[
  {
    "molid": "mol32881",
    "smiles": "CC(C)(c1ccc(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(C)(c1ccc(O)c(Br)c1)c1cc(Br)c([O-])c(Br)c1",
        "std_free_energy": -4.75205659866333,
        "relative_population": 0.8056761643266226
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(C)(c1ccc([O-])c(Br)c1)c1cc(Br)c(O)c(Br)c1",
        "std_free_energy": -3.3299007415771484,
        "relative_population": 0.19432383567337735
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CC(C)(c1ccc([O-])c(Br)c1)c1cc(Br)c([O-])c(Br)c1",
        "std_free_energy": 5.072454452514648,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.8,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "OCHEM"
      }
    ]
  }
]