[
  {
    "molid": "mol35894",
    "smiles": "CCOP(=O)(O)C(C)(N)CC",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCO[P@](=O)([O-])[C@@](C)([NH3+])CC",
        "std_free_energy": -12.252774238586426,
        "relative_population": 0.9999933149247556
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCO[P@](=O)([O-])[C@@](C)(N)CC",
        "std_free_energy": -5.813509941101074,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.60999965667725,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]