[
  {
    "molid": "mol31737",
    "smiles": "O=C(O)C[C@@H](Br)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)C[C@@H](Br)C(=O)O",
        "std_free_energy": 0.26509153842926025,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C(O)C[C@@H](Br)C(=O)[O-]",
        "std_free_energy": -8.628893852233887,
        "relative_population": 0.5854321777124426
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])C[C@@H](Br)C(=O)O",
        "std_free_energy": -8.283780097961426,
        "relative_population": 0.4145678222875573
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.55,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]