pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.66	AttenGpKa training set	-1	-2	O=[N+]([O-])[N-]CN[N+](=O)[O-]	O=[N+]([O-])[N-]C[N-][N+](=O)[O-]	mol27851	O=[N+]([O-])[N-]CN[N+](=O)[O-]