[
  {
    "molid": "mol36380",
    "smiles": "O=C(O)c1cc2ccc1CCc1ccc(c(Br)c1)CC2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)c1cc2ccc1CCc1ccc(c(Br)c1)CC2",
        "std_free_energy": -2.6172924041748047,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])c1cc2ccc1CCc1ccc(c(Br)c1)CC2",
        "std_free_energy": -9.793012619018555,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.28000020980835,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]