pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
13.05	AttenGpKa training set	0	-1	O=[N+]([O-])c1ccc2[nH]c3ccc([N+](=O)[O-])cc3c2c1	O=[N+]([O-])c1ccc2[n-]c3ccc([N+](=O)[O-])cc3c2c1	mol26714	O=[N+]([O-])c1ccc2[nH]c3ccc([N+](=O)[O-])cc3c2c1