[
  {
    "molid": "mol35943",
    "smiles": "O=NN1CCCC[C@H]1c1cccnc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=NN1CCCC[C@H]1c1cccnc1",
        "std_free_energy": -6.224854469299316,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "O=NN1CCCC[C@H]1c1ccc[nH+]c1",
        "std_free_energy": -1.421175241470337,
        "relative_population": 0.40430616576685213
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "O=N[NH+]1CCCC[C@H]1c1cccnc1",
        "std_free_energy": -1.808729648590088,
        "relative_population": 0.5956938342331479
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.59999990463257,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]