pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-5.66	AttenGpKa training set	0	-1	O=[N+]([O-])c1ccc(OS(=O)(=O)O)c([N+](=O)[O-])c1	O=[N+]([O-])c1ccc(OS(=O)(=O)[O-])c([N+](=O)[O-])c1	mol28505	O=[N+]([O-])c1ccc(OS(=O)(=O)O)c([N+](=O)[O-])c1