pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.77	OCHEM	0	-1	C[C@]12CC[C@H]3C(=CCc4cc(O)ccc43)[C@@H]1CC[C@@H]2O	C[C@]12CC[C@H]3C(=CCc4cc([O-])ccc43)[C@@H]1CC[C@@H]2O	mol31821	C[C@]12CC[C@H]3C(=CCc4cc(O)ccc43)[C@@H]1CC[C@@H]2O