[
  {
    "molid": "mol37764",
    "smiles": "NC1CCCCC1CCN1CCCCC1",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH3+][C@@H]1CCCC[C@@H]1CCN1CCCCC1",
        "std_free_energy": -7.649764537811279,
        "relative_population": 0.5139301719356054
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "N[C@@H]1CCCC[C@@H]1CC[NH+]1CCCCC1",
        "std_free_energy": -7.594029426574707,
        "relative_population": 0.48606982806439464
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "[NH3+][C@@H]1CCCC[C@@H]1CC[NH+]1CCCCC1",
        "std_free_energy": -11.826828002929688,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.47000026702881,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 6.25,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]