pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.48	Datawarrior	1	0	CCSCC[NH3+]	CCSCCN	mol15880	CCSCCN
9.4799995	OCHEM	1	0	CCSCC[NH3+]	CCSCCN	mol15880	CCSCCN