pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.88	AttenGpKa training set	0	-1	CNS(=O)(=O)Oc1ccc([N+](=O)[O-])cc1	C[N-]S(=O)(=O)Oc1ccc([N+](=O)[O-])cc1	mol28414	CNS(=O)(=O)Oc1ccc([N+](=O)[O-])cc1