[
  {
    "molid": "mol1124",
    "smiles": "C[C@@H](N)Cc1ccc(O)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@@H]([NH3+])Cc1ccc([O-])cc1",
        "std_free_energy": -2.8673713207244873,
        "relative_population": 0.6455422741273026
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[C@@H](N)Cc1ccc(O)cc1",
        "std_free_energy": -2.267869710922241,
        "relative_population": 0.35445772587269747
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C[C@@H](N)Cc1ccc([O-])cc1",
        "std_free_energy": 5.967351913452148,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.7,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]