pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.11	Datawarrior	0	-1	CC1=C(O)C(O)=CC1	CC1=C(O)C([O-])=CC1,Cc1[cH-]cc(O)c1O,CC1=C([O-])C(O)=CC1	mol12335	CC1=C(O)C(O)=CC1
9.1099997	OCHEM	0	-1	CC1=C(O)C(O)=CC1	CC1=C(O)C([O-])=CC1,Cc1[cH-]cc(O)c1O,CC1=C([O-])C(O)=CC1	mol12335	CC1=C(O)C(O)=CC1
9.10999965667725	QSARToolbox	0	-1	CC1=C(O)C(O)=CC1	CC1=C(O)C([O-])=CC1,Cc1[cH-]cc(O)c1O,CC1=C([O-])C(O)=CC1	mol12335	CC1=C(O)C(O)=CC1