pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.09000015258789	QSARToolbox	0	-1	O=C(O)[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1CO	O=C([O-])[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1CO	mol36957	O=C(O)[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1CO