pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.62	Datawarrior	1	0	CC[NH+](CC)CCSC	CCN(CC)CCSC	mol13501	CCN(CC)CCSC
9.6199999	OCHEM	1	0	CC[NH+](CC)CCSC	CCN(CC)CCSC	mol13501	CCN(CC)CCSC