pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.06	AttenGpKa training set	0	-1	COc1nc([N+](=O)[O-])c[nH]1	COc1nc([N+](=O)[O-])c[n-]1	mol25355	COc1nc([N+](=O)[O-])c[nH]1
-0.9	AttenGpKa training set	1	0	COc1[nH]cc([N+](=O)[O-])[nH+]1	COc1nc([N+](=O)[O-])c[nH]1	mol25355	COc1nc([N+](=O)[O-])c[nH]1