[
  {
    "molid": "mol37809",
    "smiles": "O=C1[C@@H]2C[C@@H](CN3CCCC[C@H]23)[C@@H]2CCCCN12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1[C@@H]2C[C@@H](CN3CCCC[C@H]23)[C@@H]2CCCCN12",
        "std_free_energy": -4.553417682647705,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "O=C1[C@@H]2C[C@@H](C[NH+]3CCCC[C@H]23)[C@@H]2CCCCN12",
        "std_free_energy": -7.907882213592529,
        "relative_population": 0.9976977207315766
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.69999980926514,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]