pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.73999977111816	QSARToolbox	-1	-2	C[C@@H](NC(=O)CNS(=O)(=O)c1ccccc1)C(=O)[O-]	C[C@@H](NC(=O)C[N-]S(=O)(=O)c1ccccc1)C(=O)[O-],C[C@@H]([N-]C(=O)CNS(=O)(=O)c1ccccc1)C(=O)[O-]	mol34800	CC(NC(=O)CNS(=O)(=O)c1ccccc1)C(=O)O