pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.52	IUPAC digitized pKa	0	-1	O=C(O)C(C(=O)O)c1ccccc1	O=C([O-])C(C(=O)O)c1ccccc1	mol10850	O=C(O)C(C(=O)O)c1ccccc1
3.02	IUPAC digitized pKa	0	-1	O=C(O)C(C(=O)O)c1ccccc1	O=C([O-])C(C(=O)O)c1ccccc1	mol10850	O=C(O)C(C(=O)O)c1ccccc1
2.58	OCHEM	0	-1	O=C(O)C(C(=O)O)c1ccccc1	O=C([O-])C(C(=O)O)c1ccccc1	mol10850	O=C(O)C(C(=O)O)c1ccccc1
2.85	OCHEM	0	-1	O=C(O)C(C(=O)O)c1ccccc1	O=C([O-])C(C(=O)O)c1ccccc1	mol10850	O=C(O)C(C(=O)O)c1ccccc1
2.55999994277954	QSARToolbox	0	-1	O=C(O)C(C(=O)O)c1ccccc1	O=C([O-])C(C(=O)O)c1ccccc1	mol10850	O=C(O)C(C(=O)O)c1ccccc1
2.57999992370605	QSARToolbox	0	-1	O=C(O)C(C(=O)O)c1ccccc1	O=C([O-])C(C(=O)O)c1ccccc1	mol10850	O=C(O)C(C(=O)O)c1ccccc1
2.51999998092651	QSARToolbox	0	-1	O=C(O)C(C(=O)O)c1ccccc1	O=C([O-])C(C(=O)O)c1ccccc1	mol10850	O=C(O)C(C(=O)O)c1ccccc1
5.59	IUPAC digitized pKa	-1	-2	O=C([O-])C(C(=O)O)c1ccccc1	O=C([O-])C(C(=O)[O-])c1ccccc1	mol10850	O=C(O)C(C(=O)O)c1ccccc1
5.96	IUPAC digitized pKa	-1	-2	O=C([O-])C(C(=O)O)c1ccccc1	O=C([O-])C(C(=O)[O-])c1ccccc1	mol10850	O=C(O)C(C(=O)O)c1ccccc1
5.03000020980835	QSARToolbox	-1	-2	O=C([O-])C(C(=O)O)c1ccccc1	O=C([O-])C(C(=O)[O-])c1ccccc1	mol10850	O=C(O)C(C(=O)O)c1ccccc1
5.30000019073486	QSARToolbox	-1	-2	O=C([O-])C(C(=O)O)c1ccccc1	O=C([O-])C(C(=O)[O-])c1ccccc1	mol10850	O=C(O)C(C(=O)O)c1ccccc1
5.59000015258789	QSARToolbox	-1	-2	O=C([O-])C(C(=O)O)c1ccccc1	O=C([O-])C(C(=O)[O-])c1ccccc1	mol10850	O=C(O)C(C(=O)O)c1ccccc1