[
  {
    "molid": "mol36321",
    "smiles": "O=C(O)[C@@H]1CC[C@@H](C(=O)O)NC1",
    "microspecies": [
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])[NH2+]C1",
        "std_free_energy": -14.67674732208252,
        "relative_population": 0.9997550038432275
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])NC1",
        "std_free_energy": -6.170747756958008,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.0500001907349,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]