[
  {
    "molid": "mol15119",
    "smiles": "O=C1OC2C3CC4C2C4(C(=O)O)C13Br",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)[C@@]12[C@H]3[C@H]4OC(=O)[C@]1(Br)[C@H]4C[C@H]32",
        "std_free_energy": -2.442312002182007,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])[C@@]12[C@H]3[C@H]4OC(=O)[C@]1(Br)[C@H]4C[C@H]32",
        "std_free_energy": -9.361621856689453,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      }
    ]
  }
]