[
  {
    "molid": "mol37614",
    "smiles": "O=C(O)C1=NO[C@@H]2[C@H]1CN[C@H]2C(=O)O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=C([O-])C1=NO[C@@H]2[C@H]1C[NH2+][C@H]2C(=O)O",
        "std_free_energy": -4.2101664543151855,
        "relative_population": 0.05744840662214579
      },
      {
        "id": "0_4",
        "charge": 0,
        "smiles": "O=C(O)C1=NO[C@@H]2[C@H]1C[NH2+][C@H]2C(=O)[O-]",
        "std_free_energy": -6.97407341003418,
        "relative_population": 0.9112289879742165
      },
      {
        "id": "-1_4",
        "charge": -1,
        "smiles": "O=C([O-])C1=NO[C@@H]2[C@H]1C[NH2+][C@H]2C(=O)[O-]",
        "std_free_energy": -14.051570892333984,
        "relative_population": 0.9924186711460093
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.59999990463257,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]