pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.45	Datawarrior	1	0	Cn1[nH+]cnc1/N=N/O,Cn1ncnc1/N=[NH+]/O,Cn1nc[nH+]c1/N=N/O	Cn1ncnc1/N=N/O	mol13676	Cn1ncnc1/N=N/O
4.4499998	OCHEM	1	0	Cn1[nH+]cnc1/N=N/O,Cn1ncnc1/N=[NH+]/O,Cn1nc[nH+]c1/N=N/O	Cn1ncnc1/N=N/O	mol13676	Cn1ncnc1/N=N/O
4.44999980926514	QSARToolbox	1	0	Cn1[nH+]cnc1/N=N/O,Cn1ncnc1/N=[NH+]/O,Cn1nc[nH+]c1/N=N/O	Cn1ncnc1/N=N/O	mol13676	Cn1ncnc1/N=N/O