pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.46000000834465	QSARToolbox	0	-1	COC(=O)NS(=O)(=O)Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	COC(=O)[N-]S(=O)(=O)Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	mol36614	COC(=O)NS(=O)(=O)Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]