pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.84	Datawarrior	0	-1	N#CC(C#N)=NNc1ccccc1Cl	N#CC(C#N)=N[N-]c1ccccc1Cl	mol13219	N#CC(C#N)=NNc1ccccc1Cl
5.8400002	OCHEM	0	-1	N#CC(C#N)=NNc1ccccc1Cl	N#CC(C#N)=N[N-]c1ccccc1Cl	mol13219	N#CC(C#N)=NNc1ccccc1Cl
5.8299999	OCHEM	0	-1	N#CC(C#N)=NNc1ccccc1Cl	N#CC(C#N)=N[N-]c1ccccc1Cl	mol13219	N#CC(C#N)=NNc1ccccc1Cl
5.82999992370606	QSARToolbox	0	-1	N#CC(C#N)=NNc1ccccc1Cl	N#CC(C#N)=N[N-]c1ccccc1Cl	mol13219	N#CC(C#N)=NNc1ccccc1Cl
5.84999990463257	QSARToolbox	0	-1	N#CC(C#N)=NNc1ccccc1Cl	N#CC(C#N)=N[N-]c1ccccc1Cl	mol13219	N#CC(C#N)=NNc1ccccc1Cl
-0.77	Datawarrior	1	0	N#CC(C#N)=N[NH2+]c1ccccc1Cl,N#CC(C#N)=[NH+]Nc1ccccc1Cl	N#CC(C#N)=NNc1ccccc1Cl	mol13219	N#CC(C#N)=NNc1ccccc1Cl
-0.76999998	OCHEM	1	0	N#CC(C#N)=N[NH2+]c1ccccc1Cl,N#CC(C#N)=[NH+]Nc1ccccc1Cl	N#CC(C#N)=NNc1ccccc1Cl	mol13219	N#CC(C#N)=NNc1ccccc1Cl