pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.914	IUPAC digitized pKa	0	-1	O=C(O)c1cccc(O)c1O	O=C([O-])c1cccc(O)c1O	mol9957	O=C(O)c1cccc(O)c1O
2.91	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1cccc(O)c1O	O=C([O-])c1cccc(O)c1O	mol9957	O=C(O)c1cccc(O)c1O
2.91000008583069	QSARToolbox	0	-1	O=C(O)c1cccc(O)c1O	O=C([O-])c1cccc(O)c1O	mol9957	O=C(O)c1cccc(O)c1O
2.82999992370605	QSARToolbox	0	-1	O=C(O)c1cccc(O)c1O	O=C([O-])c1cccc(O)c1O	mol9957	O=C(O)c1cccc(O)c1O
2.79999995231628	QSARToolbox	0	-1	O=C(O)c1cccc(O)c1O	O=C([O-])c1cccc(O)c1O	mol9957	O=C(O)c1cccc(O)c1O
2.70000004768372	QSARToolbox	0	-1	O=C(O)c1cccc(O)c1O	O=C([O-])c1cccc(O)c1O	mol9957	O=C(O)c1cccc(O)c1O
2.91400003433228	QSARToolbox	0	-1	O=C(O)c1cccc(O)c1O	O=C([O-])c1cccc(O)c1O	mol9957	O=C(O)c1cccc(O)c1O
2.82	AttenGpKa training set	0	-1	O=C(O)c1cccc(O)c1O	O=C([O-])c1cccc(O)c1O	mol9957	O=C(O)c1cccc(O)c1O
9.78999996185303	QSARToolbox	-1	-2	O=C([O-])c1cccc(O)c1O	O=C([O-])c1cccc([O-])c1O	mol9957	O=C(O)c1cccc(O)c1O
10.1000003814697	QSARToolbox	-1	-2	O=C([O-])c1cccc(O)c1O	O=C([O-])c1cccc([O-])c1O	mol9957	O=C(O)c1cccc(O)c1O
10.07	AttenGpKa training set	-1	-2	O=C([O-])c1cccc(O)c1O	O=C([O-])c1cccc([O-])c1O	mol9957	O=C(O)c1cccc(O)c1O
13.0	QSARToolbox	-2	-3	O=C([O-])c1cccc([O-])c1O	O=C([O-])c1cccc([O-])c1[O-]	mol9957	O=C(O)c1cccc(O)c1O
12.58	AttenGpKa training set	-2	-3	O=C([O-])c1cccc([O-])c1O	O=C([O-])c1cccc([O-])c1[O-]	mol9957	O=C(O)c1cccc(O)c1O