[
  {
    "molid": "mol31542",
    "smiles": "C/C(=N\\O)c1ccccc1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C/C(=N\\O)c1ccccc1O",
        "std_free_energy": -7.1484880447387695,
        "relative_population": 0.9999903968571541
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C/C(=N\\O)c1ccccc1[O-]",
        "std_free_energy": -0.5847944021224976,
        "relative_population": 0.9118586491328949
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "C/C(=N\\[O-])c1ccccc1O",
        "std_free_energy": 1.75174880027771,
        "relative_population": 0.08814135086710506
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.2,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]