pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.57	Datawarrior	1	0	C[n+]1ccccc1C(C)(O)O	C[n+]1ccccc1C(C)([O-])O,[CH2-][n+]1ccccc1C(C)(O)O	mol14227	C[n+]1ccccc1C(C)(O)O
10.5699996948242	QSARToolbox	1	0	C[n+]1ccccc1C(C)(O)O	C[n+]1ccccc1C(C)([O-])O,[CH2-][n+]1ccccc1C(C)(O)O	mol14227	C[n+]1ccccc1C(C)(O)O