[
  {
    "molid": "mol35059",
    "smiles": "C=CC(C)(CCC=C(C)C)OP(=O)(O)OP(=O)(O)O",
    "microspecies": [
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "C=C[C@@](C)(CCC=C(C)C)O[P@@](=O)([O-])OP(=O)([O-])[O-]",
        "std_free_energy": -9.90163803100586,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "C=C[C@@](C)(CCC=C(C)C)O[P@@](=O)(O)OP(=O)([O-])[O-]",
        "std_free_energy": -11.70801830291748,
        "relative_population": 0.42008048362997974
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "C=C[C@@](C)(CCC=C(C)C)O[P@@](=O)([O-])OP(=O)([O-])O",
        "std_free_energy": -12.030461311340332,
        "relative_population": 0.5799195163700203
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.75,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "QSARToolbox"
      }
    ]
  }
]