CN1N=C(N)C2=C(C=NC=C12)C1=CC=C(NC(=O)NC2=CC(C)=CC=C2)C=C1	0
COC1=C(N2CC[NH+](C)CC2)C=C2[NH+]=CC(C(N)=O)=C(NC3=CC=C(F)C=C3F)C2=C1	2
O=C(NC1=CC=C(Cl)C(C(=O)NC2=CC=CN=C2)=C1)C1=CC=C(Cl)C(Cl)=C1	0
CN1C=C(C=N1)C1=CN=C(N)C(NCC2=C(Cl)C=CC=C2Cl)=N1	0
CC1=CC=CC(NC(=O)NC2=CC=C(C3=CSC4=NC=NC(N)=C34)C=C2)=C1	0
N#CC1=CC=C(C(=O)NC2=CC(N3CCCCC3)=CC=C2N2CCCCC2)O1	0
N1N=C(C2=C1C1=CC=CC=C1O2)C1=CC=CC=C1	0
CC1=CC=C(C(=O)NC2=CC=CC(C(F)(F)F)=C2)C=C1NC(=O)C1=CC=CN=C1	0
N#CC1=CNC(C(=O)NC2=CC=C(C3=CC=CC=N3)C=C2C2=CCCCC2)=N1	0
COC1=C(OC)C=C2C(=C1)N=CN=C2N(C)C1=CC=CC(C)=C1	0
CC1=NOC(C2=C(C3=CCCCCC3)C3=CC(Cl)=CC=C3NC2=O)=C1	0
O=C(NC1=CC=CC=C1N1CCCCC1)C1=CC=NO1	0
NC(=O)C1=CN=C2C=C(C3=CC=NC=C3)C=CC2=C1NC1=C2C=NNC2=CC=C1	0
NC(=O)C1=CN=C2C=C(C3=CC=C(C(=O)C4CC4)C=C3)C=CC2=C1NC1=CC=CC=C1	0
N#CC1=CNC(C(=O)NC2=CC=CC=C2N2CCCCC2)=C1	0
NC1=C2C(C3=CC=C(F)C(Cl)=C3)=CSC2=C(C2=CC=CN=C2)C=N1	0
N#CC1=CC=C(C(=O)NC2=CC=C(N3CCCCC3)C=C2N2CCCCC2)O1	0
CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1NC(=O)C1=CC=CN=C1	0
CCCCNC1=NC=C2C(=O)C(C(=O)[N-]OC)=CN(C3=CC=C4CCCC4=C3)C2=N1	-1
NC(=O)C1=CN=C2C=C(C3=CC=NC=C3)C=CC2=C1NC1=CC=CC=C1	0
COC1=C(OCCC[NH+]2CCCCC2)C=C2N=CN=C(N3CCN(C(=O)NC4=CC=C(OC(C)C)C=C4)CC3)C2=C1	1
CO[N-]C(=O)C1=CN(C2=CC=C3CCCC3=C2)C2=NC(NC3=CC=C(OC)N=C3)=NC=C2C1=O	-1
CC1=NOC(=C1)C1=C(C2=CCCCC2)C2=CC(Cl)=CC=C2NC1=O	0
CC1=CC(C(=O)NC2=CC=C(Cl)C(C(=O)NC3=CN=CS3)=C2)=CC(C)=C1	0
N#CC1=C[N-]C(C(=O)NC2=CC=C(C3=CC=CC=N3)C=C2C2=CCCCC2)=N1	-1
NC(=O)C1=CN=C2C=C(C3=CC=NC=C3)C=CC2=C1NC1=CC=CC2=NNC=C21	0
N#CC1=CN=C(C(=O)NC2=CC=C(C3=CC=CC=N3)C=C2C2=CCCCC2)[N-]1	-1
N#CC1=CNC(C(=O)NC2=CC=C(C3CC[NH2+]CC3)C=C2C2=CCCC2)=N1	1
N#CC1=CN=C(C(=O)NC2=CC=C(C3CC[NH2+]CC3)C=C2C2=CCCC2)[N-]1	0
N#CC1=C[N-]C(C(=O)NC2=CC=C(C3CC[NH2+]CC3)C=C2C2=CCCC2)=N1	0
CC1=CC=C(C=C1C1=CC=C2C=CN=CC2=C1)C(=O)NC1CC1	0
CC1=CC(C(=O)NC2=CC([C@H](C)NC3=CN=CC(Cl)=N3)=CC=C2)=CC=N1	0
CO[N-]C(=O)C1=CN(C2=CC=C3CCCC3=C2)C2=NC(NCC3=CC=CC=C3)=NC=C2C1=O	-1
CCOC(=O)C1=NC2=CN=C(NC3=CC=CC=C3)N=C2N(C2=CC=CC=C2)C1=O	0
CC1=NOC(C2=C(C3=CC=CC=C3)C3=CC(Cl)=NC=C3NC2=O)=C1	0
ClC1=CC=C2NC(=O)C(C3=CC=CN3)=C(C3=CC=CC=C3)C2=C1	0
CC1(C)CNC2=CC(NC(=O)C3=CC=CN=C3NCC3=CC=NC=C3)=CC=C12	0
CC1=CC(N(C)C2=NC=NC3=NNC=C32)=CC=C1	0
C[NH+]1CCN(C2=CC=C3NC(C4=C(N)C5=C(F)C=CC=C5NC4=O)=NC3=C2)CC1	1
C[NH+]1CCN(C2=CC=C3N=C(C4=C(N)C5=C(F)C=CC=C5NC4=O)NC3=C2)CC1	1
CN1CCN(C2=CC=C3NC(C4=C(N)C5=C(F)C=CC=C5NC4=O)=NC3=C2)CC1	0
CC(C)(C)C1=CC(NC(=O)NC2=CC=C(NC(=O)C3=NC=CC=C3[O-])C=C2)=NO1	-1
CC(C)(C)C1=CC(NC(=O)NC2=CC=C(NC(=O)C3=NC=CC=C3O)C=C2)=NO1	0
CC1=NOC(=C1)C1=C(C2CCCCC2)C2=CC(Cl)=CC=C2NC1=O	0
C[C@H](NC1=CN=CC(Cl)=N1)C1=CC=CC(NC(=O)C2=CC=CC(C)=C2)=C1	0
CC1=CC=CC(C)=C1/C=C/N1C=NC2=C(NC3=CC=C(P(C)(C)=O)C=C3)N=CN=C21	0
COC1=C(OC)C=C2C(=C1)N=CC=C2OC1=CC=C2C(=C1)C=CC=C2C(=O)NC1=CC=C(Cl)C=C1	0
N#CC1=CC=C(C(=O)NC2=CC=C(N3C=CN=C3)C=C2N2CCCCC2)O1	0
CN1C=NC(=C1)C1=C(C2=CC=CC=C2)C2=CC(=CC=C2NC1=O)C#N	0
NC(=O)C1=CN=C2C=C(C=CC2=C1NC1=NNC2=CC=CC=C12)C1=CC=NC=C1	0
CC1=CN(C2=CC=C(NC(=O)C3=CC=C(C#N)O3)C(N3CCCCC3)=C2)N=C1	0
CC1=CC=C(F)C(NC(=O)NC2=CC=C(C3=C4C(N)=NNC4=CC=C3)C=C2)=C1	0
CN1CCN(CC1)C1=CC=CC=C1NC(=O)C1=CC=C(O1)N(=O)=O	0
C[NH+]1CCN(CC1)C1=CC=CC=C1NC(=O)C1=CC=C(O1)N(=O)=O	1
C[C@H](NC1=CN=CC(Br)=C1)C1=CC=CC(NC(=O)C2=CN=CC(C)=C2)=C1	0
FC(F)(F)C1=CC=CC(NC(=O)C2=CC=CC=C2NCC2=CC=NC=C2)=C1	0
CC(C)(C)C1=CC(NC(=O)NC2=CC=C(NC(=O)C3=NC=C4C=CC=CC4=C3)C=C2)=NO1	0
O=C(NC1=CC=C(C=C1C1=CCCCC1)C1=CC=CN=C1)C1=NC(=CN1)C#N	0
O=C(NC1=CC=C(C=C1C1=CCCCC1)C1=CC=CN=C1)C1=NC=C([N-]1)C#N	-1
O=C(NC1=CC=C(C=C1C1=CCCCC1)C1=CC=CN=C1)C1=NC(=C[N-]1)C#N	-1
ClC1=CC=C(NC2=C3C=CC=CC3=C(CC3=CC=NC=C3)N=N2)C=C1	0
O=C(NC1=CC=CC=C1N1C=CC=CC=C1)C1=CC=C(O1)N(=O)=O	0
N#CC1=C[N-]C(C(=O)NC2=CC=C(C3=CC=NC=C3)C=C2C2=CCCCC2)=N1	-1
N#CC1=CNC(C(=O)NC2=CC=C(C3=CC=NC=C3)C=C2C2=CCCCC2)=N1	0
N#CC1=CN=C(C(=O)NC2=CC=C(C3=CC=NC=C3)C=C2C2=CCCCC2)[N-]1	-1
COC1=CC=C(COC2=CC=C(CC3=CN=C(N)N=C3N)C=C2OC)C=C1	0
COC1=CC=C(COC2=CC=C(CC3=C[NH+]=C(N)N=C3N)C=C2OC)C=C1	1
CC1=CC(C2=C(C3=CC=CC=C3)C3=CC(Cl)=CC=C3NC2=O)=NN1	0
COC1=C2ON=C(N)C2=C(C2=CC=C(NC(=O)NC3=CC(C)=CC=C3F)C=C2)C=C1	0
CCC1=CC=C(C=C1)C1=C(C2=CNC(C)=N2)C(=O)NC2=CC=C(Cl)C=C12	0