pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.27	IUPAC digitized pKa	0	-1	OCCCNC(=S)C(=S)NCCCO	OCCC[N-]C(=S)C(=S)NCCCO	mol10809	OCCCNC(=S)C(=S)NCCCO
11.37	IUPAC digitized pKa	0	-1	OCCCNC(=S)C(=S)NCCCO	OCCC[N-]C(=S)C(=S)NCCCO	mol10809	OCCCNC(=S)C(=S)NCCCO
14.29	IUPAC digitized pKa	-2	-3	[O-]CCCNC(=S)C(=S)NCCC[O-],[O-]CCC[N-]C(=S)C(=S)NCCCO,[O-]CCCNC(=S)C(=S)[N-]CCCO,OCCC[N-]C(=S)C(=S)[N-]CCCO	[O-]CCC[N-]C(=S)C(=S)NCCC[O-],[O-]CCC[N-]C(=S)C(=S)[N-]CCCO	mol10809	OCCCNC(=S)C(=S)NCCCO