pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.95000004768372	QSARToolbox	0	-1	O=C(O)[C@H]1CC=CC[C@@H]1C(=O)O	O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)O	mol36336	O=C(O)[C@H]1CC=CC[C@@H]1C(=O)O
5.80999994277954	QSARToolbox	-1	-2	O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)O	O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)[O-]	mol36336	O=C(O)[C@H]1CC=CC[C@@H]1C(=O)O