[
  {
    "molid": "mol33578",
    "smiles": "CCCCN(CCCC)CCOC(=O)c1ccc(N)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCCN(CCCC)CCOC(=O)c1ccc(N)cc1",
        "std_free_energy": -4.325679779052734,
        "relative_population": 1.0
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "CCCC[NH+](CCCC)CCOC(=O)c1ccc(N)cc1",
        "std_free_energy": -8.276530265808105,
        "relative_population": 0.9905532239879677
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.96,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 8.96000003814697,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]