[
  {
    "molid": "mol33962",
    "smiles": "O=C(O)CN(CC(=O)O)C1C(=O)NC(=O)NC1=O",
    "microspecies": [
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "O=C([O-])CN(CC(=O)[O-])C1C(=O)[N-]C(=O)NC1=O",
        "std_free_energy": -5.356829643249512,
        "relative_population": 0.8167064718577871
      },
      {
        "id": "-3_3",
        "charge": -3,
        "smiles": "O=C([O-])CN(CC(=O)[O-])[c-]1c(=O)[nH]c(=O)[nH]c1=O",
        "std_free_energy": -3.8572797775268555,
        "relative_population": 0.1823138931248901
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])C[NH+](CC(=O)[O-])C1C(=O)NC(=O)NC1=O",
        "std_free_energy": -12.08747386932373,
        "relative_population": 0.9541003401781079
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])CN(CC(=O)[O-])C1C(=O)NC(=O)NC1=O",
        "std_free_energy": -12.615303039550781,
        "relative_population": 0.9988326058880869
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.09999990463257,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 1.89999997615814,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 10.3299999237061,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "QSARToolbox"
      }
    ]
  }
]