pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.06	AttenGpKa training set	1	0	[NH3+]Cc1ccc(/C=C/C(=O)O)cc1	[NH3+]Cc1ccc(/C=C/C(=O)[O-])cc1	mol23328	NCc1ccc(/C=C/C(=O)O)cc1