pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.11999988555908	QSARToolbox	0	-1	C[C@]12C[C@](C(=O)O)(C1)C2	C[C@]12C[C@](C(=O)[O-])(C1)C2	mol22233	CC12CC(C(=O)O)(C1)C2
4.12	AttenGpKa training set	0	-1	C[C@]12C[C@](C(=O)O)(C1)C2	C[C@]12C[C@](C(=O)[O-])(C1)C2	mol22233	CC12CC(C(=O)O)(C1)C2