[
  {
    "molid": "mol33214",
    "smiles": "N=C(N)NC(N)=NC1CCCCC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "N=C(N)NC(N)=NC1CCCCC1",
        "std_free_energy": 0.8590738773345947,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "N=C(N)NC(N)=[NH+]C1CCCCC1",
        "std_free_energy": -10.367873191833496,
        "relative_population": 0.48015826388777605
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "NC(=[NH2+])NC(N)=NC1CCCCC1",
        "std_free_energy": -10.447281837463379,
        "relative_population": 0.5198417361122238
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.3299999237061,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]