[
  {
    "molid": "mol37402",
    "smiles": "CNC(=O)CNC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)CNC(C)=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CNC(=O)CNC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)CNC(C)=O",
        "std_free_energy": -3.6241934299468994,
        "relative_population": 1.0
      },
      {
        "id": "-1_6",
        "charge": -1,
        "smiles": "CNC(=O)CNC(=O)CNC(=O)[C@H](CC(=O)[O-])NC(=O)CNC(C)=O",
        "std_free_energy": -9.954554557800293,
        "relative_population": 0.9996723975003682
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.09999990463257,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]