pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.2600002288818	QSARToolbox	0	-1	COc1ccc([C@@H](C(C#N)C#N)N2CCCCC2)cc1	COc1ccc([C@@H]([C-](C#N)C#N)N2CCCCC2)cc1	mol37079	COc1ccc(C(C(C#N)C#N)N2CCCCC2)cc1