pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.45	Datawarrior	0	-1	N#CC(C#N)=NNc1cccc(O)c1	N#CC(C#N)=N[N-]c1cccc(O)c1,N#CC(C#N)=NNc1cccc([O-])c1	mol13224	N#CC(C#N)=NNc1cccc(O)c1
6.4499998	OCHEM	0	-1	N#CC(C#N)=NNc1cccc(O)c1	N#CC(C#N)=N[N-]c1cccc(O)c1,N#CC(C#N)=NNc1cccc([O-])c1	mol13224	N#CC(C#N)=NNc1cccc(O)c1
6.44999980926514	QSARToolbox	0	-1	N#CC(C#N)=NNc1cccc(O)c1	N#CC(C#N)=N[N-]c1cccc(O)c1,N#CC(C#N)=NNc1cccc([O-])c1	mol13224	N#CC(C#N)=NNc1cccc(O)c1