[
  {
    "molid": "mol37817",
    "smiles": "CC(C)C[C@H]1O[C@@H]2[C@@H]3CC[C@@H]([C@@H]2O1)[C@H](C(=O)O)[C@@H]3C(=O)O",
    "microspecies": [],
    "macro_pka_values": [
      {
        "pka_value": 5.19999980926514,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]