[
  {
    "molid": "mol35061",
    "smiles": "CC(C)=CCC/C(C)=C/COP(=O)(O)OP(=O)(O)O",
    "microspecies": [
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "CC(C)=CCC/C(C)=C/CO[P@@](=O)([O-])OP(=O)([O-])[O-]",
        "std_free_energy": -10.286195755004883,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CC(C)=CCC/C(C)=C/CO[P@@](=O)([O-])OP(=O)([O-])O",
        "std_free_energy": -12.417534828186035,
        "relative_population": 0.6606893120316961
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "CC(C)=CCC/C(C)=C/CO[P@@](=O)(O)OP(=O)([O-])[O-]",
        "std_free_energy": -11.751167297363281,
        "relative_population": 0.33931068796830394
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.55000019073486,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "QSARToolbox"
      }
    ]
  }
]