[
  {
    "molid": "mol38043",
    "smiles": "C1CNCCNCCOCCOCCNC1",
    "microspecies": [
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "C1C[NH2+]CCNCCOCCOCC[NH2+]C1",
        "std_free_energy": -10.33985710144043,
        "relative_population": 0.09419092613781369
      },
      {
        "id": "2_3",
        "charge": 2,
        "smiles": "C1CNCC[NH2+]CCOCCOCC[NH2+]C1",
        "std_free_energy": -12.591506958007812,
        "relative_population": 0.8951342508801001
      },
      {
        "id": "3_1",
        "charge": 3,
        "smiles": "C1C[NH2+]CC[NH2+]CCOCCOCC[NH2+]C1",
        "std_free_energy": -10.099536895751953,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.05999994277954,
        "charge_state_pre": 3,
        "charge_state_post": 2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]