O=C1NC(NC2=CC=CC=C2)=NC2=C1N=CN2CCCCO	0
O=C1NC(NC2=CC=CC=C2)=NC2=C1N=CN2CCCC[N@@H+]1CCCC2CCCCC21	1
O=C1NC(NC2=CC=CC=C2)=NC2=C1N=CN2CCCC[N@H+]1CCCC2CCCCC21	1
CCC1=CN([C@H]2C[C@H](O)[C@@H](CNC(=O)CC3=C(C)C=CC=C3C)O2)C(=O)NC1=O	0
CCC1=CN([C@@H]2O[C@H](CNC(=O)C3C4=CC=CC=C4SC4=C3C=CC=C4Cl)[C@@H](O)[C@@H]2F)C(=O)NC1=O	0
O=C1NC(NC2=CC(Cl)=CC=C2)=NC2=C1N=CN2	0
CCC1=CN([C@H]2C[C@H](O)[C@@H](CNC(=O)C3C4=CC=CC=C4SC4=C3C=CC=C4)O2)C(=O)NC1=O	0
CCC1=CN([C@H]2C[C@H](O)[C@@H](CNC(=O)C3C4=CC=CC=C4S(=O)(=O)C4=C3C=CC=C4)O2)C(=O)NC1=O	0
O=C1NC(NC2=CC=CC=C2)=NC2=C1N=CN2CCCC[N@H+]1CCCCC1C1=CC=CC=C1	1
CCC1=CN([C@@H]2O[C@H](CNC(=O)C3C4=CC=CC=C4OC4=C3C=CC=C4C)[C@@H](O)[C@@H]2F)C(=O)NC1=O	0
CCC1=CN([C@@H]2O[C@H](CNC(=O)C3C4=CC=CC(C)=C4OC4=C3C=CC=C4C)[C@@H](O)[C@@H]2F)C(=O)NC1=O	0
O=C1NC(SC2=CC=CC=C2)=NC2=C1N=CN2CCCCO	0
CCC1=CN([C@@H]2O[C@H](CNC(=O)C3C4=CC=CC=C4S(=O)(=O)C4=C3C=CC=C4Cl)[C@@H](O)[C@@H]2F)C(=O)NC1=O	0
CCC1=CN([C@H]2C[C@H](O)[C@@H](CNC(=O)CC3=CC=CC=C3F)O2)C(=O)NC1=O	0
O=C1NC(NC2=CC=CC=C2)=NC2=C1N=CN2CCCC[N@H+]1CCCCC1CCO	1
O=C1NC(NC2=CC=CC(CC(F)(F)F)=C2)=NC2=C1N=CN2	0
CCC1=CN([C@@H]2O[C@H](CNC(=O)C3C4=CC=CC=C4OC4=C3C=CC=C4Cl)[C@@H](O)[C@@H]2F)C(=O)NC1=O	0
O=C1NC(=O)N([C@@H]2C[C@@H](O)[C@H](CO)C2)C=C1C=CBr	0
CCC1=CN([C@@H]2O[C@H](CNC(=O)[C@H](C)OC3=CC(OC)=C(Cl)C=C3Cl)[C@@H](O)[C@@H]2F)C(=O)NC1=O	0
CCC1=CN([C@@H]2O[C@H](CNC(=O)C3C4=CC=CC=C4C(C)(C)C4=C3C=CC=C4)[C@@H](O)[C@@H]2F)C(=O)NC1=O	0
CCC1=CN([C@@H]2O[C@H](CNC(=O)C3C4=CC=CC=C4OC4=C3C=CC=C4)[C@@H](O)[C@@H]2F)C(=O)NC1=O	0
CCC1=CN([C@@H]2O[C@H](CNC(=O)C3C4=CC=CC=C4OC4=C3C=CC=C4C3=CC=CC=C3)[C@@H](O)[C@@H]2F)C(=O)NC1=O	0
CCC1=CN([C@@H]2O[C@H](CNC(=O)C3C4=CC=CC=C4SC4=C3C=CC=C4)[C@@H](O)[C@@H]2F)C(=O)NC1=O	0
CCC1=CN([C@H]2C[C@H](O)[C@@H](CNC(=O)C3C4=CC=CC=C4OC4=C3C=CC=C4)O2)C(=O)NC1=O	0
CCC1=CN([C@H]2C[C@H](O)[C@@H](CNC(=O)C3C4=CC=CC=C4C4=C3C=CC=C4)O2)C(=O)NC1=O	0
CCC1=CN([C@H]2C[C@H](O)[C@@H](CNC(=O)CC3=CC=CC=C3C3=CC=CC=C3)O2)C(=O)NC1=O	0
O=C1NC(NC2=CC=C(Br)C=C2)=NC2=C1N=CN2	0
CC1=CN(CC2=CC=CC=C2COC(C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C(=O)NC1=O	0
O=C1NC(NC2=CC=CC=C2)=NC2=C1N=CN2CCCC[N@@H+]1CCCCC1C1=CC=CC=C1	1
CCC1=CN([C@H]2C[C@H](O)[C@@H](CNC(=O)CC3=C(Cl)C=CC=C3Cl)O2)C(=O)NC1=O	0
O=C1NC(=O)N(C2CC(O)C(CO)O2)C=C1I	0
CC1=CN(C/C=C/COC(C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C(=O)NC1=O	0
CCC1=CN([C@H]2C[C@H](O)[C@@H](CNC(=O)CC3=CC=CC=C3C)O2)C(=O)NC1=O	0
O=C1[N-]C(SC2=CC=CC=C2)=NC2=C1N=CN2CCCCO	-1
CC1=CN(C2CC(O)C(CO)O2)C(=O)NC1=O	0
CC1=CN(C/C=C\COC(C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C(=O)NC1=O	0
O=C1NC(NC2=CC=CC(C(Cl)C(F)(F)Cl)=C2)=NC2=C1N=CN2	0
CCC1=CN([C@@H]2O[C@H](CNC(=O)C3C4=CC=CC=C4S(=O)(=O)C4=C3C=CC=C4)[C@@H](O)[C@@H]2F)C(=O)NC1=O	0
CCC1=CN([C@H]2C[C@H](O)[C@@H](CNC(=O)C3C4=CC=CC=C4CC4=C3C=CC=C4)O2)C(=O)NC1=O	0
C=CCN1C=NC2=C1N=C(NC1=CC=CC=C1)NC2=O	0
CC1=CN(C2OC(CO)[C@H](O)C2F)C(=O)NC1=O	0
O=C1NC(OC2=CC=CC=C2)=NC2=C1N=CN2CCCCO	0
O=C1[N-]C(OC2=CC=CC=C2)=NC2=C1N=CN2CCCCO	-1
CCC1=CN([C@H]2C[C@H](O)[C@@H](CNC(=O)CC3=CC=CC=C3C(F)(F)F)O2)C(=O)NC1=O	0
CCC1=CN([C@@H]2O[C@H](CNC(=O)C3C4=CC=CC=C4OC4=C3C=CC=C4C(F)(F)F)[C@@H](O)[C@@H]2F)C(=O)NC1=O	0
N#CC1(C2=CC=CC=C2)CC[NH+](CCCCN2C=NC3=C2N=C(NC2=CC=CC=C2)NC3=O)CC1	1
O=C1NC(NC2=CC=CC=C2)=NC2=C1N=CN2CCCC[N@@H+]1CCCCC1CCO	1
CCC1=CN([C@@H]2O[C@H](CNC(=O)C3C4=CC=CC=C4OC4=C3C=CC=C4OC)[C@@H](O)[C@@H]2F)C(=O)NC1=O	0
O=C1NC(=O)N(C2OC(CO)[C@H](O)C2F)C=C1I	0
CCC1=CN([C@H]2C[C@H](O)[C@@H](CNC(=O)CC3=CC=CC=C3Cl)O2)C(=O)NC1=O	0
CCC1=CN(C2OC(CO)[C@H](O)C2F)C(=O)NC1=O	0
CCC1=CN([C@@H]2O[C@H](CNC(=O)C3C4=CC=CC(Cl)=C4OC4=C3C=CC=C4Cl)[C@@H](O)[C@@H]2F)C(=O)NC1=O	0
O=C1NC(NC2=CC=CC=C2)=NC2=C1N=CN2C1CC(O)C(CO)O1	0
CCC1=CN([C@H]2C[C@H](O)[C@@H](CNC(=O)C3C4=CC=CC=C4CCC4=C3C=CC=C4)O2)C(=O)NC1=O	0
O=C1NC(=O)N(C2CC(O)C(CO)C2)C=C1I	0
CNC(=O)C1=CC=C(C(OCCCCCCN2C=C(C)C(=O)NC2=O)(C2=CC=CC=C2)C2=CC=CC=C2)C=C1	0
O=C1NC(NC2=CC=CC=C2)=NC2=C1N=CN2CCCCN1CCCC2=C1C=CC=C2	0
COCCN1C=NC2=C1N=C(NC1=CC=CC=C1)NC2=O	0
O=C1NC(=O)N(C2CC(O)C(CO)O2)C=C1C=CBr	0
O=C1NC(NC2=CC=CC(C(F)(F)F)=C2)=NC2=C1N=CN2	0
CCC1=CN([C@H]2C[C@H](O)[C@@H](CNC(=O)CC3=CC=CC=C3OC)O2)C(=O)NC1=O	0
CCC1=CN([C@H]2C[C@H](O)[C@@H](CNC(=O)C3C4=CC=CC=C4N(C)C4=C3C=CC=C4)O2)C(=O)NC1=O	0