pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.0	QSARToolbox	1	0	CC[NH+](CC)CCCS	CCN(CC)CCCS,CC[NH+](CC)CCC[S-]	mol33981	CCN(CC)CCCS