[
  {
    "molid": "mol37259",
    "smiles": "COC(=O)CNC(=O)[C@H](C)N",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COC(=O)CNC(=O)[C@H](C)N",
        "std_free_energy": -4.259932994842529,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "COC(=O)CNC(=O)[C@H](C)[NH3+]",
        "std_free_energy": -7.907199382781982,
        "relative_population": 0.9978035344943615
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.02999973297119,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]