[
  {
    "molid": "mol34576",
    "smiles": "C1CNCCCNCCNCCNC1",
    "microspecies": [
      {
        "id": "3_1",
        "charge": 3,
        "smiles": "C1CNCC[NH2+]CC[NH2+]CCC[NH2+]C1",
        "std_free_energy": -11.74380111694336,
        "relative_population": 0.32895415369988573
      },
      {
        "id": "3_2",
        "charge": 3,
        "smiles": "C1CNCCC[NH2+]CC[NH2+]CC[NH2+]C1",
        "std_free_energy": -10.52527904510498,
        "relative_population": 0.09726082805424449
      },
      {
        "id": "3_3",
        "charge": 3,
        "smiles": "C1C[NH2+]CCC[NH2+]CCNCC[NH2+]C1",
        "std_free_energy": -12.300137519836426,
        "relative_population": 0.5737850182458698
      },
      {
        "id": "4_1",
        "charge": 4,
        "smiles": "C1C[NH2+]CCC[NH2+]CC[NH2+]CC[NH2+]C1",
        "std_free_energy": -10.83340072631836,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.01000022888184,
        "charge_state_pre": 4,
        "charge_state_post": 3,
        "data_source": "QSARToolbox"
      }
    ]
  }
]