pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.67	Datawarrior	0	-1	Cc1cc([C@H](CC(=O)O)c2ccccc2)ccc1O	Cc1cc([C@H](CC(=O)[O-])c2ccccc2)ccc1O	mol15454	Cc1cc(C(CC(=O)O)c2ccccc2)ccc1O
4.6700001	OCHEM	0	-1	Cc1cc([C@H](CC(=O)O)c2ccccc2)ccc1O	Cc1cc([C@H](CC(=O)[O-])c2ccccc2)ccc1O	mol15454	Cc1cc(C(CC(=O)O)c2ccccc2)ccc1O
4.67000007629395	QSARToolbox	0	-1	Cc1cc([C@H](CC(=O)O)c2ccccc2)ccc1O	Cc1cc([C@H](CC(=O)[O-])c2ccccc2)ccc1O	mol15454	Cc1cc(C(CC(=O)O)c2ccccc2)ccc1O