pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.5	Datawarrior	0	-1	O=C1Oc2ccccc2C(=O)[C@@H]1C[C@H]1C(=O)Oc2ccccc2C1=O	O=C1Oc2ccccc2C(=O)[C@@H]1C[c-]1c(=O)oc2ccccc2c1=O	mol15300	O=C1Oc2ccccc2C(=O)C1CC1C(=O)Oc2ccccc2C1=O