pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.1399998664856	QSARToolbox	0	-1	O=C(O)Cc1ccc([C@H](CC(=O)O)c2ccccc2)cc1	O=C([O-])Cc1ccc([C@H](CC(=O)O)c2ccccc2)cc1,O=C([O-])C[C@H](c1ccccc1)c1ccc(CC(=O)O)cc1	mol36090	O=C(O)Cc1ccc(C(CC(=O)O)c2ccccc2)cc1