[
  {
    "molid": "mol36464",
    "smiles": "CN1CCCN(C)CCOCCN(C)CCC1",
    "microspecies": [
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "CN1CCC[NH+](C)CCC[NH+](C)CCOCC1",
        "std_free_energy": -9.211538314819336,
        "relative_population": 0.2366190618264019
      },
      {
        "id": "2_2",
        "charge": 2,
        "smiles": "CN1CCC[NH+](C)CCOCC[NH+](C)CCC1",
        "std_free_energy": -10.382843971252441,
        "relative_population": 0.7633809381735981
      },
      {
        "id": "3_1",
        "charge": 3,
        "smiles": "C[NH+]1CCC[NH+](C)CCOCC[NH+](C)CCC1",
        "std_free_energy": -12.390796661376953,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.36999988555908,
        "charge_state_pre": 3,
        "charge_state_post": 2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]