pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.75	Datawarrior	0	-1	Cc1nc([N+](=O)[O-])c[nH]1	Cc1nc([N+](=O)[O-])c[n-]1	mol13678	Cc1nc([N+](=O)[O-])c[nH]1
0.86	AttenGpKa training set	1	0	Cc1[nH]cc([N+](=O)[O-])[nH+]1	Cc1nc([N+](=O)[O-])c[nH]1	mol13678	Cc1nc([N+](=O)[O-])c[nH]1