[
  {
    "molid": "mol7104",
    "smiles": "CN(N=O)c1cncnc1N",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(N=O)c1cncnc1N",
        "std_free_energy": -6.787518501281738,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CN(N=O)c1c[nH+]cnc1N",
        "std_free_energy": 0.23672771453857422,
        "relative_population": 0.34740313060175315
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[NH+](N=O)c1cncnc1N",
        "std_free_energy": 0.7645111083984375,
        "relative_population": 0.20493697061040098
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "CN(N=O)c1cnc[nH+]c1N",
        "std_free_energy": 0.5480839610099792,
        "relative_population": 0.25445642895876025
      },
      {
        "id": "1_4",
        "charge": 1,
        "smiles": "CN(N=O)c1cncnc1[NH3+]",
        "std_free_energy": 0.8234696984291077,
        "relative_population": 0.19320346982908565
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.64,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]