[
  {
    "molid": "mol34180",
    "smiles": "COc1ccc(OC(O)(CBr)c2ccccc2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1ccc(O[C@@](O)(CBr)c2ccccc2)cc1",
        "std_free_energy": -6.618321895599365,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1ccc(O[C@@]([O-])(CBr)c2ccccc2)cc1",
        "std_free_energy": 4.285228729248047,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.1999998092651,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 11.2299995422363,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]