pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.75	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-]	mol10443	O=C(O)[C@H]1CC=CC[C@H]1C(=O)O
3.89000010490417	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-]	mol10443	O=C(O)[C@H]1CC=CC[C@H]1C(=O)O
3.89	AttenGpKa training set	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-]	mol10443	O=C(O)[C@H]1CC=CC[C@H]1C(=O)O
6.77	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-]	mol10443	O=C(O)[C@H]1CC=CC[C@H]1C(=O)O
6.79	AttenGpKa training set	-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-]	mol10443	O=C(O)[C@H]1CC=CC[C@H]1C(=O)O