NC(=[NH2+])C1=CC=C(NC(=O)C2=C(O)C=C3C=C4C=CC=CC4=CC3=C2)C=C1	1
NC(=[NH2+])C1=CC2=C(OC(C[NH2+]CC3=CC=CC=C3)C3=CC=CC=C3)C=CC=C2S1	2
NC(=[NH2+])C1=CC=C2C=C(C(=O)NC3=CC=C4CCCC4=C3)C=CC2=C1	1
NC(=[NH2+])C1=C(F)C=C2N=C(C3=CC=CC(OC[C@H]4CCC[NH2+]4)=C3O)NC2=C1	2
NC(=[NH2+])C1=C(F)C=C2NC(C3=CC=CC(OC[C@H]4CCC[NH2+]4)=C3O)=NC2=C1	2
COC1=CC=C(C(=O)[O-])C=C1C1=CC=C2C(Cl)=CN=C(NC(N)=[NH2+])C2=C1	0
COC1=CC=C(C(=O)[O-])C=C1C1=CC=C2C(Cl)=CN=C(NC(=N)N)C2=C1	-1
NC(=[NH2+])NCCC[C@@H](CCl)NC(=O)[C@@H]1CCCN1C(=O)[C@H]([NH3+])CC1=CC=CC=C1	2
CC(C)COC(=O)N[C@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H]1CCCN(C(N)=[NH2+])C1O	1
NC(=[NH2+])NC(=O)C1=NC(C2=COC=C2)=C(NCCCC2=CC=CC=C2)N=C1N	1
N=C(N)NC(=O)C1=NC(C2=COC=C2)=C(NCCCC2=CC=CC=C2)N=C1N	0
COC(=O)NC1=C2C=C(C(N)=[NH2+])C=CC2=CC=C1	1
NC(=[NH2+])C1=C(F)C=C2N=C(C3=CC=CC(OCC4CCCO4)=C3O)NC2=C1	1
NC(=[NH2+])C1=C(F)C=C2NC(C3=CC=CC(OCC4CCCO4)=C3O)=NC2=C1	1
NC(=[NH2+])C1=CC=C2C=C(/C=C/C3=CC=C4C[NH2+]CCC4=C3)C=CC2=C1	2
C[C@H]1CCCC[C@@H]1OC1=CC=CC(C2=NC3=CC(C(N)=[NH2+])=C(F)C=C3N2)=C1O	1
COC1=CC=C(C2=CSC(C3=C(SC)SC(C(N)=[NH2+])=C3)=N2)C=C1OC	1
COC1=CC=C2C=CC(C(N)=[NH2+])=CC2=C1C1=CN(S(C)(=O)=O)N=C1	1
NC(=[NH2+])C1=CC=C2C=C(CCC3=CC=CC=C3)C=C(C3=COC=C3)C2=C1	1
NC(=[NH2+])C1=CC=C2C=C(C(=O)NC3=CC=C4OCOC4=C3)C=CC2=C1	1
CC(C)(C)NC(=O)N1CCN(C(=O)N2C(=O)[C@H](CC3CC[NH2+]CC3)[C@H]2C(=O)[O-])CC1	0
NC(=[NH2+])NC1=NC=C(Cl)C=C1C#CC1=CC=CC=C1	1
N=C(N)NC1=NC=C(Cl)C=C1C#CC1=CC=CC=C1	0
NC(=[NH2+])NC1=NC=C(Cl)C=C1OCC1=CC=CC=C1	1
NC(=[NH2+])NC1=NC=C(Cl)C=C1C=CC1CCCCC1	1
NC(=[NH2+])C1=CC=C2C=C(/C=C/C3=CC=CC(CCO)=C3)C=CC2=C1	1
NC(=[NH2+])C1=CC=C2C=C(C3CC3C3=CC=CC=C3)C=C(C3=COC=C3)C2=C1	1
NC(=[NH2+])NC1=C2C=C(S(=O)(=O)N3CC(C(=O)[O-])C3)C=CC2=C(Cl)C=N1	0
N=C(N)NC1=C2C=C(S(=O)(=O)N3CC(C(=O)[O-])C3)C=CC2=C(Cl)C=N1	-1
NC(=[NH2+])C1=CC=C2C=CC=C(NC3=NC=CC=N3)C2=C1	1
CC(C)(C)NC(=O)N1CCN(C(=O)N2C(=O)[C@H](CCCNC(N)=[NH2+])[C@H]2C(=O)[O-])CC1	0
CSC1=C(C2=CSC(C3=CC=CC=C3)=N2)C=C(C(N)=[NH2+])S1	1
C[C@H]1CCC[C@@H]1OC1=CC=CC(C2=NC3=CC(F)=C(C(N)=[NH2+])C=C3N2)=C1O	1
C[C@H]1CCC[C@@H]1OC1=CC=CC(C2=NC3=CC(C(N)=[NH2+])=C(F)C=C3N2)=C1O	1
NC(=[NH2+])NC1=NC=C(Cl)C=C1C=CC1=CC=C2OCOC2=C1	1
CSC1=C(C2=CSC(NCC3=CC=C(C)C=C3)=N2)C=C(C(N)=[NH2+])S1	1
NC(=[NH2+])C1=CC=C2C=C(/C=C/C3=CC=CC=C3)C=C(NC3=NC=CC=N3)C2=C1	1
CC(C)(NS(=O)(=O)C1=CC=C2C(Cl)=CN=C(NC(=N)N)C2=C1)C(=O)[O-]	-1
CC(C)(NS(=O)(=O)C1=CC=C2C(Cl)=CN=C(NC(N)=[NH2+])C2=C1)C(=O)[O-]	0
NC(=[NH2+])C1=CC2=C(/C=C/C3=CC=C4OCOC4=C3)C=CC=C2S1	1
NC(=[NH2+])C1=CC=C2NC(C3=CC(CCCC(=O)[O-])=CC(Br)=C3[O-])=C(CC3=CC=CC=C3)C2=C1	-1
NC1=CC=C2C=CC=C(NC3=NC=CC=N3)C2=N1	0
NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1CCC2CC[C@@]([NH3+])(CC3=CC=CC=C3)CN21)C(=O)C1=NC2=CC=CC=C2S1	2
COC1=CC=C2C=CC(C(N)=[NH2+])=CC2=C1C1CCOC1	1
NC(=[NH2+])C1=CC=C2C=CC=C(NC(=O)OCC3=CC=CC=C3)C2=C1	1
NC(=[NH2+])C1=CC=C2NC(C3=CC=CC(OC4=CC=CC=C4)=C3O)=CC2=C1	1
NC(=[NH2+])C1=CC2=C(OC(CO)C3=CC=CC=C3)C=CC=C2S1	1
NC(=[NH2+])C1=CC=C(NC(=O)C2=C([O-])C=C3C=C4C=CC=CC4=CC3=C2)C=C1	0
NC(=[NH2+])C1=CC=C2NC(C3=CC=CC(C4=CC=CC=C4)=C3O)=CC2=C1	1
NC(=[NH2+])NC1=C2C=C(S(=O)(=O)N3CCOCC3)C=CC2=C(Cl)C=N1	1
N=C(N)NC1=C2C=C(S(=O)(=O)N3CCOCC3)C=CC2=C(Cl)C=N1	0
COC(=O)C1=CC=NN1C(=O)C1=CC=C(Cl)C=C1	0
NC(=[NH2+])C1=CC=C2C=C(/C=C/C3=CC=CC=C3)C=C(C3=COC=C3)C2=C1	1
C=C1CC(C2=CC=C(NC(N)=[NH2+])C=C2)CC(=O)O1	1
CSC1=C(C2=CSC(NCCCC3=CC=CC=C3)=N2)C=C(C(N)=[NH2+])S1	1
NC(=[NH2+])N1CCC[C@H](NC(=O)C2CCN2C(=O)[C@@H](CO)NC(=O)OCC2=CC=CC=C2)C1O	1
CC(C)COC1=CC=CC(C2=NC3=CC(F)=C(C(N)=[NH2+])C=C3N2)=C1O	1
CC(C)COC1=CC=CC(C2=NC3=CC(C(N)=[NH2+])=C(F)C=C3N2)=C1O	1
CN1CCN(S(=O)(=O)C2=CC=C3C(Cl)=CN=C(NC(=N)N)C3=C2)CC1	0
CSC1=C(C2=CC=CC=C2)C=C(C(N)=[NH2+])S1	1
NC(=[NH2+])C1=CC=C2C=C(CCC3=CC=C4C[NH2+]CCC4=C3)C=CC2=C1	2
NC(=[NH2+])C1=CC=C2OC(C3=CC=CC(C4=CC=CC=C4)=C3O)=CC2=C1	1
NC(=[NH2+])NCCC[C@@H](CCl)NC(=O)[C@@H]1CCN2CC[C@@]([NH3+])(CC3=CC=CC=C3)CN12	2
NC(=[NH2+])C1=CC2=C(NC3=NC=CC=N3)C=CC=C2S1	1
CC(C)C1=[NH+]CCC2=CC(C3CC3C3=CC=C4C=C(C(N)=[NH2+])C=CC4=C3)=CC=C21	2
NC(=[NH2+])C1=CC2=C(OC(C(=O)NCC3=CC=CC=C3)C3=CC=CC=C3)C=CC=C2S1	1
NC(=[NH2+])C1=CC2=C(I)C=CC=C2S1	1
NC(=[NH2+])C1=CC=C2C=C(C(=O)NC3=CC=C4NCCCC4=C3)C=CC2=C1	1
C[C@H]1CCCC[C@@H]1OC1=CC=CC(C2=NC3=CC(F)=C(C(N)=[NH2+])C=C3N2)=C1O	1
NC(=[NH2+])C1=CC=C2C=C(CCC3=CC=CC=C3)C=C(NC3=NC=CC=N3)C2=C1	1
N=C(N)NC1=CC=C(NC(=O)C2=C(O)C=C3C=C4C=CC=CC4=CC3=C2)C=N1	0
N=C(N)NC1=CC=C(NC(=O)C2=C([O-])C=C3C=C4C=CC=CC4=CC3=C2)C=N1	-1
NC(=[NH2+])C1=CC=C2NC(C3=CC=CC(Br)=C3[O-])=CC2=C1	0
NC(=[NH2+])C1=CC=C2NC(C3=CC=CC(Br)=C3O)=CC2=C1	1
NC(=[NH2+])C1=CC=C2NC(C3=CC=CC(OC4CCCC4)=C3O)=CC2=C1	1
NC(=[NH2+])NCC1=CC=C(C2CC/C(=C/I)OC2=O)C=C1	1
CC1=CC(I)=C(O)C(C(=O)NC2=CC=C(C(N)=[NH2+])C=C2)=C1	1
CC1=CC(I)=C([O-])C(C(=O)NC2=CC=C(C(N)=[NH2+])C=C2)=C1	0
N=C(N)NC1=NC=C(Cl)C=C1C=CC1=CC=C2OCOC2=C1	0
NC(=[NH2+])C1=CC=C2C=C(NC(=O)NC3=CC=CC=C3)C=CC2=C1	1
C[C@H](NC(=O)[C@@H](CO)NC(=O)OCC1=CC=CC=C1)C(=O)N[C@H]1CCCN(C(N)=[NH2+])C1O	1
CC(C)OC1=CC=CC(C2CC2C2=CC=C3C=C(C(N)=[NH2+])C=CC3=C2)=C1	1
NC(=[NH2+])C1=CC=C2C=C(C(=O)NC3=CC=CC(CC4CCCC4)=C3)C=CC2=C1	1
COC1=CC=C2C=CC(C(N)=[NH2+])=CC2=C1OC1=CN=CC=N1	1
NC(=[NH2+])C1=CC2=CC=C(C#CC3=CC=C(C[NH3+])C=C3)C=C2C=C1	2
CSC1=C(C2=CSC(NC3=CC=C4OCOC4=C3)=N2)C=C(C(N)=[NH2+])S1	1
N=C(N)NC1=NC=C(Cl)C=C1C=CC1=CC=CC(C(=O)[O-])=C1	-1
NC(=[NH2+])NC1=NC=C(Cl)C=C1C=CC1=CC=CC(C(=O)[O-])=C1	0
NC(=[NH2+])C1=CC=C2C=C(C#CC3=CC=C4C[NH2+]CCC4=C3)C=CC2=C1	2
NC(=[NH2+])C1=CC=C2C=C(C3OC3C3=CC=CC=C3)C=CC2=C1	1