pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.63	Datawarrior	0	-1	Cc1cccc(O)c1C(=O)Oc1ccccc1	Cc1cccc([O-])c1C(=O)Oc1ccccc1	mol15139	Cc1cccc(O)c1C(=O)Oc1ccccc1
8.6300001	OCHEM	0	-1	Cc1cccc(O)c1C(=O)Oc1ccccc1	Cc1cccc([O-])c1C(=O)Oc1ccccc1	mol15139	Cc1cccc(O)c1C(=O)Oc1ccccc1
8.63000011444092	QSARToolbox	0	-1	Cc1cccc(O)c1C(=O)Oc1ccccc1	Cc1cccc([O-])c1C(=O)Oc1ccccc1	mol15139	Cc1cccc(O)c1C(=O)Oc1ccccc1
