[
  {
    "molid": "mol26042",
    "smiles": "O=C(O)Cn1nnnc1-c1cccc(Br)c1",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "O=C(O)Cn1nnnc1-c1cccc(Br)c1",
        "std_free_energy": -1.8862969875335693,
        "relative_population": 0.9999450661917202
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])Cn1nnnc1-c1cccc(Br)c1",
        "std_free_energy": -12.191285133361816,
        "relative_population": 0.9999874333571506
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.14000010490417,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]