[
  {
    "molid": "mol37523",
    "smiles": "Oc1ccc(Nc2ccc(O)c(Br)c2)cc1",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "Oc1ccc(Nc2ccc(O)c(Br)c2)cc1",
        "std_free_energy": -6.843115329742432,
        "relative_population": 0.9999959680538315
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "[O-]c1ccc(Nc2ccc(O)c(Br)c2)cc1",
        "std_free_energy": -0.546119749546051,
        "relative_population": 0.22222392498436502
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "[O-]c1ccc(Nc2ccc(O)cc2)cc1Br",
        "std_free_energy": -1.7988653182983398,
        "relative_population": 0.7777702043258116
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.52000045776367,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]