[
  {
    "molid": "mol38458",
    "smiles": "NCCCN(CCCN)CCCN",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NCCCN(CCCN)CCCN",
        "std_free_energy": 2.7070765495300293,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "NCCCN(CCCN)CCC[NH3+]",
        "std_free_energy": -5.759719371795654,
        "relative_population": 0.7404383811300336
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "NCCC[NH+](CCCN)CCCN",
        "std_free_energy": -4.711471080780029,
        "relative_population": 0.2595616188699665
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.5200004577637,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]