pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-0.96	Datawarrior	1	0	N#CC(C#N)=N[NH2+]c1ccccc1C(=O)O,N#CC(C#N)=[NH+]Nc1ccccc1C(=O)O	N#CC(C#N)=NNc1ccccc1C(=O)O	mol14434	N#CC(C#N)=NNc1ccccc1C(=O)O
-0.95999998	OCHEM	1	0	N#CC(C#N)=N[NH2+]c1ccccc1C(=O)O,N#CC(C#N)=[NH+]Nc1ccccc1C(=O)O	N#CC(C#N)=NNc1ccccc1C(=O)O	mol14434	N#CC(C#N)=NNc1ccccc1C(=O)O
6.7	Datawarrior	-1	-2	N#CC(C#N)=NNc1ccccc1C(=O)[O-],N#CC(C#N)=N[N-]c1ccccc1C(=O)O	N#CC(C#N)=N[N-]c1ccccc1C(=O)[O-]	mol14434	N#CC(C#N)=NNc1ccccc1C(=O)O
6.6999998	OCHEM	-1	-2	N#CC(C#N)=NNc1ccccc1C(=O)[O-],N#CC(C#N)=N[N-]c1ccccc1C(=O)O	N#CC(C#N)=N[N-]c1ccccc1C(=O)[O-]	mol14434	N#CC(C#N)=NNc1ccccc1C(=O)O
6.69999980926514	QSARToolbox	-1	-2	N#CC(C#N)=NNc1ccccc1C(=O)[O-],N#CC(C#N)=N[N-]c1ccccc1C(=O)O	N#CC(C#N)=N[N-]c1ccccc1C(=O)[O-]	mol14434	N#CC(C#N)=NNc1ccccc1C(=O)O