pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.03999996185303	QSARToolbox	-2	-3	O=C([O-])C1=C(N=Nc2ccc([N+](=O)[O-])cc2)C(=O)NC(=O)/C1=N\[N-]c1ccc([N+](=O)[O-])cc1,O=C([O-])C1=C(N=Nc2ccc([N+](=O)[O-])cc2)C(=O)[N-]C(=O)/C1=N\Nc1ccc([N+](=O)[O-])cc1	O=C([O-])C1=C(N=Nc2ccc([N+](=O)[O-])cc2)C(=O)[N-]C(=O)/C1=N\[N-]c1ccc([N+](=O)[O-])cc1	mol35983	O=C(O)C1=C(N=Nc2ccc([N+](=O)[O-])cc2)C(=O)NC(=O)/C1=N\Nc1ccc([N+](=O)[O-])cc1