pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.94	AttenGpKa training set	1	0	NC(=O)c1ccccc1[NH3+]	NC(=O)c1ccccc1N	mol23713	NC(=O)c1ccccc1N