pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.0	QSARToolbox	1	0	COCC[NH2+]C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	COCCNC[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	mol36652	COCCNC[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O