[
  {
    "molid": "mol37542",
    "smiles": "O=C1CC(c2ccc(O)cc2)Oc2cc(O)ccc21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)ccc21",
        "std_free_energy": -5.607388496398926,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1C[C@@H](c2ccc(O)cc2)Oc2cc([O-])ccc21",
        "std_free_energy": -2.2169554233551025,
        "relative_population": 0.70614229516863
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C1C[C@@H](c2ccc([O-])cc2)Oc2cc(O)ccc21",
        "std_free_energy": -1.3391436338424683,
        "relative_population": 0.29353737656231393
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.78999996185303,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]