CC1=NOC(C2=CC=CC(CC3=NNC(=O)C4=CC=CC=C43)=C2)=N1	0
O=C1C=CC(=O)N1C1=CC(CC2=NNC(=O)C3=CC=CC=C32)=CC=C1	0
O=C(NC1=CC=CC(CC2=NNC(=O)C3=CC=CC=C32)=C1)C1CC1	0
C[NH+](C)CC(=O)NC1=CC=C2C(=C1)CC1=C2NC(=O)C2=CC=CC=C12	1
CN(C)CC(=O)NC1=CC=C2C(=C1)CC1=C2NC(=O)C2=CC=CC=C12	0
O=C1NC2=C(C[NH2+]CC2)C2=CC=C(F)C=C12	1
NC1=C2C=CC=C3C(=O)NC(=O)C(=C32)C=C1	0
CC1(C2=NC3=CC=CC(C(N)=O)=C3N2)CC[NH2+]1	1
CC1(C2=NC3=C(C(N)=O)C=CC=C3N2)CC[NH2+]1	1
O=C1NC2=CC=C(C[NH2+]C3CC3)C=C2N2C=CC=C12	1
CN(C)CC(=O)NC1=CC=C2NC(=O)C3=CC=CC=C3C2=N1	0
CN1N=C(C2=CC=CC=C2)C2=C1NC(=O)C1CCCCC21	0
O=C1NC2=CC(C3=CC=CO3)=NN2C2=CC=CC=C12	0
NC(=O)C1=CC=CC=C1OCC1=CC=CC(C(=O)N2CC[NH2+]CC2)=C1	1
NC(=O)C1=CC=CC=C1OCC1=CC=CC(C(=O)N2CCNCC2)=C1	0
C[N@H+]1C(C)(C)C=C(C2=NC3=C(C(N)=O)C=CC=C3N2)C1(C)C	1
C[N@@H+]1C(C)(C)C=C(C2=NC3=C(C(N)=O)C=CC=C3N2)C1(C)C	1
C[N@H+]1C(C)(C)C=C(C2=NC3=CC=CC(C(N)=O)=C3N2)C1(C)C	1
C[N@@H+]1C(C)(C)C=C(C2=NC3=CC=CC(C(N)=O)=C3N2)C1(C)C	1
O=C1NC2=CC(C[NH+]3CCCC3)=CC=C2N2C=CN=C12	1
CC1=CC=CC2=C1C=C(CC[N@@H+]1CCC[C@@H]1CO)NC2=O	1
CC1=CC=CC2=C1C=C(CC[N@H+]1CCC[C@@H]1CO)NC2=O	1
O=C(CC[NH+]1CCCCC1)N1CCC2=C(C1)C1=CC=C(F)C=C1C(=O)N2	1
CN1CCN(C2=CC=C3NC(=O)C4=CC=CC=C4C3=N2)CC1	0
C[NH+]1CCN(C2=CC=C3NC(=O)C4=CC=CC=C4C3=N2)CC1	1
O=C(CCN1C(=O)NC(=O)C2=C1CCCC2)NCC(=O)C1=CC=C2C=CC=CC2=C1	0
CC1=NC2=C(CSCC2)C(=O)N1	0
NC(=O)C1=CC=CC2=CC(C3CCCCC3)=NN21	0
O=C1NC(N2CC([N@@H+]3CC=C(C4=CC=CC=C4)CC3)C2)=NC2=CC=CC=C12	1
O=C1NC(N2CC(N3CC=C(C4=CC=CC=C4)CC3)C2)=NC2=CC=CC=C12	0
O=C1NC(N2CC([N@H+]3CC=C(C4=CC=CC=C4)CC3)C2)=NC2=CC=CC=C12	1
NC(=O)C1=C2N=C(C3(N)CC3)NC2=CC=C1	0
NC(=O)C1=C2N=C(C3([NH3+])CC3)NC2=CC=C1	1
N/C(=N/O)C1C2=C3C(=CC=C2)C(=O)NCCN3C1C1=CC=C(F)C=C1	0
O=C1NC2=CC=C(O)C=C2C2=C1CSCC2	0
[NH3+]CCC1=CNC2=CC=C3C(=O)NCCC3=C12	1
O=C1NC2=CC(C[NH2+]C3CC3)=CC=C2N2C=CC=C12	1
CC1=C(C)C2=C(C(=O)NC2=O)C2=C1NC1=C2C=CC=C1	0
CCOC1=CC=C(C2=CSC(\N=C\C3=CNC4=CC=CC=C34)=N2)C(OCC)=C1	0
O=C1NN=C(CCCC[NH+]2CCOCC2)C2=CC=CC=C12	1
O=C1NN=C(CCCCN2CCOCC2)C2=CC=CC=C12	0
CC1=NC2=C([O-])C=CC=C2C(=O)N1	-1
CC1=NC2=C(O)C=CC=C2C(=O)N1	0
NC(=O)C1=CC=CC2=C1C(=O)N(C1CC[NH2+]C1)C2	1
O=C1NC2=CC(S(=O)(=O)[O-])=CC=C2C2=CC=C(F)C=C12	-1
O=C1NCC2=C3C(=CC=C2)C=CC=C13	0
O=C1NC2=C(CC[NH2+]C2)C2=CC=CC=C12	1
O=C1NC(NCCN2CCN(C3=NNC4=CC=CC=C43)CC2)=NC2=CC=CC=C12	0
O=C1NC(CCC[NH+]2CCC(C3=CC=CC=C3)CC2)=NC2=CC=CC=C12	1
C[NH+](C)CC1=CC=C2C(=C1)CNC(=O)C1=CC=CN12	1
C[NH2+]CC1=CC=C(N2C=C3C=C(F)C=C(C(N)=O)C3=N2)C=C1	1
O=C1NCC2C3=C1C=CC=C3CC[N@H+]2CC1=CC=CC=C1	1
O=C1NC(CCC[NH+]2CCN(C3=CC=CC=C3)CC2)=NC2=CC=CC=C12	1
CCC(=O)NC1=CC=CC(CC2=NNC(=O)C3=CC=CC=C32)=C1	0
O=C1NC=CC2=CC=CC=C12	0
O=C1NCC2=CNC3=CC=CC1=C23	0
CC1=CC=C2C=CC=C(C(N)=O)C2=N1	0
CC1=CC=CC2=C1CCNC2=O	0
CC(C)CN1CC2=CC=CC(C(N)=O)=C2C1=O	0
NC(=O)C1=CC=CN2N=C(C3=CC=CC=C3)N=C12	0
C[NH+](C)CC1=CC=C(C2=C3CNC(=O)C4=C3C(=CC=C4)N2)C=C1	1
O=C1NC2=C(CC3=CC(S(=O)(=O)NCCCN4C=CN=C4)=CC=C32)C2=CC=CC=C12	0
NC1=CC=CC2=C1C=CNC2=O	0
O=C1NCCN2C=C(/C=N/O)C3=CC=CC1=C32	0
CC1=CC2=NC3=C(NC(=O)C4=CC=CC=C34)N2C=C1	0
O=C1NC(C2=CC=C(C(F)(F)F)C=C2)=NC2=C1CSCC2	0
O=C(C1=CN2CCNC(=O)C3=C2C1=CC=C3)C1=CC=CC=C1	0
C[NH+](C)CC1=CC=C(C2=CNC(=O)C3=CC=CC(O)=C32)C=C1	1
CC1=NN(C)C2=C1C1=C(CCC1)C(=O)N2	0
O=C1NC(CCC[NH+]2CCC(=CC2)C2=CC=CC=C2)=[NH+]C2CCCC12	2
O=C1NC(CCC[NH+]2CCC(=CC2)C2=CC=CC=C2)=NC2CCCC12	1
O=C1NC(=O)C2=C1C1=C(CCC1)C1=C2C2=C(C=CC(C3=CSC(C4=CC=NO4)=N3)=C2)N1	0
O=C1NC2=CC=C(N3C[C@H]4C[C@@H]3C[NH2+]4)N=C2C2=CC=CC=C12	1
O=C1NCCC2=C(OCCCC[NH+]3CCCCC3)C=CC=C12	1
O=C(C1=CC(CC2=NNC(=O)C3=CC=CC=C32)=CC=C1F)N1CCC[NH2+]CC1	1
NC(=O)C1=CC=CC2=CN(C3=CC=C4CC[NH2+]CC4=C3)N=C21	1
O=C(C1C[NH2+]C1)N1CCC2=CC=CC3=C2C1CNC3=O	1
O=C(NC1=NC(C2=CC=CC=C2)=CS1)C1=CC=NC=C1	0
O=C1NCCN2C(C3=CC=CC=N3)=CC3=CC=CC1=C32	0
O=C1NC2=CC(C[NH+]3CCOCC3)=CC=C2C2=CC=CC=C12	1
O=C1NC2=CC(CN3CCOCC3)=CC=C2C2=CC=CC=C12	0
CC1=CC=CC2=C1N=C(NC2=O)C1=CC=C(C=C1)N(=O)=O	0
O=C1NCC2C3=C1C=CC=C3CCN2CC1=CC=CC=C1	0
O=C1NCC2C3=C1C=CC=C3CC[N@@H+]2CC1=CC=CC=C1	1
CC[N@@H+]1CCC(OC2=CC=C3NC(=O)C4=C(CCSC4)C3=C2)C1	1
CC[N@H+]1CCC(OC2=CC=C3NC(=O)C4=C(CCSC4)C3=C2)C1	1
CCOC(=O)CCC(=O)NC1=NC(=CS1)C1=CC=CC=C1	0
O=C1NC(=O)C2=C3CCCC3=C3NC=CC3=C12	0
NC(=O)C1=CC=CC=C1OCCC1=CC=CC(C(=O)N2CCNCC2)=C1	0
NC(=O)C1=CC=CC=C1OCCC1=CC=CC(C(=O)N2CC[NH2+]CC2)=C1	1
O=C1NC(C2=C[C@@H]([NH+]3CCC(C4=CC=CC=C4)CC3)CC2)=NC2=C1C=CC=C2Cl	1
O=C1NC2=C(CCCC2)C2=CC=CC=C12	0
C[NH+](C)CC1=CC=C2C(=C1)NC(=O)C1=NC=CN12	1
CC1=NN(C)C2=C1C1=C(CCCC1)C(=O)N2	0
CC1=NC2=CC=CC3=C2N1CCNC3=O	0
CC1=C(C)C(CC2=CC=C(F)C(C(=O)N3CCC4(CC[NH2+]4)CC3)=C2)=NNC1=O	1
N#CC1=CC2=C(C=C1)NC1=C2C2=C(C(=O)NC2)C2=C1CCC2	0
O=C(CN1CCOCC1)NC1=CC=C2CC3=C(NC(=O)C4=CC=CC=C34)C2=C1	0
COC1=C2CCNC(=O)C3=C2C(=CC=C3)N1	0
NC(=O)C1=C2N=C(C3=CC=C4OCOC4=C3)NC2=CC=C1	0
NC(=O)C1=C2NC(C3=CC=C4OCOC4=C3)=NC2=CC=C1	0
O=C1NC(=O)C2=C3C=CNC3=CC=C12	0
O=C1NC(CCC[NH+]2CCC(=CC2)C2=CC=CC=C2)=NC2=C1CCC2	1
C[NH+](C)CC(=O)NC1=CC=C2NC(=O)C3=CC=CC=C3C2=N1	1
C[NH+](C)CC1=CC=C2C(=C1)NC(=O)C1CCCCN21	1
O=C1NC2=CC=C(S(=O)(=O)NCC[NH+]3CCCCC3)C=C2C2=CC=CC=C12	1
O=C1NC2=CC=C(S(=O)(=O)NCCN3CCCCC3)C=C2C2=CC=CC=C12	0
O=C1NC2=CC=CN=C2C2=CC=CC=C12	0
O=C(NCCC1=CC=CC=C1)C1=CC=C2C(=C1)NC(=O)C1=CC(F)=CC=C21	0
C[NH+](C)CC1=CC=C2C(=C1)NC(=O)C1CCCN21	1
O=C1NC(CCC[N@H+]2CCC3=C(C2)NC2=CC=CC=C23)=NC2=CC=CC=C12	1
O=C1NC(CCC[N@@H+]2CCC3=C(C2)NC2=CC=CC=C23)=NC2=CC=CC=C12	1
O=C1NC(CCCN2CCC3=C(C2)NC2=CC=CC=C23)=NC2=CC=CC=C12	0
O=C1NC2=NC=CC=C2C2=CC=CC=C12	0
NC(=O)C1=CC=CC2=CN(C3=CC=C4C[NH2+]CCC4=C3)N=C21	1
CC1=[NH+]C2CCSCC2C(=O)N1	1
CC1=NC2CCSCC2C(=O)N1	0
NC(=O)C1=C2NC(C3=CC=C(C4CCCC[NH2+]4)C=C3)=NC2=CC(F)=C1	1
NC(=O)C1=C2N=C(C3=CC=C(C4CCCC[NH2+]4)C=C3)NC2=CC(F)=C1	1
O=C1NC(C2=C[C@@H]([N@@H+]3CC=C(C4=CC=CC=C4)CC3)CC2)=NC2=C1C=CC=C2Cl	1
O=C1NC(C2=C[C@@H]([N@H+]3CC=C(C4=CC=CC=C4)CC3)CC2)=NC2=C1C=CC=C2Cl	1
O=C(C[NH+]1CCCCC1)NC1=CC=C2NC(=O)C3=CC=CC=C3C2=N1	1
O=C(CN1CCCCC1)NC1=CC=C2NC(=O)C3=CC=CC=C3C2=N1	0