pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.57	AttenGpKa training set	1	0	CC(=O)Nc1ccc(-c2cccc([NH3+])c2)cc1	CC(=O)Nc1ccc(-c2cccc(N)c2)cc1	mol23960	CC(=O)Nc1ccc(-c2cccc(N)c2)cc1