[
  {
    "molid": "mol35668",
    "smiles": "CCN1CCOCCN(C)CCOCCN(C)CCOCC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCN1CCOCCN(C)CCOCCN(C)CCOCC1",
        "std_free_energy": -1.1931123733520508,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC[NH+]1CCOCCN(C)CCOCCN(C)CCOCC1",
        "std_free_energy": -7.168829917907715,
        "relative_population": 0.4995307923740599
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCN1CCOCCN(C)CCOCC[NH+](C)CCOCC1",
        "std_free_energy": -7.170706748962402,
        "relative_population": 0.50046920762594
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.7799997329712,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]