Index	SMILES	Probability	Label
Compound_1	Nc1ccc2c(c1)nc1c(c2)ccc(c1)N	0.47	0.0
Compound_2	OCCN(c1nc(Nc2ccc(c(c2)S(=O)(=O)[O-])/C=C/c2ccc(cc2S(=O)(=O)[O-])Nc2nc(Nc3ccc(cc3)S(=O)(=O)[O-])nc(n2)N(CCO)CCO)nc(n1)Nc1ccc(cc1)S(=O)(=O)[O-])CCO	0.11	0.0
Compound_3	OC(c1ccc(cc1)Cl)/C=C/C(=O)[O-]	0.79	1.0
Compound_4	Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O	0.97	1.0
Compound_5	[O-]C(=O)Cc1cccc(c1N)C(=O)c1ccc(cc1)Br	0.26	0.0
Compound_6	Nc1cc(cc2c1c(O)cc(c2)S(=O)(=O)[O-])S(=O)(=O)O	0.98	1.0
Compound_7	COc1cc2c(cc1OC)CC[N+]([C@@H]2Cc1cc(OC)c(c(c1)OC)OC)(C)CCCOC(=O)CC/C=C/CCC(=O)OCCC[N+]1(C)CCc2c([C@H]1Cc1cc(OC)c(c(c1)OC)OC)cc(c(c2)OC)OC	0.03	0.0