[
  {
    "molid": "mol36931",
    "smiles": "O=C(O)c1cn2c(n1)[C@@H](O)[C@@H](O)[C@H](O)[C@H]2CO",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)c1cn2c(n1)[C@@H](O)[C@@H](O)[C@H](O)[C@H]2CO",
        "std_free_energy": -5.056021213531494,
        "relative_population": 0.1424986033742931
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=C([O-])c1cn2c([nH+]1)[C@@H](O)[C@@H](O)[C@H](O)[C@H]2CO",
        "std_free_energy": -6.850711822509766,
        "relative_population": 0.8575013966257069
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=C([O-])c1cn2c(n1)[C@@H](O)[C@@H](O)[C@H](O)[C@H]2CO",
        "std_free_energy": -9.737388610839844,
        "relative_population": 0.9999995661289449
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.69999980926514,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]