[
  {
    "molid": "mol34942",
    "smiles": "CC1=CN([C@@H]2O[C@H](CO)[C@@H](OP(=O)(O)O)[C@H]2O)C(=O)N[C]1O",
    "microspecies": [
      {
        "id": "-3_7",
        "charge": -3,
        "smiles": "CC1=CN([C@@H]2O[C@H](CO)[C@@H](OP(=O)([O-])[O-])[C@H]2O)C(=O)[N-][C]1O",
        "std_free_energy": -0.8389915227890015,
        "relative_population": 0.987670288113093
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "CC1=CN([C@@H]2O[C@H](CO)[C@@H](OP(=O)([O-])[O-])[C@H]2O)C(=O)N[C]1O",
        "std_free_energy": -11.071148872375488,
        "relative_population": 0.9996827350044158
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.09999990463257,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "QSARToolbox"
      }
    ]
  }
]