[
  {
    "molid": "mol37404",
    "smiles": "O=C(O)C[C@H](NC(=O)c1ccccc1O)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)C[C@H](NC(=O)c1ccccc1O)C(=O)O",
        "std_free_energy": -1.4680297374725342,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])C[C@H](NC(=O)c1ccccc1O)C(=O)O",
        "std_free_energy": -8.421724319458008,
        "relative_population": 0.33494134192709707
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=C(O)C[C@H](NC(=O)c1ccccc1O)C(=O)[O-]",
        "std_free_energy": -9.100812911987305,
        "relative_population": 0.6605309691504938
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.9300000667572,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]