pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.49	OCHEM	0	-1	O=C(O)CSC1CCCCC1	O=C([O-])CSC1CCCCC1	mol22386	O=C(O)CSC1CCCCC1
3.49000000953674	QSARToolbox	0	-1	O=C(O)CSC1CCCCC1	O=C([O-])CSC1CCCCC1	mol22386	O=C(O)CSC1CCCCC1