[
  {
    "molid": "mol38041",
    "smiles": "C1CCCCNCCNCCNCCCCCCCCCNCCNCCNCCCC1",
    "microspecies": [
      {
        "id": "4_3",
        "charge": 4,
        "smiles": "C1CCCCNCCNCC[NH2+]CCCCCCCCC[NH2+]CC[NH2+]CC[NH2+]CCCC1",
        "std_free_energy": -13.692750930786133,
        "relative_population": 0.0526902595820452
      },
      {
        "id": "4_5",
        "charge": 4,
        "smiles": "C1CCCCNCC[NH2+]CC[NH2+]CCCCCCCCC[NH2+]CCNCC[NH2+]CCCC1",
        "std_free_energy": -15.266657829284668,
        "relative_population": 0.25425495140659904
      },
      {
        "id": "4_6",
        "charge": 4,
        "smiles": "C1CCCC[NH2+]CCNCC[NH2+]CCCCCCCCC[NH2+]CCNCC[NH2+]CCCC1",
        "std_free_energy": -16.1652774810791,
        "relative_population": 0.624503641799067
      },
      {
        "id": "5_2",
        "charge": 5,
        "smiles": "C1CCCC[NH2+]CCNCC[NH2+]CCCCCCCCC[NH2+]CC[NH2+]CC[NH2+]CCCC1",
        "std_free_energy": -15.215768814086914,
        "relative_population": 0.9529349782765548
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.15000009536743,
        "charge_state_pre": 5,
        "charge_state_post": 4,
        "data_source": "QSARToolbox"
      }
    ]
  }
]