pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.62	AttenGpKa training set	0	-1	O=C(O)c1cc(O)cc(C(=O)O)c1	O=C([O-])c1cc(O)cc(C(=O)O)c1	mol22767	O=C(O)c1cc(O)cc(C(=O)O)c1
3.55999994277954	QSARToolbox	-1	-2	O=C([O-])c1cc(O)cc(C(=O)O)c1	O=C([O-])c1cc(O)cc(C(=O)[O-])c1	mol22767	O=C(O)c1cc(O)cc(C(=O)O)c1
3.52	AttenGpKa training set	-1	-2	O=C([O-])c1cc(O)cc(C(=O)O)c1	O=C([O-])c1cc(O)cc(C(=O)[O-])c1	mol22767	O=C(O)c1cc(O)cc(C(=O)O)c1
10.39	AttenGpKa training set	-2	-3	O=C([O-])c1cc(O)cc(C(=O)[O-])c1	O=C([O-])c1cc([O-])cc(C(=O)[O-])c1	mol22767	O=C(O)c1cc(O)cc(C(=O)O)c1