[
  {
    "molid": "mol30074",
    "smiles": "CCOP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C[C@@H]1OP(=O)(O)OCC",
    "microspecies": [
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "CCO[P@](=O)([O-])OC[C@H]1O[C@@H](n2ccc(=O)[n-]c2=O)C[C@@H]1O[P@](=O)([O-])OCC",
        "std_free_energy": -0.20455855131149292,
        "relative_population": 1.0
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "CCO[P@](=O)([O-])OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C[C@@H]1O[P@](=O)([O-])OCC",
        "std_free_energy": -11.204984664916992,
        "relative_population": 0.9998245328986795
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.58,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]