pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.25	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	mol36354	O=C(O)[C@@H]1[C@H](C(=O)O)[C@@H]2C=C[C@H]1C2
7.03999996185303	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	mol36354	O=C(O)[C@@H]1[C@H](C(=O)O)[C@@H]2C=C[C@H]1C2