pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.03999996185303	QSARToolbox	2	1	Cc1nn(-c2ccccc2)c(N)c1[NH+]=[NH+]c1ccc([N+](=O)[O-])cc1,Cc1nn(-c2ccccc2)c([NH3+])c1N=[NH+]c1ccc([N+](=O)[O-])cc1	Cc1nn(-c2ccccc2)c(N)c1N=[NH+]c1ccc([N+](=O)[O-])cc1,Cc1nn(-c2ccccc2)c([NH3+])c1N=Nc1ccc([N+](=O)[O-])cc1,Cc1[nH+]n(-c2ccccc2)c(N)c1N=Nc1ccc([N+](=O)[O-])cc1	mol36025	Cc1nn(-c2ccccc2)c(N)c1N=Nc1ccc([N+](=O)[O-])cc1