pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.30000019073486	QSARToolbox	1	0	OC[C@H]1O[C@@H](C[NH2+]Cc2ccccc2)[C@H](O)[C@@H](O)[C@H]1O	OC[C@H]1O[C@@H](CNCc2ccccc2)[C@H](O)[C@@H](O)[C@H]1O	mol36938	OC[C@H]1O[C@@H](CNCc2ccccc2)[C@H](O)[C@@H](O)[C@H]1O