pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.69999980926514	QSARToolbox	-1	-2	CSCC[C@H](NC(=O)CNS(=O)(=O)c1ccccc1)C(=O)[O-]	CSCC[C@H](NC(=O)C[N-]S(=O)(=O)c1ccccc1)C(=O)[O-],CSCC[C@H]([N-]C(=O)CNS(=O)(=O)c1ccccc1)C(=O)[O-]	mol35087	CSCCC(NC(=O)CNS(=O)(=O)c1ccccc1)C(=O)O