Index SMILES Probability Label Compound_1 [O-]S(=O)(=O)c1cc(ccc1/C=C/c1ccc(cc1S(=O)(=O)[O-])Nc1nc(Nc2ccc(cc2)S(=O)(=O)[O-])nc(n1)N1CCOCC1)Nc1nc(Nc2ccc(cc2)S(=O)(=O)[O-])nc(n1)N1CCOCC1 0.25 0.0