pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.06	IUPAC digitized pKa	0	-1	[NH3+]CC1([S-])CCCCC1,NCC1(S)CCCCC1	NCC1([S-])CCCCC1	mol10268	NCC1(S)CCCCC1
8.21	IUPAC digitized pKa	1	0	[NH3+]CC1(S)CCCCC1	[NH3+]CC1([S-])CCCCC1,NCC1(S)CCCCC1	mol10268	NCC1(S)CCCCC1