pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.13	Datawarrior	0	-1	CC(C)[C@@H](O)[C@@H](C(=O)O)c1ccc(-c2ccccc2)cc1	CC(C)[C@@H](O)[C@@H](C(=O)[O-])c1ccc(-c2ccccc2)cc1	mol15364	CC(C)C(O)C(C(=O)O)c1ccc(-c2ccccc2)cc1
4.1300001	OCHEM	0	-1	CC(C)[C@@H](O)[C@@H](C(=O)O)c1ccc(-c2ccccc2)cc1	CC(C)[C@@H](O)[C@@H](C(=O)[O-])c1ccc(-c2ccccc2)cc1	mol15364	CC(C)C(O)C(C(=O)O)c1ccc(-c2ccccc2)cc1
4.13000011444092	QSARToolbox	0	-1	CC(C)[C@@H](O)[C@@H](C(=O)O)c1ccc(-c2ccccc2)cc1	CC(C)[C@@H](O)[C@@H](C(=O)[O-])c1ccc(-c2ccccc2)cc1	mol15364	CC(C)C(O)C(C(=O)O)c1ccc(-c2ccccc2)cc1