pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.37	Datawarrior	1	0	CCCCSCC[NH3+]	CCCCSCCN	mol12479	CCCCSCCN
8.3699999	OCHEM	1	0	CCCCSCC[NH3+]	CCCCSCCN	mol12479	CCCCSCCN
5.61999988555908	QSARToolbox	1	0	CCCCSCC[NH3+]	CCCCSCCN	mol12479	CCCCSCCN