pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.6999998092651	QSARToolbox	-1	-2	[CH2-]C(=O)[C@@H](C#N)C(=O)SCCNC(C)=O,CC(=O)NCCSC(=O)[C-](C#N)C(C)=O	[CH2-]C(=O)[C@@H](C#N)C(=O)SCC[N-]C(C)=O,[CH2-]C(=O)[C-](C#N)C(=O)SCCNC(C)=O,CC(=O)[N-]CCSC(=O)[C-](C#N)C(C)=O	mol34724	CC(=O)NCCSC(=O)C(C#N)C(C)=O