[
  {
    "molid": "mol11382",
    "smiles": "[O-][n+]1cnc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "[O-][n+]1cnc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1O",
        "std_free_energy": -3.805997133255005,
        "relative_population": 0.9996802387181966
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]c1c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2nc[n+]1[O-]",
        "std_free_energy": -6.970880508422852,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.4,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]