[
  {
    "molid": "mol31391",
    "smiles": "CC(N)C(=O)N(C)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@@H]([NH3+])C(=O)N(C)[O-]",
        "std_free_energy": -3.200000524520874,
        "relative_population": 0.13962704205892168
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[C@@H](N)C(=O)N(C)O",
        "std_free_energy": -5.0183916091918945,
        "relative_population": 0.8603729579410784
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[C@@H]([NH3+])C(=O)N(C)O",
        "std_free_energy": -7.71065616607666,
        "relative_population": 0.9993599231344479
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.16,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]