[
  {
    "molid": "mol22952",
    "smiles": "O=C(O)c1ccc(O)c(Br)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)c1ccc(O)c(Br)c1",
        "std_free_energy": -2.8174920082092285,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])c1ccc(O)c(Br)c1",
        "std_free_energy": -8.39673900604248,
        "relative_population": 0.9841949208590275
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.24,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]