pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.2	AttenGpKa training set	0	-1	O=C(NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1	O=C([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1	mol28665	O=C(NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1