[
  {
    "molid": "mol34181",
    "smiles": "COc1cccc(OC(O)(CBr)c2ccccc2)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1cccc(O[C@@](O)(CBr)c2ccccc2)c1",
        "std_free_energy": -6.523049354553223,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1cccc(O[C@@]([O-])(CBr)c2ccccc2)c1",
        "std_free_energy": 4.208580017089844,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.1000003814697,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 11.1199998855591,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]