[
  {
    "molid": "mol37276",
    "smiles": "C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)CN)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)C[NH3+])C(=O)[O-]",
        "std_free_energy": -11.175524711608887,
        "relative_population": 0.9998968120887484
      },
      {
        "id": "1_6",
        "charge": 1,
        "smiles": "C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)C[NH3+])C(=O)O",
        "std_free_energy": -2.404622793197632,
        "relative_population": 0.9076851774001355
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.46000003814697,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]