[
  {
    "molid": "mol34287",
    "smiles": "O=P(O)(O)CN(CP(=O)(O)O)C1CCCCC1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=P([O-])(O)C[NH+](CP(=O)([O-])O)C1CCCCC1",
        "std_free_energy": -12.0493803024292,
        "relative_population": 0.8364778987212037
      },
      {
        "id": "-1_4",
        "charge": -1,
        "smiles": "O=P([O-])([O-])C[NH+](CP(=O)(O)O)C1CCCCC1",
        "std_free_energy": -10.31568717956543,
        "relative_population": 0.14774783101542674
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "O=P([O-])([O-])C[NH+](CP(=O)([O-])O)C1CCCCC1",
        "std_free_energy": -13.500835418701172,
        "relative_population": 0.9951500520445193
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.57000017166138,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]