[
  {
    "molid": "mol37510",
    "smiles": "Oc1ccc(Br)cc1C=Nc1ccccc1O",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]c1ccc(Br)cc1C=Nc1ccccc1O",
        "std_free_energy": -1.6861778497695923,
        "relative_population": 0.5567534148924356
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "[O-]c1ccccc1N=Cc1cc(Br)ccc1O",
        "std_free_energy": -1.457993745803833,
        "relative_population": 0.44316330470941623
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "[O-]c1ccc(Br)cc1C=Nc1ccccc1[O-]",
        "std_free_energy": 8.951204299926758,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.60000038146973,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]