[
  {
    "molid": "mol38459",
    "smiles": "NCCCNCCCNCCCCCCCCCCNCCCNCCCN",
    "microspecies": [
      {
        "id": "5_1",
        "charge": 5,
        "smiles": "NCCC[NH2+]CCC[NH2+]CCCCCCCCCC[NH2+]CCC[NH2+]CCC[NH3+]",
        "std_free_energy": -15.898493766784668,
        "relative_population": 0.24219733281890685
      },
      {
        "id": "5_2",
        "charge": 5,
        "smiles": "[NH3+]CCC[NH2+]CCCNCCCCCCCCCC[NH2+]CCC[NH2+]CCC[NH3+]",
        "std_free_energy": -15.823110580444336,
        "relative_population": 0.22461091360279178
      },
      {
        "id": "5_3",
        "charge": 5,
        "smiles": "[NH3+]CCCNCCC[NH2+]CCCCCCCCCC[NH2+]CCC[NH2+]CCC[NH3+]",
        "std_free_energy": -16.6876220703125,
        "relative_population": 0.5331917535783014
      },
      {
        "id": "6_1",
        "charge": 6,
        "smiles": "[NH3+]CCC[NH2+]CCC[NH2+]CCCCCCCCCC[NH2+]CCC[NH2+]CCC[NH3+]",
        "std_free_energy": -18.124082565307617,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.05000019073486,
        "charge_state_pre": 6,
        "charge_state_post": 5,
        "data_source": "QSARToolbox"
      }
    ]
  }
]