pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.7	Datawarrior	0	-1	O=C(O)/C=C/SC1CCCCC1	O=C([O-])/C=C/SC1CCCCC1	mol12526	O=C(O)/C=C/SC1CCCCC1
4.69999980926514	QSARToolbox	0	-1	O=C(O)/C=C/SC1CCCCC1	O=C([O-])/C=C/SC1CCCCC1	mol12526	O=C(O)/C=C/SC1CCCCC1