pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.7	Datawarrior	0	-1	N#CC(C#N)=NNc1c(Cl)cccc1Cl	N#CC(C#N)=N[N-]c1c(Cl)cccc1Cl	mol14297	N#CC(C#N)=NNc1c(Cl)cccc1Cl
4.6999998	OCHEM	0	-1	N#CC(C#N)=NNc1c(Cl)cccc1Cl	N#CC(C#N)=N[N-]c1c(Cl)cccc1Cl	mol14297	N#CC(C#N)=NNc1c(Cl)cccc1Cl
4.69999980926514	QSARToolbox	0	-1	N#CC(C#N)=NNc1c(Cl)cccc1Cl	N#CC(C#N)=N[N-]c1c(Cl)cccc1Cl	mol14297	N#CC(C#N)=NNc1c(Cl)cccc1Cl
-0.67	Datawarrior	1	0	N#CC(C#N)=[NH+]Nc1c(Cl)cccc1Cl,N#CC(C#N)=N[NH2+]c1c(Cl)cccc1Cl	N#CC(C#N)=NNc1c(Cl)cccc1Cl	mol14297	N#CC(C#N)=NNc1c(Cl)cccc1Cl
-0.67000002	OCHEM	1	0	N#CC(C#N)=[NH+]Nc1c(Cl)cccc1Cl,N#CC(C#N)=N[NH2+]c1c(Cl)cccc1Cl	N#CC(C#N)=NNc1c(Cl)cccc1Cl	mol14297	N#CC(C#N)=NNc1c(Cl)cccc1Cl