[
  {
    "molid": "mol35387",
    "smiles": "CCCCCOP(=O)(CN1CCCCC1)OCCCCC",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCCCOP(=O)(CN1CCCCC1)OCCCCC",
        "std_free_energy": -5.562907695770264,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCCCCOP(=O)(C[NH+]1CCCCC1)OCCCCC",
        "std_free_energy": -6.2627058029174805,
        "relative_population": 0.988247291551707
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.98000001907349,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]