[
  {
    "molid": "mol32493",
    "smiles": "CC(C)CC(N)C(=O)NC(CCC(N)=O)C(=O)O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CC(C)C[C@@H]([NH3+])C(=O)N[C@H](CCC(N)=O)C(=O)[O-]",
        "std_free_energy": -11.63904857635498,
        "relative_population": 0.9999615239285012
      },
      {
        "id": "1_4",
        "charge": 1,
        "smiles": "CC(C)C[C@@H]([NH3+])C(=O)N[C@H](CCC(N)=O)C(=O)O",
        "std_free_energy": -2.8517863750457764,
        "relative_population": 0.9634677610182215
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.99,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]