[
  {
    "molid": "mol36771",
    "smiles": "OC(c1ccccc1)C(Br)(Br)Br",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O[C@H](c1ccccc1)C(Br)(Br)Br",
        "std_free_energy": -7.071040153503418,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-][C@H](c1ccccc1)C(Br)(Br)Br",
        "std_free_energy": 5.906919956207275,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.960000038147,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]