pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.0	IUPAC digitized pKa	0	-1	CCCC(C(=O)O)C(=O)O	CCCC(C(=O)[O-])C(=O)O	mol9585	CCCC(C(=O)O)C(=O)O
2.99	Organic Oxygen Acids and Nitrogen Bases	0	-1	CCCC(C(=O)O)C(=O)O	CCCC(C(=O)[O-])C(=O)O	mol9585	CCCC(C(=O)O)C(=O)O
2.97	OCHEM	0	-1	CCCC(C(=O)O)C(=O)O	CCCC(C(=O)[O-])C(=O)O	mol9585	CCCC(C(=O)O)C(=O)O
3.3	OCHEM	0	-1	CCCC(C(=O)O)C(=O)O	CCCC(C(=O)[O-])C(=O)O	mol9585	CCCC(C(=O)O)C(=O)O
2.99000000953674	QSARToolbox	0	-1	CCCC(C(=O)O)C(=O)O	CCCC(C(=O)[O-])C(=O)O	mol9585	CCCC(C(=O)O)C(=O)O
2.985	AttenGpKa training set	0	-1	CCCC(C(=O)O)C(=O)O	CCCC(C(=O)[O-])C(=O)O	mol9585	CCCC(C(=O)O)C(=O)O
5.84	IUPAC digitized pKa	-1	-2	CCCC(C(=O)[O-])C(=O)O	CCCC(C(=O)[O-])C(=O)[O-]	mol9585	CCCC(C(=O)O)C(=O)O
5.54	OCHEM	-1	-2	CCCC(C(=O)[O-])C(=O)O	CCCC(C(=O)[O-])C(=O)[O-]	mol9585	CCCC(C(=O)O)C(=O)O
5.84000015258789	QSARToolbox	-1	-2	CCCC(C(=O)[O-])C(=O)O	CCCC(C(=O)[O-])C(=O)[O-]	mol9585	CCCC(C(=O)O)C(=O)O
5.76	AttenGpKa training set	-1	-2	CCCC(C(=O)[O-])C(=O)O	CCCC(C(=O)[O-])C(=O)[O-]	mol9585	CCCC(C(=O)O)C(=O)O