[
  {
    "molid": "mol36803",
    "smiles": "O=C(O)CN(CC(=O)O)CC(O)CO",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)CN(CC(=O)O)C[C@H](O)CO",
        "std_free_energy": -2.2869861125946045,
        "relative_population": 0.06535452857259527
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=C([O-])C[NH+](CC(=O)O)C[C@H](O)CO",
        "std_free_energy": -4.94732666015625,
        "relative_population": 0.9346454714274047
      },
      {
        "id": "-1_4",
        "charge": -1,
        "smiles": "O=C([O-])C[NH+](CC(=O)[O-])C[C@H](O)CO",
        "std_free_energy": -14.015644073486328,
        "relative_population": 0.9866650662551878
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.11999988555908,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]