O=C(NC1=CC(C(F)(F)F)=CC=C1)C1=CC=CC=C1NCC1=CC=NC=C1	0
CNC1=NC=CC(CNC2=CC=CC=C2C(=O)NC2=CC=C3OC(F)(F)OC3=C2)=N1	0
CC1=CC=C(C(=O)NC2=CC=CC(C(F)(F)F)=C2)C=C1NC(=O)C1=CN=CN=C1	0
NC1=NNC2=CC=CC(C3=CC=C(NC(=O)NC4=CSC=C4)C=C3)=C12	0
NC1=NNC2=CC=CC(C3=CC=C(NC(=O)C4CCCCC4)C=C3)=C12	0
CC1=CC=C(C(=O)NCCCC2CCCCC2)C=C1C(=O)NC1=CC=C(N)N=C1	0
COC1=CC=C(NC(=O)NC2=CC=C3C(=C2)NC(=O)/C3=C\C2=CC=CN2)C=C1	0
CCC1=CC=C(C2=C(C3=CNC(C)=N3)C(=O)NC3=CC=C(Cl)C=C32)C=C1	0
C1=CN(CC2=CC=C3CC4=C(C5=CSC=C5)NN=C4C3=C2)C=N1	0
C1=CN(CC2=CC=C3CC4=C(NN=C4C4=CSC=C4)C3=C2)C=N1	0
CC1=CC=C(F)C(NC(=O)NC2=CC=C(C3=NSC4=NC=NC(N)=C34)C=C2)=C1	0
CC1CCN(C2=CC(N3CC[NH+](C)CC3)=CC=C2NC(=O)C2=CC(C#N)=CN2)CC1	1
CC1CCN(C2=CC(N3CCN(C)CC3)=CC=C2NC(=O)C2=CC(C#N)=CN2)CC1	0
C[NH+]1CCN(CC2=CC=C3CC4=C(NN=C4C4=CSC=C4)C3=C2)CC1	1
CC1=CC=C(C(=O)NCCC2CCCCC2)C=C1C(=O)NC1=CC=C(N)N=C1	0
O=C(NC1CC1)C1=C(F)C=C(F)C(NCC2=CN=C(NC3=CC=CC=N3)S2)=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
NC1=NC(NC2=CC=C(S(N)(=O)=O)C=C2)=NN1C(=O)C1=C(F)C=CC=C1F	0
CC1=C(C2=CC=C3N=C(N)N=CC3=C2)C(=O)N(CCC2CCCC2)C=C1	0
NC1=NNC2=CC=CC(C3=CC=C(NC(=O)NC4CCCC4)C=C3)=C12	0
COC1=C(OC)C=C2C(=C1)N=CC=C2OC1=CC=C(NC(=O)NC2CCCCC2)C=C1	0
CC1(C)CNC2=CC(NC(=O)C3=CC=CN=C3NCC3=CC=NC=C3)=CC=C21	0
CC1=CC=C(NC(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1C(=O)NC1=CN=CN=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=CC(C(=O)NC2=CC([C@H](C)NC3=CN=CC(Cl)=N3)=CC=C2)=CC=C1	0
CC1=CC=C(C(=O)NC2CC2)C=C1C1=CC2=CN=NC(OC(C)C)=C2C=C1	0
O=C(C1=CC2=CC(O)=CC=C2N1)C1=CC2=CC(O)=CC=C2N1	0
CC1=C(C2=CC=C3N=C(N)N=CC3=C2)C(=O)N(C2=CC=C(C(C)(C)C)C=C2)C=C1	0
COC1=C(OC)C=C2C(=C1)N=CC=C2OC1=CC=C(NC(=O)OC2=CC=CC=C2)C=C1	0
CC1=CC=CC(NC(=O)NC2=CC=C(C3=CSC4=NC=NC(N)=C34)C=C2)=C1	0
NC(=O)C1=CC=C(NC2=NNC(C3=CC=C(F)C=C3)=C2)C=C1	0
C1=CC=C(C2=NNC3=C2OC2=CC=CC=C23)C=C1	0
COC1=C(OC)C=C2C(=C1)N=CN=C2OC1=CC=C(NC(=O)NC2CCCCC2)C=C1	0
CC1=CC=CC(NC(=O)NC2=CC=C(C3=C4C(N)=NN(C)C4=CN=C3)C=C2)=C1	0
CC1=CC=C(F)C(NC(=O)NC2=CC=C(C3=C4C(N)=NSC4=CC=C3)C=C2)=C1	0
CC[NH+](CC)CCCNC1=NC=CC2=C(C)C3=C(C=C12)C1=C(N=CC=C1)N3	1
CC1=CC=C(F)C(NC(=O)NC2=CC=C(C3=C4C(N)=NNC4=CC=C3)C=C2)=C1	0
CC1=CC=C(C(=O)NC2CC2)C=C1C1=CC2=CN=CC(OC(C)C)=C2C=C1	0
CC1=CC=C(C(=O)NC2CC2)C=C1C1=CC=C2C(=C1)C=NN=C2N1CCOCC1	0
CC(C)(C)C1=CC(NC(=O)NC2=CC=C(NC(=O)C3=NC=C4C=CC=CC4=C3)C=C2)=NO1	0
CC[NH+](CC)CCNC(=O)C1=C(C)NC(/C=C2\C(=O)NC3=CC=C(F)C=C32)=C1C	1
CC1=CC=C(C(=O)NCCC2CCCC2)C=C1C(=O)NC1=CC=C(N)N=C1	0
CC1=CC=C(C(=O)NC2=CC=CC(C(F)(F)F)=C2)C=C1C(=O)NC1=CN=C(N)N=C1	0
CC1=CC(NC2=NC(C=CC3=CC=CC=C3)=NC(N3CC[NH+](C)CC3)=C2)=NN1	1
CC1=CC(NC2=NC(C=CC3=CC=CC=C3)=NC(N3CCN(C)CC3)=C2)=NN1	0
CC1=C2C=CN=CC2=C(C)C2=C1NC1=C2C=C(O)C=C1	0
O=C(NC1=CC=C(C2=CC=CC=C2)C=C1)NC1=CC=C2C(=C1)NC(=O)/C2=C\C1=CC=CN1	0
CC1=C(C2=CC=C3N=C(N)N=CC3=C2)C(=O)N(C2=CC=C(N3C=CC=N3)C=C2)C=C1	0