pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.75	AttenGpKa training set	0	-1	NS(=O)(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	[NH-]S(=O)(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	mol28443	NS(=O)(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1