[
  {
    "molid": "mol38339",
    "smiles": "C1CNCCOCCOCCNCCN1",
    "microspecies": [
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "C1C[NH2+]CCOCCOCC[NH2+]CCN1",
        "std_free_energy": -10.537467002868652,
        "relative_population": 0.8887445554282078
      },
      {
        "id": "2_2",
        "charge": 2,
        "smiles": "C1C[NH2+]CC[NH2+]CCOCCOCCN1",
        "std_free_energy": -8.45948600769043,
        "relative_population": 0.11125544457179218
      },
      {
        "id": "3_1",
        "charge": 3,
        "smiles": "C1C[NH2+]CCOCCOCC[NH2+]CC[NH2+]1",
        "std_free_energy": -7.103272438049316,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.29999995231628,
        "charge_state_pre": 3,
        "charge_state_post": 2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]