[
  {
    "molid": "mol35689",
    "smiles": "C[N+]12CN3CN(CP(C3)C1)C2",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[N+]12CN3CN(CP(C3)C1)C2",
        "std_free_energy": -6.214622497558594,
        "relative_population": 1.0
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "C[N+]12CN3C[NH+](CP(C3)C1)C2",
        "std_free_energy": 4.4118499755859375,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.8899998664856,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]