pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.33	Datawarrior	0	-1	N#CC(C#N)=NNc1ccc(/N=N/c2ccccc2)cc1	N#CC(C#N)=N[N-]c1ccc(/N=N/c2ccccc2)cc1	mol15395	N#CC(C#N)=NNc1ccc(/N=N/c2ccccc2)cc1
-0.87	Datawarrior	2	1	N#CC(C#N)=N[NH2+]c1ccc(/[NH+]=N/c2ccccc2)cc1,N#CC(C#N)=[NH+][NH2+]c1ccc(/N=N/c2ccccc2)cc1,N#CC(C#N)=[NH+]Nc1ccc(/N=[NH+]/c2ccccc2)cc1,N#CC(C#N)=NNc1ccc(/[NH+]=[NH+]/c2ccccc2)cc1,N#CC(C#N)=[NH+]Nc1ccc(/[NH+]=N/c2ccccc2)cc1,N#CC(C#N)=N[NH2+]c1ccc(/N=[NH+]/c2ccccc2)cc1	N#CC(C#N)=[NH+]Nc1ccc(/N=N/c2ccccc2)cc1,N#CC(C#N)=N[NH2+]c1ccc(/N=N/c2ccccc2)cc1,N#CC(C#N)=NNc1ccc(/N=[NH+]/c2ccccc2)cc1	mol15395	N#CC(C#N)=NNc1ccc(/N=N/c2ccccc2)cc1