[
  {
    "molid": "mol20105",
    "smiles": "CC(=O)N(O)CCCP(=O)(O)O",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(=O)N(O)CCCP(=O)([O-])O",
        "std_free_energy": -11.789566040039062,
        "relative_population": 0.999982260859971
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "CC(=O)N(O)CCCP(=O)([O-])[O-]",
        "std_free_energy": -11.442554473876953,
        "relative_population": 0.9998775951044044
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.35,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]