[
  {
    "molid": "mol11149",
    "smiles": "O=c1ccn([C@@H]2O[C@H](CO)[C@@H](OP(=O)(O)O)[C@H]2O)c(=O)[nH]1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=c1ccn([C@@H]2O[C@H](CO)[C@@H](OP(=O)([O-])O)[C@H]2O)c(=O)[nH]1",
        "std_free_energy": -11.5709867477417,
        "relative_population": 0.9999590731617657
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=c1ccn([C@@H]2O[C@H](CO)[C@@H](OP(=O)([O-])[O-])[C@H]2O)c(=O)[nH]1",
        "std_free_energy": -11.18315601348877,
        "relative_population": 0.9998171691357357
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.74,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]