[
  {
    "molid": "mol34720",
    "smiles": "CC(=O)NC(Cc1ccccc1)P(=O)(O)O",
    "microspecies": [
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "CC(=O)N[C@H](Cc1ccccc1)P(=O)([O-])O",
        "std_free_energy": -12.200960159301758,
        "relative_population": 0.9999234781680987
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "CC(=O)N[C@H](Cc1ccccc1)P(=O)([O-])[O-]",
        "std_free_energy": -11.67966365814209,
        "relative_population": 0.9998814171119011
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.88000011444092,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]