pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.9	Datawarrior	0	-1	Cc1ccccc1NN=C(C#N)C#N	Cc1ccccc1[N-]N=C(C#N)C#N	mol13218	Cc1ccccc1NN=C(C#N)C#N
6.9000001	OCHEM	0	-1	Cc1ccccc1NN=C(C#N)C#N	Cc1ccccc1[N-]N=C(C#N)C#N	mol13218	Cc1ccccc1NN=C(C#N)C#N
6.90000009536743	QSARToolbox	0	-1	Cc1ccccc1NN=C(C#N)C#N	Cc1ccccc1[N-]N=C(C#N)C#N	mol13218	Cc1ccccc1NN=C(C#N)C#N
-0.84	Datawarrior	1	0	Cc1ccccc1N[NH+]=C(C#N)C#N,Cc1ccccc1[NH2+]N=C(C#N)C#N	Cc1ccccc1NN=C(C#N)C#N	mol13218	Cc1ccccc1NN=C(C#N)C#N
-0.83999997	OCHEM	1	0	Cc1ccccc1N[NH+]=C(C#N)C#N,Cc1ccccc1[NH2+]N=C(C#N)C#N	Cc1ccccc1NN=C(C#N)C#N	mol13218	Cc1ccccc1NN=C(C#N)C#N