pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.39999961853027	QSARToolbox	1	0	[NH3+]CCNCCS,NCC[NH2+]CCS	NCCNCCS,[NH3+]CCNCC[S-],NCC[NH2+]CC[S-]	mol38462	NCCNCCS