pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.5	AttenGpKa training set	-1	-2	O=[N+]([O-])c1cc(S(=O)(=O)[O-])cc([N+](=O)[O-])c1O	O=[N+]([O-])c1cc(S(=O)(=O)[O-])cc([N+](=O)[O-])c1[O-]	mol30835	O=[N+]([O-])c1cc(S(=O)(=O)O)cc([N+](=O)[O-])c1O