pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.32	IUPAC digitized pKa	0	-1	CCCC(CC(=O)O)CC(=O)O	CCCC(CC(=O)[O-])CC(=O)O	mol10472	CCCC(CC(=O)O)CC(=O)O
4.30999994277954	QSARToolbox	0	-1	CCCC(CC(=O)O)CC(=O)O	CCCC(CC(=O)[O-])CC(=O)O	mol10472	CCCC(CC(=O)O)CC(=O)O
4.315	AttenGpKa training set	0	-1	CCCC(CC(=O)O)CC(=O)O	CCCC(CC(=O)[O-])CC(=O)O	mol10472	CCCC(CC(=O)O)CC(=O)O
5.46	IUPAC digitized pKa	-1	-2	CCCC(CC(=O)[O-])CC(=O)O	CCCC(CC(=O)[O-])CC(=O)[O-]	mol10472	CCCC(CC(=O)O)CC(=O)O
4.61	OCHEM	-1	-2	CCCC(CC(=O)[O-])CC(=O)O	CCCC(CC(=O)[O-])CC(=O)[O-]	mol10472	CCCC(CC(=O)O)CC(=O)O
5.3899998664856	QSARToolbox	-1	-2	CCCC(CC(=O)[O-])CC(=O)O	CCCC(CC(=O)[O-])CC(=O)[O-]	mol10472	CCCC(CC(=O)O)CC(=O)O
5.925	AttenGpKa training set	-1	-2	CCCC(CC(=O)[O-])CC(=O)O	CCCC(CC(=O)[O-])CC(=O)[O-]	mol10472	CCCC(CC(=O)O)CC(=O)O