pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.67	IUPAC digitized pKa	0	-1	CCC(CC)(CC(=O)O)CC(=O)O	CCC(CC)(CC(=O)[O-])CC(=O)O	mol10927	CCC(CC)(CC(=O)O)CC(=O)O
3.61999988555908	QSARToolbox	0	-1	CCC(CC)(CC(=O)O)CC(=O)O	CCC(CC)(CC(=O)[O-])CC(=O)O	mol10927	CCC(CC)(CC(=O)O)CC(=O)O
3.48000001907349	QSARToolbox	0	-1	CCC(CC)(CC(=O)O)CC(=O)O	CCC(CC)(CC(=O)[O-])CC(=O)O	mol10927	CCC(CC)(CC(=O)O)CC(=O)O
3.57	AttenGpKa training set	0	-1	CCC(CC)(CC(=O)O)CC(=O)O	CCC(CC)(CC(=O)[O-])CC(=O)O	mol10927	CCC(CC)(CC(=O)O)CC(=O)O
7.42	IUPAC digitized pKa	-1	-2	CCC(CC)(CC(=O)[O-])CC(=O)O	CCC(CC)(CC(=O)[O-])CC(=O)[O-]	mol10927	CCC(CC)(CC(=O)O)CC(=O)O
3.85	OCHEM	-1	-2	CCC(CC)(CC(=O)[O-])CC(=O)O	CCC(CC)(CC(=O)[O-])CC(=O)[O-]	mol10927	CCC(CC)(CC(=O)O)CC(=O)O
7.11999988555908	QSARToolbox	-1	-2	CCC(CC)(CC(=O)[O-])CC(=O)O	CCC(CC)(CC(=O)[O-])CC(=O)[O-]	mol10927	CCC(CC)(CC(=O)O)CC(=O)O
7.27	AttenGpKa training set	-1	-2	CCC(CC)(CC(=O)[O-])CC(=O)O	CCC(CC)(CC(=O)[O-])CC(=O)[O-]	mol10927	CCC(CC)(CC(=O)O)CC(=O)O