pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.57800006866455	QSARToolbox	1	0	Cc1cccnc1[NH+]=Cc1cccc([N+](=O)[O-])c1O,Cc1ccc[nH+]c1N=Cc1cccc([N+](=O)[O-])c1O	Cc1cccnc1N=Cc1cccc([N+](=O)[O-])c1O,Cc1cccnc1[NH+]=Cc1cccc([N+](=O)[O-])c1[O-],Cc1ccc[nH+]c1N=Cc1cccc([N+](=O)[O-])c1[O-]	mol35918	Cc1cccnc1N=Cc1cccc([N+](=O)[O-])c1O