pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.36	AttenGpKa training set	2	1	[NH3+][C@@H]1C[C@H]([NH3+])[C@@H](O)[C@H](O)[C@H]1O	N[C@H]1C[C@@H]([NH3+])[C@H](O)[C@@H](O)[C@@H]1O	mol29522	N[C@@H]1C[C@H](N)[C@@H](O)[C@H](O)[C@H]1O