pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.77	AttenGpKa training set	0	-1	O=C(Nc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1	O=C([N-]S(=O)(=O)c1ccc(Cl)cc1)Nc1ccccc1	mol28683	O=C(Nc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1