[
  {
    "molid": "mol34722",
    "smiles": "CC(=O)NC(c1ccccc1)P(=O)(O)O",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(=O)N[C@@H](c1ccccc1)P(=O)([O-])O",
        "std_free_energy": -12.222708702087402,
        "relative_population": 0.9999314588094672
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "CC(=O)N[C@@H](c1ccccc1)P(=O)([O-])[O-]",
        "std_free_energy": -11.928153038024902,
        "relative_population": 0.9999149182262369
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.51999998092651,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]