pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.14000010490417	QSARToolbox	0	-1	O=C(O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)c1ccccc1	O=C([O-])c1cc([N+](=O)[O-])ccc1S(=O)(=O)c1ccccc1	mol36375	O=C(O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)c1ccccc1