[
  {
    "molid": "mol36006",
    "smiles": "O=C(O)CC(O)(CC(=O)O)C(=O)Nc1ccccc1",
    "microspecies": [
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=C([O-])CC(O)(CC(=O)O)C(=O)Nc1ccccc1",
        "std_free_energy": -8.516012191772461,
        "relative_population": 0.9987652137895
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "O=C([O-])CC(O)(CC(=O)[O-])C(=O)Nc1ccccc1",
        "std_free_energy": -11.50628662109375,
        "relative_population": 0.9998534074179707
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.19000005722046,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]