[
  {
    "molid": "mol36092",
    "smiles": "O=C(O)CCC(N=Cc1ccccc1O)C(=O)O",
    "microspecies": [
      {
        "id": "-1_6",
        "charge": -1,
        "smiles": "O=C([O-])CC[C@H]([NH+]=Cc1ccccc1O)C(=O)[O-]",
        "std_free_energy": -13.399043083190918,
        "relative_population": 0.9717030847321464
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "O=C([O-])CC[C@H](N=Cc1ccccc1O)C(=O)[O-]",
        "std_free_energy": -10.157084465026855,
        "relative_population": 0.9821956236937792
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.78999996185303,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]