[
  {
    "molid": "mol6869",
    "smiles": "CC1CC(c2ccccc2)=NN1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@H]1CC(c2ccccc2)=NN1",
        "std_free_energy": -4.495823860168457,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[C@H]1CC(c2ccccc2)=[NH+]N1",
        "std_free_energy": -3.138350248336792,
        "relative_population": 0.6214510611632623
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[C@H]1CC(c2ccccc2)=N[NH2+]1",
        "std_free_energy": -2.6426384449005127,
        "relative_population": 0.3785489388367377
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.17,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]