[
  {
    "molid": "mol35632",
    "smiles": "CCN(CC)CCC(O)(P(=O)(O)O)P(=O)(O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC[NH+](CC)CCC(O)(P(=O)([O-])O)P(=O)(O)O",
        "std_free_energy": -8.301435470581055,
        "relative_population": 0.9726261357207594
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "CC[NH+](CC)CCC(O)(P(=O)([O-])[O-])P(=O)(O)O",
        "std_free_energy": -11.065685272216797,
        "relative_population": 0.08589725966334322
      },
      {
        "id": "-1_4",
        "charge": -1,
        "smiles": "CC[NH+](CC)CCC(O)(P(=O)([O-])O)P(=O)([O-])O",
        "std_free_energy": -13.428977012634277,
        "relative_population": 0.9127332483513046
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]