pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.92	IUPAC digitized pKa	1	0	COC[C@H]1O[C@H](O)[C@H]([NH3+])[C@@H](OC)[C@@H]1OC	COC[C@H]1O[C@H](O)[C@H](N)[C@@H](OC)[C@@H]1OC	mol8632	COC[C@H]1OC(O)[C@H](N)[C@@H](OC)[C@@H]1OC
6.92000007629395	QSARToolbox	1	0	COC[C@H]1O[C@H](O)[C@H]([NH3+])[C@@H](OC)[C@@H]1OC	COC[C@H]1O[C@H](O)[C@H](N)[C@@H](OC)[C@@H]1OC	mol8632	COC[C@H]1OC(O)[C@H](N)[C@@H](OC)[C@@H]1OC