Index	SMILES	Probability	Label
Compound_1	CCN(c1nc(Nc2ccc(c(c2)S(=O)(=O)O)/C=C/c2ccc(cc2S(=O)(=O)O)Nc2nc(nc(n2)N(CC)CC)Nc2cc(ccc2S(=O)(=O)O)S(=O)(=O)O)nc(n1)Nc1cc(ccc1S(=O)(=O)O)S(=O)(=O)O)CC	0.36	0.0