Index	SMILES	Probability	Label
Compound_1	COc1nc(Nc2ccc(c(c2)S(=O)(=O)[O-])/C=C/c2ccc(cc2S(=O)(=O)[O-])Nc2nc(OC)nc(n2)Nc2ccccc2)nc(n1)Nc1ccccc1	0.97	1.0