pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.80999994277954	QSARToolbox	1	0	C[C@@H](N/C(Nc1ccncc1)=[NH+]\C#N)C(C)(C)C,C[C@@H](N/C(=N\C#N)Nc1cc[nH+]cc1)C(C)(C)C	C[C@@H](N/C(=N\C#N)Nc1ccncc1)C(C)(C)C	mol34040	CC(N/C(=N\C#N)Nc1ccncc1)C(C)(C)C