pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.97	IUPAC digitized pKa	0	-1	O=C(O)[C@H]1[C@H](C(=O)O)[C@H]2C=C[C@@H]1C2	O=C([O-])[C@H]1[C@H](C(=O)O)[C@H]2C=C[C@@H]1C2	mol10897	O=C(O)C1C2C=CC(C2)C1C(=O)O
5.65	IUPAC digitized pKa	-1	-2	O=C([O-])[C@H]1[C@H](C(=O)O)[C@H]2C=C[C@@H]1C2	O=C([O-])[C@H]1[C@H](C(=O)[O-])[C@H]2C=C[C@@H]1C2	mol10897	O=C(O)C1C2C=CC(C2)C1C(=O)O
4.36	OCHEM	-1	-2	O=C([O-])[C@H]1[C@H](C(=O)O)[C@H]2C=C[C@@H]1C2	O=C([O-])[C@H]1[C@H](C(=O)[O-])[C@H]2C=C[C@@H]1C2	mol10897	O=C(O)C1C2C=CC(C2)C1C(=O)O
5.4	OCHEM	-1	-2	O=C([O-])[C@H]1[C@H](C(=O)O)[C@H]2C=C[C@@H]1C2	O=C([O-])[C@H]1[C@H](C(=O)[O-])[C@H]2C=C[C@@H]1C2	mol10897	O=C(O)C1C2C=CC(C2)C1C(=O)O
4.59999990463257	QSARToolbox	-1	-2	O=C([O-])[C@H]1[C@H](C(=O)O)[C@H]2C=C[C@@H]1C2	O=C([O-])[C@H]1[C@H](C(=O)[O-])[C@H]2C=C[C@@H]1C2	mol10897	O=C(O)C1C2C=CC(C2)C1C(=O)O
5.73999977111816	QSARToolbox	-1	-2	O=C([O-])[C@H]1[C@H](C(=O)O)[C@H]2C=C[C@@H]1C2	O=C([O-])[C@H]1[C@H](C(=O)[O-])[C@H]2C=C[C@@H]1C2	mol10897	O=C(O)C1C2C=CC(C2)C1C(=O)O