pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.69999980926514	QSARToolbox	2	1	O=[N+]([O-])c1ccc(N/N=C(O)\[NH+]=[NH+]\c2ccc([N+](=O)[O-])cc2)cc1,O=[N+]([O-])c1ccc(/[NH+]=[NH+]/C([O-])=N\[NH2+]c2ccc([N+](=O)[O-])cc2)cc1,O=[N+]([O-])c1ccc(N/[NH+]=C(O)\N=[NH+]\c2ccc([N+](=O)[O-])cc2)cc1	O=[N+]([O-])c1ccc(/N=[NH+]/C(O)=N\Nc2ccc([N+](=O)[O-])cc2)cc1,O=[N+]([O-])c1ccc(N/N=C(O)\N=[NH+]\c2ccc([N+](=O)[O-])cc2)cc1,O=[N+]([O-])c1ccc(/N=N/C(O)=N\[NH2+]c2ccc([N+](=O)[O-])cc2)cc1,O=[N+]([O-])c1ccc(N/N=C([O-])\[NH+]=[NH+]\c2ccc([N+](=O)[O-])cc2)cc1,O=[N+]([O-])c1ccc(/N=N/C(O)=[NH+]\Nc2ccc([N+](=O)[O-])cc2)cc1,O=[N+]([O-])c1ccc(/[NH+]=N/C([O-])=N\[NH2+]c2ccc([N+](=O)[O-])cc2)cc1	mol35955	O=[N+]([O-])c1ccc(/N=N/C(O)=NNc2ccc([N+](=O)[O-])cc2)cc1