pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
13.9399995803833	QSARToolbox	0	-1	NC(N)=O	[NH-]C(N)=O	mol5822	NC(N)=O
13.7600002288818	QSARToolbox	0	-1	NC(N)=O	[NH-]C(N)=O	mol5822	NC(N)=O
13.8299999237061	QSARToolbox	0	-1	NC(N)=O	[NH-]C(N)=O	mol5822	NC(N)=O
0.1	IUPAC digitized pKa	1	0	NC(N)=[OH+]	NC(N)=O	mol5822	NC(N)=O
0.18	IUPAC digitized pKa	1	0	NC(N)=[OH+]	NC(N)=O	mol5822	NC(N)=O
0.4	Datawarrior	1	0	NC(N)=[OH+]	NC(N)=O	mol5822	NC(N)=O
0.40000001	OCHEM	1	0	NC(N)=[OH+]	NC(N)=O	mol5822	NC(N)=O
0.569999992847443	QSARToolbox	1	0	NC(N)=[OH+]	NC(N)=O	mol5822	NC(N)=O
0.3	AttenGpKa training set	1	0	NC(N)=[OH+]	NC(N)=O	mol5822	NC(N)=O