pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.4	Datawarrior	0	-1	O=C(O)/C=C(\I)c1ccccc1	O=C([O-])/C=C(\I)c1ccccc1	mol12528	O=C(O)/C=C(\I)c1ccccc1
3.40000009536743	QSARToolbox	0	-1	O=C(O)/C=C(\I)c1ccccc1	O=C([O-])/C=C(\I)c1ccccc1	mol12528	O=C(O)/C=C(\I)c1ccccc1