pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.5	QSARToolbox	-1	-2	O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1C[C@@](O)(C(=O)[O-])C[C@H](O)[C@@H]1O	O=C(/C=C/c1ccc([O-])c(O)c1)O[C@H]1C[C@@](O)(C(=O)[O-])C[C@H](O)[C@@H]1O,O=C(/C=C/c1ccc(O)c([O-])c1)O[C@H]1C[C@@](O)(C(=O)[O-])C[C@H](O)[C@@H]1O	mol37328	O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1C[C@@](O)(C(=O)O)C[C@H](O)[C@@H]1O