pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.78	AttenGpKa training set	0	-1	NNS(=O)(=O)c1cccc([N+](=O)[O-])c1	N[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1	mol24852	NNS(=O)(=O)c1cccc([N+](=O)[O-])c1