SMILES,pgh2
NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(c2)CCC3)cc1,1.0
NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cc3ccccc3o2)cc1,1.0
NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(c2)CCO3)cc1,1.0
NS(=O)(=O)c1ccc(C2=C(c3ccc(F)cc3)CC3(CCC3)C2)cc1,1.0
NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2csc3ccccc23)cc1,1.0
Cc1ccc(-c2nc(C(F)(F)F)cn2-c2ccc(S(N)(=O)=O)cc2)cc1Cl,1.0
NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccn(C(F)F)c(=O)c2)cc1,1.0
NS(=O)(=O)c1ccc(-n2nc(C(F)F)cc2-c2ccc3c(c2)OCO3)cc1,1.0
NS(=O)(=O)c1ccc(-c2nc(NCC3CCCCC3)cc(C(F)(F)F)n2)cc1,1.0
Cc1cc(-c2cc(F)c(F)cc2-c2ccc(S(N)(=O)=O)cc2)ccc1F,1.0
Cc1cccc(-c2nc(C(F)(F)F)cn2-c2ccc(S(N)(=O)=O)cc2)n1,1.0
CS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2cccc3c2OCO3)cc1,1.0
CS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)nc(OC3CCCCCCC3)n2)cc1,1.0
NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(Cl)cc2)cc1,1.0
Cc1ccc(-c2nc(C(F)(F)F)cn2-c2ccc(S(N)(=O)=O)cc2)cn1,1.0
NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2C2=CCCCC2)cc1,1.0
NS(=O)(=O)c1ccc(-c2cc3c(cc2Cc2ccccc2)OCO3)cc1,1.0
Cc1cccc(Oc2nc(-c3ccc(S(C)(=O)=O)cc3)cc(C(F)(F)F)n2)c1,1.0
CS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)nc(OC3CCCCCC3)n2)cc1,1.0
CS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2cnc3ccccc3c2)cc1,1.0
CS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)nc(NCc3ccccc3)n2)cc1,1.0
CCn1nc(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccc(F)cc2)c1C(F)(F)F,1.0
COc1ccc(-c2c(-c3ccc(S(N)(=O)=O)cc3)oc3ccccc23)cc1F,1.0
Cc1ccc(-c2cc(F)c(F)cc2-c2ccc(S(N)(=O)=O)cc2)cn1,1.0
NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(Br)s2)cc1,1.0
NS(=O)(=O)c1ccc(C2=C(c3ccc4c(c3)OCO4)CCC2)cc1,1.0
Cc1nc(-c2ccc(F)cc2)c(-c2ccc(S(N)(=O)=O)cc2)o1,1.0
NS(=O)(=O)c1ccc(C2=C(c3ccc(Cl)c(Cl)c3)CC3(CC3)C2)cc1,1.0
CS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)nc(NCC3CCCCC3)n2)cc1,1.0
CS(=O)(=O)c1ccc(-c2cc3c(cc2C=C2CCCCCC2)OCO3)cc1,1.0
CC1(C)OC(=O)C(Oc2cccc3cnccc23)=C1c1ccc(S(C)(=O)=O)cc1,1.0
NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(c2)CCCS3)cc1,1.0
CS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)cnc2Oc2ccccc2)cc1,1.0
CS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)nc(OCC3CCCCC3)n2)cc1,1.0
NS(=O)(=O)c1ccc(-c2nc(NCc3ccco3)cc(C(F)(F)F)n2)cc1,1.0
CS(=O)(=O)c1ccc(C2=CC3(C=C2c2ccc(F)cc2)CC3)cc1,1.0
CS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)cnc2OCC2(O)CCCC2)cc1,1.0
NS(=O)(=O)c1ccc(-c2ccc(F)c(F)c2-c2ccc3c(c2)OCO3)cc1,1.0
CS(=O)(=O)c1ccc(-c2nc(SCc3ccccc3)cc(C(F)(F)F)n2)cc1,1.0
Cc1nc(C2CCCCCC2)c(-c2ccc(S(C)(=O)=O)cc2)o1,1.0
NS(=O)(=O)c1ccc(-c2nc3ccccc3n2-c2ccc(Cl)cc2)cc1,1.0
CS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)nc(OC3CCCCC3)n2)cc1,1.0
CS(=O)(=O)c1ccc(-c2cc3c(cc2C=C2CCCCC2)OCO3)cc1,1.0
CS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)nc(NC3CCCCC3)n2)cc1,1.0
COc1ccc(-c2c(-c3ccc(S(N)(=O)=O)cc3)[nH]c3ccccc23)cc1,1.0
Cc1ccc(-c2ncc(Cl)cc2-c2ccc(S(N)(=O)=O)cc2)cn1,1.0
CS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)cnc2C(=O)c2ccccc2)cc1,1.0
Cc1nc(-c2ccc(Cl)cc2)c(-c2ccc(S(N)(=O)=O)cc2)s1,1.0
CS(=O)(=O)c1ccc(-c2nc(NCc3ccncc3)cc(C(F)(F)F)n2)cc1,1.0
CS(=O)(=O)c1ccc(-c2nc(NC3CCCCC3)cc(C(F)(F)F)n2)cc1,1.0
Cc1ncc(-c2nc(C(F)(F)F)cn2-c2ccc(S(N)(=O)=O)cc2)s1,1.0
Cc1nc(-c2nc(C(F)(F)F)cn2-c2ccc(S(N)(=O)=O)cc2)cs1,1.0
CS(=O)(=O)c1ccc(-n2cnc(Cl)c2-c2ccc3c(c2)CCO3)cc1,1.0
CS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)nc(NCC3CCOCC3)n2)cc1,1.0
C[C@]1(O)CCC[C@H]1Oc1ncc(C(F)(F)F)cc1-c1ccc(S(C)(=O)=O)cc1,1.0
CS(=O)(=O)c1ccc(-c2nc(NC3CCCC3)cc(C(F)(F)F)n2)cc1,1.0
CS(=O)(=O)c1ccc(-c2nc3ccccc3c(C(=O)[O-])c2-c2ccccc2)cc1,1.0
CS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)cnc2N2CCC[C@@H](CO)C2)cc1,1.0
CS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)nc(OCC3CCCC3)n2)cc1,1.0
CC1(C)OC(=O)C(OC2CCCCC2)=C1c1ccc(S(C)(=O)=O)cc1,1.0
Cn1cccc1CNc1cc(C(F)(F)F)nc(-c2ccc(S(C)(=O)=O)cc2)n1,1.0
C[C@@]1(O)OC(=O)C(c2ccc3ccccc3c2)=C1c1ccc(S(C)(=O)=O)cc1,1.0
Cc1csc(-c2nc(C(F)(F)F)cn2-c2ccc(S(N)(=O)=O)cc2)n1,1.0
CC1(C)C(c2ccc(S(C)(=O)=O)cc2)=C(c2ccccc2)/C1=N/O,1.0
CS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)nc(OC3CCCC3)n2)cc1,1.0
CS(=O)(=O)c1ccc(-c2cc(Br)sc2-c2ccc(F)cc2)cc1,1.0
CC1(C)C(=O)C(c2ccccc2)=C1c1ccc(S(C)(=O)=O)cc1,1.0
CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)C23CCCC3)cc1,1.0
NS(=O)(=O)c1ccc(-c2cc(F)c(F)cc2-c2ccc3c(c2)OCCO3)cc1,1.0
COc1ccc(C2=C(c3ccc4c(c3)oc(=O)n4C)COC2=O)cc1,1.0
COc1cc(NCc2ccccc2)nc(-c2ccc(S(C)(=O)=O)cc2)n1,1.0
NS(=O)(=O)c1ccc(-c2cscc2-c2ccc(F)cc2)cc1,1.0
CC1(C)OC(=O)C(Cc2ccccc2)=C1c1ccc(S(C)(=O)=O)cc1,1.0
CS(=O)(=O)c1ccc(-c2nn(CCc3ccccc3)c(C(F)(F)F)c2-c2ccc(F)cc2)cc1,1.0
CS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)nc(NC3CCOCC3)n2)cc1,1.0
CS(=O)(=O)c1ccc(-n2cnc(Cl)c2-c2ccc3c(c2)OCO3)cc1,1.0
CCOc1ccc(-c2c(Cl)ncn2-c2ccc(S(N)(=O)=O)cc2)cc1,1.0
CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccnc(Cl)c2)cc1,1.0
C=C1CC(c2ccc(S(C)(=O)=O)cc2)=C1c1ccccc1,1.0
CC1(C)OC(=O)C(OC2CCCC2)=C1c1ccc(S(C)(=O)=O)cc1,1.0
CS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2ccc3c(c2)OCO3)cc1,1.0
Cc1nc(C2CCCCC2)c(-c2ccc(S(C)(=O)=O)cc2)o1,1.0
CS(=O)(=O)c1ccc(C2=C(c3ccc(F)cc3)CC3(CCCC3)C2)cc1,1.0
Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(-c3nnn[n-]3)cc2)cc1,1.0
CS(=O)(=O)c1ccc(-c2nc(NCc3ccsc3)cc(C(F)(F)F)n2)cc1,1.0
NS(=O)(=O)c1ccc(-c2c(-c3ccccc3)noc2CF)cc1,1.0
CS(=O)(=O)c1ccc(-c2ccc3c(c2-c2ccc(F)cc2)OCO3)cc1,1.0
Cc1ccc(-c2ccc(S(C)(=O)=O)cc2)n1C1CCCCC1,1.0
CS(=O)(=O)c1ccc(-c2cc3c(cc2-c2ccc(F)cc2)OCO3)cc1,1.0
CC1(C)OC(=O)C(Oc2ccc(Cl)cc2)=C1c1ccc(S(C)(=O)=O)cc1,1.0
CS(=O)(=O)c1ccc(-n2cc(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1,1.0
CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1,1.0
CC1(C)OC(=O)C(C(=O)c2ccccc2)=C1c1ccc(S(C)(=O)=O)cc1,1.0
Cc1ccc(N(C)c2nc(-c3ccc(S(C)(=O)=O)cc3)cc(C(F)(F)F)n2)cc1,1.0
CS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)cnc2OCc2ccc(Cl)cc2)cc1,1.0
CS(=O)(=O)c1ccc(-c2nc(SCc3cccs3)cc(C(F)(F)F)n2)cc1,1.0
CS(=O)(=O)c1ccc(C2=C(Oc3ccccc3)C(=O)CC2)cc1,1.0
Cc1cc(=O)c(-c2ccc(Cl)c(Cl)c2)c(-c2ccc(S(C)(=O)=O)cc2)o1,1.0
Cc1c(COc2ccc(Cl)cc2)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(F)cc1,1.0
CS(=O)(=O)c1ccc(-c2nc(NCc3nccs3)cc(C(F)(F)F)n2)cc1,1.0
CS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)nc(OC3CCC3)n2)cc1,1.0
C[C@@]1([O-])OC(=O)C(c2cc3ccccc3s2)=C1c1ccc(S(C)(=O)=O)cc1,1.0
Cc1[nH]c2cc(S(C)(=O)=O)ccc2c1Sc1ccc(F)cc1,1.0
CC1(C)OC(=O)C(Oc2ccncc2)=C1c1ccc(S(C)(=O)=O)cc1,1.0
CS(=O)(=O)c1ccc(-c2sc(CCc3ccccc3)nc2-c2ccc(F)cc2)cc1,1.0
CS(=O)(=O)c1ccc(-c2cnn(Cc3ccccc3)c(=O)c2Oc2ccc(F)cc2)cc1,1.0
O=C1c2ccccc2-n2c1nc1ccccc1c2=O,1.0
Fc1ccc(-c2[nH]c(-c3ccc(F)cc3)c3c2[C@@H]2CC[C@H]3C2)cc1,1.0
CS(=O)(=O)c1ccc(-c2cc(C(=O)[O-])c3ccc4ccccc4c3n2)cc1,1.0
CC1(C)OC(=O)C(Oc2ccc(Cl)cn2)=C1c1ccc(S(C)(=O)=O)cc1,1.0
CS(=O)(=O)c1ccc(-c2cc(C(=O)[O-])c3ccc4c(c3n2)CCCC4)cc1,1.0
Cc1[nH]c2cc(S(C)(=O)=O)ccc2c1Oc1ccc(F)cc1,1.0
CC1(C)OC(=O)C(Oc2cccnc2)=C1c1ccc(S(C)(=O)=O)cc1,1.0
CS(=O)(=O)c1ccc(-c2cnn(C3CC3)c(=O)c2-c2ccc(F)cc2)cc1,1.0
COc1ccc(-c2nc(NCc3ccccc3)sc2-c2ccc(S(N)(=O)=O)cc2)cc1F,1.0
CC1(C)OC(=O)C(Oc2ccc3[nH]ccc3c2)=C1c1ccc(S(C)(=O)=O)cc1,1.0
NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c3c2-c2ccccc2SC3)cc1,1.0
CC1(C)OC(=O)C(Oc2ncccn2)=C1c1ccc(S(C)(=O)=O)cc1,1.0
CC1(C)OC(=O)C(OC2CCC2)=C1c1ccc(S(C)(=O)=O)cc1,1.0
CCOc1cc(NCc2cccs2)nc(-c2ccc(S(C)(=O)=O)cc2)n1,1.0
CC1(C)OC(=O)/C(=N\c2ccccc2)[C@H]1c1ccc(S(C)(=O)=O)cc1,1.0
Cc1[nH]c2cc(S(C)(=O)=O)ccc2c1C(=O)c1ccc(F)cc1,1.0
CS(=O)(=O)c1ccc(-n2nncc2-c2ccc(F)cc2)cc1,1.0
c1ccc(-c2[nH]c(-c3ccccc3)c3c2CCCC3)cc1,1.0
COc1ccc(C2=C(c3ccc(S(C)(=O)=O)cc3)CN(c3ccccc3Cl)C2=O)cc1,1.0
CC1(C)OC(=O)C(Oc2ccc3ccccc3n2)=C1c1ccc(S(C)(=O)=O)cc1,1.0
FC(F)(F)c1cccc(Nc2ccccc2-c2nnc([S-])o2)c1,1.0
CS(=O)(=O)c1ccc(-c2cc(Cl)cnc2-c2ccc(C3CC3)nc2)cc1,1.0
FC(F)(F)c1cccc(Nc2ccccc2-c2nnc([S-])[nH]2)c1,1.0
CS(=O)(=O)c1ccc(-c2cnn(CCC3CC3)c(=O)c2-c2ccc(F)cc2)cc1,1.0
C1=C[C@H]2CC[C@@H]1c1c(-c3ccccc3)[nH]c(-c3ccccc3)c12,1.0
CS(=O)(=O)c1ccc(C2=C(c3cc(Cl)ccn3)C(=O)CC2)cc1,1.0
c1ccc(-c2[nH]c(-c3ccccc3)c3c2CCC3)cc1,1.0
CS(=O)(=O)[N-]c1cc2c(cc1Oc1ccc(F)cc1F)C(=O)CC2,1.0
CS(=O)(=O)c1ccc(-c2cc(Cl)cnc2-c2ccccn2)cc1,1.0
Cc1c(O)c([C@H](CCCCCC(=O)[O-])c2ccc(F)cc2)c(C)c2c1CC(=O)C2,1.0
CS(=O)(=O)c1ccc(-c2nc(NCc3cccs3)cc(OC3CCCC3)n2)cc1,1.0
C[C@@]1(O)OC(=O)C(c2ccsc2)=C1c1ccc(S(C)(=O)=O)cc1,1.0
COc1ccc(C2=C(c3ccc(S(C)(=O)=O)cc3)CCC2)cc1,1.0
c1ccc(-c2cn3c(c2-c2ccccc2)CCC3)cc1,1.0
CC1(C)C(c2ccc(S(C)(=O)=O)cc2)=C(c2ccccc2)[C@@H]1O,1.0
CS(=O)(=O)c1ccc(C2=C(c3cncc(Cl)c3)C(=O)CC2)cc1,1.0
CS(=O)(=O)c1ccc(-n2nc(COc3ccc4c(c3)OCO4)cc2-c2ccccc2)cc1,1.0
FC(F)(F)c1cccc(Nc2ncccc2-c2nnc([S-])o2)c1,1.0
C[C@@H](OC1=C(c2ccc(S(C)(=O)=O)cc2)C(C)(C)OC1=O)C1CC1,1.0
CS(=O)(=O)c1ccc(C2=C(C#Cc3ccccc3)C(=O)CC2)cc1,1.0
c1ccc(-c2cc(-c3ccccc3)n3c2CCC3)cc1,1.0
CCCCCNc1cc(C(F)(F)F)nc(-c2ccc(S(C)(=O)=O)cc2)n1,1.0
CC[C@H](C)OC1=C(c2ccc(S(C)(=O)=O)cc2)C(C)(C)OC1=O,1.0
CS(=O)(=O)c1ccc(-c2c(-c3ccccc3)sc3nncn23)cc1,1.0
CC1(C)OC(=O)C(Sc2ccccc2)=C1c1ccc(S(C)(=O)=O)cc1,1.0
CS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2cc(Br)cs2)cc1,1.0
CS(=O)(=O)c1ccc(-c2cc(Cl)cnc2-c2ccncc2)cc1,1.0
Cc1c(O)c([C@H](CCCCCC(=O)[O-])c2ccc(F)cc2)c(C)c2c1CCC2,1.0
CS(=O)(=O)c1ccc(C2=C(/C=C/c3ccc(F)cc3)C(=O)CC2)cc1,1.0
Cc1ccc2c(C(=O)[O-])cc(-c3ccc(S(C)(=O)=O)cc3)nc2c1C,1.0
CC[C@]1(CC(=O)[O-])CC[C@H](Cc2ccccc2)c2c1[nH]c1ccccc21,1.0
CS(=O)(=O)c1ccc(-c2nc(NCc3cc4ccccc4s3)cc(C(F)(F)F)n2)cc1,1.0
CCCCNc1nc(-c2ccc(S(C)(=O)=O)cc2)cc(C(F)(F)F)n1,1.0
Fc1ccc(-c2[nH]c(-c3ccc(F)cc3)c3c2[C@H]2CC[C@@H]3CC2)cc1,1.0
O=C([O-])c1ccc2c(c1)[C@H](SCCNS(=O)(=O)c1ccccc1)c1ccccc1CO2,1.0
CS(=O)(=O)c1ccc(C2=C(c3cc(Cl)c(Cl)c(Cl)c3)C(=O)CC2)cc1,1.0
CC(C)=CCn1ncc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(F)cc2)c1=O,1.0
O=C(Nc1nccs1)c1c([O-])n2c3c(cccc13)CCc1ccccc1-2,1.0
CS(=O)(=O)c1ccc(-n2cc(COc3ccc(Cl)cc3)nc2-c2ccc(Cl)cc2)cc1,1.0
CS(=O)(=O)c1ccc(-c2cnc(NCc3ccccc3)nc2-c2ccc(F)cc2)cc1,1.0
Cc1cc(/C=C/c2cccc3ccccc23)cc(C)c1O,1.0
COc1ccc2c(c1)c(CC(=O)NCc1ccc(C)cc1)c(C)n2C(=O)c1ccc(Cl)cc1,1.0
CS(=O)(=O)c1ccc(-c2cnn(Cc3ccccc3)c(=O)c2Sc2ccccc2)cc1,1.0
CS(=O)(=O)c1ccc(-n2nc(COc3cccc(N4CCOCC4)c3)cc2-c2ccccc2)cc1,1.0
CS(=O)(=O)c1ccc(-c2sc(Cc3ccccc3)nc2-c2ccc(F)cc2)cc1,1.0
CS(=O)(=O)c1ccc(-c2cc(-c3ccccc3)oc(=O)c2-c2cccnc2)cc1,1.0
O=C1Cc2cc(Cl)c(-c3ccccc3)cc2O1,1.0
CS(=O)(=O)c1ccc(-c2cnn(CC3CCCCC3)c(=O)c2-c2ccc(F)cc2)cc1,1.0
CS(=O)(=O)[N-]c1cc2c(cc1SC1CCCCC1)C(=O)CC2,1.0
NS(=O)(=O)c1ccc(-c2sc(COc3cc(Cl)cc(Cl)c3)nc2-c2ccc(F)cc2)cc1,1.0
CS(=O)(=O)c1ccc(-c2cnn(Cc3ccccc3)c(=O)c2Oc2ccc(Cl)cn2)cc1,1.0
CC1(C)OC(=O)C(Oc2cnccn2)=C1c1ccc(S(C)(=O)=O)cc1,1.0
CC(C)(C)c1cc(C(=O)c2ccccc2)cc2c1OCC2(C)C,1.0
Cc1c(C)c(CO)c(C)c([C@H](CCCCCC(=O)[O-])c2ccc(F)cc2)c1O,1.0
CCN(O)CCc1ccc2c(c1)[C@@H](O)c1ccccc1CO2,1.0
NS(=O)(=O)c1ccc(-n2nc(-c3ccc(Cl)s3)cc2-c2ccc(Cl)cc2)cc1,1.0
CS(=O)(=O)[N-]c1cc2c(cc1OC1CCCCC1)C(=O)CC2,1.0
C[C@@H](C(=O)[O-])c1ccc(-c2ccccc2)c(F)c1,1.0
CS(=O)(=O)[N-]c1cc2c(cc1Sc1ccccn1)C(=O)CC2,1.0
Cc1ccc(Cl)c(Nc2ccccc2C(=O)NCCOc2ccccc2)c1Cl,1.0
CS(=O)(=O)c1ccc(-c2cnc(Nc3ccccc3)nc2-c2ccc(F)cc2)cc1,1.0
CC(C)Oc1c(-c2ccc(S(C)(=O)=O)cc2)cnn(Cc2ccccc2)c1=O,1.0
COc1ccc2c(c1)c(CCOC(=O)c1ccc(Cl)cc1)c(C)n2Cc1ccc(Br)cc1,1.0
COC1(c2cc(F)cc(OCc3cc(-c4ccccc4)n(-c4ccc(S(C)(=O)=O)cc4)n3)c2)CCOCC1,1.0
CC1(C)CC(c2cc(C(C)(C)C)c3c(c2)C(C)(C)CO3)=NO1,1.0
COc1ccc2c(c1)c(CCNC(=O)c1ccc(Cl)cc1)c(C)n2Cc1ccc(Br)cc1,1.0
CS(=O)(=O)c1ccc(-c2cccnc2-c2ccccc2)cc1,1.0
CC(C)(C)c1cc(-c2nc(CCl)no2)cc(C(C)(C)C)c1O,1.0
CC(C)(C)c1cc(-c2cccs2)cc2c1OCC2(C)C,1.0
Cc1c(C)c2c(c([C@H](CCCCCC(=O)[O-])c3ccc(F)cc3)c1O)CCC2,1.0
CS(=O)(=O)c1ccc(-c2cnc(C(=O)c3ccccc3)n2-c2ccc(F)cc2)cc1,1.0
CC(C)(C)C#CC1=C(c2ccc(S(C)(=O)=O)cc2)CCC1=O,1.0
Cn1cccc1Cc1ncc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(F)cc2)n1,1.0
C[C@@H](C(=O)[O-])c1ccc2c(c1)[nH]c1ccc(Cl)cc12,1.0
CC(C)(C)c1cc(-c2noc([S-])n2)cc(C(C)(C)C)c1O,1.0
O=C(Nc1nccs1)c1c([O-])n2c3c(cccc13)Oc1ccccc1-2,1.0
CC(C)(C)c1cc(-c2nnc([S-])[nH]2)cc(C(C)(C)C)c1O,1.0
CC(C)(C)c1cc(C(=O)NC2CC2)cc2c1OCC2(C)C,1.0
CC(C)(C)c1cc(/C=C2\OC(=O)NC2=O)cc(C(C)(C)C)c1O,1.0
CS(=O)(=O)c1ccc(-c2sc(-c3ccccc3Cl)nc2-c2ccccc2F)cc1,1.0
CC(C)(C)c1cc(C(=O)c2cccs2)cc2c1OCC2(C)C,1.0
CS(=O)(=O)c1ccc(-c2cnc(Cc3ccccc3O)nc2-c2ccc(F)cc2)cc1,1.0
Cc1csc(Sc2cc3c(cc2[N-]S(C)(=O)=O)CCC3=O)n1,1.0
CC1(C)C[C@@H]1Cn1ncc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(F)cc2)c1=O,1.0
CC(C)(C)c1cc(/C=C2/CCNS2(=O)=O)cc(C(C)(C)C)c1O,1.0
CC(C)(C)c1cc(/C=C2\CCOC2=O)cc(C(C)(C)C)c1O,1.0
C=CC[C@H]1CC[C@](CC)(CC(=O)[O-])c2[nH]c3c(CC)cccc3c21,1.0
CCc1csc(Sc2cc3c(cc2[N-]S(C)(=O)=O)COC3=O)n1,1.0
CSc1ccc(C(=O)c2cc(F)cc(CC(=O)[O-])c2N)cc1,1.0
CC[C@@H](O)c1nc2c(C(F)(F)F)cccc2c([O-])c1C(=O)Nc1nccs1,1.0
N#CSC[C@@H]1C[C@@](O)(c2ccccc2)C[C@H](c2ccc(Cl)cc2)O1,1.0
CS(=O)(=O)c1ccc(/C=C(/C(=O)OCCO[N+](=O)[O-])c2ccc(Br)cc2)cc1,1.0
CC(C)(C)c1cc(C(=O)c2cccs2)cc(C(C)(C)C)c1O,1.0
Nc1c(CC(=O)[O-])cccc1C(=O)C1CCCCC1,1.0
COc1ccc2c(c1)c(C[C@H](C)CC(=O)[O-])c(C)n2Cc1ccc(Br)cc1,1.0
CS(=O)(=O)c1ccc(-c2cnc(CC3CCCCC3)nc2-c2ccc(F)cc2)cc1,1.0
COc1ccc2c(c1)c(CC(=O)NCCOC(=O)/C=C/c1ccc(N(C)C)cc1)c(C)n2C(=O)c1ccc(Cl)cc1,1.0
COc1ccc2c(c1)c(Cc1nc(-c3csc4ccccc34)cs1)c(C)n2C(=O)c1ccc(Cl)cc1,1.0
CN1C(C(=O)Nc2ccccn2)=C([O-])c2ccccc2S1(=O)=O,1.0
CS(=O)(=O)c1ccc(-c2sc(-c3cccs3)nc2-c2ccc(F)cc2)cc1,1.0
CON1CC/C(=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1=O,1.0
Cc1cc(NC(=O)[C@H]2C(=O)N3c4ccccc4Oc4cccc2c43)no1,1.0
CS(=O)(=O)c1ccc(-c2sc(-c3cccnc3)nc2-c2ccc(F)cc2)cc1,1.0
CCCCC(=O)c1cc(C(C)(C)C)c2c(c1)C(C)(C)CCS2,1.0
CS(=O)(=O)c1ccc(-n2cc(-c3ccccc3)nn2)cc1,1.0
CS(=O)(=O)c1ccc(-c2cnc(Cc3ccccc3)[n+]([O-])c2-c2ccc(F)cc2)cc1,1.0
O=C(Nc1ccc(F)cc1F)[C@H]1C(=O)N2c3ccccc3Oc3cccc1c32,1.0
O=C(Nc1ccc(F)cc1F)[C@H]1C(=O)N2c3ccccc3Sc3cccc1c32,1.0
CS(=O)(=O)c1ccc([C@H]2SCC(=O)N2c2ccc(F)cc2)cc1,1.0
O=S(=O)([N-]c1ccncc1Nc1ccccc1)C(F)(F)F,1.0
O=C([O-])c1ccc2c(c1)[C@H](SCC[NH+]1CCN(c3ccccc3)CC1)c1ccccc1CO2,1.0
Cc1c(C)c2c(c([C@H](CCCCCC(=O)[O-])c3ccc(F)cc3)c1O)CCC2=O,1.0
C[C@H](C(=O)[O-])c1ccc(C[C@H]2CCC[C@@H]2O)cc1,1.0
CS(=O)(=O)[N-]c1ccc([N+](=O)[O-])cc1OC1CCCCC1,1.0
CS(=O)(=O)c1ccc([C@H]2Sc3ccccc3C(=O)N2Cc2ccccc2)cc1,1.0
O=S(=O)([N-]c1ccncc1Sc1ccccc1)C(F)(F)F,1.0
c1ccc2c(c1)Nc1ccccc1S2,1.0
COC1(c2cc(F)cc(OCc3nc(-c4ccc(F)cc4)c(S(N)(=O)=O)o3)c2)CCOCC1,1.0
Cc1cc2ncn(C/C=C3\c4ccccc4COc4ccc(C(=O)[O-])cc43)c2cc1C,1.0
O=C([O-])c1ccc2c(c1)/C(=C/Cn1cnc3cc4c(cc31)OCO4)c1ccccc1CO2,1.0
COc1ccc(-n2nc(-c3ccc(Cl)cc3)c3c2CC[C@H](O)C3)cc1,1.0
CC(C)(C)c1cc(/C=C/c2cccnc2)cc(C(C)(C)C)c1O,1.0
CCc1cccc2c3c([nH]c12)[C@](CC)(CC(=O)[O-])OCC3,1.0
O=C([O-])c1ccc2c(c1)[C@H](SCC[N@H+]1CC[C@H](Cc3ccccc3)CC1)c1ccccc1CO2,1.0
Cc1cc(CCc2cccs2)cc(C)c1O,1.0
CCSc1nnc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)o1,1.0
CCSc1cc(-c2ccccc2)c(-c2ccc(S(C)(=O)=O)cc2)c(=O)o1,1.0
CC(C)S(=O)(=O)c1c([O-])n(Cc2ccccc2)c(=O)c2ccc(Cl)cc12,1.0
CS(=O)(=O)c1ccc([C@H]2Sc3ccccc3C(=O)N2CCc2ccccc2)cc1,1.0
O=C([O-])Cc1ccc2c(c1)/C(=C/C[N@H+]1CC[C@H](Cc3ccccc3)CC1)c1ccccc1CO2,1.0
CCCC(=O)c1cc(C(C)(C)C)c2c(c1)C(C)(C)CS2,1.0
CC(C)(C)c1cc(C(=O)/C=C/CC2CC2)cc2c1OCC2(C)C,1.0
Nc1c(CC(=O)[O-])cccc1C(=O)c1ccc(-c2ccccc2)cc1,1.0
COc1ccc2cc([C@H](C)C(=O)[O-])ccc2c1,1.0
Cn1cccc1C(=O)c1cc(C(C)(C)C)c2c(c1)C(C)(C)CO2,1.0
COc1ccc2c(c1)c(CC(=O)NC[C@@H](O)c1ccccc1)c(C)n2C(=O)c1ccc(Cl)cc1,1.0
COc1ccc2c(c1)c(CC(=O)Nc1ccc(-c3ccccc3)cc1)c(C)n2C(=O)c1ccc(Cl)cc1,1.0
COc1ccc2c(c1)c(CC(=O)NOCc1ccccc1)c(C)n2C(=O)c1ccc(Cl)cc1,1.0
O=C(Nc1ccc(Cl)cc1)[C@H]1C(=O)N2c3ccccc3CCc3cccc1c32,1.0
Cc1cnc(NC(=O)c2c([O-])n3c4c(cc(F)cc24)Cc2cc(F)ccc2-3)s1,1.0
CC(C)(C)c1cc(-c2cn3ccsc3n2)cc2c1OCC2(C)C,1.0
O=C([O-])c1ccc2c(c1)[C@H](SCC[N@H+]1CC[C@H](n3c(=O)[nH]c4ccccc43)CC1)c1ccccc1CO2,1.0
COc1ccc(-n2nc(C#C[C@@H](C)N(O)C(=O)N3CCCCC3)cc2-c2ccc(Cl)cc2)cc1,1.0
CS(=O)(=O)c1ccc(-c2sc(-c3ccccc3Cl)nc2-c2cccs2)cc1,1.0
NS(=O)(=O)c1ccc(-n2nc(C(=O)Nc3cccc(Cl)c3)cc2-c2ccc(F)cc2)cc1,1.0
CSc1nnc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)s1,1.0
C[C@H]1C[C@](O)(c2ccccc2)C[C@@H](CSC#N)O1,1.0
CS(=O)(=O)c1ccc(-c2sc(-c3ccccc3Cl)nc2-c2ccsc2)cc1,1.0
CC(C)(C)c1cc(/C=C/c2cccs2)cc(C(C)(C)C)c1O,1.0
COc1ccc2c(c1)c(CC(=O)Nc1cncc(Cl)c1)c(C)n2C(=O)c1ccc(Cl)cc1,1.0
COc1ccc2c(c1)c(CC(=O)OCCc1ccccc1)c(C)n2C(=O)c1ccc(Cl)cc1,1.0
COc1cc(OCc2cc(-c3ccccc3)n(-c3ccc(S(C)(=O)=O)cc3)n2)cc(OC)c1OC,1.0
CC(C)(C)c1cc(/C=C2\CCN(c3ccncc3)S2(=O)=O)cc(C(C)(C)C)c1O,1.0
O=C([O-])c1ccc2c(c1)/C(=C/Cn1cnc3ccc(C(=O)NCc4ccccc4)cc31)c1ccccc1CO2,1.0
C#CCCCC(=O)c1cc(C(C)(C)C)c2c(c1)C(C)(C)CO2,1.0
CC(C)(C)c1cc(C(=O)CCCC2CC2)cc2c1OCC2(C)C,1.0
COc1ccc2c(c1)c(CC(=O)OC1CCCCC1)c(C)n2C(=O)c1ccc(Cl)cc1,1.0
CS(=O)(=O)c1ccc(-c2cnn(-c3ccccc3)c(=O)c2-c2ccccc2)cc1,1.0
COc1ccc2c(c1)c(CC(=O)OCCN1CCOCC1)c(C)n2C(=O)c1ccc(Cl)cc1,1.0
CC(C)Cc1ccc([C@H](C)C(=O)[O-])cc1,1.0
Cc1cccnc1C#Cc1ccc(S(N)(=O)=O)cc1,1.0
Fc1ccc(-c2[nH]c(-c3ccc(-n4ccnc4)cc3)c3c2CCCC3)cc1,1.0
CC(C)(C)c1cc(/C=C2\CCN(c3cccnc3)S2(=O)=O)cc(C(C)(C)C)c1O,1.0
CC(C)(C)c1cc(/C=C2\SC(=O)NC2=O)cc(C(C)(C)C)c1O,1.0
COc1ccc2c(c1)c(CC(=O)[O-])c(C)n2C(=O)c1ccc(Cl)cc1,1.0
COc1ccc(-c2cc(-c3cccnc3)c(-c3ccc(S(C)(=O)=O)cc3)c(=O)o2)cc1,1.0
Cc1ccc(-c2c(-c3ccc(S(C)(=O)=O)cc3)cnn(Cc3ccccc3)c2=O)cc1,1.0
CC1(C)OC(=O)C(Oc2ccc3sccc3c2)=C1c1ccc(S(C)(=O)=O)cc1,1.0
COc1ccc(OC(=O)Cc2c(C)n(C(=O)c3ccc(Cl)cc3)c3ccc(OC)cc23)cc1,1.0
CC(C)(C)c1cc([CH-]C2=NC(=S)NC2=O)cc(C(C)(C)C)c1O,1.0
Cc1cc(/C=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)no1,1.0
COc1ccc(-c2cc(-c3ccc(Cl)cc3)n(-c3ccc(S(N)(=O)=O)cc3)n2)cc1,1.0
O=C([O-])c1ccc2c(c1)[C@H](SCC[N@H+]1CC[C@H](c3ccccc3)CC1)c1ccccc1CO2,1.0
COc1ccc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)c(-c3ccncc3)c(=O)o2)cc1,1.0
COc1ccc(C(=O)C#Cc2ccc(S(C)(=O)=O)cc2)c2ccccc12,1.0
NS(=O)(=O)c1ccc(-n2cc(-c3ccc(Br)cc3)c(C(F)(F)F)n2)cc1,1.0
CS(=O)(=O)c1ccc(C#Cc2cccnc2)cc1,1.0
COc1ccc2c(c1)c(Cc1nc(-c3ccc(Br)cc3)cs1)c(C)n2C(=O)c1ccc(Cl)cc1,1.0
CS(=O)(=O)c1ccc(-c2cnn(Cc3nccs3)c(=O)c2-c2ccc(F)cc2)cc1,1.0
Cc1cc(/C=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)[nH]n1,1.0
CS(=O)(=O)c1ccc(-c2cnn(Cc3cccs3)c(=O)c2-c2ccc(F)cc2)cc1,1.0
O=C([O-])c1ccc2c(c1)[C@H](SCC[NH+]1CCN(Cc3ccccc3)CC1)c1ccccc1CO2,1.0
COc1ccc2c(c1)c(Cc1csc(N)n1)c(C)n2C(=O)c1ccc(Cl)cc1,1.0
CC(C)(C)c1cc(/C=C2\OC(N=C(N)N)=NC2=O)cc(C(C)(C)C)c1O,1.0
CC(C)(C)c1cc(C(=O)CSCC2CC2)cc2c1OCC2(C)C,1.0
CS(=O)(=O)c1ccc(-c2sc3nc(C(F)(F)F)nn3c2-c2ccccc2)cc1,1.0
CS(=O)(=O)c1ccc(-c2nc3ccccc3c(-c3ccccc3)c2-c2ccccc2)cc1,1.0
COc1ccc2c(c1)c(CC(=O)Oc1cccnc1)c(C)n2C(=O)c1ccc(Cl)cc1,1.0
Cc1cnc2c(-c3ccc(F)cc3)c(-c3ccc(S(C)(=O)=O)cc3)nn2c1C,1.0
CC(C)(C)c1cc(/C=C2\CCN(C3CC3)S2(=O)=O)cc(C(C)(C)C)c1O,1.0
Cc1cnc(NC(=O)C2=C([O-])c3ccccc3S(=O)(=O)N2C)s1,1.0
CC(C)(C)c1cc(/C=C2\CCCNS2(=O)=O)cc(C(C)(C)C)c1O,1.0
COc1ccc(-c2cc(-c3ccccc3)c(-c3ccc(S(C)(=O)=O)cc3)c(=O)o2)cc1,1.0
COc1ccc(NC(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1,1.0
CN1OCC/C(=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)S1(=O)=O,1.0
CC(C)(C)c1cc(/C=C2\SC(=S)N=C2[O-])cc(C(C)(C)C)c1O,1.0
CC(C)(C)c1cc(/C=C\c2cccs2)cc2c1OCC2(C)C,1.0
COc1ccc2c(c1)c(CC(=O)Nc1ccc(Cl)cc1)c(C)n2C(=O)c1ccc(Cl)cc1,1.0
COc1ccc2c(c1)c(Cc1nc(-c3ccc4ccccc4c3)cs1)c(C)n2C(=O)c1ccc(Cl)cc1,1.0
COc1ccc2c(c1)c(CC(=O)Nc1cc(C)c(C(=O)Nc3ccccc3)cc1OC)c(C)n2C(=O)c1ccc(Cl)cc1,1.0
Nc1ccc(CC(=O)Nc2nc3ccc(Cl)cc3c3nc(-c4ccco4)nn23)cc1,0.0
O=C(Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12)C(c1ccccc1)c1ccccc1,0.0
Cc1ccc2c(c1)-c1nc(N)nc(-c3ccccc3)c1C2,0.0
O=C(CCc1ccccc1)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,0.0
Cc1cccnc1CNC(=O)c1cc(-c2ccccc2)nc(N)n1,0.0
CC(=O)Nc1cc(N2CCc3ccccc3C2)nc(-n2nc(C)cc2C)n1,0.0
Cc1c(C)n(-c2ccccc2)c2nc(-c3ccccc3)nc(N)c12,0.0
Nc1nc(-c2ccco2)c2ccn(Cc3ccccc3F)c2n1,0.0
Nc1nc(-c2ccccc2)c2oc3ccccc3c2n1,0.0
Nc1nc(-c2ccccc2)c2c(n1)-c1cc(C[NH2+]Cc3ccco3)ccc1C2=O,0.0
Nc1nc(-c2ccccc2)c2c(n1)-c1cc(CNCc3ccccn3)ccc1C2=O,0.0
Cc1cc(C)n(-c2cc(NC(=O)COc3ccccc3CCN3CCOCC3)nc(-c3ccc(C)o3)n2)n1,0.0
Nc1nc(-c2ccccn2)c2cnn(Cc3ccccc3F)c2n1,0.0
Nc1nc(-c2ccccc2)c2c(n1)-c1ccccc1C2=O,0.0
Nc1nc(-c2cc[nH]n2)c2cnn(Cc3ccccc3F)c2n1,0.0
Nc1nc(-c2ccco2)c2nnn(Cc3ccc4[nH]ncc4c3)c2n1,0.0
CC(=O)Nc1cc(N2CCCC2=O)nc(-n2nc(C)cc2C)n1,0.0
Nc1nc(-c2ccccc2)c2c(n1)-c1cc(NCCc3ccccn3)ccc1C2=O,0.0
Cc1cc(C)n(-c2cc(NC(=O)COc3cccc(CCN4CCOCC4)c3)nc(-c3ccc(C)o3)n2)n1,0.0
Nc1nc(-c2ccncc2)c2c(n1)-c1ccccc1C2=O,0.0
Nc1nc(-c2ccco2)c2c(n1)-c1ccccc1C2=O,0.0
Nc1nc(-c2ccco2)c2nnn(Cc3ccc4[nH]nnc4c3)c2n1,0.0
Nc1nc(C(=O)NCc2ccccc2Cl)nc(-c2ccco2)n1,0.0
CCC(=O)Nc1cc(-c2cncc(OC)c2)nc(-n2nc(C)cc2C)n1,0.0
Nc1nc(-c2ccccc2)c2c(n1)-c1cc(NCCc3ccncc3)ccc1C2=O,0.0
Nc1nc(OCCc2ccc3ccccc3c2)nc2c1ncn2[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O,0.0
Nc1nc(N/N=C/C2CCCCC2)nc2c1ncn2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O,0.0
Nc1nc(-c2cccs2)c2cnn(Cc3ccccc3F)c2n1,0.0
Cn1cc2c(nc(NC(=O)COc3ccccc3)n3nc(-c4ccco4)nc23)n1,0.0
Cc1noc(-c2sc(NC(=O)C3CC3)nc2-c2ccccc2)n1,0.0
Cc1nc(-c2sc(NC(=O)C3CC3)nc2-c2ccccc2)no1,0.0
Oc1cccc(-c2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)c1,0.0
Nc1ncnc2c1c(-c1cnc3[nH]ccc3c1)nn2C1CCCC1,0.0
Oc1ccc(Nc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)cc1,0.0
[NH3+]Cc1ccc(-c2cn3c(-c4cn[nH]c4)cnc3cn2)cc1,0.0
Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=O)c1c(F)cccc1F,0.0
Nc1ncnc2c1c(-c1cccc(O)c1)cn2C1CCCC1,0.0
Nc1ncnc2c1c(-c1cccc(O)c1)cn2C1CCC1,0.0
c1ccc(COc2ccc3c(-c4nc5cc(N6CCC([NH+]7CCCCC7)CC6)ccc5[nH]4)n[nH]c3c2)cc1,0.0
Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1Nc1nccc(-c2cccnc2)n1,0.0
Cc1ccc(NC(=O)Nc2cccc(N3CCCC3)c2)cc1Nc1nccc(-c2cccnc2)n1,0.0
Nc1cccc(Nc2nccc(-c3ccncc3)n2)c1,0.0
c1ccc(CNc2ccc3[nH]nc(-c4nc5cc(N6CCC([NH+]7CCCCC7)CC6)ccc5[nH]4)c3c2)cc1,0.0
Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1N1Cc2cnc(Nc3ccccc3)nc2N(C)C1=O,0.0
CC(C)(C)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc21,0.0
c1ccc2c(-c3nc4cc(N5CCC([NH+]6CCCCC6)CC5)ccc4[nH]3)n[nH]c2c1,0.0
Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1N1Cc2cnc(N)nc2N(C)C1=O,0.0
COC(=O)CN1CC[C@@H](n2cc(-c3cccc(O)c3)c3c(N)ncnc32)C1,0.0
COC(=O)CN1CCC(n2cc(-c3cccc(O)c3)c3c(N)ncnc32)CC1,0.0
CC(C)(C)NC(=O)Nc1ccc2[nH]nc(-c3nc4cc(N5CCC([NH+]6CCCCC6)CC5)ccc4[nH]3)c2c1,0.0
O=C(Nc1ccc2[nH]nc(-c3nc4cc(N5CCC([NH+]6CCCCC6)CC5)ccc4[nH]3)c2c1)c1ccco1,0.0
CCSc1nc(Nc2cccc(Cl)c2)c2cnn(C[C@@H](Cl)c3ccccc3)c2n1,0.0
Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3ccc(CCC[NH+]4CCCC4)cc3)nc12,0.0
Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1,0.0
Cc1ccc(C(=O)Nc2ccc(CN3CC[NH+](C)CC3)c(C(F)(F)F)c2)cc1/C=C/c1cnc2cccnn12,0.0
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12,0.0
Cc1ccc(NC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,0.0
Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3ccc(OCC[NH+]4CCCC4)cc3)nc12,0.0
CCCCCC(=O)Nc1cccc(Nc2nccc(-c3cccnc3)n2)c1,0.0
Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3ccc(C(=O)N4CC[NH+](C)CC4)cc3)nc12,0.0
Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3ccc(S(=O)(=O)C4CC[NH2+]CC4)cc3)nc12,0.0
O=C(Nc1cccc(Nc2nccc(-c3cccnc3)n2)c1)c1cccnc1,0.0
O=C(Nc1cccc(Nc2nccc(-c3cccnc3)n2)c1)C1CCCCC1,0.0
Nc1ncnc2n[nH]c(Nc3cccc(Cl)c3)c12,0.0
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(N[C@H](Cc1cccnc1)C(=O)CCC(=O)N1CCC[C@H]1C(=O)[O-])c1ccccc1,0.0
O=C(S[C@H](CC(=O)N1CCC[C@@H]1C(=O)[O-])C(=O)c1ccc(Br)cc1)c1ccccc1,0.0
CC(=O)S[C@H](CC(=O)N1CCC[C@@H]1C(=O)[O-])C(=O)c1ccc2c(c1)CCC2,0.0
CC(=O)S[C@H](CC(=O)N1CCC[C@@H]1C(=O)[O-])C(=O)c1ccc2ccccc2c1,0.0
O=C(/C=C/c1ccc(O)c(O)c1)c1ccc(O)cc1O,0.0
O=C(N[C@H](CCC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])C(=O)[O-])OCc1ccccc1,0.0
O=C(CCC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-],0.0
O=C(N[C@@H](Cc1cccnc1)C(=O)CCC(=O)N1CCC[C@H]1C(=O)OCc1ccccc1)c1ccccc1,0.0
O=C1OCCN(C(=O)OCc2ccccc2)[C@@H]1CCC(=O)N1c2ccccc2C[C@H]1C(=O)[O-],0.0
C[C@H](CC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)[O-],0.0
O=C(N[C@H](Cc1ccccc1)C(=O)COCC(=O)N1CCC[C@@H]1C(=O)[O-])c1ccccc1,0.0
O=C(N[C@H](CCC(=O)N1c2ccccc2C[C@H]1C(=O)[O-])C(=O)[O-])c1ccccc1,0.0
O=C(N[C@@H](Cc1ccc2ccccc2c1)C(=O)N1CCC[C@H]1C(=O)[O-])[C@@H](S)Cc1ccccc1,0.0
O=C([O-])[C@@H](CCC(=O)N1c2ccccc2C[C@H]1C(=O)[O-])[NH2+]Cc1ccccc1,0.0
O=C(CCC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)N[C@H](Cc1ccccc1)C(=O)[O-],0.0
O=C(N[C@H](Cc1ccccc1)C(=O)CCCC(=O)N1CCC[C@H]1C(=O)[O-])c1ccccc1,0.0
C[C@@H](O[C@H](CCc1ccccc1)C(=O)[O-])C(=O)N1CCC[C@@H]1C(=O)[O-],0.0
O=C(S[C@@H]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C(=O)[O-])c1ccccc1,0.0
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(N[C@@H](Cc1cccc2ccccc12)C(=O)N1CCC[C@H]1C(=O)[O-])[C@@H](S)Cc1ccccc1,0.0
O=C(CCC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)N[C@H](Cc1ccccc1)C(=O)OCc1ccccc1,0.0
O=C([O-])[C@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](S)Cc1ccccc1,0.0
Cc1ccc(CSC[C@@H](NC(=O)[C@@H](CS)Cc2ccc3ccccc3c2)C(=O)[O-])cc1,0.0
O=C(CCc1ccccc1)N[C@H](CCC(=O)N1c2ccccc2C[C@H]1C(=O)[O-])C(=O)[O-],0.0
C[C@@H](S[C@H](CCc1ccccc1)C(=O)[O-])C(=O)N1CCC[C@@H]1C(=O)[O-],0.0
O=C(N[C@H](CCC(=O)N1c2ccccc2C[C@H]1C(=O)[O-])C(=O)[O-])c1ccccn1,0.0
O=C(N[C@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)CCC(=O)N1CCC[C@H]1C(=O)[O-])c1ccccc1,0.0
O=C(N[C@H](Cc1ccccc1)C(=O)CCC(=O)N1CCC[C@H]1C(=O)[O-])OCc1ccccc1,0.0
O=C(N[C@H](CCC(=O)N1c2ccccc2C[C@H]1C(=O)[O-])C(=O)[O-])c1cccnc1,0.0
O=C(N[C@@H](Cc1ccccc1)C(=O)CNCC(=O)N1CCC[C@H]1C(=O)[O-])c1ccccc1,0.0
O=C(N[C@H](Cc1ccccc1)C(=O)CCC(=O)N1CCC[C@H]1C(=O)[O-])[C@@H]1CCCO1,0.0
C[C@@H]([NH2+][C@H](CCc1cccc2ccccc12)C(=O)[O-])C(=O)N1CCC[C@@H]1C(=O)[O-],0.0
C[C@H](N[P@@](=O)([O-])OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)[O-],0.0
O=C(N[C@H](CCC(=O)N1c2ccccc2CC[C@@H]1C(=O)[O-])C(=O)[O-])OCc1ccccc1,0.0
CC(C)[C@H](S)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1CCC[C@H]1C(=O)[O-],0.0
O=C([O-])[C@H](CO)NC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H](CCc1ccccc1)C(=O)[O-],0.0
O=C(N[C@H](CCC(=O)N1c2ccccc2C[C@H]1C(=O)OCc1cccnc1)C(=O)[O-])OCc1ccccc1,0.0
C[C@@H](NC(=O)c1ccccc1)C(=O)CCC(=O)N1CCC[C@H]1C(=O)[O-],0.0
C[C@H](C[C@@H](CCc1ccccc1)C(=O)[O-])C(=O)N1c2ccccc2C[C@@H]1C(=O)[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
CCOC(=O)[C@H](CCc1ccccc1)N[C@H](C)C(=O)N1C(=O)CC[C@@H]1C(=O)[O-],0.0
O=C(NCCNc1c2c([nH+]c3ccccc13)CCCC2)C(=O)NCCNc1c2c([nH+]c3ccccc13)CCCC2,0.0
O=C(CCCCCNc1c2c([nH+]c3ccccc13)CCCC2)NCCc1c[nH]c2ccc(O)cc12,0.0
c1cc(CCNc2c3c([nH+]c4ccccc24)CCCC3)nc(CCNc2c3c([nH+]c4ccccc24)CCCC3)c1,0.0
c1ccc2c(NCCc3ccc(CCNc4c5c([nH+]c6ccccc46)CCCC5)cc3)c3c([nH+]c2c1)CCCC3,0.0
c1cc(CCNc2c3c([nH+]c4ccccc24)CCCC3)cc(CCNc2c3c([nH+]c4ccccc24)CCCC3)c1,0.0
Clc1ccc2c(NCCC[NH2+]CCCCCCOc3cccc4[nH]c5ccccc5c34)c3c([nH+]c2c1)CCCC3,0.0
O=C(/C=C/c1c[nH]c2ccccc12)NCCCCCCNc1c2c([nH+]c3cc(Cl)ccc13)CCCC2,0.0
O=C(CCc1c[nH]c2ccccc12)NCCCCCCNc1c2c([nH+]c3cc(Cl)ccc13)CCCC2,0.0
O=C(Cc1c[nH]c2ccccc12)NCCCCCCCNc1c2c([nH+]c3cc(Cl)ccc13)CCCC2,0.0
C[N@H+](CCCCNc1c2c([nH+]c3ccccc13)CCCC2)CCCNc1c2c([nH+]c3ccccc13)CCCC2,0.0
O=C(CCCc1c[nH]c2ccccc12)NCCCCCNc1c2c([nH+]c3cc(Cl)ccc13)CCCC2,0.0
C[NH+](CCCNc1c2c([nH+]c3ccccc13)CCCC2)CCCNc1c2c([nH+]c3ccccc13)CCCC2,0.0
O=C(NC(=S)NCC[C@H]1CC[N@H+](Cc2ccccc2)CC1)c1ccc2c(=O)c3ccccc3oc2c1,0.0
CC1=C[C@@H]2Cc3[nH+]c4cc(Cl)ccc4c(NCCCCCCCCNc4c5c([nH+]c6ccccc46)CCCC5)c3[C@H](C1)C2,0.0
O=C(NC(=S)NCC[C@H]1CC[N@H+](Cc2ccccc2)CC1)c1ccc2c(c1)C(=O)c1ccccc1-2,0.0
Clc1ccc2c(NCCC[NH2+]CCCCCOc3cccc4[nH]c5ccccc5c34)c3c([nH+]c2c1)CCCC3,0.0
O=C(NC(=S)NCC[C@H]1CC[N@H+](Cc2ccccc2)CC1)c1ccc2c(c1)C(=O)c1ccccc1C2=O,0.0
O=C(CC[C@H]1CC[N@H+](Cc2ccccc2)CC1)c1ccc2c(c1)OCCO2,0.0
O=C(CCCc1c[nH]c2ccccc12)NCCCCCCNc1c2c([nH+]c3cc(Cl)ccc13)CCCC2,0.0
O=C(CCCNc1c2c([nH+]c3ccccc13)CCCC2)CCCNc1c2c([nH+]c3ccccc13)CCCC2,0.0
[NH3+][C@@H](CCC(=O)NCCNc1c2c([nH+]c3ccccc13)CCCC2)C(=O)NCCNc1c2c([nH+]c3ccccc13)CCCC2,0.0
c1ccc2c(NCCCCCCCNc3c4c([nH+]c5ccccc35)CCCCC4)c3c([nH+]c2c1)CCCCC3,0.0
Clc1ccc2c(NCCC[NH2+]CCCCOc3cccc4[nH]c5ccccc5c34)c3c([nH+]c2c1)CCCC3,0.0
c1ccc2c(NCCCCCCCCNc3c4c([nH+]c5ccccc35)CCCCC4)c3c([nH+]c2c1)CCCCC3,0.0
O=C(CCc1c[nH]c2ccccc12)NCCCCCNc1c2c([nH+]c3cc(Cl)ccc13)CCCC2,0.0
O=C(NCCCCCCCCNc1c2c([nH+]c3cc(Cl)ccc13)CCCC2)c1c[nH]c2ccccc12,0.0
O=C(CC[C@H]1CC[N@H+](Cc2ccccc2)CC1)c1ccc2c(c1)OCO2,0.0
Clc1ccc2c(NCCC[NH2+]CCCOc3cccc4[nH]c5ccccc5c34)c3c([nH+]c2c1)CCCC3,0.0
Clc1ccc2c(NCCCCCCCCNc3c4c([nH+]c5cc(Cl)ccc35)CCCC4)c3c([nH+]c2c1)CCCC3,0.0
c1ccc2c(NCCCCCCCCCNc3c4c([nH+]c5ccccc35)CCCC4)cc[nH+]c2c1,0.0
Clc1ccc2c(NCCCCCCCNc3c4c([nH+]c5cc(Cl)ccc35)CCCC4)c3c([nH+]c2c1)CCCC3,0.0
c1ccc2c(SCCC[NH2+]CCCCNc3c4c([nH+]c5ccccc35)CCCC4)c3c(nc2c1)CCCC3,0.0
CC1=C[C@@H]2Cc3[nH+]c4cc(Cl)ccc4c(NCCCCCCCNc4c5c([nH+]c6ccccc46)CCCC5)c3[C@H](C1)C2,0.0
C[N@H+](CCCOc1ccc2c(=O)c3ccccc3oc2c1)Cc1cccc(OC(=O)Nc2ccccc2)c1,0.0
O=C(NCCCCCCCNc1c2c([nH+]c3cc(Cl)ccc13)CCCC2)c1n[nH]c2ccccc12,0.0
O=C(NCCCCCCNc1c2c([nH+]c3cc(Cl)ccc13)CCCC2)c1c[nH]c2ccccc12,0.0
O=C(CCCCCCNc1c2c([nH+]c3cc(Cl)cc(Cl)c13)CCCC2)NCCc1c[nH]c2ccccc12,0.0
O=C(CCOc1c[nH]c2ccccc12)NCCCCCCNc1c2c([nH+]c3cc(Cl)ccc13)CCCC2,0.0
c1ccc2c(CCCCCCCCNc3c4c([nH+]c5ccccc35)CCCC4)c3c([nH+]c2c1)CCCC3,0.0
CNC(=O)Oc1ccc2c(c1)C[N@@H+](CCCOc1ccc3c(=O)c4ccccc4oc3c1)CC2,0.0
c1ccc2c(NCCOCCOCCNc3c4c([nH+]c5ccccc35)CCCC4)c3c([nH+]c2c1)CCCC3,0.0
Clc1cc(Cl)c2c(NCCCCCCCSc3c4c(nc5ccccc35)CCCC4)c3c([nH+]c2c1)CCCC3,0.0
O=C1NC(=O)[C@](CN2Cc3ccc(F)cc3C2=O)(c2ccc(-c3c[nH]c(=O)c(Cl)c3)cc2)N1,0.0
COc1ccc(S(=O)(=O)N2Cc3cc(NC(=O)[C@H]([NH3+])Cc4ccccc4)ccc3C[C@@H]2C(=O)NO)cc1,0.0
COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cccnc4)cc3)NC(=O)NC1=O)C2,0.0
Cc1noc(C)c1-c1ccc([C@]2(CN3Cc4ccc(F)cc4C3=O)NC(=O)NC2=O)cc1,0.0
Cc1cc(COc2ccc(S(=O)(=O)NCc3n[nH]c(=O)[nH]3)cc2)c2ccccc2n1,0.0
O=C1NC(=O)[C@](CN2Cc3cc(OCCC4CCCCC4)ccc3C2=O)(c2ccc(F)cc2)N1,0.0
Cc1cc(COc2ccc(C(=O)NCCC(=O)NO)cc2)c2ccccc2n1,0.0
Cc1ccc2oc(=O)c(C[C@H](Cc3ccccc3)C(=O)NO)cc2c1,0.0
Cc1cc(COc2ccc(C(=O)Nc3ccccc3C(=O)c3c[nH]c(=O)[nH]3)cc2)c2ccccc2n1,0.0
Cc1cc(COc2ccc(C(=O)NCC3(Cc4ccccc4)C(=O)NC(=O)NC3=O)cc2)c2ccccc2n1,0.0
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2c(C(=O)N[O-])cnc3c(C(F)(F)F)cccc23)cc1,0.0
Cc1cc(COc2ccc(C(=O)Nc3ccccc3Cc3n[nH]c(=O)[nH]3)cc2)c2ccccc2n1,0.0
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2c(OCC(=O)NO)cccc2C(=O)NO)cc1,0.0
COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cncnc4)cc3)NC(=O)NC1=O)C2,0.0
COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ccccn4)cc3)NC(=O)NC1=O)C2,0.0
COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cnccn4)cc3)NC(=O)NC1=O)C2,0.0
Cc1cc(COc2ccc3c(c2)CN(C[C@@]2(c4ccc(F)cc4)NC(=O)NC2=O)C3=O)c2ccccc2n1,0.0
Cc1cc(COc2ccc(C3(N4CCN(Cc5ccccc5)CC4)C(=O)NC(=O)NC3=O)cc2)c2ccccc2n1,0.0
O=C(NO)[C@H]1C[C@]1(Cc1ccc(OCc2cc(-c3ccccc3)nc3ccccc23)cc1)C(=O)NCC1CC[NH2+]CC1,0.0
O=C1NC(=O)[C@@](CN2Cc3ccc(F)cc3C2=O)(c2ccccc2Oc2ccccc2)N1,0.0
O=C(NO)[C@H]1Cc2cc(O)c(O)cc2CN1S(=O)(=O)c1ccc(OCCCc2ccccc2)cc1,0.0
Cc1cc(COc2ccc(C(=O)Nc3ccccc3[C@H]3NC(=O)NC3=O)cc2)c2ccccc2n1,0.0
O=C1NC(=O)[C@](CN2Cc3ccc(Cl)cc3C2=O)(c2ccc(F)cc2)N1,0.0
O=C1NC(=O)[C@@](CN2Cc3ccc(F)cc3C2=O)(c2cccc(Oc3ccccc3)c2)N1,0.0
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(S(=O)(=O)C[C@H](C3CCC(=NO)CC3)N(O)C=O)cc2)c2ccccc2n1,0.0
COc1ccc(S(=O)(=O)[C@H](Cc2ccc3ccccc3c2)C(=O)NO)cc1,0.0
COc1ccc(S(=O)(=O)N(Cc2cccnc2)c2c(C(=O)NO)cnc3c2c(C)nn3C)cc1,0.0
O=C(NCc1cc2ccccc2o1)[C@H](O)[C@@H](O)C(=O)N1CCC[C@H]1c1ccccc1,0.0
COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ccc(Cl)cc4)cc3)NC(=O)NC1=O)C2,0.0
COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(OC4CCCC4)cc3)NC(=O)NC1=O)C2,0.0
Cc1cc(COc2ccc(S(=O)(=O)NC[C@@]3(C)NC(=O)NC3=O)cc2)c2ccccc2n1,0.0
CC#CCOc1ccc(S(=O)(=O)N[C@H](Cc2c[nH]c3ccc(OCc4ccccc4)cc23)C(=O)[O-])cc1,0.0
COc1ccc(S(=O)(=O)N(C)c2c(Cn3ccnc3)cccc2C(=O)NO)cc1,0.0
Cc1cc(COc2ccc(C(=O)N[C@@H]3CC4(C[C@@H]3C(=O)NO)OCCO4)cc2)c2ccccc2n1,0.0
Cc1cc(COc2ccc(C(=O)N[C@@H]3C[C@]4(CCCO4)C[C@@H]3C(=O)NO)cc2)c2ccccc2n1,0.0
COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ccnc(C)c4)cc3)NC(=O)NC1=O)C2,0.0
COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4nccs4)cc3)NC(=O)NC1=O)C2,0.0
Cc1cc(COc2ccc(NC(=O)CC[C@H]3NC(=O)NC3=O)cc2)c2ccccc2n1,0.0
COc1ccc(S(=O)(=O)N(Cc2cccnc2)c2c(C(=O)N[O-])cnc3snc(C)c23)cc1,0.0
CC#CCOc1ccc(S(=O)(=O)N(CC(=O)NO)Cc2cccnc2)cc1,0.0
COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cc(-c5ccccc5)no4)cc3)NC(=O)NC1=O)C2,0.0
C[C@H](O)[C@@H](CCc1cccc2ccccc12)n1cnc(C(N)=O)c1,0.0
O=C(OCc1ccccc1)c1cc2c(c(CCn3cnc4c3NC=[NH+]C[C@@H]4O)c1)CCCC2,0.0
Cc1cccc(CC[C@H]([C@H](C)O)n2cnc3c(N)ncnc32)c1,0.0
COC(=O)c1ccc2ccccc2c1CCCn1cnc2c1NC=[NH+]C[C@@H]2O,0.0
Cc1ccc(C[C@H]([C@H](C)O)n2cnc3c(N)ncnc32)cc1,0.0
NC(=O)c1cn([C@@H](CO)CCc2cccc3ccccc23)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)CCc4ccccc4)cc32)cn1,0.0
NC(=O)c1cn([C@@H](CO)CCn2ccc3ccc(NC(=O)CCCCc4ccccc4)cc32)cn1,0.0
NC(=O)c1cn([C@@H](CO)CCn2ccc3ccc(NC(=O)NCc4ccccc4)cc32)cn1,0.0
NC(=O)c1cn([C@@H](CO)CCn2ccc3ccc(OCCCCc4ccccc4)cc32)cn1,0.0
COC(=O)c1c(F)cccc1CCCn1cnc2c1NC=[NH+]C[C@@H]2O,0.0
C[C@H](O)[C@@H](CCCCCc1ccccc1)n1cnc2c(N)ncnc21,0.0
C[C@H](O)[C@@H](CCc1cccc(Cl)c1Cl)n1cnc(C(N)=O)c1,0.0
COC(=O)c1ccccc1CCCn1cnc2c1NC=[NH+]C[C@@H]2O,0.0
Cn1cc(CC[C@H](CO)n2cnc(C(N)=O)c2)c2cc(OCCCc3ccccc3)ccc21,0.0
Cc1ccccc1CCC[C@H]([C@H](C)O)n1cnc2c(N)ncnc21,0.0
CCCc1ccccc1C[C@H]([C@H](C)O)n1cnc2c(N)ncnc21,0.0
NC(=O)c1cn([C@@H](CO)CCn2ccc3ccc(NC(=O)CCc4cccnc4)cc32)cn1,0.0
Cn1c(CCC(=O)Nc2ccc3ccn(CC[C@H](CO)n4cnc(C(N)=O)c4)c3c2)nc2ccccc21,0.0
Cc1ccc(CCCC(=O)Nc2ccc3ccn(CC[C@H](CO)n4cnc(C(N)=O)c4)c3c2)cc1,0.0
COC(=O)c1cccc(CCCn2cnc3c2NC=[NH+]C[C@@H]3O)c1,0.0
NC(=O)c1cn([C@@H](CO)CCn2ccc3ccc(NC(=O)CCCCCc4ccccc4)cc32)cn1,0.0
C[C@H](O)[C@@H](CCc1cccc2nc(-c3ccc(Cl)cc3)oc12)n1cnc(C(N)=O)c1,0.0
C[C@H](O)[C@@H](CCOc1ccc2ccccc2c1)n1cnc(C(N)=O)c1,0.0
C[C@H](O)[C@@H](CCCc1ccccc1)n1cnc2c(N)ncnc21,0.0
NC(=O)c1cn([C@@H](CO)CCn2ccc3ccc(OCCCc4ccc(Cl)cc4)cc32)cn1,0.0
C[C@H](O)[C@@H](CCCCc1ccccc1)n1cnc2c(N)ncnc21,0.0
NC(=O)c1cn([C@@H](CO)CCn2ccc3ccc(OCCCc4ccccc4)cc32)cn1,0.0
COc1ccc(CCC(=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](COCCc1ccccc1)n1cnc2c(N)ncnc21,0.0
CCCCCCOc1ccc2ccn(CC[C@H](CO)n3cnc(C(N)=O)c3)c2c1,0.0
CCCCCCOc1ccc2c(c1)c(CC[C@H](CO)n1cnc(C(N)=O)c1)cn2C,0.0
Cn1cc(CC[C@H](CO)n2cnc(C(N)=O)c2)c2cc(OCCCc3ccc(Cl)cc3)ccc21,0.0
COC(=O)c1cc(C)ccc1CCCn1cnc2c1NC=[NH+]C[C@@H]2O,0.0
COC(=O)c1ccc(C)cc1CCCn1cnc2c1NC=[NH+]C[C@@H]2O,0.0
OC[C@@H]1O[C@H](n2cnc3c2N=CCC[C@H]3O)[C@@H](O)[C@H]1O,0.0
COC(=O)c1ccc(C)c(CCCn2cnc3c2NC=[NH+]C[C@@H]3O)c1,0.0
CCOC(=O)c1cc(CCn2cnc3c2NC=[NH+]C[C@@H]3O)c2c(c1Br)CCCC2,0.0
OC[C@H]1O[C@@H](n2cnc3c2N=CCC[C@H]3O)C[C@H]1O,0.0
CCCCOc1ccc2ccn(CC[C@H](CO)n3cnc(C(N)=O)c3)c2c1,0.0
OC[C@H]1O[C@H](n2cnc3c2NC=[NH+]C[C@H]3O)C[C@H]1O,0.0
Nc1cc[nH+]c2c1ncn2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O,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(-c2ccc(CC[NH2+]C[C@H](O)c3ccccc3)cc2)cc1Oc1ccccc1,0.0
N#CN/C(=N\c1cccc2ccccc12)Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1,0.0
O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)COc2ccc(O)cc2)cc1)c1cnc2ccccc2c1,0.0
O=[N+]([O-])[CH-]/C(=N/c1ccc2ccccc2c1)Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1,0.0
O=C(C[C@H]1C=Nc2ccccc21)Nc1ccc(CC[NH2+]C[C@H](O)COc2ccc(O)cc2)cc1,0.0
CS(=O)(=O)/N=C(\[O-])c1ccc(-c2ccc(CC[NH2+]C[C@H](O)c3ccccc3)cc2)cc1CC1CCCCC1,0.0
C[C@H](Cc1c[nH]c2c(OCc3ccccc3)cccc12)[NH2+]C[C@H](O)c1cccc([N-]S(=O)(=O)c2cccs2)c1,0.0
O=C(Nc1ccc(CC[NH2+]C[C@H](O)COc2ccc(O)cc2)cc1)C(c1ccccc1)c1ccccc1,0.0
CS(=O)(=O)/N=C(\[O-])c1ccc(-c2ccc(CC[NH2+]C[C@H](O)c3ccccc3)cc2)cc1SC1CCCCC1,0.0
O=C([O-])c1ccc(-c2ccc(OCC[NH2+]C[C@H](O)c3cccc(Cl)c3)cc2)cc1OC1CCCCC1,0.0
CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)[NH2+]C[C@H](O)COc1cccc2c1C1(CC1)C(=O)N2,0.0
Cn1c(=O)[nH]c2cccc(OC[C@@H](O)C[NH2+]C(C)(C)Cc3ccc(Oc4ccc(C(N)=O)cn4)cc3)c21,0.0
O=C(Cc1[nH+]ccn1Cc1ccc2ccccc2c1)Nc1ccc(CC[NH2+]C[C@H](O)COc2ccccc2)cc1,0.0
O=C(Cc1ccccn1)Nc1ccc(CC[NH2+]C[C@H](O)COc2cccc3[nH]c4ccccc4c23)cc1,0.0
CS(=O)(=O)/N=C(\[O-])c1ccc(-c2ccc(CC[NH2+]C[C@H](O)c3ccccc3)cc2)cc1OC1CCCCCC1,0.0
CS(=O)(=O)/N=C(\[O-])c1ccc(-c2ccc(CC[NH2+]C[C@H](O)c3ccccc3)cc2)cc1NC1CCCCC1,0.0
O=C(Cc1ccc2ccccc2c1)Nc1ccc(CC[NH2+]C[C@H](O)COc2ccc(O)cc2)cc1,0.0
NC(=O)c1cccc(/N=C(/[CH-][N+](=O)[O-])Nc2ccc(CC[NH2+]C[C@H](O)c3cccnc3)cc2)c1,0.0
C[C@H](Cc1cccc(Oc2cccc(C(=O)[O-])c2)c1)[NH2+]C[C@H](O)c1cccc(Cl)c1,0.0
C[C@@H]([NH2+]C[C@H](O)c1ccc([O-])c2[nH]c(=O)sc12)c1ccc2ccccc2c1,0.0
O=C([O-])c1cc(NC2CCCCC2)cc(Oc2ccc3c(c2)C[C@@H]([NH2+]C[C@H](O)c2cccc(Cl)c2)CC3)c1,0.0
O=C(Cc1cccc2ccccc12)Nc1ccc(CC[NH2+]C[C@H](O)COc2ccc(O)cc2)cc1,0.0
O[C@@H](C[NH2+]CCOc1ccc(-c2coc(COCc3ccccc3)n2)cc1)c1cccnc1,0.0
CS(=O)(=O)[N-]c1ccc(C(=O)NCC[NH2+]C[C@@H](O)COc2cccc3ccccc23)cc1,0.0
O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)COc2ccc(O)cc2)cc1)c1ccccc1Cl,0.0
O=C([O-])c1ccc(Nc2ccc(CC[NH2+]C[C@H](O)c3cccc(Cl)c3)cc2)cc1,0.0
O=S(=O)(Cc1ccccc1)Nc1ccc(CC[NH2+]C[C@H](O)COc2ccc(O)cc2)cc1,0.0
C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)[NH2+]C[C@H](O)c1cccc(NCc2ccc3ccccc3c2)c1,0.0
O=S(=O)(Nc1ccccc1)c1ccc2c(c1)CCN2c1noc(CCCC2CCCC2)n1,0.0
O=C(Cc1cc2ccccc2c[nH+]1)Nc1ccc(CC[NH2+]C[C@H](O)COc2ccc(O)cc2)cc1,0.0
O=C([O-])c1ccc(Oc2ccc(CC[NH2+]C[C@H](O)c3cccc(Cl)c3)cc2)nc1,0.0
O=C(Cc1cn(Cc2ccccc2)c[nH+]1)Nc1ccc(CC[NH2+]C[C@H](O)COc2ccccc2)cc1,0.0
O=c1[nH]c2c([O-])ccc([C@@H](O)C[NH2+][C@H]3CCCc4ccccc43)c2s1,0.0
O=S(=O)(CCc1ccccc1)[N-]c1ccc(CC[NH2+]C[C@H](O)COc2ccc(O)cc2)cc1,0.0
C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)[NH2+]C[C@H](O)c1cccc(NC(=O)c2ccccc2)c1,0.0
O=C([O-])COc1ccc(Cc2ccc(CC[NH2+]C[C@H](O)c3cccc(Cl)c3)cc2)cc1,0.0
O=S(=O)(Nc1ccccc1)c1ccc(CC[NH2+]C[C@@H](O)COc2ccccc2)cc1,0.0
C[C@H](Cc1ccc(-c2ccc(C(=O)[O-])c(OC3CCCCC3)c2)cc1)[NH2+]C[C@H](O)c1ccccc1,0.0
C[C@H](Cc1ccc(-c2ccc(C(=O)[O-])c(OC3CCCCC3)c2)cc1)[NH2+]C[C@H](O)c1cccnc1,0.0
CC(C)Cc1cc(-c2ccc(OCC[NH2+]C[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)[O-],0.0
O=C(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)OCc1nc2ccccc2[nH]1,0.0
O=CNc1cc([C@@H](O)C[NH2+]CCc2ccc(OC3Cc4ccccc4C3)cc2)ccc1O,0.0
N#CN/C(=N\c1cccc2ccccc12)Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1,0.0
O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)COc2ccc(O)cc2)cc1)c1cnc2ccccc2c1,0.0
O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)COc2ccc(O)cc2)cc1)c1ccc2ccccc2c1,0.0
O=C1c2cccc3cccc(c23)C(=O)N1[C@H]1CC[N@H+](C[C@H](O)COc2cccc3[nH]c4ccccc4c23)CC1,0.0
C[C@H](Cc1cccc2ccccc12)[NH2+]C[C@H](O)c1cc(O)cc(O)c1,0.0
O=[N+]([O-])[CH-]/C(=N/c1cccc2ccccc12)Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1,0.0
C[C@H](Cc1c[nH]c2c(OCc3ccccc3)cccc12)[NH2+]C[C@H](O)c1cccc([N-]S(=O)(=O)c2cccs2)c1,0.0
C[NH+](C)CC/C=C1/c2ccccc2COc2ccccc21,0.0
CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)[NH2+]C[C@H](O)COc1cccc2c1C1(CC1)C(=O)N2,0.0
O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)COc2cccnc2)cc1)c1cnc2ccccc2c1,0.0
O=c1[nH]c2c([O-])ccc([C@@H](O)C[NH2+][C@@H]3CCCc4ccccc43)c2s1,0.0
C[C@H](Cc1c[nH]c2c(S(C)(=O)=O)cccc12)[NH2+]C[C@H](O)c1cccc(NS(=O)(=O)c2cccc(N)c2)c1,0.0
C[C@@H]([NH2+]C[C@H](O)c1ccc([O-])c2[nH]c(=O)sc12)c1ccc2ccccc2c1,0.0
CS(=O)(=O)[N-]c1ccc(C(=O)NCC[NH2+]C[C@@H](O)COc2cccc3ccccc23)cc1,0.0
O=CNc1cc([C@@H](O)C[NH2+]CCc2ccc(OCCCCc3ccccc3)cc2)ccc1O,0.0
O=S(=O)(Cc1ccccc1)Nc1ccc(CC[NH2+]C[C@H](O)COc2ccc(O)cc2)cc1,0.0
C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)[NH2+]C[C@H](O)c1cccc(NCc2ccc3ccccc3c2)c1,0.0
O=S(=O)(Nc1ccccc1)c1ccc2c(c1)CCN2c1noc(CCCC2CCCC2)n1,0.0
O=CNc1cc([C@@H](O)C[NH2+]CCc2ccc(OCCc3ccccc3)cc2)ccc1O,0.0
O=S(=O)(CCc1ccccc1)[N-]c1ccc(CC[NH2+]C[C@H](O)COc2ccc(O)cc2)cc1,0.0
O=C(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2ccccc2)cc1,0.0
C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)[NH2+]C[C@H](O)c1cccc(NC(=O)c2ccccc2)c1,0.0
C[C@H](Cc1ccc2[nH]c(C(=O)NCC3CCC3)cc2c1)[NH2+]C[C@H](O)c1ccc(O)c(CO)c1,0.0
O=S(=O)(Nc1ccccc1)c1ccc(CC[NH2+]C[C@@H](O)COc2ccccc2)cc1,0.0
O=CNc1cc([C@@H](O)C[NH2+]CCc2ccc(OCCCc3ccccc3)cc2)ccc1O,0.0
CC(C)Nc1cc(-c2ccc(CC[NH2+]C[C@H](O)c3ccccc3)cc2)ccc1C(=O)[O-],0.0
O=CNc1cc([C@@H](O)C[NH2+]CCc2cccc(OCCCOc3ccccc3)c2)ccc1O,0.0
O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(Cc3cccc(F)c3)n2)cc1,0.0
O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(Cc3cccc(F)c3)n2)cc1,0.0
O=C(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1cccc2ccnn12,0.0
O=CNc1cc([C@@H](O)C[NH2+]CCc2cccc(OCCCCc3ccccc3)c2)ccc1O,0.0
C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)[NH2+]C[C@H](O)c1cccc(NC/C=C/c2ccccc2)c1,0.0
N#CN/C(=N\c1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)Nc1cccc(C(N)=O)c1,0.0
O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)COc2ccccc2)cc1)c1ccccc1,0.0
C[NH2+]CCC=C1c2ccccc2CCc2ccccc21,0.0
C[C@H](CCCCNC(=O)OCc1ccccc1)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1,0.0
CC(C)(Cc1c[nH]c2ccccc12)[C@H]1C(=O)Nc2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)cc21,0.0
O=C1Cc2ccc(N[C@H](COc3cncc(-c4ccc5c(n4)NC(=O)C5)c3)Cc3c[nH]c4ccccc34)nc2N1,0.0
O=C1Cc2cc(N[C@H](COc3cncc(-c4ccc5c(c4)CC(=O)N5)c3)Cc3c[nH]c4ccccc34)ccc2N1,0.0
c1ccc2c(C[C@@H](COc3cncc(-c4ccc5nonc5c4)c3)Nc3ccc4nonc4c3)c[nH]c2c1,0.0
O=c1[nH]c2ccc(N[C@H](COc3cncc(-c4ccc5[nH]c(=O)[nH]c5c4)c3)Cc3c[nH]c4ccccc34)cc2[nH]1,0.0
O=c1[nH]c2ccc(N[C@H](COc3cncc(-c4ccc5[nH]c(=O)oc5c4)c3)Cc3c[nH]c4ccccc34)cc2o1,0.0
[NH3+][C@H](COc1cncc(-c2ccc3[nH]nc(-c4ccccc4)c3c2)c1)Cc1c[nH]c2ccccc12,0.0
CC(C)(Cc1cccnc1)[C@H]1C(=O)Nc2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)cc21,0.0
Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4ccc5c(c4)OC(F)(F)C(F)(F)O5)c3)cc12,0.0
O=C1Nc2ccc(N[C@H](COc3cncc(-c4ccc5c(c4)C(=O)C(=O)N5)c3)Cc3c[nH]c4ccccc34)cc2C1=O,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
CC(C)(Cc1ccccn1)[C@H]1C(=O)Nc2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)cc21,0.0
CC(C)(Cc1cc[nH]c1)[C@H]1C(=O)Nc2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)cc21,0.0
CC(C)(Cc1cccs1)[C@H]1C(=O)Nc2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)cc21,0.0
[NH3+][C@H](COc1cncc(-c2ccc3cnc(C#Cc4ccccc4)cc3c2)c1)Cc1c[nH]c2ccccc12,0.0
[NH3+][C@H](COc1cnc(-c2ccco2)c(-c2ccc3cnccc3c2)c1)Cc1c[nH]c2ccccc12,0.0
CC(C)(Cc1ccc[nH]1)[C@H]1C(=O)Nc2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)cc21,0.0
[NH3+][C@H](COc1cncc(-c2ccc3c(c2)[C@@H](c2ccco2)C(=O)N3)c1)Cc1c[nH]c2ccccc12,0.0
COc1cc2ncc3c(N)nc(-c4cncc(OC[C@@H]([NH3+])Cc5c[nH]c6ccccc56)c4)cc3c2cc1OC,0.0
CC(C)(Cc1ccco1)[C@H]1C(=O)Nc2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)cc21,0.0
[NH3+][C@H](COc1cncc(-c2ccc3[nH]nc(-c4ccc[nH]4)c3c2)c1)Cc1c[nH]c2ccccc12,0.0
[NH3+][C@H](COc1cncc(-c2ccc3[nH]nc(-c4cccs4)c3c2)c1)Cc1c[nH]c2ccccc12,0.0
O=c1[nH]c2ccc(N[C@H](COc3cncc(-c4ccc5[nH]c(=O)sc5c4)c3)Cc3c[nH]c4ccccc34)cc2s1,0.0
[NH3+][C@H](COc1cncc(-c2ccc3c(c2)[C@@H](C2CC2)C(=O)N3)c1)Cc1c[nH]c2ccccc12,0.0
CC(C)(Cc1[nH]cc[nH+]1)[C@H]1C(=O)Nc2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)cc21,0.0
[NH3+][C@H](COc1cncc(-c2ccc3c(c2)CC(=O)N3)c1)Cc1ccccc1,0.0
[NH3+][C@H](COc1cncc(-c2ccc3cnccc3c2)c1)Cc1csc2ccccc12,0.0
Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4ccc5ccccc5c4)c3)cc12,0.0
[NH3+][C@H](COc1cncc(-c2ccc3c(c2)[C@@H](c2ccccc2)C(=O)N3)c1)Cc1c[nH]c2ccccc12,0.0
Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4cccc(OCC5CC[NH2+]CC5)c4)c3)cc12,0.0
[NH3+][C@H](COc1cncc(-c2ccc3c(c2)[C@@H](c2c[nH]c4ccccc24)C(=O)N3)c1)Cc1c[nH]c2ccccc12,0.0
[NH3+][C@H](COc1cncc(-c2ccc3[nH]nc(N4CCOCC4)c3c2)c1)Cc1c[nH]c2ccccc12,0.0
[NH3+][C@H](COc1cncc(-c2ccc3cnccc3c2)c1)Cc1ccccc1,0.0
[NH3+][C@H](COc1cncc(-c2ccc3cnc(-c4ccco4)cc3c2)c1)Cc1c[nH]c2ccccc12,0.0
NC1(C(=O)NCc2ccc(Cl)cc2)CCN(c2ccnc3[nH]ccc23)CC1,0.0
[NH3+][C@H](COc1cncc(-c2ccc3c(c2)[C@@H](Cc2ccco2)C(=O)N3)c1)Cc1ccccc1,0.0
CC(C)(CC1CC1)[C@H]1C(=O)Nc2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)cc21,0.0
Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4cccc(OCCC5CC[NH2+]CC5)c4)c3)cc12,0.0
[NH3+][C@H](COc1cncc(-c2ccc3c(c2)[C@@H](c2ccc[nH]2)C(=O)N3)c1)Cc1c[nH]c2ccccc12,0.0
Cc1n[nH]c2cnc(-c3cncc(OC[C@@H]([NH3+])Cc4cccc(OCC5CC[NH2+]CC5)c4)c3)cc12,0.0
[NH3+][C@H](COc1cncc(-c2ccc3c(c2)[C@@H](c2[nH]cc[nH+]2)C(=O)N3)c1)Cc1c[nH]c2ccccc12,0.0
[NH3+][C@H](COc1cncc(-c2ccc3c(c2)[C@@H](c2cccnc2)C(=O)N3)c1)Cc1c[nH]c2ccccc12,0.0
[NH3+][C@H](COc1cncc(-c2ccc3[nH]nc(-c4nccs4)c3c2)c1)Cc1c[nH]c2ccccc12,0.0
CC(C)(Cc1ccccc1)[C@H]1C(=O)Nc2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)cc21,0.0
[NH3+][C@H](COc1cncc(-c2ccc3cnc(-c4ccncc4)cc3c2)c1)Cc1c[nH]c2ccccc12,0.0
[NH3+][C@H](COc1cncc(-c2cc3c(-c4ccccc4)n[nH]c3cn2)c1)Cc1ccccc1,0.0
[NH3+]C1(CNC(=O)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1,0.0
NC1(C(=O)NCc2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1,0.0
NC1(C(=O)NCc2ccc(Cl)cc2)CCN(c2ccnc3[nH]ccc23)CC1,0.0
Cc1n[nH]c2ccc(-c3cc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)cnc3-c3ccoc3)cc12,0.0
NC(=O)Nc1ccc2c(c1)/C(=C/c1cc(-c3cccc(C(=O)NCC[NH+]4CCCCC4)c3)c[nH]1)C(=O)N2,0.0
[NH3+]C1(Cc2ccc3ccccc3c2)CCN(c2ncnc3[nH]ccc23)CC1,0.0
[NH3+][C@H](COc1cncc(/C=C/c2ccncc2)c1)Cc1c[nH]c2ccccc12,0.0
[NH3+]C1(COCc2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1,0.0
C#Cc1ncc(OC[C@@H]([NH3+])Cc2c[nH]c3ccccc23)cc1-c1ccc2cnccc2c1,0.0
C/C(=C1/C(=O)Nc2ccc(NC(N)=O)cc21)c1cc(CNC(=O)CC[NH+]2CCCCC2)c[nH]1,0.0
CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)nc(OC[C@H]([NH3+])c3ccccc3)cc21,0.0
CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCCC[NH2+]CCc3ccc(OC)cc3)c21,0.0
[NH3+][C@H](Cc1ccccc1)c1ccc(-c2ncnc3nc[nH]c23)cc1,0.0
[NH3+]C1(c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1,0.0
O=c1[nH]c2ccccc2n1[C@H]1CC[N@H+](Cc2ccc(-c3nc4cc5nc[nH]c5cc4nc3-c3ccccc3)cc2)CC1,0.0
c1ccc(-c2cc3cccnc3nc2-c2ccc(C[N@H+]3CC[C@H](c4cc(-c5ccccn5)[nH]n4)CC3)cc2)cc1,0.0
[NH3+]C[C@H](c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1,0.0
O=c1[nH]c2ccccc2n1[C@H]1CC[N@H+](Cc2ccc(-c3ncc(-c4nnn[n-]4)cc3-c3ccccc3)cc2)CC1,0.0
[NH3+]C1(c2ccc(Cl)cc2)CCN(c2ncnc3[nH]cnc23)CC1,0.0
Nc1ncnc2nc(-c3ccc(C[N@H+]4CC[C@H](n5cnc6c(N)ncnc65)CC4)cc3)c(-c3ccccc3)cc12,0.0
CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCC[C@@H]([NH3+])Cc3ccccc3)c21,0.0
CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)nc(C[NH+]3CCCC3)cc21,0.0
[NH3+]CC1(c2ccc(Cl)cc2)CCN(c2ccnc3[nH]ccc23)CC1,0.0
Nc1ncnc2nc(-c3ccc(C[N@H+]4CC[C@H](n5c(=O)[nH]c6ccccc65)CC4)cc3)c(-c3ccccc3)cc12,0.0
CCn1c(-c2nonc2N)nc2cncc(CNC3CC[NH2+]CC3)c21,0.0
C/C(=C1/C(=O)Nc2ccc(NC(N)=O)cc21)c1cc(CNC(=O)c2ccncc2)c[nH]1,0.0
c1ccc(-c2cc3cccnc3nc2-c2ccc(C[N@H+]3CC[C@H](c4cc(-c5cccnc5)[nH]n4)CC3)cc2)cc1,0.0
CSc1ncc2cc(-c3ccccc3)c(-c3ccc(C[NH2+]CCC(=O)c4ccccc4N)cc3)nc2n1,0.0
Cc1nc2ccccc2n1[C@H]1CC[N@H+](Cc2ccc(-c3nc4ncnc(N)c4cc3-c3ccccc3)cc2)CC1,0.0
CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OC3CC[NH2+]CC3)c21,0.0
Cc1n[nH]c2cnc(-c3cc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)cnc3-c3ccoc3)nc12,0.0
O=S(=O)(NCC[NH2+]C/C=C/c1ccc(Br)cc1)c1cccc2cnccc12,0.0
[NH3+]C1(Cc2ccc(Cl)cc2)CCN(c2ccnc3[nH]ccc23)CC1,0.0
CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)nc(O[C@@H](CC[NH3+])c3ccccc3)cc21,0.0
[NH3+]CC1(Cc2ccc(Cl)cc2)CCN(c2ncnc3[nH]cnc23)CC1,0.0
CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OC[C@@H]3CC[NH2+]C3)c21,0.0
CSc1ncc2cc(-c3ccccc3)c(-c3ccc(CNCCc4nnc(N)s4)cc3)nc2n1,0.0
NC(=O)Nc1ccc2c(c1)/C(=C/c1cc(C(=O)NCCc3ccncc3)c[nH]1)C(=O)N2,0.0
Nc1ncnc2nc(-c3ccc(C[N@H+]4CC[C@H](c5nc6ccc(F)cc6[nH]5)CC4)cc3)c(-c3ccccc3)cc12,0.0
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,0.0
O=S(=O)(c1ccc2ccccc2c1)c1ccc([O-])nn1,0.0
O=c1ccc(S(=O)(=O)c2oc3ccccc3c2-c2ccccc2)n[nH]1,0.0
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-])Cc1cccc(Cc2nc3c(F)c(F)cc(F)c3s2)c1,0.0
O=C1NC(=O)[C@@]2(CN(Cc3ccc(F)cc3)c3ccc(F)cc32)N1,0.0
O=C1N=C([O-])CC12c1cc(F)ccc1-c1ccc(F)cc12,0.0
O=C([O-])Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2ccc(-c3ccccc3)cc21,0.0
O=C([O-])Cc1ccc2c(c1)OCc1ccccc1C2=O,0.0
O=C([O-])Cc1nn(Cc2nc3ccccc3s2)c(=O)c2cc3ccccc3cc12,0.0
O=C([O-])Cc1ccc2c(c1)SCc1ccccc1C2=O,0.0
O=C([O-])Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2cc(-c3ccccc3)ccc21,0.0
O=c1ccc(S(=O)(=O)c2nc3ccccc3s2)n[nH]1,0.0
O=C1NC(=O)C2(N1)c1cc(F)ccc1-c1ccc(F)cc12,0.0
O=C([O-])Cn1ccc(=O)n(Cc2ccc(Cl)c([N+](=O)[O-])c2)c1=O,0.0
O=C([O-])CN1C(=O)c2cccc3cc(N=C=S)cc(c23)C1=O,0.0
O=c1ccc(S(=O)(=O)c2cc3cc(Cl)cc(Cl)c3[nH]2)n[nH]1,0.0
C[C@@H]1C[C@]2(NC(=O)NC2=O)c2cc(Cl)c[n+]([O-])c2O1,0.0
O=C([O-])Cc1nn(Cc2ccc(Br)cc2F)c(=O)c2cc3ccccc3cc12,0.0
O=C1NC(=O)[C@@H](c2cc(Cl)ccc2S(=O)(=O)[N-]c2ccc(F)cc2)N1,0.0
O=C([O-])CN1CC(=O)N(Cc2nc3c(Cl)cccc3s2)C1=O,0.0
Cc1ccccc1-c1noc(Cn2nc(CC(=O)[O-])c3ccccc3c2=O)n1,0.0
O=C([O-])Cc1nn(Cc2cc3cccnc3s2)c(=O)c2ccccc12,0.0
O=S(=O)(Cc1c(F)cccc1Cl)c1ccc([O-])nn1,0.0
O=C([O-])Cc1cc(=O)oc2ccc3ccccc3c12,0.0
O=C([O-])Cc1nn(Cc2snc3ccccc23)c(=O)c2ccccc12,0.0
O=C([O-])Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2ccccc21,0.0
C[C@@H]1C[C@]2(NC(=O)NC2=O)c2cc(Cl)cnc2O1,0.0
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](Cc1cn[nH]n1)Cc1cccc3ccccc13)C2=O,0.0
O=C([O-])c1ccc2c(c1)C(=O)N([C@H](Cc1cccc3ccccc13)C(=O)[O-])C2=O,0.0
O=C([O-])[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O,0.0
O=C([O-])c1ccc2c(c1)C(=O)N([C@H](Cc1c[nH]c3ccccc13)C(=O)[O-])C2=O,0.0
NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])cc1,0.0
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](Cc1ccccc1)C(=O)[O-])C2=O,0.0
O=C([O-])c1cccc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])c1,0.0
O=C([O-])c1sccc1NS(=O)(=O)c1ccc(Cl)cc1,0.0
O=C([O-])c1ccccc1C(=O)Nc1ccc(Cl)cc1,0.0
O=C([O-])c1sccc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1,0.0
O=C([O-])c1ccc(NS(=O)(=O)c2ccsc2C(=O)[O-])c(O)c1,0.0
O=C([O-])c1ccc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])cc1,0.0
O=C([O-])c1sccc1S(=O)(=O)[N-]c1ccccc1[N+](=O)[O-],0.0
O=C([O-])c1ccccc1S(=O)(=O)Nc1ccc(Cl)cc1,0.0
O=C([O-])c1ccc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])cc1Cl,0.0
O=C([O-])[C@H]1CC(=O)N(c2ccccc2O)C1,0.0
O=C([O-])c1sccc1S(=O)(=O)[N-]c1ccccc1[NH+]1CCCCC1,0.0
CC(C)C[C@H](C(=O)[O-])N1C(=O)c2ccc(C(=O)[O-])cc2C1=O,0.0
COC(=O)c1sccc1S(=O)(=O)[N-]c1ccc(Cl)c(Cl)c1,0.0
O=C([O-])c1sccc1S(=O)(=O)NCc1ccccc1,0.0
O=C([O-])c1ccc2c(c1)C(=O)N([C@H](Cc1ccc(O)cc1)C(=O)[O-])C2=O,0.0
O=C([O-])c1sccc1S(=O)(=O)[N-]c1ccc(Cl)c(Cl)c1,0.0
O=C([O-])c1sccc1S(=O)(=O)[N-]c1ccc(Cl)cc1,0.0
CSCC[C@H](C(=O)[O-])N1C(=O)c2ccc(C(=O)[O-])cc2C1=O,0.0
Cc1oc(C)c(S(=O)(=O)Nc2cccs2)c1C(=O)[O-],0.0
O=C([O-])CCSc1nc2ccccc2s1,0.0
O=C(C[C@@H](Nc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1)c1ccc(-c2ccccc2)cc1,0.0
O=C1[C@@H]2[C@H](C(=O)N1c1ccc3ccccc3c1)[C@H]1C=C[C@@H]2C1,0.0
Cc1c([N-]S(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccccc1,0.0
O=c1cc(C(F)(F)F)c2c3c(ccc2[nH]1)-c1ccccc1CO3,0.0
Cc1ccc(C(=O)C[C@@H](Nc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1,0.0
CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ncccc1C)Oc1ccc(F)cc1-3,0.0
O=C1[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)N1c1ccc2ccccc2c1,0.0
O=C(C[C@@H](Nc1ccc([N+](=O)[O-])cc1)C1CCCCC1)c1ccc(Br)cc1,0.0
C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12,0.0
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O,0.0
C[C@](O)(COC(=O)c1ccc(-c2ccccc2)cc1)c1cc2cc([N+](=O)[O-])c(C(F)(F)F)cc2[nH]1,0.0
CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1OCC#CCc1ccc(O)c(C(N)=O)c1,0.0
O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)OCCN3Cc1ccccc1,0.0
O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)N[C@@H]1CCCC[C@H]31,0.0
O=C(C[C@H](Nc1ccc([N+](=O)[O-])cc1)c1ccco1)c1ccc(Cl)cc1,0.0
O=c1cc(-c2ccccc2)oc2cccc(O)c12,0.0
Cn1c2c(c3ccc(O)cc31)CCc1ccccc1-2,0.0
C[N@@H+]1CC[C@H](N(Cc2ccccc2C(F)(F)F)c2ccc(C#N)c(Cl)c2)C1,0.0
O=C1C=C(C(F)(F)F)[C@@H]2C=C(N(Cc3ccccc3)CC(F)(F)F)C=C[C@@H]2N1,0.0
O=C1[C@@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@@H]34)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1,0.0
O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)OC[C@H]1CCCN31,0.0
O=C(C[C@H](Nc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1)c1ccc(N2CCOCC2)cc1,0.0
Cc1cc(-c2cc(F)c(F)c3cc[nH]c23)c(Cl)c2c1NC(C)(C)C[C@@H]2C,0.0
C[C@H]1C(=O)C(C)(C)Nc2ccc3c(c21)/C(=C/c1cccc(F)c1)Oc1ccccc1-3,0.0
CC[C@@H]1CCC2=C[C@H]3C(C(F)(F)F)=CC(=O)N[C@H]3CC2=N1,0.0
Cn1cc(N(Cc2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1C(=O)N1CCCC1,0.0
O=C1C=C(C(F)(F)F)[C@H]2C=C/C(=N\C3CCCC3)C[C@H]2N1,0.0
C[C@](O)(COC(=O)c1ccccc1C(F)(F)F)c1cc2cc([N+](=O)[O-])c(C(F)(F)F)cc2[nH]1,0.0
C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@@]21C,0.0
O=C1[C@@H]2[C@H](C(=O)N1c1ccc(Br)c(C(F)(F)F)c1)[C@H]1C=C[C@@H]2C1,0.0
C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)c1cc2cc(Cl)c(C(F)(F)F)cc2[nH]1,0.0
O=C1C=C(C(F)(F)F)[C@H]2C=C/C(=N\Cc3ccccc3)C[C@H]2N1,0.0
Cn1c(=O)cc(C(F)(F)F)c2cc3c(cc21)N[C@@H]1CCCC[C@H]31,0.0
O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12,0.0
Cc1c(C)c2ccc(OCc3cc(C4CC4)on3)cc2oc1=O,0.0
Cc1cc2c(nn1)-c1cc(OCCCC(F)(F)F)ccc1C2=O,0.0
Cc1c(C)c2ccc(OCc3nc(C(C)C)no3)cc2oc1=O,0.0
Cc1c(C)c2ccc(OCc3nnc(C(C)C)s3)cc2oc1=O,0.0
Cc1c(C)c2ccc(OCc3ccc(F)cc3)cc2oc1=O,0.0
Cc1nnc(COc2ccc3c(C)c(C)c(=O)oc3c2)o1,0.0
O=C(Nc1c(F)c(F)nc(F)c1F)c1cc2ccccc2oc1=O,0.0
O=c1cc(-c2ccccc2)oc2cc(O)ccc12,0.0
C=C(Br)COc1ccc2c(oc(=O)c3ccccc32)c1C,0.0
O=C1c2ccccc2-c2nnc(-c3cccc([N+](=O)[O-])c3)nc21,0.0
CN(CCCc1ccccc1)C(=O)c1cc2ccccc2n1C,0.0
Cc1c(C)c2ccc(OCc3ccccn3)cc2oc1=O,0.0
O=C1Nc2ccc(/C=C/c3ccccc3)cc2C1=O,0.0
NC(=O)[C@@H]1CCC[N@H+]1Cc1cc(=O)oc2cc(OCc3ccccc3)ccc12,0.0
C[N@H+](CCCc1ccccc1)Cc1cc2ccccc2[nH]1,0.0
C=C(Br)COc1ccc2c3c(c(=O)oc2c1C)CCCC3,0.0
C[N@H+](CCc1ccccc1)Cc1cc2ccccc2[nH]1,0.0
COc1ccc2c(c1)C(=O)c1ccc(-c3nnn(C)n3)cc1S2(=O)=O,0.0
O=C(NC1CCCCC1)c1cc2ccccc2oc1=O,0.0
C[N@H+](Cc1ccccc1)Cc1cc2ccccc2[nH]1,0.0
O=C(NCc1ccccc1)c1cc2ccc(OCc3ccccc3)cc2oc1=O,0.0
c1ccc(NCc2cc3ccccc3[nH]2)cc1,0.0
O=C(NCc1ccccc1)c1cc2ccccc2[nH]1,0.0
O=C1CCc2cc(OCCCC(F)(F)F)ccc21,0.0
COc1cccc(-c2csc(N/N=C/c3c[nH]c4ccccc34)n2)c1,0.0
CN(CCc1ccccc1)C(=O)c1cc2ccccc2n1C,0.0
CN1C(=[NH2+])N[C@@](c2cccc(-c3cccnc3)c2)(c2ccc3c(c2)CCO3)C1=O,0.0
CN1C(=[NH2+])N[C@@](c2cccc(-c3cccnc3)c2)(c2ccc3c(c2)OCCO3)C1=O,0.0
CN1C(=[NH2+])N[C@@](c2cccc(-c3cccnc3)c2)(c2ccc3c(c2)OCO3)C1=O,0.0
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C1(c2cccc([C@]3(C)CCCO3)c2)CC1,0.0
c1ccc(-c2ccc(COc3ccc4c(c3)CC[C@@H](CC[NH+]3CCCCC3)C4)cc2)cc1,0.0
CCc1c[nH]c2c(N3CCCC3=O)cc(C(=O)N[C@@H](Cc3ccccc3)[C@H](O)C[NH2+]Cc3cccc(C(F)(F)F)c3)cc12,0.0
COc1ccc(-c2cc(=O)c3c(O)cc(O)c(-c4cc(-c5cc(=O)c6c(O)cc(O)cc6o5)ccc4O)c3o2)cc1,0.0
CCc1coc2c(N3CCCC3=O)cc(C(=O)N[C@@H](Cc3ccccc3)[C@H](O)C[NH2+]Cc3cccc(C(F)(F)F)c3)cc12,0.0
CCn1ccc2c(N3CCCC3=O)cc(C(=O)N[C@@H](Cc3ccccc3)[C@H](O)C[NH2+]Cc3cccc(C(F)(F)F)c3)cc21,0.0
O=C(Nc1cc(-c2ccccc2)ccc1N1CC[NH2+]CC1)c1cc2ccccc2oc1=O,0.0
CCn1ncc2c(N3CCCC3=O)cc(C(=O)N[C@@H](Cc3ccccc3)[C@H](O)C[NH2+]Cc3cccc(C(F)(F)F)c3)cc21,0.0
CCn1nnc2c(N3CCCC3=O)cc(C(=O)N[C@@H](Cc3ccccc3)[C@H](O)C[NH2+]Cc3cccc(C(F)(F)F)c3)cc21,0.0
CCn1cnc2c(N3CCCC3=O)cc(C(=O)N[C@@H](Cc3ccccc3)[C@H](O)C[NH2+]Cc3cccc(C(F)(F)F)c3)cc21,0.0
COc1cccc(C[NH2+]C[C@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cccc(C(=O)N[C@@H](C)c3ccccc3)c2)c1,0.0
CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2(c3cccc(OC)c3)CCCCC2)cc(N2CCCC2=O)c1,0.0
O=C(/N=c1/[nH]cc(-c2ccc(F)cc2)[nH]1)c1ccc2c(c1)Nc1ccccc1NC2=O,0.0
Cc1cc2c(C(=O)N[C@@H](Cc3ccccc3)[C@H](O)C[NH2+]C3CC3)cc(C(=O)N[C@H](C)c3ccccc3)cc2o1,0.0
COCC(=O)Nc1cccc([C@@]2(C3CCCCC3)NC(=[NH2+])N(C)C2=O)c1,0.0
Cc1ccoc1C(=O)Nc1cccc([C@@]2(C3CCCCC3)NC(=[NH2+])N(C)C2=O)c1,0.0
CC(=O)N[C@H](Cc1cc(F)cc(F)c1)[C@@H](O)C[NH2+][C@]1(c2cccc(C(C)(C)C)c2)CCc2n[nH]cc2C1,0.0
Cc1cc2c(C(=O)N[C@H](C)c3ccccc3)cc(C(=O)N[C@@H](Cc3ccccc3)[C@H](O)C[NH2+]C3CC3)cc2o1,0.0
CCOc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]Cc2cccc(C(F)(F)F)c2)cc(C2=C(C)CCC2=O)c1,0.0
O=C(/N=c1/[nH]c2ccc(F)cc2[nH]1)c1ccc2c(c1)Nc1ccccc1NC2=O,0.0
O=C(Nc1ccc(F)cc1)c1ccc2c(c1)Nc1ccccc1NC2=O,0.0
C[C@H]([NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(N2CCCC2)cc(N2CCCC2=O)c1)C(=O)NC1CCCCC1,0.0
CCCOc1ccc(-c2ccc(-c3ccccc3Cl)n2CC(=O)/N=C(/N)NCCCO)cc1,0.0
CCCOc1ccc(-c2ccc(-c3ccccc3Cl)n2CC(=O)/N=C(/N)NCc2ccco2)cc1,0.0
CN1C(=O)[C@@](c2ccncc2)(c2cccc(-c3cc(F)ccc3F)c2)[NH+]=C1N,0.0
CCCCNC(=O)NCc1ccc(CN2C(=[NH2+])N[C@@](CCC3CCCCC3)(CC3CCCCC3)C2=O)cc1,0.0
CCCCCN1C[C@@H](C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@@H](OCc3ccccc3)C[NH2+]2)CC1=O,0.0
NC1=N[C@@](c2cccc(-c3cccnc3F)c2)(c2ccc3c(c2)OCCO3)C2=[NH+]CCCN12,0.0
CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)C[NH2+]Cc2cccc(CC)c2)c1,0.0
O/N=C1\CCc2cc(-c3cn([C@H]4CCC[C@@H]4O)nc3-c3ccncc3)ccc21,0.0
Cn1cc(-c2ccc3c(c2)CC/C3=N\O)c(-c2ccc3c(cnn3C)c2)n1,0.0
Cn1cc(-c2ccc3c(c2)CC/C3=N\O)c(-c2cccnc2)n1,0.0
CCn1cc(-c2ccnc3[nH]ccc23)c(-c2cccc(NC(=O)NCc3ccccc3)c2)n1,0.0
Cn1cc(-c2ccc3c(c2)CC/C3=N\O)c(-c2ccncn2)n1,0.0
Cn1cc(-c2ccc3c(c2)CC/C3=N\O)c(-c2cnco2)n1,0.0
Cn1cc(-c2ccc3c(c2)CC/C3=N\O)c(-c2ccncc2)n1,0.0
Cn1cc(-c2ccc3c(c2)CCN/C3=N/O)c(-c2ccncc2)n1,0.0
Cn1ncc(-c2ccc3c(c2)CC/C3=N\O)c1-c1ccncc1,0.0
Cn1cc(-c2ccc3c(c2)CN/C3=N/O)c(-c2ccncc2)n1,0.0
O/N=C1\CCc2cc(-c3cn([C@@H]4CCC[C@H](O)C4)nc3-c3ccncc3)ccc21,0.0
O/N=C1\CCc2cc(-c3cn(C4CCOCC4)nc3-c3ccncc3)ccc21,0.0
CNc1nccc(CNc2ccccc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)n1,0.0
Oc1cc(-c2nc(-c3ccccc3)[nH]c2-c2ccncc2)ccc1Cl,0.0
O/N=C1\CCc2cc(-c3nc(C4CC[NH2+]CC4)[nH]c3-c3ccncc3)ccc21,0.0
CC(C)(C[NH3+])c1nc(-c2ccc3c(c2)CC/C3=N\O)c(-c2ccncc2)[nH]1,0.0
O=C(NCCN1CCOCC1)c1nc(-c2ccc3c(c2)CC/C3=N\O)c(-c2ccncc2)[nH]1,0.0
Oc1cc(-c2[nH]c(-c3ccco3)nc2-c2ccncc2)ccc1Cl,0.0
O/N=C1\CCc2cc(-c3cn(C4CC[NH2+]CC4)nc3-c3ccncc3)ccc21,0.0
O/N=C1\CCc2cc(-c3cc(C4CC[NH2+]CC4)oc3-c3ccncc3)ccc21,0.0
Oc1cc(-c2[nH]c(-c3ccccc3)nc2-c2ccnnc2)ccc1Cl,0.0
Cn1cc(-c2ccc(/C(N)=N\O)cc2)c(-c2ccncc2)n1,0.0
Oc1cc(-c2[nH]c(-c3ccccc3)nc2-c2ccncn2)ccc1Cl,0.0
CCn1cc(-c2ccnc3[nH]ccc23)c(-c2cccc(NC(=O)Nc3cccc(OC)c3)c2)n1,0.0
CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21,0.0
Cn1cc(-c2ccc3c(c2)C(=O)NC3)c(-c2ccncc2)n1,0.0
Oc1cc(-c2[nH]c(-c3cccnc3)nc2-c2ccncc2)ccc1Cl,0.0
O=C(NCc1ccccc1)Nc1cc(CNc2ccccc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)ccn1,0.0
C[NH+](C)CCOc1cc(-c2ccncc2)c(-c2ccc3c(c2)CC/C3=N\O)o1,0.0
O=C(Nc1ccc2c(c1)OC(F)(F)C(F)(F)O2)c1ccccc1NCc1ccncc1,0.0
CC(C)(C)c1nc(-c2ccc(Cl)c(O)c2)c(-c2ccncc2)[nH]1,0.0
O/N=C/c1ccc(-c2[nH]c(-c3ccccc3)nc2-c2ccncc2)cc1,0.0
CCn1cc(-c2ccnc3[nH]ccc23)c(-c2cccc(NC(=O)NC3CCCCC3)c2)n1,0.0
O=C(NC1CC1)c1cc(CNc2ccccc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)ccn1,0.0
O=C(Nc1cccc(-c2ccnc3cc(-c4ccncc4)nn23)c1)c1cccc(C(F)(F)F)c1,0.0
O/N=C1\CCc2cc(-c3[nH+]c(CN4CCOCC4)[nH]c3-c3ccncc3)ccc21,0.0
O/N=C1\CCc2cc(-c3cn(C[C@@H]4CCC[NH2+]C4)nc3-c3ccncc3)ccc21,0.0
CC(=O)Nc1cc(CNc2ccccc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)ccn1,0.0
O=C(Nc1cccc(-c2ccnc3cc(N4CCOCC4)nn23)c1)c1cccc(C(F)(F)F)c1,0.0
O=C(Nc1ccc2c(c1)OC(F)(F)O2)c1ccccc1NCc1ccnc(C2=[NH+]CCN2)c1,0.0
O=C(Nc1ccc2c(c1)OC(F)(F)O2)c1ccccc1NCc1cc[nH+]c(NCCc2c[nH]c[nH+]2)c1,0.0
C[NH+](C)CCOC1=N[C@@H](c2ccncc2)C(c2ccc3c(c2)CC/C3=N\O)=C1,0.0
Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1,0.0
NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2c(F)c(F)cc(F)c2F)c(F)c1,0.0
NS(=O)(=O)c1ccc(COC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1,0.0
COc1ccc(CNCc2cc(S(N)(=O)=O)cnc2Sc2ccc(F)c(F)c2)cc1,0.0
Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1,0.0
NS(=O)(=O)c1ccc(COS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1,0.0
NS(=O)(=O)c1ccc(SCc2ccccc2)c(C(=O)NCc2ccccc2)c1,0.0
NS(=O)(=O)c1cnc(Sc2c(F)c(F)cc(F)c2F)c(C(=O)NCc2ccccn2)c1,0.0
NS(=O)(=O)c1ccc(CCOC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1,0.0
NS(=O)(=O)c1nnc(NC(=O)CCNS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)s1,0.0
NS(=O)(=O)c1ccc(CCOS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1,0.0
NS(=O)(=O)c1ccc(Sc2ccccc2)c(C(=O)NCc2ccccc2)c1,0.0
NS(=O)(=O)c1ccc(NNS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1,0.0
NS(=O)(=O)c1ccc(CNC(=O)Cc2ccccc2)cc1,0.0
NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2c(F)c(F)cc(F)c2F)cc1,0.0
COc1ccc(CNC(=O)c2cc(S(N)(=O)=O)cnc2Sc2ccc(F)c(F)c2)cc1,0.0
NS(=O)(=O)c1ccc(Nc2nc(Oc3ccccc3)nc(Oc3ccccc3)n2)cc1,0.0
NS(=O)(=O)c1ccc(Oc2ccccc2)c(C(=O)NCc2ccccc2)c1,0.0
NS(=O)(=O)c1ccc(Sc2ccccc2)c(C(=O)NCc2ccccn2)c1,0.0
Cc1cc(C)[n+](CCc2ccc(S(N)(=O)=O)cc2)c(C)c1C,0.0
NS(=O)(=O)c1ccc(Sc2c(F)c(F)cc(F)c2F)c(C(=O)NCCc2ccccn2)c1,0.0
NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccccc2)cc1,0.0
Nc1nc(N)nc(NCCc2ccc(S(N)(=O)=O)cc2)n1,0.0
NS(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(=O)NCC(=O)OCc2ccccc2)cc1,0.0
NS(=O)(=O)c1ccc(CN2C(=O)c3cccnc3C2=O)cc1,0.0
NS(=O)(=O)c1ccc(C(=O)NCSc2ccccc2)cc1,0.0
NS(=O)(=O)c1nnc(NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)s1,0.0
NS(=O)(=O)c1ccc(CC/[NH+]=C/c2ccccc2F)cc1,0.0
NS(=O)(=O)c1ccc(Sc2ccccn2)c(C(=O)NCc2ccccn2)c1,0.0
NS(=O)(=O)c1nc2ccc(OC(=O)c3c(F)c(F)c(F)c(F)c3F)cc2s1,0.0
NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cccc3c(Cl)c[nH]c23)cc1,0.0
NS(=O)(=O)c1ccc(NN2C(=O)c3cccnc3C2=O)cc1,0.0
NS(=O)(=O)c1ccc(CNc2nc(Cl)nc(Cl)n2)cc1,0.0
NS(=O)(=O)c1ccc(CCNC(=O)CCCCCNc2ccn([O-])c(=O)n2)cc1,0.0
NS(=O)(=O)c1ccc(CCNCc2ccccc2F)cc1,0.0
NS(=O)(=O)c1ccc(NC(=O)CCCNc2ccn([O-])c(=O)n2)cc1,0.0
CC(=O)N1N=C(c2cc(F)ccc2F)C[C@H]1c1cccc(O)c1,0.0
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)COc1ccc(-c2ccccc2)cc1)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
O=C1Nc2ccc(S(=O)(=O)N3CCC[C@H]3CNc3ccccc3)cc2C1=O,0.0
O=C1C(=O)N(CCc2ccccc2)C(=O)c2ccccc21,0.0
O=C(CCC(=O)Nc1ccc2c(c1)C(=O)C(=O)NC2=O)NCc1ccccc1,0.0
O=C1Nc2ccc(S(=O)(=O)N3CCC[C@H]3COc3ccncc3)cc2C1=O,0.0
O=C1Nc2ccc(S(=O)(=O)N3CCC[C@H]3CSc3ccccc3)cc2C1=O,0.0
CN1C(=O)C(=O)c2cc(S(=O)(=O)N3CC[C@H]3COc3ccccc3)ccc21,0.0
CN1C(=O)C(=O)c2cc(S(=O)(=O)N3CCC[C@H]3COc3ccccc3)ccc21,0.0
O=C([O-])C[C@H](NC(=O)c1cncc(S(=O)(=O)NCc2ccccc2)c1)C(=O)CSCc1ccc(F)cc1,0.0
O=C([O-])C[C@H](NC(=O)c1cncc(S(=O)(=O)NC2CC2)c1)C(=O)COC(=O)c1cccc2ccccc12,0.0
CCOc1cccc(NC(=O)CCC(=O)Nc2ccc3c(c2)C(=O)C(=O)NC3=O)c1,0.0
CC(C)[C@H](NC(=O)COc1cccc2ccccc12)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1cccc2ccccc12,0.0
CC(C)C[C@H](NC(=O)COc1ccc(OCc2ccccc2)cc1)C(=O)N[C@H]1CC(=O)O[C@@H]1O,0.0
FC(F)(F)c1ccc(-c2noc(-c3occc3Cl)n2)cc1,0.0
CN1C(=O)C(=O)c2cc(S(=O)(=O)N3CCC[C@H]3COc3cccnc3)ccc21,0.0
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(Cc2ccccc2)C(=O)c2ccccc21,0.0
O=C([O-])C[C@@H](NC(=O)c1ccccc1NC(=O)OCc1ccccc1)C(=O)CF,0.0
O=C1NC(=O)c2cccc(NC(=O)c3cccc([N+](=O)[O-])c3)c2C1=O,0.0
O=C(Nc1cccc2c1C(=O)C(=O)NC2=O)OCc1ccccc1,0.0
CC(C)C[C@@H](NC(=O)CNc1cccc(Oc2ccccc2)c1)C(=O)N[C@H]1CC(=O)O[C@@H]1O,0.0
O=C([O-])C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)CF,0.0
O=C([O-])C[C@@H](NC(=O)[C@@H](OC(=O)Nc1ccccc1)C1CCCCC1)C(=O)CF,0.0
CC(C)[C@H](NC(=O)COc1cccc2ccccc12)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1ccc2ccccc2c1,0.0
CC(C)C[C@H](NC(=O)COc1ccc(Oc2ccccc2)cc1)C(=O)N[C@H]1CC(=O)O[C@@H]1O,0.0
FC(F)(F)c1ccc(-c2noc(-c3sccc3Cl)n2)cn1,0.0
CC(C)C[C@H](NC(=O)COc1ccnc2ccccc12)C(=O)N[C@H]1CC(=O)O[C@@H]1O,0.0
O=C1C2=[NH+]CC3(CCCCC3)CN2c2ccc(S(=O)(=O)N3CCC[C@H]3COc3ccccc3)cc21,0.0
O=C([O-])CN(C(=O)CF)C(=O)[C@H]1CCN1C(=O)OCc1ccccc1,0.0
CC(C)C[C@H](NC(=O)COc1cccc2cccnc12)C(=O)N[C@H]1CC(=O)O[C@@H]1O,0.0
O=C1NC(=O)c2ccc(NC(=O)C3CCCCC3)cc2C1=O,0.0
CC(C)C[C@H](NC(=O)COc1cccc2cnccc12)C(=O)N[C@H]1CC(=O)O[C@@H]1O,0.0
CC(C)C[C@H](NC(=O)COc1ccc([C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)cc1)C(=O)N[C@H]1CC(=O)O[C@@H]1O,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=C1C(=O)N(Cc2ccccc2)c2ccc(S(=O)(=O)N3CCC3)cc21,0.0
NC(=O)c1nn(-c2ccc(S(N)(=O)=O)cc2)c2c1ccc1[nH]ncc12,0.0
c1cnn2ncc(-c3ccnc(Nc4ccc5c(c4)OCCO5)n3)c2c1,0.0
NC(=O)c1nn(-c2ccc(S(N)(=O)=O)cc2)c2c1CCc1[nH]ncc1-2,0.0
O=[N+]([O-])c1cccc(Nc2nccc(-c3cnn4ncccc34)n2)c1,0.0
O=c1ccc2cnc(Nc3ccccc3)nc2n1C1CCCC1,0.0
COc1ccc(-c2[nH]nc3c2C(=O)c2c(NC(=O)NNC(=O)CCc4ccc(O)cc4)cccc2-3)cc1,0.0
Cc1ccc(F)c(C(=O)n2nc(Nc3ccc(S(N)(=O)=O)cc3)nc2C)c1F,0.0
O=C(Nc1ccc(F)cc1)c1n[nH]cc1NC(=O)c1c(F)cccc1F,0.0
O=C1NC(=O)c2c1c1c3ccccc3ccc1c1[nH]c3ccccc3c21,0.0
NS(=O)(=O)c1ccc(Nc2nccc(-c3cnc4ccccn34)n2)cc1,0.0
O=C1Nc2cc3c(O)cccc3c3c4c(cc1c23)OCO4,0.0
Cc1ccc(F)c(Nc2ccnc(Nc3ccc(S(N)(=O)=O)cc3)n2)c1,0.0
CC(=O)Nc1cccc2c1C(=O)c1c(-c3cccnc3)n[nH]c1-2,0.0
c1ccc(Nc2nc(OCC3CCCCC3)c3nc[nH]c3n2)cc1,0.0
Clc1cccc(Nc2nccc(-n3cnc4ccccc43)n2)c1,0.0
CCN(CC)c1cc(Nc2ccc(S(N)(=O)=O)cc2)n2ncnc2n1,0.0
CC(=O)Nc1cccc2c1C(=O)c1c(-c3ccncc3)n[nH]c1-2,0.0
NC(=O)Nc1cccc2c1C(=O)c1c(-c3ccco3)n[nH]c1-2,0.0
COc1ccc(-c2[nH]nc3c2C(=O)c2c(NC(=O)NNC(=O)Cc4ccccc4)cccc2-3)cc1,0.0
Cn1cncc1CNC(=O)c1ccc2cc(-c3n[nH]cc3-c3ccccc3)[nH]c2c1,0.0
CNC(=O)C[N@H+]1CC[C@H](Nc2ncc(Cl)c(-c3c[nH]c4ccccc34)n2)CC1,0.0
Cc1oncc1CNC(=O)c1ccc2cc(-c3n[nH]cc3-c3ccccc3)[nH]c2c1,0.0
O=C(Nc1ccc(F)cc1)c1n[nH]cc1NC(=O)C1CCCCC1,0.0
CNS(=O)(=O)c1ccc2c(c1)/C(=C/c1[nH]cc3c1CCOC3=O)C(=O)N2,0.0
O=C1Nc2cccc(C3CC[NH2+]CC3)c2/C1=C/c1[nH]cc2c1CCOC2=O,0.0
NC(=O)c1nn(-c2ccc(-c3ncc[nH]3)cc2)c2c1ccc1[nH]ncc12,0.0
NC(=O)Nc1cccc2c1C(=O)c1c(-c3cccs3)n[nH]c1-2,0.0
O=C(N[C@H]1CCC[NH2+]C1)c1n[nH]cc1NC(=O)c1c(F)cccc1F,0.0
Cc1ccc(C(=O)c2cc(O)c(O)c([N+](=O)[O-])c2)cc1,0.0
O=C(NCCCNC(=O)c1ccc(O)c(O)c1)c1ccc(O)c(O)c1,0.0
O=C(/C=C/c1cc(O)c(O)c([N+](=O)[O-])c1)c1ccccc1,0.0
O=C(Cc1ccccc1)c1cc(O)c([O-])c([N+](=O)[O-])c1,0.0
O=C(Cc1ccccc1)c1ccc(O)c(O)c1[N+](=O)[O-],0.0
O=C(CCCc1ccccc1)c1ccc(O)c(O)c1[N+](=O)[O-],0.0
CC(=O)C(=Cc1cc(O)c(O)c([N+](=O)[O-])c1)C(C)=O,0.0
CC(=O)/C(C)=C/c1cc(O)c(O)c([N+](=O)[O-])c1,0.0
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
O=C([O-])CCCCc1cc(O)c(O)c([N+](=O)[O-])c1,0.0
CC(C)[C@@H](N)C(=O)OCOC(=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
O=C(OCc1coc(=O)o1)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
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
CC(C)OC(=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(C)C(=O)OCOC(=O)c1sc2c([N+](=O)[O-])c([O-])c(O)cc2c1Cl,0.0
N#CC(C#N)=Cc1cc(O)c([O-])c([N+](=O)[O-])c1,0.0
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
CCCC(=O)OCOC(=O)c1sc2c([N+](=O)[O-])c([O-])c(O)cc2c1Cl,0.0
CC(C)C(=O)O[C@H](C)OC(=O)c1sc2c([N+](=O)[O-])c([O-])c(O)cc2c1Cl,0.0
COC(=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
CCN(CC)C(=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
CCCCOC(=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
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#Cc1cc(O)c([O-])c([N+](=O)[O-])c1,0.0
O=[N+]([O-])c1cc(Cl)cc(O)c1O,0.0
Cc1n[nH]c2cc(N(C)c3cc[nH+]c(Nc4cccc(S(N)(=O)=O)c4)n3)ccc12,0.0
O=C(CCc1ccc(-c2ccc(O)cc2Cl)cc1)Nc1ccccc1C(=O)[O-],0.0
O=C(NCc1cccc2ccccc12)c1cc(-c2ccncc2)nc2ccccc12,0.0
O=C(NCc1cccc2ccccc12)c1cc(-c2cccnc2)nc2ccccc12,0.0
CCn1cc(-c2ccnc3[nH]ccc23)c(-c2cccc(NC(=O)Nc3cccc(OC)c3)c2)n1,0.0
Cc1ccc(S(=O)(=O)[N-]c2ccnn2-c2ccccc2)cc1,0.0
Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@H](C(=O)[O-])C2CCCCC2)c(C)c1,0.0
Cc1cc(Br)cc2[nH]c(-c3c(N[C@H](CO)Cc4ccccc4)cc[nH]c3=O)nc12,0.0
Cc1n[nH]c2ccc(-c3cc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)cnc3-c3ccoc3)cc12,0.0
Cc1oc(-c2ccccc2)nc1CCOc1cccc(C[C@@H]2C(=O)N(c3ccc(C(C)(C)C)cc3)[C@@H]2C(=O)[O-])c1,0.0
CCCS(=O)(=O)N1CC[C@H](N(Cc2ccccc2C(F)(F)F)c2ccc(C#N)c(Cl)c2)C1,0.0
Cc1cccc(C)c1CNc1cc(-n2cccn2)cn2c(C)c(C)[nH+]c12,0.0
CCn1c(C)c(C)c2c/c(=[N+]3\C=CC=CC3=O)[nH]c(NCc3c(C)cccc3C)c21,0.0
[NH3+]Cc1ccc(F)c(C2CCN(C(=O)c3cccc(-c4nc(-c5cccs5)no4)c3)CC2)c1,0.0
COCCOCCOc1ccc(S(=O)(=O)N(CC(=O)/N=N\c2c(O)[nH]c3ccccc23)c2ccc(Cl)cc2)cc1,0.0
O=C(CCc1ccc2c(ccc3[nH]ncc32)c1)Nc1ccccc1C(=O)[O-],0.0
Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@@H](CCC(C)C)C(=O)[O-])c(C)c1,0.0
C[C@H](O)C[C@H](c1ccccc1)c1c([O-])oc2ccccc2c1=O,0.0
C[C@@H](Oc1cc(-n2cnc3cc(-c4cc[nH+]c(N5CCOCC5)c4)ccc32)sc1C(N)=O)c1ccccc1C(F)(F)F,0.0
O=S(=O)([N-]c1ccc2c(c1)CC[N@@H+](Cc1ccn[nH]1)CC2)c1ccc(-c2ccccn2)s1,0.0
Cc1[nH]c2ccc(OC(F)(F)F)cc2c1Cc1cccc(O[C@@H](C)C(=O)[O-])c1,0.0
Cc1cc(-n2ccnc2)cc2[nH]c(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)nc12,0.0
CCc1oc2ccccc2c1C(=O)c1cc(Br)c([O-])c(Br)c1,0.0
c1ccc(CCCOc2ccc(-n3ccnc3)cc2)nc1,0.0
O=C(c1cccc(Cl)c1)c1cc(Cc2ccc([O-])nn2)cc2ccoc12,0.0
[O-]c1ccc(Cc2cc(Oc3cccc(Cl)c3)c3occc3c2)nn1,0.0
FC(F)(F)c1ccccc1-c1cccc(-c2c[nH]cn2)c1,0.0
CC1=NC(c2ccccc2)=N[C@H](c2ccc(F)cc2)/C1=C(\[O-])Nc1ccc2[nH]ncc2c1,0.0
Cc1cccc2[nH]c(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)nc12,0.0
Oc1ccc(-c2ccc3c(c2)CCC=C3c2ccncc2)cc1O,0.0
Oc1ccc(-c2ccc3c(c2)CCC[C@@H]3c2ccncc2)cc1O,0.0
Cc1n[nH]c2ccc(-c3cc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)cnc3-c3ccoc3)cc12,0.0
Cc1c[nH+]c(-c2cc(C)c3nc(-c4c(NC[C@@H](O)c5cccc(Cl)c5)cc[nH]c4=O)[nH]c3c2)[nH]1,0.0
Cc1c(C)n(C[C@H]2C[C@@H]2C)c2c(OCc3ccc(F)cc3)nncc12,0.0
N#Cc1ccccc1Cn1c(N2CCC[C@@H]([NH3+])C2)nc2c(Cl)cc(Cl)cc2c1=O,0.0
Oc1cccc(-c2ccc(Cc3ccncc3)cc2)c1,0.0
COc1ccc(N2C(=O)[C@@H](Cc3cccc(OCCc4nc(-c5ccccc5)oc4C)c3)[C@H]2C(=O)[O-])cc1,0.0
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)nc12,0.0
Cc1n[nH]c2ncc(-c3cc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)cnc3-c3ccoc3)cc12,0.0
Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cccnc5)c[nH+]c(N)c34)cc2)c1,0.0
Clc1ccc(CO[C@H](Cn2cc[nH+]c2)c2ccc(Cl)cc2Cl)c(Cl)c1,0.0
Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)nc12,0.0
CN1C(=O)CC[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1Cl,0.0
Cc1cc(C)n(C[C@@H](NC(=O)N[C@H]2CC[N@H+](Cc3ccn(-c4ccc(C(F)(F)F)cc4)c3)CC2)c2ccccc2)n1,0.0
COc1ccc(CCCO[C@H](Cn2cc[nH+]c2)c2ccc(OC)cc2)cc1,0.0
Cc1cc(-n2ccnc2)cc2[nH]c(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)nc12,0.0
Clc1ccc(Cn2cc(-c3ccncc3)cn2)c(Cl)c1,0.0
C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1CC[N@H+](Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1,0.0
Cc1cc(N2CC[NH+](CCCF)CC2)cc2[nH]c(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)nc12,0.0
O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1NCc1ccncc1,0.0
CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21,0.0
C[NH+]1CCN(c2ccccc2NC(=O)c2ccc([N+](=O)[O-])o2)CC1,0.0
CONC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(NCc3ccccc3)ncc2c1=O,0.0
NC(=O)c1cnc2cc(-c3ccncc3)ccc2c1Nc1ccccc1,0.0
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)c1cccnc1,0.0
CCCCNc1ncc2c(=O)c(C(=O)NOC)cn(-c3ccc4c(c3)CCC4)c2n1,0.0
NC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3cccc(C(=O)N4CCCCC4)c3)ncc2c1=O,0.0
Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1,0.0
O=C(Nc1cccc(-c2cncc3ccccc23)c1)c1ccccc1NCc1ccncc1,0.0
NC(=O)c1cnc2cc(-c3ccncc3)ccc2c1Nc1cccc2[nH]ncc12,0.0
C[NH+]1CCN(c2cccc(Nc3ncc4c(=O)c(C(N)=O)cn(-c5ccc6c(c5)CCC6)c4n3)c2)CC1,0.0
C[NH+]1CCN(Cc2ccc(N3CCCCC3)c(NC(=O)c3ccc(C#N)o3)c2)CC1,0.0
N#Cc1c[nH]c(C(=O)Nc2ccccc2N2CCCCC2)c1,0.0
Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1cccnc1,0.0
COc1cc2c(Nc3ccc(F)c(Cl)c3)c(C(N)=O)cnc2cc1OCC[NH2+]C1CC1,0.0
Cc1cccc(C(=O)Nc2cccc([C@H](C)Nc3cncc(Cl)n3)c2)c1,0.0
Cc1cc(C(=O)Nc2cccc([C@H](C)Nc3cncc(Cl)n3)c2)ccn1,0.0
Cc1cc(-c2c(C3CCCCC3)c3cc(Cl)ccc3[nH]c2=O)on1,0.0
N#Cc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2N2CCCCC2)o1,0.0
Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NC[C@@H](O)CN1CCOCC1,0.0
C[C@H](Nc1cncc(Cl)n1)c1cccc(NC(=O)c2cncc(Br)c2)c1,0.0
COc1cc2[nH+]ccc(Oc3ccc4c(C(=O)Nc5ccc(Cl)cc5)cccc4c3)c2cc1OC,0.0
O=C(Nc1ccccc1N1CCCCC1)c1ccno1,0.0
COc1ccc(COc2cnc(COc3nc(-c4cnn(C)c4)cnc3N)cc2OC)cc1,0.0
Cc1ccc(NC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,0.0
Cc1ccc(NC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)cc1-c1ccc2c(N)noc2c1,0.0
NC(=O)c1cnc2cc(-c3ccc(C(=O)C4CCCC4)cc3)ccc2c1Nc1ccccc1,0.0
Cc1ccc(NC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)cc1-c1ccc2ccncc2c1,0.0
O=C(Nc1cccc(Cl)c1)Nc1ncc(CCNc2ncnc3ccsc23)s1,0.0
C[NH+]1CCN(Cc2ccc3c(c2)Cc2c(-c4csc(C#CCOc5ccccc5)c4)n[nH]c2-3)CC1,0.0
O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1-c1ccc[nH]1,0.0
COc1ccc(COc2ncc(Oc3nc(-c4cnn(C)c4)cnc3N)cc2OC)cc1,0.0
COc1ccc(COc2ccc(COc3nc(-c4cnn(C)c4)cnc3N)cc2OC)cc1,0.0
COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1,0.0
[NH3+]Cc1ccccc1CN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc21,0.0
CC(C)[N@@H+]1CCC[C@H](Cn2c(CN(C)[C@H]3CCCc4cccnc43)nc3ccccc32)C1,0.0
[NH3+]Cc1ccc(CN(Cc2nc3ccccc3[nH]2)[C@@H]2CCCc3cccnc32)cc1,0.0
c1ccc(C[NH2+]Cc2ccc(CN(Cc3nc4ccccc4[nH]3)[C@@H]3CCCc4cccnc43)cc2)nc1,0.0
[NH3+]C/C=C\CN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc21,0.0
[NH3+]CCCCCN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc21,0.0
[NH3+]C/C=C/CN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc21,0.0
c1sc2[n+](c1CS/C(NC1CCCCCC1)=[NH+]\C1CCCCCC1)CCN2,0.0
c1sc2[n+](c1CS/C(NC1CCCCCCC1)=[NH+]\C1CCCCC1)CCN2,0.0
N#CCCCCN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc21,0.0
[NH3+]CCCCCCN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc21,0.0
c1sc2[n+](c1CS/C(NC1CCCCCC1)=[NH+]\C1CCCCC1)CCN2,0.0
[NH3+]CC#CCN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc21,0.0
[NH3+]CCCCN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc21,0.0
[NH3+]CCCN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc21,0.0
C[NH+](C)CCCCN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc21,0.0
CN(/C(=[NH+]/C1CCCCC1)SCc1csc2[n+]1CCN2)C1CCCCC1,0.0
c1sc2[n+](c1CS/C(N[C@]13C[C@H]4C[C@H](C[C@H](C4)C1)C3)=[NH+]\C1CCCCC1)CCN2,0.0
c1sc2[n+](c1CS/C(NC1CCCCC1)=[NH+]\C1CCCCC1)CCN2,0.0
CC1(C)C[n+]2c(CS/C(NC3CCCCC3)=[NH+]\C3CCCCC3)csc2N1,0.0
CN(Cc1[nH+]cc2ccccc2c1CCC[NH+](C)C)[C@H]1CCCc2cccnc21,0.0
c1sc2[n+](c1CS/C(NC1CCCCC1)=[NH+]\C1CCCCC1)CCCN2,0.0
c1sc2[n+](c1CS/C(NC1CCCC1)=[NH+]\C1CCCCC1)CCN2,0.0
c1sc2[n+](c1CS/C(NC1CCCCCCC1)=[NH+]\C1CCCCCCC1)CCN2,0.0
CC(C)(C)[C@H]1CC[C@H](N/C(=[NH+]/C2CCCCC2)SCc2csc3[n+]2CCN3)CC1,0.0
C[NH2+]CCCCN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc21,0.0
CN(Cc1nc2ccccc2n1CCC[NH3+])[C@@H]1CCCc2cccnc21,0.0
c1sc2[n+](c1CS/C(NC1CCCC1)=[NH+]\C1CCCC1)CCN2,0.0
CC1(C)C[n+]2c(CS/C(NC3CCCCCC3)=[NH+]\C3CCCCCC3)csc2N1,0.0
Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O,0.0
c1cc2nc(c1)CCNCC[NH+](Cc1ccc(C[NH+]3CCNCCc4cccc(n4)CCNCC3)cc1)CCNCC2,0.0
CCCCCCN/C(=[NH+]/C1CCCCC1)SCc1csc2[n+]1CCN2,0.0
c1ccc(C[NH2+]Cc2ccc(CN3CCC[NH2+]CCNCCC[NH2+]CC3)cc2)nc1,0.0
O=C(NO)[C@H](NCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12,0.0
COc1cccc([C@@H](NCc2cccc(C(F)(F)F)c2)C(=O)NO)c1,0.0
O=C(NO)[C@H](NCc1cccc(C(F)(F)F)c1)c1ccccc1F,0.0
O=C(CN1Cc2c(cccc2C(F)(F)F)NS1(=O)=O)NO,0.0
O=C(C[C@H]1Sc2ccccc2N(CCC2CCCCC2)C1=O)NO,0.0
O=C(CN1Cc2c(Cl)cccc2N(CCCc2ccccc2)S1(=O)=O)NO,0.0
O=C(C[C@@H](c1ccccc1)S(=O)(=O)c1ccccc1)NO,0.0
O=C(CNO)Cc1cn(C(=O)OCc2ccccc2)c2ccc(Br)cc12,0.0
O=C(C[C@H]1Sc2ccccc2N(CC2CCCCC2)C1=O)NO,0.0
CCCC[C@H](CC(=O)NO)S(=O)(=O)c1ccc2ccccc2c1,0.0
O=C(C[C@H]1Sc2ccccc2N(C[C@@H]2CCCCO2)C1=O)NO,0.0
O=C(C[C@@H]1Sc2ccccc2N(CCc2ccccc2)C1=O)NO,0.0
O=C(C[C@H]1Sc2ccccc2N(CCC2OCCO2)C1=O)NO,0.0
O=C(C[C@H]1Sc2ccccc2NC1=O)NOCc1ccccc1,0.0
O=C(CN1Cc2c(Cl)cccc2N(CC2CC2)S1(=O)=O)NO,0.0
O=C(C[C@H]1Sc2ccccc2N(CC(=O)N2CCCC2)C1=O)NO,0.0
O=C(C[C@@H]1Cc2ccccc2N(CC2CC2)C1=O)NO,0.0
O=C(CN1Cc2c(cccc2C(F)(F)F)NC1=O)NO,0.0
O=C(CN1Cc2c(Cl)cccc2NC1=O)NO,0.0
CC(C)CCN1C(=O)[C@H](CC(=O)NO)Sc2ccccc21,0.0
O=C(C[C@H]1Sc2ccccc2N(CC2CCC2)C1=O)NO,0.0
CCCCCN1C(=O)[C@H](CC(=O)NO)Sc2ccccc21,0.0
O=C(C[C@@H]1Cc2ccccc2NC1=O)NO,0.0
O=C(C[C@H]1Sc2ccccc2N(CC2CC2)C1=O)NO,0.0
CCCC[C@H](CN(O)C=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N(C)C,0.0
O=C(CN1Cc2c(Br)cccc2NC1=O)NO,0.0
O=C(C[C@H]1Sc2ccccc2NC1=O)NO,0.0
CCCCC[C@H](NC(=O)NO)C(=O)N[C@@H](C(=O)N1CCC[C@H]1CO)C(C)C,0.0
CCCC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)c1cc2ccccc2o1)C(C)(C)C,0.0
O=C(CNO)Cc1c[nH]c2ccc(Cl)cc12,0.0
CCCCC[C@H](CN(O)C=O)C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1,0.0
O=C(CNO)Cc1c[nH]c2ccc(F)cc12,0.0
O=C(CN1Cc2c(Cl)cccc2NS1(=O)=O)NO,0.0
CCCC[C@H](CC(=O)NO)S(=O)(=O)C1CCCCC1,0.0
CCCC[C@H](C(=O)NO)C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1,0.0
O=C(C[C@H]1Sc2ccccc2N(CC(=O)Nc2ccccn2)C1=O)NO,0.0
CCCCC[C@H](CN(O)C=O)C(=O)N1CCC[C@H]1c1nc2ccccc2o1,0.0
O=C(C1=C([O-])c2ccccc2S(=O)(=O)N1CCc1ccccc1)c1ccccc1,0.0
CO[C@@]1(c2ccccc2)CCCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1,0.0
C[C@@](O)(c1ccc(C(=O)N(C2CC2)[C@H]2CC[C@H](c3cccnc3)CC2)cc1)C(F)(F)F,0.0
CC1CCN(C(=O)c2cc(CS(=O)(=O)c3c(Cl)cccc3Cl)ccn2)CC1,0.0
Cc1ccc(C(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)cc1,0.0
CC(C)(CC(=O)N[C@H]1[C@@H]2C[C@H]3C[C@@H](C2)C[C@@H]1C3)Cc1nc(-c2ccccn2)no1,0.0
Cc1ccc/c(=N/S(=O)(=O)c2ccc3ccccc3c2)[nH]1,0.0
CC(C)(C)c1ccc(S(=O)(=O)N2CCC[C@@](O)(C3CC3)CC2)cc1,0.0
O=C(CS(=O)(=O)c1ccccc1)c1ccc(-c2ccc(Cl)cc2Cl)o1,0.0
CC1CCN(C(=O)c2cccc(Nc3ccccc3Cl)n2)CC1,0.0
Cn1c(-c2cccc(-c3ccccc3)c2)nnc1C1(c2ccc(Cl)cc2)CCC1,0.0
COc1ccc(-c2nnnn2CCC(=O)c2ccccc2)cc1,0.0
O=C(CCc1cnnn1-c1cccc(Cl)c1)c1ccccc1,0.0
CC(C)(C)c1ccc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCCC2)cc1,0.0
O=C(CC1(CC(=O)N[C@H]2[C@@H]3C[C@H]4C[C@@H](C3)C[C@@H]2C4)CCCC1)NCc1ccc(F)cc1,0.0
O=C(Nc1cccc(C(=O)N2CCC[C@@H]3CCCC[C@H]32)c1)c1ccccc1,0.0
Cc1ccc(C2(c3nnc4n3CCCCCC4)CC2)cc1,0.0
O=C(CC1(CC(=O)N[C@H]2[C@@H]3C[C@H]4C[C@@H](C3)C[C@@H]2C4)CCCC1)NCc1ccccn1,0.0
c1ccc(C2(c3nnc4n3CCCCCC4)CCCCC2)cc1,0.0
CC1CCN(C(=O)c2cccc(CS(=O)(=O)c3c(Cl)cccc3Cl)n2)CC1,0.0
CC(C)(C)c1ccc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1,0.0
CC1CCN(C(=O)c2cccc(Sc3ccccc3Cl)n2)CC1,0.0
C[C@](O)(c1ccc(C(=O)N(C2CC2)[C@H]2CC[C@H](CCC#N)CC2)cc1)C(F)(F)F,0.0
C1CCc2nnc([C@]34C[C@H]5C[C@H](C[C@H](C5)C3)C4)n2CC1,0.0
Cc1cccc(C(C)(C)C(=O)N[C@@H]2[C@@H]3C[C@@H]4C[C@H]2C[C@@](O)(C4)C3)c1,0.0
CC(C)(C)c1ccc(S(=O)(=O)N2[C@@H]3CC[C@H]2C/C(=N/O)C3)cc1,0.0
CCCN(C(=O)c1ccc(CNS(=O)(=O)c2cccc(Cl)c2)cc1)C1CCCCCC1,0.0
Cc1ccccc1C1(c2nnc3n2CCCCCC3)CCC1,0.0
Cn1c(-c2ccc(-c3cccc(S(C)(=O)=O)c3)cc2Cl)nnc1C1(c2ccc(Cl)cc2)CCC1,0.0
O=C(CCc1cnnn1C1CCCCC1)c1ccccc1,0.0
[NH3+][C@@H]1CCCN(c2nc3c(n2Cc2ccccc2C(F)(F)F)C(=O)c2ccccc2C3=O)C1,0.0
COc1ccc2nc(N3CCC[C@@H]([NH3+])C3)n(Cc3ccccc3C(F)(F)F)c2c1F,0.0
[NH3+][C@@H](CC(=O)N1CCC[C@H]1COc1ccnc(C(F)(F)F)n1)Cc1cc(F)c(F)cc1F,0.0
[NH3+][C@@H](CC(=O)N1CCC[C@H]1CNc1nccc(C(F)(F)F)n1)Cc1cc(F)c(F)cc1F,0.0
[NH3+][C@@H](CC(=O)N1CCC[C@H]1CNc1ccc(C(F)(F)F)nc1)Cc1cc(F)c(F)cc1F,0.0
[NH3+][C@@H](CC(=O)N1CCC[C@H]1c1nc(-c2ncc(F)cc2F)no1)Cc1cc(F)c(F)cc1F,0.0
[NH3+][C@@H](CCN1CCC[C@H]1c1noc(-c2ccccc2)n1)Cc1ccccc1F,0.0
[NH3+][C@H](CC(=O)N1CCC[C@H]1CNC(=O)c1cccnc1)Cc1ccccc1F,0.0
[NH3+][C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)[C@H]1Cc1ccccn1)Cc1cc(F)c(F)cc1F,0.0
N#Cc1ccc(OC[C@@H]2CCCN2C(=O)C[C@H]([NH3+])Cc2cc(F)c(F)cc2F)nc1,0.0
[NH3+][C@H](Cc1cc(F)c(F)cc1F)C1CCN(C(=O)c2ccc(F)cc2F)CC1,0.0
[NH3+][C@@H](CC(=O)N1CCn2nc(-c3ccccc3)nc2C1)Cc1cc(F)c(F)cc1F,0.0
[NH3+][C@H](CC(=O)N1CCC[C@H]1CNC(=O)c1ccccn1)Cc1ccccc1F,0.0
CN1C(=O)c2nc(N3CCC[C@@H]([NH3+])C3)n(Cc3ccccc3C#N)c2C1=O,0.0
[NH3+][C@H](Cc1cc(F)c(F)cc1F)C1CCN(C(=O)c2cc3ccccc3cn2)CC1,0.0
[NH3+][C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)[C@H]1Cc1ccc(F)cc1)Cc1cc(F)c(F)cc1F,0.0
[NH3+][C@@H](CCN1CCC[C@H]1CNC(=O)c1ccccc1)Cc1ccccc1F,0.0
[NH3+][C@@H](CC(=O)N1CCn2nc(C(F)(F)F)nc2[C@H]1Cc1ccc(C(F)(F)F)cc1)Cc1cc(F)c(F)cc1F,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]1CNC(=O)C1CCCC1)Cc1cc(F)c(F)cc1F,0.0
CN1C(=O)CC(N2CCC[C@@H]([NH3+])C2)=C(Cc2ccccc2C#N)C1=O,0.0
[NH3+][C@H](CC(=O)N1CCC[C@H]1CNC(=O)c1ccncc1)Cc1ccccc1F,0.0
[NH3+][C@@H](CC(=O)N1CCC[C@H]1C(=O)NCCCCc1nnn[n-]1)Cc1ccccc1F,0.0
[NH3+][C@@H](CC(=O)N1CCC[C@H]1c1nc(-c2ncccn2)no1)Cc1cc(F)c(F)cc1F,0.0
[NH3+][C@@H](CC(=O)N1CCc2c(noc2C(F)(F)F)C1)Cc1cc(F)ccc1F,0.0
NC(=O)c1cccc(OCC2=CC[C@H](c3cc(F)c(F)c(F)c3)[C@@H]([NH3+])C2)c1,0.0
Cn1c(=O)cc(N2CCC[C@@H]([NH3+])C2)n(Cc2ccccc2C#N)c1=O,0.0
[NH3+][C@@H](CC(=O)N1CC[NH2+]C[C@H]1Cc1ccccc1)Cc1cc(F)c(F)cc1F,0.0
[NH3+][C@H](Cc1cc(F)c(F)cc1F)C1CCN(C(=O)c2cnc3ncccn23)CC1,0.0
[NH3+][C@@H](CC(=O)N1CCC[C@H]1c1nc(-c2cnccn2)no1)Cc1cc(F)c(F)cc1F,0.0
[NH3+][C@@H](CC(=O)N1CCC[C@H]1CNC(=O)C1CCC1)Cc1cc(F)c(F)cc1F,0.0
C[C@@H](c1ccc(-c2ccncc2Cl)cc1)[C@H](N)C(=O)N1CC[C@H](F)C1,0.0
[NH3+][C@@H](CCN1CCC[C@H]1c1nc(-c2ccccc2)co1)Cc1ccccc1F,0.0
[NH3+][C@@H](CCN1CCC[C@H]1c1ncn(-c2ccccc2)n1)Cc1ccccc1F,0.0
O=C([O-])C[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)NO)Cc1ccccc1,0.0
O=C(CCC[N@@H+]1CC[C@@H]2[C@@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)c1ccc(F)cc1,0.0
O[C@H](CCC[N@@H+]1CC[C@@H]2[C@@H](C1)c1cc(F)ccc1N2c1ccccc1)c1ccc(F)cc1,0.0
C[N@@H+]1CCc2cc(-c3ccc(O)cc3)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3,0.0
O=C(NCCCC[N@@H+]1CCC[C@H]2c3cccc(O)c3CC[C@@H]21)c1ccc(-c2ccccc2)cc1,0.0
O=C(/C=C/c1ccccc1)NCCCC[NH+]1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1,0.0
O=C(NCCCC[NH+]1CCC(=C2c3ccccc3CC(=O)c3sccc32)CC1)c1ccc2ccccc2c1,0.0
O=C1CNC(=O)N1CCCCCC[N@H+]1CCc2c(n(-c3ccc(F)cc3)c3ccc(F)cc23)C1,0.0
O=C(CCCN1CCc2c(c3cc(F)ccc3n2-c2ccc(F)cc2)C1)c1ccc(F)cc1,0.0
O=C(NCCCC[N@@H+]1CCN2c3ccccc3CC[C@@H]2C1)c1ccc(-c2ccccc2)cc1,0.0
O=C(NCCCC[NH+]1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1)c1ccc2ccccc2c1,0.0
COc1ccccc1N1CCN(C/C=C/CNC(=O)c2ccc3c(c2)Cc2ccccc2-3)CC1,0.0
CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1,0.0
O=c1[nH]c2ccccc2n1CCC[N@H+]1CC[C@H](c2noc3cc(F)ccc32)CC1,0.0
COc1ccccc1N1CC[NH+](CCCCNC(=O)c2ccc3c(c2)Cc2ccccc2-3)CC1,0.0
O=C(NCCCC[NH+]1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)-c1ccccc1C2,0.0
O=C(CCC[N@H+]1CC[C@@]2(CCc3ccccc32)CC1)c1ccc(F)cc1,0.0
CCC[N@H+](CCCCNC(=O)c1ccc(-c2ccccc2)cc1)[C@@H]1CCc2c(O)cccc2C1,0.0
O=C(NCCCC[NH+]1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)-c1ccccc1-2,0.0
O=C(NCCCC[NH+]1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1)c1ccc2ccccc2c1,0.0
Fc1ccc2c(CCC[N@H+]3CC[C@H](c4noc5cc(F)ccc54)CC3)noc2c1,0.0
O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2cccnc2)cc1,0.0
O[C@@H](CCC[N@@H+]1CCc2c(c3cc(F)ccc3n2-c2ccc(F)cc2)C1)c1ccc(F)cc1,0.0
O=C1N(CC[NH+]2Cc3ccccc3C2)CCN1Cc1cccc(C(F)(F)F)c1,0.0
Fc1ccc(-c2cncc(C[NH2+]C[C@H]3CCc4ccccc4O3)c2)cc1,0.0
O=C(NCCCC[N@@H+]1CCC2=C(CCc3ccccc32)C1)c1ccc2ccccc2c1,0.0
O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2cccc(=O)[nH]2)cc1,0.0
COc1ccccc1N1CC[NH+](CCCCNC(=O)c2ccc(C(=O)c3ccccc3)cc2)CC1,0.0
COc1ccccc1N1CC[NH+](CCCCNC(=O)/C=C/c2ccc(Oc3ccccc3)cc2)CC1,0.0
Cc1[nH]c2ccccc2c1CCC[N@H+]1CC[C@H](c2noc3cc(F)ccc32)CC1,0.0
COc1cccc2c1N1CC[N@@H+](CCCCNC(=O)c3ccc4ccccc4c3)C[C@@H]1CC2,0.0
O=C1CNC(=O)N1CCCCCC[N@H+]1CC[C@@H]2c3cc(F)ccc3N(c3ccc(F)cc3)[C@H]2C1,0.0
O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccncc2)cc1,0.0
CC1(C)[NH+]=C(N)N=C(N)N1c1cccc(COc2ccc3ccccc3c2)c1,0.0
COc1ccc(OCc2ccccc2)c(Cc2cnc3nc(N)nc(N)c3c2C)c1,0.0
CCc1c(Sc2cccc3cccnc23)[nH]c2[nH+]c(N)nc(N)c12,0.0
CC1(C)[NH+]=C(N)N=C(N)N1c1cccc(OCCOc2cccc(C(F)(F)F)c2)c1,0.0
Cc1c(CNc2ccc3c(c2)Cc2ccccc2-3)cnc2[nH+]c(N)nc(N)c12,0.0
Nc1nc(N)c2c(CCc3ccccc3)cccc2[nH+]1,0.0
Nc1ncc(Cc2cccc(OCc3ccccc3)c2)c(N)n1,0.0
Cc1c(CCc2cccc3ccccc23)cnc2[nH+]c(N)nc(N)c12,0.0
CCN(Cc1ccc2ccccc2c1)c1ccc2[nH+]c(N)nc(N)c2c1,0.0
CCc1c(Sc2ccc3ccccc3c2)[nH]c2[nH+]c(N)nc(N)c12,0.0
Nc1nc(N)c2c(/C=C/c3ccccc3)cccc2[nH+]1,0.0
Cc1c(C[NH2+]C2c3ccccc3-c3ccccc32)cnc2[nH+]c(N)nc(N)c12,0.0
Nc1nc(N)c2c(CSc3ccc4ccccc4c3)coc2[nH+]1,0.0
Nc1nc(N)c2cc(NCc3cccc4ccccc34)cnc2[nH+]1,0.0
CN(C[C@@H]1CCc2[nH+]c(N)nc(N)c2C1)c1ccc(Cl)c(Cl)c1,0.0
CC1(C)[NH+]=C(N)N=C(N)N1c1cccc(SCc2ccc(Cl)cc2)c1,0.0
Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@H](CCCCNC(=O)c4ccccc4C(=O)[O-])C(=O)[O-])cc3)cnc2n1,0.0
Nc1nc(N)c2nc(CCc3cccc4ccccc34)cnc2n1,0.0
Nc1cc(N)c2cc(CCc3ccc(C(=O)N[C@H](CCCNC(=O)c4ccccc4C(=O)[O-])C(=O)[O-])cc3)ccc2c1,0.0
Cc1c(COC(=O)c2ccccc2)cnc2[nH+]c(N)nc(N)c12,0.0
COc1ccccc1[C@H](Cc1coc2[nH+]c(N)nc(N)c12)C1CC1,0.0
[H]/N=C1\NC[C@@H](Cc2ccc(OC)c(OCc3ccccc3)c2)C(=[NH2+])N1,0.0
Nc1nc(N)c2c(C#Cc3ccccc3)cccc2[nH+]1,0.0
Nc1nc(N)c2c(OCc3ccccc3F)cccc2[nH+]1,0.0
CN(Cc1ccc2[nH+]c(N)nc(N)c2n1)c1ccc2ccccc2c1,0.0
CN(C[C@@H]1CCc2[nH+]c(N)nc(N)c2C1)c1cccc2ccccc12,0.0
CC1(C)[NH+]=C(N)N=C(N)N1c1cccc(OCc2ccccc2)c1,0.0
CCN(Cc1cccc2ccccc12)c1ccc2[nH+]c(N)nc(N)c2c1,0.0
Nc1nc(N)c2c(CSc3cccc4ccccc34)coc2[nH+]1,0.0
Cc1c(CNc2ccc(C(=O)N[C@H](CCCNC(=O)c3ccccc3C(=O)[O-])C(=O)[O-])cc2)cnc2[nH+]c(N)nc(N)c12,0.0
Cc1c(CNc2cnc3ccccc3c2)cnc2[nH+]c(N)nc(N)c12,0.0
Cc1c(CNc2cccc3cnccc23)cnc2[nH+]c(N)nc(N)c12,0.0
Cc1c(CNc2ccc3ncccc3c2)cnc2[nH+]c(N)nc(N)c12,0.0
Nc1nc(N)c2cc(C(=O)OCc3ccccc3)ccc2[nH+]1,0.0
CCc1[nH+]c(N)nc(N)c1-c1ccc(Cl)c(/N=N\N(CCOC(C)=O)Cc2ccccc2)c1,0.0
O=C(Oc1ccc2ccccc2c1)c1cc(NCc2cc(O)ccc2O)ccc1O,0.0
O=C(Oc1cccc2ccccc12)c1cc(NCc2cc(O)ccc2O)ccc1O,0.0
Nc1ccc(-c2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)cc1,0.0
Oc1cccc(Nc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)c1,0.0
NC(=O)C[N@H+]1CC[C@H](n2cc(-c3cccc(O)c3)c3c(N)ncnc32)CC1,0.0
O=c1c(-c2cccc(Cl)c2)c[nH]c2cc(O)cc(O)c12,0.0
O=C(OCc1ccccc1)c1cc(NCc2cc(O)ccc2O)ccc1O,0.0
Cc1cccc(Nc2ncnc3n[nH]c(Nc4cccc(Cl)c4)c23)c1,0.0
O=C(OCCc1ccccc1)c1cc(NCc2cc(O)ccc2O)ccc1O,0.0
Brc1cccc(Nc2ncnc3cc4ccccc4cc23)c1,0.0
C[N@H+]1CC[C@H](Nc2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)CC1,0.0
O=C(NOCc1ccccc1)c1cc(NCc2cc(O)ccc2O)ccc1O,0.0
Clc1cccc(Nc2ncnc3n[nH]c(NCc4ccccc4)c23)c1,0.0
Fc1ccc(Nc2ncnc3nn4ccccc4c23)cc1Cl,0.0
Clc1cccc(Nc2[nH]nc3ncnc(NCc4ccccc4)c23)c1,0.0
Clc1cccc(Nc2ncnc3n[nH]c(-c4ccccc4)c23)c1,0.0
O=C(OCCCc1ccccc1)c1cc(NCc2cc(O)ccc2O)ccc1O,0.0
Brc1cccc(Nc2ncnc3cc4nccnc4cc23)c1,0.0
CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21,0.0
Clc1cccc(Nc2ncnc3[nH]c4ccccc4c23)c1,0.0
O=C(OCCCCc1ccccc1)c1cc(NCc2cc(O)ccc2O)ccc1O,0.0
O=C(/C=C/C(=O)Nc1cc2c(Nc3cccc(Br)c3)ncnc2cn1)NCCCn1cc[nH+]c1,0.0
Nc1nccc(C#Cc2cncnc2Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)n1,0.0
O=C(/C=C/C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cn1)NCCCN1CCOCC1,0.0
Nc1ncnc2c1c(-c1ccccc1)nn2-c1ccccc1,0.0
COc1ccc(CNc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)cc1,0.0
Nc1ncnc2c1c(-c1cccc(O)c1)cn2C1CCCC1,0.0
C=CC(=O)Nc1ccc2ncnc(Cc3ccc(F)c(Cl)c3)c2n1,0.0
Brc1cccc(Nc2ncnc3c2[nH]c2ccccc23)c1,0.0
O=C(CNC(=O)Oc1ccccc1)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1,0.0
Brc1cccc(Nc2ncnc3cc4ncsc4cc23)c1,0.0
Brc1cccc(Nc2ncnc3cc4[nH]ccc4cc23)c1,0.0
Brc1cccc(Nc2ncnc3c2oc2ccccc23)c1,0.0
Fc1ccc(Nc2ncnc3ccc(C#Cc4ccccc4)cc23)cc1Cl,0.0
Brc1cccc(Nc2ncnc3cc4c(cc23)OCO4)c1,0.0
Brc1cccc(Nc2ncnc3cc4n[nH]nc4cc23)c1,0.0
C=CC(=O)Nc1ccc2ncnc(Cc3cccc(C)c3)c2c1,0.0
O=C(c1ccccc1Cl)c1oc2cc(O)ccc2c1-c1cccc2ccccc12,0.0
O=C(c1ccccc1Cl)c1oc2cc(O)ccc2c1-c1ccccc1,0.0
O=C1CC[C@@H]2c3cc(O)ccc3O[C@H](c3ccc(O)cc3)[C@@H]2C1,0.0
Oc1ccc([C@H]2Oc3ccc(O)cc3[C@H]3CCCC[C@H]32)cc1,0.0
Oc1ccc([C@H]2Oc3ccc(O)cc3[C@H]3CCCCC[C@H]32)cc1,0.0
Oc1ccc(-c2nn(Cc3ccccc3)c3c(Cl)cccc23)cc1,0.0
CC[C@]12CCC(=O)C(c3ccc(O)cc3)=C1c1ccc3n[nH]nc3c1C2,0.0
O=C1C[C@@H](c2ccc(O)cc2)Oc2c(Cc3ccccc3)c(O)cc(O)c21,0.0
Oc1ccc(-c2cc(-c3ccc(O)cc3)cc(-c3ccc(O)cc3)c2)cc1,0.0
CC1=C2c3ccc4n[nH]nc4c3C[C@]2(Cc2ccc(F)cc2)CCC1=O,0.0
Oc1ccc(-c2ccc3cc(O)ccc3c2)c(Cl)c1,0.0
COc1ccccc1Cc1c(C(=O)c2ccccc2Cl)oc2cc(O)ccc12,0.0
Oc1ccc2c(-c3cccc4c(O)cccc34)noc2c1,0.0
O=S(=O)(c1ccccc1)N1Cc2cc(O)ccc2[C@@H](c2ccc(O)cc2)C1,0.0
O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12,0.0
Oc1ccc2c(-c3nc4ccc(O)cc4o3)cccc2c1,0.0
Oc1ccc(C2=c3ccc4n3[C@@H]3C(=CC=4)CCCC[C@@H]23)cc1,0.0
CC1=C2c3ccc(O)cc3C[C@]2(Cc2ccccc2)CCC1=O,0.0
CCCC[C@]12CCC(=O)C(C3CC3)=C1c1ccc3[nH]ncc3c1C2,0.0
O=c1c2c(O)cc(O)cc2oc2oc3cc(O)ccc3c12,0.0
Oc1ccc([C@H]2C[N@H+](Cc3ccccc3)Cc3cc(O)ccc32)cc1,0.0
Cc1cc(-c2cc(-c3ccccc3)cc(N(C)Cc3ccccc3)[nH+]2)ccc1O,0.0
Oc1ccc(-c2nn(C3CCCC3)c3c(F)cccc23)cc1,0.0
Oc1ccc(C2=C(Cc3ccccc3)c3ccc(O)cc3C2)cc1,0.0
CCCC[C@]12CCC(=O)C(c3ccco3)=C1c1ccc(O)cc1C2,0.0
CCCC[C@]12CCC(=O)C(c3ccccc3)=C1c1ccc(O)cc1C2,0.0
O=c1c2oc3cc(O)ccc3c2oc2cc(O)cc(O)c12,0.0
Cc1cc(-c2cc(-c3ccccc3)cc(N(C)CCc3ccccc3)[nH+]2)ccc1O,0.0
Oc1ccc(C2=c3ccc4n3[C@@H](C=CC=4)[C@H]2CCc2ccccc2)cc1,0.0
O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,0.0
Oc1ccc2cc(-c3noc4cc(O)ccc34)ccc2c1,0.0
O=C(c1ccccc1Cl)c1oc2cc(O)ccc2c1-c1cccc2ccccc12,0.0
Oc1ccc(C2=Cc3cc(O)ccc3C23Cc2ccccc2C3)cc1,0.0
NC(=O)c1ccc(C2=C(c3ccc(O)cc3)Cc3cc(O)ccc32)cc1,0.0
Oc1ccc2nc(-c3ccc(O)c(F)c3)cc(-c3ccccc3)c2c1,0.0
O=C(c1ccccc1Cl)c1oc2cc(O)ccc2c1-c1ccccc1,0.0
O=C1CC[C@@H]2c3cc(O)ccc3O[C@H](c3ccc(O)cc3)[C@@H]2C1,0.0
Oc1ccc([C@H]2Oc3ccc(O)cc3[C@H]3CCCC[C@H]32)cc1,0.0
Oc1ccc([C@H]2Oc3ccc(O)cc3[C@H]3CCCCC[C@H]32)cc1,0.0
O=C1CC[C@@H]2[C@H](C1)c1cc(O)ccc1O[C@@H]2c1ccc(O)cc1,0.0
Oc1ccc2c(ccc3c4ccccc4ccc23)c1O,0.0
CC[C@]12CCC(=O)C(c3ccc(O)cc3)=C1c1ccc3n[nH]nc3c1C2,0.0
O=C1C[C@@H](c2ccc(O)cc2)Oc2c(Cc3ccccc3)c(O)cc(O)c21,0.0
O=C1c2ccccc2C(=O)C12C(c1ccc(O)cc1)=Cc1cc(O)ccc12,0.0
Cc1cc(-c2cc(-c3ccccc3)cc(N(C)CC(C)C)[nH+]2)ccc1O,0.0
O/N=C/c1ccc(-c2ccc(O)c(F)c2)c2ccccc12,0.0
O=C1CC[C@]2(Cc3ccccc3)Cc3cc(O)ccc3C2=C1c1ccc(O)cc1,0.0
Oc1ccc2c(-c3cccc4c(O)cccc34)noc2c1,0.0
O=S(=O)(c1ccccc1)N1Cc2cc(O)ccc2[C@@H](c2ccc(O)cc2)C1,0.0
Oc1ccc(C2=Cc3cc(O)ccc3[C@]23Cc2ccc(OCC[NH+]4CCCCC4)cc2C3)cc1,0.0
Oc1ccc(C2=c3ccc4n3[C@@H]3C(=CC=4)CCC[C@@H]23)cc1,0.0
O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12,0.0
C[C@]12CCc3c(ccc4cc(O)ccc34)[C@@H]1CC[C@H]2O,0.0
CCCC[C@]12CCC(=O)C(c3ccco3)=C1c1ccc3n[nH]nc3c1C2,0.0
Oc1ccc2c(-c3nc4ccc(O)cc4o3)cccc2c1,0.0
Oc1ccc([C@@H]2Oc3ccc(O)cc3[C@@H]3CCC[C@@H]32)cc1,0.0
Oc1ccc(C2=c3ccc4n3[C@@H]3C(=CC=4)CCCC[C@@H]23)cc1,0.0
Oc1ccc(-c2nc3cc(O)cc(C4CCCC4)c3o2)cc1,0.0
O=C(N1Cc2cc(O)ccc2[C@H](c2ccc(O)cc2)C1)C(F)(F)F,0.0
O=c1c2c(O)cc(O)cc2oc2oc3cc(O)ccc3c12,0.0
Oc1ccc([C@H]2C[N@H+](Cc3ccccc3)Cc3cc(O)ccc32)cc1,0.0
Oc1ccc(-n2c(-c3ccccc3)nc3ccccc32)cc1,0.0
Oc1ccc(C2=COc3cc(O)ccc3C2)cc1,0.0
Oc1ccc(C2=C(Cc3ccccc3)c3ccc(O)cc3C2)cc1,0.0
CCCC[C@]12CCC(=O)C(c3ccco3)=C1c1ccc(O)cc1C2,0.0
CCCC[C@]12CCC(=O)C(c3ccccc3)=C1c1ccc(O)cc1C2,0.0
O=c1c2oc3cc(O)ccc3c2oc2cc(O)cc(O)c12,0.0
Cc1cc(-c2cc(-c3ccccc3)cc(N(C)CCc3ccccc3)[nH+]2)ccc1O,0.0
Oc1ccc(C2=c3ccc4n3[C@@H](C=CC=4)[C@H]2CCc2ccccc2)cc1,0.0
O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,0.0
Oc1ccc2c(c1)CCN(c1ccccc1)[C@H]2CC1CCCCC1,0.0
Oc1ccc2cc(-c3noc4cc(O)ccc34)ccc2c1,0.0
Oc1ccc2nc(-c3ccc(O)c(F)c3)cc(Br)c2c1,0.0
CC[C@H]1Oc2c(ccc(O)c2C)-c2c(C)cc(O)c(C)c21,0.0
NC(=[NH2+])c1cccc(Cn2c(C(=O)NCc3cc(Cl)cc(Cl)c3)cc3c(O)cccc32)c1,0.0
C[NH+](C)Cc1ccccc1-c1ccc(N2CCCc3c(C(F)(F)F)nn(-c4ccc5onc(N)c5c4)c3C2=O)cc1,0.0
[O-][n+]1ccccc1C(F)(F)CNc1nccc2oc(Cc3cccc(Cl)c3)nc12,0.0
[NH2+]=C(c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCCCC1,0.0
Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Nc3ccc(-c4ccccc4C[NH2+]C4CCCC4)cc3F)cc12,0.0
[O-][n+]1ccccc1C(F)(F)CNc1nccc2oc(Cc3ccccc3-n3cnnn3)nc12,0.0
[NH2+]=C(c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCOCC1,0.0
NC(=[NH2+])c1ccc(O)c(/C=C/CNC(=O)c2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1,0.0
c1ccc(-n2cnnn2)c(Cc2nc3c(NCC[C@@H]4CCCC[NH2+]4)nccc3o2)c1,0.0
Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Nc3ccc(-c4ccccc4C[NH+]4CCCC4)cc3F)cc12,0.0
Cc1cc2oc(Cc3ccccc3-n3cncn3)nc2c(NCC(F)(F)c2cccc[n+]2[O-])n1,0.0
Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Nc3ccc(-c4ccccc4C[NH2+]C4CCC4)cc3F)cc12,0.0
NC(=[NH2+])c1cccc(OCCNC(=O)c2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1,0.0
Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Nc3ccc(-c4ccccc4C[NH+]4CCCCC4)cc3F)cc12,0.0
NC1=[NH+]CCCCN1Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1,0.0
CN1CC[NH+]=C1N(C)Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1,0.0
C[N+]1(Cc2ccccc2-c2ccc(NC(=O)c3cc(C(F)(F)F)nn3-c3ccc4onc(N)c4c3)c(F)c2)CCOCC1,0.0
C[N+](C)(C)Cc1ccccc1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3onc(N)c3c2)c(F)c1,0.0
Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Nc3ccc(-c4ccccc4C[NH2+]CC4CC4)cc3F)cc12,0.0
[NH2+]=C(c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCC1,0.0
COC(=O)[C@H](Cc1cccc(C(N)=[NH2+])c1)[C@@H](C)NC(=O)c1ccc(-c2ccccn2)cc1,0.0
COC(=O)C[C@H](CCc1ccc(NC(N)=[NH2+])cc1)c1cccc(C(N)=[NH2+])c1,0.0
[NH2+]=C(c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCCC1,0.0
Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Nc3ccc(-c4ccccc4C[n+]4ccccc4)cc3F)cc12,0.0
O=C1[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCCN1c1ccc(-n2ccccc2=O)cc1F,0.0
O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(-c2ccccc2N2CCC(C(=O)[O-])CC2)cc1,0.0
O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(-c2cccc(N3CCCC3)c2)cc1,0.0
NS(=O)(=O)c1ccccc1-c1ccc(C(=O)NCCNC(=O)c2ccc(Cl)s2)cc1,0.0
Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Nc3ccc(-c4ccccc4C[NH+]4CC4)cc3F)cc12,0.0
CS(=O)(=O)c1ccccc1-c1ccc(N2CC[C@@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1,0.0
Cc1nccn1-c1cccc(Oc2cc(C(=O)[O-])cc(Oc3cc(C(N)=[NH2+])ccc3O)n2)c1,0.0
CC(=[NH2+])N1CCN(Cc2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cn3)cc2)CC1,0.0
[NH2+]=C1OCCN1Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1,0.0
N/C(=N/O)N1CCC(CNC(=O)[C@@H]2CC[C@H]3CN(S(=O)(=O)C(c4ccccc4)c4ccccc4)CC(=O)N32)CC1,0.0
C[C@H](NC(=O)[C@@H](CCc1ccccn1)NS(=O)(=O)Cc1ccccc1)C(=O)NCc1cc(Cl)ccc1C[NH3+],0.0
O=C(NCc1cccc(-c2cccc(-c3cc4c[nH+]ccc4[nH]3)c2O)c1)N(O)Cc1ccccc1,0.0
C[C@@H](NC(=O)CNC(=O)Nc1ccc(C(N)=[NH2+])cc1)c1ccc(Cc2ccccc2)cc1,0.0
O=C(NCc1cccc(-c2cccc(-c3cc4c[nH+]ccc4[nH]3)c2O)c1)[C@H](O)c1ccccc1,0.0
O=C(NCCc1ccccc1)NCc1cccc(-c2cccc(-c3cc4c[nH+]ccc4[nH]3)c2O)c1,0.0
C[C@@H](NC(=O)CNC(=O)Nc1ccc(C(N)=[NH2+])cc1)c1ccc(Oc2ccccc2)cc1,0.0
Nc1[nH+]ccc2[nH]c(-c3cc(C(=O)[O-])cc(-c4cccc(CNC(=O)[C@@H](O)Cc5ccccc5)c4)c3O)cc12,0.0
C[C@@H](NC(=O)CNC(=O)Nc1ccc(C(N)=[NH2+])cc1)c1ccc2c(c1)NC(=O)CO2,0.0
CCOc1cc(O[C@H]2CC[C@H](O)CC2)cc([C@@H](Nc2ccc(C(N)=[NH2+])cc2)C(=O)[O-])c1,0.0
CC(C)CCN(Cc1ccc2ccc(C(N)=[NH2+])cc2c1)C(=O)c1ccc2ccccc2c1,0.0
C[C@@H](NC(=O)CNC(=O)Nc1ccc(C(N)=[NH2+])cc1)c1cccc(OCc2ccccc2)c1,0.0
COc1cccc(COc2ccc([C@@H](C)NC(=O)CNC(=O)Nc3ccc(C(N)=[NH2+])cc3)cc2)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)c1ccc2ccccc2c1,0.0
COc1ccc(Oc2ccc([C@@H](C)NC(=O)CNC(=O)Nc3ccc(C(N)=[NH2+])cc3)cc2)cc1,0.0
CCOc1cc(O[C@H]2CC[N@H+](C)CC2)cc([C@@H](Nc2ccc(C(N)=[NH2+])cc2)C(=O)[O-])c1,0.0
CC(C)N(c1c(F)c(Oc2cccc(C(N)=[NH2+])c2)nc(Oc2ccc(-c3ccccn3)cc2C(=O)[O-])c1F)C(C)C,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(C(F)(F)F)cc1C(F)(F)F,0.0
CCCCCNC(=O)NCc1cccc(-c2cccc(-c3cc4c[nH+]ccc4[nH]3)c2O)c1,0.0
CCc1cc(OC2CCOCC2)cc([C@@H](Nc2ccc(C(N)=[NH2+])cc2)C(=O)[O-])c1,0.0
COc1cc([C@@H](Nc2ccc(C(N)=[NH2+])cc2)C(=O)[O-])ccc1OCc1ccccc1,0.0
Nc1cccc(-c2c(Cl)nc(NC3CCC3)c(=O)n2CC(=O)NCc2ccccc2)c1,0.0
O=C(NCc1cccc(-c2cccc(-c3cc4c[nH+]ccc4[nH]3)c2O)c1)[C@@H](CO)c1ccccc1,0.0
NC(=O)NCc1cccc(-c2cccc(-c3cc4c[nH+]ccc4[nH]3)c2O)c1,0.0
NC(=[NH2+])c1ccc2[nH]c(-c3cc(CC(=O)[O-])cc(-c4cccc(-c5nnn[n-]5)c4)c3O)cc2c1,0.0
Cc1cccc(C(=O)Nc2ccc([C@H](C)NC(=O)CNC(=O)Nc3ccc(C(N)=[NH2+])cc3)cc2)c1,0.0
C[C@@H](NC(=O)CNC(=O)Nc1ccc(C(N)=[NH2+])cc1)c1ccc(OCc2cccc(Cl)c2)cc1,0.0
Nc1ccc2[nH]c(-c3cc(CC(=O)[O-])cc(-c4cccc(CNC(=O)Nc5ccccc5)c4)c3O)cc2[nH+]1,0.0
CC(C)N(c1c(F)c(Oc2cccc(C(N)=[NH2+])c2)nc(Oc2ccc(-c3ncccn3)cc2C(=O)[O-])c1F)C(C)C,0.0
C#Cc1cc(OC2CCOCC2)cc([C@@H](Nc2ccc(C(N)=[NH2+])cc2)C(=O)[O-])c1,0.0
CCCNC(=O)c1ccc(Oc2nc(Oc3cccc(C(N)=[NH2+])c3)c(F)c(N(C(C)C)C(C)C)c2F)c(C(=O)[O-])c1,0.0
Nc1ccc2[nH]c(-c3cc(CC(=O)[O-])cc(-c4cccc(CNC(=O)Nc5cccnc5)c4)c3O)cc2[nH+]1,0.0
CC(C)CNC(=O)c1ccc(Oc2nc(Oc3cccc(C(N)=[NH2+])c3)c(F)c(N(C(C)C)C(C)C)c2F)c(C(=O)[O-])c1,0.0
C[C@@H](NC(=O)CNC(=O)Nc1ccc(C(N)=[NH2+])cc1)c1ccc(C(=O)Nc2ccccc2)cc1,0.0
O=C(NCc1cccc(-c2cccc(-c3cc4c[nH+]ccc4[nH]3)c2O)c1)Nc1cccnc1,0.0
NC(=[NH2+])c1ccc2nc(-c3cc(Cl)cc(-c4cccc(N)c4)c3O)[nH]c2c1,0.0
CC(C)N(c1c(F)c(Oc2cccc(C(N)=[NH2+])c2)nc(Oc2ccc(C(=O)NC3CC3)cc2C(=O)[O-])c1F)C(C)C,0.0
O=C(NCc1cccc(-c2cccc(-c3cc4c[nH+]ccc4[nH]3)c2O)c1)Nc1cccs1,0.0
CCOc1cc(-c2ccccc2)cc([C@@H](Nc2ccc(C(N)=[NH2+])cc2)C(=O)[O-])c1,0.0
NC(=[NH2+])c1ccc(CNC(=O)Cn2c(-c3cccc(N)c3)c(Cl)nc(NCCc3ccccc3)c2=O)cc1,0.0
COc1cc([C@@H](Nc2ccc(C(N)=[NH2+])cc2)C(=O)N[C@H](C(=O)[O-])c2ccccc2)ccc1OCc1ccccc1,0.0
O=C(NCc1cccc(-c2cccc(-c3cc4c[nH+]ccc4[nH]3)c2O)c1)Nc1ccsc1,0.0
O=C([O-])c1cccc2c3c(n(Cc4ccccc4C(F)(F)F)c12)CCCC3,0.0
NC(=O)c1cccc(Cn2c3c(c4cccc(C(=O)[O-])c42)CCCCC3)c1,0.0
O=C([O-])Cc1cccc(OCc2ccccc2Cl)c1OCc1ccccc1Cl,0.0
O=C([O-])[C@@H](O)c1cccc(OCc2ccccc2Cl)c1OCc1ccccc1Cl,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-])c1ccc2c3c(n(Cc4ccccc4)c2c1)CCCC3,0.0
O=C([O-])c1cccc2c3c(n(Cc4ccccc4F)c12)CCCCC3,0.0
O=C([O-])c1cccc2c3c(n(Cc4ccccc4)c12)CCCC3,0.0
O=C([O-])C(=O)c1cccc(OCc2ccccc2Cl)c1OCc1ccccc1Cl,0.0
O=C([O-])c1cccc2c3c(n(Cc4ccccc4C(F)(F)F)c12)CCCCC3,0.0
O=C([O-])c1cccc2c3c(n(Cc4cccc(F)c4)c12)CCCCC3,0.0
O=C([O-])c1cccc2c3c(n(Cc4ccccc4)c12)CCCCC3,0.0
O=C([O-])c1cccc2c3c(n(Cc4ccccc4)c12)CCC3,0.0
COc1ccccc1Cn1c2c(c3cccc(C(=O)[O-])c31)CCCC2,0.0
NC(=O)c1ccccc1Cn1c2c(c3cccc(C(=O)[O-])c31)CCCCC2,0.0
O=C([O-])CCCCOc1ccccc1-c1nc(-c2ccccc2)c(-c2ccccc2)o1,0.0
CO[C@@H](C(=O)[O-])c1cccc(OCc2ccccc2Cl)c1OCc1ccccc1Cl,0.0
O=C([O-])CCCn1c2ccccc2c2ccccc21,0.0
COc1cccc(Cn2c3c(c4cccc(C(=O)[O-])c42)CCCC3)c1,0.0
CCCn1c2c(c3cccc(C(=O)[O-])c31)CCCC2,0.0
O=C([O-])c1cccc2c3c(n(Cc4ccc(F)cc4)c12)CCCCC3,0.0
CCCCCCCC/C=C\CCCCCCCC(=O)[O-],0.0
O=C([O-])COc1cccc(-c2ccccc2-c2cc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1,0.0
Cn1c(-c2ccccc2-c2cccc(OCC(=O)[O-])c2)nc(-c2ccccc2)c1-c1ccccc1,0.0
O=C([O-])COc1cccc(-c2ccccc2-c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1,0.0
O=C([O-])COc1cccc(-c2ccccc2-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1,0.0
Cn1c(-c2ccccc2-c2cccc(NCC(=O)[O-])c2)nc(-c2ccccc2)c1-c1ccccc1,0.0
CCn1c(-c2ccccc2-c2cccc(NCC(=O)[O-])c2)nc(-c2ccccc2)c1-c1ccccc1,0.0
CCn1c(-c2ccccc2-c2cccc(OCC(=O)[O-])c2)nc(-c2ccccc2)c1-c1ccccc1,0.0
CCc1c(-c2ccccc2-c2cccc(OCC(=O)[O-])c2)oc(-c2ccccc2)c1-c1ccccc1,0.0
CCCCCCCCCCCCCCCC(=O)[O-],0.0
CCc1c(-c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1-c1cccc(OCC(=O)[O-])c1,0.0
CCc1c(-c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1-c1cccc(C(=O)[O-])c1,0.0
CC(C)Cn1c(-c2ccccc2-c2cccc(NCC(=O)[O-])c2)nc(-c2ccccc2)c1-c1ccccc1,0.0
Cc1cccc(Nc2ncc3ccn(-c4ccccn4)c3n2)c1,0.0
COc1cccc(Nc2ncc3ccn(-c4ccccn4)c3n2)c1,0.0
CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4c(c3)CCC(=O)N4)ncc2C(F)(F)F)c1,0.0
c1ccc(-n2ccc3cnc(Nc4cccc5c4CCCC5)nc32)nc1,0.0
O=C1Cc2cc(Nc3ncc(Cl)c(NCc4ccccn4)n3)ccc2N1,0.0
CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4c(c3)CC(=O)N4)ncc2C(F)(F)F)c1,0.0
Cc1ccccc1Nc1ncc2ccn(-c3ccccn3)c2n1,0.0
CCc1ccccc1Nc1ncc2ccn(-c3ccccn3)c2n1,0.0
Cc1ccc(-c2cnc3ccccc3n2)cc1Nc1ncc2ccn(-c3ccccn3)c2n1,0.0
O=C1Cc2cc(Nc3ncc(C(F)(F)F)c(NCc4ccccc4)n3)ccc2N1,0.0
FC(F)(F)c1cnc(Nc2ccc3[nH]ncc3c2)nc1NCc1ccccn1,0.0
CS(=O)(=O)c1ccccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F,0.0
COc1ccccc1Nc1ncc2ccn(-c3ccccn3)c2n1,0.0
O=C1Cc2cc(Nc3ncc(C(F)(F)F)c(NCc4ccccn4)n3)ccc2N1,0.0
O=C1Cc2cc(Nc3ncc(Br)c(NCc4ccccn4)n3)ccc2N1,0.0
N#Cc1cnc(Nc2ccc3c(c2)CC(=O)N3)nc1NCc1ccccn1,0.0
COc1ccc(C)c(Nc2ncc3ccn(-c4ccccn4)c3n2)c1,0.0
Cc1cc(Nc2cc(N3CC[NH+](C)CC3)nc(/C=C/c3ccccc3)n2)[nH]n1,0.0
CN(c1ccccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O,0.0
O=C1Cc2cc(Nc3ncc(C(F)(F)F)c(N[C@@H]4CCCCNC4=O)n3)ccc2N1,0.0
Cc1ccc(C(N)=O)cc1Nc1ncc2ccn(-c3ccccn3)c2n1,0.0
O=C1CCc2cc(Nc3ncc(C(F)(F)F)c(NCc4ccccn4)n3)ccc2N1,0.0
Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)nc12,0.0
CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O,0.0
COc1cc(Nc2ncc3ccn(-c4cccc(Cc5nnn[n-]5)c4)c3n2)cc(OC)c1OC,0.0
COc1cc(Nc2ncc3ccn(-c4cccc(-c5nnn[n-]5)c4)c3n2)cc(OC)c1OC,0.0
COc1cc(Nc2ncc3ccn(-c4cccc(C(=O)[O-])c4)c3n2)cc(OC)c1OC,0.0
COc1cc(Nc2ncc3ccn(-c4cccc(C)c4)c3n2)cc(OC)c1OC,0.0
COc1cc(Nc2ncc3ccn(-c4cccc(C(F)(F)F)c4)c3n2)cc(OC)c1OC,0.0
COc1cc(Nc2ncc3ccn(-c4ccccc4CO)c3n2)cc(OC)c1OC,0.0
CCOC(=O)Cc1cnc(Nc2cc(OC)c(OC)c(OC)c2)nc1Nc1ccccn1,0.0
COc1cc(Nc2ncc3ccn(-c4ccnc(Cl)c4)c3n2)cc(OC)c1OC,0.0
CN(c1cccc(CNc2nc(Nc3ccc4c(c3)CC(=O)N4)ncc2C(F)(F)F)c1)S(C)(=O)=O,0.0
COc1cc(Nc2ncc3ccn(-c4cccc(C#N)c4)c3n2)cc(OC)c1OC,0.0
COc1cc(Nc2ncc3ccn(-c4cccc(C(=O)NCC[NH+]5CCCC5)c4)c3n2)cc(OC)c1OC,0.0
Nc1ncc(NC(=O)c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2Cl)cc1Cl,0.0
COc1cc(Nc2ncc3ccn(-c4ccnc(Cl)n4)c3n2)cc(OC)c1OC,0.0
COc1cc(Nc2ncc3ccn(-c4cccc(CCc5nnn[n-]5)c4)c3n2)cc(OC)c1OC,0.0
COc1cc(Nc2ncc3ccn(-c4cccc(CC(=O)[O-])c4)c3n2)cc(OC)c1OC,0.0
O=C1Cc2cc(Nc3ncc(C(F)(F)F)c(NCc4ccccc4S(=O)(=O)N4CCCC4)n3)ccc2N1,0.0
COc1cc(Nc2ncc3ccn(-c4cnccc4F)c3n2)cc(OC)c1OC,0.0
COc1cc(Nc2ncc3ccn(-c4ccc(C)cc4)c3n2)cc(OC)c1OC,0.0
COc1cc(Nc2ncc3ccn(-c4cccc(CC#N)c4)c3n2)cc(OC)c1OC,0.0
CNC(=O)c1cccc(-n2ccc3cnc(Nc4cc(OC)c(OC)c(OC)c4)nc32)c1,0.0
Oc1ccc(C[C@@]2(O)COc3c(ccc(O)c3O)[C@H]2O)cc1O,0.0
Oc1ccc(CC2=Cc3ccc(O)c(O)c3OC2)cc1O,0.0
Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=O)c1c(F)cccc1F,0.0
COc1cc(OC)cc(-c2cc3cnc(N)cc3nc2NC(=O)Nc2ccccc2)c1,0.0
c1ccc(COc2ccc3c(-c4nc5cc(N6CCC([NH+]7CCCCC7)CC6)ccc5[nH]4)n[nH]c3c2)cc1,0.0
c1ccc2c(-c3nc4ccc(OCCC[NH+]5CCCC5)cc4[nH]3)n[nH]c2c1,0.0
O=c1[nH]c2ccccc2c(NCC2CC[NH2+]CC2)c1-c1nc2ccccc2[nH]1,0.0
COc1cc(OC)cc(-c2cc3cnc(NCCCN4CC[NH+](C)CC4)cc3nc2NC(=O)NC(C)(C)C)c1,0.0
COc1cc(OC)cc(-c2cc3cnc(NCCCN4CC[NH+](C)CC4)nc3nc2NC(=O)NC(C)(C)C)c1,0.0
FC(F)(F)c1ccc2c(-c3nc4cc(N5CCC([NH+]6CCCCC6)CC5)ccc4[nH]3)n[nH]c2c1,0.0
COc1cc(OC)cc(-c2cc3cnc(NCCCC[NH+]4CCN(C)CC4)cc3nc2NC(=O)NC(C)(C)C)c1,0.0
COc1cc(OC)cc(-c2cc3cnc(NCCCN4CCOCC4)nc3nc2NC(=O)NC(C)(C)C)c1,0.0
COc1cc(OC)cc(-c2cc3cnc(NCCCCOc4ccccc4)cc3nc2NC(=O)NC(C)(C)C)c1,0.0
COc1cc(OC)cc(-c2cc3cnc(NCCCN4CCOCC4)cc3nc2NC(=O)NC(C)(C)C)c1,0.0
Nc1c(-c2nc3ccccc3[nH]2)c(=O)[nH]c2cnccc12,0.0
c1ccc(COc2cccc3[nH]nc(-c4nc5cc(N6CCC([NH+]7CCCCC7)CC6)ccc5[nH]4)c23)cc1,0.0
Nc1c(-c2nc3ncccc3[nH]2)c(=O)[nH]c2ccccc12,0.0
COc1cc(OC)cc(-c2cc3cnc(NCCCOc4ccccc4)cc3nc2NC(=O)NC(C)(C)C)c1,0.0
COc1cc(OC)cc(-c2cc3cnc(NCCCCCOc4ccccc4)cc3nc2NC(=O)NC(C)(C)C)c1,0.0
Cc1cc(Nc2cc(N3CC[NH+](C)CC3)nc(/C=C/c3ccccc3)n2)[nH]n1,0.0
COc1cc(OC)cc(-c2cc3cnc(NCCCCC[NH+]4CCN(C)CC4)cc3nc2NC(=O)NC(C)(C)C)c1,0.0
COc1cc(OC)cc(-c2cc3cnc(NCCCCN4CCOCC4)cc3nc2NC(=O)NC(C)(C)C)c1,0.0
COc1cccc(NC(=O)Nc2nc3nc(NCCCN4CC[NH+](C)CC4)ncc3cc2-c2c(Cl)cccc2Cl)c1,0.0
COc1cc(OC)cc(-c2cc3cnc(NCCCCCN4CCOCC4)cc3nc2NC(=O)NC(C)(C)C)c1,0.0
COCCOc1cc2ncnc(Nc3cc(O)c(Cl)cc3F)c2cc1OC,0.0
Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1N1Cc2cnc(N)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
c1ccc(COc2ccc3[nH]nc(-c4nc5cc(N6CCC([NH+]7CCCCC7)CC6)ccc5[nH]4)c3c2)cc1,0.0
C[NH+]1CCN(CCCNc2ncc3cc(-c4c(Cl)cccc4Cl)c(NC(=O)NC4CCCCC4)nc3n2)CC1,0.0
Nc1c(-c2nc3ncccc3[nH]2)c(=O)[nH]c2cnccc12,0.0
CC(=O)Oc1ccc2[nH]c(C(=O)c3cc4ccccc4[nH]3)cc2c1,0.0
C[C@@H]1CCCC[N@@H+]1CCCNc1ncc2cc(-c3c(Cl)cccc3Cl)c(NC(=O)NC(C)(C)C)nc2n1,0.0
C[NH+]1CCN(c2ccc3nc(-c4c(N)c5cc(NCc6ccccc6)ccc5[nH]c4=O)[nH]c3c2)CC1,0.0
C[NH+]1CCN(c2ccc3nc(-c4c(N)c5cc(NC(=O)c6ccccc6)ccc5[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
C[N@@H+]1CCCN(c2ccc3nc(-c4c(N)c5ccccc5[nH]c4=O)[nH]c3c2)CC1,0.0
CN1CC[NH+](CCCCNc2ncc3cc(-c4c(Cl)cccc4Cl)c(NC(=O)NC(C)(C)C)nc3n2)CC1,0.0
Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccc(CN4CC[NH+](C)CC4)cc3)nc21,0.0
Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccc(N4CC[NH+](C)CC4)cc3)cc21,0.0
O=C(C(=O)N1CCC[C@H]1C(=O)CCCCc1ccccc1)C1CCCCC1,0.0
CCC(C)(C)C(=O)C(=O)N1CCCC[C@@H]1C(=O)OC(CCc1ccccc1)CCc1ccccc1,0.0
O=C(OCCCc1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccccc1,0.0
CCC(C)(C)C(=O)C(=O)N1CCCC[C@@H]1C(=O)O[C@H](CCc1ccccc1)c1ccccc1,0.0
O=C(C(=O)N1CCC[C@H]1C(=O)OCCCc1ccccc1)C1CCCCC1,0.0
COc1ccc(CCCOC(=O)[C@@H]2CCCN2S(=O)(=O)Cc2ccccc2)cc1,0.0
CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)O[C@H](CCc1ccccc1)c1ccccc1,0.0
O=C(C(=O)N1CCCC[C@H]1C(=O)OCCCc1ccccc1)C1CCCCC1,0.0
CCc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NCCCc2ccccc2)cc1,0.0
O=C(C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCCc1ccccc1)CCCc1ccccn1)c1ccccc1,0.0
COc1ccc(CCCCOC(=O)[C@@H]2CCCCN2C(=O)C(=O)C2CCCCC2)cc1,0.0
O=C(OCCCc1cccnc1)[C@H]1CCCN1S(=O)(=O)Cc1ccccc1,0.0
O=C(C(=O)N1CCC[C@H]1C(=O)OCCCc1cccnc1)C1CCCCC1,0.0
O=C(OCCCc1cccnc1)[C@@H]1CCCN1C(=S)N[C@H]1[C@@H]2C[C@H]3C[C@@H](C2)C[C@@H]1C3,0.0
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
O=C(NCCCc1ccccc1)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1,0.0
CC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)CCCc1ccccc1,0.0
O=C(NCCCCc1ccccc1)[C@@H]1CCCCN1S(=O)(=O)Cc1ccccc1,0.0
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)N1CCC[C@@H]1C(=O)OCCCc1ccccc1,0.0
CC(C)(C)C(=O)C(=O)N1CCCC[C@@H]1C(=O)OC(CCCc1ccccc1)CCCc1ccccc1,0.0
O=C(OCCCc1cccnc1)[C@@H]1CCCN1C(=S)NC1CCCCC1,0.0
O=C(SCCCc1ccccc1)[C@@H]1[C@@H]2CC[C@@H](C2)N1S(=O)(=O)Cc1ccccc1,0.0
O=C(OCCCCc1ccccc1)[C@@H]1CCCCN1S(=O)(=O)Cc1ccccc1,0.0
CCC(C)(C)C(=O)C(=O)N1CCC[C@@H]1C(=O)OCCCc1ccc2c(c1)OCO2,0.0
CCC(C)(C)C(=O)C(=O)N1CCCC[C@@H]1C(=O)OC(CCCc1ccccc1)CCCc1ccccc1,0.0
O=C(C(=O)N1CCCC[C@@H]1C(=O)OCCCc1cccnc1)c1ccccc1,0.0
COc1ccc(CCCOC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)cc1,0.0
CCC(C)(C)C(=O)C(=O)N1CCC[C@@H]1C(=O)OCCCC1CCCCC1,0.0
CC(C)(C)C(=O)C(=O)N1CCC[C@@H]1C(=O)OCCCc1cccnc1,0.0
CCC(C)(C)C(=O)C(=O)N1[C@H]2CC[C@H](C2)[C@H]1C(=O)OCCCc1ccccc1,0.0
COc1ccc(CCCOC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)cc1OC,0.0
O=C(C(=O)N1CCCC[C@H]1C(=O)OC(CCCc1ccccc1)CCCc1ccccc1)c1ccccc1,0.0
CC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)CCCCCc1ccccc1,0.0
CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)SCCc1ccccc1,0.0
CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)CCCCc1cccnc1,0.0
CCC(C)(C)C(=O)C(=O)N1CCC[C@@H]1C(=O)OCCCc1ccccn1,0.0
O=C(OCCCCc1ccccc1)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1,0.0
COc1cc(C(=O)C(=O)N2CCCC[C@@H]2C(=O)OCCCc2c[nH]c3ccccc23)cc(OC)c1OC,0.0
CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)SCCCc1ccccc1,0.0
COc1ccc(CCCOC(=O)[C@@H]2CCCN2C(=S)NC2CCCCC2)cc1OC,0.0
CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)CCCCc1ccccc1,0.0
CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)CCCCCc1cccnc1,0.0
O=C(c1cn(Cc2c[nH]cn2)cc1-c1cccc2ccccc12)N1CCCCC1,0.0
N#Cc1ccc(Cn2ccnc2)cc1Oc1ccc2ccccc2c1,0.0
CC(C)C[C@H](NC(=O)c1ccc(C[NH2+]Cc2c[nH]cn2)cc1-c1cccc2ccccc12)C(=O)[O-],0.0
N#Cc1ccc(COCc2cncn2Cc2ccc(C#N)cc2-c2cccc(Cl)c2)c(-c2cccc(Cl)c2)c1,0.0
N#Cc1ccc(Cn2cnnc2CN(CCc2ccc(Br)cc2)C(=O)c2ccc3ccccc3c2)cc1,0.0
N#Cc1ccc(Cn2cncc2COCc2ccc(C#N)cc2-c2ccc3ccccc3c2)cc1,0.0
N#Cc1ccc(COCc2cncn2Cc2ccc(C#N)cc2-c2cccc3ccccc23)c(-c2ccc3c(c2)OCO3)c1,0.0
Cn1cncc1Cn1cc(C(=O)N2CCOCC2)c(-c2cccc3ccccc23)c1,0.0
Cc1ccc(CC(=O)Nc2ccc(NC(=O)CCCc3ccccc3)cc2C(=O)c2ccccc2)cc1,0.0
N#Cc1ccc(Cn2cncc2COCc2ccc(C#N)cc2-c2cccc3ccccc23)cc1,0.0
CCOC(=O)c1cn(Cc2c[nH]cn2)cc1-c1cccc2ccccc12,0.0
CC(C)C[C@H](NC(=O)c1ccc(NC[C@@H]([NH3+])CS)cc1-c1cccc2ccccc12)C(=O)[O-],0.0
O=C(c1cn(Cc2c[nH]cn2)cc1-c1cccc2ccccc12)N1CCOCC1,0.0
N#Cc1ccc(OCc2cncn2Cc2ccc(C#N)c(-c3cccc4ccccc34)c2)nc1,0.0
N#Cc1ccc(OCc2cncn2Cc2ccc(C#N)c(-c3cccc4ccccc34)c2)cc1,0.0
Cc1ccc(CC(=O)Nc2ccc(NC(=O)CCCCc3ccccc3)cc2C(=O)c2ccccc2)cc1,0.0
Cn1c(=O)cc(-c2cccc(Cl)c2)c2cc(C(=O)c3cncn3Cc3ccc(C#N)cc3)ccc21,0.0
Cc1ccccc1-c1cc([C@@H](OCc2cc(Cl)nc(Cl)c2)c2c[nH+]cn2C)ccc1C#N,0.0
N#CCCN(C(=O)Cc1c(-c2ccccc2)[nH]c2ccccc12)C1CC1,0.0
CCOc1cccc(-c2cc(C#N)ccc2C#C[C@@H](O)c2cncn2Cc2ccc(C#N)cc2)c1,0.0
O=C(c1ccc(Oc2ccccc2)cc1)c1cn(Cc2c[nH]cn2)cc1-c1cccc2ccccc12,0.0
N#Cc1ccc(Cn2ccnc2)cc1Oc1cccc(NC(=O)c2ccccc2)c1,0.0
O=C(Cc1c(-c2ccccc2)[nH]c2ccccc12)N(Cc1cccnc1)C1CCC1,0.0
N#Cc1ccc(Cn2cnnc2CN(CCc2ccc(Br)cc2)C(=O)c2ccc3c(c2)OCO3)cc1,0.0
CC(C)N(Cc1cnn(C)c1)C(=O)Cc1c(-c2ccccc2)[nH]c2ccccc12,0.0
Cn1cncc1[C@@H](OCc1ccc(C#N)c(NCc2cccc(F)c2)n1)c1ccc(C#N)c(-c2ccccc2C(F)(F)F)c1,0.0
[NH3+][C@@H](CS)CNc1ccc(-c2cccc(C(=O)[O-])c2)c(-c2ccccc2)c1,0.0
CC(C)C[C@H](NC(=O)c1ccc(NCc2c[nH]c[nH+]2)cc1-c1cccc2ccccc12)C(=O)[O-],0.0
N#Cc1ccc(Cn2ccnc2)cc1Oc1cccc(C(=O)Nc2ccccc2)c1,0.0
O=C(Cc1c(-c2ccccc2)[nH]c2ccccc12)N(Cc1cccnc1)C1CC1,0.0
O=C(N[C@H](Cc1cccc2ccccc12)C(=O)NCCc1c[nH]c[nH+]1)C1Cc2ccccc2C1,0.0
O=P([O-])([O-])[C@H](Nc1[nH+]ccc2ccccc12)[P@@](=O)([O-])O,0.0
O=P([O-])([O-])[C@](O)(CCc1cccnc1)[P@@](=O)([O-])O,0.0
O=P([O-])([O-])[C@](O)(CC[NH2+]CCCCc1ccccc1)[P@@](=O)([O-])O,0.0
O=P([O-])([O-])[C@H](Cn1cnc2c(Cl)ncnc21)[P@@](=O)([O-])O,0.0
C[N@H+](CCCc1ccccc1)CC[C@@](O)(P(=O)([O-])[O-])[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+](CCc1ccccc1)CC[C@@](O)(P(=O)([O-])[O-])[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](Cn1cnc2ccccc21)[P@@](=O)([O-])O,0.0
O=P([O-])([O-])[C@](O)(CC[NH2+]CCCOc1ccccc1)[P@@](=O)([O-])O,0.0
Cc1ccc[nH+]c1N[C@@H](P(=O)([O-])[O-])[P@@](=O)([O-])O,0.0
Cc1cccc(N[C@@H](P(=O)([O-])[O-])[P@@](=O)([O-])O)[nH+]1,0.0
Cc1ccc[nH+]c1NC[C@@H](P(=O)([O-])[O-])[P@@](=O)([O-])O,0.0
O=P([O-])([O-])[C@H](Cc1cccnc1)[P@@](=O)([O-])O,0.0
CCCCCCCCCCCCCCC[C@@](O)(P(=O)([O-])[O-])[P@@](=O)([O-])O,0.0
CCCCCCCCCCCCCCCCC[C@@](O)(P(=O)([O-])[O-])[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@H](Cc1ccccn1)[P@@](=O)([O-])O,0.0
O=P([O-])([O-])[C@H](CNc1cccc[nH+]1)[P@@](=O)([O-])O,0.0
O=P([O-])([O-])[C@@H](Nc1cccnc1)[P@@](=O)([O-])O,0.0
O=P([O-])([O-])[C@H](Nc1ccc(Br)cn1)[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@](O)(Cc1ccccc1)[P@@](=O)([O-])O,0.0
O=P([O-])([O-])[C@H](Nc1cccc[nH+]1)[P@@](=O)([O-])O,0.0
[NH3+]CCCCC[C@@](O)(P(=O)([O-])[O-])[P@@](=O)([O-])O,0.0
CCCCCCCC[C@@](O)(P(=O)([O-])[O-])[P@@](=O)([O-])O,0.0
CCCCCCCCCCC[C@@](O)(P(=O)([O-])[O-])[P@@](=O)([O-])O,0.0
C[n+]1cccc(C[C@](O)(P(=O)([O-])[O-])[P@@](=O)([O-])O)c1,0.0
CCCCCCCCC[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
CCCCCCCCCC[C@@](O)(P(=O)([O-])[O-])[P@@](=O)([O-])O,0.0
O=P([O-])([O-])[C@H]([NH2+]C1CCCCC1)[P@@](=O)([O-])O,0.0
CCCCCC[C@@](O)(P(=O)([O-])[O-])[P@@](=O)([O-])O,0.0
O=P([O-])([O-])[C@H]([NH2+]C1CCCCCCC1)[P@@](=O)([O-])O,0.0
O=P([O-])([O-])[C@](O)(Cc1ccncc1)[P@@](=O)([O-])O,0.0
CCCCCCC[C@@](O)(P(=O)([O-])[O-])[P@@](=O)([O-])O,0.0
O=P([O-])([O-])[C@@](Cl)(Cc1cccnc1)[P@@](=O)([O-])O,0.0
O=P([O-])([O-])[C@H]([NH2+]C1CCCC1)[P@@](=O)([O-])O,0.0
Cc1csc(N[C@@H](P(=O)([O-])[O-])[P@@](=O)([O-])O)n1,0.0
COc1cccc2c1-c1ccc3c(c1[C@@H](Cc1ccccc1)O2)C(C)=CC(C)(C)N3,0.0
COc1cccc2c1-c1ccc3c(c1[C@@H](CC=C1CCCC1)O2)C(C)=CC(C)(C)N3,0.0
O=C1CC[C@@]2(Cc3ccccc3)c3ccc(O)cc3CC[C@@H]2C1,0.0
COc1cccc2c1-c1ccc3c(c1[C@@H](CC1=CCCCC1)O2)C(C)=CC(C)(C)N3,0.0
COc1ccc(F)cc1C(C)(C)C[C@](O)(Cc1ccc2ccccc2c1)C(F)(F)F,0.0
CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ncccc1C)Oc1ccc(F)cc1-3,0.0
COc1ccc(F)cc1C(C)(C)C[C@@](O)(CNc1ccc2c(c1)COC2=O)Cc1ccccc1,0.0
CC(C)(C[C@](O)(CC1CCCCC1)C(=O)Nc1ccc2c(c1)COC2=O)c1ccccc1,0.0
O=C1C=C2CCc3cc(O)ccc3[C@]2(Cc2ccccc2)CC1,0.0
CCOc1ccc(C[C@H]2Oc3cccc(OC)c3-c3ccc([N-]S(C)(=O)=O)cc32)cc1,0.0
CC(C)(C[C@](O)(Cc1ccccc1)C(=O)Nc1ccc2c(c1)COC2=O)c1ccccc1,0.0
CC(C)(C[C@](O)(CCc1ccccc1)C(=O)Nc1ccc2c(c1)COC2=O)c1ccccc1,0.0
COc1ccc(F)cc1C(C)(C)C[C@](O)(Cn1cnc2ccccc21)C(F)(F)F,0.0
CC(C)(C[C@](O)(Cc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc2c(c1)COC2=O)c1ccccc1,0.0
CC(C)(C[C@](O)(Cc1ccccn1)C(=O)Nc1ccc2c(c1)COC2=O)c1ccccc1,0.0
COc1cccc2c1-c1ccc([N-]S(C)(=O)=O)cc1[C@@H](c1cccc(C)c1)O2,0.0
CCCCC[C@H]1Oc2cccc(OC)c2-c2ccc([N-]S(C)(=O)=O)cc21,0.0
COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1cccc(C)c1F)O2)C(C)=CC(C)(C)N3,0.0
COc1ccccc1-c1ccc2c(c1)C(CSC1CCCC1)=CC(C)(C)N2,0.0
CC(C)(C[C@](O)(C(=O)Nc1ccc2c(c1)COC2=O)C(F)(F)F)c1cc(F)ccc1O,0.0
COc1ccccc1-c1ccc2c(c1)C(CSC1CCCCC1)=CC(C)(C)N2,0.0
Cc1cc(-c2c[nH]c3ccccc23)c(Cl)c2c1NC(C)(C)C[C@@H]2C,0.0
CC(C)(C[C@@](O)(C(=O)Nc1ccc2c(c1)COC2=O)c1ccccc1)c1ccccc1,0.0
Cn1c(=O)[nH]c(N2CCC(C(=O)c3ccccc3)CC2)c(Cc2ccccc2)c1=O,0.0
CCCCC[C@H]1C[C@@]2(C)[C@H](CC[C@@H]2O)[C@H]2CCC3=CC(=O)CCC3=C12,0.0
CC[C@@H]1c2cc3c(cc2=[NH+]C[C@@H]1C)OC(O)=CC=3C(F)(F)F,0.0
Cc1cc(-c2cccc3[nH]ccc23)c(Cl)c2c1NC(C)(C)C[C@@H]2C,0.0
COc1ccccc1-c1ccc2c(c1)C([C@@H](C)OCCCc1ccccc1)=CC(C)(C)N2,0.0
Cc1cn(C[C@](O)(CC(C)(C)c2cccc3c2OCC3)C(F)(F)F)cc(C)c1=O,0.0
C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@@H]2[C@@H](O)c1coc2ccccc12,0.0
CC(C)(C[C@](O)(Cn1ccc(=O)c2ccccc21)C(F)(F)F)c1ccc(F)cc1O,0.0
C=CC[C@H]1Oc2ccc(O)c(Cl)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,0.0
COc1cccc2c1-c1ccc([N-]S(C)(=O)=O)cc1[C@@H](C1CCCCC1)O2,0.0
C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@@H](O)c1ccc(Oc2ccccc2)cc1,0.0
Cn1c(=O)[nH]c(N2CCC(CCc3ccccc3)CC2)c(Cc2ccccc2)c1=O,0.0
OCCNc1nc(Nc2cc(Cl)ccc2O)nc(N2CCCC2)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
O=S(=O)(NC[C@H]1[NH2+][C@H](CO)[C@H](O)[C@@H]1O)c1cccc2ccccc12,0.0
O=C(NC[C@H]1[NH2+][C@H](CO)[C@H](O)[C@@H]1O)c1cccc2ccccc12,0.0
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
CCC[C@H]1CC[C@H](C(=O)Nc2ccc3[nH+]c(N4CCOCC4)cc(C)c3c2)CC1,0.0
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cc(C)on3)cc2)cc1,0.0
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(N2CCCCC2)[nH+]c2ccc(NC(=O)[C@H]3CC[C@H](C)CC3)cc12,0.0
Cc1cc(N2CCOCC2)[nH+]c2ccc(NC(=O)C3CCCCC3)cc12,0.0
COc1ccc(Cl)cc1Nc1nc(NCCO)nc(N2CCCC2)n1,0.0
CCOc1ccccc1Nc1nc(NCCO)nc(N2CCCC2)n1,0.0
OCCNc1nc(Nc2cc(-c3ccccc3)ccc2O)nc(N2CCCC2)n1,0.0
Cc1cc(N2CCC(C)CC2)[nH+]c2ccc(NC(=O)[C@H]3CC[C@H](C)CC3)cc12,0.0
Cc1cc(N2CCOCC2)[nH+]c2ccc(NC(=O)[C@H]3CC[C@H](C)CC3)cc12,0.0
O=C(CCc1ccccc1)NC[C@@H]1[NH2+][C@H](CO)[C@H](O)[C@@H]1O,0.0
CCOc1ccc(Cl)cc1Nc1nc(NCCO)nc(N2CCCC2)n1,0.0
CCCCCCCCCCCC(=O)NC[C@H]1[NH2+][C@H](CO)[C@H](O)[C@@H]1O,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)NCCO)cccc12,0.0
Cc1cc(N2CCOCC2)[nH+]c2ccc(NC(=O)C3CC3)cc12,0.0
CCCCCCCCCCn1cc(C[NH2+][C@@H]2[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]2O)nn1,0.0
CCCCCCCCCCCCn1cc(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@@H](C)[C@H](O)[C@@H](O)[C@H]1O,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
CCCCCCCCCC[NH2+][C@@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O,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
CCCCCCCCC[N@@H+]1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO,0.0
CCCCCC[NH2+][C@@H]1C=C(CO)[C@@H](O)[C@@H](O)[C@@H]1O,0.0
CCCCCCCCCC[NH2+][C@@H]1C=C(CO)[C@@H](O)[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
CCCCCCCCC[C@H]1[NH2+]C[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
O=c1c2cc(F)ccc2nc(/C=C/c2ccccc2F)n1-c1ccccc1Cl,0.0
O=c1c2cc(F)ccc2nc(CCc2ccccc2F)n1-c1ccccc1Cl,0.0
O=C([O-])c1ccccc1NCc1cc([N+](=O)[O-])cc2[nH]c(=O)c(=O)[nH]c12,0.0
O=c1c2cc(F)ccc2nc(NCc2ccccc2F)n1-c1ccccc1Cl,0.0
O=c1[nH]c2c(n3ccnc13)C1(CC[NH2+]CC1)c1ccccc1-2,0.0
O=c1[nH]c2cc(C[NH+]3CCCCCC3)c([N+](=O)[O-])cc2[nH]c1=O,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(Cc1nc2ccccc2c(=O)n1-c1ccccc1Cl)c1ccncc1,0.0
O=c1[nH]c2cc(CN3CC=CCC3)c([N+](=O)[O-])cc2[nH]c1=O,0.0
N#Cc1cccc(NCc2nc3ccc(F)cc3c(=O)n2-c2ccccc2Cl)c1,0.0
O=c1[nH]c2cc([N+](=O)[O-])cc(CNc3cccc[nH+]3)c2[nH]c1=O,0.0
O=c1[nH]c2c(n3ccnc13)[C@]1(CC[NH2+]C1)c1ccccc1-2,0.0
O=C([O-])Cn1c(=O)c(=O)[nH]c2cc(C(F)(F)F)c(-n3ccc(CNC(=O)NCc4ccccc4)c3)cc21,0.0
O=c1[nH]c2cc([N+](=O)[O-])cc(CNc3cccnc3)c2[nH]c1=O,0.0
NC(=O)[C@@H]1CCCC[C@@H]1NCc1cc([N+](=O)[O-])cc2[nH]c(=O)c(=O)[nH]c12,0.0
O=c1[nH]c2cc(CN3CCOCC3)c([N+](=O)[O-])cc2[nH]c1=O,0.0
O=C(NCc1ccn(-c2cc3[nH]c(=O)c(=O)[nH]c3cc2[N+](=O)[O-])c1)Nc1ccncc1,0.0
O=c1[nH]c2cc(-c3cccnc3)c([N+](=O)[O-])cc2[nH]c1=O,0.0
O=c1[nH]c2cc([N+](=O)[O-])cc(CNc3ncccn3)c2[nH]c1=O,0.0
O=c1[nH]c2cc(-n3ccnc3)c(-n3ccnc3)cc2nc1[O-],0.0
O=C([O-])c1ccn(-c2cc3[nH]c(=O)c(=O)[nH]c3cc2[N+](=O)[O-])c1,0.0
CN1CCc2c(c([N+](=O)[O-])cc3[nH]c(=O)c(=O)[nH]c23)C1,0.0
O=c1[nH]c2cc(C[N+]3=CCCC3)c([N+](=O)[O-])cc2[nH]c1=O,0.0
O=c1[nH]c2cc(C[NH+]3CCCC3)c([N+](=O)[O-])cc2[nH]c1=O,0.0
O=C([O-])c1cn2c3c(nc([O-])c2n1)-c1ccccc1C3=O,0.0
C[N@H+](Cc1ccccc1)Cc1ccn(-c2cc3[nH]c(=O)c(=O)[nH]c3cc2[N+](=O)[O-])c1,0.0
CN1CCc2c([N+](=O)[O-])cc3[nH]c(=O)c(=O)[nH]c3c2C1,0.0
O=c1[nH]c2cc(-n3cnc(-c4ccccc4)c3)c([N+](=O)[O-])cc2nc1[O-],0.0
O=C([O-])Cc1cccc2c1Cc1c-2[nH]c(=O)c2nc(C(=O)[O-])cn12,0.0
O=C([O-])Cc1csc(NCc2cc([N+](=O)[O-])cc3[nH]c(=O)c(=O)[nH]c23)n1,0.0
O=c1[nH]c2cc([N+](=O)[O-])c(-n3ccnc3)nc2nc1[O-],0.0
O=C(NCCc1ccccc1)Nc1ccc2c(c1)Cc1c-2[nH]c(=O)c2nccn12,0.0
O=C(Cc1cccc2ccccc12)N1CCC(C[NH2+]CCCC[NH2+]CC2CCCCC2)CC1,0.0
O=c1c2cc(F)ccc2nc(CNc2cccc(C[NH+]3CCCC3)c2)n1-c1ccccc1Cl,0.0
CC[C@H](C)CN1CCc2c([N+](=O)[O-])cc3[nH]c(=O)c(=O)[nH]c3c2C1,0.0
CC[C@H](C)N1CCc2c([N+](=O)[O-])cc3[nH]c(=O)c(=O)[nH]c3c2C1,0.0
CC(C)N1CCc2c([N+](=O)[O-])cc3[nH]c(=O)c(=O)[nH]c3c2C1,0.0
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
CC[C@H](C)N1CCc2c(Br)cc3[nH]c(=O)c(=O)[nH]c3c2C1,0.0
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
NS(=O)(=O)c1cccc2c1c([N+](=O)[O-])cc1[nH]c(=O)c(=O)[nH]c12,0.0
CCN1CCc2c(c([N+](=O)[O-])cc3[nH]c(=O)c(=O)[nH]c23)C1,0.0
CN1CCc2c(c([N+](=O)[O-])cc3[nH]c(=O)c(=O)[nH]c23)C1,0.0
CCN1CCc2c([N+](=O)[O-])cc3[nH]c(=O)c(=O)[nH]c3c2C1,0.0
O=C([O-])c1cn2c3c([nH]c(=O)c2n1)-c1ccccc1C3,0.0
CN1CCc2c([N+](=O)[O-])cc3[nH]c(=O)c(=O)[nH]c3c2C1,0.0
[NH3+][C@@H](C[C@@H](C/C=C/c1cccc2ccccc12)C(=O)[O-])C(=O)[O-],0.0
Cc1cn(C[C@H]([NH3+])C(=O)[O-])c(=O)n(Cc2ccccc2C(=O)[O-])c1=O,0.0
[NH3+][C@@H](Cn1cc(F)c(=O)n(Cc2ccccc2C(=O)[O-])c1=O)C(=O)[O-],0.0
Nc1ccc2c(c1)Cc1c-2[nH]c(=O)c2nc(C(=O)[O-])cn12,0.0
[NH3+][C@@H](Cn1cc(Br)c(=O)n(Cc2ccccc2C(=O)[O-])c1=O)C(=O)[O-],0.0
[NH3+][C@@H](C[C@@H](C/C=C/c1ccc2ccccc2c1)C(=O)[O-])C(=O)[O-],0.0
O=c1[nH]c2cc(-n3ccnc3)c([N+](=O)[O-])cc2nc1[O-],0.0
O=c1[nH]c2cc([N+](=O)[O-])c([N+](=O)[O-])cc2cc1-c1nnn[n-]1,0.0
[NH3+][C@@H](Cn1ccc(=O)n(Cc2ccccc2C(=O)[O-])c1=O)C(=O)[O-],0.0
O=c1[nH]c2cc([N+](=O)[O-])c([N+](=O)[O-])cc2cc1P(=O)([O-])[O-],0.0
O=C([O-])[C@@H]1C[C@H]2C[C@@H](CCc3nnn[n-]3)CC[C@H]2C[NH2+]1,0.0
O=c1[nH]c2cc([N+](=O)[O-])c([N+](=O)[O-])cc2nc1[O-],0.0
Cc1cn(C[C@H]([NH3+])C(=O)[O-])c(=O)n(Cc2ccoc2C(=O)[O-])c1=O,0.0
O=c1[nH]c2cc([N+](=O)[O-])c([N+](=O)[O-])cc2cc1[N-]S(=O)(=O)C(F)(F)F,0.0
[NH3+][C@@H](Cn1cc(C(F)(F)F)c(=O)n(Cc2ccsc2C(=O)[O-])c1=O)C(=O)[O-],0.0
C[N@@H+]1CCC[C@]12c1ccccc1-c1[nH]c(=O)c3nccn3c12,0.0
Cc1cn(C[C@H]([NH3+])C(=O)[O-])c(=O)n(Cc2ccsc2C(=O)[O-])c1=O,0.0
COc1cccc(/C=C/C[C@H](C[C@H]([NH3+])C(=O)[O-])C(=O)[O-])c1,0.0
C[C@@H]1CCC=C(C[C@H](N)C(=O)[O-])c2c1o[nH]c2=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
COc1ccccc1/C=C/C[C@H](C[C@H]([NH3+])C(=O)[O-])C(=O)[O-],0.0
[NH3+][C@@H](Cn1cc(Br)c(=O)n(Cc2ccsc2C(=O)[O-])c1=O)C(=O)[O-],0.0
[NH3+][C@@H](C[C@@H](C/C=C/c1ccc(Cl)c(Cl)c1)C(=O)[O-])C(=O)[O-],0.0
[NH3+][C@H](Cn1c(=O)c(=O)[nH]c2ccccc21)C(=O)[O-],0.0
CC(C)n1nnc(-c2o[nH]c(=O)c2C[C@@H](N)C(=O)[O-])n1,0.0
O=C(/C=C/c1ccc(C[N@@H+](CCc2c[nH]c3ccccc23)Cc2ccccc2)cc1)NO,0.0
O=C(/C=C/c1ccc(C[N@@H+](CCc2c[nH]c3ccccc23)C2CCCCC2)cc1)NO,0.0
O=C(NO)c1ccc(CNC(=O)c2cccc3ccccc23)cc1,0.0
O=C(/C=C/c1ccc2c(c1)nc(CCc1ccccc1)n2CC[NH+]1CCCC1)NO,0.0
O=C(/C=C/c1ccc(C[N@@H+](CCc2c[nH]c3ccccc23)C2CCOCC2)cc1)NO,0.0
O=C(/C=C/c1ccc(CNCCc2coc3ccccc23)cc1)NO,0.0
Nc1ccccc1NC(=O)c1ccc(CNc2nccc(-c3cccnc3)n2)cc1,0.0
O=C(/C=C/c1ccc(C[N@@H+](CCCc2ccccc2)Cc2ccccn2)cc1)NO,0.0
O=C(/C=C/c1ccc(C[N@@H+](CCCc2ccccc2)Cc2cccnc2)cc1)NO,0.0
O=C(/C=C/c1ccc(C[NH2+]CCc2ccc3c(c2)OCO3)cc1)NO,0.0
O=C(/C=C/c1ccc(C[NH2+]Cc2cc3ccccc3[nH]2)cc1)NO,0.0
O=C(CCc1ccccc1)Nc1ccc(C(=O)NO)cc1,0.0
O=C(CCCCc1ccccc1)Nc1ccc(C(=O)NO)cc1,0.0
O=C(/C=C/c1ccc(NCCCc2c[nH]c3ccccc23)cc1)NO,0.0
O=C(/C=C/c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)NO,0.0
O=C(CCCc1ccccc1)NCc1ccc(C(=O)NO)cc1,0.0
O=C(CCCCCCNC(=O)c1cn(-c2ccccc2)c2ccccc12)NO,0.0
O=C(CCCCCCNC(=O)c1cn(Cc2ccccc2)c2ccccc12)NO,0.0
Cn1cc(C(=O)Cc2ccccc2)cc1/C=C/C(=O)NO,0.0
O=C(/C=C/c1cccc(S(=O)(=O)Nc2ccccc2)c1)NO,0.0
O=C(CCC1=CCCN(CCCCc2ccccc2)C1=O)NO,0.0
O=C(/C=C/c1ccc(C[NH2+]CCn2c3ccccc3c3ccccc32)cc1)NO,0.0
O=C(/C=C/c1ccc(C[NH2+]CCCc2ccccc2)cc1)NO,0.0
Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1,0.0
O=C(CCCCc1cc(C(=O)NO)no1)Nc1cnc2ccccc2c1,0.0
O=C(/C=C/c1ccc(C[NH2+]CCc2c[nH]c3ccc(OCc4ccccc4)cc23)cc1)NO,0.0
Nc1ccc(-c2ccncc2)cc1NC(=O)c1ccccc1,0.0
O=C(/C=C/c1ccc(C[NH2+]CCOc2ccccc2)cc1)NO,0.0
O=C(CCCCCCc1nc(-c2ccc3ccccc3c2)cs1)NO,0.0
CC(C)(CCc1ccccc1)C(=O)Nc1ccc(C(=O)NO)cc1,0.0
O=C(C=C1c2ccccc2-c2ccccc21)NCCCCCC(=O)NO,0.0
O=C(/C=C/c1ccc(C[NH2+]CCCn2c3ccccc3c3ccccc32)cc1)NO,0.0
O=C(CCCCCCC(=O)Nc1cccc(-c2cn(C3CCCCC3)nn2)c1)NO,0.0
COc1ccccc1NCC[NH2+]Cc1ccc(/C=C/C(=O)NO)cc1,0.0
O=C(NO)c1ccc(-c2cccc3ccccc23)cc1,0.0
O=C(/C=C/c1ccc(C[N@@H+](CCc2c[nH]c3ccccc23)Cc2ccccc2)cc1)NO,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(-c2nc3ccccc3n2CCCc2ccccc2)c1)NO,0.0
O=C(NO)c1ccc(CNC(=O)c2cccc3ccccc23)cc1,0.0
O=C(/C=C/c1ccc2c(c1)nc(CCc1ccccc1)n2CC[NH+]1CCCC1)NO,0.0
Cc1[nH+]c(Cc2ccccc2)n(CCc2ccccc2)c1-c1cccc(/C=C/C(=O)NO)c1,0.0
O=C(/C=C/c1cccc(-c2nc3ccccc3n2-c2ccccc2)c1)NO,0.0
O=C(/C=C/c1ccc(C[N@@H+](CCc2c[nH]c3ccccc23)C2CCOCC2)cc1)NO,0.0
O=C(/C=C/c1cccc(-c2nc3ccccc3n2CC2CC[NH2+]CC2)c1)NO,0.0
O=C(/C=C/c1cccc(C(=O)c2cc3ccccc3[nH]2)c1)NO,0.0
O=C(/C=C/c1cccc(-c2nc3ccccc3n2CCN2CCOCC2)c1)NO,0.0
O=C(/C=C/c1cccc(C(=O)c2cc3ccccc3o2)c1)NO,0.0
Cc1c(Cc2ccccc2)[nH+]c(-c2cccc(/C=C/C(=O)NO)c2)n1CCc1ccccc1,0.0
Cc1c(-c2ccccc2)[nH+]c(-c2cccc(/C=C/C(=O)NO)c2)n1CCc1ccccc1,0.0
O=C(/C=C/c1ccc(CNCCc2coc3ccccc23)cc1)NO,0.0
O=C(/C=C/c1ccc(C[N@@H+](CCCc2ccccc2)Cc2ccccn2)cc1)NO,0.0
O=C(/C=C/c1cccc(-c2nc3ccccc3n2C2CCCCC2)c1)NO,0.0
O=C(/C=C/c1ccc(C[N@@H+](CCCc2ccccc2)Cc2cccnc2)cc1)NO,0.0
O=C(/C=C/c1ccc(C[NH2+]CCc2ccc3c(c2)OCO3)cc1)NO,0.0
O=C(/C=C/c1ccc(C[NH2+]Cc2cc3ccccc3[nH]2)cc1)NO,0.0
O=C(/C=C/c1cccc(-c2nc3ccccc3n2CC[NH+]2CCCCC2)c1)NO,0.0
O=C(CCCCCCN1c2cccc3cccc(c23)S1(=O)=O)NO,0.0
CC(C)n1c(-c2cccc(/C=C/C(=O)NO)c2)nc2ccccc21,0.0
O=C(CCc1ccccc1)Nc1ccc(C(=O)NO)cc1,0.0
O=C(CCCCCCC(=O)Nc1cccc(-c2cnnn2C[C@@H](O)c2cccc(Br)c2)c1)NO,0.0
O=C(CCCCc1ccccc1)Nc1ccc(C(=O)NO)cc1,0.0
O=C(/C=C/c1ccc(NCCCc2c[nH]c3ccccc23)cc1)NO,0.0
O=C(/C=C/c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)NO,0.0
O=C(/C=C/c1ccc2c(c1)C(=O)N([C@H](COC(=O)c1ccccc1)c1ccccc1)C2=O)NO,0.0
O=C(CCCc1ccccc1)NCc1ccc(C(=O)NO)cc1,0.0
Cn1cc(C(=O)Cc2ccccc2)cc1/C=C/C(=O)NO,0.0
O=C(/C=C/c1ccc(C[N@@H+](CCOC(=O)NCc2ccoc2)CCc2c[nH]c3ccccc23)cc1)NO,0.0
Cc1nc(-c2cccc(/C=C/C(=O)NO)c2)n(CCc2ccccc2)c1Cc1ccccc1,0.0
O=C(CCC1=CCCN(CCCCc2ccccc2)C1=O)NO,0.0
CC[N@@H+]1CCC[C@@H](n2c(-c3cccc(/C=C/C(=O)NO)c3)nc(-c3ccccc3)c2C)C1,0.0
O=C(CCCCCSc1nc(-c2ccccc2)cc(=O)[nH]1)NO,0.0
O=C(/C=C/c1ccc(C[NH2+]CCn2c3ccccc3c3ccccc32)cc1)NO,0.0
Cn1c(/C=C/C(=O)NO)ccc1C(=O)Cc1ccccc1,0.0
O=C(/C=C/c1ccc(C[NH2+]CCCc2ccccc2)cc1)NO,0.0
O=C(/C=C/c1cccc(-c2nc3ccccc3n2CC[NH+]2CCCC2)c1)NO,0.0
Cc1[nH+]c(-c2cccc(/C=C/C(=O)NO)c2)n(CCc2ccccc2)c1C,0.0
O=C(NO)c1ccc(CN2c3ccccc3NC(=O)[C@@H]2Cc2ccccc2)cc1,0.0
O=C(/C=C/c1ccc(CN(CCO)CCc2cnc3ccccc3c2)cc1)NO,0.0
O=C1CN(Cc2ccc(C(=O)NO)cc2)c2ccccc2N1,0.0
O=C(NC[C@H]1CC[C@H](C(=O)NO)CC1)c1ccc(-c2ccccc2)cc1,0.0
O=C(/C=C/c1ccc(C[NH2+]CCc2c[nH]c3ccc(OCc4ccccc4)cc23)cc1)NO,0.0
O=C(c1cccc(Cc2ccccc2)c1)c1ccc2cccnc2c1O,0.0
O=C(c1cc(Cc2ccccc2)ccn1)c1ccc2cccnc2c1O,0.0
O=C(c1cccc(Cc2ccccc2)c1)c1ncc2cccnc2c1O,0.0
O=c1c2cc(Cc3ccccc3)ccc2oc2ccc(O)c(O)c12,0.0
O=C(/C=C/c1ccc(O)c(O)c1)c1cccc(C(=O)/C=C/c2ccc(O)c(O)c2)c1,0.0
O=C([O-])C(=O)CC(=O)c1ccc2c(c1)c(=O)c(C(=O)/C=C(\[O-])C(=O)[O-])cn2Cc1ccc(F)cc1,0.0
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([O-])C(=O)CC(=O)c1cn(Cc2ccccc2F)c(=O)n(Cc2ccccc2F)c1=O,0.0
O=C(/C=C/c1ccc(O)c(O)c1)CC(=O)/C=C/c1ccc(O)c(O)c1,0.0
O=C(NCc1ccc(F)cc1)c1nc(Cc2ccccc2)[nH]c(=O)c1O,0.0
O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,0.0
O=C([O-])C(=O)CC(=O)c1cn(Cc2ccccc2)c(=O)n(Cc2ccccc2)c1=O,0.0
O=C([O-])C(=O)CC(=O)c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1,0.0
O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)[O-],0.0
COc1ccc2c(c1)c(C(=O)CC(=O)C(=O)[O-])cn2Cc1ccc(F)cc1,0.0
Cn1c([C@@H]2CCCC[N@@H+]2C)nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O,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(C)[C@H](c1ccccc1)c1nc(=O)c(O)c(C(=O)NCc2ccc(F)cc2)[nH]1,0.0
O=C(NCc1ccccn1)c1c2c(c([O-])c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2,0.0
O=C([O-])C(=O)CC(=O)c1cn(Cc2ccc(F)cc2)c2ccccc12,0.0
CCN1CCN(c2nc(C(=O)NCc3ccc(F)cc3)c(O)c3ncccc23)C(=O)C1=O,0.0
O=C([O-])c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1,0.0
O=C([O-])C(=O)CC(=O)c1cccc(OCc2cccc(COc3cccc(C(=O)/C=C(\[O-])C(=O)[O-])c3)c2)c1,0.0
CN1CCOC[C@H]1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C,0.0
O=C([O-])C(=O)CC(=O)c1cccc(OCc2ccccc2COc2cccc(C(=O)/C=C(\[O-])C(=O)[O-])c2)c1,0.0
O=C(NCc1ccccc1)c1nc(-c2cccs2)nc([O-])c1O,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]1C[C@](O)(C(=O)[O-])C[C@H](OC(=O)/C=C\c2ccc(O)c(O)c2)[C@H]1O,0.0
Cc1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)[nH]1,0.0
O=C(O[C@@H](C(=O)[O-])[C@@H](OC(=O)c1ccc(O)c(O)c1)C(=O)[O-])c1ccc(O)c(O)c1,0.0
CN(C)C(C)(C)c1nc(=O)c(O)c(C(=O)NCc2ccc(F)cc2)[nH]1,0.0
[N-]=[N+]=[NH+][C@H]1CC[C@H]([NH+]=[N+]=[N-])c2cc(C(=O)CC(=O)C(=O)[O-])ccc21,0.0
N/C(=N\O)c1cccc(CN2C(=O)N[C@H](CCc3ccccc3)[C@@H](O)[C@H]2Cc2ccccc2)c1,0.0
O=C1N(Cc2ccccc2)C[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccccc1,0.0
O=c1oc(-c2ccccc2)cc([O-])c1[C@@H](CC1CC1)SCc1ccccc1,0.0
O=C(N[C@@H](CCCCNc1cccc2ccccc12)C(=O)[O-])OCC1c2ccccc2-c2ccccc21,0.0
Cc1ccc(S(=O)(=O)/N=C(\N)NCCC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])cc1,0.0
O=C(NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-])OCc1ccccc1,0.0
Cc1ccc(S(=O)(=O)NCCC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])cc1,0.0
N/C(=N\O)c1cccc(CN2C(=O)N(CC3CC3)[C@H](CCc3ccccc3)[C@@H](O)[C@H]2Cc2ccccc2)c1,0.0
O=C(N[C@H](Cc1ccccc1)C(=O)C(F)(F)C(=O)NCc1ccccc1)OCc1ccccc1,0.0
O=C1C[C@@](COc2ccccc2)(c2ccccc2)OC([O-])=C1SCc1ccccc1,0.0
CC[C@H](c1ccccc1)c1c(O)c2c(oc1=O)CCCCCC2,0.0
CC(C)[C@H](C)C(=O)NC(=O)[C@H](O)[C@H](O)[C@@H](O)[C@@H](Oc1ccc(CCc2ccccc2)cc1)C(=O)NC(=O)[C@@H](C)C(C)C,0.0
O=C1O[C@@](CCc2ccccc2)(c2ccccc2)CC([O-])=C1SCc1ccccc1,0.0
NC(=O)c1[nH]c2ccc(Cl)cc2c1Sc1ccccc1,0.0
Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1C,0.0
Nc1ncnc2c1ncn2[C@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O,0.0
O=S(=O)(c1ccccc1)c1c(-c2ncc[nH]2)[nH]c2ccc(Cl)cc12,0.0
O=c1oc2c(c(O)c1[C@@H](c1ccccc1)C1CC1)CCCCCC2,0.0
CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)C(F)(F)C(=O)CCc1ccccc1,0.0
Nc1cccc(CN2C(=O)N[C@H](Cc3ccccc3)[C@H](O)[C@H]2CCc2ccccc2)c1,0.0
CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-],0.0
O=C1N[C@H](Cc2ccccc2)[C@H](O)[C@@H](CCc2ccccc2)N1Cc1ccc2[nH]ncc2c1,0.0
Nc1nc(-c2[nH]c3ccc(Cl)cc3c2S(=O)(=O)c2ccccc2)cs1,0.0
O=C(N[C@@H]1c2ccccc2C[C@@H]1O)[C@H](O)[C@H](O)[C@@H](O)[C@@H](Oc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O,0.0
O=C(N[C@@H](Cc1ccccc1)[C@H](O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)OCc1ccccc1,0.0
Cc1ccc(S(=O)(=O)N(CC2CC2)[C@@H](CCCCNC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])cc1,0.0
O=S(=O)(c1ccccc1)c1c(C2=[NH+]CCN2)[nH]c2ccc(Cl)cc12,0.0
O=S(=O)(c1ccccc1)c1c(C2=NCCS2)[nH]c2ccc(Cl)cc12,0.0
O=c1oc2c(c(O)c1[C@@H](c1cccc(S(=O)(=O)Nc3ccccc3)c1)C1CC1)CCCCCC2,0.0
CC(C)[C@H](C)C(=O)NC(=O)[C@H](O)[C@H](O)[C@@H](O)[C@@H](Oc1ccc(-c2nccs2)cc1)C(=O)NC(=O)[C@@H](C)C(C)C,0.0
O=c1oc2c(c(O)c1[C@@H](c1cccc(NS(=O)(=O)c3ccc4ccccc4c3)c1)C1CC1)CCCCCC2,0.0
NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1ccccc1,0.0
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
O=c1[nH]c2ccccc2cc1[C@@](C#CC1CC1)(OCc1ccccc1)C(F)(F)F,0.0
O=C1Nc2ccc(Cl)c3c2[C@@](C(F)(F)F)(C=C(c2ccccc2)O3)N1,0.0
Nc1cc(Cl)nc(SCc2ccc3ccccc3c2)n1,0.0
Cc1c(Cc2c(F)cccc2F)nc(NC2CCCC2)[nH]c1=O,0.0
O=c1[nH]cccc1[C@@](/C=C/c1ccccc1)(OCc1ccccc1)C(F)(F)F,0.0
Cc1cnc(-c2[nH]c3ccc(Cl)cc3c2S(=O)(=O)c2ccccc2)[nH]1,0.0
O=C(OCCc1ccc(O)c(O)c1)c1cc(O)c(O)c(O)c1,0.0
O=C1Nc2ccc(Cl)c3c2[C@@](C(F)(F)F)(C=C(C2CC2)O3)N1,0.0
O=c1[nH]cccc1[C@@](C#Cc1ccccc1)(OCc1ccccc1)C(F)(F)F,0.0
O=c1[nH]cccc1[C@@](/C=C/C1CC1)(OCc1ccccc1)C(F)(F)F,0.0
O=C1Nc2ccc(Cl)cc2[C@@](/C=C/C2CC2)(C(F)(F)F)N1,0.0
O=c1[nH]cccc1[C@@](C#CC1CC1)(OCc1ccccc1)C(F)(F)F,0.0
CCN1c2ncc(CCOc3ccc4cc(C(=O)[O-])ccc4c3)cc2C(=O)N(C)c2cccnc21,0.0
COc1ccc(C(=O)CSc2nc([O-])c(C(C)C)c(Cc3cccc4ccccc34)n2)cc1,0.0
Cc1c(Cc2c(F)cccc2F)nc(SC2CCCCC2)[nH]c1=O,0.0
Nc1cc(Cl)nc(SCC2=CCCc3ccccc32)n1,0.0
O=C(CC(=O)c1ccc(Cc2ccc(F)cc2)o1)c1nc[n-]n1,0.0
CCc1cc(CCc2cc3ccccc3o2)c(=O)[nH]c1C,0.0
CCc1cc(NCc2cc3ccccc3nc2OC)c(=O)[nH]c1C,0.0
CCc1c([O-])nc(SCC(=O)c2ccc(OC)cc2)nc1Cc1cccc2ccccc12,0.0
CCc1cc(NCc2ccc3ccccc3n2)c(=O)[nH]c1C,0.0
Nc1nc(-c2[nH]c3ccc(Cl)cc3c2S(=O)(=O)c2ccccc2)cs1,0.0
CCN1c2ncccc2C(=O)Nc2c(Cc3ccccc3)cc(=O)[nH]c21,0.0
CCc1nc(-c2ccccc2)cc(-c2ccc(F)cc2)c1CC[C@@H]1C[C@@H](O)CC(=O)O1,0.0
O=C1C[C@H](O)C[C@@H](C[C@@H]2c3ccc(F)cc3-c3cc(Cl)cc(Cl)c32)O1,0.0
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](CCc1ccccc1)CCC2,0.0
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)c1nc(Nc2ccon2)nc(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-],0.0
O=C1C[C@H](O)C[C@@H](CCc2c(Cl)cc(Cl)cc2OCc2ccc(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
O=C1C[C@H](O)C[C@@H](CCc2c(Cl)cc(Cl)cc2Cc2ccccc2)O1,0.0
O=C([O-])C[C@H](O)C[C@H](O)/C=C/c1c2c(nn1-c1ccc(F)cc1)[C@H](Cc1ccc3ccccc3c1)CCC2,0.0
O=C1C[C@H](O)C[C@@H](CCc2c(Cl)cc(Cl)cc2Oc2ccccc2)O1,0.0
CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])nn(-c2ccc(F)cc2)c1C(=O)NCc1ccccc1,0.0
O=C1C[C@H](O)C[C@@H](/C=C/c2c(Cl)cc(Cl)cc2OCCc2ccccc2)O1,0.0
O=C1C[C@H](O)C[C@@H](/C=C/c2c(Cl)cc(Cl)cc2CCc2ccccc2)O1,0.0
CC(C)c1nn(Cc2ccccc2)c(-c2ccc(F)cc2)c1CC[C@H]1C[C@H](O)CC(=O)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
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](OCc2ccc(F)cc2)C1,0.0
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)c1c(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])c(-c2ccc(F)cc2)cn1C1CCCCC1,0.0
Cc1cc(C)c2c(c1)-c1ccccc1/C2=C\[C@@H]1C[C@@H](O)CC(=O)O1,0.0
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](CCc2c(Cl)cc(Cl)cc2OCC2CCCCC2)O1,0.0
CC(C)c1cc(-c2ccccc2)cc(CC2CCCCC2)c1OC[C@@H](O)C[C@@H](O)CC(=O)[O-],0.0
CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1/C=C/[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](Cc1ccc(-c3ccccc3)cc1)CCC2,0.0
CC(C)c1c(C(=O)NCCc2ccccc2)nn(-c2ccc(F)cc2)c1OC[C@@H](O)C[C@@H](O)CC(=O)[O-],0.0
CC(C)c1c(C(=O)NCc2ccccn2)nn(-c2ccc(F)cc2)c1OC[C@@H](O)C[C@@H](O)CC(=O)[O-],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)c2ccc(F)cc2)C1,0.0
O=C1C[C@H](O)C[C@@H](/C=C/c2c(Cl)cc(Cl)cc2OCc2ccco2)O1,0.0
CC(C)c1c(OC[C@@H](O)C[C@@H](O)CC(=O)[O-])c(-c2ccc(F)cc2)nc2ccccc12,0.0
CC(C)c1cc(-c2ccc(F)cc2)c(OC[C@@H]2C[C@@H](O)CC(=O)O2)c(C(C)C)c1,0.0
CC(C)c1nn(-c2ccc(F)cc2)c(-c2ccc(F)cc2)c1CC[C@H]1C[C@H](O)CC(=O)O1,0.0
Cc1cc(-c2ccc(F)cc2)c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])c(C(C)C)[n+]1[O-],0.0
O=C([O-])C[C@H](O)C[C@H](O)COc1c(Cl)cc(Cl)cc1C(F)=C1CCCCC1,0.0
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-])c(-c2ccc(F)cc2)cn1C(C)C,0.0
O=C1C[C@H](O)C[C@@H](/C=C/c2c(Cl)cc(Cl)cc2OCc2cccs2)O1,0.0
CC(C)c1cc(-c2ccc(F)cc2)c(OC[C@@H](O)C[C@@H](O)CC(=O)[O-])c(C(C)C)c1,0.0
CC(C)c1cc(-c2ccc(F)cc2)cc(-c2ccc(F)cc2)c1OC[C@@H](O)C[C@@H](O)CC(=O)[O-],0.0
CC(C)c1nc(C(C)(C)C)cc(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-],0.0
CC(C)c1c(C(=O)N2CCCCC2)nn(-c2ccc(F)cc2)c1OC[C@@H](O)C[C@@H](O)CC(=O)[O-],0.0
Cc1cc(Cl)cc(CCCOc2ccc(Cl)cc2)c1OC[C@@H](O)C[C@@H](O)CC(=O)[O-],0.0
Oc1ccc2c(-c3cc(Br)c(O)cc3O)noc2c1,0.0
Cc1ccc(-c2snnc2-c2cc(Cl)c(O)cc2O)cc1,0.0
CCc1cc(-c2n[nH]c(C)c2-c2ccc3c(c2)OCCO3)c(O)cc1O,0.0
CCOc1ccc(-c2snnc2-c2cc(Cl)c(O)cc2O)cc1,0.0
COc1ccc(-c2snnc2-c2cc(Cl)c(O)cc2O)cc1,0.0
Cc1[nH]nc(-c2cc(Cl)c(O)cc2O)c1-c1ccc2c(c1)OCCO2,0.0
CCc1cc(-c2n[nH]c(C(=O)[O-])c2-c2ccc3c(c2)OCO3)c(O)cc1O,0.0
CC(=O)c1ccc(NC(=O)c2c[nH]nc2-c2cc(Cl)c(O)cc2O)cc1,0.0
Oc1cc(O)c(-c2noc3ccc(NCCN4CCOCC4)cc23)cc1Cl,0.0
C#CCCCn1c(Sc2cccc(OC)c2)nc2c(N)ncnc21,0.0
COc1ccc(-c2c(-c3cc(Cl)c(O)cc3O)n[nH]c2C(=O)[O-])cc1,0.0
COc1ccc(-c2c(C)n[nH]c2-c2cc(Cl)c(O)cc2O)cc1,0.0
CCc1cc(-c2n[nH]cc2-c2c[nH]cn2)c(O)cc1O,0.0
C[NH+]1CCN(c2ccc3onc(-c4cc(Cl)c(O)cc4O)c3c2)CC1,0.0
C#CCCCn1c(Sc2cc(OC)ccc2OC)nc2c(N)ncnc21,0.0
CCCCn1c(Sc2nc3cccc(F)c3s2)nc2c(N)ncnc21,0.0
CC(C)(C)C[NH2+]CCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc21,0.0
CC(C)(C)[NH2+]CCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc21,0.0
COc1ccc(-c2c(-c3cc(Cl)c(O)cc3O)n[nH]c2C(N)=O)cc1,0.0
CC(C)[NH2+]CCCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc21,0.0
CC(=O)OCCCCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc21,0.0
CCOP(=O)(CCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc21)OCC,0.0
Nc1ncnc2c1nc(Sc1nc3cccc(Cl)c3s1)n2CCN1CCOCC1,0.0
CNC(=O)c1[nH]nc(-c2cc(Cl)c(O)cc2O)c1-c1ccc(OC)cc1,0.0
O=S(=O)([N-]c1ccc(O)c(-c2c(O)ccc3ccccc23)c1)c1cccs1,0.0
C#CCCCn1c(Sc2cc3c(cc2Br)OCO3)nc2c(N)ncnc21,0.0
C#CCCCn1c(Sc2cc(OC)ccc2Cl)nc2c(N)ncnc21,0.0
Nc1ncnc2c1nc(Sc1cc3c(cc1Br)OCO3)n2CCCc1cn(CCCO)nn1,0.0
COc1ccc(-c2c(-c3cc(Cl)c(O)cc3O)n[nH]c2C(=O)NC(C)C)cc1,0.0
Nc1ncnc2c1nc(Sc1nc3cccc(Cl)c3s1)n2CC[NH2+]C1CC1,0.0
CC(=O)OCCCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc21,0.0
CC(=O)OCCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc21,0.0
CC(=O)OCCCn1c(Sc2nc3cncc(Cl)c3s2)nc2c(N)ncnc21,0.0
Nc1ncnc2c1nc(Sc1nc3cccc(Cl)c3s1)n2CCCO,0.0
CCOP(=O)(CCn1c(Sc2nc3cncc(Cl)c3s2)nc2c(N)ncnc21)OCC,0.0
CCCCn1c(Sc2nc3cccc(C)c3s2)nc2c(N)ncnc21,0.0
COc1ccc(-c2snnc2-c2cc(Cl)c(O)cc2O)cc1OC,0.0
C#CCCCn1c(Sc2cc(OC)ccc2Br)nc2c(N)ncnc21,0.0
NS(=O)(=O)c1ccc(CNC(=O)c2c[nH]nc2-c2cc(Cl)c(O)cc2O)cc1,0.0
CCCCCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc21,0.0
Cc1csc(Nc2ncnc3ccc(Oc4ccc(F)cc4)cc23)n1,0.0
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)c2cccc(OCc3ccccc3Cl)c2)nc1,0.0
Cn1ccc(Nc2ncnc3ccc(Oc4ncccc4F)cc23)n1,0.0
Cc1csc(Nc2ncnc3ccc(Oc4ccccc4F)cc23)n1,0.0
CC(C)Oc1cc(OCc2ccccc2F)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
CC(C)Oc1cc(OCCc2ccccc2)cc(C(=O)Nc2ccc(C(=O)[O-])cn2)c1,0.0
CS(=O)(=O)c1ccc([C@H](CC2CCOCC2)C(=O)Nc2nc(-c3ccccc3)cs2)cc1,0.0
Cc1csc(NC(=O)c2cc(Sc3ccccc3)ccc2N)n1,0.0
CC(C)Oc1cc(O[C@@H](C)Cc2ccccc2)cc(C(=O)Nc2ccc(C(=O)[O-])cn2)c1,0.0
CC(C)Cc1csc(NC(=O)[C@H](CC2CCOCC2)c2ccc(S(C)(=O)=O)cc2)n1,0.0
CC(C)Oc1cc(OCC2CCCC2)cc(C(=O)Nc2ccc(C(=O)[O-])cn2)c1,0.0
Cn1ccc(Nc2ncnc3ccc(Oc4cnccn4)cc23)n1,0.0
Cc1csc(Nc2ncnc3ccc(Sc4nncn4C)cc23)n1,0.0
Cc1csc(NC(=O)c2cc(Sc3ccccn3)ccc2N)n1,0.0
CC(C)Oc1cc(OCCC2CCCC2)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
CC(C)Oc1cc(O[C@H](C)Cc2ccccc2)cc(C(=O)Nc2ccc(C(=O)[O-])cn2)c1,0.0
O=C(Nc1ncc(F)s1)[C@H](CC1CCOCC1)c1ccc(S(=O)(=O)C2CCC2)cc1,0.0
O=C([O-])c1ccc(NC(=O)c2cc(OCc3ccccc3F)cc(OCc3ccccc3F)c2)nc1,0.0
O=C(Nc1ncc(F)s1)[C@H](CC1CCOCC1)c1ccc(S(=O)(=O)C2CCCC2)cc1,0.0
CC(C)Oc1cc(OCCCc2ccccc2)cc(C(=O)Nc2ccc(C(=O)[O-])cn2)c1,0.0
CCn1ccc(Nc2ncnc3ccc(Oc4c(F)cccc4S(C)(=O)=O)cc23)n1,0.0
COC[C@H](C)Oc1cc(O[C@@H](C)Cc2ccccc2)cc(C(=O)Nc2ccc(C(=O)[O-])cn2)c1,0.0
Cc1ccc(N(CC2CCCC2)C(=O)Nc2ncc(Cl)s2)cc1Cl,0.0
Cn1cnnc1Sc1ccc2ncnc(Nc3nccs3)c2c1,0.0
Cc1cnc(Nc2ncnc3ccc(Oc4c(F)cccc4S(C)(=O)=O)cc23)cn1,0.0
CS(=O)(=O)c1cccc(F)c1Oc1ccc2ncnc(Nc3cnc(Cl)cn3)c2c1,0.0
Cn1ccc(Nc2ncnc3ccc(Oc4ncccc4Cl)cc23)n1,0.0
Cn1ccc(Nc2ncnc3ccc(Oc4ncccc4CO)cc23)n1,0.0
Cc1csc(NC(=O)c2cc(Sc3nncn3C)ccc2Sc2ccc(F)cc2)n1,0.0
CS(=O)(=O)c1cccc(F)c1Oc1ccc2ncnc(Nc3cccn[nH+]3)c2c1,0.0
CC(C)COc1cc(OC(C)C)cc(C(=O)Nc2ccc(C(=O)[O-])cn2)c1,0.0
Cn1cnnc1Sc1ccc(N)c(C(=O)Nc2ccccn2)c1,0.0
CS(=O)(=O)c1cccc(F)c1Oc1ccc2ncnc(Nc3ccccn3)c2c1,0.0
CS(=O)(=O)c1ccc(Oc2cc(OC3CCCC3)cc(C(=O)Nc3nccs3)c2)cc1,0.0
O=C(Nc1ncc(F)s1)[C@@H](CC1CCOCC1)c1ccc(S(=O)(=O)C2CC2)cc1,0.0
Cc1csc(NC(=O)c2cc(Sc3ncc[nH]3)ccc2N)n1,0.0
O=C(Nc1nccs1)c1nc(Sc2ncn[nH]2)ccc1Sc1cccc(F)c1,0.0
Cc1csc(NC(=O)c2cc(Oc3ccccc3)cc(Oc3ccc(S(C)(=O)=O)cc3)c2)n1,0.0
Cn1ccc(Nc2ncnc3ccc(Oc4c(F)cccc4F)cc23)n1,0.0
CN(C)C(=O)c1cccc(-c2cnc3[nH]cc(-c4cccc(NC(=O)Nc5ccccc5-c5ccccc5)c4)c3c2)c1,0.0
Nc1nccn2c1c(-c1ccc3ccc(-c4ccccc4)nc3c1)nc2[C@H]1C[C@H]([NH+]2CCCCC2)C1,0.0
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(Nc1cccc(-c2c[nH]c3ncc(-c4ccc[nH]4)cc23)c1)Nc1ccccc1Oc1ccccc1,0.0
CNC(=[NH2+])c1cc(C)c2nc(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)[nH]c2c1,0.0
O=C(Nc1ccc(F)nc1)C1=C(c2nc(Nc3cc(C4CC4)[nH]n3)c3cccn3n2)CCC1,0.0
O=C(NCc1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1)c1ccc(F)nc1,0.0
CN(C)C(=O)c1cccc(-c2cnc3[nH]cc(-c4cccc(NC(=O)Nc5ccccc5OCc5ccccc5)c4)c3c2)c1,0.0
Nc1ncnc2c1c(-c1ccc3nc(-c4ccccc4)[nH]c3c1)nn2[C@H]1CC[C@H](N2CCOCC2)CC1,0.0
Oc1ccc(CCCCc2ccc(O)c(O)c2)cc1O,0.0
Cc1cc(C(=O)NC2CC2)cc2[nH]c(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)nc12,0.0
COc1ccc(N2CC[NH+](C(C)C)CC2)cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1,0.0
Nc1ncnc2c1c(-c1ccc3nc(CCc4ccccc4)[nH]c3c1)nn2[C@H]1CC[C@H](N2CCOCC2)CC1,0.0
Cn1c(Cc2ccccc2)nc2cc(-c3nn([C@H]4CC[C@H](N5CCOCC5)CC4)c4ncnc(N)c34)ccc21,0.0
Nc1nccn2c(C3CCC3)nc(-c3cccc(O)c3)c12,0.0
CCC[N@H+]1CC[C@H](Oc2ccc(OC)c(Nc3nc(Nc4cccc(F)c4C(N)=O)c4cc[nH]c4n3)c2)CC1,0.0
O=C(Nc1cccc(Nc2nccc(Nc3cccc(C(F)(F)F)c3)n2)c1)C1CC1,0.0
[NH3+]Cc1ccc(-c2cnc3[nH]cc(-c4cccc(NC(=O)Nc5ccccc5Oc5ccccc5)c4)c3c2)cc1,0.0
Cc1cc(N2CCC(N3CCOCC3)CC2)cc2[nH]c(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)nc12,0.0
COc1cc2c(cc1Nc1nc(Nc3cccc(F)c3C(N)=O)c3cc[nH]c3n1)N(C(=O)CCN1CCOCC1)CC2,0.0
O=C(Nc1cccc(-c2c[nH]c3ncc(-c4ccoc4)cc23)c1)Nc1ccccc1Oc1ccccc1,0.0
Nc1nccn2c1c(-c1cccc(OCc3ccccc3)c1)nc2[C@H]1C[C@H](C[NH3+])C1,0.0
Cc1cc(-n2ccnc2)cc2[nH]c(-c3c(NCCc4ccccn4)cc[nH]c3=O)nc12,0.0
Nc1ncnc2c1c(-c1ccc3nc(Cc4cccs4)[nH]c3c1)nn2[C@H]1CC[C@H](N2CCOCC2)CC1,0.0
Cc1cc(C2=[NH+]CCCN2)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
COc1ccccc1Cc1nc2ccc(-c3nn([C@H]4CC[C@H](N5CC[NH2+]CC5)CC4)c4ncnc(N)c34)cc2[nH]1,0.0
COc1cc2c(cc1Nc1nc(Nc3cccc(F)c3C(N)=O)c3cc[nH]c3n1)N(C(=O)Cn1ccnc1)CC2,0.0
Cc1cc(N2CCOCC2)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
Nc1nccn2c1c(-c1cccc(OCc3ccccc3)c1)nc2[C@H]1C[C@H](C[NH+]2CCCCC2)C1,0.0
Nc1nccn2c1c(-c1cccc(OCc3ccccc3)c1)nc2[C@H]1CC[C@H](CN2CCOCC2)CC1,0.0
O=C(NC(=S)Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1ccc([N+](=O)[O-])cc1,0.0
CCC[N@H+]1CC[C@H](c2ccc(Nc3nc(Nc4cc(F)ccc4C(N)=O)c4cc[nH]c4n3)c(OC)c2)CC1,0.0
Nc1nccn2c1c(-c1cccc(OCc3ccccc3)c1)nc2[C@H]1CC[C@H](C[NH+]2CCC2)CC1,0.0
CN(C)C(=O)c1cccc(-c2cnc3[nH]cc(-c4cccc(NC(=O)Nc5ccccc5Nc5ccccc5)c4)c3c2)c1,0.0
COc1cc(N2CC[NH+](C(C)C)CC2)ccc1Nc1nc(Nc2ccc3ncccc3c2)c2cc[nH]c2n1,0.0
O=C(c1ccccc1)N1CCN(C2c3ccccc3-c3ccccc32)CC1,0.0
CCCCCCc1ccc(Oc2cccc(NC(=O)c3ccno3)c2)c(O)c1,0.0
O=C(c1ccc2[nH]ccc2c1)N1CCN(C2c3ccccc3-c3ccccc32)CC1,0.0
CCCCCCc1ccc(Oc2ccc([N+](=O)[O-])cc2)c(O)c1,0.0
Cc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1,0.0
CCCCCCc1ccc(Oc2cccc(N)c2)c(O)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
CCCCCCc1ccc(Oc2ccccc2N)c(O)c1,0.0
CCCCCCc1ccc(Oc2ccccc2[N+](=O)[O-])c(O)c1,0.0
Cc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1C,0.0
O=C(Nc1cccc(-c2ccccc2)c1)[C@@H]1CC(=O)N(C2CCCCC2)C1,0.0
CCCCCCc1ccc(Oc2cccc([N+](=O)[O-])c2)c(O)c1,0.0
O=C(Nc1cccc(Cc2ccccc2)c1)[C@@H]1CC(=O)N(C2CCCCC2)C1,0.0
CCCCCCc1ccc(Oc2ccccc2CN2CC[NH+](C)CC2)c(O)c1,0.0
CCCCCCc1ccc(Oc2ccc(NC(=O)C(=O)[O-])cc2)c(O)c1,0.0
CCCCCCc1ccc(Oc2cccc(NC(=O)C(=O)[O-])c2)c(O)c1,0.0
CCCCCCc1ccc(Oc2ccc(N)cc2)c(O)c1,0.0
CN(Cc1c2ccccc2cc2ccccc12)C(=O)[C@@H]1CC(=O)N(C2CCCCCCC2)C1,0.0
CCCCCCc1ccc(Oc2ccccc2NC(=O)C(=O)[O-])c(O)c1,0.0
CCCCCCc1ccc(Oc2cccnc2)c(O)c1,0.0
CCCCCCc1ccc(Oc2cccc(NC(C)=O)c2)c(O)c1,0.0
CCCCCCCCc1ccc(Oc2ccccc2)c(O)c1,0.0
CCCCCCc1ccc(Oc2ccccc2NC(C)=O)c(O)c1,0.0
CN(Cc1c2ccccc2cc2ccccc12)C(=O)[C@@H]1CC(=O)N(C2CCCCCC2)C1,0.0
O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CC(=O)N(C2CCCCC2)C1,0.0
CCCCCCc1ccc(Oc2ccccc2)c(O)c1,0.0
CCCCCCc1ccc(Oc2ccccn2)c(O)c1,0.0
CCCCCCc1ccc(Oc2cnccn2)c(O)c1,0.0
CCCCCCc1ccc(Oc2nc(OC)cc(OC)n2)c(O)c1,0.0
CCCCCCc1ccc(Oc2ncccn2)c(OC)c1,0.0
CN(Cc1c2ccccc2cc2ccccc12)C(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1,0.0
CCCCCCc1ccc(Oc2ncccn2)c(O)c1,0.0
CCCCCCc1ccc(Oc2ccncc2)c(O)c1,0.0
CCCCCCc1ccc(Oc2ccc(NC(=O)c3ccno3)cc2)c(O)c1,0.0
CCCCCCc1ccc(Oc2ccc(NC(C)=O)cc2)c(O)c1,0.0
O=C(Nc1cccc(Br)c1)[C@@H]1CC(=O)N(C2CCCCC2)C1,0.0
CCCCCCc1ccc(Oc2ccc(CN3CC[NH+](C)CC3)cc2)c(O)c1,0.0
C[C@]1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2nnnn21,0.0
O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])c1c(F)cccc1Cl,0.0
O=C(/C=C/c1ccc(Sc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1)NCCCN1CCCC1=O,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@@]1(C)Cc1ccc(Br)cc1,0.0
O=C1[C@@H]2C[C@H](OCc3cccc(-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
O=C([O-])C1CCN(C(=O)/C=C/c2ccc(Sc3ccc4c(c3)OCCO4)c3ccccc23)CC1,0.0
O=C(/C=C/c1ccc(Sc2cccc(OC3CCCCC3)c2)c(C(F)(F)F)c1C(F)(F)F)N1CCOCC1,0.0
C[C@]1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2nncn21,0.0
Clc1ccc(Sc2ccccc2NCCCN2CCOCC2)c(Cl)c1,0.0
O=C(/C=C/c1ccc(Sc2cccc(OCc3ccncc3)c2)c(C(F)(F)F)c1C(F)(F)F)N1CCOCC1,0.0
O=C1[C@@H]2C[C@H](Oc3ccc(-c4ccc(Br)cc4)cc3)CN2C(=O)N1c1cc(Cl)cc(Cl)c1,0.0
O=C(/C=C/c1ccc(Sc2cccc(NC3CCOCC3)c2)c(C(F)(F)F)c1C(F)(F)F)N1CCOCC1,0.0
O=C(/C=C/c1ccc(Sc2cccc(OC3CCOCC3)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(OCc3ccccn3)c2)c(C(F)(F)F)c1C(F)(F)F)N1CCOCC1,0.0
CC(=O)N[C@@H]1CCN(c2cc(-c3ccc(Sc4ccc5c(c4)OCCO5)c(C(F)(F)F)c3)cc[nH+]2)C1,0.0
CC(=O)N1CCN(C(=O)/C=C/c2ccc(Sc3cccc4ccn(C)c34)c(Cl)c2)CC1,0.0
O=C(/C=C/c1ccc(Sc2cccc(NC3CCCC3)c2)c(C(F)(F)F)c1C(F)(F)F)N1CCOCC1,0.0
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(OCc3ccccc3)c2)c(C(F)(F)F)c1C(F)(F)F)N1CCOCC1,0.0
O=C([O-])C1CCN(C(=O)/C=C/c2ccc(Sc3ccc4c(c3)OCCO4)c(C(F)(F)F)c2C(F)(F)F)CC1,0.0
O=C(/C=C/c1ccc(Sc2cccc(OCc3c[nH]cn3)c2)c(C(F)(F)F)c1C(F)(F)F)N1CCOCC1,0.0
O=C(/C=C/c1ccc(Sc2ccc(Cl)cc2Cl)c(Cl)c1)N1CCN(c2cccc[nH+]2)CC1,0.0
O=C([O-])[C@@H]1CCCN(c2cc(-c3ccc(Sc4ccc5c(c4)OCCO5)c(C(F)(F)F)c3)cc[nH+]2)C1,0.0
CC(C)c1ccccc1Sc1ccc(/C=C/C(=O)N2CCC3(CC2)OCCO3)cc1[N+](=O)[O-],0.0
CC(C)c1ccccc1Sc1ccc(-c2cc(NCCCn3cc[nH+]c3)ncn2)cc1C(F)(F)F,0.0
O=C(/C=C/c1ccc(Sc2ccc(Cl)cc2Cl)c(Cl)c1)NCCCCCCO,0.0
CC(=O)N1CCN(C(=O)/C=C/c2ccc(Sc3ccc4[nH]ccc4c3)c(Cl)c2)CC1,0.0
CC(=O)N1CCN(c2cc(-c3ccc(Sc4ccccc4C(C)C)c(C(F)(F)F)c3)cc[nH+]2)CC1,0.0
O=C(/C=C/c1ccc(Sc2ccccc2/C=C/C(=O)N2CCOCC2)c(Cl)c1)N1CCOCC1,0.0
CC(=O)N1CCN(C(=O)/C=C/c2ccc(Sc3ccc4c(c3)OCCO4)c(Cl)c2Cl)CC1,0.0
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
O=C(/C=C/c1ccc(Sc2ccccc2OC2CCSCC2)c(C(F)(F)F)c1C(F)(F)F)N1CCOCC1,0.0
C[C@@]1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc(S(=O)(=O)N3CC[NH2+]CC3)n21,0.0
C[N@H+]1CC[C@H](Nc2cccc(Sc3ccc(/C=C/C(=O)N4CCOCC4)c(C(F)(F)F)c3C(F)(F)F)c2)CC1,0.0
Oc1ccc([C@H]2Nc3ccccc3-c3ncnc4[nH]cc2c34)c(F)c1,0.0
O=c1[nH]ccc2c3[nH]c(-c4c(F)cccc4Cl)nc3c3ccc(F)cc3c12,0.0
C[C@H](Nc1nc(-n2c[nH+]c3ccncc32)nc2c1cc(C(=O)NCCCN1CCOCC1)n2C)c1ccccc1,0.0
C[C@H](Nc1cc(N2CC[C@@H](O)C2)nc(-n2c[nH+]c3ccncc32)n1)c1ccccc1,0.0
CONC(=O)c1cc2c(N[C@@H](C)c3ccccc3)nc(-n3c[nH+]c4ccncc43)nc2n1C,0.0
C[C@H](Nc1nc(-n2c[nH+]c3ccncc32)nc2c1cc(C(=O)NCCCn1cc[nH+]c1)n2C)c1ccccc1,0.0
Nc1nn2cccnc2c1-c1cc(OCc2ccc(F)cc2)ncn1,0.0
Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=O)c1c(F)cccc1F,0.0
C[C@H](Nc1cc(-c2ccoc2)nc(-n2cnc3ccc(C#N)cc32)n1)c1ccccc1,0.0
Oc1ccc(C2=Nc3ccccc3-c3ncnc4[nH]cc2c34)c(Cl)c1,0.0
C[C@H](Nc1ccnc(-n2c[nH+]c3ccncc32)n1)c1ccccc1,0.0
C[C@H](Nc1ccnc(-n2cnc3cnccc32)n1)c1ccccc1,0.0
C[NH+]1CCN(c2cc(Oc3ccccc3Cl)nc(-n3c[nH+]c4ccncc43)n2)CC1,0.0
C[C@H](Nc1cc(-c2cnn(C)c2)nc(-n2c[nH+]c3ccncc32)n1)c1ccccc1,0.0
C[NH+]1CCN(c2cc(Nc3ccccc3Cl)nc(-n3c[nH+]c4ccncc43)n2)CC1,0.0
O=C1Nc2ccc(-c3cccnc3)cc2/C1=C/c1ccc[nH]1,0.0
Nc1nn2cccnc2c1-c1cc(NCc2cccnc2)ncn1,0.0
COC(=O)C[C@H]1Nc2ccccc2-c2ccnc3[nH]cc1c23,0.0
COC[C@H](C)Nc1cc(-c2ccoc2)nc(-n2c[nH+]c3ccncc32)n1,0.0
C[C@H](Nc1cc(N2CC[NH+](C)CC2)nc(-n2c[nH+]c3ccncc32)n1)c1ccccc1,0.0
C[C@@H](Nc1cc(-c2c(N)nn3cccnc23)ncn1)c1ccc(F)cc1,0.0
Nc1nn2cccnc2c1-c1cc(N[C@@H]2CCc3ccccc32)ncn1,0.0
C[C@@H](Nc1nccc(-n2c[nH+]c3ccncc32)n1)c1ccccc1,0.0
Clc1cnc2[nH]cc(-c3ccccc3)c2c1,0.0
Nc1nn2cccnc2c1-c1cc(N2CCOCC2)ncn1,0.0
Cc1cc(Nc2nc(O[C@@H](C)c3ccc(F)cn3)c(C#N)nc2C)n[nH]1,0.0
CC(C)Nc1cc(-c2c(N)nn3cccnc23)ncn1,0.0
Cc1cc(Nc2cnc(C#N)c(N[C@H](C)c3ccc(F)cn3)n2)n[nH]1,0.0
COc1cc(Nc2nc3cccc(-c4ccc5ncccc5c4)c3o2)cc(OC)c1OC,0.0
COc1cc(Nc2ncc(C)s2)nc(N[C@@H](C)c2ncc(F)cn2)n1,0.0
CCN(Cc1ccncc1)c1cc(-c2c(N)nn3cccnc23)ncn1,0.0
C[C@H](Nc1nc(-n2c[nH+]c3ccncc32)nc2c1cc(C(=O)N1CCOCC1)n2C)c1ccccc1,0.0
C[C@H](Nc1nc(Nc2cc(C3CC3)[nH]n2)cnc1C#N)c1ccc(F)cn1,0.0
Cc1cnc(Nc2cc(N3CCOCC3)nc(N[C@@H](C)c3ncc(F)cn3)n2)s1,0.0
COc1ccc(-c2cc(N[C@@H](C)c3ccccc3)nc(-n3c[nH+]c4ccncc43)n2)cc1OC,0.0
Cc1cnc(Nc2cncc(N[C@@H](C)c3ncc(F)cn3)n2)s1,0.0
CC(C)(C)[C@H](O)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
FC(F)(F)c1ccc2c(c1)[C@H]1O[C@@H](Cn3cncn3)CC[C@H]1[C@H](c1ccccc1)N2,0.0
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]1c1ccccc1)C1CC1,0.0
Cc1ccc2c(c1C)CN(C(=O)N(C)C)C[C@@H]2c1cccc(O)c1,0.0
CC(C)(C)c1ccc2c(c1)[C@H]1OCCC[C@H]1[C@H](c1cccs1)N2,0.0
Cc1ccc2[nH]c3c(c2c1)CCN(C(=O)CC[NH3+])[C@@H]3c1cccc(O)c1,0.0
CN(C(=O)N1CC(c2cc(F)ccc2F)=C[C@@H]1c1cccc(O)c1)C1CC[NH2+]CC1,0.0
CC(C)(C)c1ccc2c(c1)[C@H]1OCCC[C@H]1[C@H](c1nccs1)N2,0.0
CCCCN1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cccc(O)c3)N2C1=O,0.0
CN(C(=O)N1CC(c2cc(F)ccc2F)=C[C@H]1c1ccccc1)C1CC[NH2+]CC1,0.0
NS(=O)(=O)Nc1ccc(-c2ccc3c(c2)OC(F)(F)C(F)(F)O3)cc1,0.0
CN(C)C(=O)N1Cc2cc(I)ccc2[C@@H](c2cccc(O)c2)C1,0.0
C[NH2+]C[C@H]1CC[C@@H]2[C@H](O1)c1cc(C3CC3)ccc1N[C@H]2c1ccccc1,0.0
C[NH2+]C[C@H]1CC[C@@H]2[C@H](O1)c1cc(Br)cc(F)c1N[C@H]2c1ccccc1,0.0
CN(C)C(=O)N1Cc2c(ccc3c2OCC3)[C@@H](c2cccc(O)c2)C1,0.0
NS(=O)(=O)Nc1ccc(-c2ccc(C(F)(F)F)cc2)cc1F,0.0
FC(F)(F)c1ccc2c(c1)[nH]c1ccccc12,0.0
CC(=O)N1N=C(c2cc(F)ccc2F)C[C@@]1(CCC[NH3+])c1ccccc1,0.0
NS(=O)(=O)Nc1ccc(-c2ccc(C(F)(F)F)cc2)cc1,0.0
CC(C)c1ccc2c(c1)[C@H]1O[C@@H](CNS(=O)(=O)CCC[NH+](C)C)CC[C@H]1[C@H](c1ccccc1)N2,0.0
Oc1cccc([C@H]2c3[nH]c4ccc(Cl)cc4c3CCN2Cc2ccccc2)c1,0.0
O=C(CC1CC[NH2+]CC1)N1CCc2c([nH]c3ccc(Cl)cc23)[C@H]1c1cccc(O)c1,0.0
NS(=O)(=O)Nc1ccc(-c2ccc(C(F)(F)F)cn2)cc1,0.0
NS(=O)(=O)Nc1ccc(-c2ccc3c(c2)OC(F)(F)O3)cc1,0.0
[NH3+]CCC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)[C@H]1c1c[nH]c2ccccc12,0.0
CN(C)C(=O)N1CC(c2cc(F)ccc2F)=C[C@@]1(CCC[NH3+])c1ccccc1,0.0
CC(C)(C)c1ccc2c(c1)[nH]c1ccccc12,0.0
CC(C)(C)c1ccc2c(c1)[C@H]1OCCC[C@H]1[C@H](c1ccc(Cl)s1)N2,0.0
CC(=O)N1CCc2c([nH]c3ccc(C)cc23)[C@H]1c1c[nH]c2ccccc12,0.0
CC(=O)C1=NN(c2cc(F)ccc2F)C[C@@]1(CCCN1CCS(=O)(=O)CC1)c1ccccc1,0.0
CC1=C(C(=O)c2ccccc2)[C@@H](c2cccc(O)c2)NC(=S)N1C,0.0
CC1(C)CC(=O)C2=C(C1)NC(=S)N[C@H]2c1cccc(O)c1,0.0
CCCC(=O)N1CCc2c([nH]c3ccc(C)cc23)[C@@H]1c1c[nH]c2ccccc12,0.0
CC(=O)C1=NN(c2cc(F)ccc2F)C[C@@]1(CCCN1CCOCC1)c1ccccc1,0.0
CC(=O)C1=NN(c2cc(F)ccc2F)C[C@@]1(CCC[NH+]1CCCC1)c1ccccc1,0.0
Oc1ccc(C[C@@]2(O)COc3c(ccc(O)c3O)[C@H]2O)cc1O,0.0
O=C(NCCCN1CCOCC1)c1cc(CNc2ccccc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)ccn1,0.0
Cc1c2ccncc2c(C)c2c1[nH]c1ccc(O)cc12,0.0
O=C(Nc1cccc2c1Cc1c-2n[nH]c1-c1ccsc1)c1ccccc1,0.0
CNc1nccc(CNc2ccccc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)n1,0.0
O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1NCc1ccncc1,0.0
CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21,0.0
Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=O)c1c(F)cccc1F,0.0
O=C(Nc1ccc2c(c1)CCC2)Nc1cc(CNc2ccccc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)ccn1,0.0
O=C(NCc1ccccc1)Nc1cc(CNc2ccccc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)ccn1,0.0
O=C(Nc1ccc2c(c1)OC(F)(F)C(F)(F)O2)c1ccccc1NCc1ccncc1,0.0
Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(-c3ccccc3F)nncc2c1,0.0
O=C(NC1CC1)c1cc(CNc2ccccc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)ccn1,0.0
c1ccc(-c2n[nH]c3c2oc2ccccc23)cc1,0.0
CC(=O)Nc1cc(CNc2ccccc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)ccn1,0.0
O=C(Nc1ccc2c(c1)OC(F)(F)O2)c1ccccc1NCc1ccnc(C2=[NH+]CCN2)c1,0.0
Cc1cc(C(=O)Nc2cccc3c2Cc2c-3n[nH]c2-c2ccsc2)no1,0.0
O=C(Nc1cc(Oc2cccc3[nH]c(=O)[nH]c23)c(F)c(F)c1F)c1cccc(OC(F)(F)F)c1,0.0
O=C(Nc1ccc2c(c1)OC(F)(F)O2)c1ccccc1NCc1cc[nH+]c(NCCc2c[nH]c[nH+]2)c1,0.0
CNC(=O)c1cc(CNc2ccsc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)ccn1,0.0
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1ncccc1-c1ccncn1,0.0
O=C(Nc1cccc(-c2cncc3ccccc23)c1)c1ccccc1NCc1ccncc1,0.0
O=C(Nc1ccc2c(c1)OC(F)(F)O2)c1ccccc1NCc1cc[nH+]c(NCCCn2cc[nH+]c2)c1,0.0
O=C(Nc1ccccc1)Nc1cc(CNc2ccccc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)ccn1,0.0
CNC(=O)c1cc(CNc2ncsc2C(=O)Nc2ccc3c(c2)OC(F)(F)C(F)(F)O3)ccn1,0.0
CNC(=O)c1cc(CNc2ncsc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)ccn1,0.0
CCNC(=O)Nc1ccc(CNc2ncsc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)cn1,0.0
CNC(=O)c1cc(CNc2c(C(=O)Nc3ccc4c(c3)OC(F)(F)O4)cnn2C)ccn1,0.0
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)c1cncnc1,0.0
Cc1cccc(C(=O)Nc2cccc([C@H](C)Nc3cncc(Cl)n3)c2)c1,0.0
O=C(Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1)c1cccn(-c2ccc(F)cc2)c1=O,0.0
Cc1cc(Nc2cc(N3CC[NH+](C)CC3)nc(/C=C/c3ccccc3)n2)[nH]n1,0.0
COC(=O)C(=O)Nc1cccc2c1Cc1c-2n[nH]c1-c1csc(C#CCOc2ccccc2)c1,0.0
O=C(Nc1ccc2c(c1)OC(F)(F)C(F)(F)O2)c1ncsc1NCc1ccncc1,0.0
O=C(Cn1cc(Nc2nncc3cc(OCCC[N@@H+]4CCC[C@@H]4CO)ccc23)cn1)Nc1cccc(F)c1F,0.0
Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1N1Cc2cnc(N)nc2N(C)C1=O,0.0
Cc1cccc(NC(=O)Nc2ccc(-c3ccc(OCC[NH+]4CCCC4)c4[nH+][nH]c(N)c34)cc2)c1,0.0
Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NC[C@@H](O)CN1CCOCC1,0.0
CC(=O)Nc1ccc(NC(=O)c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2C)cn1,0.0
Cc1cccc(NC(=O)NCc2ccc(-c3n[nH]c4c3Cc3ccc(CN5CC[NH+](C)CC5)cc3-4)s2)c1,0.0
Cc1cccc(NC(=O)Nc2ccc(-c3ccc(OCCN4CCOCC4)c4[nH+][nH]c(N)c34)cc2)c1,0.0
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)Cc3ccccc3F)O2)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]3c4ccccc4Sc4c(Cl)cccc43)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O,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=c1[nH]c(Nc2cccc([C@@H](Cl)C(F)(F)Cl)c2)nc2[nH]cnc12,0.0
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]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)C3c4ccccc4Sc4ccccc43)[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
O=c1[nH]c(Nc2cccc(CC(F)(F)F)c2)nc2[nH]cnc12,0.0
CCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)Cc3c(C)cccc3C)O2)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
O=c1[nH]c(Nc2ccccc2)nc2c1ncn2[C@@H]1C[C@@H](O)[C@@H](CO)O1,0.0
O=c1[nH]c(Nc2cccc(Cl)c2)nc2[nH]cnc12,0.0
[O-]c1nc(Sc2ccccc2)nc2c1ncn2CCCCO,0.0
C=CCn1cnc2c(=O)[nH]c(Nc3ccccc3)nc21,0.0
O=c1[nH]c(Nc2ccccc2)nc2c1ncn2CCCCO,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]2C[C@H](O)[C@@H](CNC(=O)Cc3ccccc3C(F)(F)F)O2)c(=O)[nH]c1=O,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)C3c4ccccc4-c4ccccc43)O2)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)Cc3ccccc3C)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)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)C3c4ccccc4Oc4ccccc43)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]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]2C[C@H](O)[C@@H](CNC(=O)Cc3ccccc3OC)O2)c(=O)[nH]c1=O,0.0
O=c1[nH]c(Nc2ccccc2)nc2c1ncn2CCCCN1CCCc2ccccc21,0.0
Cc1cn([C@H]2O[C@H](CO)[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
O=c1[nH]c(=O)n([C@@H]2C[C@@H](O)[C@@H](CO)O2)cc1/C=C/Br,0.0
COCCn1cnc2c(=O)[nH]c(Nc3ccccc3)nc21,0.0
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(C)cccc43)[C@@H](O)[C@@H]2F)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]2C[C@H](O)[C@@H](CNC(=O)C3c4ccccc4CCc4ccccc43)O2)c(=O)[nH]c1=O,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)C3c4ccccc4Sc4ccccc43)O2)c(=O)[nH]c1=O,0.0
Cc1cn([C@@H]2C[C@@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O,0.0
O=c1[nH]c(=O)n([C@@H]2C[C@@H](CO)[C@@H](O)C2)cc1I,0.0
O=c1[nH]c(Nc2ccccc2)nc2c1ncn2CCCC[N@@H+]1CCCC[C@@H]1CCO,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(=O)n([C@H]2O[C@H](CO)[C@H](O)[C@@H]2F)cc1I,0.0
O=C1NC(=O)c2c1c1c(c3[nH]c4ccccc4c23)CCc2ccccc2-1,0.0
Cc1cccc(C2=C(c3cn(C)c4ccccc34)C(=O)NC2=O)c1,0.0
O=C(CCn1c2ccccc2c2c3c(c4c5ccccc5[nH]c4c21)C(=O)NC3)NCC[NH+]1CCCCC1,0.0
O=C(OCCCCc1ccc(O)cc1)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)[O-])c(O)c1,0.0
COc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CC[NH2+]CC2)n1,0.0
CC(C)=C1C[C@@](CO)(COC(=O)COc2ccc(C#Cc3ccc(C)cc3)cc2)OC1=O,0.0
CC(C)=C1C[C@@](CO)(COC(=O)c2ccc(C#Cc3ccc(C)cc3)cc2)OC1=O,0.0
COc1ccc(C2=NOC(=O)/C2=C\c2cccs2)cc1,0.0
O=C1NC(=O)C2=C1c1cn(c3ccccc13)CCO[C@H](CNS(=O)(=O)c1ccccc1)CCn1cc2c2ccccc21,0.0
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
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
O=C(O[C@@H]1CCC[C@@H]1Oc1ccc(O)cc1)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)[O-])c(O)c1,0.0
[NH3+][C@@H]1C[C@@H](NC(=O)c2ccc(O)cc2)[C@H](OC(=O)c2cc(O)c(C(=O)c3c(O)cccc3C(=O)[O-])c(O)c2)C1,0.0
CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OC[C@H]3CCC[NH2+]C3)c21,0.0
CC(C)=C1C[C@@](CO)(COC(=O)CCOc2ccc(C#Cc3ccc(C)cc3)cc2)OC1=O,0.0
O=C1NC(=O)C2=C1c1cn(c3ccccc13)CCO[C@H](C[NH2+]Cc1ccccc1)CCn1cc2c2ccccc21,0.0
Cn1cc(C2=C(c3cn([C@@H]4CC[N@@H+](Cc5ccccc5)C4)c4ccccc34)C(=O)NC2=O)c2ccccc21,0.0
O=C(N[C@H]1CCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2-c2nnn[n-]2)c(O)c1)c1ccc(O)cc1,0.0
Cn1cc(C2=C(c3cn([C@H]4CC[N@H+](Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21,0.0
C[N@@H+]1CCC[C@@H]1CCNC(=O)CCn1c2ccccc2c2c3c(c4c5ccccc5[nH]c4c21)C(=O)NC3,0.0
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
O=C1NC(=O)C(c2nn(CCCN3CCOCC3)c3ccccc23)=C1c1cn(-c2ccc3ccccc3c2)c2ccccc12,0.0
O=C1NC(=O)C(c2cn(CCC[NH+]3CCCCC3)c3ccccc23)=C1Nc1ccccc1,0.0
O=C1NC(=O)c2c1c1c3ccccc3n3c1c1c2c2ccccc2n1[C@@H]1COC[C@H]3S1(=O)=O,0.0
O=C1NC(=O)C(c2nn(CCC[NH+]3CCCC3)c3ccccc23)=C1c1cn(-c2ccc3ccccc3c2)c2ccccc12,0.0
NC(=[NH2+])SCCCn1cc(C2=C(Nc3ccccc3)C(=O)NC2=O)c2ccccc21,0.0
O=C(N[C@@H]1C[NH2+]C[C@H]1NC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)[O-])c(O)c1)c1ccc(O)cc1,0.0
CN1[C@H]2CC[C@@H]1n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4=O,0.0
O=C(CCn1c2ccccc2c2c3c(c4c5ccccc5[nH]c4c21)C(=O)NC3)NCCN1CCOCC1,0.0
O=C1NC(=O)c2c1c1c3ccccc3n3c1c1c2c2ccccc2n1[C@H]1COC[C@@H]3N1,0.0
CC[N@H+]1CC[C@H](n2cc(C3=C(c4cn(C)c5ccccc45)C(=O)NC3=O)c3ccccc32)CC1,0.0
Cn1cc(C2=C(c3cn([C@H]4CC[N@H+](Cc5ccccc5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21,0.0
Cn1cc(C2=C(c3c4n(c5ccccc35)CC[C@H](C[NH3+])CC4)C(=O)NC2=O)c2ccccc21,0.0
O=C1NC(=O)C2=C1c1cn(c3ccccc13)CCOCCOCCOCCn1cc2c2cccnc21,0.0
O=C1NCc2c1c1c3ccccc3n3c1c1c2c2ccccc2n1CS(=O)(=O)C3,0.0
Cc1ccc(O)cc1Nc1cc(N2CCOCC2)nc(-n2cnc3ccccc32)n1,0.0
Cc1ccc(O)cc1Nc1ccnc(Nc2cccc(S(N)(=O)=O)c2)n1,0.0
Cc1ccc(O)cc1Nc1cc(N2CC[NH+](C)CC2)nc(-n2cnc3ccccc32)n1,0.0
NC(=O)C[N@H+]1CC[C@H](n2cc(-c3cccc(O)c3)c3c(N)ncnc32)CC1,0.0
Cc1ccc(O)cc1Nc1cc(NN2CCOCC2)nc(-n2cnc3ccccc32)n1,0.0
Cc1ccc(O)cc1Nc1nccc(-c2noc3ccccc23)n1,0.0
Cc1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1ccc2nc(N)ncc2c1,0.0
Cc1cccc(Cl)c1Nc1nc2ccccc2n1-c1cc(N)ncn1,0.0
Cc1ccc(O)cc1Nc1cc(CCCC2CC[NH2+]CC2)nc(-n2cnc3ccccc32)n1,0.0
CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21,0.0
Cc1ccc(O)cc1Nc1cc(NCCN2CCOCC2)nc(-n2cnc3ccccc32)n1,0.0
Cc1ccc(O)cc1Nc1nccc(-n2cnc3ccccc32)n1,0.0
Cc1ccc(O)cc1Nc1cc(OCCN2CCOCC2)nc(-n2cnc3ccccc32)n1,0.0
C[C@H](Nc1nccc(-n2cnc3ccccc32)n1)C1CCCCC1,0.0
NC(=O)c1cccc(Nc2nccc(Nc3cccc4ncccc34)n2)c1,0.0
O=C([O-])c1cc(CCc2ccc(O)c(O)c2)ccc1O,0.0
Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(-c3ccccc3F)nncc2c1,0.0
O=C(c1ccc2ccccc2c1)N1CCO[C@@H](CNc2nccc(-n3cnc4ccccc43)n2)C1,0.0
Cc1cc(NC(=O)c2ccc(C)c(Nc3nc4ccccc4n3-c3cc(N)ncn3)c2)ccn1,0.0
Cc1ccc(O)cc1Nc1cc(C[C@H]2CC[N@H+](C)CC2)nc(-n2cnc3ccccc32)n1,0.0
Cc1cccc(Cl)c1Nc1nc2cc3c(cc2n2cncc12)OCO3,0.0
Cc1ccc(O)cc1Nc1cc(NCCN2CC[NH+](C)CC2)nc(-n2cnc3ccccc32)n1,0.0
Cc1ccccc1-c1ccc2nc(N)ncc2c1,0.0
c1ccc(Oc2ccc(Nc3ncnc4ccccc34)cc2)cc1,0.0
Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1,0.0
Cc1ccc(O)cc1Nc1cc(OCCN2CC[NH+](C)CC2)nc(-n2cnc3ccccc32)n1,0.0
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1ncccc1-c1ccncn1,0.0
Cc1cccc(Cl)c1NC(=O)c1ccc2nc(NC(=O)Nc3ccc(F)cc3)sc2c1,0.0
Cc1ccc(C(=O)Nc2cccc(C(C)C)c2)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1,0.0
CC(C)(C)n1nc(-c2cccc3ccccc23)c2c(N)ncnc21,0.0
O=C(c1ccc2ccccc2c1)N1CCC[C@@H](CNc2nccc(-n3cnc4ccccc43)n2)C1,0.0
Cc1ccc(O)cc1Nc1cc(NN2CC[NH+](C)CC2)nc(-n2cnc3ccccc32)n1,0.0
Nc1ncnc2c1c(-c1cccc(Oc3ccccc3)c1)cn2C1CCCC1,0.0
Cc1ccccc1CC(=O)Nc1nc2ccc(C(=O)Nc3c(C)cccc3Cl)cc2s1,0.0
Cc1ccn(CCC2CCCC2)c(=O)c1-c1ccc2nc(N)ncc2c1,0.0
C[C@@H](Nc1nccc(-n2cnc3ccccc32)n1)[C@@H]1CCCN(C(=O)Nc2ccc3ccccc3c2)C1,0.0
Cc1cccc(Cl)c1Nc1nc2ncccc2n2cncc12,0.0
Cc1ccc2[nH]ncc2c1Nc1ccnc(Nc2cccc(C(N)=O)c2)n1,0.0
O=C(C[C@@H](Cc1ccccc1)C(=O)N1CCCC[C@H]1C(=O)[O-])NO,0.0
O=C(C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])NO,0.0
O[C@]1(c2ccccc2)CC[N@H+](CCOc2ccc(Oc3nc4ccccc4s3)cc2)CC1,0.0
c1ccc(Cc2ccc(OCCn3cnc4ncncc43)cc2)cc1,0.0
O=C(C[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)[O-])NO,0.0
O=C(C[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)[O-])NO,0.0
O[C@]1(c2ccccc2)CC[N@H+](CCOc2ccc(Oc3nc4ccccc4o3)cc2)CC1,0.0
c1ccc(Cc2ccc(OCC[n+]3ccc4[nH]cnc4c3)cc2)cc1,0.0
c1ccc(Cc2ccc(OCCn3cncc4ncnc3-4)cc2)cc1,0.0
c1ccc(-c2cccc(OCC[NH+]3CCCC3)c2)cc1,0.0
[NH3+][C@@H](CCC(=O)Nc1ccc(OCC(=O)c2ccccc2)cc1)C(=O)[O-],0.0
c1ccc2sc(Oc3ccc(OCCC[NH+]4CCCCC4)cc3)nc2c1,0.0
FC(F)(c1ccccc1)c1ccc(OCC[NH+]2CCCC2)cc1,0.0
c1ccc(Cc2ccc(OCCn3cnc4ncnc-4c3)cc2)cc1,0.0
O=C1CCCN1[C@H]1CC[N@H+](CCOc2ccc(Oc3nc4ccccc4s3)cc2)CC1,0.0
c1ccc(Cc2ccc(CCC[NH+]3CCCC3)cc2)cc1,0.0
O=C1CCCCN1[C@H]1CC[N@H+](CCOc2ccc(Oc3nc4ccccc4s3)cc2)CC1,0.0
C[N@H+](Cc1ccc(C(=O)[O-])cc1)C1CCN(CC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1,0.0
CN(CC(=O)Nc1ccc(Oc2ccccc2)cc1)[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2)CC1,0.0
c1ccc(CCc2ccc(OCC[NH+]3CCCC3)cc2)cc1,0.0
CN(CC(=O)Nc1ccc(Oc2ccccc2)cc1)[C@H]1CC[N@H+](Cc2ccc(C(=O)[O-])cc2)CC1,0.0
c1ccc(Cc2ccc(OCCn3cnc4cncnc43)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
c1ccc2[nH]c(Oc3ccc(OCC[NH+]4CCCCC4)cc3)nc2c1,0.0
c1ccc(Cc2ccc(OCCn3cccc4ncnc3-4)cc2)cc1,0.0
c1ccc2oc(Oc3ccc(OCCC[NH+]4CCCCC4)cc3)nc2c1,0.0
[NH3+][C@@H](CCC(=O)Nc1ccc(Oc2ccccc2)cc1)CN1C(=O)c2ccccc2C1=O,0.0
C[N@H+](CCCOc1ccc(Cc2ccccc2)cc1)CC/C([O-])=N/S(=O)(=O)c1ccccc1,0.0
c1ccc2sc(Oc3ccc(OCC[NH+]4CCCC4)cc3)nc2c1,0.0
O=c1ccc2ncn(CCOc3ccc(Cc4ccccc4)cc3)c2[nH]1,0.0
C[C@H](NC(=O)[C@@H](CC(=O)NO)CC1CCCCC1)C(=O)[O-],0.0
NC(=O)[C@H]1CC[N@H+](CCOc2ccc(Oc3nc4ccccc4s3)cc2)CC1,0.0
c1ccc2[nH]c(Oc3ccc(OCCC[NH+]4CCCCC4)cc3)nc2c1,0.0
c1ccc(Cc2ccc(OCCc3ccncc3)cc2)cc1,0.0
O[C@H]1CC[N@H+](CCOc2ccc(Oc3nc4ccccc4o3)cc2)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
c1ccc2oc(Oc3ccc(OCC[NH+]4CCCCCC4)cc3)nc2c1,0.0
O=C([O-])c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](Nc2ccc(Cc4ccccc4)cc2)C3)cc1,0.0
c1ccc(COc2ccc(OCC[NH+]3CCCC3)cc2)cc1,0.0
c1ccc(CNc2ccc(OCC[NH+]3CCCC3)cc2)cc1,0.0
Nc1nccc(Nc2ccc3[nH]nc(-c4ccc5ccccc5c4)c3c2)n1,0.0
Nc1nccc(Nc2cc(-c3ccc4ccccc4c3)c3[nH]ncc3c2)n1,0.0
Nc1nccc(Nc2ccc3[nH]nc(-c4cc5ccccc5s4)c3c2)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
C[C@@H](/N=C1\C(=O)C(=O)[C@H]1Nc1cc[nH+]cc1)c1cccc(O)c1,0.0
C[C@@H]1CNC(=O)c2cc3ccc(C(=O)Nc4nc(C(=O)N[C@H]5CC[N@H+](CC(C)(C)C)CC5)cs4)cc3n21,0.0
Nc1nn(-c2cccc(-c3ccc4cc[nH]c4c3)c2)cc1-c1ccc2c(c1)CCNC2=O,0.0
Nc1nn(-c2cccc(-c3ccc4nc[nH]c4c3)c2)cc1-c1ccc2c(c1)CCNC2=O,0.0
C[C@H]1CNc2c(sc3ccc4nc(Cl)ccc4c23)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]1CNc2c(sc3ccc4ncccc4c23)C(=O)N1,0.0
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(-c3cccc(O)c3)c2)cc1-c1ccc2c(c1)CCNC2=O,0.0
O=C(NC1CCCCC1)c1ccc(-c2cc(-c3cc4c([nH]3)CCNC4=O)ccn2)cc1,0.0
O=C(NCCc1ccccc1)c1ccc(-c2cc(-c3cc4c([nH]3)CCNC4=O)ccn2)cc1,0.0
COc1cccc(-c2cccc(-n3cc(-c4ccc5c(c4)CCNC5=O)c(N)n3)c2)c1,0.0
O=C1NCCc2[nH]c(-c3ccnc(Cl)c3)cc21,0.0
O=C1NCCc2[nH]c(-c3ccnc(-c4cccnc4)c3)cc21,0.0
O=C(NC1CCCC1)c1ccc(-c2cc(-c3cc4c([nH]3)CCNC4=O)ccn2)cc1,0.0
Nc1ncc2c(n1)c(-c1cc(-c3cc4ccccc4s3)c3[nH]ncc3c1)cn2CCC(=O)[O-],0.0
C[C@@H]1CNC(=O)c2[nH]c3ccc(C(=O)Nc4nc(C(=O)N[C@H]5CC[N@H+](C)CC5)cs4)cc3c21,0.0
O=C(NCc1ccccc1)c1ccc(-c2cc(-c3cc4c([nH]3)CCNC4=O)ccn2)cc1,0.0
C[C@H]1CNc2c(sc3ccc4c(c23)CCO4)C(=O)N1,0.0
C[C@@H]1CNC(=O)c2[nH]c3ccc(C(=O)Nc4nc(C(=O)NC5CCCCC5)cs4)cc3c21,0.0
O=C1NCCc2[nH]c(-c3ccnc(-c4ccncc4)c3)cc21,0.0
O=C1N=CN=C2N=C([C-]3C=CNC(/C=C/c4ccc(CN5CCOCC5)cc4)=C3)C=C12,0.0
CC1(C)CNC(=O)c2cc3ccc(C(=O)Nc4nc(C(=O)NC5CCCCC5)cs4)cc3n21,0.0
O=C1NCCc2[nH]c(-c3ccnc(-c4cncnc4)c3)cc21,0.0
C[C@@H]1CNC(=O)c2[nH]c3ccc(C(=O)Nc4nc(C(=O)NCCC(N)=O)cs4)cc3c21,0.0
C[N@H+]1CC[C@H](NC(=O)c2csc(NC(=O)c3ccc4cc5n(c4c3)C3(CCC3)CNC5=O)n2)CC1,0.0
COc1ccc2sc3c(c2c1)NC[C@@H](C[NH2+]Cc1ccccc1)NC3=O,0.0
[NH3+]C[C@H]1Cc2c([nH]c3ccc(C(=O)Nc4cccnc4)cc23)C(=O)N1,0.0
C[C@@H]1CNC(=O)c2cc3ccc(C(=O)Nc4nc(C(=O)NC5CCCCC5)cs4)cc3n21,0.0
CC(C)(C)C[N@H+]1CC[C@H](NC(=O)c2csc(NC(=O)c3ccc4cc5n(c4c3)C(C)(C)CNC5=O)n2)CC1,0.0
C[C@H]1CNc2c(sc3ccc4nc(-c5ccccc5F)ccc4c23)C(=O)N1,0.0
C[C@@H]1CNC(=O)c2cc3ccc(C(=O)Nc4nc(C(=O)NC5CCOCC5)cs4)cc3n21,0.0
O=C1NCCc2[nH]c(-c3ccnc(-c4ccc5ccccc5c4)c3)cc21,0.0
O=C1NCCc2[nH]c(-c3ccncc3)cc21,0.0
O=C1NCCc2[nH]c(-c3ccnc(-c4ccsc4)c3)cc21,0.0
Cc1c([N-]S(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccccc1,0.0
CC(C)(C[C@](O)(CC1CCCCC1)C(=O)Nc1ccc2c(c1)COC2=O)c1cc(F)ccc1O,0.0
COc1ccc(F)cc1C(C)(C)C[C@@](O)(CNc1ccc2c(c1)COC2=O)Cc1ccccc1,0.0
CC(C)(C[C@](O)(CC1CCCCC1)C(=O)Nc1ccc2c(c1)COC2=O)c1ccccc1,0.0
CC(C)(C[C@](O)(Cc1ccccc1)C(=O)Nc1ccc2c(c1)COC2=O)c1ccccc1,0.0
CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1C)Oc1ccccc1-3,0.0
CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccncc1C)Oc1ccc(F)cc1-3,0.0
COc1ccc(F)cc1C(C)(C)C[C@](O)(Cn1cnc2ccccc21)C(F)(F)F,0.0
COc1cccc2c1-c1ccc([N-]S(C)(=O)=O)cc1[C@@H](c1cccc(C)c1)O2,0.0
C=CC[C@H]1Oc2cccc(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,0.0
COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1cccc(C)c1F)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
CC(C)(C[C@](O)(C(=O)Nc1ccc2c(c1)COC2=O)C(F)(F)F)c1cc(F)ccc1O,0.0
Cc1cc(C)c(S(=O)(=O)N[C@H](C)Cc2c[nH]c3ccccc23)c(C)c1,0.0
Cc1cc(-c2cccc3cc[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(-c2ccc(F)c3cc[nH]c23)c(Cl)c2c1NC(C)(C)C[C@@H]2C,0.0
C[C@@](c1ccc(F)cc1)(c1c[nH]c2c([N-]S(C)(=O)=O)cccc12)C1CC1,0.0
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
CC(C)(C[C@@](C)(O)C(=O)Nc1ccc2c(c1)COC2=O)c1ccccc1,0.0
CC(C)(C)c1ccc(C[C@](O)(CC(C)(C)c2ccccc2)C(=O)Nc2ccc3c(c2)COC3=O)cc1,0.0
C[C@@](c1ccc(F)cc1F)(c1c[nH]c2c([N-]S(C)(=O)=O)cccc12)C1CC1,0.0
COc1ccc(F)cc1C(C)(C)C[C@](O)(CN1CCC(=O)c2ccccc21)C(F)(F)F,0.0
Cn1c(C#N)ccc1-c1ccc2c(c1)[C@](C)(c1ccco1)OCC(=O)N2,0.0
COc1ccc(F)cc1C(C)(C)C[C@](O)(Cn1ccc(=O)c2cnccc21)C(F)(F)F,0.0
CS(=O)(=O)[N-]c1ccc2c(c1)[C@@H](c1ccccc1)Oc1cccc(OC(F)F)c1-2,0.0
COc1ccc(F)cc1C(C)(C)C[C@](O)(CN1CCOc2ccccc21)C(F)(F)F,0.0
COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1sccc1/C(C)=N/O)O2)C(C)=CC(C)(C)N3,0.0
COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cn1cc(C)[nH+]c1C)C(F)(F)F,0.0
Cn1c(C#N)ccc1-c1ccc2c(c1)[C@](C)(c1ccsc1)OCC(=O)N2,0.0
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
COc1ccc(F)cc1C(C)(C)C[C@](O)(Cn1ccc(=O)c2ccccc21)C(F)(F)F,0.0
Cc1noc(=O)c2ccc(NC(=O)[C@](O)(Cc3ccccc3)CC(C)(C)c3cc(F)ccc3O)cc12,0.0
C=CCO[C@H](C)C1=CC(C)(C)Nc2ccc(-c3cc(F)ccc3OC)cc21,0.0
CC1(C)CCC[C@]2(C)c3cc4c(C(F)(F)F)cc(=O)[nH]c4cc3N[C@H]12,0.0
N#Cc1ccc(N2N=C3c4ccc(C(=O)[O-])cc4CC[C@@H]3[C@@H]2C2CCCC2)cc1OCc1ccccc1,0.0
Cc1noc(=O)c2ccc(NC(=O)[C@](O)(CC(C)(C)c3cc(F)ccc3O)C(F)(F)F)cc12,0.0
COc1ccc(F)cc1C(C)(C)C[C@@](O)(CN1C[C@@H](C)O[C@@H](C)C1)C(F)(F)F,0.0
N#Cc1ccc(N2N=C3c4ccc(C(=O)[O-])cc4CC[C@@H]3[C@@H]2c2ccc(F)cc2)cc1Cl,0.0
CC1=CC(C)(C)Nc2ccc3c(c21)C(=C1SCCCS1)Oc1ccc(F)cc1-3,0.0
Cc1cc(N2N=C3c4ccc(C(=O)[O-])cc4CC[C@@H]3[C@@H]2C2CCCC2)ccc1C#N,0.0
O=c1cc2oc3cc(O)c(O)cc3c(-c3cccc(Cl)c3Cl)c-2cc1O,0.0
Oc1ccc(C[C@@]2(O)COc3c(ccc(O)c3O)[C@H]2O)cc1O,0.0
O=C1c2ccc(O)c(O)c2OC[C@]1(O)Cc1ccc(O)c(O)c1,0.0
C[NH+]1CCN(c2cnc3cc(C(F)(F)F)cc(OCc4cccc([N+](=O)[O-])c4)c3n2)CC1,0.0
C[NH+]1CCN(c2cnc3cc(C(F)(F)F)cc(-c4ccc5c(c4)CC(=O)N5)c3n2)CC1,0.0
Oc1ccc(CC2=Cc3ccc(O)c(O)c3OC2)cc1O,0.0
C[NH+]1CCN(c2cnc3cc(C(F)(F)F)cc(NCc4cccc5nonc45)c3n2)CC1,0.0
C[NH+]1CCN(c2cnc3cc(C(F)(F)F)cc(NCc4ccc5nonc5c4)c3n2)CC1,0.0
C[NH+]1CCN(c2cnc3cc(C(F)(F)F)cc(NCc4cccc([N+](=O)[O-])c4)c3n2)CC1,0.0
Oc1ccc(Cc2nnc3ncc(-c4ccccc4)cn23)cc1,0.0
Oc1ccc(Cc2nnc3ncc(-c4ccccc4)nn23)cc1,0.0
Oc1cc2c(cc1O)[C@@H]1c3ccc(O)c(O)c3OC[C@]1(O)C2,0.0
CNC(=O)c1ccc(-c2ccc3nnc(Cc4ccc(O)cc4)n3n2)cc1Cl,0.0
C[NH+]1CCN(c2cnc3cc(C(F)(F)F)cc(-c4ccc5[nH]c(=O)[nH]c5c4)c3n2)CC1,0.0
Cc1cc(-c2ccc3nnc(Cc4ccc(O)cc4)n3n2)sn1,0.0
Cc1csc(-c2ccc3nnc(Cc4ccc(O)cc4)n3n2)c1,0.0
Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=O)c1c(F)cccc1F,0.0
O=C(Cc1ccc(F)cc1)NC(=O)Nc1ccc(Oc2ccnc3[nH]c(-c4cccnc4)cc23)c(F)c1,0.0
Oc1ccc(Cc2nnc3ccc(-c4ccco4)nn23)cc1,0.0
C[NH+]1CCN(c2cnc3cc(C(F)(F)F)cc(-c4ccc(O)cc4)c3n2)CC1,0.0
Nc1cnc2ccn(S(=O)(=O)c3c(Cl)nc4sccn34)c2c1,0.0
[NH3+]C1CCC(=Cc2ccn3ncnc(Oc4ccc(NC(=O)NC(=O)Cc5ccc(F)cc5)cc4F)c23)CC1,0.0
C[NH+]1CCN(c2cnc3cc(C(F)(F)F)cc(-c4ccccc4)c3c2)CC1,0.0
[NH3+][C@@H]1CCN(Cc2ccn3ncnc(Oc4ccc(NC(=O)NC(=O)Cc5ccc(F)cc5)cc4F)c23)C[C@H]1O,0.0
COc1ccc2c(OCc3nnc4ccc(-c5cc(C)ns5)nn34)ccnc2c1,0.0
O=C(Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1)c1cccc(-c2ccccc2)[n+]1[O-],0.0
Nc1nccc(Oc2ccc(NC(=O)NC(=O)Cc3ccc(F)cc3)cc2F)c1C#Cc1ccccn1,0.0
Nc1nc(-c2c[nH]c3nccc(Oc4ccc(NC(=O)NC(=O)Cc5ccc(F)cc5)cc4F)c23)cs1,0.0
O=C(Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1)c1cccn(-c2cccnc2)c1=O,0.0
O=C(Cc1ccc(F)cc1)NC(=O)Nc1ccc(Oc2ncnn3ccc(CN4CC[NH2+]CC4)c23)c(F)c1,0.0
O=C(Cc1ccc(F)cc1)NC(=O)Nc1ccc(Oc2ccnc3[nH]cc(-c4cccnc4)c23)c(F)c1,0.0
Cc1c(OCCN2CC[NH+](C)CC2)cn2ncnc(Oc3ccc(NC(=O)NC(=O)Cc4ccc(F)cc4)cc3F)c12,0.0
O=C(Cc1ccc(F)cc1)NC(=O)Nc1ccc(Oc2ccnc3[nH]cc(C(=O)NCc4cccnc4)c23)c(F)c1,0.0
[NH3+][C@H]1CCN(Cc2ccn3ncnc(Oc4ccc(NC(=O)NC(=O)Cc5ccc(F)cc5)cc4F)c23)C1,0.0
O=C(Cc1ccc(F)cc1)NC(=O)Nc1ccc(Oc2ccnc3[nH]cc(C(=O)C[N@@H+]4CC[C@@H](O)C4)c23)c(F)c1,0.0
O=C(Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1)c1cccn(-c2ccc(F)cc2)c1=O,0.0
CC(=O)N1CCN(c2cnc3ccn(S(=O)(=O)c4cccc5nonc45)c3c2)CC1,0.0
N#Cc1ccc2[nH]c(-c3cncnc3)c(-c3ccc(F)cc3)c2n1,0.0
O=C(Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1)c1cccc(-c2ccccc2)n1,0.0
O=C(Cc1ccc(F)cc1)NC(=O)Nc1ccc(Oc2ncnn3ccc(-c4ccccc4)c23)c(F)c1,0.0
Nc1n[nH]c2nnc(-c3c(-c4ccccc4)nn4ccccc34)cc12,0.0
O=C(c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1)N1CCCC1,0.0
O=C(NCCc1cccnc1)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1,0.0
O=C(NC[C@@H]1CCCO1)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1,0.0
O=C(c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1)N1CCOCC1,0.0
CNC(=O)Nc1ccc(CNc2ncsc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)cn1,0.0
O=C(NCc1ccc(F)c(F)c1)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1,0.0
CCNC(=O)Nc1ccc(CNc2ncsc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)cn1,0.0
Cc1cnc(Nc2cccc3c2CCC3)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c1,0.0
CCN(C)C(=O)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1,0.0
Nc1nccc(-c2cc3c([nH]2)[C@@H](CCF)CNC3=O)n1,0.0
COc1ccc(CNC(=O)c2cc(-c3[nH]ncc3-c3cccc(Cl)c3)c[nH]2)cc1,0.0
O=C(NCc1ccccc1)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1,0.0
Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4ccccc4)c3)cc12,0.0
[NH3+][C@H](COc1cncc(-c2ccc3cnccc3c2)c1)Cc1c[nH]c2ccccc12,0.0
O=C(NCc1cccnc1)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(Nc2cccc3c2OCO3)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
Cc1ccccc1Nc1ncc(C)c(-c2c[nH]c(C(=O)N[C@H](CO)c3cccc(Cl)c3)c2)n1,0.0
Cc1cnc(Nc2cccc(C)c2C)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
Cc1cnc(Nc2cccc3c2OC(F)(F)O3)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c1,0.0
Cc1cnc(Nc2cccc3c2CCCC3)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)c3ccccc3)c2)n1,0.0
Cc1cccc([C@@H](CO)NC(=O)c2cc(-c3nc(Nc4ccccc4)ncc3C)c[nH]2)c1,0.0
Cc1cnc(Nc2ccccc2)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c1,0.0
O=C(NOCc1ccccc1)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1,0.0
[H]/N=C1/N=C([O-])/C(=C2/CCNC(=O)c3[nH]c(Br)cc32)N1,0.0
Cc1cnc(Nc2cccc(F)c2C)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(Nc2ccccc2O)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2ccccc2)c1,0.0
O=C(N[C@H](CO)c1cccc(F)c1)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1,0.0
Cc1cnc(Nc2ccc(Cl)cc2F)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c1,0.0
CCc1ccccc1Nc1ncc(C)c(-c2c[nH]c(C(=O)N[C@H](CO)c3cccc(Cl)c3)c2)n1,0.0
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)c2ccccc2)c1,0.0
[H]/N=C1/N=C([O-])/C(=C2\CCNC(=O)c3[nH]ccc32)N1,0.0
Cc1cc(Cl)ccc1Nc1ncc(C)c(-c2c[nH]c(C(=O)N[C@H](CO)c3cccc(Cl)c3)c2)n1,0.0
Cc1cnc(Nc2ccccc2F)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2ccccc2)c1,0.0
[NH3+]Cc1ccc(-c2cnc3[nH]cc(-c4cccc(NC(=O)Nc5ccc(C(F)(F)F)cc5F)c4)c3c2)cc1,0.0
c1ccc(-c2noc(C[NH+]3CCCCC3)c2-c2ccnc(NC3CCCCC3)n2)cc1,0.0
Cc1ccc2c(c1)N(Cc1cc(F)cc3c1OCOC3)C(=O)/C2=N\O,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
N#C/C(=C1/Nc2ccccc2S1)c1ccnc(NCCc2ccccn2)n1,0.0
N#C/C(=C1/Nc2ccccc2S1)c1ccnc(NCc2cccnc2)n1,0.0
N#C/C(=C1/Nc2ccccc2S1)c1ccnc(NCc2ccncc2)n1,0.0
N#C/C(=C1/Nc2ccccc2S1)c1ccnc(NCc2ccccn2)n1,0.0
O=C1c2ccccc2C2=NNC3=CC=C[C@@H]1[C@H]32,0.0
CC1CCN(C(=O)N2CCC(Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)CC2)CC1,0.0
N#C[C@H](c1ccnc(NCCc2cccnc2)n1)c1nc2ccccc2s1,0.0
N#C[C@H](c1ccnc(NCCc2c[nH]c[nH+]2)n1)c1nc2ccccc2s1,0.0
N#C/C(=C1/Nc2ccccc2S1)c1ccnc(NCCn2ccc3ccccc32)n1,0.0
O=C(NCc1ccccc1)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1,0.0
CC(C)c1onc(-c2ccc(F)cc2)c1-c1ccncc1,0.0
CN(c1nccc(-c2cnc3ccccn23)n1)C1CCCCC1,0.0
O=C(NC1CC[NH2+]CC1)c1cccc(-c2[nH]nc3cc(Nc4ccccc4Cl)ccc23)c1,0.0
N#C/C(=C1/Nc2ccccc2S1)c1ccnc(NCCc2cccnc2)n1,0.0
COc1ccc(CCNc2nccc(/C(C#N)=C3\Nc4ccccc4S3)n2)cc1,0.0
COc1cc(CN2C(=O)/C(=N\O)c3cc(F)ccc32)cc(OC)c1,0.0
O=C(Nc1cc(-c2ccnc(Nc3ccccc3)c2)ccn1)c1ccco1,0.0
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1ccc2nc(NCCN3CCOCC3)ncc2c1,0.0
N#C/C(=C1/Nc2ccccc2S1)c1ccnc(NCCCn2cc[nH+]c2)n1,0.0
Cn1c[nH+]cc1CCNc1nccc(/C(C#N)=C2\Nc3ccccc3S2)n1,0.0
O=C(Nc1cc(-c2ccnc(Nc3ccccc3)c2)ccn1)c1cccnc1,0.0
O=C1/C(=N\O)c2c(/C=C/c3ccccc3)cccc2N1Cc1cc(F)cc2c1OCOC2,0.0
CS(=O)(=O)[N-]c1ccc(-c2ccnc(Nc3ccc(S(N)(=O)=O)cc3)n2)cc1,0.0
CNC(=O)C[N@@H+]1CCC[C@@H](Nc2ncc(Cl)c(-c3c[nH]c4ccccc34)n2)C1,0.0
O=C(Nc1cc(-c2ccnc(Nc3ccc(F)cc3)c2)ccn1)C1CCOCC1,0.0
Nc1nccc(-c2[nH]c(C3CC[NH2+]CC3)nc2-c2cccc(C(F)(F)F)c2)n1,0.0
Nc1nccc(-c2[nH]c(-c3ccccc3)nc2-c2ccccc2)n1,0.0
FC(F)(F)c1cccc(-c2n[nH]cc2-c2ccnc3ccccc23)c1,0.0
CC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(-c2ccc3ccccc3c2)n1,0.0
OC1(c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)CCCC1,0.0
C[C@H](Nc1cc(-c2c(-c3cccc(C(F)(F)F)c3)nc(C3CC[NH2+]CC3)n2C)ccn1)c1ccccc1,0.0
Nc1ccc2c(-c3ccncc3)c(-c3cccc(Cl)c3)[nH]c2n1,0.0
Cn1cnc2c(N(C(N)=O)c3c(F)cccc3F)nc(-c3ccc(F)cc3F)nc21,0.0
C[C@H](Nc1cc(-c2c(-c3ccccc3)nc3nc(N)ccn23)ccn1)c1ccccc1,0.0
OC1(c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)CCCCCC1,0.0
Cc1cc(C(=O)NCCN2CCOCC2)ccc1-c1c(N)c(C(=O)c2ccc(F)cc2F)cc[n+]1[O-],0.0
Fc1ccc(-c2[nH]c(C3CCCCC3)nc2-c2ccncc2)cc1,0.0
Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccccc2)c1,0.0
O[C@H]1CC[C@H](n2cnc(-c3ccc(F)cc3)c2-c2ccnc(Nc3ccccc3)n2)CC1,0.0
Cc1cccc(-c2[nH]ncc2-c2ccnc3ccccc23)n1,0.0
C[C@H](Nc1nccc(-c2c(-c3ccccc3)nc3nc(N)ccn23)n1)c1ccccc1,0.0
Fc1ccc(-c2c(-c3ccncc3)oc3cccnc23)cc1,0.0
CCN(C(=O)c1ccc2occc2c1)c1ccnc(N[C@@H](C)c2ccccc2)n1,0.0
CCN(C(=O)c1ccc2c(c1)CCC2)c1ccnc(N[C@@H](C)c2ccccc2)n1,0.0
Fc1ccc(-c2[nH]c(-c3c(F)c(F)nc(F)c3F)nc2-c2ccncc2)cc1,0.0
Fc1ccc(-c2ncn(C3CC[NH2+]CC3)c2-c2ccnc(Nc3ccccc3)n2)cc1,0.0
Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(-c3ccccc3F)nncc2c1,0.0
CNC(=O)c1ccc(C)c(Nc2nc(N3CCCC3)nc3c2cnn3-c2ccccc2)c1,0.0
Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2nc(N)[nH]c(=O)c2c1,0.0
Cc1ccc(C(=O)NC2CC2)cc1-c1ccc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1,0.0
CC(C)Nc1cc(-c2[nH]c(SCCO)nc2-c2ccc(F)cc2)ccn1,0.0
O=c1c(-c2ccc(F)cc2)c(-c2ccnc(NC3CC3)n2)n2n1CCC2,0.0
CNC(=O)c1ccc(C)c(Nc2ncnc3c2cnn3C(C)(C)C)c1,0.0
CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(N[C@H](C)CCc3ccccc3)c2)[nH]1,0.0
Fc1ccc(-c2[nH]c([C@@H]3CCC[NH2+]C3)nc2-c2ccncc2)cc1,0.0
Cc1ccc(C(=O)NC2CC2)cc1-c1ccc(C(=O)NCC2CC2)cc1,0.0
CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)CCc3ccccc3)c2)s1,0.0
CNc1ncc2cc(-c3cc(NC(=O)Nc4cccc(C(F)(F)F)c4)ccc3C)ccc2n1,0.0
Fc1ccc(-c2c(-c3ccncc3)[nH]c3nccnc23)cc1,0.0
OC1(c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)CC1,0.0
O=C(NO)[C@@H](CCn1c(=O)[nH]c2ccccc2c1=O)COc1ccc(-c2ccccc2)cc1,0.0
O=C(NO)[C@@H](CCn1ncc2ccccc2c1=O)COc1ccc(-c2ccccc2)cc1,0.0
O=C(NO)[C@@H](CCN1C(=O)c2ccccc2C1=O)COc1ccc(-c2ccccc2)cc1,0.0
COc1ccc(S(=O)(=O)[C@@](C)(Cc2ccc3ccccc3c2)C(=O)NO)cc1,0.0
O=C([O-])[C@H]1[C@H](Cn2nnc3ccccc3c2=O)CC[C@@H]1S(=O)(=O)CCc1ccc(-c2ccc(Cl)cc2)cc1,0.0
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2c(C(=O)N[O-])cnc3c(C(F)(F)F)cccc23)cc1,0.0
O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc2ccccc2c1)NO,0.0
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2c(OCC(=O)NO)cccc2C(=O)NO)cc1,0.0
COc1ccc(S(=O)(=O)c2ccccc2CC(=O)NO)cc1,0.0
COc1cccc(CNC(=O)c2cccc(C(=O)NCc3ccc(C(=O)[O-])cc3)c2)c1,0.0
O=C(NO)[C@H](CCn1nnc2ccccc2c1=O)COCCc1ccc(-c2ccc(Cl)cc2)cc1,0.0
O=C(CN(Cc1ccc([N+](=O)[O-])cc1)Sc1ccccc1[N+](=O)[O-])NO,0.0
CNC(=O)[C@H](NC(=O)c1ccc(-c2cccc(CNC(=O)c3cn4ccccc4n3)c2)o1)C1CCCCC1,0.0
O=C(NO)[C@H](CCn1nnc2ccccc2c1=O)COc1ccc(-c2ccc(Cl)cc2)cc1,0.0
COc1cccc(CNC(=O)c2cc(-c3nnn(Cc4ccc(C(=O)[O-])cc4)n3)cc(C)n2)c1,0.0
CNC(=O)[C@@H](NC(=O)c1ccc(-c2cccc(CNC(=O)c3ccnc(C(F)(F)F)n3)c2)o1)C1CC1,0.0
C=C1C[C@H](C(=O)NO)N(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)C1,0.0
CNC(=O)[C@H](NC(=O)c1ccc(-c2cccc(CNC(=O)c3ccc(C)o3)c2)o1)C1CCCCC1,0.0
COc1ccc(S(=O)(=O)N(Cc2cccnc2)c2c(C(=O)NO)cnc3c2c(C)nn3C)cc1,0.0
CNC(=O)[C@H](NC(=O)c1ccc(-c2cccc(CNC(=O)c3ccnc(Cl)n3)c2)o1)C1CCCCC1,0.0
COc1ccc(S(=O)(=O)N2CN(C(C)(C)C)C(=O)C[C@@H]2C(=O)NO)cc1,0.0
O=C(CN(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)c(Cl)c1)NO,0.0
COc1ccc(S(=O)(=O)N(C)c2c(Cn3ccnc3)cccc2C(=O)NO)cc1,0.0
CNC(=O)[C@H](NC(=O)c1ccc(-c2cccc(CNC(=O)c3ccn(C)n3)c2)o1)C1CCCCC1,0.0
COc1ccc(S(=O)(=O)N2CN(Cc3ccccc3)C(=O)C[C@@H]2C(=O)NO)cc1,0.0
CCc1cncc(C(=O)NCc2cccc(-c3ccc(C(=O)N[C@@H](C(=O)NC)C4CCCCC4)o3)c2)c1,0.0
CNC(=O)[C@@H](NC(=O)[C@H](CCc1ccccc1)C[P@](=O)([O-])Cc1ccccc1)C(C)(C)C,0.0
O=C(NO)C1(NS(=O)(=O)c2ccc(Oc3ccc(F)cc3)cc2)CCCC1,0.0
O=C1N=C([O-])[C@]2(CCC(=O)N2c2ccc(Oc3ccc(Oc4ccccc4)cc3)cc2)C(=O)N1,0.0
O=C(CN(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc2ccccc12)NO,0.0
COc1ccc(S(=O)(=O)NC2(C(=O)NO)CCCC2)cc1,0.0
CCOCC[C@@]1(Oc2ccc(Oc3ccc(-c4nnc(-c5ccccc5)o4)cc3)cc2)C(=O)NC(=O)N=C1[O-],0.0
CC(C)(C)c1nc2c3cc[nH]c(=O)c3c3cc(F)ccc3c2[nH]1,0.0
N#C/C(=C(/N)Sc1ccccc1N)c1cccc(C(=O)c2ccccc2)c1,0.0
N/C(=[NH+]\CC1CCCCC1)c1c(Nc2ccc(Cl)cc2Cl)s[nH]c1=O,0.0
C[C@@H](O)c1cccc(/C(C#N)=C(\N)Sc2ccccc2N)c1,0.0
N#C/C(=C(/N)Sc1ccccc1N)c1cccc(Oc2ccccc2)c1,0.0
N#C/C(=C(/N)Sc1ccccc1N)c1cccc([C@@H](O)c2ccncc2)c1,0.0
O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl,0.0
CC(=O)n1cc(Nc2ccc(I)cc2F)c(C(=O)NOCCO)c1,0.0
Cc1c(Cc2ccccc2)c(=O)oc2cc(OC(=O)C3CC3)ccc12,0.0
N#C/C(=C(/N)Sc1ccccc1N)c1cccc([C@@H](O)c2cccnc2)c1,0.0
Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)nc12,0.0
[H]/N=C1/N=C([O-])/C(=C2\CCNC(=O)c3[nH]c(Br)cc32)N1,0.0
Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NC[C@@H](O)CN1CCOCC1,0.0
N#C/C(=C(/N)Sc1ccccc1N)c1cccc([C@H](O)Cc2ccccc2)c1,0.0
Cc1ccc(NC(=O)c2ccnc(N3CCCC3)c2)cc1-c1ccc2c(C3CC[NH2+]CC3)noc2c1,0.0
COc1cc(Nc2c(C#N)cnc3cc(-c4ccc(CN5CCOCC5)cc4)ccc23)c(Cl)cc1Cl,0.0
Cn1cc(C(N)=O)c(Nc2ccc(I)cc2F)cc1=O,0.0
N#C/C(=C(/N)Sc1ccccc1N)c1cccc([C@@H](O)c2ccoc2)c1,0.0
N/C(=[NH+]\C[C@@H]1CCCO1)c1c(Nc2ccc(Oc3cc(Cl)ccc3Cl)cc2)s[nH]c1=O,0.0
O=C(NOCCO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F,0.0
C[NH+]1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1,0.0
[H]/N=C1/N=C([O-])/C(=C2/CCNC(=O)c3[nH]c(Br)cc32)N1,0.0
N/C(=[NH+]\CCCN1CCOCC1)c1c(Nc2ccc(Oc3cc(Cl)ccc3Cl)cc2)s[nH]c1=O,0.0
C[C@@H]1CNC(=O)c2[nH]c3ccc(C(=O)Nc4nc(C(=O)NCC[NH+](C)C)cs4)cc3c21,0.0
N#C/C(=C(/N)Sc1ccccc1N)c1ccc(C(=O)c2ccccc2)cc1,0.0
N#C/C(=C(/N)Sc1ccccc1N)c1cccc([C@H](O)c2ccc3ccccc3c2)c1,0.0
CC(=O)c1cc(C(=O)NOC[C@@H](O)CO)c(Nc2ccc(I)cc2F)n1C,0.0
N/C(=[NH+]\CCN1CCOCC1)c1c(Nc2ccc(Oc3cc(Cl)ccc3Cl)cc2)s[nH]c1=O,0.0
N/C(=[NH+]\CCN1CCNCC1)c1c(Nc2ccc(Oc3cc(Cl)ccc3Cl)cc2)s[nH]c1=O,0.0
COc1cc2ncc(C#N)c(Nc3cccc(Oc4ccccc4)c3)c2cc1OC,0.0
N#Cc1cnc2cnc(NCCN3CCOCC3)cc2c1Nc1ccc(Cc2ccccc2)cc1,0.0
COc1ccccc1Oc1ccc(Nc2c(C#N)cnn3cc(NC(=O)NCCN4CCOCC4)c(C)c23)cc1,0.0
N#C/C(=C(/N)Sc1ccccc1N)c1ccc(Oc2ccccc2)cc1,0.0
CC(=O)c1cc(C(=O)N2CC[C@@H](O)C2)c(Nc2ccc(I)cc2F)n1C,0.0
N#C/C(=C(/N)Sc1ccccc1N)c1cccc([C@H](O)c2cccc3ccccc23)c1,0.0
N#C/C(=C(/N)Sc1ccccc1N)c1cccc([C@@H](O)c2ccco2)c1,0.0
Nc1cccc(-c2ccc(OCC[NH+]3CCCC3)c3ccccc23)[nH+]1,0.0
C[NH+](C)CCOc1ccc(-c2cccc(N)[nH+]2)c2ccccc12,0.0
[NH2+]=C1Nc2cc(C[NH2+]Cc3cccc(Cl)c3)ccc2[C@H]2CCC[C@@H]12,0.0
C[NH+](C)CCOc1ccc(-c2cccc(N)[nH+]2)c2c1CCCC2,0.0
[NH2+]=C1Nc2cc(CCC[NH2+]Cc3cccc(Cl)c3)ccc2[C@H]2CCC[C@@H]12,0.0
C[NH+](C)CCOc1ccc(-c2cccc(N)[nH+]2)c2c1CCCCC2,0.0
C[NH+](C)CCOc1ccc(-c2cccc(N)[nH+]2)c2c1CCC2,0.0
Nc1cccc(-c2ccc(OCC[NH+]3CCCC3)c3c2CCCC3)[nH+]1,0.0
Nc1cccc(-c2ccc(OCC[NH+]3CCCC3)c3c2CCC3)[nH+]1,0.0
Cc1cc(N)[nH+]c(C[C@H]2C[NH2+]C[C@H]2NCCOCCc2cccc(F)c2)c1,0.0
Cc1cc(N)[nH+]c(C[C@H]2C[NH2+]C[C@H]2NCC[NH2+]Cc2ccc(Cl)cc2)c1,0.0
C[NH+]1CCN(CCOc2ccc(-c3cccc(N)[nH+]3)c3ccccc23)CC1,0.0
C[N@@H+]1CCC[C@@H]1COc1ccc(-c2cccc(N)[nH+]2)c2ccccc12,0.0
Cc1cc(C[C@H]2C[NH2+]C[C@H]2NCC[NH2+]CCc2cccc(F)c2)cc(N)[nH+]1,0.0
[NH2+]=C(Nc1ccc(CCNCc2cccc(Cl)c2)cc1)c1cccs1,0.0
C[NH+](C)CCOc1ccc(-c2cccc(N)[nH+]2)c2c1[C@@H]1CC[C@H]2C1,0.0
Nc1cccc(-c2ccc(CC[NH+]3CCN(c4cccc5cccnc45)CC3)cc2)[nH+]1,0.0
CN(Cc1cc(Cl)ccc1C#N)[C@@H]1CCC[NH2+]C1,0.0
C[NH+]1CCN(CCOc2ccc(-c3cccc(N)[nH+]3)c3c2CCCC3)CC1,0.0
Cc1cc(N)[nH+]c(C[C@@H]2C[NH2+]C[C@@H]2OCC[NH2+]CCOc2cccc(F)c2)c1,0.0
C[N@@H+]1CC[C@@H](Oc2ccc(-c3cccc(N)[nH+]3)c3ccccc23)C1,0.0
C[NH+](C)C1CCN(CCOc2ccc(-c3cccc(N)[nH+]3)c3ccccc23)CC1,0.0
Nc1cccc(-c2ccc(CCN3CC[NH+](CCc4ccccc4)CC3)cc2)[nH+]1,0.0
Nc1cccc(-c2ccc(CC[NH+]3CCN(CC(=O)c4ccccc4)CC3)cc2)[nH+]1,0.0
Nc1cccc(-c2ccc(OC[C@@H]3C[C@H]4CC[N@@H+]3CC4)c3ccccc23)[nH+]1,0.0
CC(C)C[NH+]1CCN(CCc2ccc(-c3cccc(N)[nH+]3)cc2)CC1,0.0
CN(Cc1cc(Cl)ccc1C#N)[C@H]1CC[N@H+](CC2CC2)CC1,0.0
N/C(=N\c1ccc2nc(N[C@H]3CC[N@H+](Cc4ccccc4)CC3)sc2c1)c1cccs1,0.0
CN(Cc1cc(Cl)ccc1C#N)[C@H]1CC[N@H+](CCc2ccccc2)CC1,0.0
CCSC(=[NH2+])Nc1ccc(OCc2ccccc2)cc1,0.0
N/C(=N\c1ccc2sc(N[C@H]3CC[N@H+](Cc4ccccc4)CC3)nc2c1)c1cccs1,0.0
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](C(=O)N1CCCC1)[C@H]1C[C@@H](C(=O)[O-])C[C@@H]1[NH+]=C(N)N,0.0
CCN(CCc1ccccc1)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
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]([NH3+])CC(C(=O)[O-])=C[C@H]1Oc1ccccc1,0.0
CC[C@@H](CCc1ccccc1)O[C@@H]1C=C(C(=O)[O-])C[C@H]([NH3+])[C@H]1NC(C)=O,0.0
CCCN(CCc1ccccc1)C(=O)[C@@H]1OC(C(=O)[O-])=C[C@H](N)[C@H]1NC(=O)C(F)(F)F,0.0
C/C=C\[C@@H]1C[C@H](C(=O)[O-])[NH2+][C@H]1[C@@H](NC(C)=O)[C@H]1CC=CCO1,0.0
CC(=O)N[C@H]1[C@H]([N@H+](C)CCc2ccccc2)C=C(C(=O)[O-])C[C@@H]1N,0.0
CC(=O)N[C@@H]1[C@@H]([NH3+])CC(C(=O)[O-])=C[C@H]1OCCCc1ccc(-c2ccccc2)cc1,0.0
CCCN(CCc1ccccc1)C(=O)[C@@H]1OC(C(O)O)=C[C@H](N)[C@H]1NC(C)=O,0.0
CC(=O)N[C@@H]1[C@@H]([NH3+])CC(C(=O)[O-])=C[C@H]1OCc1ccccc1,0.0
CCCN(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(CCc1ccccc1)C(=O)[C@@H]1OC(C(=O)[O-])=C[C@H]([NH3+])[C@H]1NC(=O)CC,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(=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](C(=O)N1CCOCC1)[C@H]1C[C@@H](C(=O)[O-])C[C@@H]1[NH+]=C(N)N,0.0
CCCN(CCc1ccccc1)C(=O)[C@@H]1OC(C(=O)[O-])=C[C@H]([NH3+])[C@H]1NC(=O)C1CC1,0.0
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
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
C/C=C\[C@@H]1C[C@H](C(=O)[O-])[NH2+][C@H]1[C@@H](NC(C)=O)[C@@H](O)CCC,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
C/C=C\[C@@H]1C[C@H](C(=O)[O-])[NH2+][C@H]1[C@@H](NC(C)=O)[C@@H]1CC=CCO1,0.0
CC[C@@H](CC1CCCCC1)O[C@@H]1C=C(C(=O)[O-])C[C@H]([NH3+])[C@H]1NC(C)=O,0.0
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
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[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]1[C@@H]([NH3+])C=C(C(=O)[O-])O[C@H]1C(=O)N1[C@H](C)CC[C@H]1C,0.0
CC(=O)N[C@@H](C(=O)N1CCC1)[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+])CC(C(=O)[O-])=C[C@H]1OC1CCCC1,0.0
CC(=O)N[C@@H](CC(C)C)[C@@H]1[NH2+][C@@H](C(=O)[O-])C[C@H]1c1ccno1,0.0
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](N)CC(C(=O)[O-])=C[C@H]1[N@H+]1CC[C@H](C)CC1,0.0
CCCN(CCCc1ccccc1)C(=O)[C@@H]1OC(C(=O)[O-])=C[C@H]([NH3+])[C@H]1NC(C)=O,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
CC(=O)N[C@@H]1[C@@H]([NH3+])C=C(C(=O)[O-])O[C@H]1C(=O)N1[C@H](C)CCN1C,0.0
C=CC[C@H](OC)[C@H](NC(C)=O)[C@@H]1[NH2+][C@@H](C(=O)[O-])C[C@H]1/C=C\C,0.0
C/C=C\[C@@H]1C[C@H](C(=O)[O-])[NH2+][C@H]1[C@@H](NC(C)=O)[C@](C)(O)CCC,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(=O)N[C@H]1[C@H]([NH+]2CCCCC2)C=C(C(=O)[O-])C[C@@H]1N,0.0
CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H]([NH3+])C1,0.0
CCN(CC)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]([NH+]2CCCC2)C=C(C(=O)[O-])C[C@@H]1N,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
Cc1c(CC(N)=O)c2cc(OCCCC(=O)[O-])ccc2n1CC1CCCCC1,0.0
Cc1c(CC(=O)NN)c2cc(-c3ccccc3)ccc2n1Cc1ccccc1,0.0
CCc1c(C(=O)C(N)=O)c2c(CC(=O)[O-])cccc2n1S(=O)(=O)c1ccccc1,0.0
COc1ccc2c(c1)c(CC(N)=O)c(C1CC1)n2Cc1ccccc1,0.0
COc1ccc2c(c1)c(CC(=O)NN)c(C1CC1)n2Cc1ccccc1,0.0
CCCCc1nc(Cl)c(C2=NO[C@@H](C(=O)Oc3ccccc3)C2)[nH]1,0.0
NC(=O)C(=O)c1c(C2CC2)n(Cc2ccccc2)c2cccc(OCC(=O)[O-])c12,0.0
CCCCCCCCNC(=O)Cn1cc(Cc2cncnc2)c(=O)nc1SCc1ccc(F)cc1,0.0
CCCCc1nc(Cl)c(C2=NO[C@@H](c3ccccc3)C2)[nH]1,0.0
NC(=O)Cc1c(Br)n(Cc2ccccc2)c2cc(Cl)c(OCCCC(=O)[O-])cc12,0.0
CCCCCCCCN(C)C(=O)Cn1cc(Cc2cnc(=O)[nH]c2)c(=O)nc1SCc1ccc(F)cc1,0.0
CCCCCCCCCCCC(=O)c1c(C(=O)[O-])n(CCOc2ccc(C(=O)[O-])cc2Cl)c2ccccc12,0.0
CCCCCCCCCCn1c(C)c(CC(N)=O)c2cc(OCCCC(=O)[O-])ccc21,0.0
O=C([O-])CC[C@@H](CSc1ccc(Cc2ccccc2)cc1)NC(=O)CCCCCCc1ccccc1,0.0
CCc1c(C(=O)C(N)=O)c2c(OCC(=O)[O-])cccc2n1Cc1ccccc1,0.0
CCc1c(CC(N)=O)c2cc(OCCC[P@@](=O)([O-])O)c(C)cc2n1Cc1ccccc1,0.0
CCCCCCCCN(C)C(=O)Cn1cc(Cc2cnc(OCC)nc2)c(=O)nc1SCc1ccc(F)cc1,0.0
CCCCCCCCCCCC(=O)c1c(C(=O)[O-])n(CCOc2ccc(C(=O)[O-])cc2C)c2ccccc12,0.0
Cc1ccccc1Cn1c(C)c(C(=O)C(N)=O)c2c(OCC(=O)[O-])cccc21,0.0
COc1ccc2c(c1)c(CC(=O)NN)c(C)n2Cc1cccc(-c2ccccc2)c1,0.0
CCc1c(CC(N)=O)c2cc(OCCC[P@@](=O)([O-])O)ccc2n1Cc1cccc(Cl)c1,0.0
NC(=O)Cc1c(C2CC2)n(Cc2ccccc2)c2ccc(OCCCC(=O)[O-])cc12,0.0
COc1ccc2c(c1)c(CC(=O)NN)c(C)n2Cc1cccc(OCc2ccccc2)c1,0.0
O=C([O-])C[C@@H](CSc1ccc(Cc2ccccc2)cc1)NC(=O)CCCCCCc1ccccc1,0.0
NC(=O)Cc1c(C2CC2)n(Cc2ccccc2)c2ccc(OCCC[P@@](=O)([O-])O)cc12,0.0
Cc1c(C(=O)C(N)=O)c2c(OCC(=O)[O-])cccc2n1Cc1ccccc1Cl,0.0
Cc1c(C(=O)C(N)=O)c2c(OCC(=O)[O-])cccc2n1Cc1c(Cl)cccc1Cl,0.0
CCCCCCCCn1c(C)c(C(=O)C(N)=O)c2c(OCC(=O)[O-])cccc21,0.0
Cc1c(C(=O)C(N)=O)c2c(OCC(=O)[O-])cc3c(c2n1Cc1ccccc1)CCCC3,0.0
Cc1c(C(=O)C(N)=O)c2c(OCC(=O)[O-])cc3c(c2n1Cc1ccccc1F)CCC3,0.0
Cc1c(C(=O)C(N)=O)c2c(OCC(=O)[O-])cc3c(c2n1Cc1cccc(F)c1)CCC3,0.0
Cc1c(C(=O)C(N)=O)c2c(OCC(=O)[O-])cccc2n1Cc1ccccc1,0.0
Cc1c(C(=O)C(N)=O)c2c(OCC(=O)[O-])cccc2n1Cc1cccc2ccccc12,0.0
CCCCc1nc(Cl)c(C2=NO[C@@H](C(=O)OC)C2)[nH]1,0.0
COC(=O)COc1cc2c(c3c1c(C(=O)C(N)=O)c(C)n3Cc1cccc(F)c1)CCC2,0.0
Cc1c(C(=O)C(N)=O)c2c(OCC(=O)[O-])cccc2n1Cc1ccc(-c2ccccc2)cc1,0.0
CCc1c(C(=O)C(N)=O)c2c(OCC(=O)[O-])cc3ccccc3c2n1Cc1ccccc1,0.0
COC(=O)COc1cc2c(c3c1c(C(=O)C(N)=O)c(C)n3Cc1ccccc1F)CCC2,0.0
COC(=O)COc1cc2c(c3c1c(C(=O)C(N)=O)c(C)n3Cc1ccccc1)CCCC2,0.0
Cc1c(C(=O)C(N)=O)c2c(OCC(=O)[O-])cc3c(c2n1Cc1ccccc1)CCC3,0.0
CCCCc1nc(Cl)c(C2=NO[C@@H](CC(=O)OC)C2)[nH]1,0.0
Cc1noc(-c2cccc(Cc3n[nH]c(=O)c4ccccc34)c2)n1,0.0
O=C1NCCc2c(C(c3ccccc3)c3ccccc3)[nH]c3cccc1c23,0.0
N#Cc1ccc2[nH]c3c4c(c5c(c3c2c1)CNC5=O)CCC4,0.0
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COCNC(=O)CCC(=O)Nc2cccc3c2CNC3=O)[C@@H](O)[C@H]1O,0.0
O=C1NCCc2c(-c3cccc4ccccc34)[nH]c3cccc1c23,0.0
O=c1[nH]c2c(c3ccccc13)Cc1cc(S(=O)(=O)NCCCN3CCOCC3)ccc1-2,0.0
O=C1NCCn2cc(/C(=N/O)c3ccccc3)c3cccc1c32,0.0
CC1CCN(C(=O)C2CCN(C(=O)c3cccc(Cc4n[nH]c(=O)c5ccccc45)c3)CC2)CC1,0.0
Nc1ncnc2c1ncn2[C@H]1O[C@H](CNC(=O)CCCCC(=O)Nc2cccc3c2CNC3=O)[C@@H](O)[C@H]1O,0.0
O=C(NCCc1ccccc1)c1ccc2c(c1)[nH]c(=O)c1cc(F)ccc12,0.0
O=c1[nH]c2c(nc3cc(S(=O)(=O)NCCCN4CCOCC4)ccn32)c2ccccc12,0.0
O=C(c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1)N1CCc2ccccc2C1,0.0
O=C1CCCN1c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1,0.0
O=C1NC[C@H]2c3c(cccc31)CCN2Cc1ccccc1,0.0
O=C1NCCn2c(-c3cccc4ccccc34)nc3cccc1c32,0.0
O=C(c1ccccc1)c1cn2c3c(cccc13)C(=O)NCC2,0.0
O=c1[nH]c(CCC[N@H+]2CCc3c([nH]c4ccccc34)C2)nc2ccccc12,0.0
O=C1c2ccccc2C(=O)N1c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1,0.0
O=C1NCCn2c(CCc3ccccc3)cc3cccc1c32,0.0
O=C(CCn1c2c(c(=O)[nH]c1=O)CSCC2)NCC(=O)c1cccc(-c2ccccc2)c1,0.0
Cc1c(Cc2ccc(F)c(C(=O)N3CCC4(CC[NH2+]4)CC3)c2)n[nH]c(=O)c1C,0.0
Cc1sc(-c2ccccc2)nc1C(=O)Nc1cccc(Cc2n[nH]c(=O)c3ccccc23)c1,0.0
O=C(c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1)N1CCOCC1,0.0
O=C(Nc1cccc(Cc2n[nH]c(=O)c3ccccc23)c1)C1CC1,0.0
O=C(c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1)N1CC[NH2+]CC1,0.0
O=C(NCCN1CCOCC1)c1ccc2c(c1)[nH]c(=O)c1cc(F)ccc12,0.0
Cc1c2c(c3c([nH]c4ccccc43)c1C)C(=O)NC2=O,0.0
C[NH2+]C1(C(=O)N2CCN(C(=O)c3cc(Cc4n[nH]c(=O)c(C)c4C)ccc3F)CC2)CC1,0.0
Nc1ncnc2c1ncn2[C@H]1O[C@H](CNC(=O)CCCC(=O)Nc2cccc3c2CNC3=O)[C@@H](O)[C@H]1O,0.0
C[C@@H]1CC(=O)N(c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)C1=O,0.0
O=C1NCCc2c(-c3ccc(F)cc3)[nH]c3cccc1c23,0.0
CN(Cc1ccccc1)C(=O)C1CCN(C(=O)c2cccc(Cc3n[nH]c(=O)c4ccccc34)c2)CC1,0.0
O=C(Nc1cccc(Cc2n[nH]c(=O)c3ccccc23)c1)C(F)(F)F,0.0
O=C(Cc1ccccc1)N1Cc2c([nH]c3ccccc3c2=O)[C@@H]1c1ccc2c(c1)OCO2,0.0
O=C(CCc1ccccc1)N1Cc2c([nH]c3ccccc3c2=O)[C@@H]1c1ccc2c(c1)OCO2,0.0
O=C(c1ccccc1)N1Cc2c([nH]c3ccccc3c2=O)[C@@H]1c1ccc2c(c1)OCO2,0.0
c1ccc(CNc2nc(-c3ccccc3)nc3ccccc23)cc1,0.0
O=C(OCc1ccccc1)N1Cc2c([nH]c3ccccc3c2=O)[C@@H]1c1ccc2c(c1)OCO2,0.0
O=C(NCc1ccccc1)N1Cc2c([nH]c3ccccc3c2=O)[C@@H]1c1ccc2c(c1)OCO2,0.0
c1ccc(CCNc2nc(-c3cccnc3)nc3ccccc23)cc1,0.0
c1ccc(CNc2nc(-c3ccncc3)nc3ccccc23)cc1,0.0
COC(=O)c1cccc(Nc2nc(-c3ccccc3)nc3ccccc23)c1,0.0
Clc1ccc2nc(-c3cccnc3)nc(NCc3ccco3)c2c1,0.0
CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NCCNc4cccc5ccccc45)ccc3OCC)nc12,0.0
C#Cc1ccc2nc(-n3ccnc3)nc(NCc3ccccc3)c2c1,0.0
c1ccc(CNc2nc(-c3cccs3)nc3ccccc23)cc1,0.0
COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(Cc4ccccc4)CN23)cc1,0.0
c1ccc2c(NCC3CCCCC3)nc(-n3ccnc3)nc2c1,0.0
O=c1c2c([nH]c3ccccc13)[C@@H](c1ccc3c(c1)CCO3)N(c1ccccn1)C2,0.0
c1ccc(CCNc2nc(-n3ccnc3)nc3ccccc23)cc1,0.0
CN1C(=O)c2nc(Cc3ccccc3)[nH]c2N2CC3(CCCC3)[NH+]=C12,0.0
c1cncc(-c2nc(NCc3cccs3)c3ccccc3n2)c1,0.0
O=c1c2c([nH]c3ccccc13)[C@H](c1ccc3c(c1)OCO3)N(S(=O)(=O)Cc1ccccc1)C2,0.0
O=c1c2c([nH]c3ccccc13)[C@@H](c1ccc3c(c1)CCO3)N(c1ncccn1)C2,0.0
CCOc1ccccc1-c1nc([O-])c2nnc(C3CCCC3)n2n1,0.0
CCOc1ccccc1-c1nc2c(nc3cccc(C)n32)c(=O)[nH]1,0.0
CCOc1ccccc1-c1nc([O-])c2onc(C3CCCC3)c2n1,0.0
CCn1ncc2c(NCc3ccc(OC)c(Cl)c3)c(C(=O)NCCCCCO)cnc21,0.0
O=C([O-])C1CCN(c2nc(NCc3ccc4c(c3)OCO4)c3cc(Cl)ccc3n2)CC1,0.0
COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(CC4CC4)CC(=O)N23)cc1,0.0
CCOc1ccccc1-c1nc([O-])c2nnn(C3CCCC3)c2n1,0.0
O=c1c2c([nH]c3ccccc13)[C@@H](c1ccc3c(c1)OCO3)N(c1ncccn1)C2,0.0
COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(CCc4ccccn4)C(=O)N23)cc1,0.0
O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc4c(c3)OCO4)N2C(=O)CN1[C@@H]1CC[N@@H+](Cc2ccccc2)C1,0.0
C=C(C)[C@H](CC=C(C)C)Cc1c(O)cc(OC)c(C(=O)/C=C/c2ccc(O)cc2O)c1O,0.0
O=c1c(NCC2CCOCC2)nc2ccc(-c3ccncc3)nc2n1CC1CCCCC1,0.0
Cc1ccc(-c2nc(C(F)(F)F)cn2-c2ccc(S(N)(=O)=O)cc2)cc1Cl,0.0
Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1,0.0
COc1ccc(C2=C(c3ccc(S(N)(=O)=O)cc3)CC3(CC3)C2)cc1,0.0
NS(=O)(=O)c1ccc(-c2oc3ccccc3c2-c2ccc(F)cc2)cc1,0.0
NS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)nc(NC3CCCCC3)n2)cc1,0.0
NS(=O)(=O)c1ccc(C2=C(c3ccc(F)cc3)c3ccccc3C2)cc1,0.0
COc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(c2)oc(=O)n3C)cc1,0.0
Cc1c(Br)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(F)cc1,0.0
CC1(C)C(=O)C(c2ccc(F)cc2)=C1c1ccc(S(C)(=O)=O)cc1,0.0
Cc1ccc(-c2ncc(Cl)cc2-c2ccc(S(N)(=O)=O)cc2)cn1,0.0
CS(=O)(=O)c1ccc(C2=C(c3ccc(Cl)c(F)c3)C(=O)CC2)cc1,0.0
CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)C23CCCC3)cc1,0.0
COc1ccc(C2=C(c3ccc(S(N)(=O)=O)cc3)CCC2)cc1,0.0
CC1(C)OC(=O)C(Oc2ccc(Cl)cc2)=C1c1ccc(S(C)(=O)=O)cc1,0.0
COc1ccc(-c2c(Cl)ncn2-c2ccc(S(C)(=O)=O)cc2)c(F)c1,0.0
Fc1ccc(-c2[nH]c(-c3ccc(F)cc3)c3c2[C@@H]2CC[C@H]3C2)cc1,0.0
CC1(C)OC(=O)C(Oc2ncc(Cl)cc2Cl)=C1c1ccc(S(C)(=O)=O)cc1,0.0
OC1(c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)CCCCCC1,0.0
FC(F)(F)c1cccc(Nc2ccccc2-c2nnc([S-])o2)c1,0.0
CS(=O)(=O)c1ccc(C2=C(c3cc4ccccc4s3)C(=O)CC2)cc1,0.0
FC(F)(F)c1cccc(Nc2ccccc2-c2nnc([S-])s2)c1,0.0
Fc1ccc(-c2[nH]c(-c3ccc(F)cc3)c3c2CCCC3)cc1,0.0
Fc1ccc(-c2[nH]c(-c3ccc(F)cc3)c3c2CCC3)cc1,0.0
c1ccc(-c2nn(-c3ccccc3)c3c2CCCC3)cc1,0.0
CS(=O)(=O)c1ccc(-n2nncc2-c2ccc(Cl)cc2)cc1,0.0
FC(F)(F)c1cccc(Nc2ncccc2-c2nnc([S-])o2)c1,0.0
CS(=O)(=O)c1ccc(C2=C(C#Cc3ccccc3)C(=O)CC2)cc1,0.0
CC[C@@]1(CC(=O)[O-])OC[C@H](Cc2ccccc2)c2c1[nH]c1ccccc21,0.0
C[C@@H](Nc1cc2c(-c3ccc4c(c3)OCO4)noc2cn1)c1ccccc1,0.0
FC(F)(F)c1ccc(Nc2nc(NCc3cccnc3)ncc2-c2nnn[n-]2)cc1,0.0
COc1cccc(Nc2nc(N[C@H](C)c3ccccc3)ncc2C#N)c1,0.0
NC(=O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1,0.0
Cc1nn(-c2cc(Cl)cc(CCC(N)=O)c2)c2cc(N[C@@H](C)c3ccccc3)ncc12,0.0
NC(=O)c1sc(-c2cnn3ccccc23)cc1OCc1ccccc1C(F)(F)F,0.0
CC(=O)N(C)c1cccc(Nc2nc(NCCc3cccs3)ncc2-c2nnn[n-]2)c1,0.0
Cc1cscc1-c1noc2cnc(N[C@H](C)c3ccccc3)cc12,0.0
C[C@H](Oc1cc(-c2cnc3ccccn23)sc1C(N)=O)c1ccccc1Cl,0.0
Cc1nn(-c2cc(Cl)cc(CCC(=O)[O-])c2)c2cc(N[C@@H](C)c3ccccc3)ncc12,0.0
Nc1nccc(-c2cc3c([nH]2)[C@@H](CCF)CNC3=O)n1,0.0
NC(=O)c1sc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[n+]1[O-],0.0
Cc1ccccc1Nc1ncc2c(n1)-c1c(c(C(N)=O)nn1C)CC2,0.0
C[C@@H](Nc1cc2c(-c3cc(Cl)cc(CCCO)c3)noc2cn1)c1ccccc1,0.0
COc1cc2ncn(-c3cc(OCCc4ccccc4)c(C(N)=O)s3)c2cc1OC,0.0
COc1ccc2c(c1)NC(=O)Cc1cnc(Nc3ccc(OC)c(O)c3)nc1-2,0.0
C[C@@H](Oc1cc(-n2cnc3cc(-c4cc[nH+]c(N5CCOCC5)c4)ccc32)sc1C(N)=O)c1ccccc1C(F)(F)F,0.0
Cn1cncc1-c1cc(OCc2ccccc2C(F)(F)F)c(C(N)=O)s1,0.0
COc1cc(Nc2ncc3c(C)nc(-c4cccc(C(F)(F)F)c4)n3n2)cc(OC)c1OC,0.0
Cn1nc(C(N)=O)c2c1-c1nc(Nc3ccccc3Oc3ccccc3)ncc1CC2,0.0
C[C@@H](Oc1cc(-n2cnc3cc(-c4cnc(N)nc4)ccc32)sc1C(N)=O)c1ccccc1C(F)(F)F,0.0
C[C@H](Oc1cc(-c2cnc3ccccn23)sc1C(N)=O)c1ccc(CO)cc1Cl,0.0
C[C@@H](Oc1cc(-n2cnc3cc(-c4ccnc(N[C@H]5CC[N@H+](C)CC5)n4)ccc32)sc1C(N)=O)c1ccccc1Cl,0.0
COc1ccc(Nc2ncc3c(n2)-c2ccc(OC)cc2NC(=O)C3)cc1,0.0
C[C@@H](Oc1cc(-n2cnc3cc(-c4ccccc4)ccc32)sc1C(N)=O)c1ccccc1C(F)(F)F,0.0
COc1cc(N2CC[NH+](C)CC2)ccc1Nc1ncc2c(n1)-c1c(c(C(N)=O)nn1C)CC2,0.0
COc1ccc(N2CC[NH+](C)CC2)cc1Nc1ncc2c(n1)-c1c(c(C(N)=O)nn1C)CC2,0.0
C[C@H](Oc1cc(-c2cnc3ccccn23)sc1C(N)=O)c1ccc(C[NH2+]C2CCCC2)cc1Cl,0.0
C[C@@H](Oc1cc(-n2cnc3ccc(-c4ccncc4)cc32)sc1C(N)=O)c1ccccc1Cl,0.0
Cn1nc(C(N)=O)c2c1-c1nc(Nc3ccccc3Nc3ccccc3)ncc1CC2,0.0
C[C@@H](Oc1cc(-n2cnc3cc(-c4ccccn4)ccc32)sc1C(N)=O)c1ccccc1C(F)(F)F,0.0
C[C@@H](Oc1cc(-n2cnc3cc(-c4cccnc4)ccc32)sc1C(N)=O)c1ccccc1C(F)(F)F,0.0
C[C@H](Oc1cc(-c2cnc3ccccn23)sc1C(N)=O)c1ccc(C[N@H+]2CC[C@H](F)CC2)cc1Cl,0.0
O=C1NCCc2[nH]c(-c3ccncc3)cc21,0.0
C[C@@H](Oc1cc(-n2cnc3cc(-c4ccncc4)ccc32)sc1C(N)=O)c1ccccc1Cl,0.0
COc1cc(Nc2ncc3c(C)nc(-c4ccccc4)n3n2)cc(OC)c1OC,0.0
C[NH+]1CCN(c2ccc(C(=O)Nc3n[nH]c4c3CN(C(=O)Cc3cccs3)C4)cc2)CC1,0.0
C[C@@H](Oc1cc(-n2cnc3cc(-c4ccc[nH]4)ccc32)sc1C(N)=O)c1ccccc1C(F)(F)F,0.0
CC(=O)c1cc(N2CC[NH+](C)CC2)ccc1Nc1ncc2c(n1)-c1c(c(C(N)=O)nn1C)CC2,0.0
C[C@H](Oc1cc(-c2cnc3ccccn23)sc1C(N)=O)c1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1Cl,0.0
C[C@@H](Oc1cc(-n2cnc3cc(-c4cccs4)ccc32)sc1C(N)=O)c1ccccc1C(F)(F)F,0.0
Cn1nc(C(N)=O)c2c1-c1nc(Nc3ccccc3Cc3ccccc3)ncc1CC2,0.0
C[C@H](Oc1cc(-c2cnc3ccccn23)sc1C(N)=O)c1ccc(CN2CCS(=O)(=O)CC2)cc1Cl,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(ncn2Cc2ccccc2[C@@H](F)C(F)(F)P(=O)([O-])[O-])c(=O)[nH]1,0.0
Nc1nc2c(Cc3cccc(OCc4ccccc4)c3)c[nH]c2c(=O)[nH]1,0.0
Nc1nc2c(Cc3cccc(O)c3)c[nH]c2c(=O)[nH]1,0.0
Nc1nc2c(Cc3ccc(Cl)cc3)c[nH]c2c(=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(Cc3cccc(Oc4ccccc4)c3)c[nH]c2c(=O)[nH]1,0.0
Nc1nc2c(Cc3ccccc3)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
Nc1nc2c(Cc3cnccc3Cl)c[nH]c2c(=O)[nH]1,0.0
Nc1nc2c(CC3CCCCCC3)c[nH]c2c(=O)[nH]1,0.0
Nc1nc2c(Cc3ccc(OCc4ccccc4)cc3)c[nH]c2c(=O)[nH]1,0.0
Nc1nc2c(Cc3ccc(-c4ccccc4)cc3)c[nH]c2c(=O)[nH]1,0.0
Nc1nc(=O)c2nnn(CCCCC[P@@](=O)([O-])O)c2[nH]1,0.0
Nc1nc(=O)c2[nH]cc(Cc3ccccn3)c2[nH]1,0.0
Nc1nc([O-])c2[nH]cc(Cc3ccncc3)c2n1,0.0
C[C@@H]1CCC[C@@H](Cc2c[nH]c3c(=O)[nH]c(N)nc23)C1,0.0
Nc1nc2c(Oc3ccccc3)c[nH]c2c(=O)[nH]1,0.0
O=c1[nH]cnc2c(Cc3ccccc3)c[nH]c12,0.0
Nc1nc2[nH]c(Cc3ccccc3)nc2c(=O)[nH]1,0.0
Nc1nc2c(cnn2COCCCCC[P@@](=O)([O-])O)c(=O)[nH]1,0.0
Nc1nc2c(C3CCCCC3)c[nH]c2c(=O)[nH]1,0.0
Nc1nc2nc(NCc3ccccc3)[nH]c2c(=O)[nH]1,0.0
Nc1nc2c(ncn2CC[C@@H]2C[C@H]2C(F)(F)P(=O)([O-])[O-])c(=O)[nH]1,0.0
N#CC[C@@H](c1cccc(Cl)c1)c1c[nH]c2c(=O)[nH]cnc12,0.0
Nc1nc2c(c(=O)[nH]1)N=C(c1cccnc1)C2,0.0
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(ncn2CCCCC(F)(F)P(=O)([O-])[O-])c(=O)[nH]1,0.0
O=c1[nH]cnc2c(Cc3cccnc3)c[nH]c12,0.0
O=c1[nH]cnc2c1ncn2C[C@@H]1COC[C@@H]1CC(F)(F)P(=O)([O-])[O-],0.0
Nc1nc2c(C[C@@H]3CCCSS3)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@H]3N[C@H](CO)[C@H](O)[C@@H]3O)c[nH]c2c(=O)[nH]1,0.0
Cc1ccsc1CC1=Nc2c(nc(N)[nH]c2=O)C1,0.0
Nc1nc2nn(COCCCCC[P@@](=O)([O-])O)nc2c(=O)[nH]1,0.0
Nc1nc2c(Cc3ccco3)c[nH]c2c(=O)[nH]1,0.0
Nc1nc2c(CC3CCCC3)c[nH]c2c(=O)[nH]1,0.0
Cc1ccsc1Cc1nc2c(=O)[nH]c(N)nc2[nH]1,0.0
Nc1nc2c(Cc3cccs3)c[nH]c2c(=O)[nH]1,0.0
Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[N@@H+](CC(=O)[O-])Cc2ccc3ccccc3c2)cc1,0.0
Cc1oc(-c2ccccc2)nc1CCOc1cccc(Cc2nn(-c3ccccc3)nc2CC(=O)[O-])c1,0.0
Cc1oc(-c2ccccc2)nc1CCOc1cccc(C[N@@H+](CC(=O)[O-])Cc2ccc3ccccc3c2)c1,0.0
Cc1oc(-c2ccccc2)nc1CCOc1cccc(Cc2cn(-c3ccccc3)cc2C(=O)[O-])c1,0.0
Cc1oc(-c2ccccc2)nc1CCOc1cccc(Cc2cn(-c3ccccc3)nc2C(=O)[O-])c1,0.0
Cc1oc(-c2ccccc2)nc1CCOc1cccc(Cc2nn(-c3ccccc3)cc2C(=O)[O-])c1,0.0
CC[C@@H](C(=O)[O-])[C@@H]1CCc2cc(OCCc3nc(-c4ccccc4)oc3C)c(-c3ccc(OC)cc3)cc21,0.0
Cc1oc(-c2ccccc2)nc1CCOc1cccc(-c2nn(-c3ccccc3)nc2CC(=O)[O-])c1,0.0
Cc1oc(-c2ccccc2)nc1CCCc1ccc(C[C@@H](C(=O)[O-])c2cccc(-c3ccccc3)c2)cc1,0.0
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(Cc2nn(-c3ccccc3)cc2C(=O)[O-])cc1,0.0
Cc1oc(-c2ccccc2)nc1CCOc1cccc(C[N@@H+](CC(=O)[O-])Cc2cccc3ccccc23)c1,0.0
Cc1cc(OCc2nc(-c3ccc(OC4CCCC4)cc3)c(-c3ccc(OC(F)(F)F)cc3)o2)ccc1OCC(=O)[O-],0.0
Cc1oc(-c2ccccc2)nc1CCOc1ccc(Cc2cn(-c3ccccc3)cc2C(=O)[O-])cc1,0.0
COC(=O)[C@H]1Cc2ccc(OCCc3nc(-c4ccc(-c5ccccc5)cc4)oc3C)cc2OC1=O,0.0
Cc1oc(-c2ccccc2)nc1CCOc1ccc(Cc2nn(-c3ccccc3)nc2CC(=O)[O-])cc1,0.0
Cc1oc(-c2ccccc2)nc1CCOc1cccc(C[N@@H+](CC(=O)[O-])Cc2cc3ccccc3[nH]2)c1,0.0
Cc1oc(-c2ccccc2)nc1CCOc1cccc(C2=C(CC(=O)[O-])CCN(C(=O)Oc3ccccc3)C2)c1,0.0
Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[N@@H+](CC(=O)[O-])Cc2ccc(-c3ccccc3Cl)o2)cc1,0.0
CCCc1cc(C=C2CCCCC2)ccc1OCCCOc1cccc([C@H]2SC(=O)NC2=O)c1,0.0
Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CCOc1ccc(C[C@]2(C(=O)[O-])CCCO2)cn1,0.0
C/C(=N\OCCCCO/N=C(/CCC(=O)[O-])c1ccccc1)c1cccc(-c2ccccc2)c1,0.0
Cc1oc(-c2ccccc2)nc1COc1ccc(CO/N=C(\CCC(=O)[O-])c2ccccc2)cc1,0.0
CCO[C@@H](Cc1ccc(OC/C=C/c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc1)C(=O)[O-],0.0
CCCc1cc(C(=O)c2ccccc2)ccc1OCCCOc1cccc([C@H]2SC(=O)NC2=O)c1,0.0
C/C(=C/C(=O)c1ccccc1)N[C@@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)C(=O)[O-],0.0
Cc1ccc(-c2nc(CCOc3ccc(C[C@H]4CO[C@@](C)(C(=O)[O-])OC4)cc3)c(C)o2)cc1,0.0
CCO[C@@H](Cc1ccc(OC/C=C/c2cc(CCc3ccccc3)cc(CCc3ccccc3)c2)cc1)C(=O)[O-],0.0
Cc1oc(-c2ccccc2)nc1CCOc1ccc(CCC2=C(C(=O)[O-])CCN(C(=O)OCC(C)C)C2)cc1,0.0
Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[N@@H+](CC(=O)[O-])Cc2ccc3c(c2)OCO3)cc1,0.0
CCCc1cc(C(=O)C2CCCCC2)ccc1OCCCOc1cccc([C@H]2SC(=O)NC2=O)c1,0.0
Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC[C@@H]2CN(C(=O)OCC(C)C)CC[C@@H]2C(=O)[O-])cc1,0.0
CC[C@H](Cc1ccc(OC)c(CCCc2ccc(C(F)(F)F)cc2)c1)C(=O)[O-],0.0
Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[N@@H+](CC(=O)[O-])Cc2cccc(Oc3ccccc3)c2)cc1,0.0
CCCCOc1ccc(-c2ccc(C(=O)[O-])cc2C)cc1CNC(=O)c1ccc(C(F)(F)F)cc1F,0.0
CC[C@H](Cc1ccc(OC)c(C(=O)CCc2ccc(C(F)(F)F)cc2)c1)C(=O)[O-],0.0
Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CCOc1ccc(OC(C)(C)C(=O)[O-])cc1,0.0
O=C([O-])[C@H](Cc1ccccc1)Oc1ccc(-c2ccccc2)cc1,0.0
Cc1oc(-c2ccccc2)nc1CCOc1cccc(C[N@H+](CCc2ccccc2)CC(=O)[O-])c1,0.0
C/C(=N\OCc1ccc(F)cc1)[C@@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)C(=O)[O-],0.0
CCCc1cc(CC2CCCCC2)ccc1OCCCOc1cccc([C@H]2SC(=O)NC2=O)c1,0.0
Cc1oc(-c2ccccc2)nc1CCOc1cccc(C[N@H+](CCCc2ccccc2)CC(=O)[O-])c1,0.0
COc1ccc(-c2nc(COc3ccc(OCC(=O)[O-])c(C)c3)sc2-c2ccc3ccccc3c2)cc1,0.0
Cc1cc(OCc2nc(-c3ccc4[nH]c(=O)oc4c3)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
O=C([O-])Cc1ccc(COc2cccc(-c3c(Cc4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)cc1,0.0
COc1ccc(-c2nc(COc3ccc(OCC(=O)[O-])c(C)c3)sc2-c2cc3ccccc3o2)cc1,0.0
O=C([O-])Cc1coc2cc(OCc3ccccc3COc3ccc(C(F)(F)F)cc3)ccc12,0.0
CCCc1cc(-c2noc3ccccc23)ccc1OCCCOc1cccc([C@H]2SC(=O)NC2=O)c1,0.0
COc1ccc(-c2nc(COc3ccc4c(CC(=O)[O-])cccc4c3)sc2-c2ccc(C(F)(F)F)cc2)cc1,0.0
Cc1cc(OCc2nc(-c3ccc(OC4CCCC4)cc3)c(-c3ccc(OC(F)(F)F)cc3)o2)ccc1OCC(=O)[O-],0.0
CC(C)(Oc1ccc(CCN(C(=O)Nc2ccc(F)cc2F)C2CCCCCC2)cc1)C(=O)[O-],0.0
Cc1cc(OCc2nc(-c3ccc4c(c3)OCO4)c(-c3ccc(OC(F)(F)F)cc3)s2)ccc1OCC(=O)[O-],0.0
Cc1cc(OCc2nc(-c3ccc4c(c3)OCCO4)c(-c3ccc(OC(F)(F)F)cc3)s2)ccc1OCC(=O)[O-],0.0
Cc1cc(SCC2(COc3ccc(C(F)(F)F)cc3)OCCCO2)ccc1OCC(=O)[O-],0.0
CCCc1cc(C=C2CCCCC2)ccc1OCCCOc1cccc([C@H]2SC(=O)NC2=O)c1,0.0
COc1ccc(-c2nc(COc3ccc4c(ccn4CC(=O)[O-])c3)sc2-c2ccc(C(F)(F)F)cc2)cc1,0.0
O=C([O-])Cn1ccc2cc(OCc3ccccc3COc3ccc(C(F)(F)F)cc3)ccc21,0.0
CCCc1cc(C(=O)c2ccccc2)ccc1OCCCOc1cccc([C@H]2SC(=O)NC2=O)c1,0.0
O=C([O-])C[C@@H]1CCc2cc(OCCCOc3ccc(-c4ccc5cc[nH]c5c4)cc3)ccc21,0.0
CCCc1cc(C(=O)C2CCCCC2)ccc1OCCCOc1cccc([C@H]2SC(=O)NC2=O)c1,0.0
Cc1cc(OCc2nc(-c3ccc(-c4ccccc4)cc3)c(-c3ccc(OC(F)(F)F)cc3)s2)ccc1OCC(=O)[O-],0.0
CC[C@H](Cc1ccc(OC)c(CCCc2ccc(C(F)(F)F)cc2)c1)C(=O)[O-],0.0
Cc1cc(OCc2nc(-c3ccc(OC(C)C)cc3)c(-c3ccc(OC(F)(F)F)cc3)s2)ccc1OCC(=O)[O-],0.0
Cc1cc(SC[C@H](COc2ccc(C(F)(F)F)cc2)OCc2ccccc2)ccc1OCC(=O)[O-],0.0
O=C([O-])Cc1ccc(CNc2cccc(-c3c(Cc4ccccc4)cnc4c(Cl)cccc34)c2)cc1,0.0
COc1ccc(-c2nc(COc3ccc(OCC(=O)[O-])c(C)c3)sc2/C=C/c2ccccc2)cc1,0.0
Cc1cc(OCc2nc(-c3ccc(N4CCCC4)cc3)c(-c3ccc(OC(F)(F)F)cc3)s2)ccc1OCC(=O)[O-],0.0
O=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc(-c2ccccc2)cc1,0.0
CCO[C@@H](Cc1ccc(OC/C=C(\c2ccccc2)c2ccc(-c3ccco3)cc2)cc1)C(=O)[O-],0.0
CC[C@H](Cc1ccc(OC)c(OCCc2ccc(C(F)(F)F)cc2)c1)C(=O)[O-],0.0
Cc1cc(OCc2nc(-c3ccc4c(c3)OCCCO4)c(-c3ccc(OC(F)(F)F)cc3)s2)ccc1OCC(=O)[O-],0.0
O=C([O-])Cc1ccc(-c2noc(-c3ccccc3)c2COCCOc2ccc(Cl)cc2Cl)c(Cl)c1,0.0
CCCc1cc(CC2CCCCC2)ccc1OCCCOc1cccc([C@H]2SC(=O)NC2=O)c1,0.0
Cc1cc(OCc2nc(-c3ccc(OC(C)C)nc3)c(-c3ccc(OC(F)(F)F)cc3)s2)ccc1OCC(=O)[O-],0.0
CCCc1cc(OC2CCCCCC2)ccc1OCCCOc1cccc([C@H]2SC(=O)NC2=O)c1,0.0
COc1ccc(-c2nc(COc3ccc4c(c3)C[C@@H](C(=O)[O-])O4)sc2-c2ccc(C(F)(F)F)cc2)cc1,0.0
O=C([O-])C[C@@H]1CCc2cc(OCCCOc3ccc(-c4ccc(C(F)(F)F)cn4)cc3)ccc21,0.0
O=C([O-])C[C@@H]1CCc2cc(OCCCOc3ccc(-c4nc5c(s4)CCCC5)cc3)ccc21,0.0
COc1ccc(-c2nc(COc3ccc(OCC(=O)[O-])c(C)c3)sc2-c2ccc(Cl)nc2)cc1,0.0
Cc1cc(OCc2nc(-c3cnc(OC(C)C)nc3)c(-c3ccc(OC(F)(F)F)cc3)s2)ccc1OCC(=O)[O-],0.0
Cc1nc(C(F)(F)F)sc1COc1ccc2c(ccn2CC(=O)[O-])c1,0.0
CCCc1c(OCCCOc2ccc(CCC(=O)[O-])cc2)ccc2c(-c3ccccc3)noc12,0.0
CS(=O)(=O)/N=C(\[O-])c1cc2ccccc2n1Cc1cccc(C(F)(F)F)c1,0.0
Cc1oc(-c2ccccc2)nc1CCCc1ccc(C[C@@H](C(=O)[O-])c2ccc(-c3ccccc3)cc2)cc1,0.0
O=S(=O)(/N=C(\[O-])c1cc2ccccc2n1Cc1cccc(C(F)(F)F)c1)c1ccc2ccccc2c1,0.0
Cc1oc(-c2ccccc2)nc1CCOc1cccc(Cc2nn(-c3ccccc3)nc2CC(=O)[O-])c1,0.0
Cc1oc(-c2ccccc2)nc1CCOc1cccc(C[N@@H+](CC(=O)[O-])Cc2ccc3ccccc3c2)c1,0.0
Cc1oc(-c2ccccc2)nc1CCOc1cccc(Cc2cn(-c3ccccc3)cc2C(=O)[O-])c1,0.0
Cc1oc(-c2ccccc2)nc1CCOc1cccc(Cc2cn(-c3ccccc3)nc2C(=O)[O-])c1,0.0
Cc1oc(-c2ccccc2)nc1CCOc1ccc(-c2nn(-c3ccccc3)nc2CC(=O)[O-])cc1,0.0
Cc1oc(-c2ccccc2)nc1CCOc1cccc(Cc2nn(-c3ccccc3)cc2C(=O)[O-])c1,0.0
CC[C@@H](C(=O)[O-])[C@@H]1CCc2cc(OCCc3nc(-c4ccccc4)oc3C)c(-c3ccc(OC)cc3)cc21,0.0
Cc1oc(-c2ccccc2)nc1CCOc1cccc(-c2nn(-c3ccccc3)nc2CC(=O)[O-])c1,0.0
O=C([O-])Cc1ccc(COc2cccc(-c3c(Cc4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)cc1,0.0
CCOC(=O)CC1=C(c2ccccc2)c2ccc(OC)cc2C1=O,0.0
Cc1oc(-c2ccc3ccccc3c2)nc1COc1ccc(CCC[C@H]2OC(=O)NC2=O)cc1,0.0
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(Cc2nn(-c3ccccc3)cc2C(=O)[O-])cc1,0.0
O=S(=O)(/N=C(\[O-])c1cc2ccccc2n1Cc1cccc(C(F)(F)F)c1)c1ccc(Cl)s1,0.0
CCCc1cc(-c2noc3ccccc23)ccc1OCCCOc1cccc([C@H]2SC(=O)NC2=O)c1,0.0
Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CCOc1ccc2c(c1)CC[C@H]2CC(=O)[O-],0.0
Cc1oc(-c2ccccc2)nc1CCOc1cccc(C[N@@H+](CC(=O)[O-])Cc2cccc3ccccc23)c1,0.0
CC(C)(Oc1ccc(CCN(C(=O)Nc2ccc(F)cc2F)C2CCCCCC2)cc1)C(=O)[O-],0.0
Cc1oc(-c2ccccc2)nc1CCOc1ccc(Cc2cn(-c3ccccc3)cc2C(=O)[O-])cc1,0.0
Cc1oc(-c2ccccc2)nc1CCOc1ccc(Cc2nn(-c3ccccc3)nc2CC(=O)[O-])cc1,0.0
Cc1oc(-c2ccccc2)nc1CCOc1cccc(C[N@@H+](CC(=O)[O-])Cc2cc3ccccc3[nH]2)c1,0.0
Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CCOc1ccc(CCC(=O)[O-])c(CNC(=O)OC(C)C)c1,0.0
Cc1sc(-c2ccc(-c3ccccc3)cc2)nc1CCOc1ccc2c(c1)CC[C@H]2CC(=O)[O-],0.0
Cc1oc(-c2ccccc2)nc1CCOc1cccc(C2=C(CC(=O)[O-])CCN(C(=O)Oc3ccccc3)C2)c1,0.0
Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[N@@H+](CC(=O)[O-])Cc2ccc(-c3ccccc3Cl)o2)cc1,0.0
CCCc1cc(C=C2CCCCC2)ccc1OCCCOc1cccc([C@H]2SC(=O)NC2=O)c1,0.0
Cc1oc(-c2ccccc2)nc1CCOc1cccc(C[C@H]2C(=O)N(c3ccc(F)cc3)[C@@H]2C(=O)[O-])c1,0.0
CCOC(=O)C1=C(c2ccccc2)c2ccc(OC)cc2/C1=[N+](/C)[O-],0.0
C/C(=N\OCCCCO/N=C(/CCC(=O)[O-])c1ccccc1)c1cccc(-c2ccccc2)c1,0.0
CCO[C@@H](Cc1ccc(OC/C=C/c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc1)C(=O)[O-],0.0
Cc1c(C(=O)c2ccc(Cl)cc2)c2ccc(OC(F)(F)F)cc2n1Cc1cccc(O[C@@H](C)C(=O)[O-])c1,0.0
CCCc1cc(C(=O)c2ccccc2)ccc1OCCCOc1cccc([C@H]2SC(=O)NC2=O)c1,0.0
C/C(=C/C(=O)c1ccccc1)N[C@@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)C(=O)[O-],0.0
O=C([O-])Cc1cccc2c(NCc3cccc(-c4c(Cc5ccccc5)cnc5c(C(F)(F)F)cccc45)c3)cccc12,0.0
Cc1ccc(OCCOc2cccc(/C=C3/C(=O)NC(=O)N=C3[O-])c2)cc1,0.0
Cc1cnc(-c2ccc(C(C)C)cc2)nc1N(C)CCCOc1ccc2c(c1)CC[C@H]2CC(=O)[O-],0.0
O=C([O-])C[C@@H]1CCc2cc(OCCCOc3ccc(-c4ccc5cc[nH]c5c4)cc3)ccc21,0.0
CC1=CC(C)(C)Nc2ccc3c(c21)[C@@H](Cc1ccccc1)Oc1ccccc1-3,0.0
COc1ccc(C(=O)C[C@@H](Nc2ccc([N+](=O)[O-])cc2)c2ccc(C(F)(F)F)cc2)cc1,0.0
O=C(OCc1nn(-c2ccc(F)cc2)c2c1CCC[C@@H]2Cc1cccc2ccccc12)c1ccccc1,0.0
N#Cc1ccc(N2C(=O)c3ccccc3C3(CCCC3)C2=O)cc1,0.0
N#Cc1cc(F)cc(-c2ccc3[nH]c(=O)n(C4CCCCC4)c3c2)c1,0.0
O=C(C[C@@H](Nc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1)c1ccc(-c2ccccc2)cc1,0.0
O=Cc1nn(-c2ccc(F)cc2)c2c1CCC[C@@H]2Cc1ccc(F)c(F)c1,0.0
O=C(C[C@H](Nc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1)c1ccc(C2CCCCC2)cc1,0.0
CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1C)Oc1ccc(F)cc1-3,0.0
Cc1c([N-]S(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(Cl)cc1F,0.0
O=C(C[C@@H](Nc1ccc([N+](=O)[O-])cc1)C1CCCCC1)c1ccc(Cl)cc1,0.0
CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ncccc1C)Oc1ccc(F)cc1-3,0.0
COc1ccc(F)cc1C(C)(C)C[C@@](O)(CNc1ccc2c(c1)COC2=O)Cc1ccccc1,0.0
CC(C)(C[C@](O)(CC1CCCCC1)C(=O)Nc1ccc2c(c1)COC2=O)c1ccccc1,0.0
CC(C)(C[C@](O)(Cc1ccc2ccccc2c1)C(=O)Nc1ccc2c(c1)COC2=O)c1ccccc1,0.0
C[C@@]1(Cc2ccccc2)C(=O)Nc2ccc(-c3cccc(Cl)c3)cc21,0.0
CC1(C)OCC(=O)Nc2ccc(-c3cccc(F)c3)cc21,0.0
N#Cc1ccc(-c2ccc3c(c2)C2(CCCCC2)OCC(=O)N3)[nH]1,0.0
O=C(C[C@@H](Nc1ccc([N+](=O)[O-])cc1)C1CCCCC1)c1ccc(-c2ccccc2)cc1,0.0
CC(C)(C[C@](O)(Cc1ccccc1)C(=O)Nc1ccc2c(c1)COC2=O)c1ccccc1,0.0
N#Cc1cc(F)cc(-c2ccc3[nH]c(=O)n(-c4ccccc4)c3c2)c1,0.0
O=Cc1nn(-c2ccc(F)cc2)c2c1CCC[C@H]2Cc1cccc2ccccc12,0.0
COc1ccccc1-c1ccc2c(c1)C(CSCc1ccccc1)=CC(C)(C)N2,0.0
CC1=CC(C)(C)Nc2ccc3c(oc4ccccc43)c21,0.0
CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccncc1C)Oc1ccc(F)cc1-3,0.0
CC1=CC(C)(C)Nc2ccc3c(c21)Cc1ccccc1-3,0.0
CC1=[NH+]CC(=O)Nc2ccc(-c3ccc(F)c(Cl)c3)cc21,0.0
CC(C)(C[C@](O)(CCc1ccccc1)C(=O)Nc1ccc2c(c1)COC2=O)c1ccccc1,0.0
O=C(C[C@@H](Nc1ccc([N+](=O)[O-])cc1)C1CCCCC1)c1ccc(C2CCCCC2)cc1,0.0
N#Cc1cc(F)cc(-c2ccc3[nH]c(=O)n(C4CCCC4)c3c2)c1,0.0
COC(=O)N1CC[C@H](N(Cc2ccccc2Cl)c2ccc(C#N)c(Cl)c2)C1,0.0
CC(C)(C[C@](O)(Cc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc2c(c1)COC2=O)c1ccccc1,0.0
Cn1c(C#N)ccc1-c1cc(F)c2c(c1)C(C)(C)C(=O)N2C1CCCC1,0.0
CC(C)(C[C@](O)(Cc1ccccn1)C(=O)Nc1ccc2c(c1)COC2=O)c1ccccc1,0.0
CC1(C)OCC(=S)Nc2ccc(-c3cc(F)cc(F)c3)cc21,0.0
O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)N[C@@H]1CCCC[C@H]31,0.0
N#Cc1ccc(C(=O)C[C@@H](Nc2ccc([N+](=O)[O-])cc2)c2ccsc2)cc1,0.0
O=C(C[C@H](Nc1ccc([N+](=O)[O-])cc1)c1ccco1)c1ccc(Cl)cc1,0.0
C/C(=C\Cn1oc(=O)nc1[O-])c1cccc(OCc2nc(-c3ccc(C(F)(F)F)cc3)oc2-c2ccccc2)c1,0.0
NC(=O)c1ccc2cc(Br)c(C(F)(F)P(=O)([O-])[O-])cc2n1,0.0
COc1ccc2cc(O)c(N3CC(=O)NS3(=O)=O)cc2c1,0.0
C[C@](Cc1ccc(C(F)(F)P(=O)([O-])[O-])cc1)(c1ccccc1)n1nnc2ccccc21,0.0
O=C(c1ccccc1)[C@@H](Cc1ccc(C(F)(F)P(=O)([O-])[O-])c(Br)c1)c1ccccc1,0.0
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(CCCC[C@@H]1CCSC(c2ccccc2)(c2ccccc2)S1)Nc1ccc2c(c1)C[C@H](C(=O)[O-])OC2,0.0
O=C([O-])c1cc(/C=C/c2ccc(/C=C/c3cc(C(=O)[O-])c(O)c(-c4ccco4)c3)cc2)cc(-c2ccco2)c1O,0.0
CCOC(=O)CCC1=C(n2ccc3ccccc32)c2ccccc2C(=O)C1=O,0.0
O=S(=O)(N[C@@H](Cc1ccc([C@@H]2CC([O-])=NS2(=O)=O)cc1)c1ncc(CCc2ccccc2)[nH]1)c1cccc(F)c1,0.0
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
O=C(CCCc1cccs1)Nc1ccc2c(c1)C[C@H](C(=O)[O-])OC2,0.0
O=C(c1ccccc1)[C@@](C/C=C/c1ccccc1)(Cc1ccc(C(F)(F)P(=O)([O-])[O-])cc1)c1ccccc1,0.0
CC1(C)SC[C@@H](CCCCC(=O)Nc2ccc3c(c2)C[C@H](C(=O)[O-])OC3)S1,0.0
O=C(CCCc1cccs1)Nc1ccc2c(c1)CO[C@@H](C(=O)[O-])C2,0.0
O=C([O-])c1cccc(/C=C/c2ccc3cc(Br)c(C(F)(F)P(=O)([O-])[O-])cc3n2)c1,0.0
O=C(CCCC[C@@H]1CCSC(c2ccccc2)(c2ccccc2)S1)Nc1ccc2c(c1)CO[C@@H](C(=O)[O-])C2,0.0
CCCCCCCCCCCCCCCc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c1C(=O)[O-],0.0
O=C([O-])COc1c(C(=O)[O-])sc(-c2cccc(NC3CCN(C(=O)NCc4ccccc4)CC3)c2)c1Br,0.0
CC1(C)SC[C@@H](CCCCC(=O)Nc2ccc3c(c2)CO[C@@H](C(=O)[O-])C3)S1,0.0
CCCCc1oc2ccccc2c1-c1ccc(-c2ccc(O)cc2)cc1,0.0
O=C(Nc1cccc(F)c1)c1ccc2cc(Br)c(C(F)(F)P(=O)([O-])[O-])cc2n1,0.0
O=C([O-])COc1c(C(=O)[O-])sc(-c2cccc(OCc3ccccc3)c2)c1Br,0.0
O=C(NCc1ccccc1)c1ccc2cc(Br)c(C(F)(F)P(=O)([O-])[O-])cc2n1,0.0
O=C([O-])c1cc(S(=O)(=O)Oc2ccc(-c3ccc(-c4c(Cc5ccccc5)oc5ccccc45)cc3)cc2)ccc1O,0.0
O=C(CC[C@@H]1CSC(c2ccccc2)(c2ccccc2)S1)Nc1ccc2c(c1)C[C@H](C(=O)[O-])OC2,0.0
O=C([O-])c1ccc(S(=O)(=O)Oc2ccc(-c3ccc(-c4c(Cc5ccccc5)sc5ccccc45)cc3)cc2)cc1O,0.0
O=C(CCCCc1cccs1)Nc1ccc2c(c1)CO[C@@H](C(=O)[O-])C2,0.0
Cc1sc(Cc2ccccc2)c(-c2ccc(-c3ccc(OS(=O)(=O)c4ccc(C(=O)[O-])c(O)c4)cc3)cc2)c1C,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(CCCCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=O)[nH]1,0.0
Nc1nc(=O)c2c([nH]1)NC[C@@H](CCCc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)N2,0.0
Nc1nc2sc(CCCCCc3ccc(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)c2nc3ccccc3o2)c2ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc2)c(=O)[nH]1,0.0
Nc1nc2sc(CCCCc3ccc(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)C(F)(F)F)c2ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc2)c(=O)[nH]1,0.0
Nc1nc2sc(CCCCCCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=O)[nH]1,0.0
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]c(CCCCCCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=O)[nH]1,0.0
Nc1nc2[nH]c(CCCCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])s3)cc2c(=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
Nc1nc2c(c(=O)[nH]1)C[C@@H](Cc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)CN2,0.0
Nc1nc2sc(CCCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=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
Nc1nc2[nH]c(CCCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=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
Nc1nc(=O)c2c([nH]1)NC[C@H](CCc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)C2,0.0
Nc1nc2c(c(=O)[nH]1)S[C@H](CCc1cccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])c1)CN2,0.0
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
Nc1nc2c(c(=O)[nH]1)C[C@H](CNc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)CC2,0.0
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
Nc1cc2c(c(=O)[nH]1)C[C@H](CCc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)CCN2,0.0
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
Nc1nc(N)c(SCCCc2cccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])c2)c(=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
Nc1ncc2c(n1)NC[C@H](CCc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)C2,0.0
Nc1nc2ncc(CCc3ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=O)[nH]1,0.0
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
Nc1nc2c(c(=O)[nH]1)S[C@H](CCc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)CN2,0.0
Nc1nc2sc(CCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=O)[nH]1,0.0
Nc1nc2[nH]cc(CCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)c2c(=O)[nH]1,0.0
Nc1nc(N)c(SCCCc2ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc2)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
Nc1nc2c(c(=O)[nH]1)S[C@H](CCc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])s1)CN2,0.0
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
Cc1cc(CCCSc2c(N)nc(N)[nH]c2=O)sc1C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-],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
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
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
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
Nc1nc(N)c(CCCNc2cnc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])s2)c(=O)[nH]1,0.0
Nc1nc(N)c(SCCCc2ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])s2)c(=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
CCc1cc(CCCSc2c(N)nc(N)[nH]c2=O)sc1C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-],0.0
Cc1ccnc(C(=O)Nc2cc3ccccc3cc2Oc2ccc(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
COc1ccnc(C(=O)Nc2cc3ccccc3cc2Oc2ccc(C(=O)[O-])c(C(=O)[O-])c2)c1,0.0
O=C(Nc1cc2ccccc2cc1Oc1ccc(C(=O)[O-])c(C(=O)[O-])c1)c1cc(Cl)ccn1,0.0
O=C(Nc1cc2ccccc2cc1Oc1ccc(C(=O)[O-])c(C(=O)[O-])c1)c1ccccn1,0.0
O=C(Nc1c(F)cccc1Oc1ccc(C(=O)[O-])c(C(=O)[O-])c1)c1cc(Cl)ccn1,0.0
O=C(Nc1cc2ccccc2cc1Oc1ccc(C(=O)[O-])c(C(=O)[O-])c1)c1cc(C(F)(F)F)ccn1,0.0
O=C(Nc1ccccc1Oc1ccc(C(=O)[O-])c(C(=O)[O-])c1)c1cc(Cl)ccn1,0.0
Cn1c(=O)c(Nc2ccc(C(=O)NCc3ccco3)cc2)nc2ccccc21,0.0
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
COc1ccnc(C(=O)Nc2ccccc2Oc2ccc(C(=O)[O-])c(C(=O)[O-])c2)c1,0.0
O=C(Nc1ccccc1Oc1ccc(C(=O)[O-])c(C(=O)[O-])c1)c1cccc([N+](=O)[O-])c1,0.0
N#Cc1ccnc(C(=O)Nc2ccccc2Oc2ccc(C(=O)[O-])c(C(=O)[O-])c2)c1,0.0
O=C(Nc1cc2ccccc2cc1Oc1ccc(C(=O)[O-])c(C(=O)[O-])c1)c1cccc([N+](=O)[O-])c1,0.0
COc1ccnc(C(=O)Nc2c(F)cccc2Oc2ccc(C(=O)[O-])c(C(=O)[O-])c2)c1,0.0
O=C(Nc1ccccc1Oc1ccc(C(=O)[O-])c(C(=O)[O-])c1)c1cc([N+](=O)[O-])ccn1,0.0
Cn1c(=O)c(Nc2ccc(C(=O)NCc3cccs3)cc2)nc2ccccc21,0.0
O=C(NCc1cccs1)c1ccc(Nc2nc3ccccc3n(CCO)c2=O)cc1,0.0
O=C(NCc1cccs1)c1ccc(Nc2nc3ccccc3n(CCc3ccccn3)c2=O)cc1,0.0
O=C(Nc1cc2ccccc2cc1Oc1ccc(C(=O)[O-])c(C(=O)[O-])c1)c1cc([N+](=O)[O-])ccn1,0.0
CCn1c(=O)c(Nc2ccc(C(=O)NCc3cccs3)cc2)nc2ccccc21,0.0
O=C(Nc1ccccc1Oc1ccc(C(=O)[O-])c(C(=O)[O-])c1)c1cc(I)ccn1,0.0
Cn1c(=O)c(Nc2ccc(C(=O)NCc3cccs3)cc2)nc2cccnc21,0.0
Cn1c(=O)c(Nc2ccc(C(=O)Nc3cc[nH]n3)cc2)nc2ccccc21,0.0
Cn1c(=O)c(Nc2ccc(C(=O)Nc3ccon3)cc2)nc2ccccc21,0.0
Cn1c(=O)c(Nc2ccc(C(=O)NCc3cccs3)cc2)nc2cc(F)ccc21,0.0
O=C(NCc1cccs1)c1ccc(Nc2nc3ccccc3n(CCN3CCOCC3)c2=O)cc1,0.0
Cc1ccc2nc(Nc3ccc(C(=O)NCc4cccs4)cc3)c(=O)n(C)c2c1,0.0
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]1Cc2ccccc2NC1=O)c1cc2cc(Cl)ccc2[nH]1,0.0
CN1C(=O)[C@H](NC(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)Cc2ccccc21,0.0
OC[C@@H]1O[C@]2(ON=C(c3ccc4ccccc4c3)S2)[C@H](O)[C@H](O)[C@H]1O,0.0
Cn1c(=O)c(Nc2ccc(C(=O)Nc3nccs3)cc2)nc2ccccc21,0.0
O=C(NCc1cccs1)c1ccc(Nc2nc3ccccc3n(CC[NH+]3CCCCC3)c2=O)cc1,0.0
O=C(N[C@@H]1CCc2ccccc2NC1=O)c1cc2cc(Cl)ccc2[nH]1,0.0
CN1C(=O)[C@H](NC(=O)c2cc3cc(Cl)cc(F)c3[nH]2)Cc2ccccc21,0.0
CCc1ccc2[nH]c(C(=O)N[C@@H]3Cc4ccccc4N(C)C3=O)cc2c1,0.0
CN1C(=O)[C@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)CCc2ccccc21,0.0
Cn1c(=O)c(Nc2ccc(NC(=O)c3ccno3)cc2)nc2ccccc21,0.0
CN1C(=O)[C@H](NC(=O)c2cc3cc(Br)ccc3[nH]2)Cc2ccccc21,0.0
Cc1ccc2[nH]c(C(=O)N[C@@H]3Cc4ccccc4N(C)C3=O)cc2c1,0.0
CN1C(=O)[C@H](NC(=O)c2cc3cc(F)ccc3[nH]2)Cc2ccccc21,0.0
Cc1c(-c2ccc3ccccc3c2)nc2ccc(F)cc2c1C(=O)[O-],0.0
Cc1c(-c2ccc(C(C)(C)C)cc2)nc2ccc(F)cc2c1C(=O)[O-],0.0
Cc1ccc(CNC(=O)c2cc(C(=O)Nc3ccccc3)n(-c3ccc(Cl)cc3)n2)cc1,0.0
O=C(NCc1ccccc1)c1cc(C(=O)Nc2ccccc2)n(-c2ccc(Cl)cc2)n1,0.0
O=C(NCc1cccnc1)c1cc(C(=O)Nc2ccccc2)n(-c2ccc(Cl)cc2)n1,0.0
COc1ccc(-n2nc(C(=O)NCc3cccnc3)cc2C(=O)Nc2ccccc2)cc1,0.0
Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1,0.0
Cc1c(-c2cccc(Oc3ccccc3)c2)nc2ccc(F)cc2c1C(=O)[O-],0.0
FC(F)(F)Oc1ccc(NC(=S)c2cnoc2C2CC2)cc1,0.0
N#C/C(C(=O)C1CC1)=C(/[O-])Nc1ccc(OC(F)(F)F)cc1,0.0
Cc1c(Oc2cccc(-c3ccccc3)c2)nc2ccc(F)cc2c1C(=O)[O-],0.0
Cc1c(Nc2cccc(-c3ccccc3)c2)nc2ccc(F)cc2c1C(=O)[O-],0.0
N#C/C(C(=O)C1CC1)=C(/[O-])Nc1ccc(C(F)(F)F)cn1,0.0
O=C(Nc1cc(Cl)cc(Cl)c1)Nc1ccccc1C(=O)[O-],0.0
O=C([O-])c1c2c(nc3ccc(F)cc13)-c1cccc(Oc3ccccc3)c1CC2,0.0
N#C/C(C(=O)C1CCC1)=C(/[O-])Nc1ccc(C(F)(F)F)cc1,0.0
O=C([O-])C1=C(C(=O)Nc2ccc(OCc3c(F)cccc3Cl)c(Cl)c2)CCC1,0.0
Cc1c(OCc2cccc(-c3ccccc3)c2)nc2ccc(F)cc2c1C(=O)[O-],0.0
Cc1c(-c2cn(C)c3c(-c4cccc(C(F)(F)F)c4)cccc23)nc2ccc(F)cc2c1C(=O)[O-],0.0
O=C([O-])c1c2c(nc3ccc(F)cc13)-c1ccc(-c3ccoc3)cc1CC2,0.0
CCCCCCc1ccc(-c2nc3ccc(F)cc3c(C(=O)[O-])c2C)cc1,0.0
CC(=O)/C(C#N)=C(\[O-])Nc1ccc(-c2ccccc2)cc1,0.0
Cc1c(-c2cccc3c(-c4ccccc4)cccc23)nc2ccc(F)cc2c1C(=O)[O-],0.0
O=C([O-])c1c(O)c(-c2ccc(Oc3ccccc3)cc2)nc2ccc(F)cc12,0.0
CC(=O)/C(C#N)=C(\[O-])Nc1ccc(-c2ccccc2Cl)c(Cl)c1,0.0
COc1cccc(-c2cccc3c(-c4nc5ccc(F)cc5c(C(=O)[O-])c4C)cn(C)c23)c1,0.0
COc1ccc(-n2nc(C(=O)NCc3ccccc3)cc2C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)cc1,0.0
C=CCC(=O)/C(C#N)=C(\[O-])Nc1ccc(C(F)(F)F)cc1,0.0
Cc1c(N2CCc3c(-c4ccccc4F)cccc32)nc2ccc(F)cc2c1C(=O)[O-],0.0
N#C/C(C(=O)C1CC1)=C(/[O-])Nc1ccc(/C=C/c2ccc(Cl)cc2)cc1,0.0
Cc1ccccc1-c1ccc2c(c1)CCc1c-2nc2ccc(F)cc2c1C(=O)[O-],0.0
O=C(Nc1c(F)cc(-c2cccc(OC(F)(F)F)c2)cc1F)c1ccsc1C(=O)[O-],0.0
O=C([O-])c1c2c(nc3ccc(F)cc13)-c1ccc(-c3ccccc3)cc1S(=O)(=O)C2,0.0
O=C([O-])C1=C(C(=O)Nc2ccc(OCc3c(F)cccc3Cl)c(Cl)c2)COC1,0.0
Cc1c(N2CCc3c(-c4ccccc4)cccc32)nc2ccc(F)cc2c1C(=O)[O-],0.0
Cc1c(-c2cn(C)c3c(-c4ccccc4)cccc23)nc2ccc(F)cc2c1C(=O)[O-],0.0
N#C/C(C(=O)C1CC1)=C(/[O-])Nc1ccc(SC(F)(F)F)cc1,0.0
O=C([O-])c1c2c(nc3ccc(F)cc13)-c1ccc(-c3ccccc3)cc1CC2,0.0
Cc1c(-c2ccc(Oc3ccccc3)cc2)nc2ccc(F)cc2c1C(=O)[O-],0.0
O=C(CCCOc1ccc([C@H]2CC[NH2+]C[C@@H]2OCc2ccc3ccccc3c2)cc1)c1ccccc1,0.0
O=C(OCCOc1ccc([C@H]2CC[NH2+]C[C@@H]2OCc2ccc3ccccc3c2)cc1)c1ccccc1,0.0
O=C(OCCOc1ccc([C@H]2CC[NH2+]C[C@@H]2OCc2ccc3ccccc3c2)cc1)c1cccnc1,0.0
c1ccc(OCCOCc2ccc([C@H]3CC[NH2+]C[C@@H]3OCc3ccc4ccccc4c3)cc2)cc1,0.0
c1ccc(OCCCOCc2ccc([C@H]3CC[NH2+]C[C@@H]3OCc3ccc4ccccc4c3)cc2)cc1,0.0
CCc1[nH+]c(N)nc(N)c1-c1ccc2c(c1)N(CCNC(C)=O)C(=O)C1(CC1)O2,0.0
c1ccc(-c2noc(COc3ccc([C@H]4CC[NH2+]C[C@@H]4OCc4ccc5ccccc5c4)cc3)n2)cc1,0.0
c1ccc(COCCOc2ccc([C@H]3CC[NH2+]C[C@@H]3OCc3ccc4ccccc4c3)cc2)cc1,0.0
c1ccc(COCCOCc2ccc([C@H]3CC[NH2+]C[C@@H]3OCc3ccc4ccccc4c3)cc2)cc1,0.0
COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COc2ccc3cccnc3c2)cc1,0.0
COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COCc2cccnc2)cc1,0.0
c1cncc(-c2noc(COc3ccc([C@H]4CC[NH2+]C[C@@H]4OCc4ccc5ccccc5c4)cc3)n2)c1,0.0
COc1ccccc1COCCCOc1ccc([C@H]2CC[NH2+]C[C@@H]2OCc2ccc3cccnc3c2)cc1,0.0
c1ccc(CCOCCOc2ccc([C@H]3CC[NH2+]C[C@@H]3OCc3ccc4ccccc4c3)cc2)cc1,0.0
c1ccc(COCCCCOc2ccc([C@H]3CC[NH2+]C[C@@H]3OCc3ccc4ccccc4c3)cc2)cc1,0.0
CCc1[nH+]c(N)nc(N)c1-c1ccc2c(c1)N(CCCCC(=O)OC)CCC2,0.0
c1ccc(COCCCOc2ccc([C@H]3CC[NH2+]C[C@@H]3OCc3ccc4ccccc4c3)cc2)nc1,0.0
c1ccc(OCCCCOc2ccc([C@H]3CC[NH2+]C[C@@H]3OCc3ccc4ccccc4c3)cc2)cc1,0.0
c1ccc(COCCCOCc2ccc([C@H]3CC[NH2+]C[C@@H]3OCc3ccc4ccccc4c3)cc2)cc1,0.0
COc1ccccc1COCCCOc1ccc([C@H]2CC[NH2+]C[C@@H]2OCc2ccc3c(c2)NCCC3)cc1,0.0
C[C@H]([NH2+][C@H](CCc1ccccc1)C(=O)[O-])C(=O)N1CCC[C@H]1C(=O)[O-],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
COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COc2ccc3ccccc3c2)cc1,0.0
COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COCc2ccc(Cl)c(C(F)(F)F)c2)cc1,0.0
COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@H]2COc2ccc3c(c2)NCCC3)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
Cc1ccc(NC(=O)Cc2ccccc2)cc1C(=O)N[C@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C,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
COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@@H](C)C(=O)NCCc2ccccn2)C(C)C)ccc1OC,0.0
COc1ccccc1COCCCOc1ccc([C@H]2CC[NH2+]C[C@@H]2OCc2cc(OC)c3ccccc3c2OC)cn1,0.0
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
CCC[C@@H](O[P@](=O)(CCCc1ccccc1)OCC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)C1CC1,0.0
COCCCOc1cc(C[C@H](C[C@@H]([NH3+])[C@H](O)C[C@@H](C)C(=O)NCCCc2nc(C)no2)C(C)C)ccc1OC,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
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
CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C,0.0
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]([NH3+])C[C@H](Cc1ccc(OC)c(OCc2ccncc2)c1)C(C)C,0.0
COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@@H](C)C(=O)NCCNC(C)=O)C(C)C)ccc1OC,0.0
C[C@H](N[P@@](=O)([O-])Oc1ccccc1)C(=O)N1CCC[C@H]1C(=O)[O-],0.0
CC1=C(C(=O)Nc2ccc3[nH]ncc3c2)[C@@H](c2ccc(F)cc2)NC(=O)N1,0.0
c1ccc2c(c1)CC(Nc1nc(Nc3ccncc3)nc(N3CCC[NH2+]CC3)n1)C2,0.0
c1ccc2c(c1)CC(Oc1nc(Nc3ccncc3)nc(N3CC[NH2+]CC3)n1)C2,0.0
Nc1nonc1-c1nc2ccccc2n1C1CCCCC1,0.0
CC1=NC(c2cnccn2)=N[C@H](c2ccc(F)cc2)/C1=C(\[O-])Nc1ccc2n[nH]cc2c1,0.0
c1ccc2c(c1)CC(Nc1cc(Nc3ccncc3)nc(N3CC[NH2+]CC3)n1)C2,0.0
CC1=NC(c2ccccn2)=N[C@H](c2ccc(F)cc2)/C1=C(\[O-])Nc1ccc2[nH]ncc2c1,0.0
c1ccc2c(c1)CC(Nc1cc(N3CC[NH2+]CC3)[nH+]c(Nc3ccncc3)n1)C2,0.0
O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H](Nc3ccc4[nH]ncc4c3)C2)c1,0.0
c1ccc2c(c1)CC(Nc1nc(Nc3ccncc3)nc(N3CC[NH2+]CC3)n1)C2,0.0
c1ccc2c(c1)CC[C@@H](Nc1nc(Nc3ccncc3)nc(N3CC[NH2+]CC3)n1)C2,0.0
Clc1ccc(C[N@@H+]2CCC[C@@H](Nc3cccc4cnccc34)C2)cc1,0.0
c1ccc(CNc2nc(Nc3ccncc3)nc(N3CC[NH2+]CC3)n2)cc1,0.0
C[NH2+]CCN(C)c1nc(Nc2ccncc2)nc(NC2Cc3ccccc3C2)n1,0.0
Nc1nonc1-c1nc2ccccc2n1C1CCCC1,0.0
c1cc(Nc2nc(NC3CCCC3)nc(N3CC[NH2+]CC3)n2)ccn1,0.0
c1ccc(CCNc2nc(Nc3ccncc3)nc(N3CC[NH2+]CC3)n2)cc1,0.0
c1ccc(C[N@@H+]2CCC[C@@H](Oc3ccc4[nH]ncc4c3)C2)cc1,0.0
Nc1nonc1-c1nc2ccccc2n1CC1CCC1,0.0
CC(C)CC[N@@H+]1CCC[C@@H](Nc2cccc3cnccc23)C1,0.0
C[C@@H](/N=C1\C(=O)C(=O)[C@H]1Nc1cc[nH+]cc1)c1ccccc1,0.0
Clc1cccc(C[N@@H+]2CC[C@@H](Nc3ccc4[nH]ncc4c3)C2)c1,0.0
Nc1ccc2c(c1)nc(-c1nonc1N)n2C1CCC1,0.0
Cc1c(-c2ccnc(N)n2)sc2ccc(Oc3cccc(O)c3)cc12,0.0
Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4ccccc4)c3)cc12,0.0
c1ccc(C[N@H+]2CC[C@H](Oc3ccc4[nH]ncc4c3)CC2)cc1,0.0
c1cncc(C[N@@H+]2CCC[C@@H](Nc3ccc4[nH]ncc4c3)C2)c1,0.0
CCn1c(-c2nonc2N)nc2c(-c3ccoc3)ncc(OCCC[NH3+])c21,0.0
O=C(NCc1c(Cl)cccc1Cl)Nc1ccc2[nH]ncc2c1,0.0
CCn1c(-c2nonc2N)nc2c(-c3ccc[nH]3)ncc(OCCC[NH3+])c21,0.0
c1ccc(C[N@@H+]2CCC[C@@H](Nc3ccc4[nH]ncc4c3)C2)nc1,0.0
CCn1c(-c2nonc2N)nc2c(-c3cc[nH]c3)ncc(OCCC[NH3+])c21,0.0
c1ccc(C[N@H+]2CC[C@H](Nc3cccc4cnccc34)CC2)cc1,0.0
O=C(Nc1ccc2[nH]ncc2c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1,0.0
CCn1c(-c2nonc2N)nc2c(-c3cn[nH]c3)ncc(OCCC[NH3+])c21,0.0
c1coc(C[N@@H+]2CCC[C@@H](Nc3ccc4[nH]ncc4c3)C2)c1,0.0
CCn1c(-c2nonc2N)nc2cncc(CNC3CC[NH2+]CC3)c21,0.0
CCn1c(-c2nonc2N)nc2cncc(C(=O)NC3CC[NH2+]CC3)c21,0.0
CCn1c(-c2nonc2N)nc2cncc(C(=O)N3CC[NH2+]CC3)c21,0.0
Nc1nonc1-c1nc2ccccc2n1CC1CC1,0.0
CC1=C(/C=C/c2ccccc2/C=C/C(C)=C/C(=O)[O-])C(C)(C)CCC1,0.0
Cc1oc(-c2ccc3ccccc3c2)nc1COc1ccc(CCC[C@H]2OC(=O)NC2=O)cc1,0.0
CC1=C(/C=C/c2occc2/C=C/C(C)=C/C(=O)[O-])C(C)(C)CCC1,0.0
CC(/C=C/C1=C(c2cc3c(cc2C)C(C)(C)CCC3(C)C)CCC1)=C\C(=O)[O-],0.0
CC(/C=C/C1=C(c2ccc3c(c2)C(C)(C)CCC3(C)C)CCC1)=C\C(=O)[O-],0.0
CC(/C=C/[C@]12CCC[C@@]1(c1ccc3c(c1)C(C)(C)CCC3(C)C)C2)=C\C(=O)[O-],0.0
C=C1C[C@H](c2ccc3c(c2)C(C)(C)CCC3(C)C)[C@@H](/C=C/C(C)=C/C(=O)[O-])C1,0.0
Cc1oc(/C=C/C(=O)[O-])cc1Cc1ccc2c(c1)C(C)(C)CCC2(C)C,0.0
Cc1oc(-c2ccccc2)nc1COc1ccc(CCC[C@H]2OC(=O)NC2=O)cc1,0.0
C/C(=C\c1ccc(C(=O)[O-])o1)c1cc2c(cc1C)C(C)(C)CCC2(C)C,0.0
CC(/C=C/[C@@H]1CCCN1c1ccc2c(c1)C(C)(C)CCC2(C)C)=C\C(=O)[O-],0.0
CC(=C/C=C\C(C)=C\C(=O)[O-])/C=C1\CCCc2ccccc21,0.0
Cc1sc(-c2ccccc2)nc1COc1ccc(CCC[C@H]2OC(=O)NC2=O)cc1,0.0
CC1(C)CCC(C)(C)c2cc(Cc3coc(/C=C/C(=O)[O-])c3)ccc21,0.0
CC1(C)CCC(C)(C)c2cc([C@@H]3CCCc4oc(/C=C/C(=O)[O-])cc43)ccc21,0.0
CC(/C=C/C1=C(c2cc(C(C)C)cc(C(C)C)c2OCC(F)(F)F)CCC1)=C\C(=O)[O-],0.0
CC(/C=C/[C@H]1CCCN1c1ccc2c(c1)C(C)(C)CCC2(C)C)=C\C(=O)[O-],0.0
CC1(C)CCC(C)(C)c2cc([C@@H]3CCCc4oc(/C=C/C(=O)[O-])nc43)ccc21,0.0
CN1Cc2oc(/C=C/C(=O)[O-])nc2[C@H](c2ccc3c(c2)C(C)(C)CCC3(C)C)C1,0.0
COc1cc(CCC[C@H]2OC(=O)NC2=O)ccc1OCc1nc(-c2ccco2)oc1C,0.0
CC(/C=C/C1=C(c2cc(C(C)C)cc(C(C)C)c2OCC(F)F)CCC1)=C\C(=O)[O-],0.0
CCc1ccc(CCOc2ccc(C[C@H]3SC(=O)NC3=O)cc2)nc1,0.0
C=C1C[C@@H](/C=C/C(C)=C/C(=O)[O-])[C@@H](c2ccc3c(c2)C(C)(C)CCC3(C)C)C1,0.0
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
CC(/C=C/c1sccc1-c1cc(C(C)C)cc(C(C)C)c1OCC(F)F)=C\C(=O)[O-],0.0
COc1cc2c(cc1/C(C)=C\C=C\C(C)=C\C(=O)[O-])C(C)(C)CCC2(C)C,0.0
CCOC(=O)c1ccc(OC(=O)c2ccc3c(c2)C(C)(C)CCN3C(C)C)cc1,0.0
CC(/C=C/[C@@H]1C[C@@]1(C)c1ccc2c(c1)C(C)(C)CCC2(C)C)=C\C(=O)[O-],0.0
CC(/C=C/[C@H]1CCC[C@@H]1c1ccc2c(c1)C(C)(C)CCC2(C)C)=C\C(=O)[O-],0.0
CC1(C)CCC(C)(C)c2cc(Sc3ccc(C(=O)[O-])cc3)ccc21,0.0
CC1(C)CCC(C)(C)c2cc([C@@H]3CCCc4oc(/C=C5/SC(=O)NC5=O)cc43)ccc21,0.0
CCN1C(=O)C(C)(C)Oc2cc(C)c(-c3cc(/C(C)=C/C(=O)[O-])ccc3OC(F)(F)F)cc21,0.0
C/C(=C/C(=O)[O-])c1cc2c(o1)CCC[C@@H]2c1ccc2c(c1)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
CC1(C)CCC(C)(C)c2cc(C3(c4ccc(C(=O)[O-])cc4)SCCCS3)ccc21,0.0
CC1(C)CCC(C)(C)c2cc(C3(c4ccc(C(=O)[O-])cc4)OCCO3)ccc21,0.0
Nc1ncnc2c1ncn2[C@H]1O[C@H](C(=O)OCc2ccccc2)[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(=C\F)[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
Nc1ncnc2c1ncn2[C@@H]1C=C(CO)C(=O)[C@@H]1O,0.0
C=C1[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1n1cnc2c(N)ncnc21,0.0
Nc1nccc2c1ncn2[C@@H]1C=C(CO)[C@@H](O)[C@@H]1O,0.0
Nc1ncnc2c1ncn2[C@@H]1C/C(=C/F)[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
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]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
CC(C)COC(=O)[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,0.0
C=C[C@H]1C[C@@H](n2cnc3c(N)ncnc32)[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@H](C(=O)[O-])[C@@H](O)[C@H]1O,0.0
Nc1nccc2c1ncn2[C@@H]1C[C@@H](CO)[C@@H](O)[C@@H]1O,0.0
Nc1ncnc2c1ncn2[C@@H]1C[C@@H](CO)[C@@H](O)[C@@H]1O,0.0
Nc1ncnc2c1ncn2[C@@H]1C=C(CO)[C@@H](O)[C@H]1O,0.0
Nc1ncnc2c1ncn2[C@@H]1C[C@@H](O)[C@@H](O)[C@@H]1O,0.0
Nc1ncnc2c1ncn2[C@H]1O[C@H](CF)[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
CCO/N=C/[C@H]1O[C@H](n2cnc3c(N)ncnc32)[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
CCCCOC(=O)[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=O)[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
C[C@H]1C[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=C/Cl)[C@@H](O)[C@H]1O,0.0
Nc1ncnc2c1ncn2[C@@H]1C[C@@H](C=O)[C@@H](O)[C@H]1O,0.0
C#C[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,0.0
Nc1ncnc2c1ncn2[C@@H]1CC[C@@H](O)[C@H]1O,0.0
Nc1ncnc2c1ncn2[C@H]1O[C@H](C=O)[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]1[C@@H](O)[C@H](O)[C@H](CO)[C@@H]1F,0.0
Nc1ncnc2c1ncn2[C@H]1O[C@H](/C=N/OCc2ccccc2)[C@@H](O)[C@H]1O,0.0
Nc1ncnc2c1ncn2[C@@H]1C=C[C@@H](O)[C@H]1O,0.0
CO/N=C/[C@H]1O[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
Nc1nccc2c1ncn2C/C=C\[C@@H](O)CO,0.0
Nc1ncnc2c1ncn2CC=C(CO)CO,0.0
Nc1ncnc2c1ncn2C/C=C/[C@@H](O)CO,0.0
Oc1ccc(C[C@@]2(O)COc3c(ccc(O)c3O)[C@H]2O)cc1O,0.0
Nc1ncnc2c1c(-c1ccccc1)cn2[C@H](CO)c1ccccc1,0.0
Oc1cccc(Nc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)c1,0.0
Cc1cc(Nc2nc(Nc3ccccc3)[nH+]c3ccccc23)n[nH]1,0.0
Oc1cccc(-c2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)c1,0.0
Cc1cc(Nc2nc(-c3ccccc3)nc3ccccc23)[nH]n1,0.0
O=C(c1ccc2ccccc2c1)n1c2cc(O)c(O)cc2c2ccc(O)c(O)c21,0.0
NS(=O)(=O)c1ccc(Nc2nc(N3CCOCC3)nc3[nH]cnc23)cc1,0.0
Nc1ncnc2c1c(-c1cnc3[nH]ccc3c1)nn2C1CCCC1,0.0
Oc1cc2c(cc1O)[C@@H]1c3ccc(O)c(O)c3OC[C@]1(O)C2,0.0
O=C1NC(=O)c2c1c1[nH]cnc1c1[nH]c3ccccc3c21,0.0
Nc1ncnc2c1c(-c1cccc(O)c1)cn2[C@H]1CC[N@H+](CCO)CC1,0.0
O=C(CCc1ccccc1)n1c2cc(O)c(O)cc2c2ccc(O)c(O)c21,0.0
O=c1[nH]c2cc(O)c(O)cc2c2ccc(O)c(O)c12,0.0
Oc1cc2c3ccc(O)c(O)c3n(CCCc3ccccc3)c2cc1O,0.0
Cc1cc(Nc2nc(-c3ccncc3)nc3ccccc23)n[nH]1,0.0
Nc1ncnc2c1c(-c1ccccc1)nn2-c1ccccc1,0.0
Nc1ncnc2c1c(-c1cccc(O)c1)cn2C1CCCC1,0.0
O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccccc1OCc1ccccc1,0.0
Nc1ncnc2c1c(-c1cccc(O)c1)cn2C1CCC1,0.0
CC(C)(C)n1nc(Cc2cccc3ccccc23)c2c(N)ncnc21,0.0
Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1,0.0
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1ncccc1-c1ccncn1,0.0
Nc1cc2cc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)ccc2c[nH+]1,0.0
Cc1ccc(C(=O)Nc2cccc(C(C)C)c2)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1,0.0
CC[NH+](CC)CCNc1cc(Nc2cc(O)ccc2C)nc(-n2cnc3ccccc32)n1,0.0
CC(C)(C)n1nc(-c2cccc3ccccc23)c2c(N)ncnc21,0.0
COc1cccc(-c2cnc(Nc3c(C)cccc3C)c3cncn23)c1,0.0
Cc1cccc(Cl)c1Nc1nc2ccccc2n1-c1cc(Nc2ccc(CCN3CCOCC3)cn2)ncn1,0.0
CC(C)(C)N1CN(c2ccc(Cl)cc2)C(N)=C2C=NN=C21,0.0
N#Cc1cnc2ccc(-c3ccc(C[NH3+])cc3)cc2c1N[C@@H]1C[C@H]1c1ccccc1,0.0
COc1cc(Oc2ccncc2)c2c(Nc3c(Cl)ccc4c3OCO4)ncnc2c1,0.0
Cc1ccc(NC(=O)c2cc(C3CC3)n[nH]2)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1,0.0
Cc1ccn(CCC2CCCC2)c(=O)c1-c1ccc2nc(N)ncc2c1,0.0
C[NH+]1CCN(CCCNc2ncc3cc(-c4c(Cl)cccc4Cl)c(NC(=O)Nc4ccccc4)nc3n2)CC1,0.0
C[NH+]1CCN(CCCNc2ncc3cc(-c4c(Cl)cccc4Cl)c([N-]S(=O)(=O)c4ccccc4)nc3n2)CC1,0.0
Nc1ncnc2c1c(-c1cccc(O)c1)cn2-c1ccc(OCC[NH2+]CCO)cc1,0.0
Cc1cccc(-c2nc(Nc3ccc4[nH]ncc4c3)c3ccccc3n2)n1,0.0
Cc1cccc(-c2nc(Nc3cccc(C(N)=O)c3)c3ccccc3n2)n1,0.0
Cc1cccc(-c2nc(Nc3ccc4ncsc4c3)c3ccccc3n2)n1,0.0
Cc1cccc(-c2nn3c(c2-c2ccc4ncn(C)c4c2)CCC3)n1,0.0
Cc1cccc(-c2nn3c(c2-c2ccc4nc[nH]c4c2)CCC3)n1,0.0
Cc1nc(-c2nc(N3CCCCC3)[nH]c2-c2ccc3ncnn3c2)ccc1F,0.0
[H]/[O+]=C(C)/N=c1\[nH]c(-c2ccc3ncnn3c2)c(-c2cccc(C)n2)[nH]1,0.0
c1ccc(Cn2cc(-c3ccnc4ccccc34)c(-c3ccccn3)n2)cc1,0.0
CCc1cccc(-c2c(-c3ccc4nccnc4c3)n(C)n(C)c2=O)c1,0.0
Cc1cccc(-c2c(-c3ccc4nccnc4c3)n(C)n(C)c2=O)n1,0.0
Clc1cccc(-c2nc(Nc3ccncc3)c3ccccc3n2)c1,0.0
Cc1cccc(-c2nn3c(c2-c2ccc(F)c(F)c2)CCC3)n1,0.0
FC(F)(F)c1cccc(-c2n[nH]cc2-c2ccnc3ccccc23)c1,0.0
Cc1cccc(-c2[nH]c(C(C)(C)C)nc2-c2ccc3nccnc3c2)n1,0.0
Cc1nc(-c2[nH+]c(N)[nH]c2-c2ccc3nccnc3c2)ccc1F,0.0
c1ccc(-c2nc(Nc3ccncc3)c3ccccc3n2)cc1,0.0
c1ccc(-c2nc3n(c2-c2ccc4c(c2)OCO4)CCC3)nc1,0.0
Cc1cccc(-c2cc(Nc3ccncc3)c3ccccc3n2)n1,0.0
Cn1c(-c2ccc3nccnc3c2)c(-c2ccccn2)c(=O)n1C,0.0
Cc1cccc(-c2nc(Nc3ccc4c(cnn4C)c3)c3ccccc3n2)n1,0.0
Cc1cccc(-c2nc(Nc3ccncc3)c3ccccc3n2)n1,0.0
Cc1cc(Nc2nc(-c3cccc(C)n3)nc3ccccc23)ccn1,0.0
Cc1cccc(-c2nn3c(c2-c2ccc(O)cc2)CCC3)n1,0.0
Cc1cccc(-c2nc(Nc3ccncn3)c3ccccc3n2)n1,0.0
[H]/[O+]=C(C)\N=c1/[nH]c(-c2ccc3ncnn3c2)c(-c2ccc(F)c(C)n2)[nH]1,0.0
Cc1cccc(-c2n[nH]cc2-c2ccc3ncccc3n2)n1,0.0
Cc1cccc(-c2nn(Cc3cccc(C(N)=O)c3)cc2-c2ccc3ncccc3c2)n1,0.0
Cc1cccc(-c2[nH]ncc2-c2ccnc3ccccc23)n1,0.0
Cc1cccc(-c2[nH]c(Cc3cccc(C(N)=O)c3)nc2-c2ccc3ncccc3c2)n1,0.0
Cc1cccc(-c2nc(N)sc2-c2ccc3nccnc3c2)n1,0.0
Cc1cccc(-c2cn(Cc3cccc(C(N)=O)c3)nc2-c2ccc3ncccc3c2)n1,0.0
Cc1cccc(-c2[nH]c(CNc3cccc(C(N)=O)c3)nc2-c2ccc3nccnc3c2)n1,0.0
Cc1cccc(-c2[nH]c(NCc3cccc(C#N)c3)[nH+]c2-c2ccc3c(c2)OCO3)n1,0.0
C[NH+]1CCN(CCCOc2ccc3c(-c4c(-c5ccccn5)nn5c4CCC5)ccnc3c2)CC1,0.0
c1ccc(-c2n[nH]cc2-c2ccc3ncccc3n2)nc1,0.0
Cc1cccc(-c2[nH]c(CNc3cccc(C(N)=O)c3)nc2-c2ccc3c(c2)OCO3)n1,0.0
Cc1cccc(-c2[nH]c(Cc3cccc(C#N)c3)nc2-c2ccc3ncccc3c2)n1,0.0
Cc1cccc(-c2nn(Cc3cccc(C(N)=O)c3)cc2-c2ccc3ncccc3n2)n1,0.0
Brc1cccc(-c2[nH]ncc2-c2ccnc3ccccc23)n1,0.0
Cc1cccc(-c2cn(Cc3cccc(C#N)c3)nc2-c2ccc3ncccc3c2)n1,0.0
Cc1cccc(-c2[nH]c(Cc3cccc(C(N)=O)c3)nc2-c2ccc3nccnc3c2)n1,0.0
CCc1cccc(-c2nn3c(c2-c2ccnc4ccccc24)CCC3)n1,0.0
Cc1cccc(-c2nn3c(c2-c2ccnc4cc(Cl)ccc24)CCC3)n1,0.0
Cc1cccc(-c2nn3c(c2-c2ccc(O)cc2)CCC3)n1,0.0
Cc1cccc(-c2nn3c(c2-c2ccc(F)cc2)CCC3)n1,0.0
Clc1ccc2c(-c3c(-c4ccccn4)nn4c3CCC4)ccnc2c1,0.0
COc1ccc(-c2c(-c3cccc(C)n3)nn3c2CCC3)cc1,0.0
Cc1cc2[nH]c(C(=O)[O-])cc(=O)c2c(C)c1Oc1ccc(O)c(C(C)C)c1,0.0
Cc1cc2nc(C(=O)[O-])ccc2c(C)c1Oc1ccc(O)c(C(C)C)c1,0.0
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
CC(C)c1cc(Oc2c(Br)cc3c(c2Br)C[C@@H](C(=O)[O-])C3)ccc1O,0.0
CC(C)c1cc(Oc2c(Br)cc3[nH]c(C(=O)[O-])cc(=O)c3c2Br)ccc1O,0.0
Cc1cc(C[C@H]([NH3+])C(=O)[O-])cc(C)c1Cc1ccc(O)c(C(C)C)c1,0.0
Cc1cc(OCC(=O)[O-])cc(C)c1Cc1ccc(O)c(C(C)C)c1,0.0
CC(C)c1cc(Oc2c(Cl)cc3[nH]c(C(=O)[O-])cc3c2Cl)ccc1O,0.0
Cc1cc(CCC(=O)[O-])cc(C)c1Cc1ccc(O)c(C(C)C)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)N4[C@@H]5CC[C@H]4CC4(C5)OCCO4)c3)c(Cl)c2)c(=O)[nH]1,0.0
O=C([O-])C(=O)Nc1cc(Cl)c(Oc2ccc(O)c(Cc3ccc(Cl)cc3)c2)c(Cl)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
CC(C)c1cc(Oc2c(Br)cc3[nH]c(C(=O)[O-])cc3c2Br)ccc1O,0.0
Cc1cc(OCC(=O)[O-])cc(C)c1Cc1cc(-c2ccc([N+](=O)[O-])cc2)c(O)c(C(C)C)c1,0.0
Cc1cc(NC(=O)C(=O)OCc2ccccc2)cc(C)c1Oc1ccc(O)c(C(C)C)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
Cc1cc(N[C@H](Cc2ccccc2)C(=O)[O-])cc(C)c1Oc1ccc(O)c(C(C)C)c1,0.0
CC(C)c1cc(Oc2c(Br)cc(CC(=O)[O-])cc2Br)ccc1O,0.0
CCCCCCOc1ccc(C(=O)CCN2CCN(C(C)=O)CC2)c(Cl)c1Cl,0.0
CC(C)c1cc(Oc2c(Cl)cc(N[C@H](Cc3ccccc3)C(=O)[O-])cc2Cl)ccc1O,0.0
Cc1cc(NC(=O)C(=O)[O-])cc(C)c1Oc1ccc(O)c(-c2ccccc2Cl)c1,0.0
O=C(NC1CCCCC1)c1cc(Oc2c(Cl)cc(-n3ncc(=O)[nH]c3=O)cc2Cl)ccc1O,0.0
CCc1cc(Oc2c(I)cc(C[C@H]3NC(=O)NC3=O)cc2I)ccc1O,0.0
O=C([O-])Cc1cc(Br)c(OCC2CCCCC2)c(Br)c1,0.0
CC(C)c1cc(Oc2c(Br)cc(CCC(=O)[O-])cc2Br)ccc1O,0.0
O=c1cnn(-c2cc(Cl)c(Oc3ccc(O)c(S(=O)(=O)NC4CCC4)c3)c(Cl)c2)c(=O)[nH]1,0.0
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
O=c1cnn(-c2cc(Cl)c(Oc3ccc(O)c(S(=O)(=O)n4ccc5ccccc54)c3)c(Cl)c2)c(=O)[nH]1,0.0
Cc1cc(NC(=O)C(=O)[O-])cc(C)c1Oc1ccc(O)c(-c2cccc(C(F)(F)F)c2)c1,0.0
O=C(c1cc(Oc2c(Cl)cc(-n3ncc(=O)[nH]c3=O)cc2Cl)ccc1O)N1CCc2ccccc2C1,0.0
O=C(NC1CCC1)c1cc(Oc2c(Cl)cc(-n3ncc(=O)[nH]c3=O)cc2Cl)ccc1O,0.0
Cc1cc(-n2ncc(=O)[nH]c2=O)cc(Cl)c1Oc1ccc(O)c(S(=O)(=O)N2CCOCC2)c1,0.0
O=C([O-])CCc1cc(Br)c(OCc2cccc(Br)c2)c(Br)c1,0.0
CCCCCCS(=O)(=O)c1ccc(C(=O)CCN2CCOCC2)c(Cl)c1,0.0
Cc1cc2oc(Cc3cccc(Cl)c3)nc2c(NCC(F)(F)c2cccc[n+]2[O-])n1,0.0
NC(=[NH2+])NOCCNC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2ccc(F)c3ccccc23)c1F,0.0
FC(F)(CNc1cccc2oc(Cc3ccccc3-n3cnnn3)nc12)c1ccccn1,0.0
Cc1ccccc1-c1ccc2c(C)cc(Oc3ccc(C(N)=[NH2+])cc3)nc2c1,0.0
Cc1cc2oc(Cc3cccc(Cl)c3)nc2c(NCC(F)(F)c2ccccn2)n1,0.0
NC(=[NH2+])NOCCNC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2cccc3cnccc23)c1F,0.0
NC(=[NH2+])NOCCNC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2cccc3cccnc23)c1F,0.0
Cc1cc(OCCCON=C(N)N)cc(OS(=O)(=O)c2ccccc2S(=O)(=O)c2ccccc2)c1,0.0
Cc1cc(OCC2CCN(C(N)=[NH2+])CC2)cc(OS(=O)(=O)c2ccccc2Cl)c1,0.0
FC(F)(CNc1cccc2oc(Cc3cc(Cl)ccc3Cl)nc12)c1ccccn1,0.0
[O-][n+]1ccccc1C(F)(F)CNc1nccc2oc(Cc3ccccc3-n3cnnn3)nc12,0.0
CC1CCN(C(=O)N(Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1,0.0
CC1CCN(C(=O)[C@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2cccc3ccccc23)CC1,0.0
Cc1cc2oc(Cc3ccccc3-n3cncn3)nc2c(NCC(F)(F)c2cccc[n+]2[O-])n1,0.0
Cc1cc(OCCCON=C(N)N)cc(OS(=O)(=O)c2cccc3cnccc23)c1,0.0
CN(C(=O)[C@H](Cc1ccc([C@H]([NH3+])NN)cc1)NS(=O)(=O)Cc1ccccc1)C1CCCC1,0.0
NC(=[NH2+])c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC2CCCCC2)NS(=O)(=O)Cc2ccccc2)cc1,0.0
FC(F)(CNc1nccc2oc(Cc3ccccc3-n3cnnn3)nc12)[C@@H]1CCCC[NH2+]1,0.0
[NH3+][C@H]1CC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)CC2c3ccccc3CCc3ccccc32)CC1,0.0
CCCc1ccc(S(=O)(=O)N[C@@H](Cc2ccc(C(=[NH2+])NN)cc2)C(=O)N(C)C2CCCC2)cc1,0.0
Cc1cc2oc(Cc3cc(Cl)ccc3-n3cncn3)nc2c(NCC(F)(F)c2ccccn2)n1,0.0
CCN(CC)C(=O)c1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCCCC(N)=[NH2+])C(=O)N(S(=O)(=O)c4ccccc4)[C@H]2C3)c1,0.0
Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc2[nH]ccc2c1,0.0
[NH3+][C@H]1CC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)C[C@@H](c2ccccc2)c2cccnc2)CC1,0.0
N/C(=N\O)N1CCC(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)Cc2ccccc2)CC1,0.0
NC(=[NH2+])c1cccc(CN(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCCC2)c1,0.0
[NH3+][C@H]1CC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)C[C@@H](c2ccccc2)c2ccncc2)CC1,0.0
NC(=[NH2+])c1ccc2[nH]c(-c3cc(CC(N)=O)cc(Br)c3[O-])c(Cc3ccccc3)c2c1,0.0
CN(C(=O)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccc(C(=[NH2+])NN)cc1)C1CCCC1,0.0
[NH3+][C@H]1CC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)C[C@@H](c2ccccc2)c2ccccn2)CC1,0.0
Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc2nc[nH]c2c1,0.0
[NH3+][C@H]1CC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)C[C@@H](c2ccccc2)C2CCCCC2)CC1,0.0
Cc1cnc(NCCc2ccccn2)c(=O)n1CC(=O)NCc1ccc2[nH]ccc2c1,0.0
COc1cc([C@@H](O)C(=O)N2CCC[C@H]2C(=O)NC[C@H]2CC[C@H]([NH3+])CC2)ccc1O,0.0
NC(=[NH2+])c1ccc(C[C@@H](NC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1,0.0
Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc2[nH]ccc2n1,0.0
Cc1cccc(S(=O)(=O)Nc2ccc(C)n(CC(=O)NCCONC(N)=[NH2+])c2=O)c1,0.0
NC(=[NH2+])c1ccc(O)c(/C=C/CNC(=O)c2ccc(-c3cccc(S(N)(=O)=O)c3)cc2)c1,0.0
NC(=[NH2+])c1cccc(C(=O)N[C@@H](C(=O)N2CCC(Cc3ccccc3)CC2)c2ccccc2)c1,0.0
NC(=[NH2+])c1ccc2[nH]c(-c3cc(C(=O)[O-])cc(Br)c3O)c(Cc3ccccc3)c2c1,0.0
NC(=[NH2+])c1cccc(O[C@H]2N=C(Oc3cccc(C(N)=[NH2+])n3)CNC2=O)c1,0.0
NC(=[NH2+])c1ccc(-n2c3ccccc3c3ccc(OCc4ccc5ccc(C(N)=[NH2+])cc5c4)cc32)cc1,0.0
Cc1c(F)c(Oc2cccc(C(N)=[NH2+])c2)cc(Oc2cccc(C(N)=[NH2+])c2)c1F,0.0
NC(=[NH2+])c1cccc(Oc2ccc(NC(=O)c3ccccc3)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
NC(=[NH2+])c1ccc(-n2ccc3ccc(NCc4ccc5ccc(C(N)=[NH2+])cc5c4)cc32)cc1,0.0
NC(=[NH2+])Nc1ccc([C@H]2C/C(=C/I)OC(=O)[C@@H]2NC(=O)c2ccccc2)cc1,0.0
CC1CCN(C(=O)[C@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2cccc3ccccc23)CC1,0.0
NC(=[NH2+])c1ccc(N2CCCCN(c3cccc(C(N)=[NH2+])c3)C2=O)cc1,0.0
Cc1c(F)c(Oc2cccc(C(N)=[NH2+])c2)nc(N(C)c2cccc(C(N)=[NH2+])c2)c1F,0.0
NC(=[NH2+])c1cccc(C[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CC[NH2+]CC2)c1,0.0
CC(=O)N1CC(=O)C[C@H]1C(=O)N[C@@H](CCC[NH+]=C(N)N)C(=O)c1nc2ccccc2s1,0.0
CCOC(=O)[C@H](CCc1cccc(C(N)=[NH2+])c1)Cn1cnc2cc(C(N)=[NH2+])ccc21,0.0
FC(F)(CNc1nccc2oc(Cc3ccccc3-n3cnnn3)nc12)[C@@H]1CCCC[NH2+]1,0.0
NC(=[NH2+])c1ccc2cc(C(=O)Nc3ccc4c(c3)[C@@H](C3CCCC3)[NH2+]CC4)ccc2c1,0.0
NC(=[NH2+])c1ccc(CNC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)cc1,0.0
NC(=[NH2+])NCCC[C@H](NC(=O)C1CCCC1)C(=O)c1nc2ccccc2s1,0.0
CC(C)CCN(Cc1ccc2ccc(C(N)=[NH2+])cc2c1)C(=O)c1ccc2ccccc2c1,0.0
NC(=[NH2+])c1cccc(Oc2cncc(Oc3cccc(C(N)=[NH2+])n3)n2)c1,0.0
NC(=[NH2+])c1ccc(-n2ccc3ccc(NC(=O)c4cccc(C(N)=[NH2+])c4)cc32)cc1,0.0
NC(=[NH2+])c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(c3ccccc3)CC2)c1,0.0
CCN(CC)C(=O)c1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCCCC(N)=[NH2+])C(=O)N(S(=O)(=O)c4ccccc4)[C@H]2C3)c1,0.0
CN(C)C(=O)c1cccc(Oc2nc3c(c(Oc4cc(C(N)=[NH2+])ccc4O)n2)NC(=O)CN3)c1,0.0
NC(=[NH2+])c1ccc2cc(C(=O)Nc3ccc4c(c3)C(C3CCCC3)=NCC4)ccc2c1,0.0
CN1CC[NH+]=C1c1cccc(Oc2nc(Oc3cc(C(N)=[NH2+])ccc3O)c(F)c(O[C@H]3C[NH2+][C@H](C(=O)[O-])C3)c2F)c1,0.0
CCS(=O)(=O)c1cc(-c2cc(C(=O)Nc3cccc(OC4CCCC4)c3)cc3ccc(C(N)=[NH2+])cc23)co1,0.0
[NH3+]CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(Cc2ccc(OCCc3ccccc3)cc2)n1,0.0
COC(=O)C[C@H](CCc1ccc(NC(N)=[NH2+])cc1)c1cccc(C(N)=[NH2+])c1,0.0
CN(C)C(=O)c1cccc(Oc2cc(C(=O)[O-])cc(Oc3cc(C(N)=[NH2+])ccc3O)n2)c1,0.0
[NH3+][C@H]1CC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)C[C@@H](c2ccccc2)c2ccccn2)CC1,0.0
NC(=[NH2+])N1CCC(CC(=O)[C@@H]2Cc3cccc4c3N2C(=O)[C@@H](NS(=O)(=O)c2ccc3c(c2)CCO3)CC4)CC1,0.0
COc1cc([C@@H](Nc2ccc(C(N)=[NH2+])cc2)C(=O)[O-])ccc1OCc1ccccc1,0.0
Clc1cccc(Cc2nc3c(NCC[C@@H]4CCCC[NH2+]4)nccc3o2)c1,0.0
Cc1cn(-c2cccc(Oc3cc(C(=O)[O-])cc(Oc4cc(C(N)=[NH2+])ccc4O)n3)c2)cn1,0.0
CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC[NH+]=C(N)N)C(=O)c1nc2ccccc2s1,0.0
[NH3+][C@H]1CC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)C[C@@H](c2ccccc2)C2CCCCC2)CC1,0.0
CCOC(=O)C1(c2ccc3c(C)cc(Oc4ccc(C(N)=[NH2+])cc4)nc3c2)CCCC1,0.0
NC(=[NH2+])c1ccc(C[C@@H](NC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1,0.0
O=C(NCc1ccc(C(=O)OCN2C(=O)c3ccccc3S2(=O)=O)cc1)Nc1ccccc1,0.0
O=C(NCc1ccc(C(=O)OCN2C(=O)c3ccccc3S2(=O)=O)cc1)Oc1ccccc1,0.0
O=C(NCc1ccc(C(=O)OCN2C(=O)c3ccccc3S2(=O)=O)cc1)OCc1ccccc1,0.0
O=C(NCCc1ccccc1)c1ccc(C(=O)OCN2C(=O)c3ccccc3S2(=O)=O)cc1,0.0
CC(=O)N1CC(=O)C[C@H]1C(=O)N[C@@H](CCC[NH+]=C(N)N)C(=O)c1nc2ccccc2s1,0.0
O=C(CCCCNC(=O)OCc1ccccc1)OCN1C(=O)c2ccccc2S1(=O)=O,0.0
O=C(CCNC(=O)OCc1ccccc1)OCN1C(=O)c2ccccc2S1(=O)=O,0.0
NC(=[NH2+])c1ccc(C(=O)NCc2ccc(C(=O)NCCC(c3ccccc3)c3ccccc3)cc2)cc1,0.0
[NH3+]CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(Cc2ccc(OCCc3ccccc3)cc2)n1,0.0
CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC[NH+]=C(N)N)C(=O)c1nc2ccccc2s1,0.0
O=C(NCc1ccccc1)Nc1ccc(C(=O)OCN2C(=O)c3ccccc3S2(=O)=O)cc1,0.0
CC(=O)N1CC=C[C@H]1C(=O)N[C@@H](CCC[NH+]=C(N)N)C(=O)c1nc2ccccc2s1,0.0
O=C(CCCNC(=O)OCc1ccccc1)OCN1C(=O)c2ccccc2S1(=O)=O,0.0
O=C(Nc1ccc(C(=O)OCN2C(=O)c3ccccc3S2(=O)=O)cc1)OCc1ccccc1,0.0
[NH3+]Cc1ccc(CC[NH2+]CCNS(=O)(=O)c2ccc3ccccc3c2)cc1,0.0
[NH3+]CCCC[C@H](NC(=O)c1cccc(F)c1)C(=O)c1noc(Cc2ccc(C(=O)NCCc3cccc(Cl)c3)cc2)n1,0.0
NC(=[NH2+])c1ccc(NC(=O)CC2CCN(C(=O)NCCC(c3ccccc3)c3ccccc3)CC2)cc1,0.0
[NH3+]CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(Cc2ccc(C(=O)NCCCCc3ccccc3)cc2)n1,0.0
O=C([O-])[C@@H]1[C@@H](CC2CC[NH2+]CC2)C(=O)N1C(=O)N1CCN(C(=O)Cc2ccc3ccccc3c2)CC1,0.0
CC(=O)N1CC[C@H]1C(=O)N[C@@H](CCC[NH+]=C(N)N)C(=O)c1nc2ccccc2s1,0.0
NC(=[NH2+])c1ccc2oc(C(=O)N3CCN(C(=O)COc4ccc(OCC(=O)N5CCCCC5)cc4)CC3)cc2c1,0.0
[NH3+]Cc1ccc(CNC(=O)CNC(=O)OCc2ccc(COC(=O)NCC(=O)NCc3ccc(C[NH3+])cc3)cc2)cc1,0.0
O=C(CCc1ccccc1)Nc1ccc(C(=O)OCN2C(=O)c3ccccc3S2(=O)=O)cc1,0.0
[NH3+]Cc1ccc(CCC[NH2+]CCNS(=O)(=O)c2ccccc2)cc1,0.0
O=C(CCCC(=O)OCN1C(=O)c2ccccc2S1(=O)=O)NCc1ccc(Cl)c(Cl)c1,0.0
[NH3+]CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(Cc2ccc(C(=O)NCc3ccccc3)cc2)n1,0.0
[NH3+]CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(Cc2ccc(C(=O)NCCCc3ccccc3)cc2)n1,0.0
O=C([O-])[C@@H]1[C@@H](CC2CC[NH2+]CC2)C(=O)N1C(=O)N1CCN(C(=O)c2ccccc2CCc2ccccc2)CC1,0.0
Cc1c(Cl)nc(NCC2CC[NH2+]CC2)c(=O)n1CC(=O)Nc1cccc(C[NH3+])c1,0.0
O=C([O-])[C@@H]1[C@@H](CC2CC[NH2+]CC2)C(=O)N1C(=O)N1CCN(C(=O)CCCCCc2cccc3ccccc23)CC1,0.0
O=C(CCCCCNC(=O)OCc1ccccc1)OCN1C(=O)c2ccccc2S1(=O)=O,0.0
[NH3+]CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(Cc2ccc(C(=O)NCCc3ccccc3)cc2)n1,0.0
[NH3+]Cc1ccc(CCC[NH2+]CCNS(=O)(=O)c2ccc3c(c2)CCC3)cc1,0.0
Cc1[nH+]c(N)ccc1CNc1nc(Cl)c(C)n(CC(=O)Nc2cccc(C[NH3+])c2)c1=O,0.0
O=C([O-])[C@@H]1[C@@H](CC2CC[NH2+]CC2)C(=O)N1C(=O)N1CCN(C(=O)CCCc2ccc3ccccc3c2)CC1,0.0
NC(=[NH2+])c1ccc2oc(C(=O)N3CCN(C(=O)COc4ccc(OCC(=O)N5CC[NH2+]CC5)cc4)CC3)cc2c1,0.0
[NH3+]Cc1cccc(C2CCN(C(=O)c3cn(C(=O)c4cccs4)c4ccccc34)CC2)c1,0.0
Cc1nc2ccc(S(=O)(=O)NCC[NH2+]CCCc3ccc(C[NH3+])cc3)cc2s1,0.0
Cc1cc(C)c(CNc2nc(Cl)c(C)n(CC(=O)Nc3cccc(C[NH3+])c3)c2=O)cc1C[NH3+],0.0
O=C([O-])[C@@H]1[C@@H](CC2CC[NH2+]CC2)C(=O)N1C(=O)N1CCN(C(=O)c2ccc3ccccc3c2)CC1,0.0
CCc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc2ccccc2c1,0.0
Cc1ccc(-c2cn([C@@H]3C[C@@H](O)[C@@H](COP(=O)([O-])[O-])O3)c(=O)[nH]c2=O)cc1,0.0
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
CN1CCN(Cc2cn([C@@H]3C[C@@H](O)[C@@H](COP(=O)([O-])[O-])O3)c(=O)[nH]c2=O)c2ccccc21,0.0
Cc1nc2ccc3ccc(CNc4ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])s4)cc3c2c(=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
O=c1[nH]c(=O)n([C@@H]2C[C@@H](O)[C@@H](COP(=O)([O-])[O-])O2)cc1-c1ccc(OCc2ccccc2)cc1,0.0
CN(Cc1ccnc(Sc2ccccc2)c1)c1ccc2c3c(cccc13)C(=[NH2+])N2,0.0
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(Cc1ccc2nc(CSc3ncccn3)[nH]c(=O)c2c1)c1ccc(C(=O)NCc2cccc([N+](=O)[O-])c2)cc1,0.0
Nc1nc2ccc(CNc3ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc3)nc2c(=O)[nH]1,0.0
Cc1nc2[nH]c(C)c(Sc3ccncc3)c2c(=O)[nH]1,0.0
O=C1O[C@@](c2ccc(O)cc2)(c2ccc(O)c(Br)c2)c2cccc3cccc1c23,0.0
C#CCN(Cc1ccc2nc(-c3ccccc3)[nH]c(=O)c2c1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1,0.0
C#CCN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1ccc(S(=O)(=O)c2ccccc2)cc1,0.0
Cc1nc(N)nc2c1c(CCc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)cn2Cc1ccccc1,0.0
Nc1[nH]c2cc3c(cc2[nH+]1)CCCN3Cc1ccc(S(=O)(=O)c2ccc(O)cc2)cc1,0.0
Nc1nc2c(c(=O)[nH]1)N[C@H](CCNc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)CC2,0.0
C#CCN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1ccc(C(=O)N[C@H](CCC(=O)NCc2ccccc2)C(=O)[O-])cc1,0.0
CN(Cc1ccc(S(=O)(=O)c2ccccc2)cc1)c1ccc2c3c(cccc13)C(=[NH2+])N2,0.0
Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccncc1,0.0
CCN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1nnc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])s1,0.0
Cc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc2ccccc2c1,0.0
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)N[C@@H](CCC[S@](=O)c2nnn[n-]2)C(=O)[O-])c(F)c1,0.0
Cc1nc2ccc(CN(CCF)c3cnc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])s3)cc2c(=O)[nH]1,0.0
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
Cc1cc(CN(C)c2ccc3c4c(ccc(C)c24)C(=[NH2+])N3)ccn1,0.0
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(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])nc1,0.0
C#CCN(Cc1cc2c(=O)[nH]c(C)nc2cc1C)c1ccc(C(=O)NCc2ccccn2)c(F)c1,0.0
Cc1nc2ccc3ccc(CNc4ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])c(F)c4)cc3c2c(=O)[nH]1,0.0
C#CCN(Cc1ccc2nc(N)[nH]c(=O)c2c1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1,0.0
CCc1[nH+]c(N)nc(N)c1-c1cccc(Cl)c1,0.0
Nc1nc2c(c(=O)[nH]1)N[C@H](CNc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)CC2,0.0
O=c1[nH]c(=O)n([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@@H]2F)cc1F,0.0
Cc1ccc2nc(N)[nH]c(=O)c2c1Sc1ccnnc1,0.0
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1,0.0
NC(=[NH2+])c1ccc2cc(CCc3ccccc3)cc(-c3ccoc3)c2c1,0.0
NC(N)=Nc1ncc(Cl)c2ccc(-c3ccc4c(c3)OCO4)cc12,0.0
NC(=[NH2+])c1ccc2cc(CCc3ccccc3)cc(Nc3ncccn3)c2c1,0.0
Cc1ccc(C(=O)[O-])c(Oc2nc(Oc3cc(O)cc(-c4cccc(C[NH3+])c4)c3)c(F)cc2F)c1,0.0
NC(=[NH2+])c1ccc2cc(C(=O)Nc3ccc4c(c3)[C@@H](C3CCCC3)[NH2+]CC4)ccc2c1,0.0
NC(N)=Nc1ncc(Cl)cc1/C=C/c1cccc(C(=O)[O-])c1,0.0
NC(=[NH2+])c1ccc2cc(C(=O)Nc3ccc4c(c3)C(C3CCCC3)=NCC4)ccc2c1,0.0
NC(=[NH2+])c1ccc2[nH]c(-c3cccc(Oc4ccccc4)c3O)cc2c1,0.0
NC(=[NH2+])c1ccc2cccc(Nc3ncccn3)c2c1,0.0
NC(=[NH2+])c1ccc2[nH]c(-c3cccc(Br)c3[O-])cc2c1,0.0
NC(=[NH2+])c1cc2c(O[C@H](C(=O)NCc3ccccc3)c3ccccc3)cccc2s1,0.0
CCS(=O)(=O)c1cc(-c2cc(C(=O)Nc3cccc(OC4CCCC4)c3)cc3ccc(C(N)=[NH2+])cc23)co1,0.0
NC(=[NH2+])c1ccc2nc(-c3cccc(Oc4ccccc4)c3O)[nH]c2c1,0.0
NC(=[NH2+])c1ccc2cc(CCc3ccc(C[NH+]4CCCC4)cc3)cc(Nc3ncccn3)c2c1,0.0
NC(=[NH2+])c1ccc2[nH]c(-c3cc(CCCC(=O)[O-])cc(Br)c3O)c(Cc3ccccc3)c2c1,0.0
CC(C)COc1cccc(-c2nc3cc(F)c(C(N)=[NH2+])cc3[nH]2)c1O,0.0
NC(=[NH2+])c1ccc2[nH]c(-c3cccc(-c4ccccc4)c3O)cc2c1,0.0
NC(=[NH2+])c1ccc2oc(-c3cccc(-c4ccccc4)c3O)cc2c1,0.0
NC(=[NH2+])c1cc2[nH]c(-c3cccc(OC[C@H]4CCC[NH2+]4)c3O)nc2cc1F,0.0
CC(C)C1=NCCc2ccc(NC(=O)c3cc(Nc4ncccn4)c4cc(C(N)=[NH2+])ccc4c3)cc21,0.0
NC(=[NH2+])c1cc2[nH]c(-c3cccc(OC[C@@H]4CCCO4)c3O)nc2cc1F,0.0
NC(=[NH2+])c1cc2c(O[C@H](COC(=O)NCc3ccccc3)c3ccccc3)cccc2s1,0.0
COc1ccc2ccc(C(N)=[NH2+])cc2c1Oc1cnccn1,0.0
NC(=[NH2+])c1ccc2cc(C(=O)Nc3cccc(Oc4ccccc4)c3)ccc2c1,0.0
NC(=[NH2+])c1ccc2cc(/C=C/c3ccccc3)cc(Nc3ncccn3)c2c1,0.0
COc1ccc2ccc(C(N)=[NH2+])cc2c1[C@@H]1CCOC1,0.0
NC(=[NH2+])c1ccc2nc(-c3cc(Cl)cc(-c4cccc(N)c4)c3O)[nH]c2c1,0.0
NC(=[NH2+])c1cc2c(Nc3ncccn3)cccc2s1,0.0
NC(=[NH2+])c1ccc2cccc(NC(=O)OCc3ccccc3)c2c1,0.0
NC(=[NH2+])c1ccc(NC(=O)c2cc3cc4ccccc4cc3cc2O)cc1,0.0
NC(N)=Nc1ncc(Cl)cc1/C=C/c1ccc2c(c1)OCO2,0.0
C[C@H]1CCCC[C@@H]1Oc1cccc(-c2nc3cc(F)c(C(N)=[NH2+])cc3[nH]2)c1O,0.0
NC(=[NH2+])c1ccc2cc(C(=O)Nc3ccc4c(c3)CCC4)ccc2c1,0.0
NC(=[NH2+])c1ccc2cc(/C=C/c3cccc(CCO)c3)ccc2c1,0.0
NC(=[NH2+])c1ccc2cc(C(=O)Nc3cccc(CC4CCCC4)c3)ccc2c1,0.0
Cc1n[nH]c2cc(N(C)c3cc[nH+]c(Nc4cccc(S(N)(=O)=O)c4)n3)ccc12,0.0
O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1NCc1ccncc1,0.0
Nc1ncnc2c1c(-c1cnc3[nH]ccc3c1)nn2C1CCCC1,0.0
O=C1NCc2cccc(-c3cc4cc(OCCC[N@H+]5CC[C@H](O)CC5)ccc4[nH]3)c21,0.0
CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21,0.0
O=C(Nc1cnc2ccccc2c1)c1ccccc1NCc1ccncc1,0.0
CN(c1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2F)cc1)c1cc[nH+]c(Nc2cccc(S(N)(=O)=O)c2)n1,0.0
Cc1ccc(Nc2ccnc(Nc3cccc(Br)c3)n2)cc1O,0.0
Nc1c(-c2nc3ccccc3[nH]2)c(=O)[nH]c2ccccc12,0.0
c1ccc(COc2ccc3c(-c4nc5cc(N6CCC([NH+]7CCCCC7)CC6)ccc5[nH]4)n[nH]c3c2)cc1,0.0
O=C(Nc1cccc(Cl)c1)c1cccnc1NCc1ccncc1,0.0
Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1,0.0
Cc1ccc(C(=O)Nc2cccc(C(C)C)c2)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1,0.0
C[NH+](C)CCc1ccc(Nc2ncc(Cl)c(-c3ccc4cc[nH]c4c3)n2)cc1,0.0
CNC(=O)Nc1ccc(CNc2ncsc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)cn1,0.0
O=C(Nc1cccc(-c2cncc3ccccc23)c1)c1ccccc1NCc1ccncc1,0.0
C[NH+]1CCN(Cc2ccc3c(c2)Cc2c(-c4csc(C#CCNC(=O)Nc5ccccc5)c4)n[nH]c2-3)CC1,0.0
COc1cc(OC)cc(-c2cc3cnc(NCCCN4CC[NH+](C)CC4)cc3nc2NC(=O)NC(C)(C)C)c1,0.0
COc1cc(OC)cc(-c2cc3cnc(NCCCN4CC[NH+](C)CC4)nc3nc2NC(=O)NC(C)(C)C)c1,0.0
Nc1ncc(-c2cccc(S(N)(=O)=O)c2)c2occ(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12,0.0
CNc1nccc(-c2cccnc2Oc2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2C)n1,0.0
O=C(Nc1ccc(Oc2ccccc2)cc1)c1cccnc1NCc1ccncc1,0.0
COc1cc(OC)cc(-c2cc3cnc(NCCCC[NH+]4CCN(C)CC4)cc3nc2NC(=O)NC(C)(C)C)c1,0.0
Cc1cccc(NC(=O)Nc2ccc(-c3cnc4c(-c5ccc6c(c5)OCO6)cnn4c3N)cc2)c1,0.0
COc1cc2ncnc(Nc3ccc(C)c(O)c3)c2cc1OC,0.0
COc1cc(OC)cc(-c2cc3cnc(NCCCN4CCOCC4)cc3nc2NC(=O)NC(C)(C)C)c1,0.0
O=C1NN=C(c2cnccn2)/C1=C/c1[nH]c2ccccc2c1-c1ccccc1,0.0
Nc1c(-c2nc3ccccc3[nH]2)c(=O)[nH]c2cnccc12,0.0
Nc1c(-c2nc3ncccc3[nH]2)c(=O)[nH]c2ccccc12,0.0
Cc1cccc(C(=O)Nc2cccc([C@H](C)Nc3cncc(Cl)n3)c2)c1,0.0
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2C)cc1-c1ccc2nc(Nc3ccccc3)ncc2c1,0.0
CNC(=O)c1cc(Oc2ccc3c(C(=O)Nc4ccc(Cl)cc4)cccc3c2)ccn1,0.0
Fc1ccc2c(-c3nc4cc(N5CCC([NH+]6CCCCC6)CC5)ccc4[nH]3)n[nH]c2c1,0.0
COc1ccc2c(c1)NC(=O)Cc1cnc(Nc3ccc(O)c(Cl)c3)nc1-2,0.0
CC(C)([NH3+])c1ccc(-c2nc(Nc3ccc(CC[NH+]4CCCC4)cc3)ncc2Cl)cc1,0.0
O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccnn1CCc1ccncc1,0.0
O=C(Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1)c1cccn(-c2ccc(F)cc2)c1=O,0.0
O=C1NC(=O)c2c1ccc1c2c2cc(O)ccc2n1CCC(=O)N1CCOCC1,0.0
O=C1NC(=O)c2c1ccc1c2c2cc(O)ccc2n1CCC(=O)n1ccnc1,0.0
O=C1NC(=O)c2c1ccc1c2c2cc(O)ccc2n1CCCC(=O)n1ccnc1,0.0
NC(=O)CCn1c2ccc(O)cc2c2c3c(ccc21)C(=O)NC3=O,0.0
O=C1NC(=O)c2c1ccc1c2c2cc(O)ccc2n1CCCNc1ccccc1,0.0
O=C([O-])CCn1c2ccc(O)cc2c2c3c(ccc21)C(=O)NC3=O,0.0
O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1oc3ccc(O)cc3c21,0.0
O=C1NC(=O)c2c1ccc1[nH]c3ccc(O)cc3c21,0.0
Cn1c2ccc(O)cc2c2c3c(ccc21)C(=O)NC3=O,0.0
O=C1NC(=O)c2c1ccc1c2c2cc(O)ccc2n1CCO,0.0
O=C1NC(=O)c2c1c(-c1cccnc1)cc1[nH]c3ccc(O)cc3c21,0.0
O=C1NC(=O)c2c1c(-c1ccccc1)cc1oc3ccc(O)cc3c21,0.0
O=C1NC(=O)c2c1c(-c1ccc[nH]1)cc1[nH]c3ccc(O)cc3c21,0.0
O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1c2c2cc(O)ccc2n1CC/C([O-])=N/S(=O)(=O)c1ccccc1,0.0
O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1[nH]c3cc(CCCC[NH+]4CCCC4)c(O)cc3c21,0.0
O=C1NC(=O)c2c1c(-c1cccs1)cc1[nH]c3ccc(O)cc3c21,0.0
O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1[nH]c3cc(OCCCN4CCOCC4)c(O)cc3c21,0.0
Cn1c2cc(CCCCN3CCOCC3)c(O)cc2c2c3c(c(-c4ccccc4Cl)cc21)C(=O)NC3=O,0.0
Cn1c2cc(C(=O)NCC[NH+]3CCCC3)c(O)cc2c2c3c(c(-c4ccccc4Cl)cc21)C(=O)NC3=O,0.0
O=C1NC(=O)c2c1c(-c1cc[nH]c1)cc1[nH]c3ccc(O)cc3c21,0.0
O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1c2c2cc(O)c(OCCC[NH+]3CCCC3)cc2n1CCO,0.0
O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1[nH]c3cc(CCCCN4CCOCC4)c(O)cc3c21,0.0
O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1c2c2cc(O)c(CCCCN3CCOCC3)cc2n1CCO,0.0
O=C1NC(=O)c2c1c(-c1ccsc1)cc1[nH]c3ccc(O)cc3c21,0.0
O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1c2c2cc(O)c(OCCCn3cccc3)cc2n1CCO,0.0
O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1c2c2cc(O)ccc2n1CCCC(=O)N1CCOCC1,0.0
C[NH+](C)CCNC(=O)CCn1c2ccc(O)cc2c2c3c(ccc21)C(=O)NC3=O,0.0
O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1c2c2cc(O)c(OCCCN3CCOCC3)cc2n1CCO,0.0
O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1c2c2cc(O)ccc2n1CCCNc1ccccc1,0.0
O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1[nH]c3ccc(O)cc3c21,0.0
O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1c2c2cc(O)c(CCCCn3cccc3)cc2n1CCO,0.0
O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1c2c2cc(O)ccc2n1CCCC(=O)n1ccnc1,0.0
Cn1c2cc(CCCCn3cccc3)c(O)cc2c2c3c(c(-c4ccccc4Cl)cc21)C(=O)NC3=O,0.0
Cn1c2cc(OCCCn3cccc3)c(O)cc2c2c3c(c(-c4ccccc4Cl)cc21)C(=O)NC3=O,0.0
O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1c2c2cc(O)ccc2n1CCN1CCOCC1,0.0
Cn1c2cc(OCCCN3CCOCC3)c(O)cc2c2c3c(c(-c4ccccc4Cl)cc21)C(=O)NC3=O,0.0
Cn1c2cc(OCCC[NH+]3CCCC3)c(O)cc2c2c3c(c(-c4ccccc4Cl)cc21)C(=O)NC3=O,0.0
O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1c2c2cc(O)ccc2n1CC[S@](=O)c1nc[nH]n1,0.0
O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1[nH]c3cc(OCCC[NH+]4CCCC4)c(O)cc3c21,0.0
C[NH+]1CCN(CCCn2c3ccc(O)cc3c3c4c(c(-c5ccccc5)cc32)C(=O)NC4=O)CC1,0.0
Cn1c2cc(SCCC[NH+]3CCCC3)c(O)cc2c2c3c(c(-c4ccccc4Cl)cc21)C(=O)NC3=O,0.0
Cn1c2cc(SCCCn3cccc3)c(O)cc2c2c3c(c(-c4ccccc4Cl)cc21)C(=O)NC3=O,0.0
O=C1NC(=O)c2c1c(-c1ccccc1)cc1c2c2cc(O)ccc2n1CCN1CCOCC1,0.0
O=C1NC(=O)c2c1c(-c1ccccc1)cc1c2c2cc(O)ccc2n1CCCn1cc[nH+]c1,0.0
O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1c2c2cc(O)ccc2n1CCc1nnn[n-]1,0.0
Cn1c2cc(CCCC[NH+]3CCCC3)c(O)cc2c2c3c(c(-c4ccccc4Cl)cc21)C(=O)NC3=O,0.0
Cc1cccc(CCc2cccc(CCC3=C(O)C(=O)C=C([O-])C3=O)c2)c1,0.0
CCCCc1cccc(CCC2=C(O)C(=O)C=C([O-])C2=O)c1,0.0
O=C1C=C([O-])C(=O)C(CCc2ccccc2)=C1O,0.0
C[C@H]([NH3+])C(=O)N[C@H]1CC[C@@H]2CC[C@@H](C(=O)NCc3ccccc3)N2C1=O,0.0
CCCCCCCCCCCC1=C(O)C(=O)C=C([O-])C1=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
C[NH2+][C@@H](C)C(=O)N[C@H]1Cc2ccccc2[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)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
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)N1CC[C@H]2CC[C@H](NC(=O)c3ccc(C)c4ccccc34)[C@H]21)C(C)(C)C,0.0
CC(C)[C@H](NC(=O)[C@H](C)[NH3+])C(=O)N1CCC[C@H]1C(=O)NCCc1ccccc1,0.0
C[C@H]([NH3+])C(=O)N[C@H]1CCC[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O,0.0
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
CC(C)[C@H](NC(=O)[C@H](C)[NH3+])C(=O)N1CCC[C@H]1C(=O)NCc1ccccc1,0.0
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
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
CC[C@H]([NH3+])C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccccc1)C(C)C,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
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@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
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
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
C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C,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]([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]([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]1CO)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
CC(C)[C@H](NC(=O)[C@H](C)[NH3+])C(=O)N1CCC[C@H]1C(=O)NCc1ccco1,0.0
C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@H](NC(=O)c3csc4ccccc34)[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)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)N(C)c3ccc(F)cc3)[C@H]21)C(C)(C)C,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]1C(=O)N2[C@@H](CC[C@@H]1CNC(=O)C[NH3+])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(N)=S)CC[C@H]2C(=O)NC(c1ccccc1)c1ccccc1,0.0
CC(C)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
C[NH2+][C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@@H](C(=O)N[C@H]3CCC[C@H]4C=CC=C[C@@H]43)N2C1=O,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
CC(C)[C@H](NC(=O)[C@H](C)[NH3+])C(=O)N1CCC[C@H]1C(=O)NCc1cccs1,0.0
CC[C@H]([NH3+])C(=O)N[C@@H]1CC[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O,0.0
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
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
C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCc2ccccc21)C(C)(C)C,0.0
CCn1nccc1NC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12,1.0
Fc1ccc(-c2[nH]c(-c3ccc(F)cc3)c3c2[C@@H]2C=C[C@H]3C2)cc1,1.0
O=C([O-])CCCC[C@@H]1CCSS1,1.0
CC(C)(C)c1cc(-c2cc(=S)ss2)cc(C(C)(C)C)c1O,1.0
CS(=O)(=O)[N-]c1cc2c(cc1Sc1ccc(Br)cc1)C(=O)CC2,1.0
CC(C)[C@]12O[C@H]1[C@@H]1O[C@]13[C@]1(O[C@H]1C[C@H]1C4=C(CC[C@@]13C)C(=O)OC4)[C@@H]2O,1.0
FC(F)(F)c1cccc(Nc2ccccc2-c2nnc([S-])s2)c1,1.0
COc1ccc(O)c(O)c1/C=C1\[C@@H](C)CC[C@H]2C(C)(C)CCC[C@]12C,1.0
Cc1nc(-c2ccc(C)s2)c(-c2ccc(S(N)(=O)=O)cc2)o1,1.0
O=C1c2ccccc2C(=O)N1CCn1ccc(=O)[nH]c1=O,1.0
O=C([O-])c1ccc2c(c1)[C@H](SCC[N@@H+]1CCc3ccccc3C1)c1ccccc1CO2,1.0
Clc1ccc(-c2nn(-c3ccccc3)c3c2CCCCC3)cc1,1.0
C[C@@H]1C[C@@H]2O[C@@H]2/C=C\C=C\C(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1,1.0
O=C(Nc1nccs1)c1c([O-])n2c3c(cccc13)Sc1ccccc1-2,1.0
C[S@](=O)c1ccc([C@@H](Nc2cccnc2)C(=O)c2ccc(F)cc2)cc1,1.0
Cc1ccc(S(=O)(=O)n2cc([C@@]3(O)C[C@H](CSC#N)OC3=O)c3ccccc32)cc1,1.0
CS(=O)(=O)c1ccccc1C#Cc1ccncc1,1.0
C=C1O[C@H]2[C@@H](C1=C)[C@H](OC(=O)[C@@]1(C)O[C@H]1C)[C@H](OC(C)=O)/C(C(=O)OC)=C/CC[C@@]1(C)O[C@H]21,1.0
C[C@@H](C(=O)[O-])c1ccc(-c2ccc3[nH]ccc3c2)cc1,1.0
c1ccc2c(c1)Nc1ccccc1O2,1.0
CC(=O)Nc1ccc(/C(=C\c2ccc(S(C)(=O)=O)cc2)C(=O)OCO/N=[N+](\[O-])N2CCCC2)cc1,1.0
COc1ccc(-c2cnsc2-c2ccc(OC)cc2)cc1,1.0
CC(C)(C)c1cc(/C=C2/CCOC2=O)cc2c1OCC2(C)C,1.0
Cc1cc(/C=C/c2csc3ccccc23)cc(C)c1O,1.0
O=C1Cc2cc(Br)c(C3CCCCC3)cc2O1,1.0
O=C(Nc1cc(F)ccc1F)[C@H]1C(=O)N2c3ccc(F)cc3Cc3cccc1c32,1.0
O=C1OCC(c2ccc(-c3nnn[n-]3)cc2)=C1c1ccccc1,1.0
O=C([O-])Cc1ccccc1Nc1c(Cl)cccc1Cl,1.0
C1=C(CCn2cc[nH+]c2)c2cccnc2CC1,1.0
O=S(=O)([N-]c1ccncc1NC1CCCCC1)C(F)(F)F,1.0
CCSc1nnc(-c2nc(C(C)(C)C)c(O)c(C(C)(C)C)n2)s1,1.0
O=C([O-])c1ccc(OC/C=C/Cn2c(=O)n(Cc3ccccc3)c(=O)n(C(c3ccccc3)c3ccccc3)c2=O)cc1,1.0
CC[C@@]1(CC(=O)[O-])OC[C@H](Cc2ccccc2)c2c1[nH]c1ccccc21,1.0
CN1C([O-])=C(C(=O)Nc2ccc(Br)cc2Br)c2cc(Cl)ccc2S1(=O)=O,1.0
C[C@@]1(N2C(=O)c3ccc(N)cc3C2=O)CCC(=O)NC1=O,1.0
COC1(c2cc(F)cc(OCc3cc(-c4ccc(Cl)cc4)n(S([NH-])(=O)=O)n3)c2)CCOCC1,1.0
CS(=O)(=O)c1ccc([C@H]2Sc3ccccc3C(=O)N2c2ccc(F)cc2)cc1,1.0
Cc1ccc2c(-c3ccccc3)nc(=O)n(C(C)C)c2c1,1.0
C[C@@H]1CN(c2c(C#N)c(C(F)F)nn2-c2ccc(S(C)(=O)=O)cn2)C[C@H](C)O1,1.0
NS(=O)(=O)c1ccc(N2N=C(C(F)(F)F)C[C@H]2c2c[nH]c3c(Cl)cccc23)cc1,1.0
CCCCC(=C(c1ccccc1)c1ccccc1)c1ccc(S(=O)(=O)OC)cc1,1.0
CS(=O)(=O)c1ccc(C2=C(c3ccc4c(c3)OCO4)CC3(CC3)C2)cc1,1.0
CSc1ccc(/C=C2/C(C)=C(CC(=O)[O-])c3cc(F)ccc32)cc1,1.0
CCSC[C@@H]1C[C@](O)(c2ccccc2)[C@@H](c2ccccc2)[C@H](c2ccc(Cl)cc2)O1,1.0
c1ccc(-c2sc(-c3ccccc3)c3ccccc23)cc1,1.0
Cc1c(C)c2c(c([C@H](CCCCCC(=O)[O-])c3ccc(F)cc3)c1O)CCCC2=O,1.0
COc1ccc(-n2nc(C#CCN(O)C(=O)c3ccccc3)cc2-c2ccc(C)cc2)cc1,1.0
NS(=O)(=O)c1ccc(/N=C/c2ccc(O)c(C(=O)[O-])c2)cc1,1.0
NC(=O)n1c([O-])c(C(=O)c2cccs2)c2cc(Cl)ccc21,1.0
C=C1C(=O)O[C@@H]2C[C@@]3(C)C=CC(=O)C(=C)[C@@H]3C[C@H]12,1.0
O=c1c2ccccc2nc2n1CCc1c-2[nH]c2ccccc12,1.0
Cc1ccc(NNC(=O)c2ccc(Cl)cc2)cc1,1.0
CS(=O)(=O)c1ccc(-n2cc(CSc3ccc(Cl)cc3)nc2-c2ccc(Cl)cc2)cc1,1.0
CSc1ccc(C2=C3c4ccccc4CC[C@@H]3OC2=O)cc1,1.0
Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c2c1c(=O)[nH]c1ccc([N+](=O)[O-])cc12,1.0
c1ccc(-c2cc3n(c2-c2ccccc2)CCC3)cc1,1.0
CC(C)(C)CC(=O)c1c(CC(C)(C)C(=O)[O-])n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4n3)cc12,1.0
CCCCC(=O)c1cc(C(C)(C)C)c2c(c1)C(C)(C)CCN2C,1.0
CN(O)CCc1ccc2c(c1)C(=O)c1ccccc1CO2,1.0
CS(=O)(=O)c1ccc(-c2nc(NC[C@H]3CC=CCC3)cc(C(F)(F)F)n2)cc1,1.0
CS(=O)(=O)[N-]c1ccc([N+](=O)[O-])cc1Oc1ccccc1,1.0
[H]/N=C(/N)[N-]C1=NC(=O)/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)N1C,1.0
O=C1N=C([O-])CCN1N1C(=O)c2ccccc2C1=O,1.0
COc1ccc2c(c1)CCC(c1ccc(OC)c(OC)c1)=C2,1.0
Cn1c2c(c3cc(O)ccc31)CCCCC2,1.0
Cc1[nH]c2cc(S(C)(=O)=O)ccc2c1Cc1ccccc1Cl,1.0
Cc1ccc(Cl)c(Nc2ccccc2-c2nnc(NC#N)o2)c1Cl,1.0
CS(=O)(=O)c1ccc(-c2cc(C(=O)[O-])c3cccc(-c4ccccc4)c3n2)cc1,1.0
Cn1c(=O)oc2cc(-c3cc(C(F)(F)F)nn3-c3ccc(Cl)cc3)ccc21,1.0
O=c1c2ccccc2c(S(=O)(=O)c2ccccc2)c([O-])n1Cc1ccccc1,1.0
COc1ccc2c(Cc3ccc(C)cc3)ccc([C@H](C)C(=O)[O-])c2c1,1.0
Cc1cc(CCc2ccc(F)cc2)cc(C)c1O,1.0
Cc1ccc(Oc2c(-c3ccc(S(C)(=O)=O)cc3)oc(C)cc2=O)c(F)c1,1.0
NC1=NN(c2cccc(C(F)(F)F)c2)CC1,1.0
COc1cc(/C=C/c2cc(C)sn2)cc(C(C)(C)C)c1O,1.0
Cc1cnc(NC(=O)C2=C([O-])c3sccc3S(=O)(=O)N2C)s1,1.0
CS(=O)(=O)c1ccc(-c2sc(CCCc3ccc(Br)cc3)nc2-c2ccc(F)cc2)cc1,1.0
CC1(C)OC(=O)C(Oc2ccc(C3CC3)cn2)=C1c1ccc(S(C)(=O)=O)cc1,1.0
NS(=O)(=O)c1ccc(C2=C(c3ccc(F)cc3)c3ccccc3C2)cc1,1.0
CCOc1ccc(-c2nn3ncccc3c2-c2ccc(S(N)(=O)=O)cc2)cc1,1.0
C1=CCc2c(-c3ccccc3)[nH]c(-c3ccccc3)c2C1,1.0
NS(=O)(=O)c1ccc(-n2cnc(Cl)c2-c2ccc(Cl)nc2)cc1,1.0
CS(=O)(=O)c1ccc(-c2cc(CO[N+](=O)[O-])nn2C2CCCCC2)cc1,1.0
NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c3c2-c2cc(F)c(F)cc2CS3)cc1,1.0
Cc1ccccc1N1C(=O)c2ccccc2C1=O,1.0
O=C([O-])CCCCCCCN1C(=O)C=CC1=O,1.0
O=C([O-])c1ccc2c(c1)/C(=C/Cn1cnc3cc(C(=O)NCc4ccccc4)ccc31)c1ccccc1CO2,1.0
CCCN1CC(c2ccc(S(C)(=O)=O)cc2)=C(c2ccc(CO)cc2)C1=O,1.0
O=C([O-])Cc1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1,1.0
COc1ccc2[nH]c(-c3ccc(S(C)(=O)=O)cc3)cc2c1,1.0
COc1ccc(-n2c(-c3ccc(S(N)(=O)=O)cc3)coc2=O)cc1,1.0
CC(C)(C)c1cc(/C=C2/CCN(c3ccc(Cl)cc3)S2(=O)=O)cc(C(C)(C)C)c1O,1.0
Cc1c(CC(=O)OC(C)C)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccccc1,1.0
C[C@H](CO)Sc1ncc(C(F)(F)F)cc1-c1ccc(S(C)(=O)=O)cc1,1.0
CC(C)(C)c1cc([C@@H]2CCOC2=O)cc(C(C)(C)C)c1O,1.0
CS(=O)(=O)c1ccc(C#CC(=O)c2ccc(F)cc2)cc1,1.0
COc1ccc2c(c1)c(CC1(CC(=O)[O-])CC1)c(C)n2Cc1ccc(Br)cc1,1.0
CS(=O)(=O)c1ccc(-c2nn(CC(=O)Nc3ccccc3)c(C(F)(F)F)c2-c2ccc(F)cc2)cc1,1.0
Cc1cc(-c2nc(C(F)(F)F)cn2-c2ccc(S(N)(=O)=O)cc2)no1,1.0
C[C@@H]1C(c2ccccc2)=C(c2ccc(S(C)(=O)=O)cc2)ON1C,1.0
Cn1c([O-])c(C(=O)Nc2ccc(Cl)cc2)c2ccccc2c1=O,1.0
CS(=O)(=O)c1ccc(-c2c(-c3ccc(F)c(F)c3)nc3sccn23)cc1,1.0
O=C([O-])Cc1ccccc1-c1ccn(C(F)F)c(=O)c1,1.0
NS(=O)(=O)c1ccc(-n2nc(COCc3ccccc3)cc2-c2ccc(Cl)cc2)cc1,1.0
CS(=O)(=O)c1ccc(C2=C(c3cc4ccccc4s3)C(=O)CC2)cc1,1.0
Cc1ccc(-c2cc(F)c(F)cc2-c2ccc(S(N)(=O)=O)cc2)nc1,1.0
CS(=O)(=O)c1ccc(-c2cnn(Cc3ccccc3)c(=O)c2OCC2CC2)cc1,1.0
C[C@@H](C(=O)[O-])c1ccc2c(c1)Oc1ccccc1CO2,1.0
CS(=O)(=O)[N-]c1ccncc1Oc1ccc(Cl)cc1Cl,1.0
Cc1cc(Nc2cnc(C#N)c(N[C@@H](C)c3ncc(F)cn3)n2)n[nH]1,0.0
O=C(C(=O)N1CCCC[C@H]1C(=O)OCCCC1CCCCC1)C1CCCCC1,0.0
O/N=C/c1ccc(-c2ccc(O)cc2)c2ccccc12,0.0
O=C1C=C(S(=O)(=O)[O-])[C@H]2C=CC=C[C@H]2C1=O,0.0
Nc1nc(N)c2c3c(sc2n1)CCCCCCCCCC3,0.0
[H]/N=C1\NC[C@@H](Cc2ccc3c(c2)OCCO3)C(=[NH2+])N1,0.0
CCCCCCCC[S@+](C)C[C@@H](P(=O)([O-])[O-])[P@@](=O)([O-])O,0.0
CC1=C(/C=C/C(C)=C\C=C\C(C)=C\C(=O)[O-])C(C)(C)CCC1,0.0
Cc1[nH+]c2c3c(c(-n4cncn4)cn2c1C)CC[C@@H](c1ccccc1)N3,0.0
O=C(Cc1csc(NC(=O)c2cnccc2Oc2ccc(Cl)cc2)n1)NO,0.0
O[C@H]1[C@H](O)[C@@H](O)C[N@H+]2CC[C@@H](O)[C@@H]12,0.0
NC(=O)c1sc2c([N+](=O)[O-])cc(SC(F)(F)F)cc2[n+]1[O-],0.0
Nc1cnc2ccn(S(=O)(=O)c3cccc4nonc34)c2c1,0.0
CCc1cn([C@H]2O[C@H](CO)[C@H](O)[C@@H]2F)c(=O)[nH]c1=O,0.0
Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(-c3nnn[n-]3)cc2)cc1,0.0
N#C[C@@H](c1ccccc1)[C@H](N)Sc1ccccc1N,0.0
[O-][n+]1ccccc1C(F)(F)CNc1nccc2oc(Cc3ccccc3N3CNC=N3)nc12,0.0
CC(C)c1cc(CCC[NH2+]Cc2cccc(/N=C(/N)c3cccs3)c2)cc(C(C)C)c1O,0.0
O=C1N=C([CH-]c2ccccc2)N=C2N=C([C-]3C=CNC(/C=C/c4ccccc4)=C3)C=C12,0.0
Oc1cc2[nH]c3c(O)c(O)cc(Br)c3c2cc1O,0.0
COc1cc2c(cc1Cl)C(c1ccc(Cl)c(Cl)c1)=[NH+]CC2,0.0
O=C(NCCCCCC[N@@H+]1CCc2c(c3cc(F)ccc3n2-c2ccc(F)cc2)C1)c1ccccc1,0.0
CC(C)(C[C@@H]1CCC[NH2+]1)[C@H]1C(=O)Nc2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)cc21,0.0
CCC/C=C/C[C@H]([C@H](C)O)n1cnc2c(N)ncnc21,0.0
Nc1cccc(C[C@H]2C[NH2+]C[C@H]2NCC[NH3+])[nH+]1,0.0
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
Nc1nc(F)c(F)c(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)c1F,0.0
CN1C(=O)Nc2ccc(Cl)cc2[C@@]12NC(=O)NC2=O,0.0
c1n[nH]cc1-c1cnc2ncc(-c3cn[nH]c3)n2c1,0.0
CCCC[C@]12CCC(=O)C(c3ccco3)=C1c1ccc3n[nH]nc3c1C2,0.0
O=C([O-])c1cc2c3cc(-n4cnnc4)c(Cl)cc3nc([O-])n2n1,0.0
C/C=C\[C@@H]1C[C@H](C(=O)[O-])[NH2+][C@H]1[C@@H](NC(C)=O)[C@@H]1CCC=CCO1,0.0
C=CCn1c(C)c(C)c2cc(-n3ccccc3=O)[nH+]c(NCc3c(C)cccc3C)c21,0.0
O=C([O-])c1sccc1S(=O)(=O)[N-]c1ccc(Br)cc1,0.0
O=C1C=C(C(F)(F)F)[C@@H]2C=C(N(Cc3ccoc3)CC(F)(F)F)C=C[C@@H]2N1,0.0
NS(=O)(=O)c1ccc(CNS(=O)(=O)c2c(F)c(F)cc(F)c2F)cc1,0.0
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
Fc1ccccc1C1(c2nnc3n2CCCCCC3)CCCC1,0.0
COC(=O)c1c(O)cccc1OC/C=C/c1cccc(-c2onc(C(=O)[O-])c2CO)c1,0.0
NC(=[NH2+])c1cccc(Oc2nccc(Oc3cccc(C(N)=[NH2+])n3)n2)c1,0.0
C[C@@H]1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3,0.0
c1cc2n[nH]c(-c3nc4ccc(N5CCC([NH+]6CCCCC6)CC5)cc4[nH]3)c2cc1NCC1CCCCC1,0.0
CC1=CC(C)(C)[NH+]=c2cc3c(cc21)=C(C(F)(F)F)C=C(O)O3,0.0
N#C[C@@H]1CCC[C@H]1C(=O)[C@@H]1CN([C@H]2CCOc3ccccc32)C[C@@H]1[NH3+],0.0
Clc1ccccc1Nc1ncc2ccn(-c3ccccn3)c2n1,0.0
Cc1nc2ccc(P(=O)([O-])[O-])cc2s1,0.0
COC1=C(F)[C@@H]2CC[C@@](Cc3ccc(C(F)(F)F)cc3)(c3cn(C)c(N)[nH+]3)[C@H]2C=C1,0.0
C[C@H]1CNc2c(sc3ccc4occc4c23)C(=O)N1,0.0
Cc1ccc(CCC(=O)Nc2ccc3ccn(CC[C@H](CO)n4cnc(C(N)=O)c4)c3c2)cc1,0.0
c1cc(C[N@H+]2CCCNCCNCC[NH2+]CCC2)ccc1CN1CCCNCCNCC[NH2+]CCC1,0.0
NC1=CC=C2SN=C3c4ccccc4C(=O)[C@H]1[C@@H]23,0.0
O=C1[C@@H]2C[C@H](SCc3cccc(-c4ccc(Br)cc4)c3)CN2C(=O)N1c1cc(Cl)cc(Cl)c1,0.0
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
NC(=O)c1nn(-c2cccnc2)c2c1ccc1[nH]ncc12,0.0
CCN1C(=O)CC(C)(C)c2cc(C)c(-c3cc(/C=C4\SC(=O)NC4=O)ccc3OC(F)(F)F)cc21,0.0
C[NH2+][C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@@H](C(=O)N[C@@H]3CCC[C@H]4C=CC=C[C@@H]43)N2C1=O,0.0
N#Cc1cc(C=O)cc(O)c1[O-],0.0
O=c1[nH]c2cc([N+](=O)[O-])cc(CNc3cnccn3)c2[nH]c1=O,0.0
Nc1cc(Cl)nc(SCc2cc3c(cc2Cl)OCO3)n1,0.0
CC[C@H](c1cccc([N-]S(=O)(=O)c2cn(C)c[nH+]2)c1)[C@H]1C(=O)CC(CCc2ccccc2)(CCc2ccccc2)OC1=O,0.0
CNC(=O)c1nn(C)c2c1CCc1cnc(NC3CCN(C(=O)C4CCN(S(C)(=O)=O)CC4)CC3)nc1-2,0.0
COc1cc2c(Nc3c(F)cc(Br)cc3F)ncnc2cc1OCCn1ccnn1,0.0
CCCCc1nc(Cl)c(C2=NO[C@@H](C(=O)OCC)C2)[nH]1,0.0
C#CCNCc1cc2cc(OCc3ccccc3)ccc2[nH]1,0.0
Cc1ccc2c3c(ccc(N(C)Cc4ccnnc4)c13)NC2=[NH2+],0.0
Nc1nc(N2CC[NH2+]CC2)c2c([nH+]1)C1=C(CC2)O[C@H]2CCCC[C@@H]12,0.0
NC(N)=Nc1ncc(Cl)cc1/C=C/C1CCCCC1,0.0
C=C1C[C@@H](c2ccc(NC(N)=[NH2+])cc2)CC(=O)O1,0.0
C[NH2+][C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccc(O)cc3c3c4c(c5c6cc(O)ccc6n2c5c31)C(=O)OC4,0.0
Nc1nc([O-])c2nnn(COCCCC[P@@](=O)([O-])O)c2n1,0.0
O=C1CN(c2cc(-c3ccc[nH]3)ccc2O)S(=O)(=O)N1,0.0
COc1ccc(CCCO[C@H](Cn2cc[nH+]c2)c2ccc(OC)cc2)cc1,0.0
CN(C[C@@H]1CNc2nc(N)[nH]c(=O)c2N1Cc1c[nH]c(=O)[nH]c1=O)c1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1,0.0
O=c1ccc2c([C@@H](O)C[NH2+]C3Cc4ccccc4C3)ccc([O-])c2[nH]1,0.0
FC(F)(F)c1cccc(-c2noc(-c3sccc3Cl)n2)c1,0.0
Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3ccc(S(=O)(=O)N(C)CCN4CCOCC4)cc3)nc12,0.0
C=C1C(c2ccccc2)=C(c2ccc(S(C)(=O)=O)cc2)C1(C)C,0.0
Cc1cccc(-c2nn(Cc3cccc(C#N)c3)cc2-c2ccc3ncccc3c2)n1,0.0
C=C(C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@](C)(O)c1ccccc1)C(=O)NCCC(C)C,0.0
[NH3+][C@@H](Cn1cc(I)c(=O)n(Cc2ccccc2C(=O)[O-])c1=O)C(=O)[O-],0.0
CC[NH+](CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1,0.0
O=C(/C=C/c1ccc(Sc2cccc(OC3CC[NH2+]CC3)c2)c(C(F)(F)F)c1C(F)(F)F)N1CCOCC1,0.0
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)(C)N1CN(c2ccc(Cl)cc2)C(N)=C2C=NN=C21,0.0
[N-]=[N+]=[NH+][C@H]1C[C@H]([NH+]=[N+]=[N-])c2cc(C(=O)CC(=O)C(=O)[O-])ccc21,0.0
O=C(Nc1nc2c[nH+]ccc2[nH]1)c1ccc2c(c1)Nc1ccccc1NC2=O,0.0
O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(CCCO)cc1)/N=N\c1c(O)[nH]c2ccccc12,0.0
CN(Cc1nc2ccccc2n1[C@H]1CC[N@H+](C)CC1)[C@@H]1CCCc2cccnc21,0.0
CN(C)S(=O)(=O)c1cc2c(c3c1C[N@@H+](C)C3)NC(=O)/C2=N\O,0.0
[H]/N=C1/N=C([O-])/C(=C2\CCNC(=O)c3[nH]c(Br)cc32)N1,0.0
Fc1ccc(Sc2ccc3nnc(-c4ccc(F)cc4F)n3c2)c(F)c1,0.0
CC(=O)c1cc(C(=O)N2CC([NH3+])C2)c(Nc2ccc(I)cc2F)n1C,0.0
C[N@H+](CCCNc1c2c([nH+]c3ccccc13)CCCC2)CCCSc1c2c(nc3ccccc13)CCCC2,0.0
Nc1ncnc2c1c(-c1ccc3c(c1)C=C(Cc1cccs1)C3)nn2[C@H]1CC[C@H](N2CCOCC2)CC1,0.0
NC(=[NH2+])SCCCn1c(-c2ccccc2)c(C2=CC(=O)NC2=O)c2ccccc21,0.0
O[C@@H]1[C@@H](O)[C@@H]2N/C(=N\c3ccccc3)O[C@@H]2[C@@H]1O,0.0
C[C@H](Nc1cc(-c2ccoc2)nc(-n2c[nH+]c3ccncc32)n1)c1ccccc1,0.0
CC(C)(C)c1ccc2c(c1)[C@H]1OCCC[C@H]1[C@H](c1ccsc1)N2,0.0
[NH3+]CCCC[C@@H]1NC(=O)[C@@H](CN(O)C=O)CCCCCCCCCNC1=O,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
[NH3+][C@@H](c1ccc(Cl)cc1)c1ccc(-c2ncnc3nc[nH]c23)cc1,0.0
CC(C)c1cc(Oc2c(Cl)cc3[nH]c(C(=O)[O-])cc(=O)c3c2Cl)ccc1O,0.0
O=C([O-])C[C@H](O)C[C@H](O)/C=C/C(=C(c1ccc(F)cc1)c1ccc(F)cc1)n1cnnn1,0.0
O=c1[nH]c(Nc2ccc(Br)cc2)nc2[nH]cnc12,0.0
Cn1c(C#N)ccc1-c1ccc2[nH]c(=O)n(C3CCCC3)c2c1,0.0
O=C(Cc1ccccc1)NCc1ccc(C(=O)OCN2C(=O)c3ccccc3S2(=O)=O)cc1,0.0
CC(C)=CC[N@H+]1Cc2c(Cl)ccc3[nH]c(=S)n(c23)C[C@H]1C,0.0
CCCN(CCC)C(=O)[C@@H]1OC(C(=O)[O-])=C[C@H](N)[C@H]1NC(=O)C(F)(F)F,0.0
O=C(Nc1ccc2c(c1)CCC2)Nc1cc(CNc2ccccc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)ccn1,0.0
CC(C)[C@H](C)C(=O)NC(=O)[C@H](O)[C@H](O)[C@@H](O)[C@@H](Oc1ccc(-c2ccccn2)cc1)C(=O)NC(=O)[C@@H](C)C(C)C,0.0
CCCCCCCCN(C)C(=O)Cn1cc(Cc2cnc(=O)n(C)c2)c(=O)nc1SCc1ccc(F)cc1,0.0
C[NH+](C)CCOC1=Cc2ccccc2Sc2ccc(Cl)cc21,0.0
C=C(Br)COc1ccc2c3c(c(=O)oc2c1C)CCC3,0.0
Cc1cc(O)cc2c1N=C(c1ccc(O)c(Br)c1)[C@@H](C)O2,0.0
O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3F)cc2)SC(=S)N1CCS(=O)(=O)[O-],0.0
O=C1N[C@@H]2C(=C[C@H](O)[C@@H](O)[C@H]2O)c2cc3c(c(O)c21)OCO3,0.0
CN(c1ccc2ccccc2c1)c1ccc2[nH+]c(N)nc(N)c2n1,0.0
C[C@@H]1CC(C)(C)Nc2ccc3c(c21)COc1c(F)cc(F)cc1-3,0.0
[NH3+]C1(Cc2cccc3ccccc23)CCN(c2ncnc3[nH]ccc23)CC1,0.0
Oc1ccc(C2=Cc3cc(O)ccc3[C@]23Cc2ccc(OCC[NH+]4CCCCC4)cc2C3)cc1,0.0
N#Cc1ccc(Cl)cc1CN(CC1CC1)C1CC[NH2+]CC1,0.0
COC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2CCCCOS(=O)(=O)c1ccc(C)cc1,0.0
O=c1[nH]cccc1[C@@](C#CC1CC1)(OCc1ccccn1)C(F)(F)F,0.0
[NH3+][C@H]1[C@@H]2CC[C@@]1(O)[C@@H](O)[C@H](O)C2,0.0
CC1(C)CCOc2ccc(C(=O)Oc3ccc(/C=N/NC(N)=S)cc3)cc21,0.0
O=C([O-])[C@@H]1CCCC[C@@H]1c1[nH]nc([S-])[nH+]1,0.0
O=P([O-])([O-])[C@](O)(Cc1cnc2ccccn12)[P@@](=O)([O-])O,0.0
C[C@H](C(=O)N[C@H]1[C@@H]2C[C@@H]3C[C@H]1C[C@@](O)(C3)C2)N1CCN(c2ccc(C(F)(F)F)cn2)CC1,0.0
CCCCc1oc2ccccc2c1Cc1ccc2c(Br)c(O)ccc2c1,0.0
CC(=O)N1CC[C@H](C(=O)Nc2ccc(COc3cc[nH+]c4ccccc34)cc2)[C@@H](C(=O)NO)C1,0.0
COc1cccc(-c2csc(N/N=C3\CCC[C@H]3C)n2)c1,0.0
Nc1ncc2c(n1)c(-c1cc(-c3cc4ccccc4s3)c3[nH]ncc3c1)cn2CCC1CC[NH2+]CC1,0.0
Cn1cc(/C=C2\C(=O)NN=C2c2cnccn2)c2c(Br)cccc21,0.0
COc1c(O)ccc2c1C1=C(/C(=C/c3ccc(-c4ccccc4)cc3)O2)[C@@H]2C(C)=CC(C)(C)N[C@H]2C=C1,0.0
COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1cc(C)cc(C)c1)C(F)(F)F,0.0
O=c1[nH]c2c(n3cc(P(=O)([O-])[O-])nc13)Cc1c(Cc3nnn[n-]3)cccc1-2,0.0
N#Cc1ccc(C(=O)C[C@@H](Nc2ccc([N+](=O)[O-])cc2)c2ccsc2)cc1,0.0
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
Oc1ccc(Cc2nnc3ccc(-c4ccsc4)nn23)cc1,0.0
N#C/C(=C1/Nc2ccccc2S1)c1ccnc(NCCCn2cccn2)n1,0.0
O=C1c2cccn2[C@@]2(CC([O-])=NC2=O)C(=O)N1c1ccccc1,0.0
NC1=N[C@](c2ccc(OC(F)(F)F)cc2)(c2cccc(-c3cccnc3F)c2)C2=NOCCN12,0.0
CCn1c(-c2nonc2N)nc2cncc(C(=O)N[C@@H]3CCC[NH2+]C3)c21,0.0
C[C@@H]1c2cc3c(C(F)(F)F)cc(=O)[nH]c3cc2N[C@@H]1C,0.0
c1ccc(N2CCO[C@H]3c4cccc5[nH]cc(c45)C[C@H]32)cc1,0.0
OCCCNc1cncc(-c2cncc(Nc3cccc(Cl)c3)n2)c1,0.0
O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(CCCC3CCCCC3)n2)cc1,0.0
N[C@@H](CC1=CCCCc2o[nH]c(=O)c21)C(=O)[O-],0.0
Fc1ccc(-c2n[nH]cc2-c2ccnc3ccccc23)nc1,0.0
Cc1ccc2c(c1)-c1nc(N)nc([C@@H]3CC[C@@H](Br)O3)c1C2,0.0
CC(=O)C1=C([O-])C=C2Oc3c(C(N)=O)c(O)cc(O)c3[C@]2(C)C1=O,0.0
C[C@](c1ccc(F)cc1)(c1c[nH]c2c([N-]S(C)(=O)=O)cccc12)C1CC1,0.0
Cc1cc(Nc2cc(N3CC[NH+](C)CC3)nc(/C=C/c3ccccc3)n2)[nH]n1,0.0
COc1ccc2c(c1)C(=O)c1ccc(-c3nnc(C)o3)cc1S2(=O)=O,0.0
Nc1[nH+]c(NC[C@H]2CCC[N@H+]2Cc2ccc3ccccc3n2)nc2nc(-c3ccco3)nn12,0.0
CC(=O)N[C@H](Cc1cc(F)cc(F)c1)[C@@H](O)C[NH2+][C@]1(c2cccc(C(C)(C)C)c2)CCc2nc(N)ncc2C1,0.0
Cc1c([O-])nc(Sc2ccccc2)nc1Cc1c(F)cccc1F,0.0
O=C1ON=C(c2ccccc2)/C1=C/c1ccco1,0.0
Cc1c(-c2ccnc(N)n2)sc2ccc([C@@H]([NH3+])c3cccc(O)c3)cc12,0.0
C[C@H](CO)/[NH+]=C(\N)c1c(Nc2cccc(Cl)c2Cl)s[nH]c1=O,0.0
O=c1c2c([nH]c3ccccc13)[C@H](c1ccc3c(c1)OCO3)N(C/C=C/c1ccccc1)C2,0.0
O=C1Cc2c(ccc3c2O[C@H](C[NH2+]Cc2ccccc2)CC3)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
CNOC(=O)c1ccc(C)c(CCCn2cnc3c2NC=[NH+]C[C@@H]3O)c1,0.0
CCCCC[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)N1CCC[C@H]1CO)C(C)C,0.0
[NH2+]=C(Nc1cccc(C[NH3+])c1)c1ccco1,0.0
OC[C@H]1O[C@@]2(CC(c3ccc4ccccc4c3)=NO2)[C@H](O)[C@@H](O)[C@@H]1O,0.0
C[C@@H](c1ccc(-c2ccc(=O)[nH]c2)cc1)[C@H](N)C(=O)N1CC[C@H](F)C1,0.0
CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NCCNc4ccccc4)ccc3OCC)nc12,0.0
NC(N)=Nc1nc(-c2ccc(CNc3[nH]c4ccccc4[nH+]3)s2)cs1,0.0
O=C1Nc2cccc(C3CC[NH2+]CC3)c2/C1=C/c1[nH]cc2c1CCNC2=O,0.0
CSCCN1C(=O)c2ccccc2Oc2nc(Cl)ccc21,0.0
CC(C)=C1C[C@@](CO)(COC(=O)CCCOc2ccc(C#Cc3ccc(C)cc3)cc2)OC1=O,0.0
Cc1c(S(=O)(=O)c2ccc(=O)[nH]n2)oc2ccc(F)cc12,0.0
[NH3+][C@@H](CC(=O)N1CCn2c(nnc2C2CC2)C1)Cc1cc(F)c(F)cc1F,0.0
CC1=C(CC(=O)[O-])c2cccc3cccc(c23)C1=O,0.0
CC(C)C[C@@H](SCc1ccccc1)c1c([O-])cc(-c2ccccc2)oc1=O,0.0
Nc1cc[nH+]c2c1ncn2[C@@H]1C[C@@H](CO)[C@@H](O)[C@@H]1O,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
Nc1nccn2c1c(-c1ccc3ccc(-c4ccccc4)nc3c1)nc2[C@H]1C[C@H]([NH+]2CCC2)C1,0.0
C=C(C)[C@H](CC=C(C)C)Cc1c(O)cc(OC)c2c1O[C@H](c1ccc(O)cc1O)CC2=O,0.0
CC#CCOc1ccc(S(=O)(=O)N[C@H](Cc2c(C)n(Cc3ccc4c(c3)OCO4)c3ccc(OC)cc23)C(=O)[O-])cc1,0.0
O=C(/C=C/c1ccc(CN(CCO)CCc2cnc3ccccc3c2)cc1)NO,0.0
Cc1c(C)n(C[C@H]2C[C@@H]2C)c2c(OCc3ccc(F)cc3)nncc12,0.0
C[C@H](O)[C@@H](/[NH+]=C1\C([O-])=CC(=O)C(O)=C1C[C@@H]1CCC[C@H]2CCCC[C@@H]21)C(=O)[O-],0.0
Nc1[nH]c2cc3c(cc2[nH+]1)CCCN3Cc1ccc2cc(CO)ccc2c1,0.0
C[NH+](C)CCNC(=O)c1cc(-c2ccc3c(c2)CC/C3=N\O)c(-c2ccncc2)o1,0.0
Clc1ccc(O[C@@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1,0.0
C[C@@H](Oc1cc(-n2cnc3cc(-c4cnn(C)c4)ccc32)sc1C(N)=O)c1ccccc1C(F)(F)F,0.0
CC(C)C#C[C@@]1(C(F)(F)F)OC(=O)Nc2cccc(F)c21,0.0
CC1=NC(c2ccccc2)=N[C@H](c2ccc(F)cc2)/C1=C(\[O-])Nc1ccc2[nH]ncc2c1,0.0
CS(=O)(=O)c1ccccc1-c1ccc(N2CC[C@@H](NS(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)c(F)c1,0.0
NC(=O)[C@@H]1CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2[nH+]1,0.0
C[C@H]1OC(Cc2ccc(Cl)c(Oc3cc(Cl)cc(C#N)c3)c2F)=NNC1=O,0.0
COC(=O)/N=c1/[nH]c2ccc(Oc3cccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)c3)cc2[nH]1,0.0
O=C([C@@H](O)C1CC1)N1CC(c2cc(F)ccc2F)=C[C@H]1c1cccc(O)c1,0.0
Cc1csc(-c2nc(Nc3ccncc3)c3ccccc3n2)n1,0.0
CCCCCCCCCCCCCC[NH2+][C@@H]1C=C(CO)[C@@H](O)[C@@H](O)[C@@H]1O,0.0
NS(=O)(=O)Oc1ccc2c(c1)S(=O)(=O)C(CC1CCCCCC1)=C2,0.0
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
Cc1nc(-c2nc(N3CCOCC3)[nH]c2-c2ccc3ncnn3c2)ccc1F,0.0
[O-][n+]1ccc2[nH+]cn(CCOc3ccc(Cc4ccccc4)cc3)c2c1,0.0
CCCCCCC[C@@H]1O[C@H](CC/C(C)=C/COc2c3ccoc3cc3oc(=O)ccc23)C(C)(C)O1,0.0
N#Cc1ccc(C(=O)Nc2cc(N3CCCCC3)ccc2N2CCCCC2)o1,0.0
NC(=[NH2+])N1CCC(CC(=O)[C@@H]2Cc3cccc4c3N2C(=O)[C@@H](NS(=O)(=O)c2ccc3c(c2)CCO3)CC4)CC1,0.0
CC(=O)N1CC=C[C@H]1C(=O)N[C@@H](CCC[NH+]=C(N)N)C(=O)c1nc2ccccc2s1,0.0
O=C(Cn1cc(Nc2nncc3cc(OCCC[N@@H+]4CCC[C@@H]4CO)ccc23)cn1)Nc1cccc(F)c1F,0.0
C#CCN(Cc1cc2c(=O)[nH]c(C)nc2cc1C)c1ccc(C(=O)NCc2nccs2)c(F)c1,0.0
CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1OCCOCCc1ccc(O)c(C(N)=O)c1,0.0
Fc1ccc(-c2nc(C3CC[NH2+]CC3)cn2-c2ccnc(NC3CCCCC3)n2)cc1,0.0
Oc1ccc2c(-c3cc(Cl)c(O)cc3O)noc2c1,0.0
C1=CCc2c(-c3ccccc3)[nH]c(-c3ccccc3)c2C1,0.0
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
O=C(CN1Cc2c(Br)cccc2N(CC2CC2)S1(=O)=O)NO,0.0
Fc1ccc([C@H](Cl)Cn2ncc3c(NCc4ccccc4F)ncnc32)cc1,0.0
CC(=O)Nc1cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])cc(O)c12,0.0
C[NH+](C)Cc1ccccc1-c1ccc(N2CCc3c(C(F)(F)F)nn(-c4cccc(-c5n[nH]c(=O)[nH]5)c4)c3C2=O)cc1,0.0
O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2cccc[n+]2[O-])cc1,0.0
O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)C[P@@](=O)([O-])CCCCc1ccccc1,0.0
O=C(OCc1ccccc1)c1sc2c([N+](=O)[O-])c([O-])c(O)cc2c1Cl,0.0
C[C@H](Cc1ccc(OCc2no[n+]([O-])c2C(N)=O)cc1)[NH2+]C[C@@H](O)c1cc(O)cc(O)c1,0.0
C[C@H]1CC[C@H]([C@H](NC(=O)c2cc3ccccc3cc2NC(=O)Nc2c(Cl)cc(Cl)cc2Cl)C(=O)[O-])CC1,0.0
O[C@](c1ccnc(Cl)c1)(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(F)(F)F,0.0
[H]/N=C1/C(=O)C(=O)[C@H]1N1CCc2ccc(CNC(=O)c3nc4sc5c(c4c(=O)[nH]3)CCS(=O)(=O)C5)cc2C1,0.0
CCCCCCCCCCCCCCCc1cc(O)cc(O)c1C(=O)Oc1cc(C)c(C(=O)[O-])c(O)c1,0.0
N#Cc1ccc(Cn2c3cc(O)c(O)cc3c3ccc(O)c(O)c32)cc1,0.0
CCC[NH2+][C@H]1CC[C@H](Nc2cccc3cnccc23)CC1,0.0
CNC(=O)c1cccc(-c2c[nH+]c(N)c3c(-c4ccc(NC(=O)Nc5cccc(C)c5)cc4)csc23)c1,0.0
Cn1ccnc1Sc1ccc(Nc2c(C#N)cnc3cc(/C=C/CC[NH+]4CCCC4)ccc23)cc1Cl,0.0
CCCCCOc1ccc(-c2ccc(-c3ccccc3Cl)n2Cc2ccc(OCCO)c(N)n2)cc1,0.0
O=C(c1cc(Cc2ccccc2)cc(CN2CCCS2(=O)=O)c1)c1ncc2cccnc2c1O,0.0
CCc1[nH+]c(N)nc(N)c1-c1ccc2c(c1)N(CCNC(C)=O)C(=O)[C@](C)(C(F)(F)F)O2,0.0
NC(=O)c1cccc2c1c1ncnc(N3CC[NH+](CCc4ccc(F)c(F)c4)CC3)c1n2Cc1ccncc1,0.0
CC1=NN(C(=O)c2ccccc2O)C(=O)/C1=C/c1ccccc1O,0.0
Nc1[nH][nH+]c2ccc(CN3C(=O)N[C@H](CCc4ccccc4)[C@@H](O)[C@H]3Cc3ccccc3)cc12,0.0
N#C/C(C(=O)C1CC1)=C(/[O-])Nc1ccc(S(=O)(=O)C(F)(F)F)cc1,0.0
COc1ccccc1COCCCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2OCc2cccc3c2NCCC3)cc1,0.0
COc1ccc(-c2cccc(-c3nc(N)nc(SC)n3)c2)cn1,0.0
[NH2+]=C1Nc2ccccc2[C@H]2CCC[C@@]12F,0.0
O=C(CNO)Cc1c[nH]c2ccc(Br)cc12,0.0
CCN(C(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1)C1CCCCC1,0.0
C/C(=C\CO[P@@](=O)([O-])OP(=O)([O-])[O-])CC/C=C(\C)COC(=O)c1cccc(C(=O)c2ccccc2)c1,0.0
C[N@@H+]1CCCn2cc(c3ccccc32)C2=C(C(=O)NC2=O)c2cn(c3ccccc23)CCOCCOCC1,0.0
CCc1oncc1C(=S)Nc1ccc(OC(F)(F)F)cc1,0.0
O=Nc1c2n3cc(C(=O)[O-])[nH]c3c([O-])[nH+]c-2c2ccccc12,0.0
Cc1cc(OCC/C=N/[NH+]=C(N)N)cc(OS(=O)(=O)c2cccc3cccnc23)c1,0.0
Oc1ccc(C2=c3ccc4n3[C@@H]3C(=CC=4)CCC[C@@H]23)cc1,0.0
NC(=O)Nc1sc(-c2ccc(F)cc2)cc1C(N)=O,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=C(c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1)N1CCc2ccccc2C1,0.0
COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@@H](C)C(=O)NCCCc2nnn[n-]2)C(C)C)ccc1OC,0.0
Cc1[nH+]c(N)ccc1CNC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2ccc(F)c3ccccc23)c1F,0.0
CCc1ccc(-c2c(-c3cc(C)no3)c(=O)[nH]c3ccc(Cl)cc23)cc1,0.0
Nc1nc([O-])c2[nH]cc(Cc3cccnc3)c2n1,0.0
Cc1cc(-n2ccnc2)cc2[nH]c(-c3c(N[C@H](CO)Cc4ccccc4)cc[nH]c3=O)nc12,0.0
CC(=O)Nc1cccc(N(CC2CCCC2)C(=O)Nc2ncc(Cl)s2)c1,0.0
O=S(=O)([N-]c1cc(Cl)cnc1Oc1cncc(Cl)c1)c1ccc(Cl)c(Cl)c1,0.0
O=C(CCCCCCC(=O)Nc1cccc(-c2cnnn2C[C@@H](O)c2cccc(Br)c2)c1)NO,0.0
Cc1oc(-c2ccccc2)nc1COc1ccc(CCC[C@H]2OC(=O)NC2=O)cn1,0.0
CC(=O)N[C@@H]1[C@@H]([NH3+])CC(C(=O)[O-])=C[C@H]1OC1CCCCC1,0.0
N#CCc1ccc2cc(Br)c(C(F)(F)P(=O)([O-])[O-])cc2c1,0.0
O=C(N[C@@H](Cn1cncn1)c1ccccc1)N[C@H]1CC[N@H+](Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1,0.0
CCc1c(C)[nH]n(-c2nnn[n-]2)c1=O,0.0
NS(=O)(=O)c1nnc(NC(=O)CCNC(=O)c2c(F)c(F)c(F)c(F)c2F)s1,0.0
COCC(=O)Nc1cccc2c1Cc1c-2n[nH]c1-c1csc(C#CCOc2ccccc2)c1,0.0
CN(Cc1c2ccccc2cc2ccccc12)C(=O)[C@@H]1CC(=O)N([C@@H]2C[C@@H]3CC[C@H]2C3)C1,0.0
O=C(CSc1nnnn1-c1cccc2ccccc12)Nc1ccccc1[N+](=O)[O-],0.0
OCCCCC1=Nc2ccccc2-c2ncnc3[nH]cc1c23,0.0
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
O=C1[C@H]2C[C@H]2C(=O)N1c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F,0.0
O=c1c(=O)c2ccc(OCCCC(F)(F)F)cc2c1=O,0.0
Nc1nc(=O)c2[nH]cc([C@@H]3N[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1,0.0
Cc1ccc[nH+]c1N[C@@H](P(=O)([O-])[O-])[P@](C)(=O)[O-],0.0
COc1ccc(S(=O)(=O)N(C)c2c(C(=O)N[O-])cnc3c(Br)cccc23)cc1,0.0
C[C@@H](/N=C1\C(=O)C(=O)[C@H]1Nc1cc[nH+]cc1)c1ccccc1,0.0
C[NH+](C)[C@@H]1CCC[C@H]1Nc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F,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
Cc1cc(C)n(-c2cc(NC(=O)C[N@@H+]3CCCOCC3)nc(-c3ccc(C)o3)n2)n1,0.0
N#Cc1ccc(N2N=C3c4ccc(C(=O)[O-])cc4CO[C@@H]3[C@@H]2c2ccc(F)cc2)cc1Cl,0.0
O=c1[nH]cnc2c1ncn2CC[C@@H]1C[C@H]1C(F)(F)P(=O)([O-])[O-],0.0
Cn1c2cc(S(=O)(=O)CCCn3cccc3)c(O)cc2c2c3c(c(-c4ccccc4Cl)cc21)C(=O)NC3=O,0.0
O=CN(O)C[C@@H](CC1CC1)C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1,0.0
C=CC[C@H]1Oc2cccc(OC(F)F)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,0.0
CC1(C)[NH+]=C(N)N=C(N)N1c1cccc(COC2CCCCC2)c1,0.0
COCCOCOc1cc(C)c(-c2ccc(/C=C/C(=O)[O-])cc2Cl)cc1[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2,0.0
O=S(=O)([N-]c1ccc2c(c1)CC[N@@H+](Cc1ccn[nH]1)CC2)c1ccc(N2CCOCC2)[nH+]c1,0.0
O=c1c2cc(F)ccc2nc(C#Cc2ccccc2F)n1-c1ccccc1Cl,0.0
CC(C)CNC(=O)[C@H]1[C@@H](C(=O)[O-])[C@H]2C=C[C@@H]1C2,0.0
Cc1ccccc1-c1cc([C@@H](OCc2cnc(Cl)c(Cl)c2)c2c[nH+]cn2C)ccc1C#N,0.0
N#Cc1ccc2cc1Oc1cccc(c1)[C@@H](c1cccc(Cl)c1)N1CC[C@@H](NCc3c[nH+]cn3C2)C1=O,0.0
O=C1/C(=N\O)c2ccc(-c3ccccc3)cc2N1Cc1cc(F)cc2c1OCOC2,0.0
C[C@](O)(CSc1ccc(Cl)c(Cl)c1)c1cc2cc(Cl)c(C(F)(F)F)cc2[nH]1,0.0
Cc1cc(-c2cc(-c3ccccc3)cc(N(C)CC(C)C)[nH+]2)ccc1O,0.0
COc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc32)c1C,0.0
Cc1ccc(C(=O)N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1,0.0
Nc1nn2cccnc2c1-c1cc(NCc2ccccn2)ncn1,0.0
O=C1NCc2c3c(c4[nH]c5ccccc5c4c21)CCc1ccccc1-3,0.0
O=C1NCCn2c(CCc3ccccc3)nc3cccc1c32,0.0
NC(=[NH2+])c1cc2c(O[C@H](CNCc3ccccc3)c3ccccc3)cccc2s1,0.0
c1ccc(-c2cc(CCCC[NH+]3CCN(C(c4ccccc4)c4ccccc4)CC3)on2)cc1,0.0
Cc1nsc(NC(=O)c2cc(Sc3nncn3C)ccc2N)n1,0.0
O=S(=O)(N[C@@H](Cc1ccc([C@@H]2CC([O-])=NS2(=O)=O)cc1)C1=[NH+]C[C@@H](Cc2ccccc2F)N1)c1cccc(F)c1,0.0
NC(=[NH2+])CCCC[C@H]1C(=O)O[C@H]2Cc3ccc(-c4ccc(O)cc4)cc3[C@@H]21,0.0
O=C(c1ccc(Br)cc1)c1cn(Cc2c[nH]cn2)cc1-c1cccc2ccccc12,0.0
CCOc1ccc(-c2snnc2-c2cc(CC)c(O)cc2O)cc1,0.0
O=C([O-])Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2ccc(N3CCOCC3)cc21,0.0
CC[NH+](CC)CCNc1cc(Nc2cc(O)ccc2C)nc(-n2cnc3ccccc32)n1,0.0
CCC[N@H+](CCCOc1cccc(Cl)c1)[C@@H]1CCc2ccc3[nH]ccc3c2C1,0.0
CC(C)(C[C@](O)(Cc1ccc2ccccc2c1)C(=O)Nc1ccc2c(c1)COC2=O)c1ccccc1,0.0
COc1cc(C(=O)/C=C/c2cc(O)c(O)c([N+](=O)[O-])c2)cc(OC)c1OC,0.0
Nc1nc(N)c2nc(CN3c4ccccc4Cc4ccccc43)cnc2n1,0.0
C=C[C@H](CCc1ccccc1)CC(=O)C(F)(F)c1ccc(Cc2ccccc2)cc1,0.0
Cc1cc(NC(=O)Nc2ncc(CCNc3cc(Nc4ncn[nH]4)ncn3)s2)c(C(F)(F)F)o1,0.0
O=c1nc(NO)c(F)cn1[C@H]1C[C@H](O)[C@@H](COP(=O)([O-])[O-])O1,0.0
C[NH+]1CCN(CCOc2ccc(-c3cccc(N)[nH+]3)c3c2CCC3)CC1,0.0
Cn1ncc2nc(N3CCC[C@@H]([NH3+])C3)n(Cc3ccccc3C#N)c2c1=O,0.0
CC(C)(CNC(=O)c1ccc2[nH]cnc2c1)[NH2+]CC(=O)N1C[C@@H](F)C[C@H]1C#N,0.0
Cc1cc2c(F)c(Oc3ncnn4cc(OC[C@@H](C)O)c(C)c34)ccc2[nH]1,0.0
O=CNc1cc([C@@H](O)C[NH2+]CCCCNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)ccc1O,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=C1NN(c2ccc(I)cc2)C(=O)/C1=C\c1ccccc1,0.0
Cc1nn(-c2cccc(N)c2)c2oc3ccccc3c(=O)c12,0.0
[O-]c1ccc(Cc2cc(Cc3cccc(Cl)c3)c3occc3c2)nn1,0.0
NC(=O)c1cccc(NCC2=CC[C@H](c3cc(F)c(F)c(F)c3)[C@@H]([NH3+])C2)c1,0.0
c1ccc(Oc2ccc(N3CC[NH2+]CC3)cc2)cc1,0.0
CCCN1C[C@@H](c2ccccc2)O[C@H]2c3cc(O)ccc3CC[C@@H]21,0.0
C[C@]12Cn3c[nH+]c(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@](C)(O)Cc1ccc(F)cc1,0.0
O=C(/C=C/c1ccccc1Sc1ccc(Cl)cc1Cl)NCCCn1cc[nH+]c1,0.0
C[C@H](c1ccncc1)N1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)[C@@H](C)C1,0.0
CC(C)(C)[NH2+]CCCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc21,0.0
NC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])CCCN/C(N)=N\[N+](=O)[O-])C[N@H+]1Cc1ccccc1,0.0
C[N@H+]1CC[C@H](COc2cccc3ncnc(Nc4c(Cl)ccc5c4OCO5)c23)CC1,0.0
Cc1ncc2n1C(=O)N(C1CCN(C(=O)[C@H](O)CS(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC1)C2,0.0
O=C(NCCCN1CCCC1=O)c1cnccc1Nc1nc(-c2cc(Br)ccc2F)nc2nccnc12,0.0
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[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NC[C@@H](O)CN1CCOCC1,0.0
COc1cc2[nH+]ccc(Oc3ccc4c(C(N)=O)cccc4c3)c2cc1OC,0.0
O=C1NC(=O)[C@](CN2Cc3ccc(F)cc3C2=O)(c2ccc(N3CCCC3=O)cc2)N1,0.0
O=S1(=O)N=C([O-])CC12c1cc(F)ccc1-c1ccc(F)cc12,0.0
O=C([O-])c1ccc2c(c1)C(=O)N([C@@H](Cc1ccc(O)cc1)C(=O)[O-])C2=O,0.0
CC(C)C[C@H](NC(=O)COc1cccc2ncccc12)C(=O)N[C@H]1CC(=O)O[C@@H]1O,0.0
C=CC(=O)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2n1,0.0
C[C@H](NC(=O)[C@@H](CCc1cccc[n+]1[O-])NS(=O)(=O)Cc1ccccc1)C(=O)NCc1cc(Cl)ccc1C[NH3+],0.0
Nc1c(-c2nc3ccccc3[nH]2)c(=O)[nH]c2sccc12,0.0
N#Cc1ccc(Cn2cnnc2CN(Cc2ccc(F)cc2F)C(=O)c2ccc3ccccc3n2)nc1,0.0
O=C1C[C@H](O)C[C@@H](/C=C/c2c(Cl)cc(Cl)cc2-c2ccc(F)cc2)O1,0.0
CC(C)c1csc(NC(=O)[C@H](CC2CCOCC2)c2ccc(S(C)(=O)=O)cc2)n1,0.0
COc1cc(Nc2nc3cccc(-c4ccc([N-]S(C)(=O)=O)cc4)c3o2)cc(OC)c1OC,0.0
O=C(NO)[C@H](CCn1nnc2ccccc2c1=O)CSc1ccc(-c2ccc(Cl)cc2)cc1,0.0
CC(=O)N[C@@H](C(=O)N1CCSCC1)[C@H]1C[C@@H](C(=O)[O-])C[C@@H]1[NH+]=C(N)N,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
CC1(C)CC(NC(=O)c2cccc(-c3cc4nccc(Nc5cccc(O)c5)n4n3)c2)CC(C)(C)N1O,0.0
CC(=O)C1=NN(c2cc(F)ccc2F)C[C@]1(CCC[N@@H+](C)Cc1cc(C)no1)c1ccccc1,0.0
O=C([O-])[C@@H]1[C@@H](CC2CC[NH2+]CC2)C(=O)N1C(=O)N1CCN(C(=O)Cc2ccc3c(c2)CCCC3)CC1,0.0
C#Cc1cc(O[C@H]2CCOC2)cc([C@@H](Nc2ccc(C(N)=[NH2+])cc2)C(=O)[O-])c1,0.0
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
NS(=O)(=O)[N-]c1ccc(-c2ccc(C(F)(F)F)c(F)c2)cn1,0.0
C[C@@H]1CN(Cc2ccc3nccnc3c2)C[C@H]1c1nc2c(cnn2C2CCCC2)c(=O)[nH]1,0.0
CC(=O)c1ccc([C@H]2C[C@]3(C)[C@@H](CC[C@]3(O)CCCO)[C@@H]3CCC4=CC(=O)CCC4=C32)cc1,0.0
Cc1c(C(=O)CS(=O)(=O)c2ccccc2)sc2ccccc12,0.0
Cc1nc2ccccc2n1-c1ccc(-c2nnc(C3(c4ccc(Cl)cc4)CCC3)n2C)c(Cl)c1,0.0
Nc1nccc(Nc2ccc3[nH]nc(-c4ccc[nH]4)c3c2)n1,0.0
O=S(=O)(/N=C(\[O-])c1cc2ccccc2n1Cc1cccc(C(F)(F)F)c1)c1ccccc1C(F)(F)F,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
CCC1(CC)OC(NC2Cc3ccccc3C2)=NC1=O,0.0
CC(=O)c1cccc2c1S(=O)(=O)c1ccccc1O2,0.0
CC(C)=C(c1ccncc1)c1ccc(-c2ccc(O)c(O)c2)cc1,0.0
O=C1C=C(C2CCCCC2)c2ccccc2C1=O,0.0
CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)[NH2+]C[C@H](O)COc1cccc2[nH]c(=O)n(CCC3CCCC3)c12,0.0
COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@@H+](CCCCOc1cccc([C@@H](C)N3CCOCC3)c1)C2,0.0
COc1cccc2c1[C@@H]1CCN(CCCCNC(=O)C3=NCc4ccccc4C3)CC1=N2,0.0
Nc1nccc(Oc2ccc(NC(=O)NC(=O)Cc3ccc(F)cc3)cc2F)c1C#CCO,0.0
CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](CSc1ccc2ccccc2c1)NC(=O)c1cccc2[nH]ccc12,0.0
C[N@@H+]1CCCC[C@@H]1c1nc([O-])c(O)c(C(=O)NCc2ccc(F)cc2)n1,0.0
NC(N)=NC(=O)c1nc(-c2ccoc2)c(NCCCc2ccccc2)nc1N,0.0
c1cnn2ncc(-c3ccnc(Nc4ccc5c(c4)OCO5)n3)c2c1,0.0
CCOCCOCn1c2c(c(=O)[nH]c1=O)CNc1ccccc1S2,0.0
Cc1cnc(NCC(c2ccccc2)c2ccccc2)c(=O)n1CC(=O)NCCONC(N)=[NH2+],0.0
c1ccc(Nc2ncc(-c3ccnc(OC4CCCCC4)n3)s2)nc1,0.0
CN1C(=O)[C@H](NC(=O)c2cc3ccccc3[nH]2)Cc2ccccc21,0.0
CNC(=O)Oc1cccc(C[N@H+](C)CCCOc2ccc3c(c2)O/C(=C\c2cc(O)c(O)c(O)c2)C3=O)c1,0.0
O=C([O-])CN1CC(=O)N(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1=O,0.0
Cc1cc(C#N)sc1-c1ccc2c(c1)C1(CCCCC1)O[C@@H](C)N2,0.0
C[C@H]1C=CC(c2nn(C3=CCCC(C(=O)NCc4ccc(P(=O)([O-])[O-])c(P(=O)([O-])[O-])c4)=C3)c3ncnc(N)c23)=CC1,0.0
CC[C@H]1Oc2c(ccc(O)c2C)-c2ccc(O)c(C)c21,0.0
CC(C)(C)Oc1ccccc1Nc1nc(NCCO)nc(N2CCCC2)n1,0.0
CC(C)CCN1CCc2c(Br)cc3[nH]c(=O)c(=O)[nH]c3c2C1,0.0
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
c1ccc(C[N@H+]2CC[C@H](CCNc3cc4c([nH+]n3)-c3ccccc3CCC4)CC2)cc1,0.0
COc1ccc(CSc2nc([O-])cc(C(F)(F)F)n2)cc1,0.0
O=C([O-])COc1c(C(=O)[O-])sc(-c2ccc3cc[nH]c3c2)c1Br,0.0
Cc1ccccc1CNC(=O)c1cc(-c2ccco2)nc(N)n1,0.0
Cc1cnc(Nc2ccccc2)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(F)c2)c1,0.0
C[NH+](C)CC/C=C1/c2ccccc2COc2ccccc21,0.0
CN1C(=[NH2+])N[C@](CCC2CCCCC2)(CC2CCCCC2)C1=O,0.0
COC(=O)c1sc(-c2cccs2)cc1NC(=O)/C=C/C(=O)[O-],0.0
O=C(/C=C/[C@H]1CC[C@H](c2ccc(O)cc2)CC1)NO,0.0
NS(=O)(=O)Nc1ccc(-c2ccc3c(c2)C(F)(F)OC(F)(F)O3)cc1,0.0
CC[C@]1(CC(=O)[O-])CC[C@H](Cc2ccccc2)c2c1[nH]c1ccccc21,0.0
O=C[C@@H]1NN(c2ccc(F)cc2)[C@H]2[C@@H](Cc3ccc4ccccc4c3)CCC[C@@H]21,0.0
O=C([O-])c1ccccc1N/N=C/c1ccc(-c2ccccc2Cl)o1,0.0
CCc1cc([C@@]2(c3cccc(-c4cncnc4)c3)[NH+]=C(N)N(C)C2=O)ccn1,0.0
COC(=O)c1ccc(/N=C2\SNC(=O)[C@H]2C(=[NH2+])NCC2CCCCC2)cc1,0.0
CCOC(=O)/C([O-])=C/C(=O)c1ccc2c(c1)c(=O)c(C(=O)/C=C(\[O-])C(=O)OCC)cn2Cc1ccc(F)cc1,0.0
COc1cc(N2CC[NH+](C(C)C)CC2)ccc1Nc1nc2[nH]ccc2c2nc3cccc(F)c3c(=O)n12,0.0
C[C@@H]1CCC[C@H](C)N1C(=O)c1cc(Cl)c(N)c(Cl)c1,0.0
Nc1ccc2[nH]c(-c3cc(CC(=O)[O-])cc(-c4cccc([N+](=O)[O-])c4)c3O)cc2[nH+]1,0.0
CCOCC[C@@]1(Oc2ccc(Oc3ccc(-c4noc(-c5ccccc5)n4)cc3)cc2)C(=O)NC(=O)N=C1[O-],0.0
CCCC/C(=C\Cn1oc(=O)nc1[O-])c1cccc(OCc2cc(Cl)cc(Cl)c2)c1,0.0
Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccn2)cc1/C=C/n1cnc2cncnc21,0.0
O=C(Nc1cccc([C@H](c2c(O)c3c(oc2=O)CCCCCC3)C2CC2)c1)c1ccccc1,0.0
C[NH+](C)CCS(=O)(=O)NC[C@H]1CC[C@@H]2[C@H](O1)c1cc(Cl)cc(F)c1N[C@H]2c1ccccc1,0.0
O=C(C[C@@H]1C=Cc2ccccc2NC1=O)NO,0.0
COc1cccc2c1CCC[C@H]2C[N@H+](C)CCc1ccc2ccoc2c1,0.0
CC(C)(C)c1ccc(Nc2nc(NCc3cccnc3)ncc2-c2nnn[n-]2)cc1,0.0
N#Cc1cnc2ccc(-c3ccc(C[NH3+])cc3)cc2c1N[C@@H]1C[C@H]1c1ccccc1,0.0
Oc1cc2c(cc1O)[C@@H]1c3ccc(O)c(O)c3OC[C@]1(O)C2,0.0
O=C(CC(=O)c1ccc(Cc2ccc(F)cc2)o1)c1nc[n-]n1,0.0
Cc1nc(-c2ccc(Cl)s2)c(-c2ccc(S(N)(=O)=O)cc2)o1,0.0
Nc1cc(-n2ccc(C(=O)c3ccccc3)c2)cc(F)c1O,0.0
CCCNC(=O)c1cc(O)c(O)c(O)c1,0.0
COc1cccc([C@@H]2CCO[P@](=O)(COc3cc(C)c(C)c4c3-c3ncsc3C4)O2)c1,0.0
Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cccc(CC(=O)N2CCCCC2)n1,0.0
CCc1c(C(=O)C(N)=O)c2c(OCC(=O)[O-])cccc2n1C(=O)c1ccccc1,0.0
C/C(=C\c1nc(C(=O)[O-])c[nH]1)c1cc2c(cc1C)C(C)(C)CCC2(C)C,0.0
O=C(Nc1nccs1)c1nc(Sc2ncn[nH]2)ccc1Sc1ccccc1F,0.0
Nc1nn(-c2cccc(-c3ccc4c(c3)NC(=O)C4)c2)cc1-c1ccc2c(c1)CCNC2=O,0.0
O=C(Nc1ncnc2oc(-c3cccnc3)cc12)C1CCCC1,0.0
O=C(CCCCCCc1nnc(-c2ccc(-c3ccccc3)cc2)o1)c1ncco1,0.0
CC[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CSCc1ccccc1)n1ccnc(NC[C@@H]2COc3ccccc3O2)c1=O,0.0
[NH2+]=C1Nc2cc(CCNCc3cccc(Cl)c3)ccc2[C@H]2CCC[C@@H]12,0.0
Cc1ccc2nc(N)[nH]c(=O)c2c1Sc1ccncc1,0.0
O=C(NC1CCCCC1)c1n[nH]cc1NC(=O)c1c(F)cccc1F,0.0
Cc1cc(-c2nc(C(F)(F)F)ns2)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)[O-],0.0
O=P([O-])([O-])[C@H]([NH2+]C1CCCCCC1)[P@@](=O)([O-])O,0.0
C[C@H](Oc1cc(-c2cnn(C3CC[NH2+]CC3)c2)c[nH+]c1N)c1c(Cl)ccc(F)c1Cl,0.0
COc1ccccc1/C(=C\c1coc2[nH+]c(N)nc(N)c12)C1CC1,0.0
Cc1c(N2C[C@@H]3[C@H](O)CC[C@@H]3C2=O)ccc(C#N)c1Cl,0.0
COc1ccccc1NC(=O)CC1(CC(=O)N[C@H]2[C@@H]3C[C@H]4C[C@@H](C3)C[C@@H]2C4)CCCC1,0.0
N#Cc1ccc(COCc2cncn2Cc2ccc(C#N)cc2-c2ccc3c(c2)OCO3)c(-c2ccc3c(c2)OCO3)c1,0.0
O=[S@@](Cc1[nH]c2ccccc2c1Sc1ccccc1)c1ccccc1,0.0
C[C@@H](NC(=O)CNC(=O)Nc1ccc(C(N)=[NH2+])c(F)c1)c1ccc2c(c1)NC(=O)CO2,0.0
Cc1nnc(-c2cn3ncnc(Nc4cnc5[nH]ccc5c4)c3c2C(C)C)o1,0.0
O=C(CCCC[C@@H]1CCSCS1)Nc1ccc2c(c1)C[C@H](C(=O)[O-])OC2,0.0
O=C1[C@@H]2[C@H](C(=O)N1c1ccc3cccnc3c1)[C@H]1C=C[C@@H]2C1,0.0
COc1ccc([C@@H](Cc2cc([N+](=O)[O-])ccc2OC)c2cn(C)c(N)[nH+]2)cc1,0.0
O=C(Nc1ccccc1)N(Cc1ccc(O)cc1)Cc1cccc(Cl)c1O,0.0
CN1C(=O)c2c(n[nH]c2Cc2ccccc2)N2C1=[NH+][C@@H]1CCC[C@@H]12,0.0
C[C@H]1CCC[C@@H]1Oc1cccc(-c2nc3cc(F)c(C(N)=[NH2+])cc3[nH]2)c1O,0.0
O=C1c2ccccc2[C@]2(c3cccc4ccccc34)SCCN12,0.0
CN(C)C1=[NH+]CCN1Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1,0.0
Cn1cnnc1[C@H](c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C,0.0
c1ccc(Nc2ncnc3n[nH]c(Nc4ccccc4)c23)cc1,0.0
Cc1c2cc(O)c(=O)cc-2oc2cc(O)c(O)cc12,0.0
Nc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1,0.0
CNc1nccc([C@H](C#N)c2nc3ccccc3s2)n1,0.0
Nc1c(C(=O)c2ccc(F)cc2F)cc[n+]([O-])c1-c1cccc2c1OCO2,0.0
[NH3+]CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(Cc2ccc(C(=O)NC3Cc4ccccc4C3)cc2)n1,0.0
Oc1cc(-c2ccoc2)c2oc(-c3ccc(O)c(F)c3)nc2c1,0.0
O=C1OCCN1[C@H]1CC[N@H+](CCOc2ccc(Oc3nc4ccccc4s3)cc2)CC1,0.0
Cc1cccc2c(=O)[nH]c(-c3ccc([N+](=O)[O-])cc3)nc12,0.0
CCn1ncc2c(NCc3ccc(OC)c(Cl)c3)c(C(=O)NC[C@@H]3CCCO3)cnc21,0.0
C/C(=N\OCCOc1ccc(C[C@H]2SC(=O)NC2=O)cc1)c1cccc(-c2ccccc2)c1,0.0
Nc1nccc(-c2cc3c([nH]2)[C@@H](CCF)CNC3=O)n1,0.0
C=Cc1cccc(-c2c(-c3ccc4nccnc4c3)n(C)n(C)c2=O)c1,0.0
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
CCCC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)c1ccc(OC)cc1)C(C)(C)C,0.0
O=c1[nH]c2c(n3ccnc13)[C@]1(CCCC[NH2+]1)c1ccccc1-2,0.0
CCOC(=O)c1cn2c3c(nc([O-])c2n1)-c1ccccc1C3,0.0
COC(=O)CCC/C=C(/c1ccc(C#N)cc1)c1cc(C)c2onc(OC)c2c1,0.0
CC1(c2cc(NC(=O)Nc3ccccc3)n(-c3ccccc3)n2)CCCCC1,0.0
CN(C(=O)[C@H](Cc1ccc([C@H]([NH3+])NN)cc1)NS(=O)(=O)c1cccc2c1CCCC2)C1CCCC1,0.0
C[C@](CCC(=O)[O-])(NC(=O)c1ccc(CC[C@H]2CNc3[nH+]c(N)nc(N)c3C2)o1)C(=O)[O-],0.0
Nc1nc(-c2ccccc2)c2c(n1)-c1cc(CNN3CCCC3)ccc1C2=O,0.0
C[C@@]1(CC(=O)[O-])c2[nH]c(=O)c(=O)[nH]c2-c2cc(Cl)cc(Cl)c21,0.0
O=[N+]([O-])c1cc2[nH]c([O-])c([O-])[n+](=O)c2cc1-n1ccnc1,0.0
Cn1c(=O)c(Nc2ccc(NC(=O)c3ccon3)cc2)nc2ccccc21,0.0
[NH3+][C@H]1CC[C@H](Nc2nc(NCC3CC3)c3ncn(C4CCCC4)c3n2)CC1,0.0
O=C(Nc1sc2c(c1C(=O)N1CCCCC1)CCCC2)c1cccs1,0.0
CC(/C=C/c1ccncc1-c1cc(C(C)C)cc(C(C)C)c1OCC(F)(F)F)=C\C(=O)[O-],0.0
O=S(=O)(CCCc1ccccc1)[N-]c1ccc(CC[NH2+]C[C@H](O)COc2ccc(O)cc2)cc1,0.0
Cc1c(CNc2cccc3ncccc23)cnc2[nH+]c(N)nc(N)c12,0.0
C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@H](NC(=O)c3ccc4occc4c3)[C@H]21)C(C)(C)C,0.0
C[C@]12CCc3c(ccc4cc(O)ccc34)[C@@H]1CC[C@H]2O,0.0
O=C1N=C([O-])C(n2ccc3ccccc32)=C1n1ccc2ccccc21,0.0
O=C(NCCCc1nnc([S-])[nH]1)c1ccc(OCc2ccnc3ccccc23)cc1,0.0
O=C(NO)C1(NS(=O)(=O)c2ccc(Oc3ccc(F)cc3)cc2)CCCCC1,0.0
O=C1O[C@](O)(c2ccc(O)c(Cl)c2)c2ccc([N+](=O)[O-])c3cccc1c23,0.0
C[NH+]1CCN(c2cnc3cc(C(F)(F)F)cc([N-]S(=O)(=O)c4cccc([N+](=O)[O-])c4)c3n2)CC1,0.0
Cc1cc(=O)[nH]c2ccc3c(c12)COc1cccc(CO)c1-3,0.0
Cc1c(C)c2ccc(OCc3csc(C(C)C)n3)cc2oc1=O,0.0
COc1ccc(CCc2ccc(C(=O)[O-])cc2)cc1Cc1cnc(N)nc1N,0.0
COc1ccccc1Cc1c(C(=O)c2ccc(C)cc2C)oc2cc(O)ccc12,0.0
O=S(=O)(c1ccccc1)c1c(C2=[NH+][C@H]3CCCC[C@@H]3N2)[nH]c2ccc(Cl)cc12,0.0
Nc1ncc(-c2ccc(C(F)(F)F)cc2)c(-c2c[nH]c3ccccc23)n1,0.0
[NH3+]CCCCN(C(=O)c1ccc2c(c1)CCO2)c1ccnc(N[C@H]2CC[C@H](O)CC2)n1,0.0
Cc1c(-c2nc3ccccc3[nH]2)cn2ncc(C#N)c(Nc3ccc(Oc4ccccc4)cc3)c12,0.0
Cc1cccc(-c2ccc3c(n2)CCc2c-3nc3ccc(F)cc3c2C(=O)[O-])c1,0.0
[NH3+]Cc1ccc(-c2cc3ccncc3cc2OC2CC[NH2+]CC2)cc1,0.0
O=C([O-])CCc1ccccc1OCC1[C@@H](Br)CCC[C@@H]1Br,0.0
O=C1NC(=O)[C@@H](Cc2cc(I)c(Oc3ccc(O)c(C4CC4)c3)c(I)c2)N1,0.0
C/C(=C1\CC(=O)N(c2ccc(C(C)(C)C)cc2)C1=O)c1cccc(C(N)=[NH2+])c1,0.0
CCS(=O)(=O)c1cc(-c2cc(C(=O)Nc3ccccc3)cc3ccc(C(N)=[NH2+])cc23)co1,0.0
NC(N)=Nc1ccc(NC(=O)c2cc3cc4ccccc4cc3cc2O)cn1,0.0
[NH3+]Cc1ccc(CCC[NH2+]CCNS(=O)(=O)c2ccc3c(c2)CNCC3)cc1,0.0
NS(=O)(=O)c1ccc(/N=N\c2c(O)[nH]c3ccc4n[nH]nc4c23)cc1,0.0
Cn1cc(-c2cnc(N)c(NCc3c(Cl)cccc3Cl)n2)cn1,0.0
[NH3+][C@@H](CCN1CCC[C@H]1c1nc(-c2ccccc2)no1)Cc1ccccc1F,0.0
C[C@@H](c1nc(-c2ccc(S(C)(=O)=O)cc2Cl)no1)[C@H]([NH3+])Cc1cc(F)c(F)cc1F,0.0
CC[N@@H+]1CC[C@@H]2[C@@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1,0.0
Cn1cnc2ccc(-c3c(-c4ccccn4)nn4c3CCC4)cc21,0.0
Cc1ccc2c(c1)c(-c1ccnc3c(C)cccc13)c(C)n2CC(=O)[O-],0.0
O=C([O-])Cc1nn(Cc2nc3cccnc3s2)c(=O)c2ccccc12,0.0
CCc1cc(NCN2C(=O)c3ccccc3C2=O)c(=O)[nH]c1C,0.0
O=C([O-])c1cc(/C=C/c2cc(O)ccc2O)ccc1O,0.0
O=C(Nc1cc(CN[C@H]2Cc3ccc(Cl)cc3C2)n[nH]1)Nc1cccc2c1[C@H]1CCCN1C2=O,0.0
Cc1c(Oc2ccc(Cl)c(O[C@@H](C)C(=O)[O-])c2)c2cc(OC(F)(F)F)ccc2n1-c1noc2cc(Cl)ccc12,0.0
O=C1NC(CCC[N@@H+]2CC=C(c3ccccc3)CC2)=N[C@@H]2CCCCC[C@H]12,0.0
CCOC(=O)C1(c2ccc3c(C)cc(Oc4ccc(C(N)=[NH2+])cc4)nc3c2)CCCC1,0.0
C[C@H]([NH3+])C(=O)Nc1nc(-c2ccc(Br)cc2)c(-c2ccccc2)s1,0.0
NC(=O)c1cc(C(=O)N2CCC(c3cc(C[NH3+])ccc3F)CC2)cc(-c2nc(-c3cccs3)no2)c1,0.0
CC(C)S(=O)(=O)Oc1cccc2c(C[C@@H](C)[NH2+]C[C@H](O)c3cccc([N-]S(=O)(=O)c4cccs4)c3)c[nH]c12,0.0
Cn1nccc1CNC(=O)c1ccc2cc(-c3n[nH]cc3-c3ccccc3)[nH]c2c1,0.0
N#Cc1c(N)cccc1S(=O)(=O)c1ccc2ccccc2c1,0.0
Oc1ccc(CN(Cc2ccc(O)c(O)c2)c2ccc3c(c2)OCO3)cc1O,0.0
O=C(N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@@H](OCc2ccccc2)C[NH2+]1)[C@H]1CC(=O)N(CC2CC2)C1,0.0
C[C@H](NP(=O)(Oc1ccc([N+](=O)[O-])cc1)Oc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1C(=O)[O-],0.0
CN1CCN(C2=Nc3ccccc3Sc3ccc(OS(=O)(=O)C(F)(F)F)cc32)CC1,0.0
CCCCCCS(=O)(=O)c1ccc(C(=O)CCN2CCNC(=O)C2)c(Cl)c1,0.0
C=CCc1cccc(/C=N/NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)c1O,0.0
CC[N@@H+]1CCC[C@@](O)(c2cccc(Nc3ncc4c(=O)c(C(=O)NOC)cn(-c5cnc6c(c5)CCC6)c4n3)c2)C1,0.0
CC(C)c1ccccc1SC1=C([O-])O[C@](CCCCC(=O)NCCc2ccccc2)(c2ccccc2)CC1=O,0.0
[NH3+][C@H](Cc1ccccc1)[P@@](=O)([O-])C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-],0.0
c1ccc(-c2cc(-c3nnn[n-]3)cnc2-c2ccc(C[NH2+]Cc3ccc(-c4csnn4)cc3)cc2)cc1,0.0
Nc1nc(Nc2cccc(Br)c2)c2cc(Cc3ccc(Cl)cc3Cl)[nH]c2n1,0.0
C[NH+]1CCN(c2ccc(C(=O)Nc3n[nH]c4c3CN(S(=O)(=O)c3cc(F)cc(F)c3)CC4)cc2)CC1,0.0
CC(C)c1ccccc1Sc1ccc(-c2cc(N3CCC[C@@H](c4nnn[n-]4)C3)ncn2)cc1C(F)(F)F,0.0
CC(C)N(Cc1ccn(C)n1)C(=O)Cc1c(-c2ccccc2)[nH]c2ccccc12,0.0
CCC[C@H]1[NH2+]C[C@@H](O)[C@H](O)[C@H]1O,0.0
O=c1[nH]cnc2c(CN(Cc3ccccc3)C[C@H](O)CO)c[nH]c12,0.0
C/C=C(\C)CC(=C/C(=O)[O-])/C=C(C)/C=C1\CCCC(CC)=C1C(C)C,0.0
O=C(Nc1cc(Br)cc(C(F)(F)F)c1)[C@@H]1CC(=O)N(C2CCCCC2)C1,0.0
O=C1NC(=O)c2c1c(-c1ccncc1)cc1[nH]c3ccc(O)cc3c21,0.0
CNC(=O)[C@@H](NC(=O)c1ccc(-c2cccc(CNC(=O)c3ccnc(C(F)(F)F)n3)c2)o1)C1CCOCC1,0.0
O=C([O-])c1ccc(S(=O)(=O)Oc2ccc(-c3ccc(-c4coc5ccccc45)cc3)cc2)cc1O,0.0
Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])c(C)s2)cc1,0.0
O=c1[nH]c2cc(Cl)c(Cl)cc2cc1P(=O)([O-])[O-],0.0
Fc1cccc(F)c1[C@H]1SCc2nc3ccccc3n21,0.0
O=S(=O)(Nc1ccc2c(c1)CCN(Cc1cc[nH]n1)CC2)c1ccc(-c2ccccc2)cc1,0.0
Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Cc3ccc(-n4ccccc4=O)cc3F)cc12,0.0
C[C@@H](Nc1ncc(C#N)c(N2CCc3ccccc3C2)n1)c1ccccc1,0.0
O=C([O-])C1=C(C(=O)Nc2c(F)cc(-c3cccc(OC(F)(F)F)c3)cc2F)COC1,0.0
CN(CC(=O)Nc1ccc(Oc2ccccc2)cc1)C[C@H]1CCC[N@@H+]1Cc1ccc(C(=O)[O-])cc1,0.0
NC(=O)c1ccc(OCC2(NCC(=O)c3ccsc3)CCCC2)cc1,0.0
[NH3+][C@@H](C[C@@H](C/C=C/c1ccc(C(F)(F)F)cc1)C(=O)[O-])C(=O)[O-],0.0
Cc1cc(C)c(OC[C@@H](O)C[C@@H](O)CC(=O)[O-])c(C2CCCCCC2)c1,0.0
CC(C)(C[C@](O)(Cn1ccc(=O)c2ccccc21)C(F)(F)F)c1cccc2c1OCC2,0.0
CC(C)C[C@H](C(=O)NO)N(Cc1ccccc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F,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
COc1ccc([C@@]2(c3ccc(F)c(-c4cccnc4F)c3)NC(=[NH2+])N(C)C2=O)cc1C,0.0
COc1ccc2c(c1)CCC1=CC(=O)CC[C@@]12Cc1ccccc1,0.0
CC(C)(C)c1nc2c3cc[nH]c(=O)c3c3cc(F)ccc3c2[nH]1,0.0
CC(C)Nc1cc(-c2nc3cccnc3nc2-c2ccc(F)cc2)ccn1,0.0
C[C@@]1(c2cccs2)OCC(=O)Nc2ccc(-c3ccc(F)c(Cl)c3)cc21,0.0
Cc1cc(NC(=O)C(=O)[O-])cc(C)c1Oc1ccc(O)c2c1CCC2,0.0
Nc1onc(-c2ccc(Cl)cc2)c1C(=O)[O-],0.0
CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]CCc2ccccc2)cc(N2CCCC2=O)c1,0.0
O=C1NC(=O)c2cccc(NC(=O)C3CC3)c2C1=O,0.0
Oc1ccc([C@H]2Oc3cccc(O)c3[C@H]3CCC[C@H]32)cc1,0.0
Cc1c2ccc(N(C)c3cc[nH+]c(Nc4cccc(S(N)(=O)=O)c4)n3)cc2nn1Cc1ccccc1,0.0
CNc1cc(-c2cccnc2Oc2ccc(Cl)c(NC(=O)c3cccc(C(C)C)c3)c2)ccn1,0.0
O=C1Nc2ccc(Cl)c3c2[C@@](C(F)(F)F)(C=C(c2cccnc2)O3)N1,0.0
COc1ccc([P@@](=O)(OCCc2ccccn2)N2Cc3ccccc3C[C@@H]2C(=O)NO)cc1,0.0
C[C@H](C(=O)[O-])N1C(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O,0.0
O=C(N1CCCCC1)[C@@]12C[C@H]3C[C@@H](C1)C[C@](c1ccccc1)(C3)C2,0.0
N#Cc1cc(-c2ccc(O)cc2F)cc2ccc(O)cc12,0.0
Nc1ncnc2cc(CN3CCN(S(=O)(=O)c4nc5cc(Cl)ccc5[nH]4)CC3=O)ccc12,0.0
CC[NH+](CC)CCCNc1nccc2c(C)c3[nH]c4ncccc4c3cc12,0.0
CCO[C@@H](Cc1ccc(OC/C=C(\c2ccccc2)c2ccc(-c3ccco3)cc2)cc1)C(=O)[O-],0.0
Cc1cc(COc2ccc(S(=O)(=O)C[C@H](C3CCC4(CC3)OCCO4)N(O)C=O)cc2)c2ccccc2n1,0.0
CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)SCCCc1cccnc1,0.0
COc1ccc(F)cc1-c1ccc2c(c1)C(CSCCc1ccccc1)=CC(C)(C)N2,0.0
CCOC(=O)/C(C#N)=C\Nc1cccc(-c2ccccc2)c1,0.0
COC(=O)c1ccc(C(=O)Nc2ccc3c(c2)C(C)(C)CC(C)(C)S3)cc1,0.0
Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21,0.0
Nc1ccc(S(=O)(=O)[N-]c2ccnn2-c2ccccc2)cc1,0.0
Oc1ccc(-c2nn(C3CCCCC3)c3c(Cl)cccc23)cc1,0.0
Cc1ccccc1CC(C)(C)[NH2+]C[C@@H](O)c1ccc(O)c2c1OCC(=O)N2,0.0
Cc1ccc2nc(SC/C=C/c3ccccc3)n(Cc3ccccc3)c(=O)c2c1,0.0
COc1cccc2c1-c1ccc(NCc3ccccc3)cc1[C@@H](c1ccccc1)O2,0.0
C[C@@H]1C[C@H]([NH2+]CCc2ccccc2)[C@H](O)[C@H](O)[C@H]1O,0.0
O=S(=O)([N-]c1ccc(O)c(-c2c(O)ccc3ccccc23)c1)c1cc(Cl)ccc1Cl,0.0
NC(=O)Cc1c(C2CC2)n(Cc2ccccc2)c2ccc(O)cc12,0.0
Cc1cccc(C#N)c1Oc1ccc2ncnc(Nc3ccn(C)n3)c2c1,0.0
Cn1cncc1C(=O)N(Cc1cc(=O)[nH]c2c(F)c(F)ccc12)c1cccc(Cl)c1,0.0
Cc1c([C@H](C)c2c(F)cccc2F)nc(SC2CCCC2)[nH]c1=O,0.0
CN(C[C@H](C(=O)NO)[C@@H](CC1CCCC1)C(=O)N1CCCCC1)S(=O)(=O)C(F)(F)F,0.0
CCc1cc(-c2cccc(N)n2)c(OC)cc1C[NH+](C)C,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
Cc1cccc(Cl)c1Nc1nc2cc3c(cc2n2cncc12)OCCO3,0.0
CCCCCCCCCCCCCCOc1ccc(N2CCN(C(=O)c3ccc(Cc4noc([O-])n4)cc3)CC2)cc1,0.0
COc1ccc2nc(-n3ccnc3)nc(NCc3ccco3)c2c1,0.0
c1ccc(-c2nc3c4[nH]cnc4nc(-c4ccccc4)n3n2)cc1,0.0
NS(=O)(=O)c1ccc(Nc2cc(OC3CCCCC3)nc3ncnn23)cc1,0.0
FC(F)(F)c1cccc(Nc2ccccc2-c2nnc([S-])[nH]2)c1,0.0
CC(C)C[C@H](NC(=O)c1ccc(NCc2[nH]cc[nH+]2)cc1-c1cccc2ccccc12)C(=O)[O-],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=C([O-])CN1C(=O)O[C@@H](c2ccccc2)C1=O,0.0
N#Cc1ccc(Oc2ccccc2-c2ccccc2)cc1C(F)(F)F,0.0
COc1ccc2cnc(Nc3ccccc3)nc2c1C1CCCC1,0.0
NC(=[NH2+])c1ccc(CC(=O)C(=O)[O-])c(OCCNC(=O)c2ccc(C(=O)N3CCCC3)cc2)c1,0.0
NC1=[NH+][C@H](Cc2ccccc2)CCC1,0.0
Nc1nccc2c1ncn2CC=C(CO)CO,0.0
CCN(CC)c1cc(C)c2cc(NC(=O)[C@H]3CC[C@H](C)CC3)ccc2[nH+]1,0.0
O=C(CCn1c2c(c(=O)[nH]c1=O)CSCC2)NCC(=O)c1ccc(OC(=O)c2ccccc2)cc1,0.0
O=C1[C@H]2[C@@H]3CC[C@@H](C3)N2C(=O)N1c1cccc(C(F)(F)F)c1,0.0
NS(=O)(=O)c1ccc(NC(=O)CCCCCNc2ccn([O-])c(=O)n2)cc1,0.0
CC[C@H](c1ccc(-c2ccc(O)c(Cl)c2)cc1)n1cc[nH+]c1,0.0
Cc1c(CN(O)C=O)c2cc(Br)ccc2n1S(=O)(=O)c1ccccc1,0.0
NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c3c2-c2ccc(F)cc2CS3)cc1,0.0
CCn1c2ccccc2c2cc(/C=N\OCCO/N=C/c3ccc(O)c(O)c3)ccc21,0.0
CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)[O-],0.0
Nc1ccn([C@H]2CC[C@@H](CO)O2)c(=O)n1,0.0
Nc1nc2c(c(-c3ccc(Cl)cc3Cl)c1C[NH3+])CCc1ccccc1-2,0.0
O=C(N[C@H](Cc1cccc2ccccc12)C(=O)OCCCS)C1Cc2ccccc2C1,0.0
C[C@]1(c2cccc3ccccc23)C(=O)N(CCCn2cc[nH+]c2)C(=O)N1Cc1cccc(Oc2ccccc2)c1,0.0
CCCC[C@H](CC(=O)NO)[S@](=O)c1ccc2ccccc2c1,0.0
CC(C)(C)c1ccc2[nH]c3ccccc3c2c1,0.0
Cc1cc(OCP(=O)([O-])[O-])cc(C)c1Cc1ccc(O)c(-c2ccccc2)c1,0.0
CC(C)(CNC(=O)Nc1ccc(Cl)cc1)c1nc(-c2ccc(Cl)c(O)c2)c(-c2ccncc2)[nH]1,0.0
c1ccc2c(-c3nc4c(N5CCOCC5)cccc4[nH]3)n[nH]c2c1,0.0
Cc1c([N-]S(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(Cl)cc1F,0.0
O=C(CCCCCN(CCCc1ccccc1)C(=O)NC(=O)c1ccccc1)NO,0.0
C=CCn1nc(N)c2cc(-c3c(-c4ccccc4)nn4ccccc34)nnc21,0.0
NC(=O)N(c1c(F)cccc1F)c1nc(-c2ccccc2F)nc2c1ncn2Cc1ccccc1,0.0
O=C1Nc2ccccc2/C1=C1/Nc2ccccc2/C1=N\O,0.0
CC[NH+]1CCN(CCCOc2ccc3[nH]c(-c4cccc5c4C(=O)NC5)cc3c2)CC1,0.0
O=C(CCc1nnnn1-c1ccccc1)Cc1ccccc1,0.0
CS(=O)(=O)c1ccc(-n2cnc(Cl)c2-c2ccc3c(c2)CCO3)cc1,0.0
COc1ccc(-c2cc(=S)c3ccccc3o2)cc1,0.0
C[N@@H+]1CC[C@H](c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)[C@H](O)C1,0.0
Cn1cc(C2=C(c3cccc(NC[C@@H](O)CO)c3)C(=O)NC2=O)c2cc(F)ccc21,0.0
[NH3+][C@H]1CN(c2cc(-c3cccc(C(=O)[O-])c3)ncn2)C[C@H]1c1cc(F)c(F)cc1F,0.0
CC(=O)N1CCN(c2cc(-c3ccc(Sc4ccc5c(c4)OCCO5)c(C(F)(F)F)c3)cc[nH+]2)CC1,0.0
Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1-c1ccc(-c2cc(Br)c(O)c(Br)c2)cc1,0.0
NC(=[NH2+])c1ccc2cc(CCc3ccc4c(c3)CC[NH2+]C4)ccc2c1,0.0
CCCn1c2c(c3cccc(C(=O)[O-])c31)CCCCC2,0.0
CC1(C)CC(=O)C2=C(C1)NC(=S)N[C@@H]2c1cccc(O)c1,0.0
O=[N+]([O-])c1ccccc1CCn1ccc2ncccc21,0.0
[NH3+]CCNS(=O)(=O)c1ccc(-c2ccnc3[nH]ccc23)cc1,0.0
O=C([O-])C[C@H](c1c[nH+]c[nH]1)N(CCc1ccc(F)cc1)Cc1ccc(Oc2ccccc2)cc1,0.0
CCCCCCc1ccc(Oc2ccccc2NC(=O)c2ccno2)c(O)c1,0.0
CC(=O)NCCNc1nc(-c2ccccc2)nc2[nH]c(C)c(C)c12,0.0
O=C(Nc1ccccc1)N[C@H](CCC(=O)N1c2ccccc2C[C@H]1C(=O)[O-])C(=O)[O-],0.0
O=C(NCCNC(=O)c1ccc(Cl)s1)c1ccc(-n2ccccc2=O)cc1,0.0
O=C(CCC[N@H+]1CC[C@](O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,0.0
CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc3[nH+][nH]c(N)c3c2)c(Cl)c1,0.0
O=P([O-])([O-])C(F)(F)c1ccc(C[C@@](C/C=C/c2ccccc2)(c2ccccc2)n2nnc3ccccc32)cc1,0.0
Nc1nc2c(s1)C[C@@H]([N@@H+](CCC1CCCCC1)CC[C@H]1CC[C@H](NC(=O)c3ccc4ccccc4c3)CC1)CC2,0.0
Oc1ccc(-c2cc(-c3cccc(O)c3)cs2)cc1,0.0
CN1C(=O)CC[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1Cl,0.0
COc1cccc(CCN(Cc2ccccc2-c2ccc(CN3C[C@@H](C)[NH2+][C@@H](C)C3)cc2)C(=O)NC2CCCCC2)c1,0.0
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=c1c(NCc2cccnc2)nc2ccc(-c3ccc(F)cc3)nc2n1CC1CCCCC1,0.0
NC(=[NH2+])c1ccc2[nH]c(-c3cc(Cc4nnn[n-]4)cc(Br)c3O)c(Cc3ccccc3)c2c1,0.0
NC(=O)/C=C1\CCc2c(F)cc(F)cc21,0.0
O=C1C=C([O-])C(=O)C(CCc2cccc(CCc3ccccc3)c2)=C1O,0.0
N#C[C@@H]1CCCN1C(=O)/C(N)=C/C(=O)N1Cc2ccccc2C1,0.0
CCCc1nnc2c([O-])nc3cc(Cl)c(Cl)cc3n12,0.0
N#Cc1cc2[nH]c(=O)c([O-])nc2cc1[N+](=O)[O-],0.0
COc1ccc(-c2c(C)n[nH]c2-c2cc(Br)c(O)cc2O)cc1,0.0
O=C([O-])Cc1coc2cc(OCc3cccc(COc4ccc(C(F)(F)F)cc4)c3)ccc12,0.0
O=C(Nc1ccccc1Cc1ccccc1)c1cc2ccccc2oc1=O,0.0
NS(=O)(=O)c1ccc(N/N=C2\C(=O)Nc3cccc(CCc4ccc(O)cc4)c32)cc1,0.0
Nc1nc(N)c2c([nH+]1)CC[C@@H](CN1CCc3ccccc31)C2,0.0
O=C(N1Cc2cc(O)ccc2[C@H](c2ccc(O)cc2)C1)C(F)(F)F,0.0
Nc1nc(-c2cccs2)c2nnn(Cc3ccccc3F)c2n1,0.0
CCN(Cc1cc(C(F)(F)F)cc2[nH]c(=O)c(=O)[nH]c12)[C@@H](C)[P@@](=O)([O-])O,0.0
Cc1cccc2ccc(-c3sc(N)nc3-c3ccccn3)nc12,0.0
CCn1nnc(-c2ccc3c(=O)c4cc(O)ccc4oc3c2)n1,0.0
Cc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])cc1,0.0
CC1(C)CCC(C)(C)c2cc([C@@H]3CCCc4sc(/C=C/C(=O)[O-])cc43)ccc21,0.0
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
CC1=C(C(=O)[O-])[C@@H](c2ccc(OCCOc3ccc(C(=O)c4ccc(Cl)cc4)cc3)cc2)NC(=O)N1,0.0
Clc1cnc(Nc2ccc(CC[NH+]3CCCC3)cc2)nc1-c1ccc2cc[nH]c2c1,0.0
C[C@@H]1CNC(=O)c2[nH]c3ccc(C(=O)Nc4cccc(C#N)c4)cc3c21,0.0
CC[N@H+]1CC[C@H](c2nn(C)c3[nH]c(=O)c4ccccc4c32)CC1,0.0
Fc1ccc(-n2nc(C3OCCO3)c3c2[C@H](Cc2cccc4ccccc24)CCC3)cc1,0.0
Cc1cccc(Cl)c1NC(=O)c1ccc2nc(NC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)sc2c1,0.0
[NH3+][C@@H](Cn1c(=O)c(-c2ccc(COC(=O)C3CC3)cc2)cn(Cc2c(F)cccc2C(F)(F)F)c1=O)c1ccccc1,0.0
O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(N/C([O-])=N/S(=O)(=O)c2ccc(Cl)cc2)cc1)NO,0.0
O=C(Nc1cc(F)ccc1Oc1ccc(C(=O)[O-])c(C(=O)[O-])c1)c1cc([N+](=O)[O-])ccn1,0.0
CC(=O)N1CCC(n2cc(-c3cnc(N)c(-c4nc5ccccc5o4)c3)cn2)CC1,0.0
CCOc1c(Sc2ccc(/C=C/C(=O)N3CCN(C(C)=O)CC3)cc2Cl)cc(Cl)c2cccnc12,0.0
Cc1nc2ccc3ccc(CNc4ccc5c(c4)CN([C@@H](CCC(=O)[O-])C(=O)[O-])C5=O)cc3c2c(=O)[nH]1,0.0
CC[N@H+](Cc1ccccc1)Cc1ccc(-c2cc3cc(OCCNC(=O)CCc4ccc(F)c(F)c4)ccc3oc2=O)cc1,0.0
Cn1c2c(c3ccc(O)cc31)CCCc1ccccc1-2,0.0
C[C@@H](C1CCCCC1)N(C)C(=O)c1cc2ccccc2n1C,0.0
Cn1cc(-c2ccc3c(c2)Cc2c[nH]nc2-3)c(-c2ccncc2)n1,0.0
C[C@H](CCc1ccc(C(N)=O)cc1)[NH2+]CC(=O)c1ccc(F)c(F)c1,0.0
[NH3+][C@H](C(=O)N1CCSC1)[C@H]1CC[C@H](NC(=O)OCc2ccc3ccccc3c2)CC1,0.0
O=c1c(-c2cccc(Cl)c2)coc2cc(O)cc(O)c12,0.0
CCc1c(-c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1-c1cccc([C@@H](O)C(=O)[O-])c1,0.0
COC(=O)C1=CC(CO)=COc2oc3cccc(O)c3c(=O)c21,0.0
C[C@H]1C(=O)C(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1)Oc1ccccc1-3,0.0
O=c1ccn(-c2cc3c(=O)n([O-])c(=O)[nH]c3cc2Cl)cc1,0.0
C[C@@]1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc(S(=O)(=O)CCCO)n21,0.0
Oc1ccc([C@H]2Nc3ccccc3-c3ccnc4[nH]cc2c34)cc1F,0.0
CNc1ncc2cc(-c3cc(Nc4nc5cc(C(F)(F)F)ccc5[nH]4)ccc3C)ccc2n1,0.0
C[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl,0.0
N#Cc1ccc2[nH]c(-c3ccncc3)c(-c3cccc(Cl)c3)c2n1,0.0
Cc1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)cc1-c1ccc2c(C3CC[NH2+]CC3)noc2c1,0.0
CCCCCN1C(=O)CN(C)c2ncc(-c3ccc(F)c(F)c3)cc21,0.0
CC/C(=C\c1cc(O)cc(O)c1)c1ccc2ccccc2c1,0.0
Nc1nc2c(c(=O)[nH]1)N=C(Cc1ccccc1)C2,0.0
O=C1N=C([O-])/C(=C\c2ccc(OCCN3c4ccccc4Oc4ccccc43)cc2)C(=O)N1,0.0
CCC1(CC)C(=O)N(c2ccc(C#N)cc2)C(=O)c2ccccc21,0.0
[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(C)CNC(=O)c1cc(C(=O)NCc2ccccc2)nn1-c1ccc(Cl)cc1,0.0
NC(=[NH2+])c1cccc(CNc2ccc3ccn(-c4cccc(C(N)=[NH2+])c4)c3c2)c1,0.0
CCC[C@@]1(CCc2ccccc2)C=c2oc(=O)c([C@H](CC)c3ccccc3)c(O)c2=CC1,0.0
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
NC(=[NH2+])NCCC[C@H](NC(=O)c1ccc2ccccc2c1O)C(=O)N1CCC[C@@H]1C(N)=O,0.0
OCc1ccc(C#Cc2cncnc2Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)o1,0.0
O=C(Nc1cc(-c2cc3c(=O)[nH]cnc3[nH]2)ccn1)c1ccc(C2CCCC2)cc1,0.0
Cn1c(=O)c(Oc2ccc(F)cc2F)cc2cnc(NC(CCO)CCO)nc21,0.0
O=C(OCc1ccccc1)N1CCC(CNc2ccncn2)CC1,0.0
Cc1c(-c2ccccc2)[nH+]c(-c2cccc(/C=C/C(=O)NO)c2)n1CCN1CCOCC1,0.0
O=C1c2cccc3cccc(c23)C(=O)N1[C@H]1CC[N@H+](C[C@H](O)COc2cccc3[nH]c4ccccc4c23)CC1,0.0
CC(C)CS(=O)(=O)N1CC[C@H](N(Cc2ccccc2C(F)(F)F)c2ccc(C#N)c(Cl)c2)C1,0.0
O=C(NCc1ccc(S(=O)(=O)N2CCC(n3nnc4ccccc43)CC2)s1)c1ccc(Cl)cc1,0.0
O=C(Nc1ccc(-c2ccc3ccccc3c2)cc1)Nc1ccc2c(c1)NC(=O)/C2=C\c1ccc[nH]1,0.0
CCc1ccc2[nH]c3c(c2c1)CCN(C(=O)CC[NH3+])[C@@H]3c1cccc(O)c1,0.0
Cc1cncc2cccc(S(=O)(=O)CN3CCC[NH2+]C[C@H]3C)c12,0.0
O[C@H]1CC[C@H](n2cnc(-c3ccc(F)cc3)c2-c2ccnc(Oc3ccccc3)n2)CC1,0.0
Cc1cccc(-c2[nH]c(C(C)(C)C)nc2-c2ccc3c(c2)OCO3)n1,0.0
Nc1nc2ccc(Cl)cc2n2c(-c3ccccc3)nnc12,0.0
CCc1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1,0.0
NS(=O)(=O)c1cnc(Sc2ccccc2)c(C(=O)NCCc2ccccc2)c1,0.0
CC(C)(C)c1ccc([C@@H](O)CCC[N@H+]2CC[C@H](C(O)(c3ccccc3)c3ccccc3)CC2)cc1,0.0
O=C1c2c(c(O)c3ncccc3c2O)C(=O)N1Cc1ccc(F)cc1,0.0
C[NH+](C)C[C@H]1C[C@@H]2c3ccccc3Sc3ccc(F)cc3[C@H]2O1,0.0
COC(=O)CN1C(=O)c2c(C)nc3ccc(Br)cc3c2C1=O,0.0
c1ccc(NCc2ccc(CNc3cccc[nH+]3)cc2)nc1,0.0
O=C([O-])c1cccc(OCc2ccc(Cl)cc2Cl)c1OCc1ccc(Cl)cc1Cl,0.0
Cc1nc(C)c(-c2ccc3[nH]nc(N)c3c2)s1,0.0
C[n+]1c2c(c3n1C(=O)NCC3)c(=O)c1cc(Cl)ccc1n2[O-],0.0
Cc1ccc(Sc2cccc3[nH]c4nc(N)nc(N)c4c23)cc1,0.0
C[C@H](Nc1nccc(-n2cnc3cc(-c4ccnc(N)n4)ccc32)n1)[C@@H]1CN(C(=O)Nc2cccc3ccccc23)CCN1C,0.0
Nc1nc2c(C3=CCCCC3)c[nH]c2c(=O)[nH]1,0.0
Cc1ccc2c(c1)O[C@H](c1ccccc1)CC2=O,0.0
Cc1ccc(S(=O)(=O)N2CC=C(c3ccccc3)CCC2)cc1,0.0
c1ccc2c3c([nH]c2c1)C1=[NH+]CCN1CC3,0.0
Nc1ccccc1NC(=O)c1ccc(CNc2nccc(-c3ccn[nH]3)n2)cc1,0.0
C[C@@H](Nc1cc2c(-c3cc(Cl)cc(CCC(N)=O)c3)noc2cn1)c1ccccc1,0.0
Cc1cnc(Nc2cc(N3CC[NH+](C)CC3)[nH+]c(N[C@@H](C)c3ccc(F)cn3)n2)s1,0.0
Cc1ccc(-c2cccc(C(=O)N3CCCC(C)(C)C3)n2)cc1F,0.0
O=P([O-])([O-])[C@H](Cn1cnc2cncnc21)[P@@](=O)([O-])O,0.0
CC(=O)N(C)c1cccc2c1nc(-c1c(F)cccc1F)n2Cc1c(F)cccc1F,0.0
c1ccc2c(c1)CC[C@@H]2Nc1nc(Nc2ccncc2)nc(N2CC[NH2+]CC2)n1,0.0
C[N@H+]1CC[C@H](CC/C=C2\Cc3ccccc3C2=O)CC1,0.0
CCC(=O)N(CCCCCCCCCCCC[NH+]=C(N)N)[C@H]1CC[N@H+](CCc2ccccc2)CC1,0.0
O=C(c1ccccc1)c1cnc2n[nH]cc2c1OCc1ccccc1,0.0
CC(C)CC(=O)c1c(O)c(CC(=O)C(C)C)c2oc(=O)cc(-c3ccccc3)c2c1O,0.0
O=C(NO)c1ccc(-c2ccn(CC[NH2+]Cc3ccc4c(c3)OCO4)n2)s1,0.0
O=C(C[C@H]1Sc2ccccc2N(CC(=O)Nc2cc(F)ccc2F)C1=O)NO,0.0
CCOC(=O)C1=C(c2ccc3c(c2)OCO3)c2ccc(OCCCc3ccccc3)cc2/C1=[N+](/C)[O-],0.0
C[NH+]1CCN(C2=Cc3ccccc3Oc3ccc(Cl)cc32)CC1,0.0
CC(C)Oc1cc(OCCc2ccsc2)cc(C(=O)Nc2ccc(C(=O)[O-])cn2)c1,0.0
C[NH+](C)[C@H]1CCCN(c2ccc(C(F)(F)F)cc2NC(=O)c2cc(C#Cc3cnc(N)nc3)ccc2F)C1,0.0
O=C(Oc1ccccc1)c1cc(NCc2cc(O)ccc2O)ccc1O,0.0
CCc1c(C)nn(-c2ccccc2)c1-c1ccccc1,0.0
C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC21O[C@H](c2ccccc2)[C@@H](c2ccccc2)O1,0.0
O=C(Nc1ccc(S(=O)(=O)N[C@H](CC#Cc2ccccc2)C(=O)[O-])cc1)c1ccc(Cl)cc1,0.0
c1cc(C[N@@H+]2CCC[C@@H](Nc3ccc4[nH]ncc4c3)C2)ccn1,0.0
CCCN1C=C(c2ccc(Nc3nc(Nc4ccccc4C(N)=O)c4cc[nH]c4n3)c(F)c2)CCC1,0.0
Cn1cc(N(Cc2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1C(=O)[O-],0.0
O=C(NO)[C@H](NCc1cccc(C(F)(F)F)c1)c1ccc(F)c(F)c1,0.0
Nc1cccc(-c2csc(NC(=O)CCCCc3cc(C(=O)NO)no3)n2)c1,0.0
COc1cc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc(OC)c(OC)c2)ccc1O,0.0
O=C(CCCCC(=O)OCc1ccccc1)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,0.0
NC(=O)[C@@H]1C[C@]2(NC(=O)NC2=O)c2cc(F)ccc2O1,0.0
NC(=O)c1c[nH+]c2cc(-c3ccncc3)ccc2c1Nc1n[nH]c2ccccc12,0.0
CCN1c2ccc(C)c(C)c2N(C)C(=O)c2cccnc21,0.0
c1ccc(-c2n[nH]c3c2oc2ccccc23)cc1,0.0
c1csc(CNc2ncnc3ccc(-c4ccc5c(c4)OCO5)cc23)c1,0.0
O=c1[nH]c(Oc2ccccc2)nc2c1ncn2CCCCO,0.0
CSc1sc(C(N)=[NH2+])cc1-c1csc(-c2ccccc2)n1,0.0
N#Cc1ccc(Cn2ccnc2)cc1Oc1cccc2ccccc12,0.0
CSc1ccc(Nc2nc3cc(C(N)=O)ccc3n2Cc2ccccc2C(F)(F)F)cc1,0.0
Cc1ccc(NC(=O)c2cc(C3CC3)n[nH]2)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1,0.0
O=C(CCc1noc2c1ccc1cc(O)ccc12)Nc1ccccc1C(=O)[O-],0.0
Nc1ccc(C2=C(c3ccc(O)cc3)Cc3cc(O)ccc32)cc1,0.0
O=C1NC(=O)c2c1c1c3ccccc3n3c1c1c2c2ccccc2n1CS(=O)(=O)C3,0.0
O=C1NC(=O)[C@@H](c2cc(Cl)ccc2S(=O)(=O)NCc2ccccc2)N1,0.0
C[C@@H](C(=O)[O-])c1cc(O)c2c(c1)CCc1ccccc1C2=O,0.0
CCCCCCCCCCCCCCCC(=O)c1c(O)oc(CO)c1[O-],0.0
O=C(CN1c2ccccc2Sc2ccc(C(F)(F)F)cc21)c1cccc2ccccc12,0.0
Cc1ccc(F)c(NC(=O)Nc2ccc(-c3ccc(CN4CCOCC4)c4onc(N)c34)cc2)c1,0.0
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
Cc1cc(Nc2cc[nH+]c(Nc3cccc(-c4nc5ccccc5s4)c3)n2)n[nH]1,0.0
C(=C/c1ccc(Cc2ccccc2)cc1)\C[NH+]1CCCC1,0.0
CCOc1ccccc1-c1nc([O-])n2c(C)nc(C3CCCC3)c2n1,0.0
O=C(N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC(O)CC1)c1cc2cc(Cl)ccc2[nH]1,0.0
CCCCNC(=O)N1Cc2n[nH]c(NC(=O)Cc3ccc(N4CCCC4)cc3)c2C1,0.0
CCCc1cc(C(=O)c2ccc(F)cc2)ccc1OCCCOc1ccc2c(ccn2CC(=O)[O-])c1,0.0
CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)C(F)(F)C(=O)NCc1ccccc1,0.0
O=C1NC[C@H]2c3c(cccc31)CCN2C(=O)Cc1ccccn1,0.0
O=S(=O)([O-])c1cccc2cccc(Nc3ccccc3)c12,0.0
COC(=O)COc1cc2c(c3c1c(C(=O)C(N)=O)c(C)n3Cc1ccc(F)cc1)CCC2,0.0
CSc1ncc2cc(-c3ccccc3)c(-c3ccc(CNCCc4n[nH]c(-c5ccccc5)n4)cc3)nc2n1,0.0
Cc1cnc(CNc2cc(-c3ccccc3)nc(-c3ccncc3)n2)nc1,0.0
O=C(NC(=S)Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1ccc([N+](=O)[O-])cc1,0.0
Cn1cc(C(=O)NOCC2CC2)c(Nc2ccc(Br)cc2F)c(F)c1=O,0.0
Cc1c(Nc2c(C#N)cncc2/C=C/c2cccc(OCCN3CC[NH+](C)CC3)c2)ccc2[nH]ccc12,0.0
O=C(NC[C@H]1CC[C@H](C(=O)NO)CC1)c1ccc(-c2ccccc2)cc1,0.0
COc1ccc(-n2c(-c3ccc(S(N)(=O)=O)cc3)coc2=O)cc1,0.0
COC(=O)[C@H](Cc1cccc(C(N)=[NH2+])c1)[C@@H](C)NC(=O)c1ccc(-c2cc[n+]([O-])cc2)cc1,0.0
O=C(/C=C/c1ccc(C[N@@H+](CCOC(=O)NCc2ccoc2)CCc2c[nH]c3ccccc23)cc1)NO,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
O=c1c(Cc2c(O)oc3ccccc3c2=O)c([O-])oc2ccccc12,0.0
Clc1ccc(Cn2cc(-c3ccncc3)cn2)c(Cl)c1,0.0
O=P([O-])([O-])[C@](O)([C@H]1CCc2ccncc21)[P@@](=O)([O-])O,0.0
O=C([O-])C(=O)CC(=O)c1cn(Cc2ccccc2)c(=O)[nH]c1=O,0.0
NC(=O)c1cccc(Nc2nccc(Nc3cccc4n[nH]nc34)n2)c1,0.0
CNC(=O)C[N@H+]1CC[C@H](Nc2nccc(-c3cnc4ccccn34)n2)CC1,0.0
N#Cc1cc(-c2ccnc(Nc3ccc(-n4cnc(-c5ccccn5)n4)cc3)n2)cc(N2CCOCC2)c1,0.0
CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)nc(OC[C@H]([NH3+])Cc3ccccc3)cc21,0.0
CCC(CC)OC(=O)CCC(=O)Oc1ccc2c(c1)c(CC(=O)[O-])c(C)n2C(=O)c1ccc(Cl)cc1,0.0
[NH3+]Cc1ccc(-c2cnc3[nH]cc(-c4cccc(NC(=O)Nc5cccc(Cl)c5)c4)c3c2)cc1,0.0
O=C1c2ccccc2-c2n[nH]c3cccc1c23,0.0
CCCn1ccc(=O)c2c(N)nc(-c3ccccc3)cc21,0.0
CN1CC[NH+]=C1c1cccc(Oc2nc(Oc3cc(C(N)=[NH2+])ccc3O)c(F)c(O[C@H]3C[NH2+][C@H](C(=O)[O-])C3)c2F)c1,0.0
O=C(Cc1cccc2ccccc12)N1CCC(C[NH2+]CCCC[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)CC1,0.0
COc1cccc(Cn2nnc(-c3cccc(C(=O)NCc4ccc(C(=O)[O-])cc4)c3)n2)c1,0.0
O=C(NCCCN1CCOCC1)c1cccc(-c2[nH]nc3cc(Nc4ccccc4Cl)ccc23)c1,0.0
C[N@@H+]1CCC[C@@H]1COc1cc(Nc2nc3ccc(Oc4cc[nH+]c5ccccc45)cc3[nH]2)ccc1C(F)(F)F,0.0
c1ccc(CNc2ncnc3c2sc2ccccc23)cc1,0.0
O=C1Cc2c([nH]c3ccc(Br)cc23)-c2ccccc2N1,0.0
[H]/N=C(\C)c1cccc(C[NH2+]Cc2ccc(NC(C)=[NH2+])cc2)c1,0.0
O=C(CNCc1ccccc1)Nc1cc2cc[nH]c(=O)c2cc1Cl,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
Cc1ccc(C(=O)Nc2ccc(CN3CC[NH+](C)CC3)c(C(F)(F)F)c2)cc1CCc1cnc2cccnn12,0.0
O=P([O-])([O-])[C@H](Nc1ccc(Cl)cn1)[P@@](=O)([O-])O,0.0
O=C(c1cc2cc(O)ccc2[nH]1)c1cc2cc(O)ccc2[nH]1,0.0
Cc1ccc2c(OCC[N@H+]3CC[C@H](Cc4cccc([N-]S(C)(=O)=O)c4)CC3)cccc2n1,0.0
O=c1c(CO)coc2cc(OCCC[N@H+]3CC[C@H](c4noc5cc(F)ccc54)CC3)ccc12,0.0
Fc1ccc(-c2[nH]c(-c3ccccc3)cc2-c2ccncc2)cc1F,0.0
CNC(=O)c1ccc(C)c(Nc2nc(N3CCC[N@@H+](C)CC3)nc3c2cnn3-c2ccccc2)c1,0.0
O=S(=O)([O-])CCCSc1nc2ccccc2s1,0.0
Fc1ccc(-c2[nH]c(-c3ccc(F)cc3)c3c2[C@@H]2C=C[C@H]3C2)cc1,0.0
Nc1ncnc2c1ncn2Cc1cc(OCC2CCCCC2)cc(O)c1O,0.0
CC1=[NH+]C[C@@H](O)c2ncn([C@H]3C[C@@H](O)[C@@H](CO)O3)c2N1,0.0
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
C[N@H+](CCOCCNC(=S)NC(=O)c1ccc2c(c1)-c1ccccc1C2=O)Cc1ccccc1,0.0
O=C([O-])CC1c2cc(F)ccc2-c2ccc(F)cc21,0.0
O=C([O-])C[C@@H](NC(=O)[C@H]1CCCC[C@H]1NC(=O)OCc1ccccc1)C(=O)CF,0.0
Nc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1,0.0
COc1ccncc1C1=C(c2ccc(S(C)(=O)=O)cc2)CCC1=O,0.0
O=C(NCCc1cccs1)NCc1cccc(-c2cccc(-c3cc4c[nH+]ccc4[nH]3)c2O)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
COc1c(O)c(Cc2ccccc2)c2oc(-c3ccc(O)c(O)c3)cc(=O)c2c1O,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
COc1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)cc(OC)c1OC,0.0
O=P([O-])([O-])[C@](O)(C[C@H]1CCCC[NH2+]1)[P@@](=O)([O-])O,0.0
CS(=O)(=O)c1ccc(CN2CCN(c3c[nH]nc3-c3cc(Cl)c(O)cc3O)CC2)cc1,0.0
COc1cnc2c(NCc3nnc4ccc(-c5cc(F)cc(F)c5)nn34)ccnc2c1,0.0
O=c1[nH]c2c(c3ccccc13)Cc1cc(S(=O)(=O)NCCCn3ccnc3)ccc1-2,0.0
COc1ccc(-c2nc3c(C(N)=O)cccc3n2C(=O)OCc2ccccc2)cc1,0.0
COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(C4CCCCC4)C(=O)N23)cc1,0.0
O=C1CCC(c2ccccc2)=NN1Cc1ccc(Cl)c(Cl)c1,0.0
C=CC[C@H](NC(=O)CNS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C,0.0
Cc1c(Cl)nc(NC[C@@H]2CCC[NH2+]C2)c(=O)n1CC(=O)Nc1cccc(C[NH3+])c1,0.0
COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@@H](C)c2ccccc2)c2cccc(OCC(=O)[O-])c2)cc1OC,0.0
O=C([O-])COc1cccc(-c2ccccc2-c2cc(-c3ccccc3)c(-c3ccccc3)o2)c1,0.0
CS(=O)(=O)[N-]c1ccc2c(c1)N(Cc1ccccc1)Cc1ccccc1-2,0.0
Nc1[nH]c([O-])c(C2=C3C(=Nc4ccccc43)C(=O)NCC2)[nH+]1,0.0
COc1ccc(Cc2cc3cc(OC)ccc3cc2-c2cccnc2)cc1,0.0
O=C(CCc1cnnn1C1CCCC1)c1ccccc1,0.0
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
N#Cc1c(N)nc(-c2ccccc2)nc1-c1ccccc1,0.0
Cc1cc(C)[n+](-c2ccc(S(N)(=O)=O)cc2)c(C)c1C,0.0
O=C(Cc1ccc(O)c(O)c1)O[C@@H](C(=O)[O-])[C@@H](OC(=O)Cc1ccc(O)c(O)c1)C(=O)[O-],0.0
Cc1ccc(-c2nc(CCOc3ccc(C[C@H]4CO[C@@](C)(C(=O)[O-])OC4)cc3)c(C)o2)s1,0.0
Cn1c(CNc2ccc(C(N)=[NH2+])cc2)nc2cc(N(CC(=O)[O-])S(=O)(=O)c3cccc4cccnc34)ccc21,0.0
O=[N+]([O-])c1cc(O)c([O-])c([N+](=O)[O-])c1,0.0
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COC(=O)N2CCN(CC(=O)Nc3cccc4c3CNC4=O)CC2)[C@@H](O)[C@H]1O,0.0
c1cc(CCCOc2ccc(-n3ccnc3)cc2)ccn1,0.0
O=C([O-])C1CCN(Cc2cc3[nH]c(=O)c(=O)[nH]c3cc2[N+](=O)[O-])CC1,0.0
C[C@H](O)[C@@H](CCc1cccc2oc(-c3ccc(Cl)cc3)nc12)n1cnc(C(N)=O)c1,0.0
[NH3+]Cc1ccc(CNC(=O)CCC(=O)NCc2ccc(CNC(=O)CCC(=O)NCc3ccc(C[NH3+])cc3)cc2)cc1,0.0
Cc1ccsc1C(=O)n1nc(Nc2ccc(S(N)(=O)=O)cc2)nc1N,0.0
O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCC(=O)[C@@H]1Sc1ccccc1)c1cccnc1,0.0
O=C([O-])C(=O)/C=C(\O)c1ccc2ncc(C(=O)CC(=O)C(=O)[O-])c([O-])c2c1,0.0
Cc1cn([C@@H]2C=C[C@@H](COP(=O)([O-])OC[C@@H]3C=C[C@@H](n4cc(C)c(=O)[nH]c4=O)O3)O2)c(=O)[nH]c1=O,0.0
COCCC(=O)Nc1cc(-c2ccnc(Nc3ccccc3)c2)ccn1,0.0
O=C([O-])c1c([O-])c(-c2ccc(Oc3ccccc3)cc2)[nH+]c2ccccc12,0.0
CCNc1cccc(COc2c(Br)cc(CCC(=O)[O-])cc2Br)c1,0.0
CC(=O)Nc1oc(-c2cc3ccccc3cc2O)nc1-c1ccccc1,0.0
Cc1csc(NC(=O)c2cc(Oc3ccccc3)cc(Oc3cccc(S(C)(=O)=O)c3)c2)n1,0.0
O=C(COc1ccc(SCCCCc2ccccc2)cc1)COc1ccc(C(=O)[O-])cc1,0.0
[H]/[O+]=C(C)\N=c1/[nH]c(-c2ccc3nccnc3c2)c(-c2ccc(F)c(C)n2)[nH]1,0.0
CCCCOc1ccc(-c2cccc(C(=O)[O-])c2C)cc1CNC(=O)c1ccc(C(F)(F)F)cc1F,0.0
CCCc1nc(-c2cccnc2)cn2c(CC(=O)N[C@@H](CC3CCCCC3)[C@@H](O)C3CCCCC3)nnc12,0.0
C[NH+](C)CC(=O)NCc1c(C[N@H+](C)[C@H]2CCCc3cccnc32)ncc2ccccc12,0.0
CC1CCN(C(=O)c2cccc(Oc3ccccc3Cl)n2)CC1,0.0
Cc1cc(-c2cccc3cc[nH]c23)c(Cl)c2c1NC(C)(C)C[C@@H]2C,0.0
O=C1NCCc2[nH]c(-c3ccnc(-c4cnc5ccccc5c4)c3)cc21,0.0
CC(C)C[C@@H](C(=O)N1CCOCC1)[C@H](CN1C(=O)c2ccccc2C1=O)C(=O)NO,0.0
O=C([O-])Cc1ccc(-c2noc(-c3ccccc3)c2C(=O)CCCOc2ccc(Cl)cc2Cl)c(Cl)c1,0.0
CS(=O)(=O)/N=C(\[O-])c1ccc(-c2ccc(CC[NH2+]C[C@H](O)c3c[nH+]ccc3N)cc2)cc1OC1CCCCC1,0.0
CCCc1cc(-c2noc3ccccc23)ccc1OCCCOc1cccc([C@H]2SC(=O)NC2=O)c1,0.0
C[C@H](C(N)=O)[N@@H+]1CCc2cc(OCc3cccc(F)c3)ccc2C1,0.0
CCCCn1c2ccccc2c2ccc3c(c21)C(C)=CC(C)(C)N3,0.0
C=CCNC(=O)CCC(=O)Nc1ccc2c(c1)C(=O)C(=O)NC2=O,0.0
O=C(C[C@H](c1ccco1)S(=O)(=O)c1ccccc1)NO,0.0
CC(C)[C@]1(C)OC(N[C@@H](C)c2ccccc2C(F)(F)F)=NC1=O,0.0
Nc1nc2c(cnn2CC[N@@H+]2CCc3ncc(-c4ccccc4)cc3C2)c2nc(-c3ccco3)nn12,0.0
O=C1C(Cl)=C(N2C(=O)CCC2=O)C(=O)c2ccccc21,0.0
Cc1n[nH]c2ccc(-c3cc(OC[C@@H]([NH3+])Cc4ccccc4)cnc3-c3cc(Cl)ccc3O)cc12,0.0
O=C1c2ccccc2-c2ccc(CN(C[C@H](O)C(=O)[O-])C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(=O)[O-])cc21,0.0
c1ccc(C2(c3ccc(-c4cn[nH]c4)cc3)CC[NH2+]CC2)cc1,0.0
O=S(=O)(NCC[NH2+]CCOCc1ccc(Cl)cc1)c1cccc2cnccc12,0.0
O=C1CN(Cc2ccc(-c3cccc(N4CCc5ccc(F)cc54)c3)cc2)S(=O)(=O)N1,0.0
COc1cc(OC)cc(-c2cc(NC(C)=O)nc(-n3nc(C)cc3C)n2)c1,0.0
O=C(N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)c1ccc(O)cc1Cl)OCc1ccccc1,0.0
O=C1CC(c2ccccc2)(c2ccccc2)OC(=O)[C@@H]1SCCc1ccccc1,0.0
CC(C)(C)c1ccc(-n2c(C(=O)[O-])c(Oc3cccc(C(F)(F)F)c3)c3ccccc32)cc1,0.0
FC(F)(F)c1ccccc1-c1cccc(-c2c[nH]cn2)c1,0.0
Nc1ncnc2c1N=C(c1ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc1)CCN2,0.0
COc1cc2c(Nc3ccc(F)c(Cl)c3)c(C(N)=O)cnc2cc1OCC[N@H+]1CC[C@H](O)CC1,0.0
COc1ccccc1N1CC[NH+](CCCCNC(=O)/C=C/c2ccc3ccccc3c2)CC1,0.0
Brc1cccc(Nc2ncnc3ccc(N/N=[NH+]\Cc4ccccc4)cc23)c1,0.0
CC(C)Nc1ccc(-c2cccc(N)c2)c(CC(=O)NCc2ccc(C(N)=[NH2+])cc2)c1F,0.0
O=C1CCc2cc(-c3ccc(C(F)(F)F)cc3)ccc2N1,0.0
Cc1noc(=O)c2ccc(NC(=O)[C@](O)(CC3CCCCC3)CC(C)(C)c3cc(F)ccc3O)cc12,0.0
CCn1ncc2c(N[C@@H](C)C3CCCCC3)c3cc(C#N)ccc3nc21,0.0
CCNC(=O)N1N=C(c2cc(F)ccc2F)C[C@@]1(CCCCNC(=O)c1ccccn1)c1ccccc1,0.0
O=c1[nH]c(N2CC[C@@H](c3ccccc3)C2)c(Cc2ccccc2)c(=O)[nH]1,0.0
[NH3+]C[C@H]1CC[C@H](CNc2nc(NCc3ccccc3Cl)ncc2[N+](=O)[O-])CC1,0.0
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
CS(=O)(=O)c1ccc(/C(=C\c2cccs2)C(=O)Nc2nccs2)cc1,0.0
O=C(Nc1ccc(Cl)cc1)c1cccnc1SCc1ccncc1,0.0
N#Cc1ccc(Cn2cncc2CN2CCN(C(=O)N[C@]34C[C@H]5C[C@H](C[C@H](C5)C3)C4)CC2)cc1,0.0
N#C/C(=C\c1ccc(O)c(O)c1)C(=O)c1ccc(O)c(O)c1,0.0
O=C(NCCCC[NH+]1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1)c1cc2ccccc2s1,0.0
Nc1cc(N)c2nc(CCc3ccc(C(=O)N[C@H](CCCNC(=O)c4ccccc4C(=O)[O-])C(=O)[O-])cc3)cnc2c1,0.0
CS(=O)(=O)c1ccc(-c2cc(Br)sc2-c2ccc(F)cc2)cc1,0.0
O=C1CN(Cc2ccc(C(=O)NO)cc2)c2ccccc2N1,0.0
CCc1cc(NCc2ccc3ccccc3c2)c(S)nc1C,0.0
O=C(Nc1ccccc1N1C=CC=CC=C1)c1ccc([N+](=O)[O-])o1,0.0
O=C([O-])c1nc2c(=O)[nH]c3cc([N+](=O)[O-])ccc3n2n1,0.0
CC(=O)CSc1nc([O-])c(C(C)C)c(Cc2cccc3ccccc23)n1,0.0
O=C1Nc2c(COCCc3ccccc3)ccnc2N(C2CC2)c2ncccc21,0.0
O=C1NC(=O)c2c1ccc1c2c2cc(O)ccc2n1CCCC(=O)N1CCOCC1,0.0
Cc1cccc(C)c1CNc1cc(-c2ccccn2)cn2c(C)c(C)[nH+]c12,0.0
NC(=[NH2+])c1cccc(-c2cccc([C@H](CCCNc3cc[nH+]cc3)C(=O)[O-])c2)c1,0.0
[NH3+][C@@H](CCC(=O)Nc1ccc(OC[C@H](O)c2ccccc2)cc1)C(=O)[O-],0.0
O=c1[nH]c(CCC[N@@H+]2CCC3=C(CCc4ccccc43)C2)nc2ccccc12,0.0
COc1ccc2ccc(C(N)=[NH2+])cc2c1-c1cnn(S(C)(=O)=O)c1,0.0
[NH3+][C@@H](CS)CNc1cccc(Oc2cccc(C(=O)[O-])c2)c1,0.0
[NH3+][C@H]1CC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)C[C@@H](c2cccnc2)c2ccc3c(c2)OCO3)CC1,0.0
C[NH+]1CCN(CCCNc2ncc3cc(-c4c(Cl)cccc4Cl)c([N-]S(=O)(=O)c4ccccc4)nc3n2)CC1,0.0
c1ccc2c(NCCCCCCCNc3c4ccccc4nc4[n+]3CCCCC4)[n+]3c(nc2c1)CCCCC3,0.0
O=C(NO)[C@H]1C[C@@]12C[C@@H](c1ccc(OCc3cc(-c4cccnc4)nc4ccccc34)cc1)NC2=O,0.0
O=S(=O)(c1ccc([O-])nn1)c1cccc2ccccc12,0.0
NS(=O)(=O)c1ccc(CCN2C(=O)c3cccnc3C2=O)cc1,0.0
NS(=O)(=O)c1nnc(NCc2cc(=O)oc3cc(Cl)ccc23)s1,0.0
CN(C)C(=O)[C@@H]([C@H]1CC[C@H](c2ccc(F)cc2)CC1)[C@H](N)C(=O)N1CCC(F)(F)C1,0.0
Nc1nc(N)c2c(COc3ccccc3F)cccc2[nH+]1,0.0
Oc1ccc(-c2[nH]c(C(F)(F)F)nc2-c2ccccc2)cc1,0.0
COC(=O)CNC(=O)CCc1cccc(-n2ccc3cnc(Nc4cc(OC)c(OC)c(OC)c4)nc32)c1,0.0
O=C(OCCCc1ccccc1)[C@@H]1[C@@H]2CC[C@@H](C2)N1S(=O)(=O)c1ccccc1,0.0
NC(=O)c1[nH]c2ccc(Cl)cc2c1[S@@](=O)c1ccccc1,0.0
CCCNc1nccc(-c2c(-c3ccc(F)cc3)[nH+]c3n2[C@H](CO)CC3)n1,0.0
C[C@H](Nc1nccc(-c2c(-c3cccc(C(F)(F)F)c3)nc(C3CC[NH2+]CC3)n2C)n1)c1ccccc1,0.0
Cc1cc(N)[nH+]c(CCNC(=O)c2ccc(C#N)cc2)c1,0.0
N/C(=N\c1cccc(C[NH3+])c1)c1ccccn1,0.0
CN(Cc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CC[N@H+](C)CC1,0.0
O=C([O-])Cc1ccc(CNc2cccc(-c3c(Cc4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)cc1,0.0
O=c1oc2c(O)c(O)cc3c(=O)oc4c(O)c(O)cc1c4c23,0.0
CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1,0.0
O=c1[nH]c2ccccc2cc1-c1cc2ccccc2[nH]1,0.0
[NH3+][C@H](COc1cncc(-c2ccc3cnccc3c2)c1)c1ccccc1,0.0
O=C([O-])Cn1nc2c(c(Cc3nc4cc(C(F)(F)F)ccc4s3)c1=O)CCc1ccccc1-2,0.0
N#Cc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)N[C@H]2[C@@H]3C[C@H]4C[C@@H](C3)C[C@@H]2C4)cc1,0.0
Nc1nc2c(ncn2[C@H]2C=C[C@H](OC[P@@](=O)([O-])O[P@@](=O)([O-])OP(=O)([O-])[O-])C2)c(=O)[nH]1,0.0
Nc1[nH][nH+]c2cccc(-c3ccc(NC(=O)NC4CCCC4)cc3)c12,0.0
CCNC(=O)N1CC[C@@H](Nc2ncc(Cl)c(-c3c[nH]c4ccccc34)n2)C1,0.0
Nc1nonc1-c1nc2ccccc2n1-c1ccccc1,0.0
NC(=[NH2+])c1ccc2cc([C@H]3C[C@H]3c3ccccc3)cc(Nc3ncccn3)c2c1,0.0
[NH3+]C1(Cc2ccc(Cl)cc2)CCN(c2ccnc3n[nH]cc23)CC1,0.0
O=C1C=C(C(F)(F)F)[C@H]2C=C/C(=N\C3CCCCC3)C[C@H]2N1,0.0
O=C(Nc1cc(Br)ccc1N1CCN(CCO)CC1)c1cccc2ccccc12,0.0
C[C@@]1(Cc2ccccc2)OC(=S)Nc2ccc(-c3cccc(Cl)c3)cc21,0.0
NS(=O)(=O)c1ccc(C(=O)NCc2cccc3ccccc23)cc1,0.0
CCc1c(Sc2cccc3ccccc23)[nH]c2[nH+]c(N)nc(N)c12,0.0
Fc1ccc(-c2ccc3c(c2)CC=C3c2ccncc2)cc1,0.0
O=c1[nH]c2cc(S(=O)(=O)[O-])ccc2c2ccc(F)cc12,0.0
O=C(c1ccc2c(c1)[nH]c(=O)c1cccn12)N1CCCC1,0.0
O=C1c2ccccc2-c2nc(-c3cccc([N+](=O)[O-])c3)nnc21,0.0
COc1cccc(-c2cc3cc(C)ccc3oc2=O)c1,0.0
O=C(NCC[NH2+]C[C@H](O)COc1cccc2ccccc12)c1ccc(-n2ccnc2)cc1,0.0
C[C@@H](Nc1ncnc2[nH]c(-c3ccccc3)cc12)c1ccccc1,0.0
CC(C)(Oc1ccc(CCN(C(=O)Nc2ccc(F)cc2F)C2CCCCCC2)cc1)C(=O)[O-],0.0
COC(=O)CCc1ccc2c(c1)C(c1ccccc1)=CC(=O)C2=O,0.0
COc1cccc(CCNC(=O)c2cc3cc(C[C@@H](C)[NH2+]C[C@H](O)c4ccc(O)c(CO)c4)ccc3[nH]2)c1,0.0
O=C(NCc1ccc(Cc2ccccc2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1,0.0
C[NH+](C)CCCn1nc(C2=C(c3cn(-c4cnc5ccccc5c4)c4ccccc34)C(=O)NC2=O)c2ccccc21,0.0
COc1ccc(-c2nc(COc3ccc(OCC(=O)[O-])c(C)c3)sc2-c2cnc3ccccc3c2)cc1,0.0
CCCCCCCCCCCCCCn1cc(C[NH2+][C@@H]2[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]2O)nn1,0.0
Nc1[nH+]cccc1NCc1cc(-c2ccc3cc[nH]c3c2)ccc1OCc1ccccc1,0.0
Cc1cncc(C(=O)Nc2cccc([C@H](C)Nc3cncc(Br)c3)c2)c1,0.0
NS(=O)(=O)c1ccccc1C(=O)[O-],0.0
O=C(/C=C/c1ccc(C(=O)N/N=C/c2ccc(O)c(O)c2O)cc1)NO,0.0
Cc1cc(N)[nH+]c(C[C@@H]2C[NH2+]C[C@@H]2OCc2ccc(-c3ccc(F)c(C)c3)cc2)c1,0.0
CCCCNc1nc(-c2ccc(S(N)(=O)=O)cc2)cc(C(F)(F)F)n1,0.0
CCCC[C@H](O[P@](=O)([O-])CCCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCSc1ccccn1,0.0
Cc1cc2nc(Nc3ccc(S(=O)(=O)NCC[NH+]4CCCC4)cc3)nnc2cc1N,0.0
Clc1cccc(Cc2nc3c(NCC[C@@H]4CCCC[NH2+]4)nccc3o2)c1,0.0
Cc1cc2c3c(c1)c(C1=C(c4cnc5ccccn45)C(=O)NC1=O)cn3CCN(C(=O)N1CCCCC1)C2,0.0
CCOc1cccc2c(-c3ccncc3)c(-c3ccc(F)cc3)nn12,0.0
NC(N)=NC(=O)Cn1c(-c2ccccc2)ccc1-c1ccc(NC(=O)c2cccc(Br)c2)cc1,0.0
C[C@H](CCc1ccc(O)cc1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)[O-])c(O)c1,0.0
Cc1n[nH]c(-c2ccccc2Nc2ncnc3[nH]ccc23)n1,0.0
Nc1nc2[nH]c(-c3cccnc3)nc2c(=O)[nH]1,0.0
CN1C(=[NH2+])N[C@@](c2cccc(NC(=O)c3ccc4c(c3)OCO4)c2)(C2CCCCC2)C1=O,0.0
Cc1c(Sc2ccccc2)n(C/C=C/c2cccnc2)c(=O)[nH]c1=O,0.0
Oc1ccc2c(ccc3c4ccccc4ccc23)c1O,0.0
Oc1ccc2c(c1)CCN(c1ccccc1)[C@H]2CC1CCCCC1,0.0
N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)C(=O)OCc1ccccc1,0.0
NC1=NC(=O)[C@@H]2N=C[C@H](Cc3ccccc3)[C@H]2N1,0.0
Cc1cc(OCC[C@@H](C)Oc2ccc(C(F)(F)F)cc2Oc2ccccc2)ccc1CCC(=O)[O-],0.0
C[C@H]([NH2+][C@@H](CCc1ccccc1)C(=O)[O-])C(=O)N1C(=O)N(C)C[C@H]1C(=O)[O-],0.0
COc1ccc(-c2[nH]nc3c2C(=O)c2c(NC(=O)NNC(=O)c4ccc5ccccc5c4)cccc2-3)cc1,0.0
O=C(Nc1ccc2[nH]nc(-c3cc4ccccc4s3)c2c1)[C@@H]1CCOC1,0.0
Nc1cccc(-c2ccc(CC[NH+]3CCN(C(=O)Cc4ccccc4)CC3)cc2)[nH+]1,0.0
NS(=O)(=O)c1cccc(Nc2nc(N3CC[NH2+]CC3)nc3[nH]cnc23)c1,0.0
Nc1[nH]c2cc3c(cc2[nH+]1)[C@H](Sc1ccc(S(=O)(=O)c2ccccc2)cc1)CCC3,0.0
CC[C@@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CC(=O)[C@H](C)[NH3+])C(C)C)C(=O)[O-],0.0
Nc1nc(N/N=C/[C@H]2CC=CCC2)nc2c1ncn2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O,0.0
CC[C@@](C)(Cc1ccc(OCCCOc2ccc3c(c2)OC(C)(C)C=C3c2cccc(C(F)(F)F)c2)cc1)C(=O)[O-],0.0
Nc1nc(-c2ccco2)c2ncn(Cc3ccc4ccccc4c3)c2n1,0.0
O=C1NCCc2c(-c3ccc4[nH]ccc4c3)[nH]c3cccc1c23,0.0
CC(=O)S[C@H](CC(=O)N1CCC[C@@H]1C(=O)[O-])C(=O)c1cccc(C(F)(F)F)c1,0.0
Cc1c(/C=N/O)c2ccccc2n1-c1ccc(O)c(F)c1,0.0
NC(=[NH2+])c1ccc(O)c(/C=C/CNC(=O)c2ccc(-c3ccnc(C(N)=O)c3)cc2)c1,0.0
O=C1N=C(N[C@@H]2C[C@H]2c2ccccc2)S/C1=C\c1ccc2ncccc2c1,0.0
Cc1ccc(C(=O)NCCCC2CCCCC2)cc1C(=O)Nc1ccc(N)nc1,0.0
CCCCc1nc2[nH]cnc2c2nc(-c3ccccc3Cl)nn12,0.0
Oc1ccc([C@@H]2Cc3ccc(O)cc3N(CC3CC3)C2)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
O=C([O-])[C@@H](Cc1cccc(Oc2ccccc2)c1)Oc1ccc(Cl)cc1,0.0
CC(C)Cc1cc(-c2ccc(OCC[NH2+]C[C@H](O)c3ccc(N)nc3)cc2)ccc1C(=O)[O-],0.0
O=C([O-])C[C@H](NC(=O)c1cncc(S(=O)(=O)NC2CC2)c1)C(=O)CNCc1c(F)cccc1F,0.0
CC1=C2c3ccc4[nH]ncc4c3C[C@]2(Cc2ccc(F)cc2)CCC1=O,0.0
O=C(/C=C/c1ccc2c(c1)C(=O)N([C@H](COC(=O)c1ccccc1)c1ccccc1)C2=O)NO,0.0
CC(=O)Nc1sccc1C(=O)[O-],0.0
O=C1Nc2cc(/C=C/c3ccccc3)ccc2C1=O,0.0
O=C(Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1)c1cccn(-c2ccccn2)c1=O,0.0
O=C([O-])Cn1nc2n(Cc3ccccc3)c3ccccc3n2c(=O)c1=O,0.0
NS(=O)(=O)c1ccc(C2=C(c3ccc(F)cc3)CC3(CCC3)C2)cc1,0.0
CC(C)(CC(=O)N[C@H]1[C@@H]2C[C@H]3C[C@@H](C2)C[C@@H]1C3)Cc1nc(-c2ccc(Cl)cc2)no1,0.0
NC(=[NH2+])c1ccc(C[C@@H](NC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCCC2)cc1,0.0
Nc1ncnc2c1nc(Sc1cc3c(cc1Br)OCO3)n2CCCCc1cn(CCCO)nn1,0.0
Cc1ccc(C2CCCCC2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1,0.0
Cc1ccn(CCC2CCCC2)c(=O)c1-c1ccc2nc(N)ncc2c1,0.0
O=C(Nc1ccccc1)c1c(Nc2ccccc2)[nH]c(=O)[nH]c1=O,0.0
CCSC(=[NH2+])Nc1ccc(Oc2ccccc2)cc1,0.0
CCCCc1sc2ccccc2c1-c1ccc(-c2ccc(O)cc2)cc1,0.0
CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3cc4ccccc4cn3)cc2)no1,0.0
COc1ccc(S(=O)(=O)[C@@](C)(C/C=C/c2ccccc2)C(=O)NO)cc1,0.0
NC(=[NH2+])c1cccc(C(=O)N[C@@H](C(=O)N2CCC(C(=O)c3ccccc3)CC2)c2ccccc2)c1,0.0
Cc1cc(NC(=O)c2c(NCc3ccncc3)ncn2C)ccc1C(F)(F)F,0.0
NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cccc3[nH]cc(Cl)c23)cc1,0.0
O=C([O-])Cc1cc(=O)oc2c1ccc1ccccc12,0.0
O=P([O-])([O-])[C@H](CNc1cc[nH+]cc1)[P@@](=O)([O-])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
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]([NH3+])CC(C)(C)CCc1cccc2ccccc12,0.0
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
O=C1OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccc3ccccc3c21,0.0
CS(=O)(=O)c1ccc(-n2nc(C(N)=O)c3c2-c2c[nH]nc2CC3)cc1,0.0
NC(=[NH2+])c1ccc2[nH]c(-c3cccc(Br)c3[O-])cc2c1,0.0
COc1cccc(-c2cccc(CC[C@]3(C)CC(=O)N(C)C(N)=[NH+]3)c2)c1,0.0
O=C(CCCCCCN1c2cccc3cccc(c23)S1(=O)=O)NO,0.0
CC(C)(C)OC(=O)COc1ccc(CC2=C(n3ccc4ccccc43)c3ccccc3C(=O)C2=O)cc1,0.0
Nc1ncnc2c1ncn2[C@@H]1O/C(=C\F)[C@@H]([O-])[C@H]1O,0.0
Cc1ccc(NC(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)cc1Nc1nccc(-c2cccnc2)n1,0.0
CCN(C(=O)c1cccc(C)c1)c1ccnc(N[C@@H](C)c2ccccc2)n1,0.0
O=C1Cc2ccc3c(c2O1)CCc1ccccc1C3=O,0.0
O=C([O-])c1c[nH]c(-c2ccccc2)n1,0.0
NS(=O)(=O)c1ccc(N/C([S-])=[NH+]/Nc2ccccc2F)cc1,0.0
O=C([O-])CCCCn1c2ccccc2c2ccccc21,0.0
C[C@H](Oc1cc(-c2cnc3ccccn23)sc1C(N)=O)c1ccc(C[N@@H+]2CCNC(=O)C2)cc1Cl,0.0
O=C(Nc1cc(Oc2cccc3[nH]c(=O)[nH]c23)c(F)c(F)c1F)c1cccc(OC(F)(F)F)c1,0.0
CCOC(=O)c1ccc(OC(=O)c2cc3c(cc2C)N(C)CCC3(C)C)cc1,0.0
CCN(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc(-c2nnn[n-]2)cn1,0.0
Cc1nc(N)sc1-c1ccnc(Nc2cccc([N+](=O)[O-])c2)n1,0.0
O=C(Nc1ccc(F)c(-c2ccnc3c(-c4cn[nH]c4)cnn23)c1)c1cccc(C(F)(F)F)c1,0.0
NS(=O)(=O)c1nc2ccc(OCCOC(=O)c3c(F)c(F)c(F)c(F)c3F)cc2s1,0.0
O=C(NO)[C@H]1CN(Cc2cccc(Oc3ccc(F)cc3)c2)C(=O)N1,0.0
O=C1OCC(c2ccc(-c3nnn[n-]3)cc2)=C1c1ccccc1,0.0
CN(Cc1ccc(S(=O)(=O)c2ccccc2)cc1)c1ccc2c3c(cccc13)C(=O)N2,0.0
O=C(Nc1nc([C@@H](Cc2ccccc2)C(=O)NO)cs1)c1cccc(COc2ccccc2)n1,0.0
O=C([O-])COc1ccc(SCc2cc(F)ccc2OCc2ccc(C(F)(F)F)cc2)c2c1CCC2,0.0
NS(=O)(=O)c1ccc(Nc2ccnc([N-]S(=O)(=O)c3c(F)c(F)c(F)c(F)c3F)n2)cc1,0.0
CC(C)(C)n1nc(Cc2cccc3ccccc23)c2c(N)ncnc21,0.0
CN(C)c1ccc(-c2c(-c3ccc(S(N)(=O)=O)cc3)ccc(F)c2F)cc1Cl,0.0
Cc1ccc(N2CN(C(C)(C)C)c3[nH]ncc3C2=[NH2+])cc1,0.0
NC(=[NH2+])c1ccc2ccc(CN(CCc3ccc(F)cc3)C(=O)c3cccc4ccccc34)cc2c1,0.0
CC(C)(NS(=O)(=O)c1ccc2c(Cl)cnc(N=C(N)N)c2c1)C(=O)[O-],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
Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl,0.0
c1ccc(Cc2ccc(OC[C@H]3CCC[NH2+]3)cc2)cc1,0.0
O=C(Nc1c[nH]nc1-c1nc2ccccc2[nH]1)c1ccccc1,0.0
Oc1cc(O)c(-c2noc3ccc(NCCN4CCOCC4)cc23)cc1Br,0.0
C[NH2+]Cc1cc(=O)oc2cc(OCc3ccc4c(c3)OCO4)ccc12,0.0
COc1ccc(S(=O)(=O)N2CN(C3CCCCC3)C(=O)C[C@@H]2C(=O)NO)cc1,0.0
NC(=[NH2+])c1ccc(C2=NO[C@H](CC(=O)Nc3cccc(C(N)=[NH2+])c3)C2)cc1,0.0
Nc1nccc(-c2[nH]c(-c3ccccc3)nc2-c2ccc(Cl)c(O)c2)n1,0.0
CCc1oc2ccccc2c1C(=O)c1cc(C)c(O)c(C)c1,0.0
O=C(c1ccc2c(c1)OCCO2)c1oc2cc(O)ccc2c1-c1cccc2ccccc12,0.0
NS(=O)(=O)c1cccc2c1c([N+](=O)[O-])cc1[nH]c(=O)c(=O)[nH]c12,0.0
CNC(=O)Nc1ccc2c(c1)[C@@H](CC(=O)[O-])c1c-2[nH]c(=O)c2nccn12,0.0
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([O-])C[C@H](O)C[C@H](O)CCc1c(Cl)cc(Cl)cc1OCc1ccccc1,0.0
OC[C@H]1C[N@@H+](CCCc2ccccc2)C[C@@H](O)[C@@H]1O,0.0
CCN(c1nc2ccccc2c(=O)o1)S(=O)(=O)c1ccc(Cl)cc1,0.0
Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccc(CCCC4N=NN=N4)cc3)nc21,0.0
CNc1ncnc(-c2cccnc2Oc2ccc(F)c(C(=O)Nc3cc(C(F)(F)F)ccc3N(C)CCC[NH+](C)C)c2)n1,0.0
O=C([O-])CN1C(=O)S/C(=C\c2cc3ccccc3cc2Cl)C1=O,0.0
O=C([O-])c1sccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1,0.0
Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2ccncc2c1,0.0
CCN(CC)c1ccc2cc(C(=O)NC[C@H]3[NH2+][C@H](CO)[C@H](O)[C@@H]3O)c(=O)oc2c1,0.0
C[C@@H](C1CCCCC1)[N@H+](C)Cc1cc2ccccc2[nH]1,0.0
N#C/C(=C(/N)Sc1ccccc1N)c1cccc([C@@H](O)c2ccccn2)c1,0.0
N#Cc1c(-c2ccccc2)nc(NC(=O)C2CCCC2)nc1-c1ccc2c(c1)OCO2,0.0
[NH3+]C1(C(=O)NCc2ccc(Cl)cc2)CCN(c2ncnc3nc([O-])[nH]c23)CC1,0.0
C[NH+](C)CCNC(=O)c1ccc(Nc2nccc(-c3cc4ccccc4s3)n2)cc1,0.0
O=[N+]([O-])c1ccc2nc(-c3cccnc3)nc(NCc3ccccc3)c2c1,0.0
CCC(=O)Nc1ccc2ncnc(Nc3ccc(NC(=O)Nc4cc(C(C)(C)C)nn4-c4cccc(C)c4)cc3)c2c1,0.0
O=C(CCCCc1ccccc1)c1ccc(O)c(O)c1[N+](=O)[O-],0.0
O=C(C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CCC[C@@H](C(=O)[O-])C1)NO,0.0
c1coc(Cc2ccc(OCC[NH+]3CCCC3)cc2)c1,0.0
O=c1cc(C(F)(F)F)c2c(ccc3c2oc(=O)c2cccc(O)c23)[nH]1,0.0
Cc1oc(-c2ccccc2)nc1CCOc1cccc(CC2=C(C(=O)[O-])CCN(c3nccc(C(F)(F)F)n3)C2)c1,0.0
CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccncc1C)Oc1ccc(F)cc1-3,0.0
CCOC(=O)c1nc2cnc(Nc3ccccc3)nc2n(-c2ccccc2)c1=O,0.0
O=C(NCc1ccccc1)c1nc(-c2ccccc2)[nH]c(=O)c1O,0.0
NC(=[NH2+])c1ccc2oc(C(=O)N3CCN(C(=O)N4CCN(C(=O)c5cc6cc(C(N)=[NH2+])ccc6o5)CC4)CC3)cc2c1,0.0
Cn1c(=O)cc(-c2cccc(Cl)c2)c2cc(Cn3c[nH+]cc3Cc3ccc(C#N)cc3)cnc21,0.0
N/C(=[NH+]\CCN1CCNC(=O)C1)c1c(Nc2ccc(Oc3cc(Cl)ccc3Cl)cc2)s[nH]c1=O,0.0
FC(F)C(F)(F)Oc1cccc(Nc2nccc(-c3c[nH]c4ccccc34)n2)c1,0.0
Nc1ncc(Cc2cccc(O[C@@H]3CCCCO3)c2)c(N)n1,0.0
Cn1c(/C=C/C(=O)NO)ccc1C(=O)Cc1ccccc1,0.0
O=C([O-])Cc1ccccc1OCC[C@H]1Oc2ccccc2N(CCC2CCCCC2)C1=O,0.0
CCn1cc(-c2ccnc3[nH]ccc23)c(-c2cccc(NC(=O)Nc3ccc(OCc4ccccc4)cc3)c2)n1,0.0
O=S(=O)(c1ccc(O)cc1)N(Cc1ccccc1)c1ccccc1,0.0
CN(Cc1cccnc1)c1ccc(NC(=O)C2CC2)c(C(=O)[O-])c1,0.0
Cc1cc(Nc2nc(Sc3ccc(Cl)cc3)nc3ccccc23)n[nH]1,0.0
CSCC[C@H](NC(=O)c1cccc(CN(Cc2c[nH]c[nH+]2)Cc2cccc3ccccc23)c1)C(=O)[O-],0.0
Cc1onc(-c2ccccc2)c1C[NH2+]C[C@H](O)c1ccc([O-])c2[nH]c(=O)sc12,0.0
O=C([O-])CNc1cccc(-c2ccccc2-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1,0.0
Nc1nc(N)c2cc(/C=C/C(=O)Oc3ccccc3)ccc2[nH+]1,0.0
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
O=c1c2ccccc2c(S(=O)(=O)c2ccccc2)c([O-])n1Cc1ccccc1,0.0
COc1cc2ncc(C#N)c(Nc3ccc(SC)cc3)c2cc1OC,0.0
O=C(Cc1ccccc1)Nc1n[nH]c2ccc(N3CCCC3=O)cc12,0.0
Cn1ccc2cc(Nc3ncc(C(F)(F)F)c(NCc4ccccn4)n3)ccc21,0.0
CNC(=O)C(=O)CCCCCCC(=O)Nc1ccc2ccccc2c1,0.0
O=C(OCc1ccc([C@H]2CC[NH2+]C[C@@H]2OCc2ccc3ccccc3c2)cc1)c1ccccc1,0.0
O=C([O-])CCCOc1cccc(CCCCCCOc2cc(-c3ccncc3)cc(-c3ccncc3)c2)c1CCC(=O)[O-],0.0
CC[C@H](Cc1ccc(OC)c(CC(=O)Nc2ccc(C(F)(F)F)cc2)c1)C(=O)[O-],0.0
COCCN(C)C(=O)c1cn(Cc2cncn2Cc2ccc3c(c2)OCO3)cc1-c1cccc2ccccc12,0.0
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(CCOc1c[nH]c2ccccc12)NCCCCCNc1c2c([nH+]c3cc(Cl)ccc13)CCCC2,0.0
Cc1c[nH]c(/C=C2\C(=O)Nc3ccccc32)c1CCC(=O)[O-],0.0
O=C([O-])C1=C(C(=O)Nc2ccc(-c3cccc4ccccc34)cc2C(F)(F)F)CCC1,0.0
CC[C@H](c1ccccc1)c1c(OC)oc2ccccc2c1=O,0.0
CC[C@H](Cc1ccccc1)c1cc(O)c([C@H](c2cccc([N-]S(=O)(=O)c3cccc4cccnc34)c2)C2CC2)c(=O)o1,0.0
Clc1cccc(Nc2ncnc3[nH]c4c(c23)CCCC4)c1,0.0
CCOc1ccc([C@@H](Nc2ccc(C(N)=[NH2+])cc2)C(=O)NCc2ccccc2)cc1OCC,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
CS(=O)(=O)[N-]c1ccc(-c2ccnc(Nc3cccc(C[NH+]4CCCC4)c3)n2)cc1,0.0
O=C1NC(=O)C(c2cn(CCCn3cc[nH+]c3)c3ccccc23)=C1Nc1ccccc1,0.0
C[C@@H](Oc1ccc2ncc(/C=C/C(N)=O)cc2c1)c1c(Cl)ccc(F)c1Cl,0.0
NS(=O)(=O)c1ccc(CCNc2[nH]c(=O)[nH]c(=O)[nH+]2)cc1,0.0
O=C1CC[C@]2(Cc3ccccc3)Cc3cc(O)ccc3C2=C1c1ccc(O)cc1,0.0
COc1ccc(C2=C(c3ccc4c(c3)oc(=O)n4C)COC2=O)cc1,0.0
Cc1cccc(Cl)c1Nc1nc2ccccc2n1-c1cc(Nc2ccc(CCN3CCOCC3)cn2)ncn1,0.0
O=C1C(=O)N(Cc2ccccc2)c2ccc([N+](=O)[O-])cc21,0.0
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)c(O)c(O)c12,0.0
Cc1ccn2c(c1)nc1c3ccccc3c(=O)[nH]c12,0.0
NC(=O)c1cccc2[nH]c(-c3ccc(C(F)(F)F)cc3)nc12,0.0
C[C@@H]1CC(C)(C)Nc2cc3c(cc21)-c1ccccc1C3,0.0
CCn1c(=O)c2c(c3cc(-c4cc(/C=C/C(=O)[O-])ccc4OC(F)(F)F)ccc31)CCC2,0.0
Cc1nnc(-c2ccc(-c3cc(NC(=O)c4ccnc(N5CCCC5)c4)ccc3C)c(C)c2)o1,0.0
O=C(CCCCCSc1nc(-c2ccccc2)cc(=O)[nH]1)NO,0.0
O=C(NCc1cccs1)c1ccc(Nc2nc3ccccc3[nH]c2=O)cc1,0.0
Nc1ccc(-c2ccccc2)cc1NC(=O)c1cccnc1,0.0
C[C@@]1(Cc2ccccc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ccccc21,0.0
Cc1c(Cc2ccc(F)cc2)c(=O)oc2cc(OC(=O)N(C)C)ccc12,0.0
NC(=[NH2+])c1ccc(CC[C@@H](CC(=O)n2cccc2)c2cccc(C(N)=[NH2+])c2)cc1,0.0
O=C(CCn1nnnc1-c1ccc2c(c1)OCO2)c1ccccc1,0.0
COC[C@H](C)Nc1cc(-c2c(-c3ccccc3)nc3nc(N)ccn23)ccn1,0.0
O=C(CCc1ccccc1)NCCC[C@H](NS(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1)C(=O)[O-],0.0
COc1cc(Nc2nccc(-c3ccc(NCC[NH3+])nc3)n2)cc(OC)c1OC,0.0
Oc1ccc(-c2cnc(N3CCc4c([nH]c5ccccc45)[C@H]3c3ccc4c(c3)CCO4)nc2)cc1,0.0
O=C([O-])CCc1ccc(OCCN(Cc2ccc(C(F)(F)F)cc2)c2nc3ccccc3s2)cc1,0.0
c1ccc(-c2nn(-c3ccccc3)c3c2CCCCC3)cc1,0.0
CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)N1CCCC1=O)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C(=O)OC(C)C,0.0
CC(C)(Cc1ccc2ccccc2c1)[NH2+]C[C@@H](O)COc1cccc(Cl)c1C#N,0.0
Cc1cc2oc(Cc3cc(Cl)ccc3-n3cncn3)nc2c(NCC(F)(F)c2ccccn2)n1,0.0
Nc1ncnc2n[nH]c(-c3ccc(Cl)cc3)c12,0.0
NC(=O)c1ccc(Nc2cc(-c3ccc(F)cc3)[nH]n2)cc1,0.0
Cc1cc2c(nn1)-c1cc(OCc3ccccc3)ccc1C2=O,0.0
O=C(Nc1ccccc1)c1cc(-c2ccncc2)nc2ccccc12,0.0
COc1cc(C[C@@H](CO)[C@H](CO)Cc2ccc3c(c2)OCO3)cc(OC)c1OC,0.0
Cc1n[nH]c(Nc2ccc(OC(F)(F)F)cc2)c1C#N,0.0
Cc1ccoc1C(=O)Nc1ccccc1C(=O)[O-],0.0
O=C1c2ccccc2C(=O)C12C(c1ccc(O)cc1)=Cc1cc(O)ccc12,0.0
CCCc1c([S@](=O)C2CCCCC2)c2cc(Cl)ccc2[nH]c1=O,0.0
Cc1cc(CNC(=O)c2cc(C(=O)NCc3ccc(F)c(C)c3)ncn2)ccc1F,0.0
CC1(C)CCC(C)(C)c2cc(C3(c4ccc(C(=O)[O-])cc4)OCCCO3)ccc21,0.0
Cn1nc(-c2ccccc2)c2c1NC(=O)[C@H]1CCCC[C@@H]21,0.0
COc1ccc(-c2nc(NCc3ccccc3)sc2-c2ccc(S(N)(=O)=O)cc2)cc1F,0.0
NC(=[NH2+])c1cc2c(/C=C/c3ccc4c(c3)OCO4)cccc2s1,0.0
O=C(O[C@H](CCCc1ccccc1)Cc1ccccc1)[C@@H]1CCCCN1S(=O)(=O)Cc1ccccc1,0.0
O[C@H]1CC[C@H](c2n[nH]cc2-c2ccnc(NC3CCCC3)n2)CC1,0.0
COc1ccc(CCc2c(-c3ccccc3)[nH]c3ccc(CC(=O)[O-])cc23)cc1,0.0
O=C([O-])c1cn2c3c([nH]c(=O)c2n1)-c1ccc(F)cc1C3,0.0
O=C(N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-])c1c(F)cccc1Cl,0.0
O=P([O-])([O-])C(F)(F)c1ccc(CN(Cc2ccc(-c3csnn3)cc2)S(=O)(=O)c2ccccc2)cc1,0.0
C[NH+]1CCN(c2ccc3nc(-c4c(N)c5cc(C(=O)NCc6ccccc6)ccc5[nH]c4=O)[nH]c3c2)CC1,0.0
O=C(NCCCn1cnc(-c2ccc(F)cc2)c1-c1ccncc1)c1ccccc1,0.0
COc1cc(O)c(CC=C(C)C)c2oc(-c3ccc(O)cc3)c(O)c(=O)c12,0.0
[NH3+]Cc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)C(O)(c1ccccc1)c1ccccc1,0.0
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
CC(C)C[C@@H](C=O)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1,0.0
[H]/N=c1/[nH]c(N2CC[N@@H+]3C[C@@H](COc4ncnc5ccccc45)CC[C@H]3C2)nc2nc(-c3ccco3)nn12,0.0
O=C(N[C@H](Cc1ccccc1)C(=O)CCC(=O)N1CCC[C@H]1C(=O)[O-])c1ccco1,0.0
O=C(Cc1ccccn1)Nc1ccc(CC[NH2+]C[C@H](O)COc2cccc3[nH]c(=O)[nH]c23)cc1,0.0
O=C([O-])c1ccc(-c2ccc(CC[NH2+]C[C@H](O)c3cccc(Cl)c3)cc2Cl)cc1,0.0
C[C@H](O)[C@H](C(=O)[O-])N1C(=O)c2ccccc2C1=O,0.0
O=c1cc(-c2ccccc2)c2ccc(O)cc2o1,0.0
Cn1cc(C2=C(c3coc4cc(CO)ccc34)C(=O)NC2=O)c2cccc(CO)c21,0.0
CC(C)CCN1C(=O)[C@H](CC(=O)NO)Cc2ccccc21,0.0
O=C1NC(=O)c2cc(Nc3ccccc3)c(Nc3ccccc3)cc21,0.0
Oc1ccc(-c2ccc3c(-c4ccccc4)c(O)ccc3c2)cc1,0.0
C[C@@H]1CCC[NH+]=C1N[C@@H](P(=O)([O-])[O-])[P@@](=O)([O-])O,0.0
O=P([O-])([O-])[C@@](F)(Cc1cccnc1)[P@@](=O)([O-])O,0.0
CCc1nnc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)s1,0.0
O=C(Nc1cccs1)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1,0.0
N[C@H](Cc1c(-c2nnn(Cc3ccccc3)n2)o[nH]c1=O)C(=O)[O-],0.0