pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.43	Datawarrior	1	0	CCCSCC[NH3+]	CCCSCCN	mol15971	CCCSCCN
9.4300003	OCHEM	1	0	CCCSCC[NH3+]	CCCSCCN	mol15971	CCCSCCN