[
  {
    "molid": "mol36796",
    "smiles": "O=C1C(O)Oc2cc(F)ccc2N1O",
    "microspecies": [
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=C1[C@H](O)Oc2cc(F)ccc2N1[O-]",
        "std_free_energy": -3.811434268951416,
        "relative_population": 0.9712169871288013
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C1[C-]([O-])Oc2cc(F)ccc2N1O",
        "std_free_energy": 1.3357276916503906,
        "relative_population": 0.9777866214407646
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.1000003814697,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]