pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.55	Datawarrior	0	-1	N#CC(C#N)=NNc1ccccc1	N#CC(C#N)=N[N-]c1ccccc1	mol13864	N#CC(C#N)=NNc1ccccc1
6.5500002	OCHEM	0	-1	N#CC(C#N)=NNc1ccccc1	N#CC(C#N)=N[N-]c1ccccc1	mol13864	N#CC(C#N)=NNc1ccccc1
6.55000019073486	QSARToolbox	0	-1	N#CC(C#N)=NNc1ccccc1	N#CC(C#N)=N[N-]c1ccccc1	mol13864	N#CC(C#N)=NNc1ccccc1
6.525	AttenGpKa training set	0	-1	N#CC(C#N)=NNc1ccccc1	N#CC(C#N)=N[N-]c1ccccc1	mol13864	N#CC(C#N)=NNc1ccccc1
-0.82	Datawarrior	1	0	N#CC(C#N)=[NH+]Nc1ccccc1,N#CC(C#N)=N[NH2+]c1ccccc1	N#CC(C#N)=NNc1ccccc1	mol13864	N#CC(C#N)=NNc1ccccc1
-0.81999999	OCHEM	1	0	N#CC(C#N)=[NH+]Nc1ccccc1,N#CC(C#N)=N[NH2+]c1ccccc1	N#CC(C#N)=NNc1ccccc1	mol13864	N#CC(C#N)=NNc1ccccc1