pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.63000011444092	QSARToolbox	0	-1	CCC(C)(CC(=O)O)CC(=O)O	CCC(C)(CC(=O)[O-])CC(=O)O	mol22566	CCC(C)(CC(=O)O)CC(=O)O
3.61999988555908	QSARToolbox	0	-1	CCC(C)(CC(=O)O)CC(=O)O	CCC(C)(CC(=O)[O-])CC(=O)O	mol22566	CCC(C)(CC(=O)O)CC(=O)O
3.62	AttenGpKa training set	0	-1	CCC(C)(CC(=O)O)CC(=O)O	CCC(C)(CC(=O)[O-])CC(=O)O	mol22566	CCC(C)(CC(=O)O)CC(=O)O
3.925	OCHEM	-1	-2	CCC(C)(CC(=O)[O-])CC(=O)O	CCC(C)(CC(=O)[O-])CC(=O)[O-]	mol22566	CCC(C)(CC(=O)O)CC(=O)O
6.69999980926514	QSARToolbox	-1	-2	CCC(C)(CC(=O)[O-])CC(=O)O	CCC(C)(CC(=O)[O-])CC(=O)[O-]	mol22566	CCC(C)(CC(=O)O)CC(=O)O
6.7	AttenGpKa training set	-1	-2	CCC(C)(CC(=O)[O-])CC(=O)O	CCC(C)(CC(=O)[O-])CC(=O)[O-]	mol22566	CCC(C)(CC(=O)O)CC(=O)O