[
  {
    "molid": "mol36798",
    "smiles": "O=C1C(O)Oc2ccccc2N1O",
    "microspecies": [
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=C1[C@@H](O)Oc2ccccc2N1[O-]",
        "std_free_energy": -3.6601645946502686,
        "relative_population": 0.9623823764202654
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C1[C-]([O-])Oc2ccccc2N1O",
        "std_free_energy": 2.505767345428467,
        "relative_population": 0.9620540224627355
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.5500001907349,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]