pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.73	Datawarrior	1	0	CC(C)CSCC[NH3+]	CC(C)CSCCN	mol12481	CC(C)CSCCN
8.7299995	OCHEM	1	0	CC(C)CSCC[NH3+]	CC(C)CSCCN	mol12481	CC(C)CSCCN