[
  {
    "molid": "mol38380",
    "smiles": "CN(C)CCN(C)C(=O)COC(=O)c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)CCN(C)C(=O)COC(=O)c1ccccc1",
        "std_free_energy": -4.324031829833984,
        "relative_population": 1.0
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "CN(CC[NH+](C)C)C(=O)COC(=O)c1ccccc1",
        "std_free_energy": -7.3706769943237305,
        "relative_population": 0.9973704614899142
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.0,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]