pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.45	Datawarrior	0	-1	O=C(O)CCc1ccsc1	O=C([O-])CCc1ccsc1	mol12922	O=C(O)CCc1ccsc1
4.4499998	OCHEM	0	-1	O=C(O)CCc1ccsc1	O=C([O-])CCc1ccsc1	mol12922	O=C(O)CCc1ccsc1
4.44999980926514	QSARToolbox	0	-1	O=C(O)CCc1ccsc1	O=C([O-])CCc1ccsc1	mol12922	O=C(O)CCc1ccsc1