[
  {
    "molid": "mol28701",
    "smiles": "Nc1c(Br)cc(O)c2c1C(=O)c1ccccc1C2=O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Nc1c(Br)cc(O)c2c1C(=O)c1ccccc1C2=O",
        "std_free_energy": -5.389869689941406,
        "relative_population": 0.9999999396083872
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[NH-]c1c(Br)cc(O)c2c1C(=O)c1ccccc1C2=O",
        "std_free_energy": -0.3560068607330322,
        "relative_population": 0.07427744009952862
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Nc1c(Br)cc([O-])c2c1C(=O)c1ccccc1C2=O",
        "std_free_energy": -2.8787741661071777,
        "relative_population": 0.9257225599004714
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.104,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]