pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.62	AttenGpKa training set	1	0	COc1ccc(C(=O)Nc2ccc([NH3+])cc2)cc1	COc1ccc(C(=O)Nc2ccc(N)cc2)cc1	mol11974	COc1ccc(C(=O)Nc2ccc(N)cc2)cc1