pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.5	QSARToolbox	1	0	CC(C)(C)[C@H]1C(=O)[NH+]=C(N)N1C(C)(C)C	CC(C)(C)[C@H]1C(=O)N=C(N)N1C(C)(C)C	mol35012	CC(C)(C)C1C(=O)N=C(N)N1C(C)(C)C