[
  {
    "molid": "mol8351",
    "smiles": "Cn1nc2ncnc(NN)c2n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cn1nc2ncnc(NN)c2n1",
        "std_free_energy": -6.755087375640869,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cn1nc2ncnc([NH2+]N)c2n1",
        "std_free_energy": 0.022634506225585938,
        "relative_population": 0.05426351320754756
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      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cn1nc2c(NN)ncnc2[nH+]1",
        "std_free_energy": -1.613574743270874,
        "relative_population": 0.27867920078045016
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      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Cn1nc2nc[nH+]c(NN)c2n1",
        "std_free_energy": -1.579721450805664,
        "relative_population": 0.2694028949450692
      },
      {
        "id": "1_5",
        "charge": 1,
        "smiles": "Cn1nc2[nH+]cnc(NN)c2n1",
        "std_free_energy": -1.305574893951416,
        "relative_population": 0.20480564432430082
      },
      {
        "id": "1_6",
        "charge": 1,
        "smiles": "Cn1nc2ncnc(NN)c2[nH+]1",
        "std_free_energy": -1.094069480895996,
        "relative_population": 0.16576249981827307
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.1,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]