[
  {
    "molid": "mol9609",
    "smiles": "O=C1C(O)=C(Br)C(=O)C(O)=C1Br",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1C(O)=C(Br)C(=O)C(O)=C1Br",
        "std_free_energy": 0.8692518472671509,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1C(O)=C(Br)C(=O)C([O-])=C1Br",
        "std_free_energy": -6.642842769622803,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C1C([O-])=C(Br)C(=O)C([O-])=C1Br",
        "std_free_energy": -0.06860387325286865,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 0.8,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 0.7,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 3.1,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]