[
  {
    "molid": "mol36974",
    "smiles": "O=C(c1ccc(Br)cc1)N(O)c1cccc(Cl)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(c1ccc(Br)cc1)N(O)c1cccc(Cl)c1",
        "std_free_energy": -5.548843860626221,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C(c1ccc(Br)cc1)N([O-])c1cccc(Cl)c1",
        "std_free_energy": -3.0655384063720703,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.30000019073486,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]