[
  {
    "molid": "mol29311",
    "smiles": "CCOC(=O)[C@@H](N)CO",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCOC(=O)[C@@H](N)CO",
        "std_free_energy": -4.874541759490967,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCOC(=O)[C@@H]([NH3+])CO",
        "std_free_energy": -6.7905731201171875,
        "relative_population": 0.9973882258969208
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.15,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]