pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.2	AttenGpKa training set	1	0	[NH3+]c1ccc(-c2ccccc2[N+](=O)[O-])cc1	Nc1ccc(-c2ccccc2[N+](=O)[O-])cc1	mol23922	Nc1ccc(-c2ccccc2[N+](=O)[O-])cc1