pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.39999961853027	QSARToolbox	-1	-2	O=C1[C-](O)Oc2cc([N+](=O)[O-])ccc2N1O,O=C1[C@H](O)Oc2cc([N+](=O)[O-])ccc2N1[O-]	O=C1[C-]([O-])Oc2cc([N+](=O)[O-])ccc2N1O	mol36797	O=C1C(O)Oc2cc([N+](=O)[O-])ccc2N1O