pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.97	AttenGpKa training set	0	-1	CC(=O)NS(=O)(=O)c1cccc([N+](=O)[O-])c1	CC(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1	mol28441	CC(=O)NS(=O)(=O)c1cccc([N+](=O)[O-])c1