pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-1.97	AttenGpKa training set	1	0	O=[N+]([O-])c1cc(-n2ccc[nH+]2)cc([N+](=O)[O-])c1[N+](=O)[O-]	O=[N+]([O-])c1cc(-n2cccn2)cc([N+](=O)[O-])c1[N+](=O)[O-]	mol25596	O=[N+]([O-])c1cc(-n2cccn2)cc([N+](=O)[O-])c1[N+](=O)[O-]