pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.6600001	OCHEM	1	0	Cc1ccnc(N=Cc2ccc([N+](=O)[O-])cc2)[nH+]1,Cc1ccnc([NH+]=Cc2ccc([N+](=O)[O-])cc2)n1,Cc1cc[nH+]c(N=Cc2ccc([N+](=O)[O-])cc2)n1	Cc1ccnc(N=Cc2ccc([N+](=O)[O-])cc2)n1	mol32778	Cc1ccnc(N=Cc2ccc([N+](=O)[O-])cc2)n1
3.66000008583069	QSARToolbox	1	0	Cc1ccnc(N=Cc2ccc([N+](=O)[O-])cc2)[nH+]1,Cc1ccnc([NH+]=Cc2ccc([N+](=O)[O-])cc2)n1,Cc1cc[nH+]c(N=Cc2ccc([N+](=O)[O-])cc2)n1	Cc1ccnc(N=Cc2ccc([N+](=O)[O-])cc2)n1	mol32778	Cc1ccnc(N=Cc2ccc([N+](=O)[O-])cc2)n1