pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.8500004	OCHEM	1	0	CS[C@@H]1CCC[C@H]1[NH+](C)C	CS[C@@H]1CCC[C@H]1N(C)C	mol32730	CSC1CCCC1N(C)C