pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.84999990463257	QSARToolbox	0	-1	Cc1cc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(C)c1O	Cc1cc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(C)c1[O-]	mol35461	Cc1cc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(C)c1O
7.40000009536743	QSARToolbox	0	-1	Cc1cc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(C)c1O	Cc1cc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(C)c1[O-]	mol35461	Cc1cc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(C)c1O