[
  {
    "molid": "mol37092",
    "smiles": "NC(=O)CNC(c1ccccc1)C(C=O)C=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NC(=O)CN[C@@H](c1ccccc1)C(C=O)C=O",
        "std_free_energy": -5.365301609039307,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "NC(=O)CN[C@@H](c1ccccc1)[C-](C=O)C=O",
        "std_free_energy": 0.6907073259353638,
        "relative_population": 0.9066117379850965
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "[NH-]C(=O)CN[C@@H](c1ccccc1)C(C=O)C=O",
        "std_free_energy": 2.963655948638916,
        "relative_population": 0.09338826201490347
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.39000034332275,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]