pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.82999992370605	QSARToolbox	2	1	CC(C)(C)CN/C(Nc1ccc[nH+]c1)=[NH+]\C#N,CC(C)(C)CN/C(Nc1cccnc1)=[NH+]\C#[NH+],CC(C)(C)CN/C(=N\C#[NH+])Nc1ccc[nH+]c1	CC(C)(C)CN/C(Nc1cccnc1)=[NH+]\C#N,CC(C)(C)CN/C(=N\C#N)Nc1ccc[nH+]c1	mol35016	CC(C)(C)CN/C(=N\C#N)Nc1cccnc1