pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.23	Datawarrior	1	0	CC(C)SCC[NH3+]	CC(C)SCCN	mol15970	CC(C)SCCN
9.2299995	OCHEM	1	0	CC(C)SCC[NH3+]	CC(C)SCCN	mol15970	CC(C)SCCN