[
  {
    "molid": "mol38605",
    "smiles": "NC(CO)C(=O)NC(Cc1ccccc1)C(=O)O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "[NH3+][C@H](CO)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-]",
        "std_free_energy": -10.696586608886719,
        "relative_population": 0.9997067315393364
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "[NH3+][C@H](CO)C(=O)N[C@H](Cc1ccccc1)C(=O)O",
        "std_free_energy": -2.3440613746643066,
        "relative_population": 0.9830311423764188
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.9300000667572,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]