[
  {
    "molid": "mol35335",
    "smiles": "Cc1cc(C)c(CP(=O)(O)O)c(C)c1CP(=O)(O)O",
    "microspecies": [
      {
        "id": "-3_4",
        "charge": -3,
        "smiles": "Cc1cc(C)c(CP(=O)([O-])O)c(C)c1CP(=O)([O-])[O-]",
        "std_free_energy": -12.622132301330566,
        "relative_population": 0.9999999277253598
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "Cc1cc(C)c(CP(=O)([O-])O)c(C)c1CP(=O)([O-])O",
        "std_free_energy": -12.608963012695312,
        "relative_population": 0.9044980848361298
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "Cc1cc(C)c(CP(=O)(O)O)c(C)c1CP(=O)([O-])[O-]",
        "std_free_energy": -10.360725402832031,
        "relative_population": 0.09550155953825316
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.40000009536743,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 8.15999984741211,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "QSARToolbox"
      }
    ]
  }
]