[
  {
    "molid": "mol14490",
    "smiles": "O=C1c2ncnc(O)c2C(=O)c2nc[nH]c21",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=C1c2ncnc(O)c2C(=O)c2nc[nH]c21",
        "std_free_energy": -4.908456325531006,
        "relative_population": 0.9999849818030792
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1c2ncnc(O)c2C(=O)c2nc[n-]c21",
        "std_free_energy": -4.55603551864624,
        "relative_population": 0.21811808786269635
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C1c2ncnc([O-])c2C(=O)c2nc[nH]c21",
        "std_free_energy": -5.83270263671875,
        "relative_population": 0.7818819121373036
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.99,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 5.9899998,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]