[
  {
    "molid": "mol12011",
    "smiles": "CCCC[P+](CCCC)(CCCC)CC(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCC[P+](CCCC)(CCCC)CC(=O)[O-]",
        "std_free_energy": -8.487776756286621,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCCC[P+](CCCC)(CCCC)CC(=O)O",
        "std_free_energy": -3.6248550415039062,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.34,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 2.33999991416931,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]