[
  {
    "molid": "mol37612",
    "smiles": "CN1C[C@@H]2[C@H](C1)[C@@H]2N1CCN([C@@H]2[C@@H]3CN(C)C[C@@H]32)CC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN1C[C@@H]2[C@H](C1)[C@@H]2N1CCN([C@@H]2[C@@H]3CN(C)C[C@@H]32)CC1",
        "std_free_energy": -0.07664848119020462,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CN1C[C@@H]2[C@H](C1)[C@@H]2N1CC[NH+]([C@@H]2[C@@H]3CN(C)C[C@@H]32)CC1",
        "std_free_energy": -7.1619744300842285,
        "relative_population": 0.42182439301679314
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CN1C[C@@H]2[C@H](C1)[C@@H]2N1CCN([C@@H]2[C@@H]3C[NH+](C)C[C@@H]32)CC1",
        "std_free_energy": -7.4772629737854,
        "relative_population": 0.5781756069832069
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.6499996185303,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]