pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.54	Datawarrior	0	-1	O=C(O)C1=C(CO)CCC1	O=C([O-])C1=C(CO)CCC1	mol12945	O=C(O)C1=C(CO)CCC1
4.53999996185303	QSARToolbox	0	-1	O=C(O)C1=C(CO)CCC1	O=C([O-])C1=C(CO)CCC1	mol12945	O=C(O)C1=C(CO)CCC1