[
  {
    "molid": "mol35639",
    "smiles": "CCN(CC)CCOC(=O)Nc1ccc(C)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCN(CC)CCOC(=O)Nc1ccc(C)cc1",
        "std_free_energy": -3.921684980392456,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CC[NH+](CC)CCOC(=O)Nc1ccc(C)cc1",
        "std_free_energy": -8.718817710876465,
        "relative_population": 0.9977206044782556
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.85000038146973,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]