[
  {
    "molid": "mol32461",
    "smiles": "O=c1[nH]c(O)c(Br)c[n+]1C1OC(CO)C(O)C1O",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "O=c1[n-]c(O)c(Br)c[n+]1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O",
        "std_free_energy": -3.9766058921813965,
        "relative_population": 0.2786246903886977
      },
      {
        "id": "0_5",
        "charge": 0,
        "smiles": "O=c1[nH]c([O-])c(Br)c[n+]1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O",
        "std_free_energy": -4.927894592285156,
        "relative_population": 0.7213715861488991
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "O=c1[nH]c(O)c(Br)c[n+]1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O",
        "std_free_energy": 8.279714584350586,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -0.89999998,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]