pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.0	AttenGpKa training set	0	-1	O=[N+]([O-])Nc1cccc([N+](=O)[O-])c1	O=[N+]([O-])[N-]c1cccc([N+](=O)[O-])c1	mol27896	O=[N+]([O-])Nc1cccc([N+](=O)[O-])c1