pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.65	IUPAC digitized pKa	1	0	NCCSCC[NH3+]	NCCSCCN	mol3150	NCCSCCN
9.81	IUPAC digitized pKa	1	0	NCCSCC[NH3+]	NCCSCCN	mol3150	NCCSCCN
9.64	IUPAC digitized pKa	1	0	NCCSCC[NH3+]	NCCSCCN	mol3150	NCCSCCN
8.84	IUPAC digitized pKa	2	1	[NH3+]CCSCC[NH3+]	NCCSCC[NH3+]	mol3150	NCCSCCN
9.11	IUPAC digitized pKa	2	1	[NH3+]CCSCC[NH3+]	NCCSCC[NH3+]	mol3150	NCCSCCN
8.28	IUPAC digitized pKa	2	1	[NH3+]CCSCC[NH3+]	NCCSCC[NH3+]	mol3150	NCCSCCN
9.2399998	OCHEM	2	1	[NH3+]CCSCC[NH3+]	NCCSCC[NH3+]	mol3150	NCCSCCN
9.34	OCHEM	2	1	[NH3+]CCSCC[NH3+]	NCCSCC[NH3+]	mol3150	NCCSCCN
9.14	OCHEM	2	1	[NH3+]CCSCC[NH3+]	NCCSCC[NH3+]	mol3150	NCCSCCN