pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.42	IUPAC digitized pKa	1	0	OC[C@H]1O[C@@H]([NH2+]c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O	OC[C@H]1O[C@@H](Nc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O	mol8629	OC[C@H]1OC(Nc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O