[
  {
    "molid": "mol29897",
    "smiles": "CCOP(=O)(O)O[C@H]1C[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1CO",
    "microspecies": [
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "CCO[P@](=O)([O-])O[C@H]1C[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1CO",
        "std_free_energy": -10.75674057006836,
        "relative_population": 0.9999696011299565
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "CCO[P@](=O)([O-])O[C@H]1C[C@H](n2ccc(=O)[n-]c2=O)O[C@@H]1CO",
        "std_free_energy": -0.31382039189338684,
        "relative_population": 0.9925374741483308
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.35,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]