[
  {
    "molid": "mol31695",
    "smiles": "C[C@@H](O)[C@@H](N)C(=O)O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[C@@H](O)[C@@H]([NH3+])C(=O)[O-]",
        "std_free_energy": -11.9833345413208,
        "relative_population": 0.9999555905835287
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[C@@H](O)[C@@H]([NH3+])C(=O)O",
        "std_free_energy": -1.8128806352615356,
        "relative_population": 0.9884758546057613
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C[C@@H](O)[C@@H](N)C(=O)[O-]",
        "std_free_energy": -6.779585838317871,
        "relative_population": 0.9999998872882623
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.1,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 2.09,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]