[
  {
    "molid": "mol28430",
    "smiles": "Nc1ccc(O)c2c1C(=O)c1ccccc1C2=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1ccc(O)c2c1C(=O)c1ccccc1C2=O",
        "std_free_energy": -6.10763692855835,
        "relative_population": 0.9999999498514256
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Nc1ccc([O-])c2c1C(=O)c1ccccc1C2=O",
        "std_free_energy": -1.0395090579986572,
        "relative_population": 0.9036026275127382
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "[NH-]c1ccc(O)c2c1C(=O)c1ccccc1C2=O",
        "std_free_energy": 1.198401689529419,
        "relative_population": 0.09639737248726177
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.925,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]