pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.6399998664856	QSARToolbox	0	-1	CC(C)(SC(C)(C)C(=O)O)C(=O)O	CC(C)(SC(C)(C)C(=O)O)C(=O)[O-]	mol35050	CC(C)(SC(C)(C)C(=O)O)C(=O)O
3.59999990463257	QSARToolbox	-1	-2	CC(C)(SC(C)(C)C(=O)O)C(=O)[O-]	CC(C)(SC(C)(C)C(=O)[O-])C(=O)[O-]	mol35050	CC(C)(SC(C)(C)C(=O)O)C(=O)O