[
  {
    "molid": "mol34182",
    "smiles": "OC(CBr)(Oc1ccc(Cl)cc1)c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O[C@](CBr)(Oc1ccc(Cl)cc1)c1ccccc1",
        "std_free_energy": -6.383362293243408,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-][C@](CBr)(Oc1ccc(Cl)cc1)c1ccccc1",
        "std_free_energy": 4.086466312408447,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.1000003814697,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 11.0699996948242,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]