[
  {
    "molid": "mol37603",
    "smiles": "O=C1C=CN2C[C@@H]3C[C@@H](CN4CCCC[C@@H]34)[C@H]2C1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1C=CN2C[C@@H]3C[C@@H](CN4CCCC[C@@H]34)[C@H]2C1",
        "std_free_energy": -2.7270123958587646,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "O=C1C=CN2C[C@@H]3C[C@@H](C[NH+]4CCCC[C@@H]34)[C@H]2C1",
        "std_free_energy": -9.450753211975098,
        "relative_population": 0.9488157606136137
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "O=C1C=C[NH+]2C[C@@H]3C[C@@H](CN4CCCC[C@@H]34)[C@H]2C1",
        "std_free_energy": -6.523575782775879,
        "relative_population": 0.050807155959499195
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.25,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]