[
  {
    "molid": "mol36128",
    "smiles": "O=C(O)CN(CC(=O)O)Cc1cc(F)ccc1O",
    "microspecies": [
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "O=C([O-])CN(CC(=O)[O-])Cc1cc(F)ccc1[O-]",
        "std_free_energy": 1.712145447731018,
        "relative_population": 1.0
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "O=C([O-])CN(CC(=O)[O-])Cc1cc(F)ccc1O",
        "std_free_energy": -10.868497848510742,
        "relative_population": 0.9962655199380684
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 12.3000001907349,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "QSARToolbox"
      }
    ]
  }
]