pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.5	QSARToolbox	0	-1	COCc1cc(N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(COC)c1O	COCc1cc(N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(COC)c1[O-]	mol36657	COCc1cc(N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(COC)c1O