[
  {
    "molid": "mol36998",
    "smiles": "CCN(CC)c1ccc(N=Nc2nn(C)c[n+]2C)cc1",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCN(CC)c1ccc(N=Nc2nn(C)c[n+]2C)cc1",
        "std_free_energy": -3.1853420734405518,
        "relative_population": 1.0
      },
      {
        "id": "2_3",
        "charge": 2,
        "smiles": "CC[NH+](CC)c1ccc(N=Nc2nn(C)c[n+]2C)cc1",
        "std_free_energy": 5.462184906005859,
        "relative_population": 0.9936112045060969
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.25999999046326,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]