pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-1.4	AttenGpKa training set	1	0	O=[N+]([O-])c1cc([NH2+]CO)cc([N+](=O)[O-])c1	O=[N+]([O-])c1cc(NCO)cc([N+](=O)[O-])c1	mol23918	O=[N+]([O-])c1cc(NCO)cc([N+](=O)[O-])c1