+])[C@H]1NC(C)=O,0.0
CC(=O)N[C@@H]1[C@@H]([NH3+])CC(C(=O)[O-])=C[C@H]1OCCCc1ccc(-c2ccccc2)cc1,0.0
CC(=O)N[C@H](C(=O)N[C@H](C)CCc1ccccc1)[C@H]1C[C@@H](C(=O)[O-])C[C@@H]1[NH+]=C(N)N,0.0
CCCN(CCc1cccc(-c2ccccc2)c1)C(=O)[C@@H]1OC(C(=O)[O-])=C[C@H]([NH3+])[C@H]1NC(C)=O,0.0
CC[C@@H](CCc1ccccc1)O[C@@H]1C=C(C(=O)[O-])C[C@H]([NH3+])[C@H]1NC(C)=O,0.0
CC[C@H](CCc1ccccc1)O[C@@H]1C=C(C(=O)[O-])C[C@H]([NH3+])[C@H]1NC(C)=O,0.0
CC(=O)N[C@H]1[C@H]([N@H+](C)CCc2ccccc2)C=C(C(=O)[O-])C[C@@H]1N,0.0
CCN(CCc1ccccc1)C(=O)[C@@H]1OC(C(=O)[O-])=C[C@H]([NH3+])[C@H]1NC(C)=O,0.0
CC[C@@H](CCC1CCCCC1)O[C@@H]1C=C(C(=O)[O-])C[C@H]([NH3+])[C@H]1NC(C)=O,0.0
CCCN(CCCc1ccccc1)C(=O)[C@@H]1OC(C(=O)[O-])=C[C@H]([NH3+])[C@H]1NC(C)=O,0.0
CCCN(CCc1cccc(O)c1)C(=O)[C@@H]1OC(C(=O)[O-])=C[C@H]([NH3+])[C@H]1NC(C)=O,0.0
CCCN(CCc1ccccc1)C(=O)[C@@H]1OC(C(O)O)=C[C@H]([NH+]=C(N)N)[C@H]1NC(C)=O,0.0
CCCN(CCc1ccccc1)C(=O)[C@@H]1OC(C(O)O)=C[C@H](N)[C@H]1NC(C)=O,0.0
CCCN(CCc1ccc(Cc2ccccc2)cc1)C(=O)[C@@H]1OC(C(=O)[O-])=C[C@H]([NH3+])[C@H]1NC(C)=O,0.0
CC(=O)N[C@H]1[C@H]([N@@H+]2[C@@H]3CCC[C@H]2CC3)C=C(C(=O)[O-])C[C@@H]1N,0.0
CCCN(CCc1ccccc1)C(=O)[C@@H]1OC(C(=O)[O-])=C[C@H]([NH3+])[C@H]1NC(C)=O,0.0
CCCN(CCc1ccccc1)C(=O)[C@@H]1OC(C(=O)[O-])=C[C@H](N)[C@H]1NC(=O)C(F)(F)F,0.0
CC(=O)N[C@@H]1[C@@H]([NH3+])CC(C(=O)[O-])=C[C@H]1OCc1ccccc1,0.0
CC(=O)N[C@@H]1[C@@H]([NH3+])CC(C(=O)[O-])=C[C@H]1OC1CCCCC1,0.0
CC(=O)N[C@H](C(=O)N1CCCC[C@H]1C)[C@H]1C[C@@H](C(=O)[O-])C[C@@H]1[NH+]=C(N)N,0.0
CC[C@@H](CC1CCCCC1)O[C@@H]1C=C(C(=O)[O-])C[C@H]([NH3+])[C@H]1NC(C)=O,0.0
CCCN(CCc1ccccc1)C(=O)[C@@H]1OC(C(=O)[O-])=C[C@H]([NH+]=C(N)N)[C@H]1NC(C)=O,0.0
CCN(Cc1ccccc1)C(=O)[C@@H](NC(C)=O)[C@H]1C[C@@H](C(=O)[O-])C[C@@H]1[NH+]=C(N)N,0.0
CC(=O)N[C@@H]1[C@@H]([NH3+])C=C(C(=O)[O-])O[C@H]1C(=O)N(CCc1ccccc1)C1CC1,0.0
CC(=O)N[C@@H]1[C@@H]([NH3+])CC(C(=O)[O-])=C[C@H]1OC1CCCC1,0.0
CC[C@@H]1CC[C@H](CC)N1C(=O)[C@@H]1OC(C(=O)[O-])=C[C@H]([NH3+])[C@H]1NC(C)=O,0.0
CCCN(CCc1ccccc1)C(=O)[C@@H]1OC(C(=O)[O-])=C[C@H]([NH3+])[C@H]1NC(=O)CC,0.0
CCC[C@H]1CC[N@H+]([C@@H]2C=C(C(=O)[O-])C[C@H](N)[C@H]2NC(C)=O)CC1,0.0
CC(=O)N[C@@H](C(=O)N1CCCCC1)[C@H]1C[C@@H](C(=O)[O-])C[C@@H]1[NH+]=C(N)N,0.0
CC(=O)N[C@H]1[C@H]([N@H+](C)C2CCCCC2)C=C(C(=O)[O-])C[C@@H]1N,0.0
CC(=O)N[C@H]1[C@H]([NH+]2CCCCCCCC2)C=C(C(=O)[O-])C[C@@H]1N,0.0
CC(=O)N[C@H]1[C@H]([NH+]2CCCCCCC2)C=C(C(=O)[O-])C[C@@H]1N,0.0
CCCCCCC[C@H](CC)O[C@@H]1C=C(C(=O)[O-])C[C@H]([NH3+])[C@H]1NC(C)=O,0.0
CC[C@@H]1CCCCN1C(=O)[C@@H](NC(C)=O)[C@H]1C[C@@H](C(=O)[O-])C[C@@H]1[NH+]=C(N)N,0.0
CCCCc1nnc([C@@H]2OC(C(=O)[O-])=C[C@H]([NH3+])[C@H]2NC(C)=O)n1CCC,0.0
CC(=O)N[C@@H]1[C@@H]([NH3+])C=C(C(=O)[O-])O[C@H]1C(=O)N1CCC[C@H]1C,0.0
CC(=O)N[C@H]1[C@H]([C@@H](O)[C@H](O)CO)OC(C(O)O)=C[C@@H]1NC(N)=[NH2+],0.0
C=CC[C@H](CC)O[C@@H]1C=C(C(=O)[O-])C[C@H]([NH3+])[C@H]1NC(C)=O,0.0
CC(=O)N[C@@H]1[C@@H](N)CC(C(=O)[O-])=C[C@H]1[N@H+]1CC[C@H](C)CC1,0.0
CC(=O)N[C@H]1[C@H](N2CCOCC2)C=C(C(=O)[O-])C[C@@H]1N,0.0
CC(=O)N[C@H]1[C@H]([NH+]2CCCCCC2)C=C(C(=O)[O-])C[C@@H]1N,0.0
C=CC[C@@H](CC)O[C@@H]1C=C(C(=O)[O-])C[C@H]([NH3+])[C@H]1NC(C)=O,0.0
C/C=C\[C@@H]1C[C@H](C(=O)[O-])[NH2+][C@H]1[C@@H](NC(C)=O)[C@@H](O)CC,0.0
CC(=O)N[C@H]1[C@H]([NH+]2CCCC2)C=C(C(=O)[O-])C[C@@H]1N,0.0
C=CC[C@H](O)[C@H](NC(C)=O)[C@@H]1[NH2+][C@@H](C(=O)[O-])C[C@H]1/C=C\C,0.0
Cc1c(CC(=O)NN)c2cc(-c3ccccc3)ccc2n1Cc1ccccc1,0.0
COc1ccc2c(c1)c(CC(=O)NN)c(C)n2Cc1cccc(-c2ccccc2)c1,0.0
Cc1c(C(=O)C(N)=O)c2c(OCC(=O)[O-])cccc2n1Cc1cccc(-c2ccccc2)c1,0.0
CCc1c(C(=O)C(N)=O)c2c(O[C@H](CCc3ccccc3)C(=O)[O-])cccc2n1Cc1ccccc1,0.0
COc1ccc2c(c1)c(CC(=O)NN)c(C)n2Cc1cccc(OCc2ccccc2)c1,0.0
Cc1c(C(=O)C(N)=O)c2c(OCC(=O)[O-])cccc2n1Cc1ccc(-c2ccccc2)cc1,0.0
COc1ccc2c(c1)c(CC(=O)NN)c(C)n2Cc1ccccc1-c1ccccc1,0.0
Cc1c(C(=O)C(N)=O)c2c(OCCCC(=O)[O-])cccc2n1Cc1ccccc1-c1ccccc1,0.0
Cc1c(C(=O)C(N)=O)c2c(OC/C([O-])=N/S(=O)(=O)c3ccccc3)cc3c(c2n1Cc1ccccc1)CCCC3,0.0
Cc1c(C(=O)C(N)=O)c2c(OCC(=O)[O-])cccc2n1Cc1cccc2ccccc12,0.0
CCCCCCCCCCCC(=O)c1c(C(=O)[O-])n(CCOc2c(F)cc(C(=O)[O-])cc2F)c2ccccc12,0.0
Cc1c(CC(N)=O)c2cc(OCc3ccccc3C(=O)[O-])ccc2n1Cc1ccccc1,0.0
CCCCCCCCN(C)C(=O)Cn1cc(Cc2cnc(=O)n(C)c2)c(=O)nc1SCc1ccc(F)cc1,0.0
C[C@H]1[C@H](C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@H]5CC[C@@]43C)[C@H]12,0.0
CCCCCCCCN(C)C(=O)Cn1cc(Cc2cnc(=O)n(CC)c2)c(=O)nc1SCc1ccc(F)cc1,0.0
CCCCCCCCCCCC(=O)c1c(C(=O)[O-])n(CCOc2ccc(C(=O)[O-])cc2C)c2ccccc12,0.0
CCc1c(C(=O)C(N)=O)c2c(OCC(=O)[O-])cccc2n1C(=O)c1ccccc1,0.0
CCc1c(CC(N)=O)c2cc(OCc3ccccc3C(=O)[O-])ccc2n1Cc1ccccc1,0.0
NC(=O)C(=O)c1c(C2CC2)n(Cc2ccccc2-c2ccccc2)c2cccc(OCC(=O)[O-])c12,0.0
NC(=O)Cc1c(Br)n(Cc2ccccc2)c2cc(Cl)c(OCCCC(=O)[O-])cc12,0.0
Cc1c(C(=O)C(N)=O)c2c(OCC(=O)[O-])cccc2n1Cc1ccccc1-c1ccccc1,0.0
CCc1c(C(=O)C(N)=O)c2c(OCC(=O)[O-])cccc2n1Cc1ccccc1Cc1ccccc1,0.0
NC(=O)Cc1c(C2CC2)n(Cc2ccccc2)c2ccc(OCCCC(=O)[O-])cc12,0.0
CCCCc1nc(Cl)c(C2=NO[C@@H](C(=O)Oc3ccccc3)C2)[nH]1,0.0
Cc1c(C(=O)C(N)=O)c2c(O[C@H](C)C(=O)[O-])cccc2n1Cc1ccccc1,0.0
CCCCCCCCCCCC(=O)c1c(C(=O)[O-])n(CCOc2ccc(C(=O)[O-])cc2Cl)c2ccccc12,0.0
Cc1ccccc1Cn1c(C)c(C(=O)C(N)=O)c2c(OCC(=O)[O-])cccc21,0.0
Cc1c(C(=O)C(N)=O)c2c(OCC(=O)[O-])cccc2n1Cc1ccccc1,0.0
Cc1c(CC(N)=O)c2c(OCC(=O)[O-])cccc2n1Cc1ccccc1-c1ccccc1,0.0
CCCCCCCCCCCCN(C)C(=O)Cn1cc(Cc2cnc(=O)n(C)c2)c(=O)nc1SCc1ccc(F)cc1,0.0
CCCCCCCCN(C)C(=O)Cn1cc(Cc2cnc(=O)n(CCO)c2)c(=O)nc1SCc1ccc(F)cc1,0.0
NC(=O)C(=O)c1c(C2CC2)n(Cc2ccccc2)c2cccc(OCC(=O)[O-])c12,0.0
CCCCCCCCCCCCNC(=O)Cn1cc(Cc2cncnc2)c(=O)nc1SCc1ccc(F)cc1,0.0
CCCCCCCCN(C)C(=O)Cn1cc(Cc2cncnc2)c(=O)nc1SCc1ccc(F)cc1,0.0
CCCCCCCCN(C)C(=O)Cn1cc(Cc2cnc(=O)n(CC(=O)[O-])c2)c(=O)nc1SCc1ccc(F)cc1,0.0
Cc1c(C(=O)C(N)=O)c2c(OCC(=O)[O-])cccc2n1Cc1ccccc1Cl,0.0
CCc1c(C(=O)C(N)=O)c2c(OCC(=O)[O-])cccc2n1Cc1ccccc1-c1ccccc1,0.0
CCCCCCCCn1c(C)c(C(=O)C(N)=O)c2c(OCC(=O)[O-])cccc21,0.0
CCCCCCCCCCCCN(C)C(=O)Cn1cc(Cc2cncnc2)c(=O)nc1SCc1ccc(F)cc1,0.0
O=C(c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1)N1CCCN(S(=O)(=O)c2ccc(-c3ccccc3)cc2)CC1,0.0
O=C1NC(=O)c2c1c1c(c3[nH]c4ccc(-c5csc(CNC(=O)C6CCCC6)n5)cc4c23)CCC1,0.0
O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1ccc2c(c1)Cc1c-2[nH]c(=O)c2ccccc12,0.0
O=C(c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1)N1CCCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1,0.0
O=C(NCc1nc(-c2ccc3[nH]c4c5c(c6c(c4c3c2)C(=O)NC6=O)CCC5)cs1)OCc1ccccc1,0.0
O=C(c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1)N1CCN(c2ncccn2)CC1,0.0
Cc1c2c(c3c([nH]c4ccccc43)c1C)C(=O)NC2=O,0.0
O=c1[nH]c(CCC[N@@H+]2CC=C(c3ccc(-c4ccccc4)cc3)CC2)nc2ccccc12,0.0
O=C(c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F)N1CCN(c2ncc3ccccc3n2)CC1,0.0
O=c1[nH]c(C2=C[C@H]([N@@H+]3CC=C(c4ccccc4)CC3)CCC2)nc2ccccc12,0.0
O=C(c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1)N1CCc2ccccc2C1,0.0
O=C1NC(=O)c2c1c1c(c3[nH]c4ccc(-c5csc(CNC(=O)C6CC6)n5)cc4c23)CCC1,0.0
O=C1C[C@@H](c2ccccc2)C(=O)N1c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F,0.0
O=c1[nH]c2cc(C[N@@H+]3CC=C(c4ccccc4)CC3)ccc2c2ccccc12,0.0
O=c1[nH]c(C2=C[C@@H]([N@H+]3CC[C@H](c4ccccc4)CC3)CC2)nc2c(Cl)cccc12,0.0
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)N2CCOCC2)CC1,0.0
O=C(NC1CCCC1)C1CCN(C(=O)c2cccc(Cc3n[nH]c(=O)c4ccccc34)c2)CC1,0.0
N#Cc1ccc2[nH]c3c4c(c5c(c3c2c1)CNC5=O)CCC4,0.0
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCCN(C(=O)N2CCOCC2)CC1,0.0
CC1CCN(C(=O)C2CCN(C(=O)c3cccc(Cc4n[nH]c(=O)c5ccccc45)c3)CC2)CC1,0.0
COc1cc(C(=O)N2CCCN(C(=O)c3cccc(Cc4n[nH]c(=O)c5ccccc45)c3)CC2)cc(Cl)n1,0.0
CN(Cc1ccccc1)C(=O)C1CCN(C(=O)c2cccc(Cc3n[nH]c(=O)c4ccccc34)c2)CC1,0.0
O=c1[nH]c2ccc(CC[N@@H+]3CC=C(c4ccccc4)CC3)cc2c2ccccc12,0.0
O=c1[nH]c2ccc(CCC[N@@H+]3CC=C(c4ccccc4)CC3)cc2c2ccccc12,0.0
O=C(c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F)N1CCN(c2ncnc3ccccc23)CC1,0.0
O=c1[nH]c2c(c3ccccc13)Cc1cc(S(=O)(=O)NCCCN3CCOCC3)ccc1-2,0.0
O=C(NCCc1cccs1)C1CCN(C(=O)c2cccc(Cc3n[nH]c(=O)c4ccccc34)c2)CC1,0.0
O=C1NCCc2c(-c3ccc4[nH]ccc4c3)[nH]c3cccc1c23,0.0
Cc1c(Cc2ccc(F)c(C(=O)N3CCN(C(=O)C4([NH+]5CCCC5)CCCC4)CC3)c2)n[nH]c(=O)c1C,0.0
Cc1c(Cc2ccc(F)c(C(=O)N3CCN(C(=O)[C@@]4(C)CCC[NH2+]4)CC3)c2)n[nH]c(=O)c1C,0.0
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CCCC2)CC1,0.0
O=C(c1ccccc1)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1,0.0
COc1ccc(-n2cc(C(=O)Nc3cccc(Cc4n[nH]c(=O)c5ccccc45)c3)c(C)n2)cc1,0.0
O=C1NC(=O)c2c1c1c(c3[nH]c4ccc(-c5csc(CN[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)n5)cc4c23)CCC1,0.0
CS(=O)(=O)NCc1nc(-c2ccc3[nH]c4c5c(c6c(c4c3c2)C(=O)NC6=O)CCC5)cs1,0.0
Cc1sc(-c2ccccc2)nc1C(=O)Nc1cccc(Cc2n[nH]c(=O)c3ccccc23)c1,0.0
O=c1[nH]c2c(c3ccccc13)Cc1cc(S(=O)(=O)NCCCNN3CCOCC3)c(F)cc1-2,0.0
O=C(CCCN1CCOCC1)Nc1ccc2c(c1)Cc1c-2[nH]c(=O)c2ccccc12,0.0
O=C(CBr)c1ccc2[nH]c3c4c(c5c(c3c2c1)C(=O)NC5=O)CCC4,0.0
C[NH+](C)CC(=O)Nc1ccc2c(c1)Cc1c-2[nH]c(=O)c2ccccc12,0.0
CN1C(=O)c2c(nc(Cc3ccc(-c4ccccc4)cc3)n2Cc2ccccc2)N2C1=[NH+][C@@H]1CCC[C@@H]12,0.0
COc1ccc(-c2cnc(N3CCc4c([nH]c5ccccc45)[C@@H]3c3ccc4c(c3)OCO4)nc2)cc1OC,0.0
O=C(c1cc2ccc(O)cc2o1)N1Cc2c([nH]c3ccccc3c2=O)[C@H]1c1ccc2c(c1)OCO2,0.0
CN1C(=O)c2nc(Cc3ccc(-c4ccccc4)cc3)[nH]c2N2CC3(CCCC3)[NH+]=C12,0.0
O=C(/C=C/c1ccccc1)N1Cc2c([nH]c3ccccc3c2=O)[C@@H]1c1ccc2c(c1)OCO2,0.0
COc1ccc(N2CC(=O)N3[C@H](c4ccc5c(c4)OCO5)c4[nH]c5ccccc5c4C[C@@H]3C2=O)cc1,0.0
Oc1ccc(-c2cnc(N3CCc4c([nH]c5ccccc45)[C@H]3c3ccc4c(c3)CCO4)nc2)cc1,0.0
Cc1nn(Cc2ccncc2)c(=O)c2nc(C)n3nc(-c4ccccc4)cc3c12,0.0
O=C(c1ccc(-c2ccccn2)o1)N1CCc2c([nH]c3ccccc23)[C@H]1c1ccc2c(c1)CCO2,0.0
O=c1c2c([nH]c3ccccc13)[C@@H](c1ccc3c(c1)CCO3)N(c1ccc(-c3ccccn3)cn1)C2,0.0
CN1C(=O)c2c(nc(Cc3ccc(-c4ccccc4)cc3)n2Cc2ccccc2)N2CC3(CCCC3)[NH+]=C12,0.0
O=c1c2c([nH]c3ccccc13)[C@H](c1ccc3c(c1)OCO3)N(S(=O)(=O)/C=C/c1ccccc1)C2,0.0
O=C(c1ccc(-c2ccncc2)o1)N1Cc2c([nH]c3ccccc3c2=O)[C@H]1c1ccc2c(c1)OCO2,0.0
Cc1nn(Cc2ccccc2)c(=O)c2nc(Cc3ccncc3)n3nc(-c4ccccc4)cc3c12,0.0
CC(=O)Nc1cccc(-c2ccc(C(=O)N3CCc4c([nH]c5ccccc45)[C@@H]3c3ccc4c(c3)OCO4)o2)c1,0.0
Cc1cccc(-c2nc3c(=O)n(Cc4ccccc4)nc(C)c3c3cc(-c4ccccc4)nn23)c1,0.0
O=C(c1ccc(-c2cccnc2)o1)N1Cc2c([nH]c3ccccc3c2=O)[C@H]1c1ccc2c(c1)CCO2,0.0
O=C(c1ccc(-c2cccnc2)o1)N1Cc2c([nH]c3ccccc3c2=O)[C@H]1c1ccc2c(c1)OCO2,0.0
COc1ccc(-c2cnc(N3Cc4c([nH]c5ccccc5c4=O)[C@@H]3c3ccc4c(c3)OCO4)nc2)cc1OC,0.0
COc1ccc(-c2cnc(N3Cc4c([nH]c5ccccc5c4=O)[C@@H]3c3ccc4c(c3)OCCO4)nc2)cc1,0.0
O=c1c2c([nH]c3ccccc13)[C@H](c1ccc3c(c1)CCO3)N(c1ccc(-c3cncn3Cc3ccccc3)cn1)C2,0.0
COc1ccc(-c2cnc(N3Cc4c([nH]c5ccccc5c4=O)[C@@H]3c3ccc4c(c3)CCO4)nc2)cc1OC,0.0
Cn1cncc1-c1ccc(N2Cc3c([nH]c4ccccc4c3=O)[C@@H]2c2ccc3c(c2)CCO3)nc1,0.0
O=c1c2c([nH]c3ccccc13)[C@@H](c1ccc3c(c1)CCO3)N(c1ccc(-c3ccccn3)nc1)C2,0.0
O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc4c(c3)OCO4)N2C(=O)CN1C1CCCCC1,0.0
Cc1nn(Cc2ccccc2)c(=O)c2nc(C)n3nc(-c4cccnc4)cc3c12,0.0
O=c1c2c([nH]c3ccccc13)[C@@H](c1ccc3occc3c1)N(c1ncc(-c3ccccn3)cn1)C2,0.0
O=c1c2c([nH]c3ccccc13)[C@@H](c1ccc3c(c1)CCO3)N(c1ncc(-c3ccncc3)cn1)C2,0.0
Cc1nn(Cc2ccccc2)c(=O)c2nc(-c3cccnc3)n3nc(-c4ccccc4)cc3c12,0.0
c1ccc(-c2ccc(N3CCc4c([nH]c5ccccc45)[C@H]3c3ccc4c(c3)CCO4)nc2)nc1,0.0
Cc1ncc(-c2cnc(N3Cc4c([nH]c5ccccc5c4=O)[C@@H]3c3ccc4c(c3)CCO4)nc2)n1Cc1ccccc1,0.0
O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc4c(c3)OCO4)N2C(=O)CN1[C@@H]1CC[N@@H+](Cc2ccccc2)C1,0.0
O=c1c2c([nH]c3ccccc13)[C@H](c1ccc3c(c1)OCO3)N(C/C=C/c1ccccc1)C2,0.0
O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc4c(c3)OCO4)N2C(=O)CN1Cc1ccccc1,0.0
Cc1[nH+]cc(-c2cnc(N3Cc4c([nH]c5ccccc5c4=O)[C@@H]3c3ccc4c(c3)CCO4)nc2)n1C,0.0
O=c1c2c([nH]c3ccccc13)[C@@H](c1ccc3c(c1)CCO3)N(c1ncc(-c3cccnc3)cn1)C2,0.0
O=c1c2c([nH]c3ccccc13)[C@@H](c1ccc3c(c1)CCO3)N(c1ncc(-c3ccccn3)cn1)C2,0.0
Cc1[nH+]cc(-c2cnc(N3CCc4c([nH]c5ccccc45)[C@@H]3c3ccc4c(c3)CCO4)nc2)n1C,0.0
O=c1c2c([nH]c3ccccc13)[C@@H](c1ccc3c(c1)OCO3)N(c1ncc(-c3cccnc3)cn1)C2,0.0
CS(=O)(=O)[N-]c1ccc(-c2ccc(C(=O)N3Cc4c([nH]c5ccccc5c4=O)[C@@H]3c3ccc4c(c3)OCO4)o2)cc1,0.0
O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc4c(c3)OCO4)N2C(=O)CN1c1cccnc1,0.0
Cc1nn(Cc2ccccc2)c(=O)c2nc(-c3ccccn3)n3nc(-c4ccccc4)cc3c12,0.0
Fc1ccc(-c2[nH]c(-c3ccc(F)cc3)c3c2[C@H]2CC[C@@H]3CC2)cc1,0.0
O=C(Nc1cc(F)ccc1F)[C@H]1C(=O)N2c3ccc(F)cc3Cc3cccc1c32,0.0
Fc1ccc(-c2[nH]c(-c3ccc(F)cc3)c3c2[C@@H]2CC[C@H]3C2)cc1,0.0
COc1ccc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)c(-c3cccnc3)c(=O)o2)cc1,0.0
Fc1ccc(-c2[nH]c(-c3ccc(F)cc3)c3c2CCCC3)cc1,0.0
NS(=O)(=O)c1ccc(C2=C(c3ccc(F)cc3)c3ccccc3C2)cc1,0.0
Fc1ccc(-c2[nH]c(-c3ccc(F)cc3)c3c2CCC3)cc1,0.0
Cc1cc(/C=C/c2cccc3ccccc23)cc(C)c1O,0.0
Cc1ccc2c(c1)c(-c1ccnc3cc(Cl)ccc13)c(C)n2CC(=O)[O-],0.0
COc1ccc(-c2cc(-c3cccnc3)c(-c3ccc(S(C)(=O)=O)cc3)c(=O)o2)cc1,0.0
O=C(Nc1nccs1)c1c([O-])n2c3c(cccc13)Oc1ccccc1-2,0.0
FC(F)(F)c1cccc(Nc2ccccc2-c2nnc([S-])[nH]2)c1,0.0
COC(=O)[C@H]1CC[C@]2(C)[C@H]3CC=C4[C@@H]5CC(C)(C)CC[C@]5(C(=O)[O-])CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C,0.0
O=C(Nc1ccc(F)cc1F)[C@H]1C(=O)N2c3ccccc3Sc3cccc1c32,0.0
O=C(Nc1ccc(F)cc1F)[C@H]1C(=O)N2c3ccccc3Oc3cccc1c32,0.0
COc1ccc2c(c1)c(CC(=O)NOCc1ccccc1)c(C)n2C(=O)c1ccc(Cl)cc1,0.0
FC(F)(F)c1cccc(Nc2ccccc2-c2nnc([S-])s2)c1,0.0
CN1OCC/C(=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)S1(=O)=O,0.0
CC(C)(C)CC(=O)c1c(CC(C)(C)C(=O)[O-])n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4n3)cc12,0.0
c1ccc(-c2nn(-c3ccccc3)c3c2CCCC3)cc1,0.0
CC(C)(C)c1cc(/C=C2\OC(=O)NC2=O)cc(C(C)(C)C)c1O,0.0
O=C([O-])c1ccc2c(c1)/C(=C/Cn1cnc3cc4c(cc31)OCO4)c1ccccc1CO2,0.0
C[C@@]1(O)OC(=O)C(c2ccc3ccccc3c2)=C1c1ccc(S(C)(=O)=O)cc1,0.0
Cc1cc2ncn(C/C=C3\c4ccccc4COc4ccc(C(=O)[O-])cc43)c2cc1C,0.0
O=C([O-])c1ccc2c(c1)/C(=C/Cn1cnc3ccc(C(=O)NCc4ccccc4)cc31)c1ccccc1CO2,0.0
Cc1cc(-c2cc(F)c(F)cc2-c2ccc(S(N)(=O)=O)cc2)ccc1F,0.0
Fc1ccc(-c2[nH]c(-c3ccc(F)cc3)c3c2[C@H]2CC[C@@H]3CC2)cc1,0.0
Fc1ccc(-c2[nH]c(-c3ccc(F)cc3)c3c2[C@@H]2C=C[C@H]3C2)cc1,0.0
C[C@@H]1C[C@@H]2O[C@@H]2/C=C\C=C\C(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1,0.0
O=C(Nc1cc(F)ccc1F)[C@H]1C(=O)N2c3ccc(F)cc3Cc3cccc1c32,0.0
Fc1ccc(-c2[nH]c(-c3ccc(F)cc3)c3c2[C@@H]2CC[C@H]3C2)cc1,0.0
C1=C[C@H]2CC[C@@H]1c1c(-c3ccccc3)[nH]c(-c3ccccc3)c12,0.0
COc1ccc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)c(-c3ccncc3)c(=O)o2)cc1,0.0
COc1ccc2c(c1)c(Cc1nc(-c3ccc4ccccc4c3)cs1)c(C)n2C(=O)c1ccc(Cl)cc1,0.0
Cc1cnc(NC(=O)c2c([O-])n3c4c(cc(F)cc24)Cc2cc(F)ccc2-3)s1,0.0
O=C([O-])Cc1ccc2c(c1)/C(=C/C[N@H+]1CC[C@H](Cc3ccccc3)CC1)c1ccccc1CO2,0.0
O=C([O-])c1ccc2c(c1)[C@H](SCC[N@H+]1CC[C@H](c3ccccc3)CC1)c1ccccc1CO2,0.0
O=C([O-])c1ccc2c(c1)[C@H](SCC[N@@H+]1CCc3ccccc3C1)c1ccccc1CO2,0.0
O=c1c2ccccc2nc2n1CCc1c-2[nH]c2ccccc12,0.0
Fc1ccc(-c2[nH]c(-c3ccc(-n4ccnc4)cc3)c3c2CCCC3)cc1,0.0
CC1(C)OC(=O)C(Oc2ccc3ccccc3n2)=C1c1ccc(S(C)(=O)=O)cc1,0.0
COc1ccc(-c2cc(-c3ccccc3)c(-c3ccc(S(C)(=O)=O)cc3)c(=O)o2)cc1,0.0
CS(=O)(=O)c1ccc(-c2cnc(C(=O)c3ccccc3)n2-c2ccc(F)cc2)cc1,0.0
NS(=O)(=O)c1ccc(C2=C(c3ccc(F)cc3)c3ccccc3C2)cc1,0.0
c1ccc(-c2cn3c(c2-c2ccccc2)CCC3)cc1,0.0
CS(=O)(=O)c1ccc(-c2cnc(Cc3ccccc3)[n+]([O-])c2-c2ccc(F)cc2)cc1,0.0
COc1ccc(C2=C(c3ccc4c(c3)oc(=O)n4C)COC2=O)cc1,0.0
CC(C)(C)c1cc(C(=O)c2ccccc2)cc2c1OCC2(C)C,0.0
CS(=O)(=O)c1ccc(-c2cnn(CC3CCCCC3)c(=O)c2-c2ccc(F)cc2)cc1,0.0
CS(=O)(=O)c1ccc(-c2cnn(-c3ccccc3)c(=O)c2-c2ccccc2)cc1,0.0
Cc1ccc2c(-c3ccccc3)nc(=O)n(C(C)C)c2c1,0.0
Cc1cc(NC(=O)[C@H]2C(=O)N3c4ccccc4Oc4cccc2c43)no1,0.0
C1=CCc2c(-c3ccccc3)[nH]c(-c3ccccc3)c2C1,0.0
COc1ccc2c(c1)c(CC(=O)NCc1ccc(C)cc1)c(C)n2C(=O)c1ccc(Cl)cc1,0.0
CS(=O)(=O)c1ccc(-c2ccc3c(c2-c2ccc(F)cc2)OCO3)cc1,0.0
C[C@@H](Oc1cc(-n2cnc3cc(-c4ccnc(N[C@H]5CC[N@H+](C)CC5)n4)ccc32)sc1C(N)=O)c1ccccc1Cl,0.0
C[C@@H](Nc1cc2c(-c3ccc4c(c3)OCO4)noc2cn1)c1ccccc1,0.0
C[C@@H](Oc1cc(-n2cnc3cc(-c4ccnc(N5CC[NH+](C)CC5)c4)ccc32)sc1C(N)=O)c1ccccc1Cl,0.0
C[C@@H](Oc1cc(-n2cnc3cc(-c4ccc(N[C@H]5CC[N@H+](C)CC5)nc4)ccc32)sc1C(N)=O)c1ccccc1Cl,0.0
C[C@@H](Oc1cc(-n2cnc3cc(-c4cc[nH+]c(N5CCOCC5)c4)ccc32)sc1C(N)=O)c1ccccc1C(F)(F)F,0.0
C[C@@H](Oc1cc(-n2cnc3cc(-c4ccnc(N5CC[NH2+]CC5)c4)ccc32)sc1C(N)=O)c1ccccc1Cl,0.0
C[C@@H](Oc1cc(-n2cnc3cc(-c4ccccc4)ccc32)sc1C(N)=O)c1ccccc1C(F)(F)F,0.0
C[C@@H](Nc1cc2c(-c3cc(Cl)cc(CCCO)c3)noc2cn1)c1ccccc1,0.0
C[C@@H](Oc1cc(-n2cnc3cc(-c4ccccn4)ccc32)sc1C(N)=O)c1ccccc1C(F)(F)F,0.0
C[C@@H](Oc1cc(-n2cnc3cc(-c4cnc(N)nc4)ccc32)sc1C(N)=O)c1ccccc1C(F)(F)F,0.0
C[C@@H](Oc1cc(-n2cnc3ccc(-c4ccccc4)cc32)sc1C(N)=O)c1ccccc1C(F)(F)F,0.0
C[C@@H](Oc1cc(-n2cnc3cc(-c4cc[nH+]c(N[C@H]5CC[N@H+](C)CC5)c4)ccc32)sc1C(N)=O)c1ccccc1Cl,0.0
C[C@@H](Oc1cc(-n2cnc3cc(-c4cccnc4)ccc32)sc1C(N)=O)c1ccccc1C(F)(F)F,0.0
C[C@@H](Oc1cc(-n2cnc3cc(-c4ccnc(N)n4)ccc32)sc1C(N)=O)c1ccccc1C(F)(F)F,0.0
C[C@@H](Oc1cc(-n2cnc3cc(-c4ccc[nH]4)ccc32)sc1C(N)=O)c1ccccc1C(F)(F)F,0.0
Cc1ccccc1Nc1ncc2c(n1)-c1c(c(C(N)=O)nn1C)CC2,0.0
C[C@@H](Oc1cc(-n2cnc3cc(-c4cccs4)ccc32)sc1C(N)=O)c1ccccc1C(F)(F)F,0.0
C[C@@H](Oc1cc(-n2cnc3cc(-c4cnn(C)c4)ccc32)sc1C(N)=O)c1ccccc1C(F)(F)F,0.0
C[C@@H](Oc1cc(-n2cnc3ccc(-c4cnn(C)c4)cc32)sc1C(N)=O)c1ccccc1Cl,0.0
C[C@@H](Oc1cc(-n2cnc3ccc(-c4ccncc4)cc32)sc1C(N)=O)c1ccccc1Cl,0.0
C[C@@H](Oc1cc(-n2cnc3cc(-c4ccncc4)ccc32)sc1C(N)=O)c1ccccc1C(F)(F)F,0.0
C[C@@H](Oc1cc(-n2cnc3cc(-c4cnn(CCN5CC[NH+](C)CC5)c4)ccc32)sc1C(N)=O)c1ccccc1Cl,0.0
C[C@H](Oc1cc(-n2cnc3ccc(OC[C@@H](O)C[NH+]4CCCC4)cc32)sc1C(N)=O)c1ccccc1Cl,0.0
COc1ccc(Nc2ncc3c(n2)-c2ccc(OC)cc2NC(=O)C3)cc1,0.0
C[C@@H](Oc1cc(-n2cnc3cc(-c4cnn(CCN5CCOCC5)c4)ccc32)sc1C(N)=O)c1ccccc1Cl,0.0
C[C@@H](Oc1cc(-n2cnc3cc(-c4cn[nH]c4)ccc32)sc1C(N)=O)c1ccccc1C(F)(F)F,0.0
CC(=O)Nc1ccccc1-c1cc(Cl)cc(-n2nc(C)c3cnc(N[C@@H](C)c4ccccc4)cc32)c1,0.0
C[C@@H](Oc1cc(-n2cnc3cc(-c4ccncc4)ccc32)sc1C(N)=O)c1ccccc1Cl,0.0
C[C@H](Oc1cc(-n2cnc3ccc(O[C@@H]4CCC[N@@H+](C)CC4)cc32)sc1C(N)=O)c1ccccc1Cl,0.0
C[C@H](Oc1cc(-c2cnc3ccccn23)sc1C(N)=O)c1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1Cl,0.0
CC(=O)c1cc(N2CC[NH+](C)CC2)ccc1Nc1ncc2c(n1)-c1c(c(C(N)=O)nn1C)CC2,0.0
C[C@@H](Oc1cc(-n2cnc3ccc(-c4cccnc4)cc32)sc1C(N)=O)c1ccccc1C(F)(F)F,0.0
NC(=O)c1nn(C2CCCCC2)c2c1CCc1cnc(Nc3ccccc3)nc1-2,0.0
C[C@H](Oc1cc(-n2cnc3ccc(OC[C@H]4CC[N@H+](C)CC4)cc32)sc1C(N)=O)c1ccccc1C(F)(F)F,0.0
C[C@H](Oc1cc(-n2cnc3ccc(O[C@H]4CC[N@H+](C)CC4)cc32)sc1C(N)=O)c1ccccc1C(F)(F)F,0.0
COc1cc(Nc2ncc3c(C)nc(-c4cccc(C(F)(F)F)c4)n3n2)cc(OC)c1OC,0.0
C[C@H](Oc1cc(-n2cnc3ccc(OC[C@H]4CC[N@H+](C)CC4)cc32)sc1C(N)=O)c1ccccc1Cl,0.0
COc1cc2ncn(-c3cc(O[C@@H](C)c4ccccc4Cl)c(C(N)=O)s3)c2cc1OC,0.0
Cn1nc(C(N)=O)c2c1-c1nc(Nc3ccccc3Oc3ccccc3)ncc1CC2,0.0
C[C@H](Oc1cc(-n2cnc3ccc(O[C@H]4CC[N@H+](C)CC4)cc32)sc1C(N)=O)c1ccccc1Cl,0.0
C[C@@H](Oc1cc(-n2cnc3ccc(-c4ccncc4)cc32)sc1C(N)=O)c1ccccc1C(F)(F)F,0.0
C[C@H](Oc1cc(-c2cnc3ccccn23)sc1C(N)=O)c1ccc(CO)cc1Cl,0.0
Cn1nc(C(N)=O)c2c1-c1nc(Nc3ccccc3Nc3ccccc3)ncc1CC2,0.0
COc1ccc2ncn(-c3cc(O[C@@H](C)c4ccccc4Cl)c(C(N)=O)s3)c2c1,0.0
Nc1nc2c(C[C@H]3[C@@H]4C[C@H]5C[C@@H](C4)C[C@@H]3C5)c[nH]c2c(=O)[nH]1,0.0
Nc1nc2c(Cc3ccc(-c4ccccc4)cc3)c[nH]c2c(=O)[nH]1,0.0
Nc1nc2c(Cc3cccc(Oc4ccccc4)c3)c[nH]c2c(=O)[nH]1,0.0
Nc1nc2c(Cc3cccc(OCc4ccccc4)c3)c[nH]c2c(=O)[nH]1,0.0
Nc1nc2c(ncn2Cc2ccccc2[C@@H](F)C(F)(F)P(=O)([O-])[O-])c(=O)[nH]1,0.0
Nc1nc2c(C[C@@H]3CCC[C@@H](C(F)(F)F)C3)c[nH]c2c(=O)[nH]1,0.0
Nc1nc2c(CC3CCCCCC3)c[nH]c2c(=O)[nH]1,0.0
Nc1nc2c(ncn2Cc2ccccc2/C=C/[P@@](=O)([O-])O)c(=O)[nH]1,0.0
O=c1[nH]cnc2c(Cc3cccc(OCc4ccccc4)c3)c[nH]c12,0.0
Nc1nc2c(Cc3cccc(Cl)c3)c[nH]c2c(=O)[nH]1,0.0
Nc1nc2c(c(=O)[nH]1)N=C(Cc1ccccc1)C2,0.0
Nc1nc2c(Cc3ccc(OCc4ccccc4)cc3)c[nH]c2c(=O)[nH]1,0.0
Nc1nc2c(Cc3cccc(O)c3)c[nH]c2c(=O)[nH]1,0.0
O=c1[nH]cnc2c([C@@H]3N[C@H](CSc4ccccc4)[C@@H](O)[C@H]3O)c[nH]c12,0.0
C[C@@H]1CCC[C@@H](Cc2c[nH]c3c(=O)[nH]c(N)nc23)C1,0.0
N#CC[C@@H](c1cccc(Cl)c1)c1c[nH]c2c(=O)[nH]cnc12,0.0
Nc1nc2c(Cc3ccccc3)c[nH]c2c(=O)[nH]1,0.0
Nc1nc2c(C3=CCCCC3)c[nH]c2c(=O)[nH]1,0.0
O=c1[nH]cnc2c(CN(Cc3ccccc3)C[C@H](O)CO)c[nH]c12,0.0
Nc1nc2c(ncn2CC[C@@H]2C[C@H]2C(F)(F)P(=O)([O-])[O-])c(=O)[nH]1,0.0
Nc1nc2c(Cc3cnccc3Cl)c[nH]c2c(=O)[nH]1,0.0
O=c1[nH]cnc2c1ncn2C[C@H]1COC[C@@H]1CC(F)(F)P(=O)([O-])[O-],0.0
Nc1nc2c(c(=O)[nH]1)N/C(=[NH+]\Cc1ccccc1)C2,0.0
Nc1nc([O-])c2[nH]cc(Cc3cccnc3)c2n1,0.0
Nc1nc2c(Cc3ccc(Cl)cc3)c[nH]c2c(=O)[nH]1,0.0
Nc1nc2[nH]c(Cc3ccccc3)nc2c(=O)[nH]1,0.0
Nc1nc2c(C[N@@H+]3C[C@H](CO)[C@@H](O)C3)c[nH]c2c(=O)[nH]1,0.0
Nc1nc(=O)c2[nH]cc([C@@H]3N[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1,0.0
Nc1nc2c([C@H]3N[C@H](CO)[C@H](O)[C@@H]3O)c[nH]c2c(=O)[nH]1,0.0
Nc1nc2c(ncn2CCCCC(F)(F)P(=O)([O-])[O-])c(=O)[nH]1,0.0
Nc1nc2c(CC3CCCC3)c[nH]c2c(=O)[nH]1,0.0
Nc1nc2c(Oc3ccccc3)c[nH]c2c(=O)[nH]1,0.0
O=c1[nH]cnc2c(Cc3ccccc3)c[nH]c12,0.0
O=c1[nH]cnc2c1ncn2CC[C@@H]1C[C@H]1C(F)(F)P(=O)([O-])[O-],0.0
Nc1nc2c(nc(N)n2Cc2cccs2)c(=O)[nH]1,0.0
Nc1nc2c(C[C@@H]3CCCS3)c[nH]c2c(=O)[nH]1,0.0
Nc1nc2c(Cc3ccco3)c[nH]c2c(=O)[nH]1,0.0
Nc1nc2c(C[C@@H]3CCCSS3)c[nH]c2c(=O)[nH]1,0.0
Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CCOc1ccc(C[C@H](OCC(F)(F)F)C(=O)[O-])c2ccccc12,0.0
Cc1oc(-c2ccccc2)nc1CCOc1cccc(Cc2cn(-c3ccccc3)cc2C(=O)[O-])c1,0.0
CCCc1cc(C(=O)c2ccc3ccccc3c2)ccc1OCCCn1ccc2cc(OC(C)(C)C(=O)[O-])ccc21,0.0
Cc1cc(CNC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)n(C)n2)ccc1OC(C)(C)C(=O)[O-],0.0
Cc1oc(-c2ccccc2)nc1CCOc1cccc(Cc2nn(-c3ccccc3)cc2C(=O)[O-])c1,0.0
Cc1oc(-c2cccc(-c3ccccc3)c2)nc1CCOc1ccc(C[C@@](C)(Oc2ccccc2)C(=O)[O-])cc1,0.0
Cc1oc(-c2ccccc2)nc1CCCc1ccc(C[C@@H](C(=O)[O-])c2cccc(-c3ccccc3)c2)cc1,0.0
Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[N@@H+](CC(=O)[O-])Cc2cccc3ccccc23)cc1,0.0
Cc1oc(-c2ccccc2)nc1CCOc1cccc(CC2=CN(C(=O)OCc3ccccc3)CC[C@@H]2C(=O)[O-])c1,0.0
Cc1cc(Oc2cccc(CNC(=O)c3ccc(C(F)(F)F)cc3Oc3ccccc3)c2)ccc1OC(C)(C)C(=O)[O-],0.0
COC(=O)[C@H]1Cc2ccc(OCCc3nc(-c4ccc(-c5ccccc5)cc4)oc3C)cc2OC1=O,0.0
Cc1oc(-c2ccccc2)nc1CCOc1cccc(Cc2cn(-c3ccccc3)nc2C(=O)[O-])c1,0.0
Cc1oc(-c2ccccc2)nc1CCOc1cccc(C[C@H]2C=[N+](c3nccc(C(F)(F)F)n3)CC[C@@H]2C(=O)[O-])c1,0.0
Cc1oc(-c2ccccc2)nc1CCOc1ccc(Cc2cn(-c3ccccc3)cc2C(=O)[O-])cc1,0.0
Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[N@@H+](CC(=O)[O-])Cc2ccc(-c3ccccc3Cl)o2)cc1,0.0
Cc1oc(-c2ccccc2)nc1CCOc1ccc(Cc2nn(-c3ccccc3)cc2C(=O)[O-])cc1,0.0
C[C@]1(C(=O)[O-])CCc2ccc(OCCCOc3ccc(C4CCCCC4)cc3Cl)cc2O1,0.0
CCCc1cc(-c2noc3ccccc23)ccc1OCCCOc1cccc([C@H]2SC(=O)NC2=O)c1,0.0
Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CCOc1ccc(OC(C)(C)C(=O)[O-])cc1,0.0
CCCc1c(OCCCn2ccc3cc(OC(C)(C)C(=O)[O-])ccc32)ccc2c(C(=O)c3ccccc3)cccc12,0.0
Cc1oc(-c2ccccc2)nc1CCOc1cccc(Cc2nn(-c3ccccc3)nc2CC(=O)[O-])c1,0.0
Cc1oc(-c2ccccc2)nc1CCOc1cccc(-c2nn(-c3ccccc3)nc2CC(=O)[O-])c1,0.0
Cc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2F)cc1Oc1ccc(OC(C)(C)C(=O)[O-])c(C)c1,0.0
CCCc1c(OCCCOc2ccc3c(ccn3CC(=O)[O-])c2)ccc2cc(C(=O)c3ccccc3)ccc12,0.0
Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CCOc1ccc(CCC(=O)[O-])c(CNC(=O)Oc2cnccn2)c1,0.0
Cc1sc(-c2ccc(C(C)C)cc2)nc1CCOc1ccc2c(c1)CC[C@H]2CC(=O)[O-],0.0
CC[C@@H](C(=O)[O-])[C@@H]1CCc2cc(OCCc3nc(-c4ccc5c(c4)OCC5)oc3C)ccc21,0.0
CC[C@@H](C(=O)[O-])[C@@H]1CCc2cc(OCCc3nc(-c4ccc5ccccc5c4)oc3C)ccc21,0.0
O=C([O-])[C@H](Cc1ccc(-c2ccccc2)cc1)Oc1ccc(Cl)cc1,0.0
CC[C@@H](C(=O)[O-])[C@@H]1CCc2cc(OCCc3nc(-c4ccccc4)oc3C)c(-c3ccc(OC)cc3)cc21,0.0
CC[C@@H](C(=O)[O-])[C@@H]1CCc2cc(OCCc3nc(-c4cccc5ccccc45)oc3C)ccc21,0.0
Cc1ccc(OC(=O)N(CC(=O)[O-])Cc2cccc(OCc3nc(-c4ccc(N5CCOCC5)cc4)oc3C)c2)cc1,0.0
C/C(=N\OCc1ccc(F)cc1)[C@@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)C(=O)[O-],0.0
CC(C)(Sc1ccc(CCN(CCc2ccc(-c3ccccc3)cc2)C(=O)NC2CCCCC2)cc1)C(=O)[O-],0.0
Cc1oc(-c2ccccc2)nc1CCOc1cccc(C[N@@H+](CC(=O)[O-])Cc2cccc3ccccc23)c1,0.0
Cc1ccc(OC(=O)N(CC(=O)[O-])Cc2cccc(OCc3nc(-c4ccc(Cl)cc4)sc3C)c2)cc1,0.0
Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H](C(=O)[O-])[NH+]2CCN(S(=O)(=O)c3ccccc3F)CC2)cc1,0.0
O=C([O-])Cc1ccc(CNc2cccc(-c3c(Cc4ccccc4)cnc4c(Cl)cccc34)c2)cc1,0.0
CCc1cc(Oc2cc(F)cc([C@@H](C)NC(=O)c3sc4ccc(Cl)cc4c3C)c2)ccc1CCC(=O)[O-],0.0
CCc1cc(Oc2cc(F)cc([C@@H](C)NC(=O)c3c(C)c4cc(Cl)ccc4n3C)c2)ccc1CCC(=O)[O-],0.0
Cc1cc(OCc2cc(-c3ccc(-c4ccccc4)cc3)cc(-c3ccc(C(F)(F)F)cc3)c2)ccc1OCC(=O)[O-],0.0
Cc1cc(Oc2cccc(CNC(=O)c3ccc(C(F)(F)F)cc3Oc3ccccc3)c2)ccc1OC(C)(C)C(=O)[O-],0.0
O=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc(-c2ccccc2)cc1,0.0
Cc1cc(OCc2nc(-c3ccc(-c4ccccc4)cc3)c(-c3ccc(-c4ccccc4)cc3)s2)ccc1OCC(=O)[O-],0.0
Cc1cc(OCc2nc(-c3cccnc3)c(-c3ccc(-c4ccccc4)cc3)o2)ccc1OCC(=O)[O-],0.0
CCCc1cc(C2CCCCC2)ccc1OCCCOc1cccc([C@H]2OC(=O)NC2=O)c1,0.0
Cc1cc(OCc2cc(-c3ccc(C(F)(F)F)cc3)cc(-c3ccc(C(F)(F)F)cc3)c2)ccc1OCC(=O)[O-],0.0
CCCc1cc(-c2noc3ccccc23)ccc1OCCCOc1cccc([C@H]2SC(=O)NC2=O)c1,0.0
COc1ccc(-c2nc(COc3ccc(OCC(=O)[O-])c(C)c3)sc2-c2cc3ccccc3o2)cc1,0.0
COc1ccc(-c2nc(COc3ccc4c(CC(=O)[O-])cccc4c3)sc2-c2ccc(C(F)(F)F)cc2)cc1,0.0
CCCc1c(OCCCOc2ccc3c(ccn3CC(=O)[O-])c2)ccc2cc(C(=O)c3ccccc3)ccc12,0.0
COc1ccc(-c2nc(COc3ccc(OCC(=O)[O-])c(C)c3)oc2-c2ccc(-c3ccccc3)cc2)cc1,0.0
COc1ccc(-c2nc(COc3ccc(OCC(=O)[O-])c(C)c3)sc2-c2cnc3ccccc3c2)cc1,0.0
Cc1cc(CCc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OCC(=O)[O-],0.0
COc1ccc(-c2nc(COc3ccc(OCC(=O)[O-])c(C)c3)sc2-c2ccc3ccccc3c2)cc1,0.0
CC(C)(Oc1ccc(CCN(C(=O)Nc2ccc(F)cc2F)C2CCCCCC2)cc1)C(=O)[O-],0.0
Cc1cc(OCc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1/C=C/C(=O)[O-],0.0
Cc1cc(OCc2nc(-c3ccc(-c4ccccc4)cc3)c(-c3ccc(OC(F)(F)F)cc3)s2)ccc1OCC(=O)[O-],0.0
COc1ccc(-c2nc(COc3ccc(OCC(=O)[O-])c(C)c3)oc2-c2cnc3ccccc3c2)cc1,0.0
Cc1cc(OCc2nc(-c3ccc(N4CCOCC4)cc3)c(-c3ccc(-c4ccccc4)cc3)s2)ccc1OCC(=O)[O-],0.0
CCCc1c(OCCCOc2ccc3c(ccn3CC(=O)[O-])c2)ccc2c(-c3ccccc3)noc12,0.0
CC[C@H](Cc1ccc(OC)c(CCCc2ccc(C(F)(F)F)cc2)c1)C(=O)[O-],0.0
COc1ccc(-c2nc(COc3ccc4c(ccn4CC(=O)[O-])c3)sc2-c2ccc(C(F)(F)F)cc2)cc1,0.0
Cc1ccc(NC(=O)c2cccc(S(=O)(=O)n3ccc4cccc(C)c43)c2)c(C(=O)[O-])c1,0.0
Cc1cc(OCc2cc(-c3ccc(C(F)(F)F)cc3)nc(-c3ccc(C(F)(F)F)cc3)n2)ccc1OCC(=O)[O-],0.0
O=C([O-])Cn1ccc2cc(OCc3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)ccc21,0.0
CCO[C@@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)c2ccccc12)C(=O)[O-],0.0
O=C([O-])Cc1ccc(COc2cccc(-c3c(Cc4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)cc1,0.0
Cc1cc(OCC[C@@H](C)Oc2ccc(Cl)cc2-c2ccccn2)ccc1CCC(=O)[O-],0.0
Cc1cc(OCc2nc(-c3ccc4c(c3)OCCCO4)c(-c3ccc(OC(F)(F)F)cc3)s2)ccc1OCC(=O)[O-],0.0
Cc1cc(OCc2nc(-c3ccc(-c4ccccc4)cc3)cs2)ccc1OCC(=O)[O-],0.0
Cc1cc(OCc2nc(-c3ccc(N4CCCCC4)cc3)c(-c3ccc(OC(F)(F)F)cc3)s2)ccc1OCC(=O)[O-],0.0
O=C([O-])Cn1ccc2cc(OCc3cc(-c4ccc(C(F)(F)F)cc4)on3)ccc21,0.0
COc1cc(-c2nc3ccccc3s2)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)[O-],0.0
Cc1cc(OCc2nc(-c3ccc(C(F)(F)F)cc3)cc(-c3ccc(C(F)(F)F)cc3)n2)ccc1OCC(=O)[O-],0.0
CCCCOc1ccc(-c2cccc(C(=O)[O-])c2C)cc1CNC(=O)c1ccc(C(F)(F)F)cc1F,0.0
Cc1cnc2c(C(F)(F)F)cccc2c1-c1cccc(CNc2cccc3c(CC(=O)[O-])cccc23)c1,0.0
Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CCOc1ccc(C[C@H](OCC(F)(F)F)C(=O)[O-])c2ccccc12,0.0
O=S(=O)(/N=C(\[O-])c1cc2ccccc2n1Cc1cccc(C(F)(F)F)c1)c1ccc2ccccc2c1,0.0
O=C([O-])CC1=C/C(=C\c2ccc(F)c3ccccc23)c2ccc(F)cc21,0.0
O=C([O-])Cc1ccc(CNc2cccc(-c3c(Cc4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)cc1,0.0
Cc1cc(Oc2cccc(CNC(=O)c3cc4cc(Br)ccc4[nH]3)c2)ccc1CCC(=O)[O-],0.0
Cc1oc(-c2ccccc2)nc1CCOc1cccc(Cc2cn(-c3ccccc3)cc2C(=O)[O-])c1,0.0
CCCc1cc(C(=O)c2ccc3ccccc3c2)ccc1OCCCn1ccc2cc(OC(C)(C)C(=O)[O-])ccc21,0.0
CO[C@H]1Oc2cc(O)c3c(c2C(=O)N1C(=O)NCc1cccc2ccccc12)OC1=CC([O-])=C(C(C)=O)C(=O)[C@]13C,0.0
Cc1c(CCOc2ccc3c(c2)CC[C@H]3CC(=O)[O-])[nH+]c(-c2ccc(-c3ccccc3)cc2)n1C,0.0
Cc1cc(CNC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)n(C)n2)ccc1OC(C)(C)C(=O)[O-],0.0
CCc1cc(Oc2cc(F)cc([C@@H](C)NC(=O)c3sc4ccc(Cl)cc4c3C)c2)ccc1CCC(=O)[O-],0.0
Cc1oc(-c2ccccc2)nc1CCOc1cccc(Cc2nn(-c3ccccc3)cc2C(=O)[O-])c1,0.0
Cc1oc(-c2cccc(-c3ccccc3)c2)nc1CCOc1ccc(C[C@@](C)(Oc2ccccc2)C(=O)[O-])cc1,0.0
Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CCOc1ccc2c(c1)CC[C@H]2CC(=O)[O-],0.0
Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[N@@H+](CC(=O)[O-])Cc2cccc3ccccc23)cc1,0.0
CCCc1nc2cc3ccccc3cc2n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1,0.0
C/C(=N\OCCOc1ccc(C[C@H]2SC(=O)NC2=O)cc1)c1cccc(-c2ccccc2)c1,0.0
Cc1oc(-c2ccccc2)nc1CCOc1cccc(CC2=CN(C(=O)OCc3ccccc3)CC[C@@H]2C(=O)[O-])c1,0.0
Cc1cc(Oc2cccc(CNC(=O)c3ccc(C(F)(F)F)cc3Oc3ccccc3)c2)ccc1OC(C)(C)C(=O)[O-],0.0
CCCc1c(OCCCN2CCCc3c(OC(C)(C)C(=O)[O-])cccc32)ccc2cc(C(=O)c3ccccc3)ccc12,0.0
Cc1sc(-c2ccc(-c3ccccc3)cc2)nc1CCOc1ccc2c(c1)CC[C@H]2CC(=O)[O-],0.0
Cc1oc(-c2ccccc2)nc1CCOc1cccc(C[C@H]2C(=O)N(c3ccc(F)cc3)[C@@H]2C(=O)[O-])c1,0.0
Cc1oc(-c2ccccc2)nc1CCOc1cccc(Cc2cn(-c3ccccc3)nc2C(=O)[O-])c1,0.0
Cc1oc(-c2ccccc2)nc1CCOc1cccc(C[C@H]2C=[N+](c3nccc(C(F)(F)F)n3)CC[C@@H]2C(=O)[O-])c1,0.0
CC[C@@H](NC(=O)c1ccc2cc(C)n(Cc3ccc(-c4ccccc4C(=O)[O-])cc3)c2c1)c1ccccc1,0.0
Cc1ccc(OC(=O)N(CC(=O)[O-])Cc2cccc(OCc3nc(-c4ccc(C(C)(C)C)cc4)oc3C)c2)cc1,0.0
Cc1oc(-c2ccc3ccccc3c2)nc1COc1ccc(CCC[C@H]2OC(=O)NC2=O)cc1,0.0
Cc1[nH+]c(-c2ccc(-c3ccccc3)cc2)n(C)c1CCOc1ccc2c(c1)CC[C@H]2CC(=O)[O-],0.0
Cc1cc2c(cc1C1(c3ccc(C(=O)[O-])cn3)CC1)C(C)(C)CCC2(C)C,0.0
Cc1oc(-c2ccccc2)nc1CCOc1ccc(Cc2cn(-c3ccccc3)cc2C(=O)[O-])cc1,0.0
Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[N@@H+](CC(=O)[O-])Cc2ccc(-c3ccccc3Cl)o2)cc1,0.0
Cc1oc(-c2ccccc2)nc1CCOc1ccc(-c2nn(-c3ccccc3)nc2CC(=O)[O-])cc1,0.0
Cc1oc(-c2ccccc2)nc1CCOc1ccc(Cc2nn(-c3ccccc3)cc2C(=O)[O-])cc1,0.0
N#Cc1cccc(-c2ccc3c(c2)C2(CCCCC2)OC(=S)N3)c1,0.0
CC1=CC(C)(C)Nc2ccc3c(c21)COc1ccc(-c2ccccc2)cc1-3,0.0
N#Cc1cccc(-c2ccc3c(c2)C2(CCCCC2)C(=S)N3)c1,0.0
C[C@@H]1CC(C)(C)Nc2ccc3c(c21)COc1c(F)cc(F)cc1-3,0.0
CC1(C)OC(=O)Nc2ccc(-c3cc(F)cc(Cl)c3)cc21,0.0
N#Cc1cccc(-c2ccc3c(c2)C2(CCCCC2)C(=O)N3)c1,0.0
N#Cc1cc(F)cc(-c2ccc3c(c2)C2(CCCC2)C(=O)N3)c1,0.0
C[C@@]1(Cc2ccccc2)C(=O)Nc2ccc(-c3cccc(Cl)c3)cc21,0.0
N#Cc1cc(F)cc(-c2ccc3c(c2)C2(CCCCC2)C(=S)N3)c1,0.0
Cc1cc(-c2cccc3cc[nH]c23)c(Cl)c2c1NC(C)(C)C[C@@H]2C,0.0
C[C@@]1(Cc2ccccc2)OC(=S)Nc2ccc(-c3cccc(Cl)c3)cc21,0.0
N#Cc1cc(F)cc(-c2ccc3[nH]c(=O)n(C4CCCCC4)c3c2)c1,0.0
Cc1cc(-c2cccc3[nH]ccc23)c(Cl)c2c1NC(C)(C)C[C@@H]2C,0.0
N#Cc1cc(F)cc(-c2ccc3[nH]c(=O)n(C4CCCC4)c3c2)c1,0.0
N#Cc1ccc(-c2ccc3c(c2)C2(CCCCC2)OCC(=O)N3)[nH]1,0.0
N#Cc1cc(F)cc(-c2ccc3[nH]c(=O)n(-c4ccccc4)c3c2)c1,0.0
S=C1Nc2ccc(-c3cccc(Cl)c3)cc2C12CCCC2,0.0
CC1=CC(C)(C)Nc2ccc3c(c21)Cc1ccccc1-3,0.0
O=[N+]([O-])c1cccc(-c2ccc3[nH]c(=S)n(Cc4ccccc4)c3c2)c1,0.0
CC1(C)OCC(=O)Nc2ccc(-c3cccc(F)c3)cc21,0.0
CC(C)(C[C@](O)(Cc1ccc2ccccc2c1)C(=O)Nc1ccc2c(c1)COC2=O)c1ccccc1,0.0
Fc1ccc(-c2ccc3[nH]c(=S)n(C4CCCC4)c3c2)cc1Cl,0.0
O=C1Nc2ccc(-c3cccc(Cl)c3)cc2C12CCC2,0.0
C[C@]12Cn3c[nH+]c(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@](C)(O)c1ccc(Cl)cc1,0.0
CC1(C)CC(=O)c2ccc(-c3cccc(Cl)c3)cc21,0.0
Cc1noc(=O)c2ccc(NC(=O)[C@](O)(CC(C)(C)c3cccc4c3OCC4)C(F)(F)F)cc12,0.0
C[C@@]1(c2cccs2)OCC(=O)Nc2ccc(-c3ccc(F)c(Cl)c3)cc21,0.0
CC1(C)O[C@H](c2ccccc2)Nc2ccc(-c3cc(F)cc(C#N)c3)cc21,0.0
Cc1cc(-c2c[nH]c3ccccc23)c(Cl)c2c1NC(C)(C)C[C@@H]2C,0.0
CC1(C)C(=O)Nc2ccc(-c3cc(F)cc(C#N)c3)cc21,0.0
S=C1Nc2ccc(-c3cccc(Cl)c3)cc2C12CCC2,0.0
Cc1cc(-c2cc3ccccc3[nH]2)c(Cl)c2c1NC(C)(C)C[C@@H]2C,0.0
N#Cc1cc(F)cc(-c2ccc3[nH]c(=O)n(C4CCC4)c3c2)c1,0.0
CC1=CC(C)(C)Nc2ccc(-c3cc(F)cc([N+](=O)[O-])c3)cc21,0.0
O=Cc1nn(-c2ccc(F)cc2)c2c1CCC[C@H]2Cc1cccc2ccccc12,0.0
CN(c1ccccc1)S(=O)(=O)c1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c(C(F)(F)F)c1,0.0
CC1(C)O[C@H](c2cccs2)Nc2ccc(-c3cc(F)cc(C#N)c3)cc21,0.0
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C(=S)Nc4ccc(Cl)cc4)cc3)C[C@@]21C,0.0
O=C1Nc2ccc(-c3cccc(Cl)c3)cc2C12CC2,0.0
O=C(c1ccccc1)c1oc2ccccc2c1-c1ccc(-c2ccc(O)cc2)cc1,0.0
O=C([O-])c1ccc(S(=O)(=O)Oc2ccc(-c3ccc(-c4coc5ccccc45)cc3)cc2)cc1O,0.0
O=C([O-])c1ccc(-c2ccc(Cc3c(-c4ccc(O)cc4)oc4ccccc4c3=O)cc2)cc1O,0.0
O=S(=O)(N[C@H](Cc1ccc([C@@H]2CC([O-])=NS2(=O)=O)cc1)c1nc2ccccc2[nH]1)c1ccc(-c2ccccc2)cc1,0.0
O=C([O-])CCCOc1ccc(-c2ccc(-c3c(Cc4ccccc4)sc4ccccc34)cc2)cc1Br,0.0
O=C([O-])c1ccccc1C(=O)Nc1cc(-c2ccc(-c3c(Cc4ccccc4)oc4ccccc34)cc2)ccc1O,0.0
O=C([O-])c1cc(S(=O)(=O)Oc2ccc(-c3ccc(-c4c(Cc5ccccc5)oc5ccccc45)cc3)cc2)ccc1O,0.0
O=C([O-])c1cccc(/C=C/c2ccc3cc(Br)c(C(F)(F)P(=O)([O-])[O-])cc3n2)c1,0.0
CCCCc1oc2ccccc2c1[C@@H](O)c1ccc(-c2ccc(O)cc2)cc1,0.0
Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1-c1ccc(-c2cc(Br)c(O)c(Br)c2)cc1,0.0
Cc1sc(Cc2ccccc2)c(-c2ccc(-c3ccc(OS(=O)(=O)c4ccc(C(=O)[O-])c(O)c4)cc3)cc2)c1C,0.0
N#CCc1ccc2cc(Br)c(C(F)(F)P(=O)([O-])[O-])cc2c1,0.0
O=P([O-])([O-])C(F)(F)c1ccc(C[C@@](Cc2ccc(-c3ccccc3)cc2)(c2ccccc2)n2nnc3ccccc32)cc1,0.0
O=C([O-])[C@H](Oc1ccc(-c2ccc(-c3c(Cc4ccc(O)cc4O)sc4ccccc34)cc2)cc1)c1ccccc1,0.0
Cc1cc(-c2ccc(-c3c(Cc4ccccc4)oc4ccccc34)cc2)cc(C)c1O[C@H](Cc1ccccc1)C(=O)[O-],0.0
CS(=O)(=O)N[C@H](Cc1ccc([C@@H]2CC([O-])=NS2(=O)=O)cc1)c1nc2ccccc2[nH]1,0.0
O=C([O-])c1ccc(COc2ccc(-c3ccc(-c4c(Cc5ccccc5)oc5ccccc45)cc3)cc2)cc1,0.0
O=C(Nc1cccc(F)c1)c1ccc2cc(Br)c(C(F)(F)P(=O)([O-])[O-])cc2n1,0.0
CCCCc1oc2ccccc2c1Cc1ccc(-c2ccc(OCn3cnnn3)cc2)cc1,0.0
O=C([O-])COc1ccc(-c2ccc(-c3c(Cc4ccccc4)oc4ccccc34)cc2)cc1C1CCCC1,0.0
O=P([O-])([O-])C(F)(F)c1ccc(CN(Cc2ccc(-c3csnn3)cc2)S(=O)(=O)c2ccccc2)cc1,0.0
COC(=O)C(Cc1ccc(C(F)(F)P(=O)([O-])[O-])cc1)(Cc1ccc(C(F)(F)P(=O)([O-])[O-])cc1)C(=O)[O-],0.0
COc1ccc2cc(O)c(N3CC(=O)NS3(=O)=O)cc2c1,0.0
CCCCc1oc2ccccc2c1Cc1ccc2c(Br)c(OCn3cnnn3)ccc2c1,0.0
C/C(=C\Cn1oc(=O)nc1[O-])c1cccc(OCc2nc(-c3ccc(C(F)(F)F)cc3)oc2-c2ccccc2)c1,0.0
O=C([O-])[C@@H](Cc1ccccc1)Oc1ccc(-c2ccc(-c3oc4ccccc4c3Cc3ccccc3)cc2)cc1,0.0
O=S(=O)(N[C@H](Cc1ccc([C@@H]2CC([O-])=NS2(=O)=O)cc1)c1ncc[nH]1)c1cccc(C(F)(F)F)c1,0.0
CCCCc1sc2ccccc2c1-c1ccc(-c2ccc(O)cc2)cc1,0.0
O=C([O-])[C@@H](Cc1ccccc1)Oc1ccc(-c2ccc(-c3c(Cc4ccccc4)oc4ncccc34)cc2)cc1,0.0
O=C(CCCC[C@@H]1CCSC(c2ccccc2)(c2ccccc2)S1)Nc1ccc2c(c1)CO[C@@H](C(=O)[O-])C2,0.0
O=C(c1ccccc1)[C@@](C/C=C/c1ccccc1)(Cc1ccc(C(F)(F)P(=O)([O-])[O-])cc1)c1ccccc1,0.0
O=C(CCCC[C@@H]1CCSC(c2ccccc2)(c2ccccc2)S1)Nc1ccc2c(c1)C[C@H](C(=O)[O-])OC2,0.0
O=C(c1ccccc1)[C@@H](Cc1ccc(C(F)(F)P(=O)([O-])[O-])c(Br)c1)c1ccccc1,0.0
O=C(NCc1ccccc1)c1ccc2cc(Br)c(C(F)(F)P(=O)([O-])[O-])cc2n1,0.0
CCCCc1oc2ccccc2c1-c1ccc(-c2ccc(O)cc2)cc1,0.0
Nc1nc(N)c(CCC[C@@H](C(=O)c2nc3ccccc3o2)c2ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc2)c(=O)[nH]1,0.0
Nc1nc(N)c(CCC[C@H](C(=O)C(F)(F)F)c2ccc(C(=O)N[C@H](CCc3nnn[n-]3)C(=O)[O-])cc2)c(=O)[nH]1,0.0
Nc1nc2c(c(=O)[nH]1)C[C@@H](CCc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)CN2,0.0
Nc1nc2c(c(=O)[nH]1)C[C@@H](Cc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)CN2,0.0
Nc1nc2c(c(=O)[nH]1)C[C@H](CNc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)CC2,0.0
C[C@@H](CC1=Nc2c(nc(N)[nH]c2=O)NC1)Cc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1,0.0
Nc1nc2ncc(CCc3ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=O)[nH]1,0.0
Nc1cc2c(c(=O)[nH]1)C[C@H](CCc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)CCN2,0.0
Nc1nc(=O)c2c([nH]1)NC[C@H](CCc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)C2,0.0
Nc1nc(N)c(CCC[C@H](C(=O)C(F)(F)F)c2ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc2)c(=O)[nH]1,0.0
Nc1nc2c(c(=O)[nH]1)S[C@H](CCc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)CN2,0.0
Nc1nc(=O)c2c([nH]1)NC[C@@H](CCCc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)N2,0.0
Nc1nc2c(c(=O)[nH]1)C[C@@H](CNc1ccc(C(=O)N[C@H](CCS(=O)(=O)[O-])C(=O)[O-])cc1)CN2,0.0
Nc1nc2c(c(=O)[nH]1)C[C@@H](CCCc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)CN2,0.0
Nc1nc2[nH]cc(CCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)c2c(=O)[nH]1,0.0
Nc1nc(=O)c2c([nH]1)NC[C@H](CCNc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)N2,0.0
C[C@H](Cc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)C[C@@H]1CNc2[nH]c(N)nc(=O)c2N1,0.0
Nc1nc2[nH]c(CCCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=O)[nH]1,0.0
Nc1nc2sc(CCCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=O)[nH]1,0.0
Nc1ncc2c(n1)NC[C@H](CCc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)C2,0.0
Nc1nc2[nH]c(CCCCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=O)[nH]1,0.0
Nc1nc2[nH]c(CCCCCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=O)[nH]1,0.0
Nc1nc2[nH]c(CCCCCCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=O)[nH]1,0.0
CS[C@@H](CCCc1c(N)nc(N)[nH]c1=O)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1,0.0
Nc1nc2sc(CCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=O)[nH]1,0.0
Nc1nc(N)c(CCC[C@H](C=O)c2ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc2)c(=O)[nH]1,0.0
C[C@@H]1c2c(nc(N)[nH]c2=O)NC[C@@H]1CCc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1,0.0
Nc1nc2c(c(=O)[nH]1)S[C@H](CCc1cccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])c1)CN2,0.0
Nc1nc(N)c(SC[C@H]2CCc3cc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])sc3C2)c(=O)[nH]1,0.0
CC[C@@H]1c2c(nc(N)[nH]c2=O)NC[C@@H]1CCc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1,0.0
Nc1nc2sc(CCCCCCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=O)[nH]1,0.0
Nc1nc(N)c(SCCCc2ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc2)c(=O)[nH]1,0.0
Nc1nc2sc(CCCCCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=O)[nH]1,0.0
Nc1nc2c(c(=O)[nH]1)S[C@H](CCc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])s1)CN2,0.0
Nc1nc2sc(CCCCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=O)[nH]1,0.0
Cc1cc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])sc1CC[C@@H]1CNc2nc(N)[nH]c(=O)c2S1,0.0
Nc1nc(N)c(SCCCc2cccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])c2)c(=O)[nH]1,0.0
CO[C@H](CCCc1c(N)nc(N)[nH]c1=O)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1,0.0
Nc1nc(N)c(SCCCc2ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])s2)c(=O)[nH]1,0.0
CS[C@H](CCCc1c(N)nc(N)[nH]c1=O)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1,0.0
Nc1nc2[nH]c(CCCCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])s3)cc2c(=O)[nH]1,0.0
CCc1cc(CCCSc2c(N)nc(N)[nH]c2=O)sc1C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-],0.0
Cc1cc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])sc1CC[C@@H]1CNc2nc(N)[nH]c(=O)c2S1,0.0
Nc1nc2c(c(=O)[nH]1)S[C@H](CCc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])s1)CN2,0.0
Cc1cc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])sc1CCCSc1c(N)nc(N)[nH]c1=O,0.0
OC[C@H]1O[C@@]2(CC(c3ccc4ccccc4c3)=NO2)[C@H](O)[C@@H](O)[C@@H]1O,0.0
O=C(NC(=O)c1ccc2ccccc2c1)N[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O,0.0
O=C(N[C@@H]1CCc2ccccc2NC1=O)c1cc2cc(Cl)ccc2[nH]1,0.0
Cn1c(=O)c(Nc2ccc(C(=O)Nc3ccon3)cc2)nc2ccccc21,0.0
O=C(Nc1cc2ccccc2cc1Oc1ccc(C(=O)[O-])c(C(=O)[O-])c1)c1cc(Cl)ccn1,0.0
CN1C(=O)[C@H](NC(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)Cc2ccccc21,0.0
O=C(Nc1cc2ccccc2cc1Oc1ccc(C(=O)[O-])c(C(=O)[O-])c1)c1cc([N+](=O)[O-])ccn1,0.0
O=C(Nc1cc2ccccc2cc1Oc1ccc(C(=O)[O-])c(C(=O)[O-])c1)c1ccccn1,0.0
O=C(Nc1cc2ccccc2cc1Oc1ccc(C(=O)[O-])c(C(=O)[O-])c1)c1cc(C(F)(F)F)ccn1,0.0
CCc1ccc2[nH]c(C(=O)N[C@@H]3Cc4ccccc4N(C)C3=O)cc2c1,0.0
O=C(NCc1cccs1)c1ccc(Nc2nc3ccccc3n(CCc3ccccn3)c2=O)cc1,0.0
Cc1ccnc(C(=O)Nc2cc3ccccc3cc2Oc2ccc(C(=O)[O-])c(C(=O)[O-])c2)c1,0.0
COc1ccnc(C(=O)Nc2cc3ccccc3cc2Oc2ccc(C(=O)[O-])c(C(=O)[O-])c2)c1,0.0
CN1C(=O)[C@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)CCc2ccccc21,0.0
O=C(Nc1c(F)cccc1Oc1ccc(C(=O)[O-])c(C(=O)[O-])c1)c1cc(Cl)ccn1,0.0
Cc1ccc2[nH]c(C(=O)N[C@@H]3Cc4ccccc4N(C)C3=O)cc2c1,0.0
CN1C(=O)[C@H](NC(=O)c2cc3cc(Cl)cc(F)c3[nH]2)Cc2ccccc21,0.0
COc1ccnc(C(=O)Nc2c(F)cccc2Oc2ccc(C(=O)[O-])c(C(=O)[O-])c2)c1,0.0
CCc1ccnc(C(=O)Nc2cc3ccccc3cc2Oc2ccc(C(=O)[O-])c(C(=O)[O-])c2)c1,0.0
CN1C(=O)[C@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)Cc2ccccc21,0.0
O=C(NCc1cccs1)c1ccc(Nc2nc3ccccc3n(CC[NH+]3CCCCC3)c2=O)cc1,0.0
CN1C(=O)[C@H](NC(=O)c2cc3cc(C#N)ccc3[nH]2)Cc2ccccc21,0.0
CN1C(=O)[C@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)Cc2ccccc21,0.0
CN1C(=O)[C@H](NC(=O)c2cc3cc(F)ccc3[nH]2)Cc2ccccc21,0.0
CN1C(=O)[C@H](NC(=O)c2cc3ccccc3[nH]2)Cc2ccccc21,0.0
CN1C(=O)[C@H](NC(=O)c2cc3cccc(Cl)c3[nH]2)Cc2ccccc21,0.0
CN1C(=O)[C@H](NC(=O)c2cc3ccc(Cl)cc3[nH]2)Cc2ccccc21,0.0
O=C(Nc1ccccc1Oc1ccc(C(=O)[O-])c(C(=O)[O-])c1)c1cc(Cl)ccn1,0.0
O=C(N[C@@H]1Cc2ccccc2NC1=O)c1cc2cc(Cl)ccc2[nH]1,0.0
COc1ccnc(C(=O)Nc2ccccc2Oc2ccc(C(=O)[O-])c(C(=O)[O-])c2)c1,0.0
O=C(Nc1cc(F)ccc1Oc1ccc(C(=O)[O-])c(C(=O)[O-])c1)c1cc([N+](=O)[O-])ccn1,0.0
O=C(Nc1ccccc1Oc1ccc(C(=O)[O-])c(C(=O)[O-])c1)c1cccc([N+](=O)[O-])c1,0.0
O=C(Nc1cc(F)ccc1Oc1ccc(C(=O)[O-])c(C(=O)[O-])c1)c1cc(Cl)ccn1,0.0
O=C(Nc1c(F)cccc1Oc1ccc(C(=O)[O-])c(C(=O)[O-])c1)c1cc([N+](=O)[O-])ccn1,0.0
Cn1c(=O)c(Nc2ccc(C(=O)NCc3ccco3)cc2)nc2ccccc21,0.0
O=C(NCc1cccs1)c1ccc(Nc2nc3ccccc3n(CCN3CCOCC3)c2=O)cc1,0.0
Cn1c(=O)c(Nc2ccc(C(=O)Nc3nccs3)cc2)nc2ccccc21,0.0
Cc1ccc2nc(Nc3ccc(C(=O)NCc4cccs4)cc3)c(=O)n(C)c2c1,0.0
Cn1c(=O)c(Nc2ccc(C(=O)Nc3cc[nH]n3)cc2)nc2ccccc21,0.0
N#Cc1ccnc(C(=O)Nc2ccccc2Oc2ccc(C(=O)[O-])c(C(=O)[O-])c2)c1,0.0
Cn1c(=O)c(Nc2ccc(NC(=O)c3ccno3)cc2)nc2ccccc21,0.0
Cn1c(=O)c(Nc2ccc(C(=O)NCc3cccs3)cc2)nc2cc(F)ccc21,0.0
Cc1c(-c2cn(C)c3c(-c4cccc(C(F)(F)F)c4)cccc23)nc2ccc(F)cc2c1C(=O)[O-],0.0
Cc1cccc(-c2ccc3c(c2)CSc2c-3nc3ccc(F)cc3c2C(=O)[O-])c1,0.0
Cc1ccccc1-c1ccc2c(c1)CCc1c-2nc2ccc(F)cc2c1C(=O)[O-],0.0
Cc1ccccc1-c1ccc2c(c1)CSc1c-2nc2ccc(F)cc2c1C(=O)[O-],0.0
Cc1cccc(-c2ccc3c(n2)CCc2c-3nc3ccc(F)cc3c2C(=O)[O-])c1,0.0
Cc1c(N2CCc3c(-c4ccccc4F)cccc32)nc2ccc(F)cc2c1C(=O)[O-],0.0
Cc1ccccc1-c1ccc2c(c1)SCc1c-2nc2ccc(F)cc2c1C(=O)[O-],0.0
O=C([O-])c1c2c(nc3ccc(F)cc13)-c1ccc(-c3ccccc3)cc1S(=O)(=O)C2,0.0
O=C([O-])c1c2c(nc3ccc(F)cc13)-c1ccc(-c3ccccc3)cc1CC2,0.0
O=C([O-])c1c2c(nc3ccc(F)cc13)-c1cccc(-c3ccccc3)c1CC2,0.0
Cc1c(-c2cccc3c(-c4ccccc4)cccc23)nc2ccc(F)cc2c1C(=O)[O-],0.0
Cc1c(N2CCc3c(-c4ccccc4)cccc32)nc2ccc(F)cc2c1C(=O)[O-],0.0
Cc1c(-n2ccc3c(-c4ccccc4)cccc32)nc2ccc(F)cc2c1C(=O)[O-],0.0
O=C([O-])c1c2c(nc3ccc(F)cc13)-c1ccc(-c3ccccc3)cc1CS2,0.0
COc1ccccc1-c1ccc2c(c1)CCc1c-2nc2ccc(F)cc2c1C(=O)[O-],0.0
Cc1c(-n2cnc3c(-c4ccccc4)cccc32)nc2ccc(F)cc2c1C(=O)[O-],0.0
O=C([O-])c1c2c(nc3ccc(F)cc13)-c1ccc(-c3ccccc3)cc1[S@](=O)C2,0.0
O=C([O-])c1c2c(nc3ccc(F)cc13)-c1ccc(-c3ccccc3)cc1OC2,0.0
O=C([O-])C1=C(C(=O)Nc2c(F)c(F)c(-c3cccc(OC(F)(F)F)c3)c(F)c2F)CSC1,0.0
COc1cccc(-c2ccc3c(n2)CCc2c-3nc3ccc(F)cc3c2C(=O)[O-])c1,0.0
O=C([O-])c1c2c(nc3ccc(F)cc13)-c1ccc(-c3ccccc3)cc1SC2,0.0
O=C([O-])C1=C(C(=O)Nc2c(F)c(F)c(-c3cccc(OC(F)(F)F)c3)c(F)c2F)CCC1,0.0
O=C([O-])C1=C(C(=O)Nc2c(F)c(F)c(-c3cccc(OC(F)(F)F)c3)c(F)c2F)COC1,0.0
Cc1c(-c2ccc3ccccc3c2)nc2ccc(F)cc2c1C(=O)[O-],0.0
O=C([O-])c1c2c(nc3ccc(F)cc13)-c1cccc(Oc3ccccc3)c1CC2,0.0
O=C([O-])c1c2c(nc3ccc(F)cc13)-c1ccc(-c3ccccc3)nc1CC2,0.0
COc1cc(-c2ccccc2)c2c(c1)N(c1nc3ccc(F)cc3c(C(=O)[O-])c1C)CC2,0.0
Cc1c(Nc2cccc(-c3ccccc3)c2)nc2ccc(F)cc2c1C(=O)[O-],0.0
Cc1c(Oc2cccc(-c3ccccc3)c2)nc2ccc(F)cc2c1C(=O)[O-],0.0
Cc1c(-c2cn(C)c3c(-c4ccccc4)cccc23)nc2ccc(F)cc2c1C(=O)[O-],0.0
O=C([O-])C1=C(C(=O)Nc2ccc(-c3cccc4ccccc34)cc2C(F)(F)F)CCC1,0.0
O=C([O-])c1c(O)c(-c2ccc(-c3ccccc3)cc2)nc2ccc(F)cc12,0.0
Cc1c(-c2ccc(-c3ccccc3)cc2)nc2ccccc2c1C(=O)[O-],0.0
O=C([O-])c1c2c(nc3ccc(F)cc13)-c1cnc(-c3ccccc3)nc1CC2,0.0
Cc1c(N(C)c2cccc(-c3ccccc3)c2)nc2ccc(F)cc2c1C(=O)[O-],0.0
O=C(Nc1c(F)cc(-c2cccc(OC(F)(F)F)c2)cc1F)c1ccsc1C(=O)[O-],0.0
Cc1ccc(-c2ccc3c(c2)SCc2c-3nc3ccc(F)cc3c2C(=O)[O-])cc1,0.0
Cc1c(-c2ccc(-c3ccccc3F)cc2)nc2ccncc2c1C(=O)[O-],0.0
Cc1c(-c2ccc(C3CCCCC3)cc2)nc2ccc(F)cc2c1C(=O)[O-],0.0
O=C([O-])c1c2c(nc3ccc(F)cc13)-c1ccc(-c3ccsc3)cc1CC2,0.0
Cc1c(-c2ccc(-c3ccccc3F)cc2)nc2cccnc2c1C(=O)[O-],0.0
CCCCCCc1ccc(-c2nc3ccc(F)cc3c(C(=O)[O-])c2C)cc1,0.0
O=C([O-])C1=C(C(=O)Nc2c(F)cc(-c3cccc(OC(F)(F)F)c3)cc2F)CSC1,0.0
Cc1c(OCc2cccc(-c3ccccc3)c2)nc2ccc(F)cc2c1C(=O)[O-],0.0
COc1cccc(-c2cc(F)c(NC(=O)C3=C(C(=O)[O-])CCC3)c(F)c2)c1,0.0
Cc1c(-c2ccc(-c3cccnc3)cc2)nc2ccc(F)cc2c1C(=O)[O-],0.0
c1cncc(-c2noc(COc3ccc([C@H]4CC[NH2+]C[C@@H]4OCc4ccc5ccccc5c4)cc3)n2)c1,0.0
COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COc2ccc3ccccc3c2)cc1,0.0
CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1Cc2ccccc2CN1,0.0
c1ccc(-c2noc(COc3ccc([C@H]4CC[NH2+]C[C@@H]4OCc4ccc5ccccc5c4)cc3)n2)cc1,0.0
COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COc2ccc3cccnc3c2)cc1,0.0
c1ccc(COCCOCc2ccc([C@H]3CC[NH2+]C[C@@H]3OCc3ccc4ccccc4c3)cc2)cc1,0.0
CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1Cc2ccccc2N1,0.0
COc1ccccc1COCCCOc1ccc([C@H]2CC[NH2+]C[C@@H]2OCc2ccc3cccnc3c2)cc1,0.0
CCCc1nc(-c2cccnc2)cn2c(CC(=O)N[C@H](CC3CCCCC3)C(=O)C(F)(F)C(=O)NCC)nnc12,0.0
COc1ccccc1COCCCOc1ncc([C@H]2CC[NH2+]C[C@@H]2OCc2cc(OC)c3ccccc3c2OC)cn1,0.0
C[C@H]([NH2+][C@H](CCc1ccccc1)C(=O)[O-])C(=O)N1CCC[C@H]1C(=O)[O-],0.0
c1ccc(COCCCCOc2ccc([C@H]3CC[NH2+]C[C@@H]3OCc3ccc4ccccc4c3)cc2)cc1,0.0
Cc1ccc(NC(=O)Cc2ccccc2)cc1C(=O)N[C@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C,0.0
O=C(OCc1ccc([C@H]2CC[NH2+]C[C@@H]2OCc2ccc3ccccc3c2)cc1)c1ccccc1,0.0
c1ccc(COCCCOc2ccc([C@H]3CC[NH2+]C[C@@H]3OCc3ccc4ccccc4c3)cc2)nc1,0.0
COC(=O)[C@H](O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H](CC(=O)N(C)C)Cc1cccc2ccccc12,0.0
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](C)O[C@@H](Cc1ccccc1)C(=O)N1CCC1,0.0
C=CC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C,0.0
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)CNC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)N1CCOCC1,0.0
COc1ccccc1COCCCOc1ccc([C@H]2CC[NH2+]C[C@@H]2OCc2cc(OC)c3ccccc3c2OC)cc1,0.0
CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1cc2cccnc2[nH]1,0.0
CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1nc2ccccc2[nH]1,0.0
CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1cc2ccccc2[nH]1,0.0
c1ccc(OCCOCc2ccc([C@H]3CC[NH2+]C[C@@H]3OCc3ccc4ccccc4c3)cc2)cc1,0.0
CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1cc2ccccc2o1,0.0
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C,0.0
COC(=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)N1Cc2ncccc2C1=O,0.0
O=C(OCCOc1ccc([C@H]2CC[NH2+]C[C@@H]2OCc2ccc3ccccc3c2)cc1)c1cccnc1,0.0
CCCCNC(=O)[C@@H](C)C[C@@H](O)[C@@H](CC1CCCCC1)NC(=O)[C@H](CCCC)O[P@](=O)([O-])CCc1ccccc1,0.0
O=C(OCCOc1ccc([C@H]2CC[NH2+]C[C@@H]2OCc2ccc3ccccc3c2)cc1)c1ccccc1,0.0
c1ccc(OCCCOCc2ccc([C@H]3CC[NH2+]C[C@@H]3OCc3ccc4ccccc4c3)cc2)cc1,0.0
CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](CCC)O[P@](=O)([O-])CCCc1ccccc1,0.0
c1ccc(OCCCCOc2ccc([C@H]3CC[NH2+]C[C@@H]3OCc3ccc4ccccc4c3)cc2)cc1,0.0
Cc1cc(Cl)c(OCCCc2ccc(C[C@H](C[NH3+])C(=O)N(Cc3cccc(Cl)c3Cl)C3CC3)cc2)c(Cl)c1,0.0
CCNC(=O)[C@H](Cc1ccccc1)O[C@@H](C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C,0.0
c1ccc2c(c1)CC[C@@H](Nc1nc(Nc3ccncc3)nc(N3CC[NH2+]CC3)n1)C2,0.0
Cc1c(-c2ccnc(N)n2)sc2ccc([C@@H]([NH3+])c3cccc(O)c3)cc12,0.0
c1ccc2c(c1)CC(Nc1cc(N3CC[NH2+]CC3)[nH+]c(Nc3ccncc3)n1)C2,0.0
COc1cc(C2=N[C@H](c3ccc(Cl)cc3F)/C(=C(/[O-])Nc3ccc4[nH]ncc4c3)C(C)=N2)ccn1,0.0
c1ccc2c(c1)CC(Nc1nc(Nc3ccncc3)nc(N3CCC[NH2+]CC3)n1)C2,0.0
c1ccc2c(c1)CC(Nc1cc(Nc3ccncc3)nc(N3CC[NH2+]CC3)n1)C2,0.0
Nc1ncc2c(n1)c(-c1cc(-c3cc4ccccc4s3)c3[nH]ncc3c1)cn2CC[NH3+],0.0
CC1=C(C(=O)Nc2ccc3[nH]ncc3c2)[C@@H](c2ccc3ccccc3c2)CC(=O)N1,0.0
c1ccc2c(c1)CC(Nc1nc(Nc3ccncc3)nc(N3CC[NH2+]CC3)n1)C2,0.0
Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4ccccc4)c3)cc12,0.0
COc1ccc(C2=N[C@H](c3ccc(Cl)cc3F)/C(=C(\[O-])Nc3ccc4[nH]ncc4c3)C(C)=N2)cn1,0.0
COc1ccc(C2=N[C@H](c3ccc(Cl)cc3F)/C(=C(\[O-])Nc3ccc4[nH]ncc4c3)C(C)=N2)cc1,0.0
C[NH2+][C@@H](C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl)c1ccccc1,0.0
CC1=NC(c2ccccn2)=N[C@H](c2ccc(F)cc2)/C1=C(\[O-])Nc1ccc2[nH]ncc2c1,0.0
CC1=C(C(=O)Nc2ccc3[nH]ncc3c2)[C@@H](c2ccc(C(F)(F)F)cc2)CC(=O)N1,0.0
Cc1c(-c2ccnc(N)n2)sc2ccc(Nc3cccc(O)c3)cc12,0.0
c1ccc2c(c1)CC[C@@H]2Nc1nc(Nc2ccncc2)nc(N2CC[NH2+]CC2)n1,0.0
O=C(CNCc1ccccc1)Nc1cc2cc[nH]c(=O)c2cc1Cl,0.0
Cc1c(-c2ccnc(N)n2)sc2ccc(Oc3cccc(O)c3)cc12,0.0
CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(N(C)C)cc4)c3)cc21,0.0
Clc1cccc(C[N@@H+]2CC[C@@H](Nc3ccc4[nH]ncc4c3)C2)c1,0.0
Nc1nonc1-c1nc2ccccc2n1C1CCCC1,0.0
CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(C)=O)c3)cc21,0.0
c1ccc(CCNc2nc(Nc3ccncc3)nc(N3CC[NH2+]CC3)n2)cc1,0.0
Nc1nonc1-c1nc2ccccc2n1C1CCCCC1,0.0
O=C(Nc1ccc2[nH]ncc2c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1,0.0
CC1=C(C(=O)Nc2ccc3[nH]ncc3c2)[C@@H](c2ccc(F)cc2)NC(=O)N1,0.0
O=C(Nc1ccc2[nH]ncc2c1)[C@H]1CC[N@H+](Cc2ccccc2)CC1,0.0
Clc1ccc(C[N@@H+]2CCC[C@@H](Nc3cccc4cnccc34)C2)cc1,0.0
Nc1nonc1-c1nc2ccccc2n1-c1ccccc1,0.0
[NH3+]C1CCN(c2nc(-c3ccnc4[nH]ccc34)cnc2N2CCCC2)CC1,0.0
CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OC[C@@H]3CCC[NH2+]C3)c21,0.0
c1cc(-c2cnc(N3CCCC3)c(N3CC[NH2+]CC3)n2)c2cc[nH]c2n1,0.0
CC1(C)CCC(C)(C)c2cc(C3(c4ccc(C(=O)[O-])cc4)CC3)ccc21,0.0
Cc1cc2c(cc1C(=C1CC1)c1ccc(C(=O)[O-])cc1)C(C)(C)CCC2(C)C,0.0
CC(/C=C/[C@H]1CCC[C@@H]1c1ccc2c(c1)C(C)(C)CCC2(C)C)=C\C(=O)[O-],0.0
Cc1oc(/C=C/C(=O)[O-])cc1Cc1ccc2c(c1)C(C)(C)CCC2(C)C,0.0
Cc1cc2c(cc1Cc1ccc(C(=O)[O-])c(F)c1)C(C)(C)CCC2(C)C,0.0
C/C(=C\c1ccc(C(=O)[O-])s1)c1cc2c(cc1C)C(C)(C)CCC2(C)C,0.0
CC(/C=C/[C@@]1(C)CCC[C@@H]1c1ccc2c(c1)C(C)(C)CCC2(C)C)=C\C(=O)[O-],0.0
CN1c2ccc(NC(=O)c3ccccc3)cc2N=C(c2ccc(C(=O)[O-])cc2)c2cc3c(cc21)C(C)(C)CCC3(C)C,0.0
Cc1cc2c(cc1Cc1ccc(C(=O)[O-])c([N+](=O)[O-])c1)C(C)(C)CCC2(C)C,0.0
C/C(=C\c1ccc(C(=O)[O-])o1)c1cc2c(cc1C)C(C)(C)CCC2(C)C,0.0
Cc1cc2c(cc1C1(c3ccc(C(=O)[O-])cc3)CC1)C(C)(C)CCC2(C)C,0.0
CN1c2ccc(NC(=O)Cc3ccc(F)cc3)cc2N=C(c2ccc(C(=O)[O-])cc2)c2cc3c(cc21)C(C)(C)CCC3(C)C,0.0
C/C(=C\c1cc(C(=O)[O-])cs1)c1cc2c(cc1C)C(C)(C)CCC2(C)C,0.0
C/C(=C\c1ccc(C(=O)[O-])cn1)c1cc2c(cc1C)C(C)(C)CCC2(C)C,0.0
Cc1cc2c(cc1Oc1ccc(C(=O)[O-])cc1)C(C)(C)CCC2(C)C,0.0
C/C(=C\c1ccc(C(=O)[O-])cc1)c1cc2c(cc1Cl)C(C)(C)CCC2(C)C,0.0
C/C(=C\c1ccc(C(=O)[O-])cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C,0.0
CC1(C)CCC(C)(C)c2cc(Sc3ccc(C(=O)[O-])cc3)ccc21,0.0
C=C(c1ccc(C(=O)[O-])cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C,0.0
CN1c2ccc(NC(=O)Cc3ccccc3)cc2N=C(c2ccc(C(=O)[O-])cc2)c2cc3c(cc21)C(C)(C)CCC3(C)C,0.0
CN1c2ccc(SCc3ccc(Cl)cc3)cc2N=C(c2ccc(C(=O)[O-])cc2)c2cc3c(cc21)C(C)(C)CCC3(C)C,0.0
C=C(c1ccc(C(=O)[O-])cc1)c1cc2c(cc1Cl)C(C)(C)CCC2(C)C,0.0
C/C(=C\c1nc(C(=O)[O-])c[nH]1)c1cc2c(cc1C)C(C)(C)CCC2(C)C,0.0
C/C(=C\c1csc(C(=O)[O-])c1)c1cc2c(cc1C)C(C)(C)CCC2(C)C,0.0
Cc1cc2c(cc1[C@]1(c3ccc(C(=O)[O-])cc3)CO1)C(C)(C)CCC2(C)C,0.0
Cc1cc(O)c([C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)cc1-c1ccc(/C=C/C(=O)[O-])cc1Cl,0.0
CCOc1c(-c2noc3ccc(/C(C)=C/C(=O)[O-])cc23)cc(C(C)C)cc1C(C)C,0.0
CC1(C)CCC(C)(C)c2cc(C(=O)c3ccc(C(=O)[O-])cc3)c(Br)cc21,0.0
CN1c2ccc(NS(=O)(=O)c3ccccc3)cc2N=C(c2ccc(C(=O)[O-])cc2)c2cc3c(cc21)C(C)(C)CCC3(C)C,0.0
Cc1oc(-c2ccc3ccccc3c2)nc1COc1ccc(CCC[C@H]2OC(=O)NC2=O)cc1,0.0
Cc1cc2c(cc1C1(c3ccc(C(=O)[O-])cn3)CC1)C(C)(C)CCC2(C)C,0.0
CCOc1c(-c2[nH]nc3ccc(/C(C)=C/C(=O)[O-])cc23)cc(C(C)C)cc1C(C)C,0.0
CC(/C=C/C1(c2cc3c(cc2C)C(C)(C)CCC3(C)C)OCCO1)=C\C(=O)[O-],0.0
CCN1C(=O)C(C)(C)Oc2cc(C)c(-c3cc(/C(C)=C/C(=O)[O-])ccc3OC(F)(F)F)cc21,0.0
C=C(c1ccc(C(=O)[O-])cn1)c1cc2c(cc1C)C(C)(C)CCC2(C)C,0.0
CC(/C=C/[C@@H]1C[C@@]1(C)c1ccc2c(c1)C(C)(C)CCC2(C)C)=C\C(=O)[O-],0.0
CCN1C(=O)C(C)(C)Oc2cc(C)c(-c3cc(/C=C/C(=O)[O-])ccc3OC(F)(F)F)cc21,0.0
C=C(c1ccc(C(=O)[O-])s1)c1cc2c(cc1C)C(C)(C)CCC2(C)C,0.0
Cc1cc2c(cc1Sc1ccc(C(=O)[O-])cc1)C(C)(C)CCC2(C)C,0.0
Nc1ncnc2c1ncn2[C@H]1O[C@H](C(=O)OCc2ccccc2)[C@@H](O)[C@H]1O,0.0
Nc1ncnc2c1ncn2[C@@H]1C/C(=C\F)[C@@H](O)[C@H]1O,0.0
Nc1ncnc2c1ncn2[C@@H]1C/C(=C/F)[C@@H](O)[C@H]1O,0.0
Nc1ncnc2c1ncn2[C@H]1O[C@H](/C=N/OCc2ccccc2)[C@@H](O)[C@H]1O,0.0
Nc1nccc2c1ncn2[C@@H]1C[C@@H](CO)[C@@H](O)[C@@H]1O,0.0
Nc1nc(F)nc2c1ncn2[C@@H]1C[C@H](O)[C@@H](O)[C@H]1O,0.0
C[C@@H](O)C1=C[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,0.0
Nc1ncnc2c1ncn2[C@@H]1C[C@@H](CO)[C@@H](O)[C@@H]1O,0.0
C=C1[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1n1cnc2c(N)ncnc21,0.0
C=C[C@H]1C[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,0.0
Nc1ncnc2c1ncn2[C@@H]1C=C(CO)[C@@H](O)[C@H]1O,0.0
CC1=C[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,0.0
Nc1ncnc2c1ncn2[C@H]1O[C@@H](/C=N/O)[C@H](O)[C@@H]1O,0.0
Nc1ncnc2c1ncn2[C@@H]1C(F)=C(CO)[C@@H](O)[C@H]1O,0.0
C#C/C=C/[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,0.0
Nc1ncnc2c1ncn2[C@@H]1O/C(=C\F)[C@@H]([O-])[C@H]1O,0.0
C[C@H]1C[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,0.0
Nc1ncnc2c1ncn2[C@H]1O[C@H](CO)[C@H](C=O)[C@@H]1C=O,0.0
Nc1ncnc2c1ncn2[C@@H]1O/C(=C/F)[C@@H]([O-])[C@H]1O,0.0
CC[C@H]1C[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,0.0
CC(C)COC(=O)[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,0.0
Nc1ncnc2c1ncn2[C@H]1O[C@H](/C=C/Cl)[C@@H](O)[C@H]1O,0.0
Nc1ncnc2c1ncn2[C@H]1O[C@H](/C=C/I)[C@@H](O)[C@H]1O,0.0
Nc1ncnc2c1ncn2[C@H]1O[C@H](/C=C/Br)[C@@H](O)[C@H]1O,0.0
Nc1ncnc2c1ncn2[C@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H]1O,0.0
Nc1ncnc2c1ncn2[C@H]1O[C@H](CF)[C@@H](O)[C@H]1O,0.0
Nc1ncnc2c1ncn2[C@@H]1O/C(=C\F)[C@H]([O-])[C@@H]1O,0.0
Nc1ncnc2c1ncn2[C@H]1O[C@H](C(=O)OCCCl)[C@@H](O)[C@H]1O,0.0
Nc1ncnc2c1ncn2[C@@H]1C[C@@H](C=O)[C@@H](O)[C@H]1O,0.0
Nc1ncnc2c1ncn2[C@@H]1[C@@H](O)[C@H](O)[C@H](CO)[C@@H]1F,0.0
C#C[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,0.0
CCO/N=C/[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,0.0
Nc1ncnc2c1ncn2[C@@H]1O/C(=C/F)[C@H]([O-])[C@@H]1O,0.0
Nc1ncnc2c1ncn2[C@H]1O[C@H](/C=N/O)[C@@H](O)[C@H]1O,0.0
CCCCOC(=O)[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,0.0
Nc1ncnc2c1ncn2[C@@H]1C=C[C@@H](O)[C@H]1O,0.0
Nc1ncnc2c1ncn2[C@@H]1O[C@@H](C=O)[C@@H](O)[C@H]1O,0.0
CCN(CC)C(=O)[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,0.0
Nc1ncnc2c1ncn2[C@@H]1C[C@@H](O)[C@@H](O)[C@@H]1O,0.0
CC(C)OC(=O)[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,0.0
Nc1ncnc2c1ncn2[C@H]1O[C@H](C=O)[C@@H](O)[C@H]1O,0.0
Nc1nccc2c1ncn2[C@@H]1C=C(CO)[C@@H](O)[C@@H]1O,0.0
Nc1ncnc2c1ncn2[C@@H]1CC[C@@H](O)[C@H]1O,0.0
Nc1ncnc2c1ncn2C/C=C/[C@@H](O)CO,0.0
Nc1ncnc2c1ncn2[C@@H]1C=C(CO)C(=O)[C@@H]1O,0.0
CC(C)=CCn1cnc2c(N)ncnc21,0.0
O=C(c1ccc(-c2ccccc2)cc1)n1c2cc(O)c(O)cc2c2ccc(O)c(O)c21,0.0
O=C(CCc1ccccc1)n1c2cc(O)c(O)cc2c2ccc(O)c(O)c21,0.0
Cc1cccc(C)c1OC(=O)N(c1cccc(-c2ccccc2)c1)c1ccnc(Nc2ccc(N3CC[NH+](C)CC3)cc2)n1,0.0
COc1cc(-c2nn([C@H]3CC[C@H](N4CC[NH+](C)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1ccccc1,0.0
C[NH+]1CCN([C@H]2CC[C@H](n3nc(-c4ccc(C(=O)c5ccccc5)cc4)c4c(N)ncnc43)CC2)CC1,0.0
COc1cc(-c2nn([C@H]3CC[C@H](N4CC[NH+](C)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)CC(C)(C)c1ccccc1,0.0
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1ncccc1-c1ccncn1,0.0
Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3ccc(S(=O)(=O)C4CC[NH2+]CC4)cc3)nc12,0.0
O=C1NC(=O)c2c1c1[nH]cnc1c1[nH]c3ccccc3c21,0.0
COc1cc(-c2nn([C@H]3CC[C@H](N4CC[NH+](C)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2ccccc2o1,0.0
C[C@@H]1C[C@@H]2O[C@@H]2/C=C\C=C\C(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1,0.0
COc1cc(-c2nn([C@H]3CC[C@H](N4CC[NH+](C)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2ccccc2[nH]1,0.0
Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3ccc(C(=O)N4CC[NH2+]CC4)cc3)nc12,0.0
CC1(C)CC(NC(=O)c2cccc(-c3cc4nccc(Nc5cccc(O)c5)n4n3)c2)CC(C)(C)N1O,0.0
Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc(Nc3ncnc4ccc([N+](=O)[O-])cc34)c2)c1,0.0
Nc1cc2cc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)ccc2c[nH+]1,0.0
Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1,0.0
C[NH+]1CCN([C@H]2CC[C@H](n3nc(-c4ccc(NCc5cc6ccccc6[nH]5)cc4)c4c(N)ncnc43)CC2)CC1,0.0
Cc1cccc(C)c1-c1cc(C)c2nc(Nc3cccc(S(=O)(=O)N4CCN(C)CC4)c3)nnc2c1,0.0
Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1N1Cc2cnc(N)nc2N(C)C1=O,0.0
COc1cc(-c2nn([C@H]3CC[C@H](N4CC[NH+](C)CC4)CC3)c3ncnc(N)c23)ccc1NCc1ccccc1,0.0
COc1cccc(-c2cn(-c3ccc(CC[N@H+]4CC[C@H](O)CC4)cc3)c3ncnc(N)c23)c1,0.0
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1ccc2nc(NCCN3CCOCC3)ncc2c1,0.0
O=C([O-])c1ccc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2F)=NC3)cc1,0.0
Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nc5ccccc5n4-c4cc(N)ncn4)c3)cc(C(F)(F)F)c2)cn1,0.0
Nc1ncnc2c1c(-c1cccc(O)c1)cn2-c1ccc(OCC[NH2+]CCO)cc1,0.0
Oc1cc2c3ccc(O)c(O)c3n(CCCc3ccccc3)c2cc1O,0.0
Nc1ncnc2c1c(-c1cccc(O)c1)cn2C1CCCC1,0.0
C[NH+]1CCN(c2ccc(-c3cnn4c(N)c(-c5cccc(O)c5)cnc34)cc2)CC1,0.0
CNc1ncc2cc(-c3cc(C(=O)Nc4cc(C(F)(F)F)ccc4O[C@H]4CC[N@H+](C)CC4)ccc3C)ccc2n1,0.0
COc1cccc(-c2cn(-c3ccc(C(=O)Nc4ccc(P(=O)([O-])[O-])c(P(=O)([O-])[O-])c4)cc3)c3ncnc(N)c23)c1,0.0
C[NH+]1CCN([C@H]2CC[C@H](n3nc(-c4ccc(Nc5ccccc5)cc4)c4c(N)ncnc43)CC2)CC1,0.0
CC(=O)N[C@@H](Cc1ccc(OP(=O)([O-])[O-])cc1)C(=O)N[C@H]1CCCCN(Cc2ccc(-c3ccccc3)cc2)C1=O,0.0
Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1C(=O)Nc1cnc(Nc2ccc(N3CC[NH+](C)CC3)cc2)nc1,0.0
Oc1cccc(-c2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)c1,0.0
O=C(Nc1cncnc1)c1c(Cl)ccc2c(Nc3cccc(C(F)(F)F)c3)noc12,0.0
COC(=O)c1ccc2c(c1)NC(=O)/C2=C(\Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1)c1ccccc1,0.0
C[NH+]1CCN([C@H]2CC[C@H](n3nc(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc43)CC2)CC1,0.0
COc1cccc(-c2cn(-c3ccc(OCCn4cc[nH+]c4)cc3)c3ncnc(N)c23)c1,0.0
C[NH+]1CCN([C@H]2CC[C@H](n3cc(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc43)CC2)CC1,0.0
Cc1cccc(-c2nn(Cc3cccc(C(N)=O)c3)cc2-c2ccc3ncccc3c2)n1,0.0
Cc1cccc(-c2[nH]c(Cc3cccc(C(N)=O)c3)nc2-c2ccc3ncccc3c2)n1,0.0
Clc1cccc(-c2nc(Nc3ccncc3)c3ccccc3n2)c1,0.0
Cc1cccc(-c2nc(Nc3ccc4[nH]ncc4c3)c3ccccc3n2)n1,0.0
FC(F)(F)c1cccc(-c2n[nH]cc2-c2ccnc3ccccc23)c1,0.0
Cc1cccc(-c2nn(Cc3cccc(C(N)=O)c3)cc2-c2ccc3ncccc3n2)n1,0.0
Cc1cccc(-c2nc(Nc3ccc4ncsc4c3)c3ccccc3n2)n1,0.0
Cc1cccc(-c2cc(Nc3ccncc3)c3ccccc3n2)n1,0.0
Cc1cccc(-c2[nH]c(Cc3cccc(C(N)=O)c3)nc2-c2ccc3nccnc3c2)n1,0.0
Cc1cccc(-c2cn(Cc3cccc(C#N)c3)nc2-c2ccc3ncccc3c2)n1,0.0
Cc1cccc(-c2nn(Cc3cccc(C#N)c3)cc2-c2ccc3ncccc3c2)n1,0.0
Cc1cc(Nc2nc(-c3cccc(C)n3)nc3ccccc23)ccn1,0.0
Cc1cccc(-c2[nH]c(Cc3cccc(C#N)c3)nc2-c2ccc3ncccc3c2)n1,0.0
Cc1cccc(-c2nc(Nc3ccncc3)c3ccccc3n2)n1,0.0
Cc1cccc(-c2nc(Nc3ccncn3)c3ccccc3n2)n1,0.0
O=C(NCCCN1CCCC1=O)c1cnccc1Nc1nc(-c2cc(Br)ccc2F)nc2nccnc12,0.0
c1ccc(-c2n[nH]cc2-c2ccnc3ccccc23)cc1,0.0
c1ccc(-c2n[nH]cc2-c2ccnc(-c3ccc(OCC[NH+]4CCCC4)cc3)c2)nc1,0.0
Cc1cccc(-c2nc(Nc3cccc(C(N)=O)c3)c3ccccc3n2)n1,0.0
Cc1cccc(-c2nn(Cc3cccc(C#N)c3)cc2-c2ccc3ncccc3n2)n1,0.0
c1ccc(-c2nc(Nc3ccncc3)c3ccccc3n2)cc1,0.0
Cc1cccc(-c2[nH]ncc2-c2ccc(F)cc2)n1,0.0
Cc1cccc(-c2[nH]ncc2-c2ccnc3ccccc23)n1,0.0
Nc1nc(-c2ccc(F)cc2)c(-c2ccc3ncccc3n2)s1,0.0
Fc1ccc(-c2n[nH]cc2-c2ccnc3ccccc23)nc1,0.0
Cc1cccc(-c2nc(CNc3ccc(C(N)=O)cc3)[nH]c2C2=CC=C3OCO[C@H]3C2)n1,0.0
O=C([O-])c1ccc(-c2nc(-c3ccccn3)c(C3=CC=C4OCO[C@H]4C3)[nH]2)cc1,0.0
NC(=O)c1ccc(-c2nc(-c3ccc4c(c3)OCCO4)c(-c3ccccn3)[nH]2)cc1,0.0
OCc1ccc(-c2nc(-c3ccc4c(c3)OCO4)c(-c3ccccn3)[nH]2)cc1,0.0
Cc1cccc(-c2[nH]ncc2-c2ccc(Cl)cc2)n1,0.0
NC(=O)c1ccc(-c2nc(-c3ccccn3)c(-c3ccc4c(c3)OCO4)[nH]2)cc1,0.0
Cc1cccc(-c2nc(N)sc2-c2ccc3ncccc3n2)n1,0.0
[H]/[O+]=C(C)/N=c1\[nH]c(-c2ccc3ncnn3c2)c(-c2cccc(C)n2)[nH]1,0.0
Cc1cccc(-c2n[nH]cc2-c2ccc3ncccc3n2)n1,0.0
Cc1cccc(-c2nc(Nc3ccncc3)c3sccc3n2)n1,0.0
O=C(c1ccc(-c2cc(-c3c[nH]nc3-c3ccccn3)ccn2)cc1)N1CCOCC1,0.0
Cc1cccc(-c2[nH]c(CNc3cccc(C#N)c3)nc2-c2ccc3c(c2)OCO3)n1,0.0
Cc1cc(NC(=O)C(=O)[O-])cc(C)c1Oc1ccc(O)c(-c2cccc(C(F)(F)F)c2)c1,0.0
Cc1cc(NC(=O)C(=O)[O-])cc(C)c1Oc1ccc(O)c(-c2ccccc2Cl)c1,0.0
Cc1cc(NC(=O)C(=O)[O-])cc(C)c1S(=O)(=O)c1ccc(O)c(C2CCCCC2)c1,0.0
CCOC(=O)C(=O)Nc1cc(C)c(Oc2ccc(O)c([C@@H](O)c3ccc(F)cc3)c2)c(C)c1,0.0
CCOC(=O)C(=O)Nc1cc(C(F)(F)F)c(Oc2ccc3[nH]cc(-c4ccc(F)cc4)c3c2)c(C(F)(F)F)c1,0.0
Cc1cc(NC(=O)C(=O)[O-])cc(C)c1Oc1ccc(O)c(-c2cccc(Cl)c2)c1,0.0
Cc1cc(NC(=O)C(=O)[O-])cc(C)c1Oc1ccc(O)c(Cc2ccc(Cl)cc2)c1,0.0
Cc1cc(NC(=O)C(=O)[O-])cc(C)c1Oc1ccc(O)c(C(=O)c2ccc(F)cc2)c1,0.0
O=c1cnn(-c2cc(Cl)c(Oc3ccc(O)c(S(=O)(=O)N4[C@@H]5CC[C@H]4CC4(C5)OCCO4)c3)c(Cl)c2)c(=O)[nH]1,0.0
O=C(c1cc(Oc2c(Cl)cc(-n3ncc(=O)[nH]c3=O)cc2Cl)ccc1O)N1CCc2ccccc2C1,0.0
Cc1cc(NC(=O)C(=O)[O-])cc(C)c1Oc1ccc(O)c(C(=O)c2ccc(Cl)cc2)c1,0.0
O=C([O-])C(=O)Nc1cc(Cl)c(Oc2ccc(O)c(C(=O)c3ccc(F)cc3)c2)c(Cl)c1,0.0
CCOC(=O)C(=O)Nc1cc(C(F)(F)F)c(Oc2ccc3[nH]cc(Oc4ccc(F)cc4)c3c2)c(C(F)(F)F)c1,0.0
Cc1cc(CCC(=O)[O-])cc(C)c1Cc1ccc(O)c(C(C)C)c1,0.0
Cc1cc(-n2ncc(=O)[nH]c2=O)cc(Cl)c1Oc1ccc(O)c(S(=O)(=O)N2CCCCC2)c1,0.0
Cc1cc(NC(=O)CC(=O)[O-])cc(Cl)c1Oc1ccc(O)c(S(=O)(=O)CC2CCC2)c1,0.0
Cc1cc(NC(=O)C(=O)[O-])cc(C)c1Oc1ccc(O)c(C2CCCCC2)c1,0.0
O=c1cnn(-c2cc(Cl)c(Oc3ccc(O)c(S(=O)(=O)n4ccc5ccccc54)c3)c(Cl)c2)c(=O)[nH]1,0.0
CC(C)c1c[nH]c2ccc(Oc3c(C(F)(F)F)cc(CC(=O)[O-])cc3C(F)(F)F)cc12,0.0
Cc1cc(-n2ncc(=O)[nH]c2=O)cc(C)c1Oc1ccc(O)c(Cc2ccc(F)cc2)c1,0.0
CC(C)c1cc(Oc2c(Cl)cc3[nH]c(C(=O)[O-])cc3c2Cl)ccc1O,0.0
O=c1cnn(-c2cc(Cl)c(Oc3ccc(O)c(Cc4ccc(F)cc4)c3)c(Cl)c2)c(=O)[nH]1,0.0
CCOC(=O)C(=O)Nc1cc(C(F)(F)F)c(Oc2ccc3[nH]cc(Cc4ccc(F)cc4)c3c2)c(C(F)(F)F)c1,0.0
O=c1cnn(-c2cc(Cl)c(Oc3ccc(O)c(S(=O)(=O)NC4CCCCC4)c3)c(Cl)c2)c(=O)[nH]1,0.0
CC1(C)[C@@H]2CC[C@@H](NC(=O)c3cc(Oc4c(Cl)cc(-n5ncc(=O)[nH]c5=O)cc4Cl)ccc3O)[C@H]1C2,0.0
Cc1cc2[nH]c(C(=O)[O-])cc(=O)c2c(C)c1Oc1ccc(O)c(C(C)C)c1,0.0
O=C(c1cc(Oc2c(Cl)cc(-n3ncc(=O)[nH]c3=O)cc2Cl)ccc1O)N1C[C@@H]2CC[C@H]1C2,0.0
Cc1cc(NC(=O)C(=O)[O-])cc(C)c1Sc1ccc(O)c(C2CCCCC2)c1,0.0
O=C(c1cc(Oc2c(Cl)cc(-n3ncc(=O)[nH]c3=O)cc2Cl)ccc1O)N1CCOCC1,0.0
Cc1cc(OCC(=O)[O-])cc(C)c1Cc1ccc(O)c(C(C)C)c1,0.0
Cc1cc(-n2ncc(=O)[nH]c2=O)cc(Cl)c1Oc1ccc(O)c(S(=O)(=O)N2CCN(C)CC2)c1,0.0
Cc1cc(-n2ncc(=O)[nH]c2=O)cc(C)c1Oc1ccc(O)c(S(=O)(=O)N2CCCCC2)c1,0.0
O=c1cnn(-c2cc(Cl)c(Oc3ccc(O)c(S(=O)(=O)Nc4ccccc4)c3)c(Cl)c2)c(=O)[nH]1,0.0
Cc1cc2nc(C(=O)[O-])ccc2c(C)c1Oc1ccc(O)c(C(C)C)c1,0.0
Cc1cccc(-c2nn3c(c2-c2ccc(O)cc2)CCC3)n1,0.0
Cc1cc(N[C@H](Cc2ccccc2)C(=O)[O-])cc(C)c1Oc1ccc(O)c(C(C)C)c1,0.0
Cc1cc(-n2ncc(=O)[nH]c2=O)cc(Cl)c1Oc1ccc(O)c(S(=O)(=O)N2CCOCC2)c1,0.0
Cc1cc(OCC(=O)[O-])cc(C)c1Cc1cc(C#Cc2ccccc2)c(O)c(C(C)C)c1,0.0
O=C(NC1CCCCC1)c1cc(Oc2c(Cl)cc(-n3ncc(=O)[nH]c3=O)cc2Cl)ccc1O,0.0
CC(C)c1cc(Oc2c(Br)cc(CCC(=O)[O-])cc2Br)ccc1O,0.0
Cc1cc(-n2ncc(=O)[nH]c2=O)cc(Cl)c1Oc1ccc(O)c(C(=O)N2CCCCC2)c1,0.0
CC1CCN(C(=O)[C@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1,0.0
NNC(=[NH2+])c1ccc(C[C@H](NS(=O)(=O)c2ccc3cc4ccccc4cc3c2)C(=O)N2CCCCCC2)cc1,0.0
[NH3+][C@H]1CC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)CC2c3ccccc3CCc3ccccc32)CC1,0.0
CC1CCN(C(=O)N(Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1,0.0
O=C1Cn2c(Cl)cnc(c2=O)N[C@@H](Cc2ccccc2)CNC(=O)OCCCCOc2ccc(Cl)cc2CN1,0.0
Cc1ccc(NS(=O)(=O)c2cccc3ccccc23)c(O)c1CC(=O)NCc1ccc(C(N)=[NH2+])cc1,0.0
C[N@@H+]1CCCCCOc2ccc(Cl)cc2CNC(=O)Cn2c(Cl)cnc(c2=O)N[C@@H](Cc2ccccc2)C1,0.0
O=C1Cn2c(Cl)cnc(c2=O)N[C@@H](Cc2ccccc2)C[NH2+]CCC[NH2+]CCc2ccccc2CN1,0.0
NC(=[NH2+])c1ccc(C[C@@H](NC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1,0.0
Cc1[nH+]c(N)ccc1CNC(=O)Cn1c(C)cc2c(c1=O)NC(=O)[C@H](Cc1ccccc1)C2,0.0
NC(=[NH2+])c1cccc(CN(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCCC2)c1,0.0
O=C1Cn2c(Cl)cnc(c2=O)N[C@@H](Cc2ccccc2)[NH2+]CCCCCCOc2ccc(Cl)cc2CN1,0.0
Cc1[nH+]c(N)ccc1CNC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2ccc(F)c3ccccc23)c1F,0.0
NC(=[NH2+])c1ccc(C(=O)NC[C@@H]2CCCN2C(=O)[C@H](CO)NS(=O)(=O)c2ccc3ccccc3c2)cc1,0.0
NC(=[NH2+])c1ccc(C[C@@H](NC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCCC2)cc1,0.0
CN(C(=O)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccc(C(=[NH2+])NN)cc1)C1CCCC1,0.0
O=C1Cn2c(Cl)cnc(c2=O)N[C@@H](Cc2ccccc2)C[NH2+]CCOCCOc2ccc(Cl)cc2CN1,0.0
NC(=[NH2+])N1CCC[C@@H](CNC(=O)C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCOCC2)C1,0.0
NNC(=[NH2+])c1ccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCCC2)cc1,0.0
NC(=[NH2+])N1CCC(CC(=O)[C@@H]2Cc3cccc4c3N2C(=O)[C@@H](NS(=O)(=O)c2ccc3c(c2)CCO3)CC4)CC1,0.0
NC(=[NH2+])c1ccc2nc(-c3cc(Cl)cc(-c4cccc(N)c4)c3O)[nH]c2c1,0.0
[NH3+][C@H]1CC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)CC2c3ccccc3C=Cc3ccccc32)CC1,0.0
O=C1Cn2c(Cl)cnc(c2=O)N[C@@H](Cc2ccccc2)C[NH2+]CCCOc2ccc(Cl)cc2CN1,0.0
NC(=[NH2+])N1CCC[C@@H](CNC(=O)C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCCCC2)C1,0.0
NC(=[NH2+])N1CCC[C@H](NC(=O)CN2C(=O)[C@H](NS(=O)(=O)Cc3ccccc3)Cc3ccccc32)[C@H]1O,0.0
CS(=O)(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2cccc3ccccc23)CC1,0.0
O=C1Cn2c(Cl)cnc(c2=O)N[C@@H](Cc2ccccc2)CNC(=O)OC/C=C\COc2ccc(Cl)cc2CN1,0.0
NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1CC[C@H]2CN(C(=O)CCc3ccccc3)CC(=O)N21)C(=O)c1nc2ccccc2s1,0.0
Cn1c(CNc2ccc(C(N)=[NH2+])cc2)nc2cc(C(=O)N(CCC(=O)[O-])c3ccccc3)ccc21,0.0
CCc1nc2ccc(OC3CCN(C(C)=[NH2+])CC3)cc2n1Cc1ccc(-c2ccc(C(N)=[NH2+])cc2)cc1,0.0
CC(C)CCN(Cc1ccc2ccc(C(N)=[NH2+])cc2c1)C(=O)c1ccc2ccccc2c1,0.0
COc1ccc2c(c1)CC[C@H](NS(=O)(=O)c1ccc3ccccc3c1)C(=O)N2CC(=O)N[C@H]1CCCN(C(N)=[NH2+])[C@@H]1O,0.0
CC1CCN(C(=O)[C@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1,0.0
NC(=[NH2+])c1ccc2[nH]c(-c3cc(C(=O)[O-])cc(Br)c3O)c(Cc3ccccc3)c2c1,0.0
NC(=[NH2+])c1ccc2[nH]cc([C@@H](Cc3ccccc3)C(=O)Nc3ccc(-n4cnc5ccccc54)cc3F)c2c1,0.0
NC(=[NH2+])c1ccc(-n2c3ccccc3c3ccc(OCc4ccc5ccc(C(N)=[NH2+])cc5c4)cc32)cc1,0.0
CCc1nc2ccc(OC3CCN(C(C)=[NH2+])CC3)cc2n1Cc1cccc(-c2cccc(C(N)=[NH2+])c2)c1,0.0
NC(=[NH2+])c1cccc(Oc2ccc3c4ccccc4n(Cc4ccc5ccc(C(N)=[NH2+])cc5c4)c3c2)c1,0.0
NC(=[NH2+])c1cccc(Oc2ccc(NC(=O)Nc3ccccc3)c(Oc3cccc(C(N)=[NH2+])c3)n2)c1,0.0
CC1CCN(C(=O)N(Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1,0.0
CCc1nc2cc(OC3CCN(C(C)=[NH2+])CC3)ccc2n1Cc1cccc(-c2cccc(C(N)=[NH2+])c2)c1,0.0
CN(C)C(=O)COc1ccc2c3ccccc3n(Cc3ccc4ccc(C(N)=[NH2+])cc4c3)c2c1,0.0
O=C([O-])[C@@H]1[C@@H](CC2CC[NH2+]CC2)C(=O)N1C(=O)N1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1,0.0
O=C([O-])[C@@H]1[C@@H](CC2CC[NH2+]CC2)C(=O)N1C(=O)N1CCN(C(=O)CCCc2ccc3ccccc3c2)CC1,0.0
C[N@@H+]1CCCCCOc2ccc(Cl)cc2CNC(=O)Cn2c(Cl)cnc(c2=O)N[C@@H](Cc2ccccc2)C1,0.0
NC(=[NH2+])c1ccc(/C=C2\CC(c3ccccc3)C/C(=C\c3ccc(C(N)=[NH2+])cc3)C2=O)cc1,0.0
O=C([O-])[C@@H]1[C@@H](CC2CC[NH2+]CC2)C(=O)N1C(=O)N1CCN(C(=O)CCCCCc2ccc3ccccc3c2)CC1,0.0
NC(=[NH2+])c1cccc(C[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CC[NH2+]CC2)c1,0.0
NC(=[NH2+])c1ccc2ccc(Cn3c4ccccc4c4ccc(OC5CC[NH2+]CC5)cc43)cc2c1,0.0
O=C([O-])[C@@H]1[C@@H](CC2CC[NH2+]CC2)C(=O)N1C(=O)N1CCN(C(=O)Cc2ccc(-c3ccccc3)cc2)CC1,0.0
NC(=[NH2+])N1CCC[C@H](NC(=O)CN2C(=O)[C@@H](NS(=O)(=O)Cc3ccccc3)CCc3ccccc32)[C@H]1O,0.0
NC(=[NH2+])c1ccc(C[C@@H](NC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1,0.0
O=C([O-])[C@@H]1[C@@H](CC2CC[NH2+]CC2)C(=O)N1C(=O)N1CCN(C(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)CC1,0.0
Cc1cn(C)c(-c2cccc(Oc3cc(C(=O)[O-])cc(Oc4cc(C(N)=[NH2+])ccc4O)n3)c2)[nH+]1,0.0
O=C1Cn2c(Cl)cnc(c2=O)N[C@@H](Cc2ccccc2)[NH2+]CCCCCCOc2ccc(Cl)cc2CN1,0.0
CC(C)C1=NCCc2ccc(NC(=O)c3ccc4cc(C(N)=[NH2+])ccc4c3)cc21,0.0
CCc1nc2cc(OC3CCN(C(C)=[NH2+])CC3)ccc2n1Cc1ccc(-c2cccc(C(N)=[NH2+])c2)cc1,0.0
NC(=[NH2+])c1ccc2scc(C3(C(=O)Nc4ccc(-n5cnc6ccccc65)cc4)CC3)c2c1,0.0
CC(=[NH2+])N1CCC(Oc2ccc3c(nc(C)n3Cc3ccc4ccc(C(N)=[NH2+])cc4c3)c2[N+](=O)[O-])CC1,0.0
CCOC(=O)C1CCN(C(=O)[C@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1,0.0
NC(=[NH2+])c1ccc2cc(C(=O)Nc3ccc4c(c3)[C@@H](C3CCCC3)[NH2+]CC4)ccc2c1,0.0
NC(=[NH2+])c1ccc2cc(C(=O)Nc3ccc4c(c3)C(C3CCCC3)=NCC4)ccc2c1,0.0
[NH3+]Cc1ccc(Cl)c(NC(=O)CN2CCCC[C@@H](NC(=O)c3ccc(-c4ccccc4)cc3)C2=O)c1,0.0
O=C([O-])[C@@H]1[C@@H](CC2CC[NH2+]CC2)C(=O)N1C(=O)N1CCN(C(=O)Cc2ccc(OCc3ccccc3)cc2)CC1,0.0
NC(=[NH2+])c1ccc(-n2ccc3ccc(NC(=O)c4cccc(C(N)=[NH2+])c4)cc32)cc1,0.0
NC(=[NH2+])c1cccc(Oc2ccc(NC(=O)c3ccccc3)c(Oc3cccc(C(N)=[NH2+])c3)n2)c1,0.0
O=C([O-])[C@@H]1[C@@H](CC2CC[NH2+]CC2)C(=O)N1C(=O)N1CCN(C(=O)Cc2cccc(Oc3ccccc3)c2)CC1,0.0
NC(=[NH2+])c1cccc(CNc2ccc3ccn(-c4cccc(C(N)=[NH2+])c4)c3c2)c1,0.0
CC(C)[C@H]1[NH2+]CCc2ccc(NC(=O)c3ccc4cc(C(N)=[NH2+])ccc4c3)cc21,0.0
CC[C@@H]1CNCc2ccc(NC(=O)c3ccc4cc(C(N)=[NH2+])ccc4c3)cc21,0.0
COc1ccc2cc(S(=O)(=O)NN(Cc3cccc(C(N)=[NH2+])c3)C(=O)N3CCCCCC3)ccc2c1,0.0
O=C([O-])[C@@H]1[C@@H](CC2CC[NH2+]CC2)C(=O)N1C(=O)N1CCN(C(=O)CCCCCc2cccc3ccccc23)CC1,0.0
CC(=[NH2+])N1CCC(Oc2ccc(NCc3cccc(-c4cccc(C(N)=[NH2+])c4)c3)cc2[N+](=O)[O-])CC1,0.0
NC(=[NH2+])Nc1ccc(CNC(=O)N2CCN(C(=O)NC3CCC(c4ccccc4)(c4ccccc4)CC3)CC2)cc1,0.0
O=C([O-])[C@@H]1[C@@H](CC2CC[NH2+]CC2)C(=O)N1C(=O)N1CCN(C(=O)c2ccc3ccccc3c2)CC1,0.0
NC(=[NH2+])c1ccc(C(=O)NCC2CCN(C(=O)NCCC(c3ccccc3)c3ccccc3)CC2)cc1,0.0
NC(=[NH2+])c1ccc(C(=O)NCc2ccc(C(=O)NCCC(c3ccccc3)c3ccccc3)cc2)cc1,0.0
[NH3+]Cc1cccc(NC(=O)CN2CCCC[C@@H](NC(=O)c3ccc(C4CCCCC4)cc3)C2=O)c1,0.0
[NH3+]Cc1cccc(C2CCN(C(=O)c3cn(S(=O)(=O)c4ccccc4)c4ccccc34)CC2)c1,0.0
O=C([O-])[C@@H]1[C@@H](CC2CC[NH2+]CC2)C(=O)N1C(=O)N1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1,0.0
O=C([O-])[C@@H]1[C@@H](CC2CC[NH2+]CC2)C(=O)N1C(=O)N1CCN(C(=O)c2ccccc2CCc2ccccc2)CC1,0.0
[NH3+]Cc1cccc(C2CCN(C(=O)c3cn(C(=O)c4cccs4)c4ccccc34)CC2)c1,0.0
Cc1ccc(C2=CN=C(CCC(=O)N3CCN(C(=O)N4C(=O)[C@H](CC5CC[NH2+]CC5)[C@H]4C(=O)[O-])CC3)C2=O)cc1,0.0
O=C([O-])[C@@H]1[C@@H](CC2CC[NH2+]CC2)C(=O)N1C(=O)N1CCN(C(=O)CCCc2ccc3ccccc3c2)CC1,0.0
O=C([O-])[C@@H]1[C@@H](CC2CC[NH2+]CC2)C(=O)N1C(=O)N1CCN(C(=O)CCCCCc2ccc3ccccc3c2)CC1,0.0
O=C([O-])[C@@H]1[C@@H](CC2CC[NH2+]CC2)C(=O)N1C(=O)N1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1,0.0
[NH3+]Cc1cccc(C2CCN(C(=O)c3cn(CC4CCCCC4)c4ccccc34)CC2)c1,0.0
NC(=[NH2+])c1ccc(CNC(=O)N2CCN(C(=O)NCCC(c3ccccc3)c3ccccc3)CC2)cc1,0.0
O=C([O-])[C@@H]1[C@@H](CC2CC[NH2+]CC2)C(=O)N1C(=O)N1CCN(C(=O)Cc2ccc3ccccc3c2)CC1,0.0
O=C([O-])[C@@H]1[C@@H](CC2CC[NH2+]CC2)C(=O)N1C(=O)N1CCN(C(=O)Cc2ccc(-c3ccccc3)cc2)CC1,0.0
O=C([O-])[C@@H]1[C@@H](CC2CC[NH2+]CC2)C(=O)N1C(=O)N1CCN(C(=O)Cc2ccc3c(c2)CCCC3)CC1,0.0
O=C([O-])[C@@H]1[C@@H](CC2CC[NH2+]CC2)C(=O)N1C(=O)N1CCN(C(=O)c2ccc3ccccc3n2)CC1,0.0
O=C([O-])[C@@H]1[C@@H](CC2CC[NH2+]CC2)C(=O)N1C(=O)N1CCN(C(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)CC1,0.0
[NH3+]Cc1cccc(C2CCN(C(=O)c3cn(-c4cccnc4)c4ccccc34)CC2)c1,0.0
CC1=NN(c2ccc(C(=O)N3CCN(C(=O)N4C(=O)[C@H](CC5CC[NH2+]CC5)[C@H]4C(=O)[O-])CC3)cc2)C(=O)C1,0.0
O=C([O-])[C@@H]1[C@@H](CC2CC[NH2+]CC2)C(=O)N1C(=O)N1CCN(C(=O)Cc2ccc(CCCc3ccccc3)cc2)CC1,0.0
[NH3+]Cc1ccc(Cl)c(NC(=O)CN2CCCC[C@@H](NC(=O)c3ccc(-c4ccccc4)cc3)C2=O)c1,0.0
O=C([O-])[C@@H]1[C@@H](CC2CC[NH2+]CC2)C(=O)N1C(=O)N1CCN(C(=O)Cc2ccc(OCc3ccccc3)cc2)CC1,0.0
NC(=[NH2+])c1ccc(NC(=O)CC2CCN(C(=O)NCCC(c3ccccc3)c3ccccc3)CC2)cc1,0.0
[NH3+]Cc1cccc(C2CCN(C(=O)c3cn(-c4nccs4)c4ccccc34)CC2)c1,0.0
NC(=[NH2+])c1ccc2oc(C(=O)N3CCN(C(=O)COc4ccc(OCC(=O)N5CCCCC5)cc4)CC3)cc2c1,0.0
O=C([O-])[C@@H]1[C@@H](CC2CC[NH2+]CC2)C(=O)N1C(=O)N1CCN(C(=O)Cc2cccc(Oc3ccccc3)c2)CC1,0.0
O=C(NCc1ccccc1)Nc1ccc(C(=O)OCN2C(=O)c3ccccc3S2(=O)=O)cc1,0.0
O=C([O-])[C@@H]1[C@@H](CC2CC[NH2+]CC2)C(=O)N1C(=O)N1CCN(C(=O)CCCCCc2cccc3ccccc23)CC1,0.0
O=C(CCc1ccccc1)Nc1ccc(C(=O)OCN2C(=O)c3ccccc3S2(=O)=O)cc1,0.0
Cc1cccc(CCC(=O)N2CCN(C(=O)N3C(=O)[C@H](CC4CC[NH2+]CC4)[C@H]3C(=O)[O-])CC2)c1,0.0
O=C(NCc1ccc(C(=O)OCN2C(=O)c3ccccc3S2(=O)=O)cc1)Nc1ccccc1,0.0
[NH3+]Cc1cccc(C2CCN(C(=O)c3cn(CC4CC4)c4ccccc34)CC2)c1,0.0
[NH3+]CCCC[C@H](NC(=O)c1cccc(F)c1)C(=O)c1noc(Cc2ccc(C(=O)NCCc3cccc(Cl)c3)cc2)n1,0.0
NC(=[NH2+])c1ccc2oc(C(=O)N3CCN(C(=O)COc4ccc(OCC(=O)N5CC[NH2+]CC5)cc4)CC3)cc2c1,0.0
O=C([O-])[C@@H]1[C@@H](CC2CC[NH2+]CC2)C(=O)N1C(=O)N1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1,0.0
O=C(NCCc1ccccc1)c1ccc(C(=O)OCN2C(=O)c3ccccc3S2(=O)=O)cc1,0.0
[NH3+]CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(Cc2ccc(C(=O)NC3Cc4ccccc4C3)cc2)n1,0.0
O=C([O-])[C@@H]1[C@@H](CC2CC[NH2+]CC2)C(=O)N1C(=O)N1CCN(C(=O)CCCCCCc2cccc3ccccc23)CC1,0.0
O=C([O-])[C@@H]1[C@@H](CC2CC[NH2+]CC2)C(=O)N1C(=O)N1CCN(C(=O)Cc2ccc(Oc3ccccc3)cc2)CC1,0.0
C#CCN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1ccc(S(=O)(=O)n2ccc3ccccc32)cc1,0.0
C#CCN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1ccc(S(=O)(=O)c2ccccc2)cc1,0.0
C#CCN(Cc1cc2c(=O)[nH]c(C)nc2cc1C)c1ccc(C(=O)N[C@@H](C(=O)[O-])c2cccc([N+](=O)[O-])c2)c(F)c1,0.0
C#CCN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1ccc([S@](=O)c2ccccc2)c(Cl)c1,0.0
C#CCN(Cc1cc2c(=O)[nH]c(C)nc2cc1C)c1ccc(C(=O)NCc2ccccn2)c(F)c1,0.0
CC1=C(c2cn([C@@H]3C[C@@H](O)[C@@H](COP(=O)([O-])[O-])O3)c(=O)[nH]c2=O)C(=O)c2ccccc2C1=O,0.0
C#CCN(Cc1cc2c(=O)[nH]c(C)nc2cc1C)c1ccc(C(=O)N[C@H](CSc2nnn[n-]2)C(=O)[O-])c(F)c1,0.0
C#CCN(Cc1cc2c(=O)[nH]c(C)nc2cc1C)c1ccc(C(=O)N[C@H](C[S@](=O)c2cn[n-]n2)C(=O)[O-])c(F)c1,0.0
C#CCN(Cc1cc2c(=O)[nH]c(C)nc2cc1C)c1ccc(C(=O)N[C@H](C[S@](=O)c2nnn[n-]2)C(=O)[O-])c(F)c1,0.0
C#CCN(Cc1cc2c(=O)nc(C)[nH]c2cc1C)c1ccc(C(=O)N[C@H](CSc2cn[nH]n2)C(=O)[O-])c(F)c1,0.0
C#CCN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1ccc(C(=O)N[C@H](CCC(=O)NCc2ccccc2)C(=O)[O-])cc1,0.0
Cc1ccc(-c2cn([C@@H]3C[C@@H](O)[C@@H](COP(=O)([O-])[O-])O3)c(=O)[nH]c2=O)cc1,0.0
CN(Cc1ccnc(Sc2ccccc2)c1)c1ccc2c3c(cccc13)C(=[NH2+])N2,0.0
C#CCN(Cc1cc2c(=O)[nH]c(C)nc2cc1C)c1ccc(C(=O)N[C@H](CCCc2nnn[n-]2)C(=O)[O-])c(F)c1,0.0
C#CCN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1ccc(C(=O)N[C@H](Cc2cccc([N+](=O)[O-])c2)C(=O)[O-])cc1,0.0
C#CCN(Cc1cc2c(=O)[nH]c(C)nc2cc1C)c1ccc(C(=O)N[C@@H](CCc2nnn[n-]2)C(=O)[O-])c(F)c1,0.0
C#CCN(Cc1cc2c(=O)[nH]c(C)nc2cc1Br)c1ccc(C(=O)NCc2cccnc2)cc1,0.0
C#CCN(Cc1cc2c(=O)[nH]c(C)nc2cc1C)c1ccc(C(=O)NCc2nccs2)c(F)c1,0.0
Nc1nc2c(c(=O)[nH]1)-c1ccc(S(=O)(=O)Nc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)cc1CC2,0.0
Cc1nc2ccc3ccc(CNc4ccc5c(=O)n([C@@H](CCC(=O)[O-])C(=O)[O-])sc5c4)cc3c2c(=O)[nH]1,0.0
CN(Cc1ccc(S(=O)(=O)c2ccccc2)cc1)c1ccc2c3c(cccc13)C(=O)N2,0.0
Cc1nc2ccc3ccc(CNc4ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])c(F)c4)cc3c2c(=O)[nH]1,0.0
Nc1nc2c(c(=O)[nH]1)-c1cc(S(=O)(=O)Nc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)ccc1CC2,0.0
Cc1cc(CN(C)c2ccc3c4c(ccc(C)c24)C(=[NH2+])N3)ccn1,0.0
Cc1nc2ccc3ccc(S(=O)(=O)[N-]c4ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc4)cc3c2c(=O)[nH]1,0.0
CN(Cc1ccc(S(=O)(=O)c2ccccc2)cc1)c1ccc2c3c(cccc13)C(=[NH2+])N2,0.0
C#CCN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1ccc2c(c1)CN([C@@H](CCC(=O)[O-])C(=O)[O-])C2=O,0.0
C#CCN(Cc1ccc2nc(CN3CC[NH+](C)CC3)[nH]c(=O)c2c1)c1ccc(C(=O)NCc2cccc([N+](=O)[O-])c2)cc1,0.0
C#CCN(Cc1cc2c(=O)[nH]c(C)nc2cc1C)c1ccc(C(=O)N[C@@H](CCCSc2n[nH]c(=O)[nH]2)C(=O)[O-])c(F)c1,0.0
C#CCN(Cc1cc2c(=O)[nH]c(C)nc2cc1C)c1ccc(C(=O)N[C@@H](CCSc2nnn[n-]2)C(=O)[O-])c(F)c1,0.0
Cc1ccc2nc(N)[nH]c(=O)c2c1Sc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1,0.0
C/[NH+]=C1\Nc2ccc(N(C)Cc3ccc(S(=O)(=O)N4CCOCC4)cc3)c3c(C)ccc1c23,0.0
Cc1nc2ccc3ccc(CNc4ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])s4)cc3c2c(=O)[nH]1,0.0
C#CCN(Cc1cc2c(=O)[nH]c(C)nc2cc1C)c1ccc(C(=O)N[C@@H](CC[S@](=O)c2nnn[n-]2)C(=O)[O-])c(F)c1,0.0
Nc1nc2c(c(=O)[nH]1)C[C@@H](CCc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)CN2,0.0
C#CCN(Cc1cc2c(=O)[nH]c(C)nc2cc1C)c1ccc(C(=O)N[C@@H](CCC[S@](=O)c2nnn[n-]2)C(=O)[O-])c(F)c1,0.0
Nc1[nH]c2cc3c(cc2[nH+]1)CCCN3Cc1ccc(S(=O)(=O)N2CC[NH2+]CC2)cc1,0.0
C#CCN(Cc1ccc2nc(CSc3ncccn3)[nH]c(=O)c2c1)c1ccc(C(=O)NCc2cccc([N+](=O)[O-])c2)cc1,0.0
NC(=[NH2+])c1ccc(NC(=O)c2cc3cc4ccccc4cc3cc2O)cc1,0.0
Cc1ccc(C(=O)[O-])c(Oc2nc(Oc3cc(O)cc(-c4cccc(C[NH3+])c4)c3)c(F)cc2F)c1,0.0
NC(=[NH2+])c1ccc2cc(/C=C/c3cccc(CCO)c3)ccc2c1,0.0
NC(=[NH2+])c1cc2[nH]c(-c3cccc(OC[C@H]4CCC[NH2+]4)c3O)nc2cc1F,0.0
NC(=[NH2+])c1ccc2cc([C@H]3C[C@H]3c3ccc4c(c3)C(c3ccccc3)=[NH+]CC4)ccc2c1,0.0
NC(=[NH2+])c1ccc2cc(CCc3ccccc3)cc(-c3ccoc3)c2c1,0.0
NC(=[NH2+])c1ccc2cc(CCc3ccc4c(c3)CC[NH2+]C4)ccc2c1,0.0
NC(=[NH2+])c1ccc2cc([C@@H]3C[C@@H]3c3ccc4c(c3)C(C3CCCCC3)=NCC4)ccc2c1,0.0
NC(=[NH2+])c1ccc2oc(-c3cccc(-c4ccccc4)c3O)cc2c1,0.0
NC(=[NH2+])c1ccc2[nH]c(-c3cccc(-c4ccccc4)c3O)cc2c1,0.0
CN(C)c1ccc(C(=O)[O-])c(Oc2nc(Oc3cccc(-c4cccc(C[NH3+])c4)c3)c(F)c(N3CCOCC3)c2F)c1,0.0
CC(C)C1=NCCc2ccc(NC(=O)c3ccc4cc(C(N)=[NH2+])ccc4c3)cc21,0.0
CN(C)c1ccc(C(=O)[O-])c(Oc2nc(Oc3cccc(-c4cccc(C[NH3+])c4)c3)c(F)c(N3CC[NH2+]CC3)c2F)c1,0.0
NC(=[NH2+])c1ccc2cc(C(=O)Nc3ccc4c(c3)[C@@H](C3CCCC3)[NH2+]CC4)ccc2c1,0.0
NC(=[NH2+])c1ccc2cc(C(=O)Nc3ccc4c(c3)C(C3CCCC3)=NCC4)ccc2c1,0.0
CC(C)[C@@H]1c2cc([C@@H]3C[C@@H]3c3ccc4cc(C(N)=[NH2+])ccc4c3)ccc2CC[N@@H+]1C,0.0
NC(=[NH2+])c1ccc2cc(CCc3ccccc3)cc(Nc3ncccn3)c2c1,0.0
NC(=[NH2+])c1ccc2cc(C(=O)Nc3cccc(CC4CCCC4)c3)ccc2c1,0.0
CC(C)[C@H]1[NH2+]CCc2ccc(NC(=O)c3ccc4cc(C(N)=[NH2+])ccc4c3)cc21,0.0
CC[C@@H]1CNCc2ccc(NC(=O)c3ccc4cc(C(N)=[NH2+])ccc4c3)cc21,0.0
COc1ccc(C(=O)[O-])cc1-c1ccc2c(Cl)cnc(N=C(N)N)c2c1,0.0
CC(C)C1=NCCc2ccc(NC(=O)c3cc(Nc4ncccn4)c4cc(C(N)=[NH2+])ccc4c3)cc21,0.0
NC(=[NH2+])c1ccc2nc(-c3cc(Cl)cc(-c4cccc(N)c4)c3O)[nH]c2c1,0.0
NC(=[NH2+])c1ccc2cc(C#Cc3ccc4c(c3)CCNC4)ccc2c1,0.0
NC(=[NH2+])c1ccc2cc(C(=O)Nc3ccc4c(c3)CCCN4)ccc2c1,0.0
NC(=[NH2+])c1ccc2cc(C(=O)Nc3ccc4c(c3)CCC4)ccc2c1,0.0
NC(=[NH2+])c1ccc2cc(/C=C/c3ccccc3)cc(Nc3ncccn3)c2c1,0.0
CC(C)Oc1cccc([C@@H]2C[C@@H]2c2ccc3cc(C(N)=[NH2+])ccc3c2)c1,0.0
NC(=[NH2+])c1ccc2cc([C@H]3O[C@@H]3c3ccccc3)ccc2c1,0.0
NC(=[NH2+])c1ccc2cc(C(=O)Nc3cccc(Oc4ccccc4)c3)ccc2c1,0.0
NC(=[NH2+])c1ccc2[nH]c(-c3cc(-c4nnn[n-]4)cc(Br)c3[O-])c(Cc3ccccc3)c2c1,0.0
NC(=[NH2+])c1ccc2cc(C(=O)Nc3ccc4c(c3)OCO4)ccc2c1,0.0
NC(=[NH2+])c1cc2[nH]c(-c3cccc(OC[C@@H]4CCCO4)c3O)nc2cc1F,0.0
NC(=[NH2+])c1ccc2[nH]c(-c3cccc(OC4CCCC4)c3O)cc2c1,0.0
O=C(Nc1ccc(-c2ccc3ccccc3c2)cc1)Nc1ccc2c(c1)NC(=O)/C2=C\c1ccc[nH]1,0.0
O=C(Nc1ccc(Oc2ccc3[nH]/c(=N/C(=O)c4cccnc4)[nH]c3c2)cc1)Nc1cc(C(F)(F)F)ccc1F,0.0
c1ccc(COc2ccc3c(-c4nc5cc(N6CCC([NH+]7CCCCC7)CC6)ccc5[nH]4)n[nH]c3c2)cc1,0.0
Cc1cccc(NC(=O)Nc2ccc(-c3cnc4c(-c5ccccc5)cnn4c3N)cc2)c1,0.0
C[NH+]1CCN(C(=O)c2ccc3[nH]c(-c4cc5ccccc5[nH]c4=O)cc3c2)CC1,0.0
Cn1ncc2c1CCc1c-2c2c(c3c4cc([C@@H]5CCCCO5)ccc4n(CCO)c13)CNC2=O,0.0
[NH3+][C@@H]1CCN(S(=O)(=O)c2ccc3[nH]c(-c4cc5ccccc5[nH]c4=O)cc3c2)C1,0.0
C[N@@H+]1CCC[C@@H](Oc2cccc3[nH]c(=O)c(-c4nc5ccccc5[nH]4)c(N)c23)C1,0.0
O=C(Nc1ccc(Oc2ccc3[nH]/c(=N/C(=O)c4ccco4)[nH]c3c2)cc1)Nc1cc(C(F)(F)F)ccc1F,0.0
Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3ccc(S(=O)(=O)C4CC[NH2+]CC4)cc3)nc12,0.0
Cn1cc2c(n1)CCc1c-2c2c(c3c4cc([C@@H]5CCCCO5)ccc4n(CCO)c13)CNC2=O,0.0
COc1cc2[nH+]ccc(Oc3ccc4c(NC(=O)c5cc(Cl)ccn5)nn(C)c4c3)c2cc1OC,0.0
CN1CCN(S(=O)(=O)c2ccc3[nH]c(-c4cc5ccccc5[nH]c4=O)cc3c2)CC1,0.0
CNc1nccc(-c2cccnc2Oc2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2C)n1,0.0
CC1(C)CC(NC(=O)c2cccc(-c3cc4nccc(Nc5cccc(O)c5)n4n3)c2)CC(C)(C)N1O,0.0
COC(=O)Nc1nc2nc(Oc3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)ccc2[nH]1,0.0
CC(=O)N1CCN(CCOc2ccc3[nH]c(-c4cc5ccccc5[nH]c4=O)cc3c2)CC1,0.0
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2C)cc1-c1ccc2nc(Nc3ccccc3)ncc2c1,0.0
CNc1ncc2cc(-c3cc(C(=O)Nc4cccc(C(F)(F)F)c4)ccc3C)ccc2n1,0.0
C[NH+]1CCN(Cc2ccc3[nH]c(-c4c(N)c5ccccc5[nH]c4=O)nc3c2)CC1,0.0
COc1cc2[nH+]ccc(Oc3ccc4oc(Nc5ccc(Cl)c(CN6CC[NH+](C)CC6)c5)nc4c3)c2cc1OC,0.0
O=c1[nH]c2ccccc2cc1-c1cc2cc(OCC[NH+]3CCCCC3)ccc2[nH]1,0.0
Fc1ccc2c(-c3nc4cc(N5CCC([NH+]6CCCCC6)CC5)ccc4[nH]3)n[nH]c2c1,0.0
CN(Cc1ccc(-c2[nH]nc3c2Cc2cc(CN4CC[NH+](C)CC4)ccc2-3)s1)C(=O)Nc1cc(F)cc(C(F)(F)F)c1,0.0
COc1cc2[nH+]ccc(Oc3ccc4nc(Nc5ccc(Cl)c(CN6CC[NH+](C)CC6)c5)[nH]c4c3)c2cc1OC,0.0
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1C(=O)Nc1cnc(Nc2ccc(N3CC[NH+](C)CC3)cc2)nc1,0.0
C[NH+]1CCN(c2cccc3[nH]c(=O)c(-c4nc5ccccc5[nH]4)c(N)c23)CC1,0.0
CNc1ncc2cc(-c3cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc3C)ccc2n1,0.0
COc1cc2nccc(Oc3ccc4c(c3)OCCN4C(=O)Nc3ccc(C)cc3)c2cc1OC,0.0
O=c1cc(-c2ccn3c(-c4ccccc4)cnc3c2)ccn1CCC[NH+]1CCCCC1,0.0
O=C(Nc1ccc(-c2ccccc2)cc1)Nc1ccc2c(c1)NC(=O)/C2=C\c1ccc[nH]1,0.0
C[NH+]1CCN(CC(=O)/N=c2/[nH]c3ccc(Oc4ccc(NC(=O)Nc5cc(C(F)(F)F)ccc5F)cc4)cc3[nH]2)CC1,0.0
CC(C)(C)NC(=O)Nc1ccc2[nH]nc(-c3nc4cc(N5CCC([NH+]6CCCCC6)CC5)ccc4[nH]3)c2c1,0.0
Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1N1Cc2cnc(N)nc2N(C)C1=O,0.0
Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cccnc5)c[nH+]c(N)c34)cc2)c1,0.0
O=c1[nH]c2ccccc2cc1-c1cc2cc(S(=O)(=O)N[C@@H]3CC[NH2+]C3)ccc2[nH]1,0.0
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1C#Cc1cnc2ccccc2n1,0.0
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1ccc2nc(NCCN3CCOCC3)ncc2c1,0.0
O=c1[nH]c2ccccc2cc1-c1cc2cc(OCCC[N@H+]3CC[C@H](C(=O)[O-])CC3)ccc2[nH]1,0.0
Cc1ccc(C2=Nc3c(N)ncnc3NCC2)cc1NC(=O)Nc1cccc(C(F)(F)F)c1,0.0
O=C1NC(=O)c2c1c(-c1ccccc1)cc1c2c2cc(O)ccc2n1CCN1CCOCC1,0.0
O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1oc3ccc(O)cc3c21,0.0
O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1[nH]c3ccc(O)cc3c21,0.0
O=C1NC(=O)c2c1c(-c1ccccc1)cc1c2c2cc(O)ccc2n1CCn1ccnc1,0.0
O=C1NC(=O)c2c1c(-c1ccccc1)cc1oc3ccc(O)cc3c21,0.0
O=C1NC(=O)c2c1c(-c1cccnc1)cc1[nH]c3ccc(O)cc3c21,0.0
Cn1c2cc(C(=O)NCCn3cccc3)c(O)cc2c2c3c(c(-c4ccccc4Cl)cc21)C(=O)NC3=O,0.0
O=C1NC(=O)c2c1c(-c1ccncc1)cc1[nH]c3ccc(O)cc3c21,0.0
Cn1c2cc(C(=O)NCC[NH+]3CCCC3)c(O)cc2c2c3c(c(-c4ccccc4Cl)cc21)C(=O)NC3=O,0.0
O=C1NC(=O)c2c1c(-c1ccsc1)cc1[nH]c3ccc(O)cc3c21,0.0
O=C1NC(=O)c2c1c(-c1cc[nH]c1)cc1[nH]c3ccc(O)cc3c21,0.0
O=C1NC(=O)c2c1c(-c1ccc[nH]1)cc1[nH]c3ccc(O)cc3c21,0.0
O=C1NC(=O)c2c1c(-c1cccs1)cc1[nH]c3ccc(O)cc3c21,0.0
O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1[nH]c3cc(CCCCn4cccc4)c(O)cc3c21,0.0
O=C1NC(=O)c2c1ccc1c2c2cc(O)ccc2n1CCC(=O)n1ccnc1,0.0
O=C1NC(=O)c2c1ccc1c2c2cc(O)ccc2n1CCC(=O)N1CCOCC1,0.0
Cn1c2cc(S(=O)(=O)NCC[NH+]3CCCC3)c(O)cc2c2c3c(c(-c4ccccc4Cl)cc21)C(=O)NC3=O,0.0
C[NH+]1CCN(CCCn2c3ccc(O)cc3c3c4c(ccc32)C(=O)NC4=O)CC1,0.0
O=C1NC(=O)c2c1ccc1[nH]c3ccc(O)cc3c21,0.0
NC(=O)CCn1c2ccc(O)cc2c2c3c(ccc21)C(=O)NC3=O,0.0
Cn1c2ccc(O)cc2c2c3c(ccc21)C(=O)NC3=O,0.0
Cn1c2cc([S@](=O)CCCn3cccc3)c(O)cc2c2c3c(c(-c4ccccc4Cl)cc21)C(=O)NC3=O,0.0
O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1[nH]c3cc(CCCC[NH+]4CCCC4)c(O)cc3c21,0.0
O=C([O-])CCn1c2ccc(O)cc2c2c3c(ccc21)C(=O)NC3=O,0.0
O=C1NC(=O)c2c1ccc1c2c2cc(O)ccc2n1CCCC(=O)N1CCOCC1,0.0
Cn1c2cc(CCCC[NH+]3CCCC3)c(O)cc2c2c3c(c(-c4ccccc4Cl)cc21)C(=O)NC3=O,0.0
Cn1c2cc(S(=O)(=O)NCCn3cccc3)c(O)cc2c2c3c(c(-c4ccccc4Cl)cc21)C(=O)NC3=O,0.0
O=C1NC(=O)c2c1ccc1c2c2cc(O)ccc2n1CCO,0.0
O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1c2c2cc(O)ccc2n1CCCNc1ccccc1,0.0
Cn1c2cc(CCCCn3cccc3)c(O)cc2c2c3c(c(-c4ccccc4Cl)cc21)C(=O)NC3=O,0.0
O=C1NC(=O)c2c1ccc1c2c2cc(O)ccc2n1CCCNc1ccccc1,0.0
Cn1c2cc(OCCCn3cccc3)c(O)cc2c2c3c(c(-c4ccccc4Cl)cc21)C(=O)NC3=O,0.0
Cn1c2cc(S(=O)(=O)CCC[NH+]3CCCC3)c(O)cc2c2c3c(c(-c4ccccc4Cl)cc21)C(=O)NC3=O,0.0
O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1[nH]c3cc(CCCCN4CCOCC4)c(O)cc3c21,0.0
O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1c2c2cc(O)c(CCCC[NH+]3CCCC3)cc2n1CCO,0.0
O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1[nH]c3cc(OCCC[NH+]4CCCC4)c(O)cc3c21,0.0
O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1c2c2cc(O)ccc2n1CCc1nnn[n-]1,0.0
Cn1c2cc(S(=O)(=O)CCCn3cccc3)c(O)cc2c2c3c(c(-c4ccccc4Cl)cc21)C(=O)NC3=O,0.0
O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1[nH]c3cc(OCCCN4CCOCC4)c(O)cc3c21,0.0
NC(=O)CCn1c2ccc(O)cc2c2c3c(c(-c4ccccc4Cl)cc21)C(=O)NC3=O,0.0
O=C1NC(=O)c2c1c(-c1ccccc1)cc1c2c2cc(O)ccc2n1CCCNc1ccccc1,0.0
O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1c2c2cc(O)ccc2n1CCCC(=O)n1ccnc1,0.0
C[NH+](C)CCNC(=O)CCn1c2ccc(O)cc2c2c3c(ccc21)C(=O)NC3=O,0.0
O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1c2c2cc(O)ccc2n1CCC(=O)n1ccnc1,0.0
O=C1NC(=O)c2c1c(-c1c(Cl)cccc1Cl)cc1c2c2cc(O)ccc2n1CCC(=O)N1CCOCC1,0.0
O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1c2c2cc(O)ccc2n1CCCc1nnn[n-]1,0.0
Cc1cccc(CCc2cccc(CCC3=C(O)C(=O)C=C([O-])C3=O)c2)c1,0.0
O=C1C=C([O-])C(=O)C(CCc2cccc(CCc3ccccc3)c2)=C1O,0.0
C[C@H]([NH3+])C(=O)N[C@H]1CCC[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O,0.0
CC(C)[C@H](NC(=O)[C@H](C)[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-],0.0
CC[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@H]2CC[C@@H](C(=O)N[C@@H](c3ccccc3)c3ccc4ccccc4c3)N2C1=O,0.0
CC[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@H]2CC[C@@H](C(=O)N[C@H](c3ccccc3)c3ccc4ccccc4c3)N2C1=O,0.0
CC[C@H]([NH3+])C(=O)N[C@@H]1C(=O)N2[C@@H](CC[C@@H]1CCO)CC[C@H]2C(=O)NC(c1ccccc1)c1ccccc1,0.0
CC(C)[C@H](NC(=O)[C@H](C)[NH3+])C(=O)N1CC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-],0.0
C[NH2+][C@@H](C)C(=O)N[C@H]1CCCC[C@H]2[C@@H](Cc3ccccc3)C[C@@H](C(=O)N[C@@H]3CCCc4ccccc43)N2C1=O,0.0
CC[C@H]([NH3+])C(=O)N[C@@H]1C(=O)N2[C@@H](CC[C@@H]1CNC(N)=O)CC[C@H]2C(=O)NC(c1ccccc1)c1ccccc1,0.0
C[C@H]([NH3+])C(=O)N[C@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-],0.0
C[NH2+][C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-])C(C)C,0.0
CCCCc1cccc(CCC2=C(O)C(=O)C=C([O-])C2=O)c1,0.0
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)[NH3+])C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-],0.0
CC[C@H]([NH3+])C(=O)N[C@H]1CCC[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O,0.0
CC[C@H]([NH2+]C)C(=O)N[C@@H]1C(=O)N2[C@@H](CC[C@@H]1CCO)CC[C@H]2C(=O)NC(c1ccccc1)c1ccccc1,0.0
CC(C)[C@H](NC(=O)[C@H](C)[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-],0.0
CC(C)[C@@H](NC(=O)[C@H](C)[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-],0.0
CC[C@H]([NH2+]C)C(=O)N[C@H]1CCC[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O,0.0
CC[C@H]([NH2+]C)C(=O)N[C@@H]1C(=O)N2[C@@H](CC[C@@H]1C[NH3+])CC[C@H]2C(=O)NC(c1ccccc1)c1ccccc1,0.0
CC[C@H]([NH3+])C(=O)N[C@@H]1CC[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O,0.0
C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@H](NC(=O)c3cccc4ccccc34)[C@H]21)C(C)(C)C,0.0
CC(C)[C@H](NC(=O)[C@H](C)[NH3+])C(=O)N(C)CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-],0.0
C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@H](NC(=O)c3ccc(F)c4ccccc34)[C@H]21)C(C)(C)C,0.0
CC[C@H]([NH3+])C(=O)N[C@@H]1C(=O)N2[C@@H](CC[C@@H]1C[N@H+](C)Cc1ccccc1)CC[C@H]2C(=O)NC(c1ccccc1)c1ccccc1,0.0
CC[C@H]([NH3+])C(=O)N[C@@H]1C(=O)N2[C@@H](CC[C@@H]1C[NH2+]Cc1ccccc1)CC[C@H]2C(=O)NC(c1ccccc1)c1ccccc1,0.0
CC[C@H]([NH3+])C(=O)N[C@@H]1C(=O)N2[C@@H](CC[C@@H]1CNC(=O)c1ccccc1)CC[C@H]2C(=O)NC(c1ccccc1)c1ccccc1,0.0
C[C@H]([NH3+])C(=O)N[C@H]1CC[C@@H]2CC[C@@H](C(=O)NCc3ccccc3)N2C1=O,0.0
C[NH2+][C@@H](C)C(=O)N[C@H]1Cc2ccccc2[C@H]2CCC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O,0.0
CC(C)[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-],0.0
CC(C)[C@H](NC(=O)[C@H](C)[NH3+])C(=O)N1CCC[C@H]1C(=O)NCc1ccccc1,0.0
C[C@H]([NH3+])C(=O)N[C@H]1CCC[C@H]2CC[C@@H](C(=O)NCc3ccccc3)N2C1=O,0.0
C[NH2+][C@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C1CCCCC1,0.0
CC[C@H]([NH3+])C(=O)N[C@@H]1C(=O)N2[C@@H](CC[C@@H]1CNC(=O)C[NH3+])CC[C@H]2C(=O)NC(c1ccccc1)c1ccccc1,0.0
C[NH2+][C@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C1CCCCC1,0.0
C[NH2+][C@@H](C)C(=O)N[C@H]1Cc2ccccc2[C@H]2CC[C@@H](C(=O)N[C@@H]3CCCc4ccccc43)N2C1=O,0.0
C[NH2+][C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@@H](C(=O)N[C@@H]3CCCc4ccccc43)N2C1=O,0.0
C[NH2+][C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@@H](C(=O)N[C@H]3CCCc4ccccc43)N2C1=O,0.0
CC[C@@H](C(=O)N[C@H]1CCCC[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O)[NH+]1CCCC1,0.0
CC[C@H]([NH3+])C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccccc1)C(C)C,0.0
C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@H](NC(=O)c3ccc(C)c4ccccc34)[C@H]21)C(C)(C)C,0.0
C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCCc1ccccc1)C(C)(C)C,0.0
C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NC1c2ccccc2-c2ccccc21)C(C)(C)C,0.0
C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@H](NC(=O)c3coc4ccccc34)[C@H]21)C(C)(C)C,0.0
C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@H](NC(=O)c3ccccc3)[C@H]21)C(C)(C)C,0.0
Cc1cc(C(=O)Nc2cccc([C@H](C)Nc3cncc(Cl)n3)c2)ccn1,1.0
C[NH2+][C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4,1.0
COCCOCC#Cc1cc(-c2n[nH]c3c2Cc2ccc(Cn4cncn4)cc2-3)cs1,1.0
CS(=O)(=O)c1cccc(-c2c[nH+]c(N)c3c(-c4ccc(F)c(Cl)c4)csc23)c1,1.0
N#Cc1ccc(C(=O)Nc2ccc(N3CCS(=O)(=O)CC3)cc2N2CCCCC2)o1,1.0
COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1,1.0
Cc1cc(-c2c(C3=CCCCC3)c3cc(Cl)ccc3[nH]c2=O)on1,1.0
c1ccc(-c2n[nH]c3c2oc2ccccc23)cc1,1.0
Cc1ccc(Nc2nc(N(C)c3ccc4c(C)n(C)nc4c3)cc[nH+]2)cc1S(N)(=O)=O,1.0
Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NC[C@@H](O)CN1CCOCC1,1.0
Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21,1.0
C[NH+]1CCN(c2ccc(Nc3ncc4c(=O)c(C(N)=O)cn([C@@H]5C[C@@H]6CC[C@H]5C6)c4n3)cc2)CC1,1.0
Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1,1.0
Cc1cccc(N(C)c2ncnc3n[nH]cc23)c1,1.0
Cc1cccc(C)c1/C=C/n1cnc2c(Nc3ccc(P(C)(C)=O)cc3)ncnc21,1.0
Cn1cc(-c2cnc(N)c(NCc3c(Cl)cccc3Cl)n2)cn1,1.0
COc1cc2[nH+]cc(C(N)=O)c(Nc3cccc(Cl)c3Cl)c2cc1NCC[NH+](C)C,1.0
COc1ccc2cc(-c3c(-c4ccncc4)nc(-c4ccc([S@@](C)=O)cc4C)n3C)ccc2c1,1.0
O=C(Cn1cc(Nc2nncc3cc(OCCC[N@@H+]4CCC[C@@H]4CO)ccc23)cn1)Nc1cccc(F)c1F,1.0
CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1,1.0
C[C@H]1CC=C(c2cc(C3CC[NH2+]CC3)ccc2NC(=O)c2ncc(C#N)[n-]2)CC1,1.0
COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC(C)(C)O)n(-c5ccccc5)c4=O)nc3)cc[nH+]c2c1,1.0
Cc1nnc(-c2ccc(-c3cc(NC(=O)c4ccc(CN5CC[NH+](C)CC5)cc4)ccc3C)c(C)c2)o1,1.0
Nc1n[nH]c2nccc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c12,1.0
CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Cl)c(OC[C@@H]5CCC[N@@H+]5C)c4)nc3c2)ccn1,1.0
Cc1nc(N2CCN(CCO)CC2)cc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)[nH+]1,1.0
O=C(Nc1cccc(Cl)c1)Nc1ncc(CCNc2ncnc3ccsc23)s1,1.0
NC(=O)c1cnc2cc(-c3ccncc3)ccc2c1Nc1ccccc1,1.0
CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21,1.0
COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC,1.0
COc1cc2c(N3CCN(C(=O)Nc4ccc(OC(C)C)cc4)CC3)ncnc2cc1OCCC[NH+]1CCCCC1,1.0
Cn1cnc(-c2c(-c3ccccc3)c3cc(C#N)ccc3[nH]c2=O)c1,1.0
Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2ccncc2c1,1.0
C[NH+]1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1,1.0
CC[NH+]1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1,1.0
O=C(Nc1ccccc1N1C=CC=CC=C1)c1ccc([N+](=O)[O-])o1,1.0
CCOC(=O)c1nc2cnc(Nc3ccccc3)nc2n(-c2ccccc2)c1=O,1.0
O=C(Nc1cncnc1)c1c(Cl)ccc2c(Nc3cccc(C(F)(F)F)c3)noc12,1.0
Cc1ccc(NC(=O)c2cccc(N(C)S(C)(=O)=O)c2)cc1NC(=O)c1ccc2ncccc2c1,1.0
CC[N@@H+]1CCC[C@@](O)(c2cccc(Nc3ncc4c(=O)c(C(=O)NOC)cn(-c5cnc6c(c5)CCC6)c4n3)c2)C1,1.0
N#Cc1c[n-]c(C(=O)Nc2ccc(-c3cccc[n+]3[O-])cc2C2=CCCCC2)n1,1.0
Cc1cc(C)cc(C(=O)Nc2ccc(Cl)c(C(=O)Nc3cncs3)c2)c1,1.0
CCCC(=O)N1CCc2c([nH]c3ccc(C)cc23)[C@@H]1c1c[nH]c2ccccc12,0.0
O[C@H]1[C@H](O)[C@@H](O)C[N@H+]2CC[C@@H](O)[C@@H]12,0.0
NS(=O)(=O)c1nnc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3c(F)c(F)c(F)c(F)c3F)cc2)s1,0.0
[NH3+][C@H](CCc1cc(-c2ccc3cnccc3c2)no1)Cc1ccc(C(F)(F)F)cc1,0.0
O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,0.0
CO/N=C/[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,0.0
c1sc2[n+](c1CS/C(N[C@H]1[C@@H]3C[C@H]4C[C@@H](C3)C[C@@H]1C4)=[NH+]\C1CCCCC1)CCN2,0.0
O=C1N=C([CH-]c2ccccc2)N=C2N=C([C-]3C=CNC(/C=C/c4ccccc4)=C3)C=C12,0.0
CCCCCCCC[S@+](C)C[C@@H](P(=O)([O-])[O-])[P@@](=O)([O-])O,0.0
CN1C(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]45CCC(=O)O5)[C@@H]3CC[C@@H]12,0.0
[O-][n+]1ccc2[nH+]cn(CCOc3ccc(Cc4ccccc4)cc3)c2c1,0.0
C=C[C@H](O)[C@H](NC(C)=O)[C@@H]1[NH2+][C@@H](C(=O)[O-])C[C@H]1/C=C\C,0.0
N#C/C(=C(/N)Sc1ccccc1N)c1cccc([C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c1,0.0
CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/Br)Oc1ccc(F)cc1-3,0.0
Clc1ccc(C2(c3ccc(-c4ncnc5nc[nH]c45)cc3)CC[NH2+]CC2)cc1,0.0
O=C([O-])c1cc2c3cc([N+](=O)[O-])c(Cl)cc3nc([O-])n2n1,0.0
CNc1nccc(-c2cccnc2Oc2ccc(Nc3nc4ccccc4o3)c3ccccc23)n1,0.0
NC(=[NH2+])c1ccc2cc(/C=C/c3ccc4c(c3)CC[NH2+]C4)ccc2c1,0.0
C[NH+]1CCN(c2ccc(Nc3cc[nH+]c4ccc(-c5ccc(Br)cc5)cc34)cc2)CC1,0.0
OC[C@@]12CC=C[C@@H](C1)[C@H](c1ccc(O)cc1)CC2,0.0
COc1cc2c(cc1OC)C(=O)[C@@H](C[C@H]1CC[N@H+](CC3CCCCC3)CC1)C2,0.0
O=C1C=C(S(=O)(=O)[O-])[C@H]2C=CC=C[C@H]2C1=O,0.0
[NH3+][C@H]1C[C@@H](N2Cc3cncnc3C2)CC[C@@H]1c1cc(F)c(F)cc1F,0.0
Nc1nc(N)c(CCCNc2cnc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])s2)c(=O)[nH]1,0.0
C#Cc1ccc(CNc2nc(-c3cccc(C)n3)c(C3=CC=C4OCO[C@H]4C3)[nH]2)cc1,0.0
C1CCc2nnc([C@]34C[C@H]5C[C@H](C[C@H](C5)C3)C4)n2CC1,0.0
CNC(=O)c1ccc2c(c1)C(=O)c1ccc(C(=O)NC)cc1S2(=O)=O,0.0
c1ccc(-c2sc(-c3ccccc3)c3ccccc23)cc1,0.0
NC1=[NH+][C@H](c2ccco2)Nc2c(F)ccc(F)c21,0.0
COc1cc(-c2cc(C)cc(C)c2)cc([C@H](C)C#Cc2c(N)nc(N)[nH+]c2C)c1,0.0
Cn1[nH+]c(S([NH-])(=O)=O)s/c1=N\S(=O)(=O)c1ccc(NCc2cc(=O)oc3cc(Cl)ccc23)cc1,0.0
C=CCNc1c(O)cc2c(O)c1C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@H](OC(N)=O)[C@@H](OC)/C=C\C=C(/C)C(=O)N2,0.0
Cc1ncoc1-c1nnc(SCCC[N@@H+]2C[C@@H]3C[C@]3(c3ccc(F)c(C(F)(F)F)c3)C2)n1C,0.0
CCc1c(C)[nH]n(-c2nnn[n-]2)c1=O,0.0
N#Cc1ccc2cc1Oc1ccc(C#Cc3ccccc3)c(c1)CN1CCN(CC1=O)Cc1cncn1C2,0.0
CC(C)(C)[NH2+]C[C@@H](O)CON=C1c2ccccc2-c2ccccc21,0.0
[H]/N=C1\CS(=O)(=O)O[C@]12[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](n1cc(C)c(=O)[nH]c1=O)O[C@@H]2CO[Si](C)(C)C(C)(C)C,0.0
C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@H](NC(=O)N(C)c3ccc(F)cc3)[C@H]21)C(C)(C)C,0.0
O=C([O-])C(=O)CC(=O)c1cn(Cc2ccccc2F)c(=O)n(Cc2ccccc2F)c1=O,0.0
N#CN/C(=N/CC1CCN(C(N)=O)CC1)N1CCC(=C2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CC1,0.0
Nc1nc(N2CC[NH2+]CC2)c2c([nH+]1)C1=C(CC2)O[C@H]2CCCC[C@@H]12,0.0
Nc1nccn2c1c(-c1ccc3ccc(-c4ccccc4)nc3c1)nc2[C@H]1C[C@H]([NH+]2CCCCC2)C1,0.0
CC(=O)N1CCN(C(=O)/C=C/c2ccc(Sc3ccc4c(c3)OCCO4)c(Cl)c2Cl)CC1,0.0
CC(C)(C)c1ccc2c(c1)[C@H]1OCCC[C@H]1[C@H](c1ccc(Cl)s1)N2,0.0
Nc1nccc(Oc2ccc(NC(=O)NC(=O)Cc3ccc(F)cc3)cc2F)c1C#CCO,0.0
N#Cc1cc(F)cc(-c2ccc3[nH]c(=S)n(C4CCC4)c3c2)c1,0.0
C[C@@]1([NH3+])Cc2cccc(c2)CC[C@H](c2ccccc2)NC(=O)c2cc(cc(N(c3ccccc3)S(C)(=O)=O)c2)COC1=O,0.0
Nc1ncc2c(n1)c(-c1cc(-c3cc4ccccc4s3)c3[nH]ncc3c1)cn2CC[NH3+],0.0
Nc1[nH]c([O-])c(C2=C3C(=Nc4ccccc43)C(=O)NCC2)[nH+]1,0.0
C[C@@H]1CC(C)(C)O[C@@]2(CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@@]32C)O1,0.0
[H]/[O+]=C(C)\N=c1/[nH]c(-c2ccc3ncnn3c2)c(-c2ccc(F)c(C)n2)[nH]1,0.0
CC(C)c1cc(CCC[NH2+]Cc2cccc(/N=C(/N)c3cccs3)c2)cc(C(C)C)c1O,0.0
CC(=O)O[C@H]1C[C@H]2[C@@](C)(CC[C@H]3C(C)(C)CCC[C@]23C)[C@H]2CC=C(C=O)[C@H](C=O)[C@@]12C,0.0
O=C1Cc2cc(Nc3ncc(C(F)(F)F)c(N[C@@H]4CCCCNC4=O)n3)ccc2N1,0.0
CC(C)C[C@H](C=O)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)OCc1ccccc1,0.0
Oc1cc2c(cc1O)[C@@H]1c3ccc(O)c(O)c3OC[C@]1(O)C2,0.0
O=S(=O)(c1cccc2nonc12)n1ccc2ncc(-c3cnn(C4CC[NH2+]CC4)c3)cc21,0.0
COc1ccc(-c2[nH]nc3c2C(=O)c2c(NC(=O)NN4CCOCC4)cccc2-3)cc1,0.0
Cc1cc(-c2cccc3cc[nH]c23)c(Cl)c2c1NC(C)(C)C[C@@H]2C,0.0
CC1(C)[NH+]=C(N)N=C(N)N1c1cccc(SCc2ccc(Cl)cc2)c1,0.0
Cn1ccc2c1CCc1c-2n(C)c2ccc(O)cc12,0.0
Cc1cccc(C#N)c1Oc1ccc2ncnc(Nc3ccn(C)n3)c2c1,0.0
CON1CC/C(=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1=O,0.0
c1cc(C[N@H+]2CCCNCCNCC[NH2+]CCC2)ccc1CN1CCCNCCNCC[NH2+]CCC1,0.0
O=C(/C=C/C#Cc1ccc(NS(=O)(=O)c2ccccc2)cc1)NO,0.0
CCN(CC)C(=O)[C@@H]1OC(C(O)O)=C[C@H](N)[C@H]1NC(C)=O,0.0
c1ccc2c(NCCc3cocc3CCNc3c4c([nH+]c5ccccc35)CCCC4)c3c([nH+]c2c1)CCCC3,0.0
C[C@H](CCC(=O)Nc1ccc(S(N)(=O)=O)cc1Cl)[C@H]1CC[C@H]2[C@H]3C(=O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C,0.0
CC(C)c1ccc2c(c1)-c1nc(N)nc(-c3ccc(Br)o3)c1C2,0.0
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC1=CC[C@@H](C2=CC(=O)O[C@@H]2O)O[C@@H]1O,0.0
NC(=[NH2+])c1cccc(-n2nc(Cn3cc[nH+]c3)cc2C(=O)Nc2ccc(-n3cnc4ccccc43)cc2)c1,0.0
O=C(O[C@@H]1C[NH2+]C[C@@H]1Cc1ccc(O)cc1)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)[O-])c(O)c1,0.0
c1ccc(C[NH2+]Cc2ccc(CN(Cc3nc4ccccc4[nH]3)[C@@H]3CCCc4cccnc43)cc2)nc1,0.0
N#Cc1cc(C=O)cc(O)c1[O-],0.0
[H]/N=c1\[nH]c(N2CC[N@@H+]3C[C@@H](COc4ccc5ncccc5c4)CC[C@H]3C2)nc2nc(-c3ccco3)nn12,0.0
CC(C)c1ccc(/C=C/C[C@H](C[C@H]([NH3+])C(=O)[O-])C(=O)[O-])cc1,0.0
CC(C)C#C[C@@]1(C(F)(F)F)OC(=O)Nc2cccc(F)c21,0.0
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO,0.0
N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H]1C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)CN1,0.0
Cc1ccc[nH+]c1N[C@@H](P(=O)([O-])[O-])[P@](C)(=O)[O-],0.0
O=c1[nH]c2cc(Cl)c(Cl)cc2cc1P(=O)([O-])[O-],0.0
O=C1C[C@H](O)C[C@@H](CCc2c(Cl)cc(Cl)cc2Cc2ccccc2)O1,0.0
O=C1CN(c2cc(-c3ccc[nH]3)ccc2O)S(=O)(=O)N1,0.0
CCCc1nc(-c2cccnc2)cn2c(CC(=O)N[C@@H](CC3CCCCC3)[C@@H](O)C3CCCCC3)nnc12,0.0
C/C(=C\c1ncc(C(=O)[O-])s1)c1cc2c(cc1C)C(C)(C)CCC2(C)C,0.0
O=C1NCN(c2ccccc2)[C@]12CC[N@H+](CCCN(c1ccc(F)cc1)c1ccc(F)cc1)CC2,0.0
O=P([O-])([O-])[C@](O)(C[C@H]1CCCC[NH2+]1)[P@@](=O)([O-])O,0.0
O=C(N[C@H](CO)c1cccc(F)c1)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1,0.0
COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cn1cc(C)[nH+]c1C)C(F)(F)F,0.0
CC(C)(c1cc(-c2cccc(/C=C(/c3ccc(S(C)(=O)=O)cc3)c3ncno3)c2)c2ncccc2c1)S(C)(=O)=O,0.0
CC#CCn1c(N2CCC[C@@H]([NH3+])C2)nc2cnn(Cc3[nH+]c(C)cc4ccccc34)c(=O)c21,0.0
O=C(Nc1nccs1)c1c([O-])n2c3c(cccc13)Sc1ccccc1-2,0.0
COc1cc(Nc2ncc3ccn(-c4cccc(CCc5nnn[n-]5)c4)c3n2)cc(OC)c1OC,0.0
NC(=O)c1nn(-c2ccc3onc(N)c3c2)c2c(F)c(-c3ccc(N4CCCCC4=O)cc3F)ccc12,0.0
CCCCCCCCCn1cc(C[NH2+][C@@H]2[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]2O)nn1,0.0
C[NH+](C)CCOc1ccc(-c2cccc(N)[nH+]2)c2c1[C@@H]1CC[C@H]2C1,0.0
CCOc1ccc(CCC[C@H]2C(=O)N[C@H](C(=O)NC)Cc3ccc(cc3)OCCCC[C@@H]2C(=O)NO)cc1,0.0
C=CCCC[C@H](OC(=O)[C@@H]1CCCCN1C(=O)C(=O)[C@]1(O)OCCC[C@H]1C)/C(C)=C/[C@@H]1CC[C@@H](O)[C@H](OC)C1,0.0
Cc1ccc(-c2snnc2-c2cc(Cl)c(O)cc2O)cc1,0.0
C[C@H]1CNc2c(cccc2S(=O)(=O)N[C@H]2CCC[C@H]3CC[C@@H](C(=O)N[C@H]4CCCN(C(N)=[NH2+])[C@@H]4O)N3C2=O)C1,0.0
CC(C)(C)c1nc2c3cc[nH]c(=O)c3c3cc(F)ccc3c2[nH]1,0.0
Nc1cccc(Cn2c(-c3ccc(Oc4cccnn4)cc3)ccc2-c2ccccc2Cl)n1,0.0
NC(=[NH2+])NOCCNC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2ccc(F)c3ccccc23)c1F,0.0
Cc1ccc2c3c(ccc(N(C)Cc4ccnnc4)c13)NC2=[NH2+],0.0
CCN1c2ncc(COc3ccc4[nH]ccc4c3)cc2C(=O)N(C)c2ccc(Cl)nc21,0.0
Oc1ccc2c(c1)sc1cc3ccc(O)cc3c(-c3ccc([C@@H](O)CC[NH+]4CCCCC4)cc3)c12,0.0
N#CC[C@@H](c1cccnc1)c1c[nH]c2c(=O)[nH]cnc12,0.0
C[C@](Cc1ccc(C(F)(F)P(=O)([O-])[O-])cc1)(c1ccccc1)n1nnc2ccccc21,0.0
CC(=C/C=C\C(C)=C\C(=O)[O-])/C=C1\CCCc2ccccc21,0.0
COc1ccccc1COCCCOc1ccc([C@H]2CC[NH2+]C[C@@H]2OCc2cc(OC)c3ccccc3c2OC)cn1,0.0
C[C@H]1CNc2c(sc3ccc4nc(-c5cncnc5)ccc4c23)C(=O)N1,0.0
CN(C)c1cccc2c(S(=O)(=O)NCCCCCC(=O)NC[C@H]3[NH2+][C@H](CO)[C@H](O)[C@@H]3O)cccc12,0.0
[NH3+][C@H]1[C@@H]2CC[C@@]1(O)[C@@H](O)[C@H](O)C2,0.0
C[C@H](Nc1cc(-c2ccoc2)nc(-n2c[nH+]c3ccncc32)n1)c1ccccc1,0.0
O=C([O-])[C@@H]1CCCC[C@@H]1c1[nH]nc([S-])[nH+]1,0.0
Cc1cccc(-c2cc([O-])c(Sc3ccccc3C(C)C)c(=O)o2)c1,0.0
C[C@@H]1CN(c2ncccc2N)C[C@H](C)N1C(=O)c1cc(Cl)c(N)c(Cl)c1,0.0
COC1=CC(=O)C([O-])=C(C[C@@]2(C)CC[C@]3(C)C(C)=CCC[C@H]3[C@H]2C)C1=O,0.0
Fc1ccc(Cl)cc1-c1nc(Nc2ccncc2)c2nccnc2n1,0.0
O=C1OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccc3ccccc3c21,0.0
CCOC(=O)c1cc(CCn2cnc3c2NC=[NH+]C[C@@H]3O)c2c(c1Br)CCCC2,0.0
Cc1cc2cc(N/C(=N\C(=O)c3ccc(C(=O)[O-])cc3)N[C@H]3CCCCN(CC(=O)N4CCCC4)C3=O)ccc2o1,0.0
O=C1N[C@@H]2C(=C[C@H](O)[C@@H](O)[C@H]2O)c2cc3c(c(O)c21)OCO3,0.0
N#Cc1c[n-]c(C(=O)Nc2ccc(-c3ccncc3)cc2C2=CCCCC2)n1,0.0
O=C(NCc1cccc(-c2cccc(-c3cc4c[nH+]ccc4[nH]3)c2O)c1)Nc1ccsc1,0.0
Cn1c(C#N)ccc1-c1ccc2c(c1)[C@](C)(c1ccsc1)OCC(=O)N2,0.0
FC(F)(F)c1cccc(Nc2ccccc2-c2nnc([S-])o2)c1,0.0
NS(=O)(=O)Nc1ccc(-c2ccc3c(c2)C(F)(F)OC(F)(F)O3)cc1,0.0
Cc1cc(-c2ncsc2Cl)c2cccc(OCc3c(C)ccnc3Cn3cccc(C(F)(F)F)c3=O)c2n1,0.0
[O-]c1ncnc2c(C[N@@H+]3C[C@H](CO)[C@@H](O)C3)c[nH]c12,0.0
O=c1ccc2c([C@@H](O)C[NH2+]C3Cc4ccccc4C3)ccc([O-])c2[nH]1,0.0
[NH3+][C@H]1CC(C[N@@H+]2CCc3ccccc3C2)=CC[C@@H]1c1cc(F)c(F)c(F)c1,0.0
C[C@](O)(COC(=O)c1ccc(-c2ccccc2)cc1)c1cc2cc([N+](=O)[O-])c(C(F)(F)F)cc2[nH]1,0.0
N[C@@H](CC1=CCCCc2o[nH]c(=O)c21)C(=O)[O-],0.0
Cc1n[nH]c2cc(N(C)c3cc[nH+]c(Nc4cccc(S(N)(=O)=O)c4)n3)ccc12,0.0
N#Cc1ccc(Cn2cnnc2CN(CCc2ccc(F)cc2)C(=O)c2ccc3ccccc3n2)cc1,0.0
CC(C)(C)Oc1ccccc1Nc1nc(NCCO)nc(N2CCCC2)n1,0.0
NC1=N[C@@](c2cccc(-c3cccnc3F)c2)(c2ccc3c(c2)OCO3)C2=[NH+]CCCN12,0.0
O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(CCCO)cc1)/N=N\c1c(O)[nH]c2ccccc12,0.0
COc1cccc2c1C[C@@H]1C[C@H](C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C[N@@H+](C)[C@H]1C2,0.0
O=c1cnn(-c2cc(Cl)c(Oc3ccc(O)c(S(=O)(=O)N4[C@@H]5CC[C@H]4C[C@@]4(CCCO4)C5)c3)c(Cl)c2)c(=O)[nH]1,0.0
Cc1ccc(C(=O)Nc2cc(C(F)(F)F)on2)cc1C#Cn1cnc2c(NC3CC3)cccc21,0.0
O=C([O-])CN1C(=O)c2cccc3cc(N=C=S)cc(c23)C1=O,0.0
[NH3+]CCNS(=O)(=O)c1ccc(-c2ccnc3[nH]ccc23)cc1,0.0
COc1cccc(-c2csc(N/N=C(\C)c3ccncc3)n2)c1,0.0
Nc1ccn([C@H]2CC[C@@H](CO)O2)c(=O)n1,0.0
O=C1/C(=N\O)c2c(/C=C/c3ccccc3)cccc2N1Cc1cc(F)cc2c1OCOC2,0.0
O=C1Cn2c(Cl)cnc(c2=O)N[C@@H](Cc2ccccc2)C[NH2+]CCCC[NH2+]Cc2ccccc2CN1,0.0
c1ccc2c(C[C@@H](COc3cncc(-c4ccc5nonc5c4)c3)Nc3ccc4nonc4c3)c[nH]c2c1,0.0
Nc1ncnc2c1c(-c1ccc3c(c1)C=C(Cc1cccs1)C3)nn2[C@H]1CC[C@H](N2CCOCC2)CC1,0.0
O=C1C[C@@H]2CCC[C@](Sc3ccccc3)(C1)C2,0.0
O[C@@H]1[C@@H](O)[C@@H]2N/C(=N\c3ccccc3)O[C@@H]2[C@@H]1O,0.0
CC1=NN(C(=O)c2ccccc2O)C(=O)/C1=C/c1ccccc1O,0.0
CCN1C(=O)CC(C)(C)c2cc(C)c(-c3cc(/C=C4\SC(=O)NC4=O)ccc3OC(F)(F)F)cc21,0.0
C#CCN(Cc1cc2c(=O)[nH]c(C)nc2cc1C)c1ccc(C(=O)NCc2cncs2)c(F)c1,0.0
Cc1c(Cc2ccc(F)c(C(=O)N3CCN(C(=O)[C@]4(C)CCCC[NH2+]4)CC3)c2)n[nH]c(=O)c1C,0.0
NC(N)=Nc1nc(-c2ccc(CNc3[nH]c4ccccc4[nH+]3)s2)cs1,0.0
[NH3+][C@H](C(=O)N1CCSC1)[C@H]1CC[C@H](NS(=O)(=O)c2ccc3ccccc3c2)CC1,0.0
O=C(NCCCC[N@@H+]1CCC[C@H]2c3cccc(O)c3CC[C@@H]21)c1ccc(-c2ccccc2)cc1,0.0
O=C([O-])[C@H]1[C@H](Cn2nc3ccccn3c2=O)CC[C@@H]1Sc1ccc(-c2ccc(Cl)cc2)cc1,0.0
COc1cc2c(cc1OC)Oc1ncnc(Oc3cccc(Br)c3)c1NC2,0.0
NC(=[NH2+])CCCC[C@H]1C(=O)O[C@H]2Cc3ccc(-c4ccc(O)cc4)cc3[C@@H]21,0.0
Cn1cc(-c2ccc3c(c2)Cc2c[nH]nc2-3)c(-c2ccncc2)n1,0.0
O=C1NCc2c1c1c3ccccc3n3c1c1c2c2ccccc2n1CN(CCO)C3,0.0
O=C(C[C@@H]1C=Cc2ccccc2NC1=O)NO,0.0
N/C(=[NH+]\CCN1CCNC(=O)C1)c1c(Nc2ccc(Oc3cc(Cl)ccc3Cl)cc2)s[nH]c1=O,0.0
CC(C)c1c(-c2nnc(N3CC[NH+](C)CC3)o2)cn2ncnc(Nc3cc(C(=O)NC4CC4)c(F)cc3F)c12,0.0
CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)CCCCc1c(F)c(F)c(C(F)(F)F)c(F)c1F,0.0
O=C(O[C@H]1CN[C@H](C#Cc2cc3ncnc(Nc4ccc5c(ccn5Cc5ccccc5)c4)c3s2)C1)N1CCOCC1,0.0
CC1(C)C[NH+]=C2C(=O)c3cc(S(=O)(=O)N4CCC[C@H]4COc4ccccn4)ccc3N2C1,0.0
C=CCn1cnc2c(=O)[nH]c(Nc3ccccc3)nc21,0.0
Nc1[nH]c2cc3c(cc2[nH+]1)CCCN3Cc1ccc2cc(CO)ccc2c1,0.0
CCc1[nH+]c(N)nc(N)c1-c1ccc(NCc2ccc(C3OCCO3)cc2)c([N+](=O)[O-])c1,0.0
CC(=O)C1=NN(c2cc(F)ccc2F)C[C@@]1(CCCN1C[C@@H]2C[C@H]1CO2)c1ccccc1,0.0
O=CNc1cc([C@@H](O)C[NH2+]CCc2ccc(Oc3ccccc3)cc2)ccc1O,0.0
COc1cnc2c(NCc3nnc4ccc(-c5cc(F)cc(F)c5)nn34)ccnc2c1,0.0
COc1ccc2nc(-n3c(C)c(Cc4cccc(O[C@@H](C)C(=O)[O-])c4)c4cc(OC(F)(F)F)ccc43)ccc2c1,0.0
O=C([O-])c1c2c(nc3ccc(F)cc13)-c1ccc(-c3ccoc3)cc1CC2,0.0
C[C@]12CC[C@H](O)CC1=CC[C@H]1[C@H]3CC=C(c4cncnc4)[C@@]3(C)CC[C@@H]12,0.0
CCCCc1oc2ccccc2c1Cc1ccc2c(Br)c(O)ccc2c1,0.0
Cc1c(CSc2cccc3ccccc23)cnc2nc(N)nc(N)c12,0.0
Cn1c[nH+]cc1[C@](O)(c1ccccc1)c1ccc2ccn(-c3cccc4ccccc34)c2c1,0.0
O=S(=O)([O-])CCCSc1nc2ccccc2s1,0.0
[O-]c1ccc(Cc2cc(Oc3cccc(Cl)c3)c3occc3c2)nn1,0.0
NC1=CC=C2SN=C3c4ccccc4C(=O)[C@H]1[C@@H]23,0.0
Fc1ccc(-c2[nH]c3ccc4nc(Cc5ccccc5)[nH]c4c3c2-c2ccncc2)cc1,0.0
CC[C@H](c1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1)c1c(O)c2c(oc1=O)CCCCCCCC2,0.0
COc1cc(O)c2c(c1C(=O)NCc1ccccc1)OC1=CC([O-])=C(C(C)=O)C(=O)[C@]12C,0.0
Oc1ccc([C@H]2Nc3ccccc3-c3ccnc4[nH]cc2c34)cc1F,0.0
COc1ccc([C@@H]2OC[C@]3(C)[C@H](CC[C@]3(O)C#Cc3ccccc3)[C@@H]3CCC4=CC(=O)CCC4=C23)cc1,0.0
O=C(/C=C/c1ccccc1)N[C@H]1COC(=O)CCC[C@H](CN2CCOCC2)OC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O,0.0
CN1C(=O)[C@H]2[C@H](N=C(/C=C/c3ccc(Cl)c(Cl)c3)N2C)N(C)C1=O,0.0
C[C@H]1CNc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2[C@@H]1CCC(F)(F)F,0.0
CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)nc(OC[C@H]([NH3+])Cc3ccccc3)cc21,0.0
C[C@]12O[C@](C)(C(=O)N(CC3CC3)C1=O)[C@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@H]12,0.0
Cc1cc(C)c(OC[C@@H](O)C[C@@H](O)CC(=O)[O-])c(C2CCCCCC2)c1,0.0
Fc1ccc(-c2nc3n(c2-c2ccnc(NC4CCC4)n2)[C@H](Cn2ccnc2)CC3)cc1,0.0
CC(C)COc1cccc(-c2nc3cc(F)c(C(N)=[NH2+])cc3[nH]2)c1O,0.0
CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](CSc1ccc2ccccc2c1)NC(=O)c1cccc2c1CCNC2,0.0
O=Nc1c2n3cc(C(=O)[O-])[nH]c3c([O-])[nH+]c-2c2ccccc12,0.0
CC(C)=CC[N@H+]1Cc2c(Cl)ccc3[nH]c(=S)n(c23)C[C@H]1C,0.0
CC1(C)C(=O)C(c2ccc(F)cc2)=C1c1ccc(S(C)(=O)=O)cc1,0.0
CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@@H]1[C@@H]2C[C@@H]3C[C@H]1C[C@@](C(=O)NCc1ccc(C(=O)[O-])cc1)(C3)C2,0.0
O=C([O-])[C@H]1CC2(CN1C(=O)C[P@@](=O)([O-])CCCCc1ccccc1)SCCS2,0.0
C/C(=C1/C(=O)Nc2ccc(NC(N)=O)cc21)c1cc(CNC(=O)[C@@H]2C[NH2+]CCN2)c[nH]1,0.0
O=c1[nH]c2c(c3ccccc13)Cc1cc(S(=O)(=O)n3ccnc3)c(F)cc1-2,0.0
COc1c(Cl)c(C)cc2cc(O)c3c(c12)C(=O)c1cc2c(c(O)c1C3=O)[C@@H](C)OC2=O,0.0
O=C(N[C@@H](Cn1cncn1)c1ccccc1)N[C@H]1CC[N@H+](Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1,0.0
CC[C@H]1Oc2c(ccc(O)c2C)-c2ccc(O)c(C)c21,0.0
CC1(C)OC([S-])=[NH+]c2ccc(-c3cncc(Br)c3)cc21,0.0
Cc1oc(-c2ccccc2)nc1COc1ccc(CO/N=C(\CCC(=O)[O-])c2ccccc2)cc1,0.0
COc1ccc2c(c1)CCN1C(=O)[C@H]3CCC[C@@H]([C@H]21)N3S(=O)(=O)[N-]c1cc(F)c(F)c(F)c1,0.0
Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)[C@H]1CC[C@H](c3ccc(NC(=[NH2+])c4cccs4)cc3)CC1)O2,0.0
C[C@@H](/N=C1\C(=O)C(=O)[C@H]1Nc1cc[nH+]cc1)c1ccccc1,0.0
C=C(c1ccc2nc(N)c(C(=O)c3c(F)cccc3F)n2c1)c1c(F)cccc1F,0.0
O=C(N1CC[C@]2(CCc3ccccc32)C1)C1(c2ccc(Cl)cc2)CC1,0.0
O=c1[nH]c(=O)n([C@H]2C[C@@H](CO)[C@H](O)C2)cc1/C=C/Br,0.0
COc1ccc([C@@]2(c3ccc(F)c(-c4cncnc4)c3)NC(=[NH2+])N(C)C2=O)cc1C,0.0
CC(C)CCN1CCc2c(Br)cc3[nH]c(=O)c(=O)[nH]c3c2C1,0.0
COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@@H+](CCOc1ccc(C[NH+]3CCCCC3)cc1)C2,0.0
Nc1c(-c2nc3nc(N4CCOCC4)ccc3[n-]2)c(=O)[nH]c2ccccc12,0.0
CNC(=O)c1nn(C)c2c1CCc1cnc(NC3CCN(C(=O)C4CCN(S(C)(=O)=O)CC4)CC3)nc1-2,0.0
O=C([O-])COc1ccc(Sc2cc(C#CCN3CCOCC3)nc(C#Cc3ccc(C(F)(F)F)cc3)c2)c2c1CCC2,0.0
O=C([O-])C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)nc1)C(=O)c1nc2ccccc2o1,0.0
O=[N+]([O-])c1cc(O)c2c(c1)S(=O)(=O)N=C([N-]c1ccccc1Cl)N2,0.0
c1ccc(NCc2ccc(CNc3cccc[nH+]3)cc2)nc1,0.0
N[C@H](C(=O)N1CC[C@H](F)C1)[C@@H](/C([O-])=N/n1cnnn1)c1ccc(-c2ccc(F)cc2)cc1,0.0
COC(=O)c1sc(-c2cccs2)cc1NC(=O)/C=C/C(=O)[O-],0.0
CN1C[C@]2(C(=O)NC(=O)N=C2[O-])N(c2ccc(Oc3ccc(F)cc3)nc2)C1=O,0.0
CCC[C@@H]([NH3+])c1ccc2sc(-c3ccnc(N)n3)c(C)c2c1,0.0
O=C(Nc1cccc(Br)c1)OCc1cn(-c2cc3nc(C(=O)[O-])c([O-])nc3cc2C(F)(F)F)cn1,0.0
O=c1[nH]c(C2=C[C@@H]([N@@H+]3CC=C(c4ccccc4)CC3)CC2)nc2c(Cl)cccc12,0.0
CCCCCCOc1ccc2ccn(CC[C@H](CO)n3cnc(C(N)=O)c3)c2c1,0.0
O=C(OCc1coc(=O)o1)c1sc2c([N+](=O)[O-])c([O-])c(O)cc2c1Cl,0.0
Oc1ccc([C@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(C3=CC[NH2+]CC3)cc2)cc1,0.0
C[C@H]1[C@H](O)c2c(c3c(c4c(-c5ccccc5)cc(=O)oc24)OC(C)(C)C=C3)O[C@@H]1C,0.0
CCc1c(C(=O)C(N)=O)c2c(OC)cccn2c1Cc1ccccc1-c1ccccc1,0.0
OC[C@@H]1O[C@]2(ON=C(c3ccc4ccccc4c3)S2)[C@H](O)[C@H](O)[C@H]1O,0.0
C[C@H]1CN(CC2(c3ccc(C(N)=O)cc3)CC2)CCN1S(=O)(=O)c1ccc([C@@](C)(O)C(F)(F)F)cc1,0.0
CCN(CC)c1cc(C)c2cc(NC(=O)[C@H]3CC[C@H](C)CC3)ccc2[nH+]1,0.0
O=C(NC/C=C\CN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2c1-c1ccccc1C2,0.0
C[NH+](C)CCCn1nc(C2=C(c3cn(-c4ccc5ccccc5c4)c4ccccc34)C(=O)NC2=O)c2ccccc21,0.0
C[C@@H](Oc1cc(-n2cnc3cc(-c4cnn(CCN5CC[NH+](C)CC5)c4)ccc32)sc1C(N)=O)c1ccccc1Cl,0.0
S=C1Nc2ccc(-c3cccc(-c4ccccc4)c3)cc2C12CCCCC2,0.0
CC(C)[C@H](C)C(=O)NC(=O)[C@H](O)[C@H](O)[C@@H](O)[C@@H](Oc1ccc(C2=C(O)C(=O)CCC2)cc1)C(=O)NC(=O)[C@@H](C)C(C)C,0.0
CC(C)c1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)[C@@H]1C[C@H](C)CCCCCCCCC(=O)N(C)[C@@H](C)C(=O)N1)CC(C)(C)O2,0.0
CC(=[NH2+])N1CCC(Oc2ccc3c(c2)OCC(=O)N3Cc2cccc(-c3cccc(C(N)=[NH2+])c3)c2)CC1,0.0
CNC(=O)Nc1ccc2c(c1)/c(=C/C(=O)[O-])c1c2[nH]c(=O)c2nccn21,0.0
Cc1ccn(-c2ccc3c(c2)NCC3(C)C)c(=O)c1-c1ccc2nc(N)ncc2c1,0.0
NC(N)=Nc1ncc(Cl)cc1/C=C/c1cccc(C(=O)[O-])c1,0.0
Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3ccc(S(=O)(=O)C4CC[NH2+]CC4)cc3)nc12,0.0
Cc1cc(/C=C/c2csc3ccccc23)cc(C)c1O,0.0
O=C1NC(=O)c2c1c1c(c3[nH]c4ccc(-c5csc(-c6ccno6)n5)cc4c23)CCC1,0.0
O=S(=O)(N[C@@H](Cc1ccc([C@@H]2CC([O-])=NS2(=O)=O)cc1)c1ncc(CCCc2ccccc2)[nH]1)c1cccc(F)c1,0.0
Cn1ccc2c3nc4cc(Br)ccc4c4c3c(c(=O)c-2c1)[N+](C)(C)CC4=O,0.0
NC(=O)c1cccc2c1c1ncnc(N3CC[NH+](CCc4ccc(F)c(F)c4)CC3)c1n2Cc1ccncc1,0.0
CC[C@@]12CCC(=O)C(C(F)(F)F)=C1c1ccc3[nH]ncc3c1C2=O,0.0
CC(C)(C)C[NH2+]CCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc21,0.0
O=C(NC[C@H](NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1ccc3c(c1)OCC3)C2)C(=O)[O-])c1cccs1,0.0
O=C([C@@H](O)C1CC1)N1CC(c2cc(F)ccc2F)=C[C@H]1c1cccc(O)c1,0.0
O=C1NC[C@H]2c3c(cccc31)CCN2C(=O)c1ccc(C(=O)N2CCC[NH2+]CC2)cc1,0.0
CC1=NN(Cc2ccccc2)C(=O)[C@H]2N=C(C)n3nc(-c4ccccc4)cc3[C@H]12,0.0
COC(=O)/N=c1/[nH]c2ccc(Sc3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)cc2[nH]1,0.0
CN1C(=O)C[C@H](c2nc(C(=O)NCc3ccc(F)cc3)c(O)c3ncccc23)N(C)C1=O,0.0
CN(C(=O)CCN1Cc2cc(C(=O)c3ccccc3)ccc2N=C1N)C1CCCCC1,0.0
Cc1ccc(S(=O)(=O)N2CC=C(c3ccccc3)CCC2)cc1,0.0
Cc1cc(N)[nH+]c(C[C@H]2C[NH2+]C[C@H]2NCC[NH2+]Cc2ccc(Cl)cc2)c1,0.0
O=C(/N=c1/[nH]cc(-c2ccc(F)cc2)[nH]1)c1ccc2c(c1)Nc1ccccc1NC2=O,0.0
C[C@H](C(=O)[O-])N1C(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O,0.0
[NH3+][C@@H](CC(=O)N1CCn2nc(-c3ccccc3)nc2C1)Cc1cc(F)c(F)cc1F,0.0
Nc1ccc(-c2ccsc2)cc1NC(=O)c1ccc(N2CCC3(CC[NH2+]C3)CC2)nc1,0.0
CCN(O)CCc1ccc2c(c1)[C@@H](O)c1ccccc1CO2,0.0
C=C(Br)COc1ccc2c(oc(=O)c3ccccc32)c1C,0.0
Cc1cccc(-c2nc(Nc3ccc4c(cnn4C)c3)c3ccccc3n2)n1,0.0
Cn1c(-c2cccc(F)c2)nc2c(N)nc(C#CC3(O)CCCCCC3)nc21,0.0
NS(=O)(=O)c1ccc(-n2cc(CO[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)nn2)cc1,0.0
Oc1ccc(Cc2nnc3ncc(-c4ccccc4)cn23)cc1,0.0
COc1cc(C(=O)/C=C/c2cc(O)c(O)c([N+](=O)[O-])c2)cc(OC)c1OC,0.0
O=CN(O)C[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1c1nc2ccccc2o1,0.0
O=C([C@@H]1C[C@H](N2CCN(c3noc4ccccc34)CC2)C[NH2+]1)N1CCC(F)(F)C1,0.0
C[N@@H+]1CCC[C@@H]1CC[NH2+]CCCC[NH2+]CC1CCN(C(=O)Cc2cccc3ccccc23)CC1,0.0
O=C(Nc1cc2ccccc2cc1Oc1ccc(C(=O)[O-])c(C(=O)[O-])c1)c1cccc([N+](=O)[O-])c1,0.0
N#Cc1cccc(CN(Cc2c[nH]c[nH+]2)c2cccc(S(=O)(=O)N3CCCc4ccccc43)c2)c1,0.0
O=C1NC(=O)[C@](CN2Cc3ccc(F)cc3C2=O)(c2ccc(-c3c[nH]c(=O)c(Cl)c3)cc2)N1,0.0
CN1CCc2c(sc3ncn(CCN4CCN(c5cc[nH+]c6ccccc56)CC4)c(=O)c23)C1,0.0
C[n+]1c2c(c3n1C(=O)NCC3)c(=O)c1cc(Cl)ccc1n2[O-],0.0
Nc1nc2c(C3CCCCC3)c[nH]c2c(=O)[nH]1,0.0
NS(=O)(=O)c1ccc(Nc2ccnc(/N=C/c3coc4ccccc4c3=O)n2)cc1,0.0
Oc1ccc(C2=c3ccc4n3[C@@H]3C(=CC=4)CCCC[C@@H]23)cc1,0.0
CC1(C)CC(NC(=O)c2cccc(-c3cc4nccc(Nc5cccc(O)c5)n4n3)c2)CC(C)(C)N1O,0.0
O=C1N=CC=C2N=C(c3ccc(C[N@H+]4CC[C@H](c5n[nH]c(-c6ccccn6)n5)CC4)cc3)C(c3ccccc3)=C[C@@H]12,0.0
O=C([O-])c1sccc1S(=O)(=O)[N-]c1ccccc1[NH+]1CCCCC1,0.0
CC1(C)C(=O)N([C@@H]2[C@@H]3C[C@@H]4C[C@H]2C[C@@](c2nnn[n-]2)(C4)C3)C[C@@H]1COc1ccc(C(F)(F)F)cn1,0.0
Nc1ncnc2cc(CN3CCN(S(=O)(=O)c4cc5ccc(Cl)cc5s4)C(=O)C3)ccc12,0.0
Cc1nc2ccccc2n1-c1ccc(-c2nnc(C3(c4ccc(Cl)cc4)CCC3)n2C)c(Cl)c1,0.0
O=C1N=C(N[C@@H]2C[C@H]2c2ccccc2)S/C1=C\c1ccc2ncccc2c1,0.0
COCCCOc1cc(C[C@H](C[C@@H]([NH3+])[C@H](O)C[C@@H](C)C(=O)NCC[N@H+]2CC[C@H](OC)CC2)C(C)C)ccc1OC,0.0
CCc1cn([C@@H]2O[C@H](CNC(=O)C3c4cccc(Cl)c4Oc4c(Cl)cccc43)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O,0.0
O=C(N[C@@H](Cc1c[nH]c2ccc(O)cc12)c1cscn1)c1ccc2c(c1)nc(-c1ccoc1)n2C1CCCCC1,0.0
c1cc2n[nH]c(-c3nc4ccc(N5CCC([NH+]6CCCCC6)CC5)cc4[nH]3)c2cc1NCC1CCCCC1,0.0
Oc1ccc2c(c1)CC[C-]1Oc3cc(O)ccc3N=C21,0.0
Cc1noc(=O)c2ccc(NC(=O)[C@](O)(CC(C)(C)c3cccc4c3OCC4)C(F)(F)F)cc12,0.0
COc1c(O)ccc2c1C1=C(/C(=C/c3cccc(-c4cccnc4)c3)O2)[C@@H]2C(C)=CC(C)(C)N[C@H]2C=C1,0.0
O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1[nH]c3cc(OCCCn4cccc4)c(O)cc3c21,0.0
COc1cc2c(cc1OC)C(O)=CC(=C1C=CC(=[N+]3CCCC3)C=C1)O2,0.0
CCCCc1nc(Cl)c(C2=NO[C@@H](c3ccccc3)C2)[nH]1,0.0
O=C1[C@@H]2C[C@H](Oc3ccc(-c4ccc(Br)cc4)cc3)CN2C(=O)N1c1cc(Cl)cc(Cl)c1,0.0
Cc1nnc(-c2ccc(F)c(-c3c(=O)ccn4c(-c5ccc(F)cc5F)cccc34)c2)o1,0.0
Cc1cc(-n2ccnc2)cc2[nH]c(-c3c(N[C@H](CO)Cc4ccccc4)cc[nH]c3=O)nc12,0.0
Nc1nn2cccnc2c1-c1cc(N2CCC[C@@H]2c2ccc(F)cc2)ncn1,0.0
NC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)nn2c1Nc1ccc(OCc3cccnc3)cc1CC2,0.0
Cc1nn(C)c2ncc(C(=O)NO)c(N(C)S(=O)(=O)c3ccc(Oc4ccc(Cl)cc4)cc3)c12,0.0
COC(=O)[C@@H](C(=O)N1CCN(C(=O)NCCC(c2ccccc2)c2ccccc2)CC1)c1ccc(NC(N)=[NH2+])cc1,0.0
Cc1onc(-c2ccccc2)c1C(=O)N1CCN(C(=O)N2C(=O)[C@H](CC3CC[NH2+]CC3)[C@H]2C(=O)[O-])CC1,0.0
Cc1cccc(NC(=O)Cc2cc([C@H](CC(=O)[O-])C(=O)[O-])cc(-c3[nH]c4ccc(C(N)=[NH2+])cc4[nH+]3)c2[O-])c1,0.0
O=C([O-])[C@@H](O)c1cccc(OCc2ccccc2Cl)c1OCc1ccccc1Cl,0.0
CCc1c(Sc2cc(C)cc(C)c2)n(C/C=C/c2ccccc2)c(=O)[nH]c1=O,0.0
C[NH2+]CCN(C)c1nc(Nc2ccncc2)nc(NC2Cc3ccccc3C2)n1,0.0
O=C1N(Cc2ccc3[nH]cnc3c2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccc2nc[nH]c2c1,0.0
[NH2+]=C1Nc2cc(CCNCc3cccc(Cl)c3)ccc2[C@H]2CCC[C@@H]12,0.0
CCC[C@@H]1CCCCN1C(=O)[C@@H](NC(C)=O)[C@H]1C[C@@H](C(=O)[O-])C[C@@H]1[NH+]=C(N)N,0.0
Cc1cc(SC2=C([O-])O[C@](C)(CCc3ccc(O)cc3)CC2=O)c(C(C)(C)C)cc1NS(=O)(=O)c1ccccc1,0.0
O=C([O-])c1cn2c3c([nH]c(=O)c2n1)-c1ccccc1[C@H]3N1CC=CC1=O,0.0
CC1=NC(c2cnccn2)=N[C@H](c2ccc(F)cc2)/C1=C(\[O-])Nc1ccc2n[nH]cc2c1,0.0
O=C([O-])Cc1nn(CCc2nc3cc(C(F)(F)F)ccc3s2)c(=O)c2ccccc12,0.0
CCCCCCCCN(C)C(=O)Cn1cc(Cc2cnc(=O)[nH]c2)c(=O)nc1SCc1ccc(F)cc1,0.0
O=S(=O)([N-]c1cc(-c2cccs2)nn1-c1ccc(F)cc1)c1ccc(-c2cc(C(F)(F)F)on2)s1,0.0
CN(Cc1ccc(-c2[nH]nc3c2Cc2cc(CN4CC[NH+](C)CC4)ccc2-3)s1)C(=O)Nc1cc(F)cc(C(F)(F)F)c1,0.0
CC(C)CCn1cc2c(nc(NC(=O)Cc3ccc(-c4ccccc4)cc3)n3nc(-c4ccco4)nc23)n1,0.0
Oc1ccc2c(c1)CC[C@@H]1C[C@@](O)(C#CCl)CC[C@@]21Cc1ccccc1,0.0
COc1cccc([C@@H]2CCO[P@](=O)(COc3cc(C)c(C)c4c3-c3ncsc3C4)O2)c1,0.0
NC(=[NH2+])c1ccc2ccc(CN(CCC[n+]3cc[nH]c3)C(=O)c3cccc4ccccc34)cc2c1,0.0
O=C(Nc1cc(Br)cc(C(F)(F)F)c1)[C@@H]1CC(=O)N(C2CCCCC2)C1,0.0
Cc1c2ccncc2c(C)c2c1[nH]c1ccc(O)cc12,0.0
N#Cc1cc(-c2ccnc(Nc3ccc(-n4cnc(-c5ccccn5)n4)cc3)n2)cc(N2CCOCC2)c1,0.0
O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H](Nc3ccc4[nH]ncc4c3)C2)c1,0.0
CC(C)c1cc(Oc2c(Br)cc3[nH]c(C(=O)[O-])cc3c2Br)ccc1O,0.0
O=C(/C=C/c1ccc(C[N@@H+](CCOC(=O)NCc2ccoc2)CCc2c[nH]c3ccccc23)cc1)NO,0.0
N#Cc1ccc2c(c1)CCN(CC[C@H]1CC[C@H](NC(=O)c3ccnc4ccccc34)CC1)C2,0.0
CN1CCc2c(-c3ccc(S(=O)(=O)N(C)C)cc3)cc3c(c2C1)NC(=O)/C3=N\O[C@H](CCO)C(=O)[O-],0.0
O=C([O-])CCN(C(=O)CNC(=O)OCN1C(=O)c2ccccc2S1(=O)=O)C(=O)OCc1ccccc1,0.0
N#Cc1ccc(N2N=C3c4ccc(C(=O)[O-])cc4CC[C@@H]3[C@@H]2[C@@H]2C=CC=CO2)cc1Cl,0.0
Cc1csc(NC(=O)c2cc(Sc3nncn3C)ccc2Sc2ccc(F)cc2)n1,0.0
Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21,0.0
COCCn1cc(C(=O)N2CCC(c3cccc(C[NH3+])c3)CC2)c2cccc(C)c21,0.0
Cc1cc2c(nn1)-c1cc(OCCCC(F)(F)F)ccc1C2=O,0.0
O=C(CC(=O)c1ccc(Cc2ccc(F)cc2)o1)c1nc[n-]n1,0.0
O=C1c2ccccc2[C@@]2(CC([O-])=NC2=O)C(=O)N1Cc1ccc(Br)cc1F,0.0
O=C1Nc2ccc(F)c3c(SC[C@@H]4CCC[NH2+]4)cc(-c4ccc[nH]4)c1c23,0.0
O[C@]1(c2ccc(Cl)c(Cl)c2)C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1coc2ccccc12,0.0
CS(=O)(=O)N(c1ccc(-c2cnc3ccc4ccncc4c3c2)cc1)S(C)(=O)=O,0.0
Oc1ccc2c(c1O)-c1cccc3c1[C@@H](C2)[N@@H+](CC1CC1)CC3,0.0
CC(C)S(=O)(=O)n1c(N)nc2ccc(-c3[nH]cnc3-c3ccc(F)cc3)cc21,0.0
COc1cc2c(cc1Cl)C(c1ccc(Cl)c(Cl)c1)=[NH+]CC2,0.0
NS(=O)(=O)[N-]c1ccc(-c2ccc(C(F)(F)F)c(F)c2)cn1,0.0
CC(=O)c1cccc2c1S(=O)(=O)c1ccccc1O2,0.0
CCC[C@]1(CCc2ccccc2)CC(=O)[C@@H]([C@H](c2ccccc2)C2CCCC2)C(=O)O1,0.0
CC(=O)OC(C)(C)/C=C/C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C=C(O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C,0.0
Cc1cccc(C)c1/C=C/n1cnc2c(Nc3ccc(P(C)(C)=O)cc3)nc(Oc3cccnc3)nc21,0.0
CC(=O)CCCCC[C@H](NC(=O)[C@H]1CC[N@H+](C)CC1)c1ncc(-c2ccc3ccccc3c2)[nH]1,0.0
c1ccc(C[C@@H](CNc2cc(-c3ccncc3)c(-c3cccc4ccccc34)n[nH+]2)[NH+]2CCCC2)cc1,0.0
O=C([O-])c1ccc(S(=O)(=O)Oc2ccc(-c3ccc(-c4c(Cc5ccccc5)sc5ccccc45)cc3)cc2)cc1O,0.0
Cc1nc2ccc(C#N)cc2c2c1C(=O)N(c1c(C)nn(C)c1C)C2=O,0.0
CCNC(=O)Nc1ccc(CNc2ncsc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)cn1,0.0
CC1(C)CCOc2ccc(C(=O)Oc3ccc(/C=N/NC(N)=S)cc3)cc21,0.0
O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3F)cc2)SC(=S)N1CCS(=O)(=O)[O-],0.0
C[NH+]1CCN([C@@H]2C[C@@H](c3ccc(Cl)c(Cl)c3)c3ccccc32)CC1,0.0
CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc3[nH+][nH]c(N)c3c2)c(Cl)c1,0.0
CC1=C(C(=O)N(Cc2cc(=O)[nH]c3c(F)c(F)ccc23)c2cccc(Cl)c2)CNCC1,0.0
Cc1cc(-c2cc(-c3ccccc3)cc(N(C)CCc3ccccc3)[nH+]2)ccc1O,0.0
CC(C)c1nc(Nc2nsc(-c3ccccc3)n2)nc(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-],0.0
Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl,0.0
O=c1[nH]c2cnc(-n3cnc4ccc(Cl)cc43)nc2n1C1CCOCC1,0.0
CC(C)(C)c1ccc(-n2c(C(=O)[O-])c(Oc3cccc(-c4cc(C(F)(F)F)c[nH]4)c3)c3ccc(Cl)nc32)cc1,0.0
Nc1nccc2c1ncn2C/C=C\[C@@H](O)CO,0.0
COc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc32)c1C,0.0
Cc1c[nH]c2cccc(OC[C@@H](O)CN3CCN(C(c4ccccc4)c4ccccc4)CC3)c12,0.0
C[C@@H](c1cc(=O)[nH]c(SC2CCCC2)n1)c1cccc2ccccc12,0.0
COc1ccc(-n2nc(-c3ccc(Cl)cc3)c3c2CC[C@H](O)C3)cc1,0.0
Nc1nc2c(c(-c3ccc(Cl)cc3Cl)c1C[NH3+])CCc1ccccc1-2,0.0
Cc1ccc(N(CC2CCCC2)C(=O)Nc2ncc(Cl)s2)cc1Cl,0.0
O=C1[C@H](NS(=O)(=O)c2cc3ccc(Cl)nc3s2)CCCN1c1ccc(-n2ccccc2=O)cc1F,0.0
CC(C)(C)C[N@H+]1CC[C@H](NC(=O)c2csc(NC(=O)c3ccc4cc5n(c4c3)C3(CCC3)CNC5=O)n2)CC1,0.0
CC1=CC[C@]2(O)C[C@H]1[C@H](c1ccc(O)cc1F)OC2(C)C,0.0
O=C(Cc1ccc2ccccc2c1)Nc1n[nH]c2ccc(N3CCCS3(=O)=O)cc12,0.0
Cn1cncc1Cn1cc(C(=O)c2ccc(Oc3ccccc3)cc2)c(-c2cccc3ccccc23)c1,0.0
O=C([O-])Cn1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])c(-n3ccc(CNC(=O)CCc4ccccc4)c3)cc21,0.0
O=C(/C=C/c1cccc(-c2nc3ccccc3n2CC[NH+]2CCCC2)c1)NO,0.0
O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccc(N/C([O-])=N/S(=O)(=O)c2ccc(F)cc2)c1)NO,0.0
Cc1[nH+]c2c3c(c(-n4cncn4)cn2c1C)CC[C@@H](c1ccccc1)N3,0.0
O=C1Nc2c(COCc3ccccc3)ccnc2N(C2CC2)c2ncccc21,0.0
O=C(CN1Cc2c(Br)cccc2N(CC2CC2)S1(=O)=O)NO,0.0
O=C(N[C@H]1CCc2cccc3c2N(C1=O)[C@H](C(=O)[O-])C3)[C@@H](S)C1CCCCC1,0.0
CC#CCOc1ccc(S(=O)(=O)N2Cc3cc(N4CCOCC4)ccc3N(C(C)=O)C[C@@H]2C(=O)NO)cc1,0.0
C[C@](Cc1ccc(O)c(O)c1)(C(=O)[O-])[C@](C)(Cc1ccc(O)c(O)c1)C(=O)[O-],0.0
COc1ccc(-c2cnc(N3CC(=O)c4c([nH]c5ccccc45)[C@@H]3c3ccc4c(c3)OCO4)nc2)cc1OC,0.0
Cn1c(=O)cc(C(F)(F)F)c2cc3c(cc21)N1CCC[C@]1(C)CC3,0.0
Oc1ccc2c(-c3cccc4c(O)cccc34)noc2c1,0.0
COc1c(C#N)cc(C(C)(C)C)cc1NC(=O)C(=O)c1ccc(-c2cccnc2)c2ccccc12,0.0
O=C1C=C([O-])C(=O)C(CCc2ccccc2)=C1O,0.0
[NH3+][C@H]1CC[C@H](CNC(=O)[C@@H]2CC[C@H]3CN(S(=O)(=O)CC(c4ccccc4)c4ccccc4)CC(=O)N32)CC1,0.0
O=C([O-])[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)[NH2+]CP(=O)([O-])[O-],0.0
OCCN1CC[NH+](CC/C=C2\c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,0.0
O=C(CC[C@@H]1CSC(c2ccccc2)(c2ccccc2)S1)Nc1ccc2c(c1)C[C@H](C(=O)[O-])OC2,0.0
Cn1c[nH+]cc1[C@@H](OCc1ccc(C#N)cc1-c1ccc(-c2ccccc2)cc1)c1ccc(C#N)cc1,0.0
Nc1n[nH]c2nnc(-c3c(-c4ccccc4)nn4ccccc34)cc12,0.0
O=C1c2ccccc2-n2c1nc1ccccc1c2=O,0.0
COc1cccc2c1CCC[C@H]2C[N@H+](C)CCc1ccc2ccoc2c1,0.0
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C1(c2cccc([C@@H]3CCCC3=O)c2)CCCCC1,0.0
COc1cc2[nH+]ccc(Oc3ccc4oc(Nc5ccc(Cl)c(OC[C@@H]6CCC[N@H+]6C)c5)nc4c3)c2cc1OC,0.0
CC(=O)N1N=C(c2ccc(O)cc2)C[C@H]1c1ccc(C)cc1,0.0
NC(=O)Nc1ccc(-c2ccc([C@@]3(C(F)(F)F)N=[NH+]3)cc2)cc1,0.0
Nc1nc(-c2ccccc2)c2c(n1)-c1cc(NCCN3CCS(=O)(=O)CC3)ccc1C2=O,0.0
COc1ccc(CSc2nc([O-])cc(C(F)(F)F)n2)cc1,0.0
CN1C(=O)c2c(nc(-c3ccc(C4CCCCC4)cc3)n2Cc2ccccc2)N2CC3(CCCC3)[NH+]=C12,0.0
O=C([O-])c1ccc2c(c1)/C(=C/Cn1cnc3cc(C(=O)NCc4ccccc4)ccc31)c1ccccc1CO2,0.0
CCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN(Cc2cc[nH]n2)CC3)cc1,0.0
COc1cccc(CCN(Cc2ccccc2-c2ccc(CN3C[C@@H](C)[NH2+][C@@H](C)C3)cc2)C(=O)NC2CCCCC2)c1,0.0
C=CC(=O)Nc1cccc(-c2c(-c3ccccc3)oc3ncnc(N[C@@H](CO)c4ccccc4)c23)c1,0.0
O[C@](c1ccc2c(cnn2-c2ccc(F)cc2)c1)(c1cccc(Cl)c1Cl)C(F)(F)F,0.0
CCS(=O)(=O)c1ccc(Oc2cc3[nH]c(-c4ccccn4)nc3cc2CN2C(=O)CN(C)C2=O)cc1,0.0
C[C@]12Cn3c[nH+]c(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@](C)(O)CCc1ccccc1,0.0
CCCCCCCCCC(=O)N[C@H](C[NH2+][C@@H]1C=C(CO)[C@@H](O)[C@@H](O)[C@@H]1O)[C@H](O)c1ccccc1,0.0
O=C([O-])C[C@@H]1CCc2cc(OCCCOc3ccc(-c4nc5c(s4)CCCC5)cc3)ccc21,0.0
[NH3+]Cc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@]1(O)c2ccccc2-c2ccc[n+]([O-])c21,0.0
Nc1c(C(=O)c2cccc(-c3ccc[n+]([O-])c3)c2)cnn1-c1ccc(F)cc1F,0.0
O=C(c1ccc2ccccc2c1)n1c2cc(O)c(O)cc2c2ccc(O)c(O)c21,0.0
O=C([O-])[C@@H]1C[C@H]2C[C@@H](CCc3nnn[n-]3)CC[C@H]2C[NH2+]1,0.0
Cc1c2cc(O)c(=O)cc-2oc2cc(O)c(O)cc12,0.0
CN1C(=O)[C@](c2ccncc2)(c2cccc(-c3cnccn3)c2)[NH+]=C1N,0.0
Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NC[C@H]1CC[N@H+](C)CC1,0.0
CN(Cc1ccc2[nH+]c(N)nc(N)c2n1)c1ccc2ccccc2c1,0.0
COc1cc(Nc2c(C#N)cnc3cc(-c4ccc(CN5CCOCC5)cc4)ccc23)c(Cl)cc1Cl,0.0
Cc1cn(Cc2ccc(Cl)cc2Cl)c2c(/C=C/C([O-])=N/S(=O)(=O)c3cc(Cl)c(Cl)s3)cc(F)cc12,0.0
C[NH+](C)CCNC(=O)c1ccc(-c2n[nH]c3cc(Nc4ccccc4Cl)ccc23)cc1,0.0
CN(C)C(=O)c1cccc(Oc2nc3c(c(Oc4cc(C(N)=[NH2+])ccc4O)n2)NC(=O)CN3)c1,0.0
NC(=[NH2+])c1ccc2[nH]c(-c3cc(Cc4nnn[n-]4)cc(Br)c3O)c(Cc3ccccc3)c2c1,0.0
C[NH+](C)Cc1ccc(-c2cc3c(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)ncnc3s2)[nH]1,0.0
COc1ccc(C[C@H](CO)n2cc(-c3cccc(O)c3)c3c(N)ncnc32)cc1,0.0
C=CCc1cccc(/C=N/NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)c1O,0.0
O=C(NO)[C@@H](CCn1c(=O)[nH]c2ccccc2c1=O)COc1ccc(-c2ccccc2)cc1,0.0
[NH2+]=C1Nc2ccccc2[C@H]2CCC[C@@]12F,0.0
CC(C)C[C@@H](NC(=O)CNc1cccc(Oc2ccccc2)c1)C(=O)N[C@H]1CC(=O)O[C@@H]1O,0.0
NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c3c2-c2ccccc2SC3)cc1,0.0
O=C1N=C([O-])/C(=C\c2ccc(OCCN3c4ccccc4Oc4ccccc43)cc2)C(=O)N1,0.0
CCOC(=O)C(=O)Nc1cc(C)c(Cc2ccc3[nH]cc(C(C)C)c3c2)c(C)c1,0.0
Cc1cc(COc2ccc(C(=O)NCC3([C@H]4CC[N@H+](C5CCOCC5)CC4)C(=O)NC(=O)NC3=O)cc2)c2ccccc2n1,0.0
Cc1ccc([C@@]23C[C@@H]4C[C@@H](C[C@@](C(=O)N5CCN(CCO)CC5)(C4)C2)C3)cc1,0.0
O=C1Nc2ccc(Cl)c3c2[C@@](C(F)(F)F)(C=C(c2cccnc2)O3)N1,0.0
CN(c1nccc(-c2cnc3ccccn23)n1)C1CCCCC1,0.0
O=C(NO)c1c(F)cccc1S(=O)(=O)N1CCC(Oc2ccc(C(F)(F)F)cc2)CC1,0.0
CCCCCCCCCCCC(=O)c1c(C(=O)[O-])n(CCOc2ccc(C(=O)[O-])cc2F)c2ccccc12,0.0
CN1C(=O)[C@H](NC(=O)c2cc3cc(Br)ccc3[nH]2)Cc2ccccc21,0.0
CC1(C)CCCN(c2ccc(O)c(C(=O)c3ccc(C(=O)N[C@@H]4CCC[NH2+]C[C@H]4NC(=O)c4ccncc4)cc3)c2)C1,0.0
CC(C)CNC(=O)[C@H]1[C@@H](C(=O)[O-])[C@H]2C=C[C@@H]1C2,0.0
Cc1c(CN(O)C=O)c2cc(Br)ccc2n1S(=O)(=O)c1ccccc1,0.0
CC(=O)N[C@@H]1[C@@H]([NH3+])CC(C(=O)[O-])=C[C@H]1Oc1ccccc1,0.0
Cc1c(CCC2CCCCC2)c(=O)oc2cc(OS(N)(=O)=O)ccc12,0.0
Cc1cc(-c2ccccc2)cc(C)[n+]1CC(=O)NCCC(=O)Nc1nnc(S(N)(=O)=O)s1,0.0
[H]/N=C(\C)c1cccc(C[NH2+]Cc2ccc(NC(C)=[NH2+])cc2)c1,0.0
O=C(Nc1cc2cc[nH]c(=O)c2cc1Cl)[C@H]([NH2+]C1CC1)c1ccccc1,0.0
CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1,0.0
COc1cc(Cc2cnc(N)nc2N)c2c(c1OC)O[C@@H](C1CC1)C=C2,0.0
O=S(=O)(/N=C(\[O-])c1cc2ccccc2n1Cc1cccc(OCc2ccccc2)c1)c1cccc(C(F)(F)F)c1,0.0
O=C([O-])Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2cc(N3CCOCC3)ccc21,0.0
NS(=O)(=O)c1ccc(N/N=C2\C(=O)Nc3cccc(CCc4ccc(O)cc4)c32)cc1,0.0
C[C@@H](C(=O)C[N@@H+]1CC[C@@H]2[C@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)c1ncco1,0.0
Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(OC(C)C)nncc2c1,0.0
Nc1nn(-c2cccc(-c3ccc4cc[nH]c4c3)c2)cc1-c1ccc2c(c1)CCNC2=O,0.0
Brc1cccc(-c2[nH]ncc2-c2ccnc3ccccc23)n1,0.0
[H]/N=C1\N=C([O-])[C@@H]2C[C@@H](CCc3ccc(C(=O)N[C@H](CCC(=O)O)C(=O)[O-])cc3)C[NH2+][C@@H]2N1,0.0
CC(=O)Nc1cccc(-c2cncc(Nc3ccc4c(c3)C(=O)OC4)n2)c1,0.0
O=C(c1cccc(-c2ccccc2[N+](=O)[O-])n1)N1CCC[C@H]2CCCC[C@@H]21,0.0
NC(=O)[C@@H]1CCCC[C@@H]1NCc1cc([N+](=O)[O-])cc2[nH]c(=O)c(=O)[nH]c12,0.0
C[C@H]1C[C@H](C)N1C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,0.0
O=C(Nc1ccc2ccccc2c1)c1cc(-c2ccncc2)nc2ccc(Br)cc12,0.0
O=C(N[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2)c1cc(O)c(O)c(Cl)c1,0.0
O=c1[nH]cnc2c1ncn2C[C@@H]1COC[C@@H]1CC(F)(F)P(=O)([O-])[O-],0.0
CCc1cc(-c2n[nH]cc2-c2c[nH]cn2)c(O)cc1O,0.0
COc1ccc([C@@H]2CC(=O)c3c(cc(OC)c(C)c3O)O2)cc1-c1c(O)cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc12,0.0
Cc1cc(Oc2cccc(CNC(=O)c3[nH]c4ccc(Cl)cc4c3C)c2)ccc1CCC(=O)[O-],0.0
Cc1[nH+]c(N)ccc1CNC(=O)Cn1c(C)cc2c(c1=O)NC(=O)[C@H](CC1CCC1)C2,0.0
Cc1cccc(COc2nc3c(c(=O)n(C)c(=O)n3C)n2C)c1,0.0
Cc1ccc(-c2ccc(Cn3c(CC(C)(C)C(=O)[O-])c(SC(C)(C)C)c4cc(OCc5ccccn5)ccc43)cc2)cn1,0.0
Nc1cc[nH+]c2c1ncn2[C@@H]1C[C@@H](CO)[C@@H](O)[C@@H]1O,0.0
Cc1cccc(-c2cn(Cc3cccc(C(N)=O)c3)nc2-c2ccc3ncccc3c2)n1,0.0
COC(=O)c1ccc2c(c1)NC(=O)/C2=C(\Nc1ccc(N(C)C(=O)Cn2ccnc2)cc1)c1ccccc1,0.0
CN(C)S(=O)(=O)Oc1c2c(c([O-])c3nccnc13)C(=O)N(Cc1ccc(F)cc1)C2,0.0
CCN1C(=O)C(C)(C)c2cc3[nH]c4c(c3cc21)CCCc1c-4n[nH]c1C,0.0
Nc1ncc(-c2ccc(C(F)(F)F)cc2)c(-c2c[nH]c3ccccc23)n1,0.0
Cc1nc2ccc(P(=O)([O-])[O-])cc2s1,0.0
CONC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc([C@H]4CC[N@H+](C)CC4)cc3)ncc2c1=O,0.0
O=C1OCCN1[C@H]1CC[N@H+](CCc2ccc(Oc3nc4ccccc4s3)cc2)CC1,0.0
[NH3+]C1(Cc2cccc3ccccc23)CCN(c2ncnc3[nH]ccc23)CC1,0.0
COc1cc2c(cc1OC)[C@@H]1C[C@@H]([NH3+])[C@@H](c3cccc(CF)c3)CN1CC2,0.0
CCCCCCc1ccc(Oc2ncccn2)c(OC)c1,0.0
Cn1ccc2ccc3c4[nH]c5c(CC[NH2+][C@H]6CC[C@H](O)CC6)cccc5c4c4c(c3c21)C(=O)NC4=O,0.0
CC1(C)C[C@@H](O)C[C@](C)(CNS(=O)(=O)c2ccc3oc4ccccc4c3c2)C1,0.0
COc1ccc(-c2cc(=S)c3ccccc3o2)cc1,0.0
Cc1cc(NC(=O)[C@H]2C(=O)N3c4ccccc4Oc4cccc2c43)no1,0.0
C#Cc1cccc(Nc2nccc3c(Nc4ncccc4-c4cc(NC)ncn4)c(C)ccc23)c1,0.0
O=C(CCS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCN(c2cccc3[nH+]c(CO)cn23)CC1,0.0
COc1ccccc1Sc1ccc(-c2cc[nH+]c(N3CCCN(C(C)=O)CC3)c2)cc1C(F)(F)F,0.0
O=C(NCc1ccc(S(=O)(=O)N2CCC(n3nnc4ccccc43)CC2)s1)c1ccc(Cl)cc1,0.0
Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NCc1ccc([N-]S(=O)(=O)C(F)(F)F)cc1,0.0
Fc1ccc(-n2nc(C3OCCO3)c3c2[C@H](Cc2cccc4ccccc24)CCC3)cc1,0.0
O=S(=O)([N-]c1ccc2c(c1)CC[N@@H+](Cc1ccn[nH]1)CC2)c1ccc(-c2ccccn2)s1,0.0
CCC[N@H+](CCN1CCN(C(=O)c2cnc3ccccc3c2)CC1)[C@@H]1CCc2c(O)cccc2C1,0.0
Cc1cc(C(=O)N2CCN(C)CC2)[nH]c1/C=C1\C(=O)Nc2ncnc(Nc3ccc(F)c(Cl)c3)c21,0.0
CCC[C@H]1[NH2+]C[C@@H](O)[C@H](O)[C@H]1O,0.0
O=C(Nc1ccc(F)nc1)[C@@H]1CCC[C@H]1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1,0.0
CNC(=O)c1ccc(C(OCCCCCCn2cc(C)c(=O)[nH]c2=O)(c2ccccc2)c2ccccc2)cc1,0.0
Cc1ccc(O)cc1Nc1cc(C[C@H]2CC[N@H+](C)CC2)nc(-n2cnc3ccccc32)n1,0.0
NC(=O)c1ccc2cc(Br)c(C(F)(F)P(=O)([O-])[O-])cc2n1,0.0
CNC(=O)c1cccc(-c2c[nH+]c(N)c3c(-c4ccc(NC(=O)Nc5cccc(C)c5)cc4)csc23)c1,0.0
CC(C)S(=O)(=O)NC[C@H](C)[C@H]1CC[C@H](c2ccc(C#N)cc2)CC1,0.0
CN(Cc1c2ccccc2cc2ccccc12)C(=O)[C@@H]1CC(=O)N([C@@H]2C[C@@H]3CC[C@H]2C3)C1,0.0
CCCN1C=C(c2ccc(Nc3nc(Nc4ccccc4C(N)=O)c4cc[nH]c4n3)c(F)c2)CCC1,0.0
O=C1c2ccccc2-c2n[nH]c3cccc1c23,0.0
O=C([O-])C1=C(C(=O)Nc2c(F)cc(-c3cccc(OC(F)(F)F)c3)cc2F)COC1,0.0
Cn1c(C(F)(F)c2nc3c(F)cc(F)cc3[nH]2)nc2ccc(C(=O)N[C@@H](O)COc3ccc(F)cc3)cc21,0.0
C[NH+](C)CCc1ccc(Nc2nccc(-c3c(-c4cccc(NC(=O)c5c(F)cccc5F)c4)nc4sccn34)n2)cc1,0.0
O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1[C@H](O)C[C@@](O)(C(=O)[O-])C[C@@H]1OC(=O)/C=C/c1ccc(O)c(O)c1,0.0
Fc1ccc(-c2[nH]c(-c3ccc(F)cc3)c3c2[C@@H]2C=C[C@H]3C2)cc1,0.0
N#Cc1c(N)n(-c2cccc(S(N)(=O)=O)c2)c2nc3ccccc3nc12,0.0
CC(C)(C)Nc1nc(C(F)(F)F)nc2ccc(-c3cccc(N)c3)cc12,0.0
Nc1ncc(NC(=O)c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2Cl)cc1Cl,0.0
Oc1ccc2c(c1)O[C@H](c1ccc(OCCN3CCOCC3)cc1)C1=C2COc2cc(O)ccc21,0.0
N#Cc1ccc(C(=O)N2CCC3(CC2)Nc2c(F)ccc(F)c2C(N)=[NH+]3)cn1,0.0
Cc1ccc2c(c1)c(-c1ccnc3c(C)cccc13)c(C)n2CC(=O)[O-],0.0
NS(=O)(=O)c1ccc(NC(=O)c2c(F)c(F)cc(F)c2F)c(F)c1,0.0
CC(C)(C)c1cc(C(=O)c2ccccc2)cc2c1OCC2(C)C,0.0
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H]([NH3+])[C@H](O)[C@H](C)O1,0.0
COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(-c4nnn[n-]4)s3)c2cc1OC,0.0
NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1CCN2CC[C@@](N)(Cc3ccccc3)C(=O)N12)C(=O)C(=O)NCCc1ccccc1,0.0
Cn1c(CNc2ccc(C(N)=[NH2+])cc2)nc2cc(N(CC(=O)[O-])S(=O)(=O)c3cccc4cccnc34)ccc21,0.0
Cc1cc(Oc2ccc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C(=O)NO)cc2)c2ccccc2[nH+]1,0.0
CCC1=C(c2ccc(O)cc2)[C@H](CC)c2cc(O)ccc21,0.0
O=P([O-])([O-])[C@@](Cl)(Cc1cccnc1)[P@@](=O)([O-])O,0.0
CC[C@H](C)C(=O)O[C@H]1C[C@H]2[C@@H](CC[C@@H]3C[C@H](O)CC[C@@]32C)[C@@H]2CC[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@]12C,0.0
Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc(Nc3ccnc4ccc([N+](=O)[O-])cc34)c2)cc1,0.0
C[C@](CCC(=O)[O-])(NC(=O)c1ccc(CC[C@H]2CNc3[nH+]c(N)nc(N)c3C2)o1)C(=O)[O-],0.0
CCOc1c(-c2cccc3cc(/C(C)=C/C(=O)[O-])sc23)cc(C(C)C)cc1C(C)C,0.0
Cc1nc2ccc3ccc(CNc4ccc5c(c4)CN([C@@H](CCC(=O)[O-])C(=O)[O-])C5=O)cc3c2c(=O)[nH]1,0.0
O=C([O-])Cn1nc2n(Cc3ccc(CC(=O)Oc4ccccc4)cc3)c3ccccc3n2c(=O)c1=O,0.0
Cc1c(-c2nc3ccccc3[nH]2)cn2ncc(C#N)c(Nc3ccc(Oc4ccccc4)cc3)c12,0.0
Cc1cc(Nc2cc(N3CC[NH+](C)CC3)nc(/C=C/c3ccccc3)n2)[nH]n1,0.0
C[C@@H]1C[C@@H]2O[C@@H]2/C=C\C=C\C(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1,0.0
O=S1(=O)N=C([O-])CC12c1cc(F)ccc1-c1ccc(F)cc12,0.0
C[C@@]1(Cc2ccccc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ccccc21,0.0
CC(C)(C)c1ccc2[nH]c3ccccc3c2c1,0.0
CS(=O)(=O)/N=C(\[O-])c1ccc(-c2ccc(CC[NH2+]C[C@H](O)c3c[nH+]ccc3N)cc2)cc1OC1CCCCC1,0.0
COc1ccc2c(c1)CN(Cc1c[nH+]c(N)nc1N)C[C@@H]2c1cccc([N+](=O)[O-])c1,0.0
C[NH+]1CCN(c2cnc3cc(C(F)(F)F)cc([N-]S(=O)(=O)c4cccc([N+](=O)[O-])c4)c3n2)CC1,0.0
c1ccc(C[N@H+]2CC[C@H](CCNc3cc4c(nn3)-c3ccccc3C4)CC2)cc1,0.0
C=CCNC(=O)CCC(=O)Nc1ccc2c(c1)C(=O)C(=O)NC2=O,0.0
Cc1[nH]c2ccccc2c1CCC[N@H+]1CC[C@H](c2noc3cc(F)ccc32)CC1,0.0
CC(C)c1c(/C=C/[C@@H]2C[C@@H](O)CC(=O)O2)c(-c2ccc(F)cc2)c2cc(F)ccc2[n+]1[O-],0.0
CC(=O)O[C@H]1CC[C@H]2[C@H]3[C@H](Sc4ccc(Br)cc4)C(=O)c4cc(O)ccc4[C@@H]3CC[C@]12C,0.0
O=S(=O)([O-])c1cccc2cccc(Nc3ccccc3)c12,0.0
O=C(CCCCCCC(=O)Nc1ccc(-c2cnnn2Cc2ccc(F)cc2)cc1)NO,0.0
CSc1sc(C(N)=[NH2+])cc1-c1csc(Nc2ccc(Cc3ccccc3)cc2)n1,0.0
CCCCNC(=O)c1cc(N)c2c(c1N)C(=O)c1ccccc1C2=O,0.0
Cc1cc(N2CCCS2(=O)=O)c2oc(-c3ccc(O)c(Br)c3)c(O)c(=O)c2c1,0.0
Oc1ccc(-c2ccc3c(c2)CCC[C@@H]3c2ccncc2)cc1O,0.0
CN(Cc1cc(Cl)ccc1C#N)[C@H]1CC[N@H+](CCc2ccccc2)CC1,0.0
Nc1nc2c(nc(N)n2[C@H]2O[C@H](CSc3ccccc3)[C@@H](O)[C@H]2O)c(=O)[nH]1,0.0
Cn1c(-c2ccccc2C(F)(F)F)nnc1[C@]12CC[C@](c3nc(-c4ccc([C@@H](O)C(F)(F)F)cc4)no3)(CC1)CC2,0.0
Cc1c(C)n(-c2ccccc2)c2nc(-c3ccccc3)nc(N)c12,0.0
Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])c(C)s2)cc1,0.0
CCCc1cc(C2CCCCC2)ccc1OCCCOc1cccc([C@H]2OC(=O)NC2=O)c1,0.0
COc1cc2nccc(Oc3ccc4c(c3)OCCN4C(=O)Nc3ccc(Cl)cc3)c2cc1C(N)=O,0.0
CN1CC[C@@]2(C)c3cc(OC(=O)Nc4cccc5ccccc45)ccc3N(C)[C@@H]12,0.0
CS(=O)(=O)c1ccc([C@H](CC2CCOCC2)C(=O)Nc2nc(-c3ccccc3)cs2)cc1,0.0
O=C([O-])c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](Nc2ccc(Cc4ccncc4)cc2)C3)cc1,0.0
[NH3+]CCCC[C@H](NC(=O)c1ccc(F)cc1)C(=O)c1noc(Cc2ccc(C(=O)NCCc3cccc(Cl)c3)cc2)n1,0.0
Nc1nc2c(NCc3ccccc3)cccc2n2c(=O)n(-c3ccccc3)nc12,0.0
O=C1NC(=O)[C@@H](c2cc(Cl)ccc2S(=O)(=O)CCc2ccc(Cl)cc2)N1,0.0
O=C(Nc1cc(-c2cc3c(=O)[nH]cnc3[nH]2)ccn1)c1ccc(C2CCCC2)cc1,0.0
NC1=[NH+][C@H](Cc2ccccc2)CCC1,0.0
O=C([O-])CN1C[C@@H](c2ccccc2)CC[C@H]([NH2+][C@@H](CCc2ccccc2)C(=O)[O-])C1=O,0.0
CN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)[C@]12CN(c1nc3cc(C(=O)[O-])ccc3o1)C[C@H]2c1ccc(C#N)cc1,0.0
CCCC/C(=C\Cn1oc(=O)nc1[O-])c1cccc(OCc2cc(Cl)cc(Cl)c2)c1,0.0
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(NCCc4c[nH]c[nH+]4)nc32)[C@H](O)[C@@H]1O,0.0
CC(C)Oc1cc(OCCCc2ccccc2)cc(C(=O)Nc2ccc(C(=O)[O-])cn2)c1,0.0
C[C@@H](C(=O)[O-])c1ccc(-c2ccc3[nH]ccc3c2)cc1,0.0
CC1=C2c3ccc4n[nH]nc4c3C[C@]2(Cc2ccc(F)cc2)CCC1=O,0.0
CCc1c(-c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1-c1cccc([C@@H](O)C(=O)[O-])c1,0.0
CCc1cc(-c2cccc(N)n2)c(OC)cc1C[NH+](C)C,0.0
CC[C@]1(CC(=O)[O-])CC[C@H](Cc2ccccc2)c2c1[nH]c1ccccc21,0.0
O=C1Cc2cc(Cl)c(-c3ccccc3)cc2O1,0.0
CC1=[NH+]CC(=O)Nc2ccc(-c3ccc(F)c(Cl)c3)cc21,0.0
CCc1cc2cc([C@H](CC[NH+]3CCCCC3)Cc3ccc4c(c3)OCCO4)ccc2[nH]c1=O,0.0
CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)[O-],0.0
CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OCc6ccc(C(=O)[O-])cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,0.0
Cc1ccc(F)c(C(=O)Nc2ccc(Oc3ncnn4cc(OCCN5CCOCC5)c(C)c34)c(F)c2)c1,0.0
C[C@@H]1CNC(=O)c2[nH]c3ccc(C(=O)Nc4cccc(C#N)c4)cc3c21,0.0
CCc1c2c(nc3ccc(OC(=O)N4CCC([NH+]5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC,0.0
CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)[NH2+]C[C@H](O)COc1cccc2c1C1(CC1)C(=O)N2,0.0
O/N=C/c1ccc(-c2ccc(O)cc2)c2ccccc12,0.0
Cc1cc(NC(=O)C(=O)[O-])cc(C)c1Oc1ccc(O)c2c1CCC2,0.0
NC(=[NH2+])c1ccc2cc(CCc3ccc(C[NH+]4CCCC4)cc3)cc(Nc3ncccn3)c2c1,0.0
CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1,0.0
Cn1c(=O)[nH]c(N2CCC(C(=O)c3ccccc3)CC2)c(Cc2ccccc2)c1=O,0.0
COc1cc(Cn2cncc2CCN2CCN(c3cccc(Cl)c3)C(=O)C2)ccc1-c1ccc(C(F)(F)F)cc1,0.0
Cc1ccc(C(=O)[O-])c(Oc2nc(Oc3cc(N)cc(-c4cccc(C[NH3+])c4)c3)c(F)c(N3CC[C@@H]([NH+](C)C)C3)c2F)c1,0.0
O=C(c1cc(Cc2ccccc2)ccn1)c1ccc2cccnc2c1O,0.0
CCO[C@H](Cc1ccc(OCCC2c3ccccc3-c3ccccc32)cc1)C(=O)[O-],0.0
Cc1occc1-c1nc(N)c(OC[C@@H]([NH3+])Cc2c(C#N)[nH]c3ccccc23)cc1-c1cnc2[nH]nc(C)c2n1,0.0
Cc1cc2cc(n1)NCCCCOc1cccc(c1)C[C@@H]([C@H](O)C[NH2+]Cc1cccc(C(C)C)c1)NC2=O,0.0
CC(=O)C(=O)N1CCC(c2cc(-c3ccnc(N[C@@H](C)c4ccccc4)n3)c(-c3cccc(C(F)(F)F)c3)nn2)CC1,0.0
O=S(=O)(N[C@H]1CC[C@H](CC[N@H+]2CC[C@H](Cc3cccc(C(F)(F)F)c3)CC2)CC1)c1cc2ccccc2s1,0.0
c1csc(CNc2ncnc3ccc(-c4ccc5c(c4)OCO5)cc23)c1,0.0
O=C(Nc1cccc(-c2c[nH]c3ncc(-c4ccc[nH]4)cc23)c1)Nc1ccccc1Oc1ccccc1,0.0
COc1cc2[nH+]c(Nc3cc(C)[nH]n3)nc(Nc3cccc(-c4nc5ccccc5s4)c3)c2cc1OC,0.0
COc1ccc2cc(C(=O)CC[C@H]3CC[N@@+](C)(Cc4ccccc4)CC3)ccc2c1,0.0
O=C([O-])c1c[nH]c(-c2ccccc2)n1,0.0
O=C1Nc2ccc(/C=C/c3ccccc3)cc2C1=O,0.0
O=C(CCc1noc2c1ccc1cc(O)ccc12)Nc1ccccc1C(=O)[O-],0.0
O=C1CC[N@@H+](Cc2ccn3ncnc(Nc4ccc5c(cnn5Cc5cccc(F)c5)c4)c23)CCN1,0.0
Nc1ccc2c(c1)nc(-c1nonc1N)n2C1CCC1,0.0
Cc1c[nH]c2ncnc(N3CCN(C(=O)Nc4ccc(F)c(Br)c4)[C@@H](C)C3)c12,0.0
OC[C@@H]1O[C@H](n2cnc3c2N=CCC[C@H]3O)[C@@H](O)[C@H]1O,0.0
O=C(Nc1c(F)c(F)nc(F)c1F)c1cc2ccccc2oc1=O,0.0
COc1cc(OC)c2c(c1)OC[C@H](OC(=O)c1cc(O)c(O)c(O)c1)C2,0.0
CC(C)c1c(OC2CCCCC2)c2cc(Cl)ccc2[nH]c1=O,0.0
COc1cccc(CN(C(=O)C2=C(c3ccc(CCCOc4c(F)ccc(F)c4Cl)cc3)CC[NH2+]C2)C2CC2)c1C,0.0
[NH3+]C1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1,0.0
O=C(SCCCc1ccccc1)[C@@H]1[C@@H]2CC[C@@H](C2)N1S(=O)(=O)c1ccccc1,0.0
Cn1c(=O)c(Nc2ccc(NC(=O)c3ccon3)cc2)nc2ccccc21,0.0
Oc1cccc(-c2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)c1,0.0
COc1ccc([P@@](=O)(OCCc2ccc(-c3ccccc3)cc2)N2Cc3ccccc3C[C@@H]2C(=O)NO)cc1,0.0
O=c1[nH]c2c(n3ccnc13)[C@]1(CCCC[NH2+]1)c1ccccc1-2,0.0
Nc1nc(-c2cccc(Cl)c2)c(-c2ccc3ncccc3n2)s1,0.0
[NH3+][C@@H]1CCN(C(=O)c2ccc3[nH]c(-c4cc5ccccc5[nH]c4=O)cc3c2)C1,0.0
C[N@@H+]1CCC[C@@H](Oc2cccc3[nH]c(=O)c(-c4nc5ccccc5[nH]4)c(N)c23)C1,0.0
O=C1C=C(C2CCCCC2)c2ccccc2C1=O,0.0
C[C@H](Cc1ccc2[nH]c(C(=O)NCC3CCC3)cc2c1)[NH2+]C[C@H](O)c1ccc(O)c(CO)c1,0.0
Nc1ccn2c(-c3ccnc(N[C@H]4CCCc5ccccc54)c3)c(-c3ccccc3)nc2n1,0.0
CC(C)C[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(N)=O)CC[C@@H](C)N1C(=O)Cc1cnc2ccccc2c1,0.0
Cc1ccc(NC(=O)CSc2ccccc2)c(C)c1C(=O)N[C@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C,0.0
O=C(/C=C/[C@H]1CC[C@H](c2ccc(O)cc2)CC1)NO,0.0
CCn1nnc(-c2ccc3c(=O)c4cc(O)ccc4oc3c2)n1,0.0
O=C(Oc1cccc2ccccc12)c1cc(NCc2cc(O)ccc2O)ccc1O,0.0
CC(=O)CSc1nc([O-])c(C(C)C)c(Cc2cccc3ccccc23)n1,0.0
Cc1ccc2c(-c3ccccc3)nc(=O)n(C(C)C)c2c1,0.0
O=C1NC(=O)c2c1ccc1c2c2cc(O)ccc2n1CCCC(=O)n1ccnc1,0.0
O=C([O-])c1cccc2c3c(n(Cc4ccccc4)c12)CCC3,0.0
O=C([O-])CC1=C/C(=C\c2ccc(-c3ccc(F)cc3F)cc2)c2ccc(F)cc21,0.0
Cn1cc([C@]2(O)CC[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@@]32C)nn1,0.0
Cc1cccc(-c2nn3c(c2-c2ccc(F)cc2)CCC3)n1,0.0
CC(=O)S[C@H](CC(=O)N1CCC[C@@H]1C(=O)[O-])C(=O)c1ccc(-c2ccccc2)cc1,0.0
Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1-c1ccc(-c2ccc(OCn3cnnn3)cc2)cc1,0.0
O=C1OCCN(C(=O)OCc2ccccc2)[C@@H]1CCC(=O)N1c2ccccc2C[C@H]1C(=O)[O-],0.0
Cc1cc(CNC(=O)c2cc(-c3ccc(-c4ccncc4)cc3)n(C)n2)ccc1OC(C)(C)C(=O)[O-],0.0
O=C([O-])c1cc(NC2CCOCC2)cc(Oc2ccc3c(c2)C[C@@H]([NH2+]C[C@H](O)c2cccc(Cl)c2)CC3)c1,0.0
CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(/C=C/c3ccccc3)n2)cc1,0.0
Cc1ccccc1-c1cccc(C[N@H+]2CC[C@@]3(CC2)C(NC2CCCCC2)=NC(=O)N3c2cccc(F)c2)c1,0.0
COc1cc(C(=O)NCCC(=O)NNc2c3c(nc4ccccc24)CCCC3)cc(OC)c1OC,0.0
COc1ccc(CCCOC(=O)[C@@H]2CCCCN2C(=O)N[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)c(OC)c1,0.0
Cc1ccc(CC(=O)Nc2ccc(NC(=O)/C=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)cc2C(=O)c2ccccc2)cc1,0.0
Cc1cc(-c2cnc3cccc(-c4ccc(CN5CCS(=O)(=O)CC5)cc4)c3n2)ccc1C(=O)N1CC[NH+](C)CC1,0.0
COc1ccc([C@H](CCc2ccccc2Cl)[NH2+]C[C@H](O)Cc2ccc(O)c([N-]S(C)(=O)=O)c2)cc1OC,0.0
O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3cccc(F)c3F)cs2)cc1,0.0
CC(C)CC1=NC(c2ccccc2)=C(c2ccc(C[N@H+]3CC[C@H](n4c(O)nc5ccccc54)CC3)cc2)N[C@@H]1O,0.0
O=C1NC(=O)[C@]2(CCOc3c2cc(Cl)c2ccccc32)N1,0.0
CC(C)C[C@H](C(=O)[O-])N1C(=O)c2ccc(C(=O)[O-])cc2C1=O,0.0
Nc1onc(-c2ccc(Cl)cc2)c1C(=O)[O-],0.0
Oc1ccc(-c2cc(-c3cccc(O)c3)cs2)cc1,0.0
O=C1C=C(c2cccc(-n3ccnc3)c2)Nc2ccc(-c3ccccc3F)cc2N1,0.0
CC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN(O)C=O)C(=O)c1ccc(N2CCN(CC[NH+]3CCCC3)CC2)c(F)c1,0.0
CCCc1ccc(C(=O)N2CCN(c3cc(Oc4ccc(C[C@@](C)(Oc5ccccc5)C(=O)[O-])cc4)nc(N)n3)CC2)cc1,0.0
Oc1cccc(N2CCc3cc(O)ccc3[C@@H]2c2ccc(N3CC[NH+](C4CCCCC4)CC3)cc2)c1,0.0
CCc1cc(NCc2ccc3ccccc3c2)c(S)nc1C,0.0
OCCCCC1=Nc2ccccc2-c2ncnc3[nH]cc1c23,0.0
CNc1ncc2cc(-c3cc(Nc4nc5cc(C(F)(F)F)ccc5[nH]4)ccc3C)ccc2n1,0.0
O=C1NCCc2[nH]c(-c3ccnc(-c4ccc(O)cc4)c3)cc21,0.0
Cc1ccc(C(N)=O)cc1-c1cc2cnn(-c3c(F)cccc3F)c2n(C)c1=O,0.0
CC(C)C[NH+]1CCN(CCc2ccc(-c3cccc(N)[nH+]3)cc2)CC1,0.0
CC[C@@](C)(Cc1ccc(OCCCOc2ccc3c(c2)OC(C)(C)C=C3c2cccc(C(F)(F)F)c2)cc1)C(=O)[O-],0.0
Cc1cc(C[N@H+](CC(=O)Nc2ccc(Cl)cc2Cl)C2CCCCC2)ccc1OCC(=O)[O-],0.0
O=C([O-])Cc1cccc2c(NCc3cccc(-c4c(Cc5ccccc5)cnc5c(C(F)(F)F)cccc45)c3)cccc12,0.0
COc1ccc(Sc2ccc3c(c2)N=C(c2ccc(C(=O)[O-])cc2)c2cc4c(cc2N3C)C(C)(C)CCC4(C)C)cc1,0.0
Cc1ccccc1-c1ccc2c(C)cc(Oc3ccc(C(N)=[NH2+])cc3)nc2c1,0.0
CC1=C(C)C(=O)C(c2cn([C@@H]3C[C@@H](O)[C@@H](COP(=O)([O-])[O-])O3)c(=O)[nH]c2=O)=CC1=O,0.0
CS(=O)(=O)N1Cc2cc(-c3ccccc3)ccc2N(Cc2c[nH]c[nH+]2)C[C@H]1Cc1ccncc1,0.0
CC(C)[C@H](NC(=O)COc1cccc2ccccc12)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1ccc2ccccc2c1,0.0
C[NH+](C)CC(=O)NCc1c(C[N@H+](C)[C@H]2CCCc3cccnc32)ncc2ccccc12,0.0
C[NH2+][C@@H](C)C(=O)N[C@H]1C/C=C\C[C@H]2[C@@H](Cc3ccccc3)C[C@@H](C(=O)N[C@@H]3CCCc4ccccc43)N2C1=O,0.0
O=C(Cc1ccccn1)Nc1ccc(CC[NH2+]C[C@H](O)COc2cccc3[nH]c4ccccc4c23)cc1,0.0
C[C@@H](NC(=O)CNC(=O)Nc1ccc(C(N)=[NH2+])cc1)c1ccc(OCc2cccc(Cl)c2)cc1,0.0
O=C(NO)C1(S(=O)(=O)c2ccc(N3CCC(c4cccc5ccccc45)CC3)cc2)CCOCC1,0.0
O=C(NO)[C@H](NCc1cccc(C(F)(F)F)c1)c1ccc(F)c(F)c1,0.0
Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(-c3nnn[n-]3)cc2)cc1,0.0
CC1CCN(C(=O)c2cccc(CS(=O)(=O)c3c(Cl)cccc3Cl)n2)CC1,0.0
O=c1c2cc(F)ccc2nc(/C=C/c2cccc(N3CCCC3)[nH+]2)n1-c1ccccc1Cl,0.0
O=P([O-])([O-])[C@H](Cn1cnc2c(Cl)ncnc21)[P@@](=O)([O-])O,0.0
O=C[n+]1cccn1-c1cc2c(cc1Cl)[nH]c(=O)c1nc(C(=O)[O-])nn12,0.0
Nc1ccccc1NC(=O)c1ccc(CNc2nccc(-c3ccn[nH]3)n2)cc1,0.0
O=C(N[C@H]1[C@@H]2C[C@H]3C[C@@H](C2)C[C@@H]1C3)N1CCC(c2ccccc2)CC1,0.0
Nc1nc([O-])c2[nH]cc(Cc3ccncc3)c2n1,0.0
O=C(/C=C/c1ccc(C(=O)N/N=C/c2ccc(O)c(O)c2O)cc1)NO,0.0
CS(=O)(=O)c1ccc(-c2cc3c(cc2C=C2CCCCCC2)OCO3)cc1,0.0
O=C1c2ccccc2C(=O)N1c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1,0.0
NC(=O)c1nn(-c2cccc(-c3n[nH]c(=O)[nH]3)c2)c2c1CCN(c1ccc(-c3ccccc3C[NH+]3CCCC3)cc1)C2=O,0.0
NC(=[NH2+])c1ccc(CNC(=O)Cn2c(-c3cc(N)cc(C(=O)[O-])c3)c(Cl)nc(NC3CCC3)c2=O)cc1,0.0
C[C@@H]1C[C@H]([NH2+]CCc2ccccc2)[C@H](O)[C@H](O)[C@H]1O,0.0
C[NH+](C)[C@H]1CCCN(c2ccc(C(F)(F)F)cc2NC(=O)c2cc(C#Cc3cnc(N)nc3)ccc2F)C1,0.0
C[C@@H](Nc1cc2c(-c3cc(Cl)cc(CCC(N)=O)c3)noc2cn1)c1ccccc1,0.0
COc1cc(-c2ccc3c(-c4nc5c(N6CC[NH+](C)CC6)cccc5[nH]4)n[nH]c3c2)ccc1O,0.0
COc1ccc(-c2ccc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H]3CC[C@H](N4C(=O)CNC4=O)CC3)cc2)cc1,0.0
Brc1cccc(Nc2ncnc3ccc(N/N=[NH+]\Cc4ccccc4)cc23)c1,0.0
CN1C(=O)C=C[C@@]2(C)[C@@H]3CC[C@@]4(C)[C@H](O)[C@H](Cc5cccc(F)c5)C[C@H]4[C@H]3CC[C@@H]12,0.0
O/N=C1\CCc2cc(-c3[nH+]c(CN4CCOCC4)[nH]c3-c3ccncc3)ccc21,0.0
O=S(=O)(c1ccc2ccccc2c1)N1CCN(c2ncccc2C(F)(F)F)CC1,0.0
Cc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1C,0.0
c1ccc(-c2n[nH]cc2-c2ccnc(-c3ccc(OCCn4cc[nH+]c4)cc3)c2)nc1,0.0
C[C@H](Nc1nccc(-n2cnc3ccccc32)n1)[C@@H]1CN(C(=O)Nc2cccc3ccccc23)CCN1c1cc[nH+]cc1,0.0
c1ccc2c3c([nH]c2c1)C1=[NH+]CCN1CC3,0.0
C[C@@H](C1CCCCC1)N(C)C(=O)c1cc2ccccc2n1C,0.0
O=C(C[C@H]1Sc2ccccc2N(CC(=O)Nc2cc(F)ccc2F)C1=O)NO,0.0
Cc1ccc(C(=O)Nc2cccc(C(C)C)c2)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1,0.0
CC(C)c1ccc(Nc2nnc(-c3cccc4cnccc34)c3ccccc23)cc1,0.0
Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@H](C(=O)[O-])[C@@H](CC(C)C)OCc2ccccc2)c(C)c1,0.0
CCCC[C@H](CC(=O)NO)[S@](=O)c1ccc2ccccc2c1,0.0
O=c1[nH]c(CCC[N@@H+]2CCC3=C(CCc4ccccc43)C2)nc2ccccc12,0.0
O=C1O[C@](O)(c2ccc(O)c(Cl)c2)c2ccc([N+](=O)[O-])c3cccc1c23,0.0
Cc1ccc2oc(C(=O)c3ccccc3)c(-c3cnc4c(c3)COc3ccccc3-4)c2c1,0.0
COCCOCOc1cc(C)c(-c2ccc3cc(C(=O)[O-])ccc3c2Cl)cc1[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2,0.0
NC(=[NH2+])c1ccc2c(c1)c(CCO)cn2CC(=O)N1CCC(Cc2ccccc2)CC1,0.0
C[C@H]1CN(c2ccc(F)cc2C(F)(F)F)CCN1S(=O)(=O)c1ccc(N2CCS(=O)(=O)CC2)cc1Cl,0.0
Cc1cccc(Oc2nc(-c3ccc(S(C)(=O)=O)cc3)cc(C(F)(F)F)n2)c1,0.0
O=c1[nH]c2c(n3cc(P(=O)([O-])[O-])nc13)Cc1c(Cc3nnn[n-]3)cccc1-2,0.0
Nc1nc2c(c(=O)[nH]1)N=C(c1cccnc1)C2,0.0
c1ccc(-c2ccc(COc3ccc4c(c3)CC[C@@H](CC[NH+]3CCCCC3)C4)cc2)cc1,0.0
C[C@@H](c1nc(-c2ccc(S(C)(=O)=O)cc2Cl)no1)[C@H]([NH3+])Cc1cc(F)c(F)cc1F,0.0
NC(=[NH2+])c1cc2c(O[C@H](COC(=O)NCc3ccccc3)c3ccccc3)cccc2s1,0.0
C[C@@H]1CCC[NH+]=C1N[C@@H](P(=O)([O-])[O-])[P@@](=O)([O-])O,0.0
CCOC(=O)c1cn2c3c(nc([O-])c2n1)-c1ccccc1C3,0.0
Nc1nc(N)c2nc(CN3c4ccccc4C=Cc4cc(OCc5ccc(C(=O)[O-])cc5)ccc43)cnc2n1,0.0
COc1ccc2c(c1)C[C@H](C(=O)Nc1ccc(-c3cn[nH]c3)cc1OC[C@H]1CC[N@H+](C)CC1)NC2,0.0
O=C([O-])CN1C(=O)S/C(=C\c2cccc(-c3cc(=O)c4ccccc4o3)c2)C1=O,0.0
C[NH2+]Cc1cc(=O)oc2cc(OCc3ccc4c(c3)OCO4)ccc12,0.0
CCc1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1,0.0
CC1=C(c2ccc(O)cc2)C2(Cc3ccccc3C2)c2ccc(O)cc21,0.0
O=C(N[O-])c1cnc2cc(C(F)(F)F)ccc2c1N(Cc1cccnc1)S(=O)(=O)c1ccc(-c2ccccc2)cc1,0.0
O=C(c1ccccc1)N1Cc2cc(O)ccc2[C@@H](c2ccc(O)cc2)C1,0.0
O=C(c1ccc2nc(Nc3ccc(S(=O)(=O)/N=C(\[O-])c4ccccc4)cc3)cn2c1)c1c(Cl)cccc1Cl,0.0
Cc1noc(C)c1-c1ccc(CNC(=O)c2cnc3c(c(C)nn3-c3ccccc3)c2Cl)cc1,0.0
CC(C)(C)c1ccc(S(=O)(=O)N2CCC3=CC(=O)CC[C@]3(Cc3ccc(-c4ccncc4)cc3)C2)cc1,0.0
CC(C)(Oc1ccc(CCN(C(=O)Nc2ccc(F)cc2F)C2CCCCCC2)cc1)C(=O)[O-],0.0
C[C@@H]1CN(c2n[nH]c3c(Cl)cccc23)[C@@H](C)CN1C(=O)c1cc2c(C(=O)C(=O)N(C)C)cn(C)c2cc1Cl,0.0
c1ccc(N2CC[NH+](CC[C@H]3CC[C@H](c4c[nH]c5ccccc54)CC3)CC2)nc1,0.0
C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@]2(C=O)[C@@H](C(=O)CO)CC[C@@H]12,0.0
O=C(NCCCn1cnc(-c2ccc(F)cc2)c1-c1ccncc1)c1ccccc1,0.0
CC1(c2nnc3ccc(-c4ocnc4-c4ccc(F)cc4F)cn23)CCC1,0.0
COc1cc(-c2ccc3c(c2)Nc2ccc(CC(=O)Nc4ccc(N5CCOCC5)cc4)cc2NC3=O)ccc1N,0.0
O=C(Cc1ccccc1)c1ccc(O)c(O)c1[N+](=O)[O-],0.0
CC(C)c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H](CN2C(=O)CCCC2=O)CC1,0.0
Cc1cccc(C)c1CNc1cc(-c2ccccn2)cn2c(C)c(C)[nH+]c12,0.0
O=C1NCCN1CC[N@H+]1CC[C@H](c2cn(-c3ccc(F)cc3)c3ccc(Cl)cc32)CC1,0.0
O=C([O-])COc1cccc(-c2ccccc2-c2cc(-c3ccccc3)c(-c3ccccc3)o2)c1,0.0
[NH3+][C@@H](CCC(=O)Nc1ccc(Oc2ccccc2)cc1)CN1C(=O)c2ccccc2C1=O,0.0
C[NH+]1CCN(c2cccc(-c3cnn4c(N)c(-c5ccc(O)cc5)cnc34)c2)CC1,0.0
Cc1cc(OCc2nc(-c3ccc4c(c3)OCCO4)c(-c3ccc(OC(F)(F)F)cc3)s2)ccc1OCC(=O)[O-],0.0
O=C(CNO)Cc1cn(C(=O)OCc2ccccc2)c2ccc(Br)cc12,0.0
COCCC(=O)Nc1cc(-c2ccnc(Nc3ccccc3)c2)ccn1,0.0
Cc1cc(OCP(=O)([O-])[O-])cc(C)c1Cc1ccc(O)c(-c2ccccc2)c1,0.0
CCCc1c(OCCCN2CCCc3c(OC(C)(C)C(=O)[O-])cccc32)ccc2cc(C(=O)c3ccccc3)ccc12,0.0
O=S(=O)(Nc1ccccc1)c1ccc2c(c1)CCN2c1cccc(CCCC2CCCC2)[nH+]1,0.0
CC(C)(C)c1cc(Oc2c(Cl)cc(/[NH+]=c3\c([O-])c(O)c3=O)cc2Cl)ccc1O,0.0
COC(=O)N1CC2(CC2)C[C@H](C(=O)NO)[C@H]1C(=O)N1CC=C(c2ccccc2)CC1,0.0
O=c1cc(C(F)(F)F)c2c(ccc3c2oc(=O)c2cccc(O)c23)[nH]1,0.0
FC(F)(F)c1cccc(-c2noc(-c3sccc3Cl)n2)c1,0.0
COc1cc2nccc(Oc3ccc(-c4ccc(Cc5ccccc5)nn4)cc3F)c2cc1OC,0.0
O=c1[nH]c2cc([N+](=O)[O-])c([N+](=O)[O-])cc2cc1-c1nnn[n-]1,0.0
O=S(=O)(/C=C/c1cc(O)c(O)c(O)c1)CS(=O)(=O)/C=C/c1cc(O)c(O)c(O)c1,0.0
CN1C(=O)[C@H](Cc2ccc(C(N)=[NH2+])cc2)Oc2cc(N(Cc3ccccc3)C(=O)CC(=O)[O-])ccc21,0.0
COc1cc2c(cc1OC)-c1n[nH]c(Nc3cccc(F)c3)c1C2,0.0
[O-]c1nc(Sc2ccccc2)nc2c1ncn2CCCCO,0.0
Cc1cccc(-c2nc(CNc3ccc(C(N)=O)cc3)[nH]c2C2=C[C@H]3NCC=N[C@H]3C=C2)n1,0.0
NC(N)=NC(=O)Cn1c(-c2ccc(Oc3ccccc3)cc2)ccc1-c1csc2ccccc12,0.0
Cc1nn(Cc2ccc3c(c2)OCO3)c(=O)c2nc(C)n3nc(-c4ccccc4)cc3c12,0.0
O=c1c(Cc2c(O)oc3ccccc3c2=O)c([O-])oc2ccccc12,0.0
O=C(Nc1cccs1)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1,0.0
COc1ccc(-c2ccccc2)cc1NNCc1cnc2[nH+]c(N)nc(N)c2c1C,0.0
O=C(C[C@H](Nc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1)c1ccc(N2CCOCC2)cc1,0.0
O=C(C[NH+]1CCCCC1)Nc1ccc2nc3c4[nH]c5ccccc5c4ccn3c(=O)c2c1,0.0
C[C@@H]1CC(C)(C)Nc2ccc3c(c21)COc1ccc([N+](=O)[O-])cc1-3,0.0
N#CCCn1nnc(-c2ccc(-c3ccccc3)cc2)n1,0.0
NC(=[NH2+])c1ccc(/C=C2/CC(c3ccccc3)C/C(=C/c3ccc(C(N)=[NH2+])cc3)C2=O)cc1,0.0
O=C1NC(=O)C2=C1c1cn(c3ccccc13)CCO[C@H](CNS(=O)(=O)c1ccccc1)CCn1cc2c2ccccc21,0.0
Oc1cc(O)cc(-c2cc3ccc(O)cc3o2)c1,0.0
Cc1c(-c2ccc(-c3ccccc3F)cc2)nc2ncccc2c1C(=O)[O-],0.0
COc1ccc2cc(-c3c(-c4ccncc4)nc(-c4ccc([S@@](C)=O)cc4C)n3C)ccc2c1,0.0
Cc1cc(OCC/C=N/[NH+]=C(N)N)cc(OS(=O)(=O)c2cccc3cccnc23)c1,0.0
C[C@H](NC1=NC(=O)[C@](C)(c2ccc(C(=O)NC3CCCC3)cc2)S1)c1ccc(F)cc1,0.0
CCN1C(C)=C(C(=O)NCc2ccccc2)[C@@H](c2ccccc2Cl)C(C(=O)[O-])=C1C(=O)[O-],0.0
CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)[NH3+])C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-],0.0
O=C(NC(=S)Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1ccc([N+](=O)[O-])cc1,0.0
O=C(CCCCCN(CCCc1ccccc1)C(=O)NC(=O)c1ccccc1)NO,0.0
O=P([O-])([O-])[C@](O)(CC[NH2+]CCCOc1ccccc1)[P@@](=O)([O-])O,0.0
Cc1cccc(-c2ccc3c(c2)C(C)(C)C/C3=N\O)c1,0.0
Cc1c(CC(N)=O)c2cc(OCCCC(=O)[O-])ccc2n1CC1CCCCC1,0.0
Cc1ccc2oc(=O)c(C[C@H](Cc3ccccc3)C(=O)NO)cc2c1,0.0
COc1cc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc(OC)c(OC)c2)ccc1O,0.0
NC(=[NH2+])c1ccc(C[C@H](N)C(=O)[C@H]2CCCCN2C(=O)[C@@H](N)S(=O)(=O)c2cccc3ccccc23)cc1,0.0
O=C(Cc1cc[n+]([O-])cc1)N1CCC([C@@H]2c3ccc(Cl)cc3C=Cc3cc(Br)cnc32)CC1,0.0
O=C([O-])c1ccc2c(c1)[C@H](SCC[N@H+]1CC[C@H](n3c(=O)[nH]c4ccccc43)CC1)c1ccccc1CO2,0.0
COc1ccc(CNC(=O)c2cc(S(N)(=O)=O)cnc2Sc2ccc(F)c(F)c2)cc1,0.0
C[C@@H]([C@H]1CC[C@H](c2cccc3ncnn32)CC1)[C@H]([NH3+])C(=O)N1CCC(F)(F)C1,0.0
Cc1nnc(-c2ccc(-c3cc(NC(=O)c4ccnc(N5CCCC5)c4)ccc3C)c(C)c2)o1,0.0
Cn1c(=O)c(-c2c(Cl)ccc(O)c2Cl)cc2cnc(Nc3ccccc3)nc21,0.0
C1=CCc2c(-c3ccccc3)[nH]c(-c3ccccc3)c2C1,0.0
CCc1c(C(=O)N[C@H](CO)c2ccc(-c3ccccc3)cc2)c2c(n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-])CCCC2,0.0
CS(=O)(=O)c1ccc(Oc2cc(O[C@H]3CCC[C@@H]3O)cc(C(=O)Nc3nccs3)c2)cc1,0.0
O[C@]1(c2ccccc2)CC[N@H+](CCOc2ccc(Oc3nc4ccccc4o3)cc2)CC1,0.0
C[N@H+]1CC=C(c2cc3nccc(Oc4ccc(NC(=O)N5CCN(c6ccccc6)C5=O)cc4F)c3s2)CC1,0.0
Cc1c(C(=O)C(N)=O)c2c(OCC(=O)[O-])cccc2n1Cc1c(Cl)cccc1Cl,0.0
CC1(C)CCC(C)(C)c2cc(Cc3coc(/C=C/C(=O)[O-])c3)ccc21,0.0
O=C(CN1C(C(=O)c2ccccc2)=C([O-])c2ccccc2S1(=O)=O)c1ccc(-c2ccccc2)cc1,0.0
O=C(NO)[C@H]1CN(Cc2ccc(Oc3ccc4ccccc4c3)cc2)C(=O)N1,0.0
NC(=[NH2+])c1ccc(-n2ccc3ccc(NCc4ccc5ccc(C(N)=[NH2+])cc5c4)cc32)cc1,0.0
O=C(N[C@@H]1CCOC[C@@H]1C(=O)NO)c1ccc(Cc2c3c(nc4ccccc24)OCC3)cc1,0.0
Cc1ccc2c(c1)O[C@H](c1ccccc1)CC2=O,0.0
Nc1ncnc2c1nc(Sc1cc3c(cc1Br)OCO3)n2CCCCc1cn(CCCO)nn1,0.0
O=C(Nc1ccc2[nH]nc(-c3cc4ccccc4s3)c2c1)[C@@H]1CCOC1,0.0
CCCN(CCc1ccccc1)C(=O)[C@@H]1OC(C(=O)[O-])=C[C@H]([NH3+])[C@H]1NC(=O)C1CC1,0.0
COc1ccc(C2=[NH+][C@H](C)C(C(=O)Nc3ccc4[nH]ncc4c3)=C(C)N2)cc1,0.0
CN(Cc1ccc(S(=O)(=O)N2CC[NH2+]CC2)cc1)c1ccc2c3c(cccc13)C(=O)N2,0.0
COC(=O)Cn1cc(-c2cccc(Cl)c2)c(=O)c2c(O)cc(OC)cc21,0.0
Cc1ccc(S(=O)(=O)/N=C(\N)NCCC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])cc1,0.0
O=C(Nc1ccc(Cl)cc1C(=O)[O-])c1cccc(S(=O)(=O)N2CCc3c(cccc3C(=O)[O-])C2)c1,0.0
C/C(=N\OCCOc1ccc(C[C@H]2SC(=O)NC2=O)cc1)c1ccc(-c2ccccc2)cc1,0.0
Cc1ccccc1CCC[C@H]([C@H](C)O)n1cnc2c(N)ncnc21,0.0
O=C([O-])c1ccc(-c2nc(-c3ccc4c(c3)OCO4)c(-c3ccccn3)[nH]2)cc1,0.0
Cc1ccc(-c2cnc3ccccc3n2)cc1Nc1ncc2ccn(-c3ccccn3)c2n1,0.0
Cc1ccc(C(=O)N(CC[NH3+])C[C@H]2CC[C@@H]3[C@H](O2)c2cc(C(F)(F)F)ccc2N[C@H]3c2ccccc2)cc1,0.0
COc1ccc2ccc(S(=O)(=O)N[C@H]3CCN(Cc4cc(C(N)=[NH2+])ccc4O)C3=O)cc2c1,0.0
CCCCCCCCC[N@@H+]1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO,0.0
CNc1cc2c(ccc(=O)n2-c2c(F)cccc2F)c(-c2ccc(F)cc2F)n1,0.0
O=c1cc(-c2ccc3c(c2)ncn3-c2ccccc2)ccn1CCC[NH+]1CCCCC1,0.0
CC(C)(Cc1ccc(-c2ccccc2)cc1)[NH2+]C[C@@H](O)c1ccc(O)c2c1OCC(=O)N2,0.0
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]([NH3+])CC(C)(C)CCc1cccc2ccccc12,0.0
O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1c2c2cccc3c2n1CCCC[NH2+]C3,0.0
O=C1Nc2ccc(-c3cccnc3)cc2/C1=C/c1ccc[nH]1,0.0
COc1ccc2c(c1)c1c3c(c4c5ccccc5n(C)c4c1n2CCC#N)C(=O)NC3=O,0.0
Cc1cc(N)[nH+]c(CCNC(=O)c2ccc(C#N)cc2)c1,0.0
COc1ccc(-c2cnsc2-c2ccc(OC)cc2)cc1,0.0
Oc1ccc([C@H]2Oc3cccc(O)c3[C@H]3CCC[C@H]32)cc1,0.0
O=C(Nc1ccc(O)c(O)c1)c1ccc2ccc(C(=O)[O-])c(O)c2n1,0.0
CC(C)c1onc(-c2ccc(F)cc2)c1-c1ccncc1,0.0
Cn1c(N/N=C(/C=C/c2cccc(Cl)c2)c2ccccc2)nc2ccccc2c1=O,0.0
c1ccc(COCCCOc2ccc([C@H]3[C@H](Cn4cncn4)C[NH2+]C[C@@H]3OCc3ccc4ccccc4c3)cc2)cc1,0.0
O=C(NO)[C@H]1C[C@@]12C[C@@H](c1ccc(OCc3cc(-c4ccccc4)nc4ccccc34)c(F)c1)NC2=O,0.0
C[C@]12CCc3c(ccc4cc(O)ccc34)[C@@H]1CC[C@H]2O,0.0
O=c1[nH]c2cc(O)c(O)cc2c2ccc(O)c(O)c12,0.0
CC(C)C[C@@H](N[P@@](=O)([O-])O[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@@H]1O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-],0.0
Cc1c(CC(=O)[O-])nn(Cc2nc(-c3cccc(F)c3F)no2)c(=O)c1C,0.0
C[C@H](O)[C@@H](CCc1cccc2nc(-c3ccc(Cl)cc3)oc12)n1cnc(C(N)=O)c1,0.0
O=C(NCCCC[NH+]1CCC(=C2c3ccccc3CC(=O)c3sccc32)CC1)c1ccc2ccccc2c1,0.0
Nc1nc(-c2cccc(C[N@H+]3CC[C@H](c4ccccc4)CC3)c2)cc2nc(-c3ccco3)nn12,0.0
c1ccc(-c2cc3n(c2-c2ccccc2)CCC3)cc1,0.0
O=C1CN(Cc2ccc(-c3cccc(N4CCc5ccc(F)cc54)c3)cc2)S(=O)(=O)N1,0.0
CS(=O)(=O)c1cccc(-c2ncnc(N3C[C@H]([NH3+])[C@@H](c4cc(F)c(F)cc4F)CC3=O)n2)c1,0.0
COc1ccccc1COCCCOc1ccc(C2=C(C(=O)N(C)CCc3ccccc3)[C@H]3CN(C(C)=O)C[C@@H](C2)N3)cc1,0.0
NC(=[NH2+])c1cccc(Cn2c(C(=O)NCc3cc(Cl)cc(Cl)c3)cc3c(O)cccc32)c1,0.0
Nc1ccc2[nH]c(-c3cc(CC(=O)[O-])cc(-c4cccc([N+](=O)[O-])c4)c3O)cc2[nH+]1,0.0
c1ccc(Cc2ccc(OC[C@@H]3C[NH2+]CCN3)cc2)cc1,0.0
COc1ccc(N2Cc3cnc(Nc4ccc(F)cc4)nc3N([C@H]3CC[C@@H](O)C3)C2=O)cc1,0.0
N#Cc1ccc(Oc2ccccc2-c2ccccc2)cc1C(F)(F)F,0.0
O=C([O-])c1ccc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2F)=NC3)cc1,0.0
O=C([O-])[C@H](Cc1ccc2ccccc2c1)NC(=O)N(Cc1ccc2c(c1)Cc1ccccc1-2)C[C@H](O)C(=O)[O-],0.0
COc1ccc(NCc2ccc(C(=O)Nc3cc(-c4cccs4)ccc3O)cc2)cc1OC,0.0
CC[C@H](Cc1ccc(OCc2ccccc2)c(CNC(=O)c2ccc(C(F)(F)F)cc2)c1)C(=O)[O-],0.0
Cc1cn(-c2cc(NC(=O)c3ccc(C)c(/C=C/n4cnc5c(N)ncnc54)c3)cc(C(F)(F)F)c2)cn1,0.0
O=C(NO)[C@H]1[C@@H](O)[C@H](O)[C@H](O)CN1S(=O)(=O)c1ccc(-c2ccccc2)cc1,0.0
Nc1nc(N)c2c(/C=C/c3ccccc3)cccc2[nH+]1,0.0
O=C([O-])Cc1cc(=O)oc2c1ccc1ccccc12,0.0
O=C(NO)c1ccc(-c2cccc3ccccc23)cc1,0.0
COc1cccc(-c2cccc(CC[C@]3(C)CC(=O)N(C)C(N)=[NH+]3)c2)c1,0.0
O=C1NC(=O)c2cccc(NC(=O)C3CC3)c2C1=O,0.0
NC(=[NH2+])c1ccc2oc(C(=O)N3CCN(C(=O)N4CCN(C(=O)c5cc6cc(C(N)=[NH2+])ccc6o5)CC4)CC3)cc2c1,0.0
Nc1ncnc2nc(-c3ccc(C[N@H+]4CC[C@H](n5cnc6c(N)ncnc65)CC4)cc3)c(-c3ccccc3)cc12,0.0
O=[N+]([O-])c1cc(O)c([O-])c([N+](=O)[O-])c1,0.0
Cc1ccc2c(-c3nnc(SCCC[N@@H+]4CCc5ccc(-c6cc(C)nn6C)cc5CC4)n3C)cccc2n1,0.0
Oc1ccc(CC2=Cc3ccc(O)c(O)c3OC2)cc1O,0.0
CCNC(=O)N1N=C(c2cc(F)ccc2F)C[C@@]1(CCCC[NH2+]Cc1ccccc1)c1ccccc1,0.0
O=C(Nc1ccccc1)c1c(Nc2ccccc2)[nH]c(=O)[nH]c1=O,0.0
N/C(=N\c1cccc(C[NH3+])c1)c1ccccn1,0.0
COc1ccc2c(c1)c(CC(=O)Nc1ccc(-c3ccccc3)cc1)c(C)n2C(=O)c1ccc(Cl)cc1,0.0
O=C([O-])[C@@H](Cc1ccccc1)Oc1ccc(-c2ccc(-c3c(Cc4ccccc4)oc4ccccc34)cc2)cc1C1CCCC1,0.0
Nc1ncnc2c1ncn2Cc1cc(OCC2CCCCC2)cc(O)c1O,0.0
C[C@H]([NH2+][C@@H](CCc1ccccc1)C(=O)[O-])C(=O)N1C[C@@H](NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)C[C@H]1C(=O)[O-],0.0
CC1=C(C(=O)[O-])[C@@H](c2ccc(OCCCOc3cccc4[nH]c5ccccc5c34)cc2)NC(=O)N1,0.0
O=C([O-])Cc1coc2cc(OCc3cc(-c4ccc(C(F)(F)F)cc4)on3)ccc12,0.0
Oc1cc(O)c(-c2noc3ccc(NCCN4CCOCC4)cc23)cc1Cl,0.0
CCNC(=O)N1CC[C@@H](Nc2ncc(Cl)c(-c3c[nH]c4ccccc34)n2)C1,0.0
O=C1NC(=O)c2c1c(-c1ccccc1)cc1sc3ccc(O)cc3c21,0.0
O=C1NCCc2c(-c3cccc4ccccc34)[nH]c3cccc1c23,0.0
O=C(c1cc2cc(O)ccc2[nH]1)c1cc2cc(O)ccc2[nH]1,0.0
O=C1c2ccccc2-c2nc(-c3cccc([N+](=O)[O-])c3)nnc21,0.0
COc1ccc(Cc2cc3cc(OC)ccc3cc2-c2cccnc2)cc1,0.0
O=C(CCc1ccc2nc(-c3ccc(Cl)s3)[nH]c2c1)Nc1ccc(-n2ccccc2=O)c(F)c1,0.0
COc1ccc(-c2c(C)n[nH]c2-c2cc(Br)c(O)cc2O)cc1,0.0
CCS(=O)(=O)c1cc(-c2cc(C(=O)Nc3cccc(OC4CCCC4)c3)cc3ccc(C(N)=[NH2+])cc23)co1,0.0
NS(=O)(=O)c1ccccc1C(=O)[O-],0.0
Cc1nc(S(=O)(=O)Cc2ccccc2)nc(-c2ccc(O)cc2O)c1C(=O)Nc1cccc([N+](=O)[O-])c1,0.0
Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c2c1c(=O)[nH]c1ccc([N+](=O)[O-])cc12,0.0
Cc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc(C(=O)N(CCC(=O)[O-])C(=O)[O-])cc1,0.0
O=C(/C=C/c1ccc2c(c1)C(=O)N([C@H](COC(=O)c1ccccc1)c1ccccc1)C2=O)NO,0.0
C[C@@H]1c2ccc3c4ccccc4n(C)c3c2CC[N@@H+]1Cc1cnc(N)nc1N,0.0
CNC(=O)c1ccc(-c2ccc3nnc(Cc4ccc(O)cc4)n3n2)cc1Cl,0.0
Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C,0.0
COc1ccc(Cl)c(Nc2nc(-n3c[nH+]c4ccncc43)nc3c2cc(C(=O)N2CCN(C)CC2)n3C)c1,0.0
Cc1ccc(OC(=O)N(CC(=O)[O-])Cc2cccc(OCc3sc(-c4ccc(Cl)cc4)nc3C)c2)cc1,0.0
CCC(=O)c1cccc(Nc2ccc3c(c2)/C(=C/Nc2ccc(N4CC[NH+](C)CC4)cc2)C(=O)NC3=O)c1,0.0
[NH3+][C@H](Cn1c(=O)c(=O)[nH]c2ccccc21)C(=O)[O-],0.0
CC(C)c1nc2sc(-c3ccc(S(C)(=O)=O)cc3)c(-c3ccccc3)n2n1,0.0
O=C(c1cc2ccc(O)cc2o1)N1Cc2c([nH]c3ccccc3c2=O)[C@H]1c1ccc2c(c1)CCO2,0.0
Cc1ccc(-c2nn3c(N)nc4ccc(Cl)cc4n3c2=O)cc1,0.0
Cc1ncc2n1C(=O)N(C1CCN(C(=O)[C@H](O)CS(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC1)C2,0.0
NC(=O)c1cccc(Nc2nccc(-c3[nH]c(C4CC4)[nH+]c3-c3cccc(NC(=O)Cc4ccc(Cl)cc4)c3)n2)c1,0.0
c1nc2c(NC3CCCCC3)nc(Nc3ccc(N4CCOCC4)cc3)nc2[nH]1,0.0
O=S(=O)([N-]c1ccc(O)c(-c2c(O)ccc3ccccc23)c1)c1cccs1,0.0
Nc1ccc2c(-c3ccncc3)c(-c3cccc(Cl)c3)[nH]c2n1,0.0
COC(=O)c1cccc(-c2ccc(NCc3cncn3Cc3ccc([N+](=O)[O-])cc3)cc2-c2ccccc2)c1,0.0
CCCCn1c(=O)[nH]c2cc(-c3cc(C(=O)Nc4cccc(N5CCOCC5)c4)ccc3C)ccc2c1=O,0.0
Nc1nc(=O)c2[nH]cc(Cc3ccccn3)c2[nH]1,0.0
O=C(O[C@H](CCCc1ccccc1)Cc1ccccc1)[C@@H]1CCCCN1S(=O)(=O)Cc1ccccc1,0.0
O=C(N[C@@H]1[C@@H]2C[C@@H]3C[C@H]1C[C@@](C(=O)[O-])(C3)C2)C1(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)CCCC1,0.0
CC(C)(C[C@](O)(CC1CCCCC1)C(=O)Nc1ccc2c(c1)COC2=O)c1ccccc1,0.0
CC[C@H]([NH3+])C(=O)N[C@@H]1C(=O)N2[C@@H](CC[C@@H]1CC[NH2+]Cc1ccccc1)CC[C@H]2C(=O)NC(c1ccccc1)c1ccccc1,0.0
O=c1[nH]c2cc(CN3CCC(c4ccccc4)CC3)c([N+](=O)[O-])cc2[nH]c1=O,0.0
CS(=O)(=O)c1ccc(-c2cc(-c3ccccc3)oc(=O)c2-c2cccnc2)cc1,0.0
NC1=NC(=O)[C@@H]2N=C[C@H](Cc3ccccc3)[C@H]2N1,0.0
COC(=O)C(Cc1ccc(OCCN2CCC(C)(C)c3cc(C(=O)c4ccccc4)ccc32)cc1)C(=O)OC,0.0
c1cc(-c2cnc(N3CCCC3)c(N3CCC[NH2+]CC3)n2)c2cc[nH]c2n1,0.0
C[C@H](C(N)=O)[N@@H+]1CCc2cc(OCc3cccc(F)c3)ccc2C1,0.0
CCCCNC(=O)N1Cc2n[nH]c(NC(=O)[C@@H](C)c3ccc4ccccc4c3)c2C1,0.0
CC[C@@H](NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccc(-c2ccccc2C(=O)[O-])cc1)c1ccccc1,0.0
Nc1[nH]c2cc3c(cc2[nH+]1)[C@H](Sc1ccc(S(=O)(=O)c2ccccc2)cc1)CCC3,0.0
O=C(Nc1cc(-c2ccccc2)ccc1N1CC[NH+](CC[C@@H](O)c2ccccc2)CC1)c1cccc2ccccc12,0.0
CCn1c2ccc(C(=O)c3cccs3)cc2c2c3c(c4c(c21)CCc1nn(C)cc1-4)C(=O)NC3,0.0
Nc1nc(-c2ccco2)c2ncn(Cc3cccc4ccccc34)c2n1,0.0
CC[C@H](Cc1ccccc1)c1ccc2c([O-])c([C@H](CC)c3ccccc3)c(=O)oc2c1,0.0
CS(=O)(=O)c1ccc(CN2CCN(c3c[nH]nc3-c3cc(Br)c(O)cc3O)CC2)cc1,0.0
O=C(C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CCC[C@@H](C(=O)[O-])C1)NO,0.0
NC(N)=Nc1ccc(NC(=O)c2cc3cc4ccccc4cc3cc2O)cn1,0.0
NS(=O)(=O)c1ccc(NC(=O)CSc2nnnn2-c2cc(Cl)ccc2Cl)c(Cl)c1,0.0
O=C(O[C@@H](C(=O)[O-])[C@@H](OC(=O)c1cc(O)c(O)c(O)c1)C(=O)[O-])c1cc(O)c(O)c(O)c1,0.0
CN(Cc1ccc(C(=O)[O-])cc1)C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(Oc2ccccc2)cc1,0.0
Cc1cccc(-c2nc(C(C)C)[nH]c2-c2ccnc(-c3ccc(C(=O)NC4CCOCC4)cc3)c2)n1,0.0
COc1ccc2c([O-])c([C@H](c3cccc([N-]S(=O)(=O)c4cccc5cccnc45)c3)C3CC3)c(=O)oc2c1,0.0
COc1ccc(CCc2c(-c3ccccc3)[nH]c3ccc(CC(=O)[O-])cc23)cc1,0.0
CC(=O)Nc1sccc1C(=O)[O-],0.0
O=P([O-])([O-])[C@H]([NH2+]C1CCCCCC1)[P@@](=O)([O-])O,0.0
Nc1nc2c(ncn2[C@@H]2O[C@@H]3CO[P@@](=O)([O-])O[C@H]3[C@H]2OC(=O)c2ccc(C(=O)c3ccccc3)cc2)c(=O)[nH]1,0.0
CCc1ccc(O[C@H](C)CCOc2ccc(CCC(=O)[O-])c(C)c2)c(-c2ccncc2)c1,0.0
CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1cc2ccccc2c(=O)[nH]1,0.0
CCCC[C@H](O[P@](=O)([O-])CCCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCSc1ccccn1,0.0
C[C@@H](C(=O)[O-])c1cc(O)c2c(c1)CCc1ccccc1C2=O,0.0
Nc1cc(Cl)nc(SCc2ccc3ccccc3c2)n1,0.0
O=C(CN1c2ccccc2Sc2ccc(C(F)(F)F)cc21)c1cccc2ccccc12,0.0
Cc1ccc(C2=Nc3c(N)ncnc3NCC2)cc1NC(=O)Nc1cccc(C(F)(F)F)c1,0.0
CC(C)c1ccc(Oc2nc(Oc3cccc(C(N)=[NH2+])c3)c(F)c(N[C@H](C)CCc3ccccc3)c2F)c(C(=O)[O-])c1,0.0
O=C1/C(=C/c2ccc(O)c(O)c2)CSC/C1=C\c1ccc(O)c(O)c1,0.0
O=C([O-])c1ccc(Cn2cnc3ccc(C=C=Cc4ccccc4)cc3c2=O)cc1,0.0
NS(=O)(=O)c1ccc(-c2oc3ccccc3c2-c2ccc(F)cc2)cc1,0.0
C[C@H](Nc1cc(-c2oc([C@]3(O)CC[N@@H+](C)CC3)nc2-c2ccc(F)cc2)ccn1)c1ccccc1,0.0
O=C([C@@H]1C[NH2+][C@H](C(=O)N2CCCC2)C1)N1CCN(c2nc(-c3ccccc3)ns2)CC1,0.0
O=c1oc2c(c(O)c1C(C1CC1)C1CC1)CCCCCC[C@H]2Cc1ccccc1,0.0
COc1ccc(C[N@H+]2CC[C@@](C(=O)NO)(S(=O)(=O)c3ccc(Oc4ccc(Cl)cc4)cc3)CC2)cc1,0.0
CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3cc4ccccc4cn3)cc2)no1,0.0
CN(C)S(=O)(=O)c1ccc2oc3ccc(C(=O)[O-])cc3c(=O)c2c1,0.0
O=C(NCc1ccc(Cc2ccccc2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1,0.0
C[C@H](C(=O)NO)N1CC[C@@](C)(c2ccc(OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)C1=O,0.0
NC(=[NH2+])c1cc2c(/C=C/c3ccc4c(c3)OCO4)cccc2s1,0.0
NC(=[NH2+])c1ccc2[nH]c(-c3cccc(Br)c3[O-])cc2c1,0.0
Cc1cc(C(=O)Nc2cccc3c2Cc2c-3n[nH]c2-c2ccsc2)no1,0.0
Fc1ccc(-c2ncn(C3CC[NH2+]CC3)c2-c2ccnc(Oc3ccc(-c4ccccc4)cc3)n2)cc1,0.0
CC/C(=C\c1cc(O)cc(O)c1)c1ccc2ccccc2c1,0.0
[NH3+]C1(C(=O)NCc2ccc(Cl)cc2)CCN(c2ncnc3nc([O-])[nH]c23)CC1,0.0
O=C(Nc1cc(Oc2cccc3[nH]c(=O)[nH]c23)c(F)c(F)c1F)c1cccc(OC(F)(F)F)c1,0.0
COc1cccc(N2C(=O)N(Cc3ccccc3F)[C@]3(CC[N@@H+](Cc4ccc(-c5ccncc5)cc4)CC3)C2=O)c1,0.0
Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4ccc5c(c4)OC(F)(F)C(F)(F)O5)c3)cc12,0.0
COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@@H](C)c2ccccc2)c2cccc(OCC(=O)[O-])c2)cc1OC,0.0
Nc1nc2c(cnn2CCc2ccc3nc(C(=O)N4CCOCC4)ccc3c2)c2nc(-c3ccco3)nn12,0.0
COc1cc(Nc2nc3cccc(-c4ccc5ncccc5c4)c3o2)cc(OC)c1OC,0.0
O=C(C[C@@H](c1ccccc1)S(=O)(=O)c1ccccc1)NO,0.0
NC(=[NH2+])c1cccc(C[C@@H](NS(=O)(=O)c2cccc(-c3ccc(Cl)cc3)c2)C(=O)N2CCC(CC[NH3+])CC2)c1,0.0
NC(=O)c1cc(C(=O)N2CCC(c3cc(C[NH3+])ccc3F)CC2)cc(-c2nc(-c3cccs3)no2)c1,0.0
Cc1ccc(-c2cccc(C(=O)N3CCCC(C)(C)C3)n2)cc1F,0.0
N#Cc1ccc(Cn2cncc2Cn2ccc3c(C#N)c(-c4cccc5ccccc45)ccc32)cc1,0.0
C[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl,0.0
C[C@@H]1CCN(C(=O)[C@H](CC(=O)NC[C@@H]2CCCN(C(N)=[NH2+])C2)NS(=O)(=O)c2ccc3ccccc3c2)[C@@H](C(=O)[O-])C1,0.0
COc1cc(Cc2nn([C@H]3CC[C@H](N4CC[NH+](C)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)[C@@H]1C[C@H]1c1ccccc1,0.0
O=c1[nH]c2cc(-n3ccnc3)c([N+](=O)[O-])cc2nc1[O-],0.0
C=C(c1ccc(C(=O)[O-])cc1)c1cc2c(cc1C)C(C)(C)[C@H](C)C2(C)C,0.0
C[C@H](CS)C(=O)N1[C@@H](SCc2cccc3ccccc23)CC[C@H]1C(=O)[O-],0.0
[NH3+][C@H]1CN(c2ccc3nnc(-c4ccc(F)cc4)n3n2)CC[C@@H]1c1cc(F)c(F)cc1F,0.0
NC(=O)c1cccc(-c2ccc([C@H]([NH3+])Cc3cc(F)ccc3F)cc2)c1,0.0
O=C(NCc1cccs1)c1ccc(Nc2nc3ccccc3[nH]c2=O)cc1,0.0
CCn1c(-c2nonc2N)nc2cncc(C(=O)N3CC[C@@H]([NH3+])C3)c21,0.0
CCc1oc2ccccc2c1C(=O)c1cc(C)c(O)c(C)c1,0.0
[NH3+][C@H]1CC(C(=O)N2CCn3c(nnc3C(F)(F)F)C2)=CC[C@@H]1c1cc(F)c(F)c(F)c1,0.0
CC(C)=CCc1c(O)cc2oc3cc(O)c(O)c(CC=C(C)C)c3c(=O)c2c1O,0.0
CC(C)N(Cc1cccc2c1OC(C)(C)C=C2)C(=O)c1ccc(-c2ccccc2)cc1,0.0
OC[C@H]1C[N@@H+](CCCc2ccccc2)C[C@@H](O)[C@@H]1O,0.0
Nc1[nH+]c(N2CCN(Cc3cc4ccccc4nc3Cl)CC2)nc2nc(-c3ccco3)nn12,0.0
C[C@H](Cc1cccc2ccccc12)[NH2+]C[C@H](O)c1cc(O)cc(O)c1,0.0
C[C@]12CCC(=O)C=C1CC[C@H]1[C@H]3CC=C(n4cnc5ccccc54)[C@@]3(C)CC[C@@H]12,0.0
O=C([O-])CNc1cccc(-c2ccccc2-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1,0.0
O=C1CCc2cc(-c3ccc(C(F)(F)F)cc3)ccc2N1,0.0
CC1(C)OCC(=S)Nc2ccc(-c3cc(F)cc(F)c3)cc21,0.0
Cc1cc2ncc(C(=O)N3CCC([C@H]([NH3+])Cc4cc(F)c(F)cc4F)CC3)c(C)n2n1,0.0
C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C,0.0
O=C([O-])[C@H]1[C@H](CN2C(=O)c3ccccc3C2=O)CC[C@@H]1S(=O)(=O)CCc1ccc(-c2ccc(F)cc2)cc1,0.0
O=C1C([O-])=C(Cc2ccc(OCc3ccccc3F)cc2)C(=O)c2ccccc21,0.0
NS(=O)(=O)c1ccc(C(=O)NNC(=O)Nc2ccc(Cc3ccccc3)cc2)cc1,0.0
CC(C)c1ccccc1SC1=C([O-])O[C@](CCCCC(=O)NCc2ccccc2)(c2ccccc2)CC1=O,0.0
COc1c(O)c(Cc2ccccc2)c2oc(-c3ccc(O)c(O)c3)cc(=O)c2c1O,0.0
O=C(CN1Cc2c(cccc2C(F)(F)F)NC1=O)NO,0.0
COc1ccc(-n2nc(C(F)(F)F)cc2C(=O)Cc2ccc(-c3ccccc3C[N@@H+]3CC[C@H](O)C3)cc2)cc1,0.0
O=C(CSc1cc[n+]([O-])cc1)N1CCC(=C2c3ccc(Cl)cc3SCc3cccnc32)CC1,0.0
Fc1ccc(-c2[nH]cc(C3=C[C@@H]4CCC[N@@H+]4CC3)c2-c2ccncc2)cc1,0.0
O=C1C(=O)N(CCc2ccccc2)C(=O)c2ccccc21,0.0
NC(=O)c1nn(CC(F)(F)F)c2c1CCc1cnc(Nc3ccccc3)nc1-2,0.0
Nc1c(CC(=O)[O-])cccc1C(=O)c1ccc(-c2ccccc2)cc1,0.0
O=C(/C=C/c1ccc(-c2cc(CN3CCOCC3)on2)cc1)NO,0.0
Nc1nccc(Nc2ccc3[nH]nc(-c4ccc5ccccc5c4)c3c2)n1,0.0
[NH3+][C@@H](Cc1cc(Br)c(Oc2ccc(O)c(Cc3ccc([O-])nn3)c2)c(Br)c1)C(=O)[O-],0.0
Cc1ccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1,0.0
N/C(=N\c1ccc2nc(N[C@H]3CC[N@H+](CCc4c[nH]cn4)CC3)sc2c1)c1cccs1,0.0
Cc1cccc(C)c1-c1cc(C)c2nc(Nc3cccc(OC[C@H](C)N4CC[NH+](C)CC4)c3)nnc2c1,0.0
Oc1ccc(-c2nc3cc(O)cc(-c4ccccc4)c3o2)cc1,0.0
O=C(NO)c1ccc(CN2c3ccccc3NC(=O)[C@H]2CCc2ccccc2)cc1,0.0
CC(=O)c1ccc(NC(=O)c2c[nH]nc2-c2cc(Cl)c(O)cc2O)cc1,0.0
Cc1ccc(Sc2cccc3[nH]c4nc(N)nc(N)c4c23)cc1,0.0
[NH3+][C@@H](Cn1cc(C(F)(F)F)c(=O)n(Cc2ccsc2C(=O)[O-])c1=O)C(=O)[O-],0.0
Cc1oc(-c2ccc(Cl)cc2)nc1CCOc1cccc(C[C@@H]2C(=O)N(c3ccc(C(C)(C)C)cc3)[C@@H]2C(=O)[O-])c1,0.0
Fc1ccc(-c2ccc3c(c2)CC=C3c2ccncc2)cc1,0.0
CCNC(=O)c1cn2ncnc(Nc3cc(NC(=O)c4cccc(-n5ccnc5)c4)ccc3C)c2c1C,0.0
Cc1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)c(=O)n1CC(=O)NCC1CCN(C(N)=[NH2+])CC1,0.0
O=C([O-])c1sccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1,0.0
CCCc1c(OCCCOc2ccc3c(ccn3CC(=O)[O-])c2)ccc2c(-c3ccccc3)noc12,0.0
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(-c4cnc5ccccc5c4)cc3)C[C@]2(C)[C@H]1C(=O)C1CC1,0.0
C[N@@H+]1CCc2ccc([C@@H]3C[C@@H]3c3ccc4cc(C(N)=[NH2+])ccc4c3)cc2[C@@H]1C1CCCCC1,0.0
COc1ccc(-c2ccc(S(=O)(=O)c3ccccc3[C@@H](C)C(=O)NO)cc2)cc1,0.0
Nc1ncc(-c2cnn(C3CCN(C(=O)c4ccccc4)CC3)c2)cc1-c1nc2ccccc2o1,0.0
O=C(N[C@H](Cc1ccccc1)C(=O)CCC(=O)N1[C@@H](C(=O)[O-])C[C@H]2CCCC[C@H]21)c1ccccc1,0.0
COc1ccc(C2=C(c3ccc4c(c3)oc(=O)n4C)COC2=O)cc1,0.0
O=C(c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F)N1CCN(c2cc3ccccc3c[nH+]2)CC1,0.0
Cc1onc(-c2ccccc2)c1C[NH2+]C[C@H](O)c1ccc([O-])c2[nH]c(=O)sc12,0.0
O=C(N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)OCc1ccccc1,0.0
Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=O)c1c(F)cccc1F,0.0
C=CC[C@]1(C)OC(=S)Nc2ccc(-c3cccc(Cl)c3)cc21,0.0
O=C(NCCCNC(=O)c1ccc(O)c(O)c1)c1ccc(O)c(O)c1,0.0
O=c1oc2cc(O)ccc2c2oc3cc(O)ccc3c12,0.0
COc1ccc2c(c1)CC[C@H]1C[N@H+](CC[C@H]3CC[C@H](NC(=O)c4ccc5ncccc5c4)CC3)CCN21,0.0
c1ccc(Cc2ccc(OCC[N@H+]3CC[C@H](c4nnn[n-]4)CC3)cc2)cc1,0.0
O=c1[nH]cnc2c(C[C@@H]3[NH2+][C@H](CO)[C@H](O)[C@@H]3O)c[nH]c12,0.0
CCCC[C@H](C(=O)NO)C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1,0.0
CN1C(=O)c2nc(Cc3ccc(-c4ccccc4)cc3)[nH]c2N2C1=[NH+][C@@H]1CCC[C@@H]12,0.0
Cc1cccc(C)c1OC(=O)N(c1ccc(-c2ccccc2)cc1)c1ccnc(Nc2ccc(N3CC[NH+](C)CC3)cc2)n1,0.0
O=C1NC(=O)[C@@H](Cc2ccc(N3CCC([NH2+]C[C@H](O)c4ccc(O)c(NS(=O)(=O)c5ccccc5)c4)CC3)cc2)S1,0.0
COc1cc(Cl)nc(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)c1,0.0
CCC1=[NH+]C[C@@H](O)c2ncn([C@H]3C[C@@H](O)[C@@H](CO)O3)c2N1,0.0
O=c1[nH]c(Nc2cccc([C@@H](Cl)C(F)(F)Cl)c2)nc2[nH]cnc12,0.0
Nc1nc2c(c(=O)[nH]1)C[C@@H](CNc1ccc(C(=O)N[C@H](CC[P@@](=O)([O-])O)C(=O)[O-])cc1)CN2,0.0
Cc1c(C)c2ccc(OCc3csc(C(C)C)n3)cc2oc1=O,0.0
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C,0.0
CC[NH+]1CCN(Cc2cc(-c3cnn4c(-c5cccc(NC(=O)c6cccc(C(F)(F)F)c6)c5)ccnc34)co2)CC1,0.0
O=C(NCc1cccnc1)[C@@H]1CCCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C1,0.0
COc1cc2[nH+]ccc(Oc3ccc(NC(=O)NC(=O)c4ccccc4C)cc3)c2cc1OC,0.0
C[C@H](Nc1nccc(-n2cnc3cc(-c4ccnc(N)n4)ccc32)n1)c1ccccc1,0.0
O=C(NCc1ccccc1)c1nc(-c2ccccc2)[nH]c(=O)c1O,0.0
Cc1cc(C[C@H](NS(=O)(=O)c2ccccc2)c2nc3ccccc3[nH]2)ccc1N1CC(=O)NS1(=O)=O,0.0
CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21,0.0
[NH3+][C@H](COc1cncc(-c2ccc3cnccc3c2)c1)c1ccccc1,0.0
Cc1cccc(-c2nc(-c3ccc(S(C)(=O)=O)cc3)sc2-c2ccnc(NC(=O)c3ccccc3)c2)c1,0.0
[NH3+]C[C@H](Cc1cccc(F)c1)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1,0.0
Cc1nc2c(C(F)(F)F)nn(-c3ccc4onc(N)c4c3)c2c(=O)n1-c1ccc(-c2ccccc2C[NH2+]CC2CC2)cc1,0.0
COC(=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)N1Cc2ccccc2C1=O,0.0
Nc1nc(OCCc2c[nH]c3ccccc23)nc2c1ncn2[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O,0.0
O=C(c1ccc(Nc2nccc(-c3cc4ccccc4s3)n2)cc1)N1CCCC1,0.0
Cn1c(NC[C@@H]([NH3+])Cc2ccccc2)nc(-c2ccncc2)c(-c2ccc3ccccc3c2)c1=O,0.0
Nc1nc2c(Cc3ccsc3)c(N)[nH]c2c(=O)[nH]1,0.0
Cn1ccc2cc(Nc3ncc(C(F)(F)F)c(NCc4ccccn4)n3)ccc21,0.0
Cc1cccc(C(=O)Nc2cccc([C@H](C)Nc3cncc(Cl)n3)c2)c1,0.0
COc1cc(Nc2ncc3c(C)nc(-c4cccc(C(=O)c5ccccc5)c4)n3n2)cc(OC)c1OC,0.0
CNC(=O)c1cc(Oc2ccc3c(C(=O)Nc4ccc(Cl)cc4)cccc3c2)ccn1,0.0
CCn1c(=O)c2c(c3cc(-c4cc(/C=C/C(=O)[O-])ccc4OC(F)(F)F)ccc31)CCC2,0.0
NC(=[NH2+])c1ccc(CNC(=O)[C@@H]2CC[C@H]3CC[C@@](O)(Cc4ccccc4)C(=O)N32)cc1,0.0
CC(C)Nc1ccc(-c2cccc(N)c2)c(CC(=O)NCc2ccc(C(N)=[NH2+])cc2)c1F,0.0
O=C([O-])CCCn1c2ccccc2c2ccccc21,0.0
CCCOc1cc(-c2ccc(CCC[NH2+]C[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)[O-],0.0
O=C(Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1)c1cn(-c2ccc(Cl)c(F)c2)cc(-c2ccc(F)cc2)c1=O,0.0
Cc1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1-c1ccc(S(N)(=O)=O)cc1,0.0
O=C([O-])C(=O)CC(=O)c1cccc([C@H](c2cccc(C(=O)/C=C(\[O-])C(=O)[O-])c2)c2ccccc2F)c1,0.0
O=C(/C=C/c1ccc(O)cc1)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,0.0
Nc1c(-c2nc3ncccc3[nH]2)c(=O)[nH]c2cnccc12,0.0
COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@H]2COc2ccc3c(c2)NCCC3)cc1,0.0
C[NH2+][C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCC[NH+]=C(N)N)C(=O)c1nc2ccc3ccccc3c2s1,0.0
COC[C@H](O)COc1ccc(OCc2cccc(C(F)(F)F)c2)cc1C(C)=O,0.0
O=C(/C=C/c1ccccc1)Nc1ccc2nc(SC/C=C/c3ccccc3)n(Cc3ccccc3)c(=O)c2c1,0.0
Oc1ccc2c(Oc3ccc(OCC[NH+]4CCCCC4)cc3)c(-c3cccc(F)c3)ccc2c1,0.0
CCN(CC)c1ccc2cc(C(=O)NC[C@H]3[NH2+][C@H](CO)[C@H](O)[C@@H]3O)c(=O)oc2c1,0.0
O=C(/C=C/c1ccc(C[NH2+]Cc2cc3ccccc3[nH]2)cc1)NO,0.0
c1ccc(-c2noc(C[NH+]3CCCCC3)c2-c2ccnc(NC3CCCCC3)n2)cc1,0.0
CCc1c(C(=O)C(N)=O)c2c(OC/C([O-])=N/S(=O)(=O)c3ccccc3)cc3ccccc3c2n1Cc1ccccc1,0.0
N#Cc1ccc(-c2coc(-c3ccc(Oc4ccc(N5CCCC56C(=O)NC(=O)NC6=O)cn4)cc3)n2)cc1,0.0
C[C@H](CO)/[NH+]=C(\N)c1c(Nc2ccc(C(=O)c3ccccc3)cc2)s[nH]c1=O,0.0
CC(C)(C)c1[nH]c2ccccc2c1[C@H]1CCC[N@@H+](Cc2ccc(/C=C/C(=O)NO)cc2F)C1,0.0
COc1ccc(S(=O)(=O)N(C)c2c(CN3CC[NH+](C)CC3)cc(-c3ccc4ccccc4c3)cc2C(=O)NO)cc1,0.0
O=C(N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC(O)CC1)c1cc2cc(Cl)ccc2[nH]1,0.0
O=C1Nc2ccccc2/C1=C1/Nc2ccccc2/C1=N\O,0.0
O=C1Cc2ccc3c(c2O1)CCc1ccccc1C3=O,0.0
O=P([O-])([O-])[C@H](CNc1cccc[nH+]1)[P@@](=O)([O-])O,0.0
c1ccc(-c2ccc(Oc3ccc(OC[C@H]4CCCC[NH2+]4)cc3)cc2)cc1,0.0
NS(=O)(=O)c1ccc(-c2cc(F)c(F)cc2-c2ccc3c(c2)OCCO3)cc1,0.0
O=C([O-])CCCCc1cc(O)c(O)c([N+](=O)[O-])c1,0.0
Cc1cccc(-c2n[nH]cc2-c2ccc(O)cc2)n1,0.0
CC1(C)OC(=O)C(Oc2ccc3sccc3c2)=C1c1ccc(S(C)(=O)=O)cc1,0.0
CS(=O)(=O)c1ccc(-c2cnc(Cc3ccccc3O)nc2-c2ccc(F)cc2)cc1,0.0
Cc1ccoc1C(=O)Nc1ccccc1C(=O)[O-],0.0
COC(=O)c1sccc1S(=O)(=O)[N-]c1ccc(Cl)c(Cl)c1,0.0
Nc1nc(N)c2c(CSc3ccc4ccccc4c3)coc2[nH+]1,0.0
C[C@@H]1CC(C)(C)Nc2cc3c(cc21)-c1ccccc1C3,0.0
CC1=CC(C)(C)Nc2cc3c(cc21)-c1c(F)cccc1C3=O,0.0
C[C@]12CC[C@@H]3c4ccc(OS(N)(=O)=O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2OS(N)(=O)=O,0.0
Nc1[nH][nH+]c2cccc(-c3ccc(NC(=O)Nc4ccsc4)cc3)c12,0.0
C[C@H](Cc1ccc(-c2ccc(C(=O)[O-])cc2)cc1)[NH2+]C[C@H](O)c1cccnc1,0.0
CCO[C@@H](Cc1ccc(OCCc2nc(-c3ccc(-c4ccccc4)cc3)oc2C)c2ccsc12)C(=O)[O-],0.0
CCN(Cc1cc(=O)oc2cc(Cl)ccc12)[C@@H]1C[C@@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21,0.0
[NH3+]Cc1cccc(NC(=O)CN2CCCC[C@@H](NC(=O)CC(c3ccccc3)c3ccccc3)C2=O)c1,0.0
Fc1ccc2nc([C@H]3CC[N@H+](Cc4ccc(-c5ncc(-c6nnn[n-]6)cc5-c5ccccc5)cc4)CC3)[nH]c2c1,0.0
CC[NH2+]Cc1cncc(-c2cnc3[nH]nc(-c4nc5ccc(N6CC[NH+](C)CC6)cc5[nH]4)c3c2)c1,0.0
O=S(=O)(c1ccc2ccccc2c1)c1ccc([O-])nn1,0.0
O=C1c2ccccc2-c2nnc(-c3ccc(C(F)(F)F)cc3)cc21,0.0
COc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3)cc2)cc1,0.0
O=C1NC(=O)c2c1c1c(ccc3cc[nH]c31)c1[nH]c3cc(O)ccc3c21,0.0
CC(C)CCN1C(=O)[C@H](CC(=O)NO)Cc2ccccc21,0.0
Nc1nc(N)c2cc(CNc3ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])c4c3CCCC4)cnc2n1,0.0
Nc1noc2ccc(-n3nnnc3C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3F)cc12,0.0
Cc1cc([C@H]2CC[N@H+](CCCF)CC2)cc2[nH]c(-c3c(NCCn4cc(Cl)cn4)cc[nH]c3=O)nc12,0.0
N#Cc1ccc2cc1Oc1cccc(c1)[C@@H](c1cccc(Cl)c1)N1CC[C@@H](NCc3c[nH+]cn3C2)C1=O,0.0
O=P([O-])([O-])[C@](O)([C@H]1CCc2ccncc21)[P@@](=O)([O-])O,0.0
O=P([O-])([O-])[C@H](Nc1ccc(Cl)cn1)[P@@](=O)([O-])O,0.0
N[C@H](Cc1c(-c2nnn(Cc3ccccc3)n2)o[nH]c1=O)C(=O)[O-],0.0
CCN1c2ncc(CSc3nc4ccccc4o3)cc2C(=O)Nc2c(C)cc(Cl)nc21,0.0
Cc1cc(C)c2c(c1)-c1ccccc1/C2=C\[C@@H]1C[C@@H](O)CC(=O)O1,0.0
CC(C)(C)c1ccc(C[C@@H]2CCCc3c2nn(-c2ccc(F)cc2)c3/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])cc1,0.0
CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])nn(-c2ccc(F)cc2)c1C(=O)NCc1ccccc1,0.0
O=C(/C=C/c1ccc(Sc2cccc(OCc3c[nH]cn3)c2)c(C(F)(F)F)c1C(F)(F)F)N1CCOCC1,0.0
Cc1cc(Nc2nc3cccc(-c4cc(F)c(CN5CCOCC5)c(F)c4)c3o2)ccc1C(=O)N(C)C,0.0
CCc1ccc(-c2c(-c3cnc(C)[nH]3)c(=O)[nH]c3ccc(Cl)cc23)cc1,0.0
Cc1cccc(NC(=O)Nc2ccc(-c3c(CN4CC[NH+](C)CC4)sc4ncnc(N)c34)cc2)c1,0.0
CC(=O)N1CCN(S(=O)(=O)c2ccc(OCc3cncc4ccccc34)cc2)[C@@H](C(=O)NO)[C@@H]1C,0.0
NC(=O)Cc1c(C2CC2)n(Cc2ccccc2)c2ccc(O)cc12,0.0
FC(F)(F)c1cccc(-c2ccc(CN3CCc4c([nH]c5ccccc45)[C@H]3c3ccc4c(c3)OCO4)o2)c1,0.0
Fc1ccc(-c2[nH]c(-c3ccc(-n4ccnc4)cc3)c3c2CCCC3)cc1,0.0
COc1ccc(-c2noc(CC(=O)[O-])c2-c2ccc(OC)cc2)cc1,0.0
COc1ccc2c(c1)NC(=O)Cc1cnc(Nc3ccc(OC)c(O)c3)nc1-2,0.0
CC[C@@H](C(=O)[O-])[C@@H]1CCc2cc(OCCc3nc(-c4cc5ccccc5s4)oc3C)ccc21,0.0
Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)cn2[C@H]1CC[C@H]([NH+]2CCCCC2)CC1,0.0
Cc1ccc(C[N@@H+]2CCc3cc(NC(=O)c4ccc5cc(C(N)=[NH2+])ccc5c4)ccc3C2)cc1,0.0
NC(N)=Nc1ncc(Cl)c2ccc(-c3ccc4c(c3)OCO4)cc12,0.0
NC(=[NH2+])c1ccc2cc(/C=C/c3ccccc3)cc(-c3ccoc3)c2c1,0.0
Nc1ncc(-c2cccc(S(N)(=O)=O)c2)c2occ(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12,0.0
Cc1c(C(=O)c2ccc(Cl)cc2)c2ccc(OC(F)(F)F)cc2n1Cc1cccc(OC2(C(=O)[O-])CCC2)c1,0.0
NC(=O)Nc1ccc2c(c1)/C(=C/c1cc(-c3cccc(C(=O)NCC[NH+]4CCCCC4)c3)c[nH]1)C(=O)N2,0.0
NC(=[NH2+])c1ccc(CC(=O)CN2C(=O)[C@@H](NS(=O)(=O)c3ccc4c(c3)CCO4)CCc3ccccc32)cc1,0.0
CC(C)(Cc1ccc(N=[N+]=[N-])cc1)[NH2+]C[C@@H](O)COc1ccc(I)c2[nH]c3ccccc3c12,0.0
CC(C)[N@@H+]1CCC[C@H](Cn2c(CN(C)[C@H]3CCCc4cccnc43)nc3ccccc32)C1,0.0
[NH3+][C@@H](CS)C(=O)Nc1ccc(NC(=O)Cc2cccc3ccccc23)c(C(=O)c2ccccc2)c1,0.0
CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)[C@@H](OCCc2ccccc2)[C@@H]2CC[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]21,0.0
CCOc1cccc(-c2ccc(NC(=O)c3ccc(Cl)cc3Cl)c(C(=O)[O-])c2)c1,0.0
N#Cc1cc(N2CC[NH+](CC[C@H]3CC[C@H](NS(=O)(=O)c4ccc5c(c4)CCC(=O)N5)CC3)CC2)cc(C(F)(F)F)c1,0.0
CN(C)C(=O)COc1ccc2c3ccccc3n(Cc3ccc4ccc(C(N)=[NH2+])cc4c3)c2c1,0.0
Nc1nc(N)c2cc(NCc3cccc4ccccc34)cnc2[nH+]1,0.0
Cc1ccccc1-c1cn(-c2ccc(S(N)(=O)=O)cc2)nn1,0.0
Cc1ccc(C2CCCCC2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1,0.0
COc1cc(C(=O)N2CCC(N3C(=O)Cc4ccccc43)CC2)ccc1C,0.0
Cn1c([O-])c(C(=O)Nc2ccc(Cl)cc2)c2ccccc2c1=O,0.0
CS(=O)(=O)c1ccc(-c2cc(C(=O)[O-])c3ccc4ccccc4c3n2)cc1,0.0
CCC[NH2+]C[C@@H](O)COc1ccc2c(=O)cc(-c3ccccc3)oc2c1,0.0
O=C([O-])CN1C(=O)O[C@@H](c2ccccc2)C1=O,0.0
CS(=O)(=O)c1ccc(C2=C(c3cncc(Cl)c3)C(=O)CC2)cc1,0.0
C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12,0.0
O=C(C[C@H]1Sc2ccccc2NC1=O)NOCc1ccccc1,0.0
Nc1nc2nc(NCc3ccccc3)[nH]c2c(=O)[nH]1,0.0
c1cc2nc(c1)CCNCC[NH+](Cc1ccc(C[NH+]3CCNCCc4cccc(n4)CCNCC3)cc1)CCNCC2,0.0
O=C1c2ccccc2C2=NNC3=CC=C[C@@H]1[C@H]32,0.0
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2C)cc1-c1ccc2nc(N[C@H]3CC[N@H+](C)CC3)ncc2c1,0.0
CNc1ncc2cc(-c3c(C)ccc4c(Nc5cc(C(C)(C)C)nn5C)[nH+]ccc34)ccc2n1,0.0
Cc1cc(SCc2cc(-c3ccc(C(F)(F)F)cc3)cc(-c3ccc(C(F)(F)F)cc3)c2)ccc1OCC(=O)[O-],0.0
NS(=O)(=O)c1cc(N2CCN(C[C@H](O)COc3cccc4ccccc34)CC2)ccc1Cl,0.0
NC(=[NH2+])c1ccc2nc(-c3cc(Cl)cc(-c4cccc(N)c4)c3O)[nH]c2c1,0.0
C#CCN(Cc1ccc2nc(C[N@@H+]3CC[C@@H](O)C3)[nH]c(=O)c2c1)c1ccc(C(=O)NCc2cccc([N+](=O)[O-])c2)cc1,0.0
NC(=[NH2+])c1ccc2[nH]cc([C@@H](CCc3ccccc3)C(=O)Nc3ccc(-n4cnc5ccccc54)cc3F)c2c1,0.0
O=C(NC[C@H]1CC[C@H](C(=O)NO)CC1)c1ccc(-c2ccccc2)cc1,0.0
CCn1cc(-c2ccnc3[nH]ccc23)c(-c2ccc(NC(=O)Nc3ccccc3)cc2)n1,0.0
NS(=O)(=O)c1cccc2c1c([N+](=O)[O-])cc1[nH]c(=O)c(=O)[nH]c12,0.0
CN1N=C(N)c2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c3ncnc1c23,0.0
O=C1NC(=O)c2c1c1c3ccccc3n3c1c1c2c2ccccc2n1[C@@H]1O[C@H]3C[C@@H]1CO,0.0
O=c1c2cc(Cc3ccccc3)ccc2oc2ccc(O)c(O)c12,0.0
CCCNc1nccc(-c2c(-c3ccc(F)cc3)[nH+]c3n2[C@H](Cc2ccc(OC)cc2)CC3)n1,0.0
NC1=NC(=O)c2c1c1c3ccccc3n3c1c1c2c2ccccc2n1COC3,0.0
O=C(NCc1ccn(-c2cc3[nH]c(=O)c(=O)[nH]c3cc2C(F)(F)F)c1)Nc1ccc(C(=O)[O-])cc1,0.0
O=C(/C=C/c1ccc(O)c(O)c1)c1ccc(O)cc1O,0.0
Cc1ccc(C(=O)N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1,0.0
NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H]1CC[C@H]2CN(C(=O)CCc3ccc4ccccc4c3)CC(=O)N21)C(=O)c1nccs1,0.0
Cc1ccc(CSC[C@@H](NC(=O)[C@@H](CS)Cc2ccc3ccccc3c2)C(=O)[O-])cc1,0.0
O=C(NC(=S)NCC[C@H]1CC[N@H+](Cc2ccccc2)CC1)c1ccc2c(=O)c3ccccc3oc2c1,0.0
Cc1cnc(NC(=O)c2c([O-])n3c4c(cc(F)cc24)Cc2cc(F)ccc2-3)s1,0.0
Cc1cc(N2CCOCC2)cc2nc(-c3c(NC[C@@H](O)c4ccccc4Cl)cc[nH]c3=O)[nH]c12,0.0
CN(C(=O)[C@H](Cc1ccc([C@H]([NH3+])NN)cc1)NS(=O)(=O)c1ccc2cc3ccccc3cc2c1)C1CCCC1,0.0
O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)OC[C@@H](Cc1ccccc1)N3CC(F)(F)F,0.0
COc1ccc(C2=C[C-](C3=NC4=NC=NC(=O)C4=C3)C=CN2)cc1,0.0
C[C@H](NC(=O)[C@@H](CS)Cc1ccccc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-],0.0
c1ccc2c(c1)CC(Oc1nc(Nc3ccncc3)nc(N3CC[NH2+]CC3)n1)C2,0.0
Oc1ccc2c(ccc3c4ccccc4ccc23)c1O,0.0
[NH3+][C@H]1CC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)C[C@@H](c2cccnc2)c2ccc3c(c2)OCO3)CC1,0.0
CC(C)(Cc1cccc(CC(=O)NCc2ccccc2)c1)[NH2+]C[C@H](O)c1ccc(O)c(CO)c1,0.0
CN(c1cc2cc(n1)NCCCCc1cccc(c1)C[C@@](C)(N)C(=O)OC2)S(C)(=O)=O,0.0
CCc1[nH+]c(N)nc(N)c1-c1ccc2c(c1)N(CCCCC(=O)OC)CCC2,0.0
CCc1c(Sc2cccc3ccccc23)[nH]c2[nH+]c(N)nc(N)c12,0.0
Cc1ccc(C(=O)Nc2ccc(O[C@H]3CC[N@H+](C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2ccccn12,0.0
O=C1Nc2cc3c(O)cccc3c3c4c(cc1c23)OCO4,0.0
CCc1nnc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)s1,0.0
O=C(/C=C/c1ccc(/C=N/OCc2ccc([N+](=O)[O-])cc2)cc1)NO,0.0
COc1cc2c(cc1OC)CC(C[C@H]1CC[N@H+](CCNc3c4c([nH+]c5cc(Cl)ccc35)CCCC4)CC1)C2,0.0
O=C([O-])Cc1nn(Cc2nc3cc(F)cc(F)c3s2)c(=O)c2c1CCCC2,0.0
C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@@]21C,0.0
Nc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1,0.0
Cn1cc(C2=C(c3cn([C@@H]4CC[N@@H+](Cc5ccccc5)C4)c4ccccc34)C(=O)NC2=O)c2ccccc21,0.0
FC(F)(F)c1cccc(-c2n[nH]cc2-c2ccnc3ccccc23)c1,0.0
CC(C)(C(=O)[O-])c1cc(-c2cccc(CNC(=O)[C@@H](O)Cc3ccccc3)c2)c(O)c(-c2cc3c(N)[nH+]ccc3[nH]2)c1,0.0
Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O,0.0
COc1cccc(-c2cccc3c(-c4nc5ccc(F)cc5c(C(=O)[O-])c4C)cn(C)c23)c1,0.0
NC(=[NH2+])c1ccc(CNC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)cc1,0.0
O=C(C=C1c2ccccc2-c2ccccc21)NCCCCCC(=O)NO,0.0
c1ccc(-c2nn(-c3ccccc3)c3c2CCCCC3)cc1,0.0
CCS(=O)(=O)[N-]c1ccc2c(c1)/C(=C(/Nc1ccc(C[NH+]3CCCCC3)cc1)c1ccccc1)C(=O)N2,0.0
C[C@H](Oc1cc(-c2cnc3ccccn23)sc1C(N)=O)c1ccc(C[NH2+]C2CC2)cc1Cl,0.0
O=C(c1ccc(-c2oc3ncnc(NCCN4CC[NH2+]CC4)c3c2-c2ccccc2)cc1)N1CCCCC1,0.0
Cc1oc(C)c(S(=O)(=O)Nc2cccs2)c1C(=O)[O-],0.0
C/C(=C/C(=O)[O-])c1cc2c(o1)CCC[C@@H]2c1ccc2c(c1)C(C)(C)CCC2(C)C,0.0
Cc1cc(C[C@H]([NH3+])C(=O)[O-])cc(C)c1Cc1ccc(O)c(C(C)C)c1,0.0
Oc1ccc(CN(Cc2ccc(O)c(O)c2)c2ccc3c(c2)OCO3)cc1O,0.0
O=C(N[C@H]1C[NH2+]CCC[C@H]1OC(=O)c1cc(O)c([C@H]2OC(=O)c3cccc(O)c32)c(O)c1)c1ccc(O)cc1,0.0
CN(c1ccc2nc(-c3n[nH]c4ccccc34)[nH]c2c1)[C@H]1CC[N@H+](C)CC1,0.0
O=C(Nc1nccs1)c1nc(Sc2ncn[nH]2)ccc1Sc1ccc(F)cc1,0.0