pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.82	Datawarrior	0	-1	O=c1cc(CO)occ1O	O=c1cc(CO)occ1[O-]	mol12902	O=c1cc(CO)occ1O
7.8200002	OCHEM	0	-1	O=c1cc(CO)occ1O	O=c1cc(CO)occ1[O-]	mol12902	O=c1cc(CO)occ1O
7.95	Baltruschat ChEMBL	0	-1	O=c1cc(CO)occ1O	O=c1cc(CO)occ1[O-]	mol12902	O=c1cc(CO)occ1O
7.75	QSARToolbox	0	-1	O=c1cc(CO)occ1O	O=c1cc(CO)occ1[O-]	mol12902	O=c1cc(CO)occ1O
7.90000009536743	QSARToolbox	0	-1	O=c1cc(CO)occ1O	O=c1cc(CO)occ1[O-]	mol12902	O=c1cc(CO)occ1O
7.68	AttenGpKa training set	0	-1	O=c1cc(CO)occ1O	O=c1cc(CO)occ1[O-]	mol12902	O=c1cc(CO)occ1O
9.39999961853027	QSARToolbox	-1	-2	O=c1cc(CO)occ1[O-]	O=c1cc([CH-][O-])occ1O	mol12902	O=c1cc(CO)occ1O