[
  {
    "molid": "mol31630",
    "smiles": "CO/N=C1/C=C/C(=N\\O)C=C1Br",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CO/N=C1/C=C/C(=N\\O)C=C1Br",
        "std_free_energy": -7.082908630371094,
        "relative_population": 0.9999995092700681
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CO/N=C1/C=C/C(=N\\[O-])C=C1Br",
        "std_free_energy": -1.3277021646499634,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.7,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]