[
  {
    "molid": "mol37239",
    "smiles": "CC(C)C[C@](O)(C[C@H](N)C(=O)O)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)C[C@](O)(C[C@H]([NH3+])C(=O)O)C(=O)[O-]",
        "std_free_energy": -6.909664630889893,
        "relative_population": 0.21907559880440455
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CC(C)C[C@](O)(C[C@H]([NH3+])C(=O)[O-])C(=O)O",
        "std_free_energy": -8.18016529083252,
        "relative_population": 0.7804865679103385
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC(C)C[C@](O)(C[C@H]([NH3+])C(=O)O)C(=O)O",
        "std_free_energy": 0.3600656986236572,
        "relative_population": 0.8773581310850589
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "CC(C)C[C@]([OH2+])(C[C@H](N)C(=O)O)C(=O)O",
        "std_free_energy": 2.499767303466797,
        "relative_population": 0.10325623975205826
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.70000004768372,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]