[
  {
    "molid": "mol8350",
    "smiles": "Cn1nnc2c(NN)ncnc21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cn1nnc2c(NN)ncnc21",
        "std_free_energy": -7.128249168395996,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cn1n[nH+]c2c(NN)ncnc21",
        "std_free_energy": 0.7706298828125,
        "relative_population": 0.08773461402209652
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Cn1nnc2c(NN)nc[nH+]c21",
        "std_free_energy": -0.6548247933387756,
        "relative_population": 0.36495395113301726
      },
      {
        "id": "1_4",
        "charge": 1,
        "smiles": "Cn1nnc2c([NH2+]N)ncnc21",
        "std_free_energy": 0.8898447751998901,
        "relative_population": 0.07787473823903111
      },
      {
        "id": "1_5",
        "charge": 1,
        "smiles": "Cn1[nH+]nc2c(NN)ncnc21",
        "std_free_energy": -0.27461111545562744,
        "relative_population": 0.24952459973434532
      },
      {
        "id": "1_6",
        "charge": 1,
        "smiles": "Cn1nnc2c(NN)[nH+]cnc21",
        "std_free_energy": 0.0020670294761657715,
        "relative_population": 0.18921413469718912
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.34,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]