pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.77	IUPAC digitized pKa	0	-1	CC(C)(C(=O)O)C(=O)C(=O)O	CC(C)(C(=O)O)C(=O)C(=O)[O-],CC(C)(C(=O)[O-])C(=O)C(=O)O	mol9567	CC(C)(C(=O)O)C(=O)C(=O)O
1.76999998092651	QSARToolbox	0	-1	CC(C)(C(=O)O)C(=O)C(=O)O	CC(C)(C(=O)O)C(=O)C(=O)[O-],CC(C)(C(=O)[O-])C(=O)C(=O)O	mol9567	CC(C)(C(=O)O)C(=O)C(=O)O
4.62	IUPAC digitized pKa	-1	-2	CC(C)(C(=O)O)C(=O)C(=O)[O-],CC(C)(C(=O)[O-])C(=O)C(=O)O	CC(C)(C(=O)[O-])C(=O)C(=O)[O-]	mol9567	CC(C)(C(=O)O)C(=O)C(=O)O
4.61999988555908	QSARToolbox	-1	-2	CC(C)(C(=O)O)C(=O)C(=O)[O-],CC(C)(C(=O)[O-])C(=O)C(=O)O	CC(C)(C(=O)[O-])C(=O)C(=O)[O-]	mol9567	CC(C)(C(=O)O)C(=O)C(=O)O