[
  {
    "molid": "mol29448",
    "smiles": "CC(C)CC(N)C(=O)NC(C(=O)O)C(C)C",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CC(C)C[C@H]([NH3+])C(=O)N[C@H](C(=O)[O-])C(C)C",
        "std_free_energy": -11.253413200378418,
        "relative_population": 0.9999224481579375
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(C)C[C@H](N)C(=O)N[C@H](C(=O)[O-])C(C)C",
        "std_free_energy": -8.098093032836914,
        "relative_population": 0.9999920828976393
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.36,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]