pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.28	IUPAC digitized pKa	0	-1	CC(C)C(CC(=O)O)CC(=O)O	CC(C)C(CC(=O)[O-])CC(=O)O	mol10471	CC(C)C(CC(=O)O)CC(=O)O
4.3	OCHEM	0	-1	CC(C)C(CC(=O)O)CC(=O)O	CC(C)C(CC(=O)[O-])CC(=O)O	mol10471	CC(C)C(CC(=O)O)CC(=O)O
4.30000019073486	QSARToolbox	0	-1	CC(C)C(CC(=O)O)CC(=O)O	CC(C)C(CC(=O)[O-])CC(=O)O	mol10471	CC(C)C(CC(=O)O)CC(=O)O
4.32999992370606	QSARToolbox	0	-1	CC(C)C(CC(=O)O)CC(=O)O	CC(C)C(CC(=O)[O-])CC(=O)O	mol10471	CC(C)C(CC(=O)O)CC(=O)O
5.51	IUPAC digitized pKa	-1	-2	CC(C)C(CC(=O)[O-])CC(=O)O	CC(C)C(CC(=O)[O-])CC(=O)[O-]	mol10471	CC(C)C(CC(=O)O)CC(=O)O
4.615	OCHEM	-1	-2	CC(C)C(CC(=O)[O-])CC(=O)O	CC(C)C(CC(=O)[O-])CC(=O)[O-]	mol10471	CC(C)C(CC(=O)O)CC(=O)O
5.51000022888184	QSARToolbox	-1	-2	CC(C)C(CC(=O)[O-])CC(=O)O	CC(C)C(CC(=O)[O-])CC(=O)[O-]	mol10471	CC(C)C(CC(=O)O)CC(=O)O