pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.05999994277954	QSARToolbox	2	1	CC1(C)[NH+]=C(NCCC#N)C(C)(C)[NH+]1[O]	CC1(C)[NH+]=C(NCCC#N)C(C)(C)N1[O],CC1(C)N=C(NCCC#N)C(C)(C)[NH+]1[O]	mol34913	CC1(C)N=C(NCCC#N)C(C)(C)N1[O]