[
  {
    "molid": "mol37403",
    "smiles": "O=C(O)C[C@H](NC(=O)c1ccccc1)C(=O)O",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])C[C@H](NC(=O)c1ccccc1)C(=O)O",
        "std_free_energy": -8.634259223937988,
        "relative_population": 0.21595817820137508
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=C(O)C[C@H](NC(=O)c1ccccc1)C(=O)[O-]",
        "std_free_energy": -9.923005104064941,
        "relative_population": 0.783546688456059
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])C[C@H](NC(=O)c1ccccc1)C(=O)[O-]",
        "std_free_energy": -12.611245155334473,
        "relative_population": 0.9998876322419845
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.59999990463257,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]