pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.19	Datawarrior	0	-1	Cc1ccccc1[C@H](O)[C@H](C(=O)O)c1ccc(-c2ccccc2)cc1	Cc1ccccc1[C@H](O)[C@H](C(=O)[O-])c1ccc(-c2ccccc2)cc1	mol15325	Cc1ccccc1C(O)C(C(=O)O)c1ccc(-c2ccccc2)cc1
4.1900001	OCHEM	0	-1	Cc1ccccc1[C@H](O)[C@H](C(=O)O)c1ccc(-c2ccccc2)cc1	Cc1ccccc1[C@H](O)[C@H](C(=O)[O-])c1ccc(-c2ccccc2)cc1	mol15325	Cc1ccccc1C(O)C(C(=O)O)c1ccc(-c2ccccc2)cc1
4.19000005722046	QSARToolbox	0	-1	Cc1ccccc1[C@H](O)[C@H](C(=O)O)c1ccc(-c2ccccc2)cc1	Cc1ccccc1[C@H](O)[C@H](C(=O)[O-])c1ccc(-c2ccccc2)cc1	mol15325	Cc1ccccc1C(O)C(C(=O)O)c1ccc(-c2ccccc2)cc1