[
  {
    "molid": "mol14735",
    "smiles": "O=C(O)c1cc(O)nc(=O)n1[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])c1cc(O)nc(=O)n1[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O",
        "std_free_energy": -10.28250503540039,
        "relative_population": 0.9958924510323078
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])c1cc([O-])nc(=O)n1[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O",
        "std_free_energy": -3.0469231605529785,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.0,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "Datawarrior"
      }
    ]
  }
]