pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.52	OCHEM	0	-1	CC(C)S(=O)(=O)[C@@H](C)C(=O)O	CC(C)S(=O)(=O)[C@@H](C)C(=O)[O-]	mol22400	CC(C)S(=O)(=O)C(C)C(=O)O
2.51999998092651	QSARToolbox	0	-1	CC(C)S(=O)(=O)[C@@H](C)C(=O)O	CC(C)S(=O)(=O)[C@@H](C)C(=O)[O-]	mol22400	CC(C)S(=O)(=O)C(C)C(=O)O
2.59999990463257	QSARToolbox	0	-1	CC(C)S(=O)(=O)[C@@H](C)C(=O)O	CC(C)S(=O)(=O)[C@@H](C)C(=O)[O-]	mol22400	CC(C)S(=O)(=O)C(C)C(=O)O