pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.92	IUPAC digitized pKa	0	-1	CC(C)C(C(=O)O)C(=O)O	CC(C)C(C(=O)[O-])C(=O)O	mol9584	CC(C)C(C(=O)O)C(=O)O
3.43	IUPAC digitized pKa	0	-1	CC(C)C(C(=O)O)C(=O)O	CC(C)C(C(=O)[O-])C(=O)O	mol9584	CC(C)C(C(=O)O)C(=O)O
2.94	IUPAC digitized pKa	0	-1	CC(C)C(C(=O)O)C(=O)O	CC(C)C(C(=O)[O-])C(=O)O	mol9584	CC(C)C(C(=O)O)C(=O)O
2.94000005722046	QSARToolbox	0	-1	CC(C)C(C(=O)O)C(=O)O	CC(C)C(C(=O)[O-])C(=O)O	mol9584	CC(C)C(C(=O)O)C(=O)O
2.935	AttenGpKa training set	0	-1	CC(C)C(C(=O)O)C(=O)O	CC(C)C(C(=O)[O-])C(=O)O	mol9584	CC(C)C(C(=O)O)C(=O)O
5.88	IUPAC digitized pKa	-1	-2	CC(C)C(C(=O)[O-])C(=O)O	CC(C)C(C(=O)[O-])C(=O)[O-]	mol9584	CC(C)C(C(=O)O)C(=O)O
6.36	IUPAC digitized pKa	-1	-2	CC(C)C(C(=O)[O-])C(=O)O	CC(C)C(C(=O)[O-])C(=O)[O-]	mol9584	CC(C)C(C(=O)O)C(=O)O
3.3	OCHEM	-1	-2	CC(C)C(C(=O)[O-])C(=O)O	CC(C)C(C(=O)[O-])C(=O)[O-]	mol9584	CC(C)C(C(=O)O)C(=O)O
5.58	OCHEM	-1	-2	CC(C)C(C(=O)[O-])C(=O)O	CC(C)C(C(=O)[O-])C(=O)[O-]	mol9584	CC(C)C(C(=O)O)C(=O)O
5.88000011444092	QSARToolbox	-1	-2	CC(C)C(C(=O)[O-])C(=O)O	CC(C)C(C(=O)[O-])C(=O)[O-]	mol9584	CC(C)C(C(=O)O)C(=O)O
5.84	AttenGpKa training set	-1	-2	CC(C)C(C(=O)[O-])C(=O)O	CC(C)C(C(=O)[O-])C(=O)[O-]	mol9584	CC(C)C(C(=O)O)C(=O)O