COC1=CC(NC2=NN3C(C4=CC=CC=C4)=NC(C)=C3C=N2)=CC(OC)=C1OC	0
CC(NC1=NC=C(C#N)C(N2CCC3=CC=CC=C3C2)=N1)C1=CC=CC=C1	0
COC1=CC=C(NC2=NC=C3CC(=O)NC4=CC(OC)=CC=C4C3=N2)C=C1	0
COC[C@H]1OC(=O)C2=COC3=C2[C@@]1(C)C1=C(C3=O)[C@@H]2CCC(=O)[C@@]2(C)C[C@H]1OC(C)=O	0
CCN1C(=O)/C(=C\NC2=CC=CC=C2)S/C1=C(\C#N)C(=O)N1CCCC1	0
CC1=CC=CC=C1NC1=NC=C2CCC3=C(C2=N1)N(C)N=C3C(N)=O	0
COC1=C(OC)C=C2N(C=NC2=C1)C1=CC(OCC2=CC=CO2)=C(S1)C(N)=O	0
NC1=NC=CC(=N1)C1=CC2=C(N1)[C@@H](CCF)CNC2=O	0
C[C@H](NC1=NC=C2C(C)=NN(C2=C1)C1=CC(Cl)=CC(CCC([O-])=O)=C1)C1=CC=CC=C1	-1
COC1=C(OC)C=C2C(=C1)N=CN2C1=CC(OCC2=CC=CS2)=C(C(N)=O)S1	0
COC1=C(OC)C=C2C(=C1)N=CN2C1=CC(OCC2=CC=CC=C2C(F)(F)F)=C(C2=N[N-]N=N2)S1	-1
C[C@@H](NC1=NC=C2ON=C(C3=CC=C4OCOC4=C3)C2=C1)C1=CC=CC=C1	0
COC1=C(OC)C=C2C(=C1)N=CN2C1=CC(OCC2=CSC=C2)=C(C(N)=O)S1	0
C[C@@H](NC1=NC=C2ON=C(C3=CC(Cl)=CC(CCCO)=C3)C2=C1)C1=CC=CC=C1	0
COC1=C(OC)C=C2N(C=NC2=C1)C1=CC(OCC2CCCC2)=C(S1)C(N)=O	0
CN1N=C(C(N)=O)C2=C1C1=NC(NC3=CC=CC=C3OC3=CC=CC=C3)=NC=C1CC2	0
COC1=CC=CC(NC2=NC(NC(C)C3=CC=CC=C3)=NC=C2C#N)=C1	0
CCOC(=O)/C(C#N)=C1/S/C(=C/NC2=CC=CC(C)=C2)C(=O)N1CC	0
COC1=C(OC)C=C2C(=C1)N=CN2C1=CC(OCCC2=CC=CC=C2)=C(C(N)=O)S1	0
COC1=CC=C2C(=C1)NC(=O)CC1=CN=C(NC3=CC=C(OC)C(O)=C3)N=C12	0
COC1=C(OC)C=C2C(=C1)N=CN2C1=CC(OCC2=CC=NC=C2)=C(C(N)=O)S1	0
COC1=C(OC)C=C2C(=C1)N=CN2C1=CC(OCC2CCCCC2)=C(C(N)=O)S1	0
CN1N=C(C(N)=O)C2=C1C1=NC(NC3=CC=CC=C3CC3=CC=CC=C3)=NC=C1CC2	0
NC(=O)C1=N(=O)C2=CC(=CC(=C2S1)N(=O)=O)C(F)(F)F	0
CC1=CSC=C1C1=NOC2=CN=C(N[C@H](C)C3=CC=CC=C3)C=C21	0
NC(=O)C1=C(OCC2=CC=CC=C2C(F)(F)F)C=C(C2=C3C=CC=CN3N=C2)S1	0
NC(=O)C1=NN(CC(F)(F)F)C2=C1CCC1=CN=C(NC3=CC=CC=C3)N=C21	0
C[C@@H](NC1=NC=C2ON=C(C3=CC(Cl)=CC(CCC(N)=O)=C3)C2=C1)C1=CC=CC=C1	0
C[C@H](OC1=C(C(N)=O)SC(C2=CN=C3C=CC=CN23)=C1)C1=CC=C(CO)C=C1Cl	0
COC1=C(OC)C=C2C(=C1)N=CN2C1=CC(OCC2=COC=C2)=C(C(N)=O)S1	0
C[C@H](OC1=C(C(N)=O)SC(C2=CN=C3C=CC=CN23)=C1)C1=CC=CC=C1Cl	0
O=C1NCCC2=C1C=C(C1=CC=NC=C1)N2	0
CN1N=C(C(N)=O)C2=C1C1=NC(NC3=CC=CC=C3NC3=CC=CC=C3)=NC=C1CC2	0
NC(=O)C1=N(=O)C2=CC(SC(F)(F)F)=CC(=C2S1)N(=O)=O	0
NC(=O)C1=NN(C2CCCCC2)C2=C1CCC1=CN=C(NC3=CC=CC=C3)N=C21	0
FC(F)(F)C1=CC=C(NC2=NC(NCC3=CC=CN=C3)=NC=C2C2=NNN=N2)C=C1	0
CCCOC(=O)/C(C#N)=C1\S/C(=C/NC2=CC=C(O)C=C2)C(=O)N1CC	0
CCN1C(=O)C(CNC2=CC=C(C=C2)C(C)=O)S\C1=C(/C#N)C(=O)OCC=C	0
CC(C)(C)C1=CC=C(NC2=NC(NCC3=CC=CN=C3)=NC=C2C2=NNN=N2)C=C1	0
CN1C=NC=C1C1=CC(OCC2=CC=CC=C2C(F)(F)F)=C(C(N)=O)S1	0
COC1=CC=C2N=CN(C3=CC(O[C@@H](C)C4=CC=CC=C4Cl)=C(C(N)=O)S3)C2=C1	0
CCCN(CC1CC1)C1=NC(NC(C)C2=CC=CC=C2)=NC=C1C#N	0
NC(=O)C1=CC=CC=C1NC1=CC=NC(NC2=CC=CC(O)=C2)=N1	0