pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.2	IUPAC digitized pKa	0	-1	CCC(C)(C(=O)O)C(=O)O	CCC(C)(C(=O)[O-])C(=O)O	mol9583	CCC(C)(C(=O)O)C(=O)O
3.0	OCHEM	0	-1	CCC(C)(C(=O)O)C(=O)O	CCC(C)(C(=O)[O-])C(=O)O	mol9583	CCC(C)(C(=O)O)C(=O)O
2.85999989509583	QSARToolbox	0	-1	CCC(C)(C(=O)O)C(=O)O	CCC(C)(C(=O)[O-])C(=O)O	mol9583	CCC(C)(C(=O)O)C(=O)O
2.20000004768372	QSARToolbox	0	-1	CCC(C)(C(=O)O)C(=O)O	CCC(C)(C(=O)[O-])C(=O)O	mol9583	CCC(C)(C(=O)O)C(=O)O
2.80999994277954	QSARToolbox	0	-1	CCC(C)(C(=O)O)C(=O)O	CCC(C)(C(=O)[O-])C(=O)O	mol9583	CCC(C)(C(=O)O)C(=O)O
2.86	AttenGpKa training set	0	-1	CCC(C)(C(=O)O)C(=O)O	CCC(C)(C(=O)[O-])C(=O)O	mol9583	CCC(C)(C(=O)O)C(=O)O
6.55	IUPAC digitized pKa	-1	-2	CCC(C)(C(=O)[O-])C(=O)O	CCC(C)(C(=O)[O-])C(=O)[O-]	mol9583	CCC(C)(C(=O)O)C(=O)O
6.1	OCHEM	-1	-2	CCC(C)(C(=O)[O-])C(=O)O	CCC(C)(C(=O)[O-])C(=O)[O-]	mol9583	CCC(C)(C(=O)O)C(=O)O
6.40999984741211	QSARToolbox	-1	-2	CCC(C)(C(=O)[O-])C(=O)O	CCC(C)(C(=O)[O-])C(=O)[O-]	mol9583	CCC(C)(C(=O)O)C(=O)O
6.41	AttenGpKa training set	-1	-2	CCC(C)(C(=O)[O-])C(=O)O	CCC(C)(C(=O)[O-])C(=O)[O-]	mol9583	CCC(C)(C(=O)O)C(=O)O