pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.18	Datawarrior	0	-1	O=C(O)c1coc2ccccc12	O=C([O-])c1coc2ccccc12	mol12742	O=C(O)c1coc2ccccc12
4.1799998	OCHEM	0	-1	O=C(O)c1coc2ccccc12	O=C([O-])c1coc2ccccc12	mol12742	O=C(O)c1coc2ccccc12
4.17999982833862	QSARToolbox	0	-1	O=C(O)c1coc2ccccc12	O=C([O-])c1coc2ccccc12	mol12742	O=C(O)c1coc2ccccc12