pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.62	Datawarrior	0	-1	COc1ccc([C@H]2C[C@@H]2C(=O)O)cc1	COc1ccc([C@H]2C[C@@H]2C(=O)[O-])cc1	mol13355	COc1ccc([C@H]2C[C@@H]2C(=O)O)cc1
4.61999988555908	QSARToolbox	0	-1	COc1ccc([C@H]2C[C@@H]2C(=O)O)cc1	COc1ccc([C@H]2C[C@@H]2C(=O)[O-])cc1	mol13355	COc1ccc([C@H]2C[C@@H]2C(=O)O)cc1