pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.17	IUPAC digitized pKa	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-]	mol10445	O=C(O)C1CC=CCC1C(=O)O
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-]	mol10445	O=C(O)C1CC=CCC1C(=O)O
5.8	IUPAC digitized pKa	-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-]	mol10445	O=C(O)C1CC=CCC1C(=O)O
4.2	OCHEM	-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-]	mol10445	O=C(O)C1CC=CCC1C(=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-]	mol10445	O=C(O)C1CC=CCC1C(=O)O