pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.51	OCHEM	0	-1	COC(=O)[C@]12C[C@](C(=O)O)(C1)C2	COC(=O)[C@]12C[C@](C(=O)[O-])(C1)C2	mol22371	COC(=O)C12CC(C(=O)O)(C1)C2
3.50999999046326	QSARToolbox	0	-1	COC(=O)[C@]12C[C@](C(=O)O)(C1)C2	COC(=O)[C@]12C[C@](C(=O)[O-])(C1)C2	mol22371	COC(=O)C12CC(C(=O)O)(C1)C2