[
  {
    "molid": "mol35067",
    "smiles": "CC(=O)NC(C(C)C)P(=O)(O)O",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(=O)N[C@H](C(C)C)P(=O)([O-])O",
        "std_free_energy": -12.092729568481445,
        "relative_population": 0.9999730201327423
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "CC(=O)N[C@H](C(C)C)P(=O)([O-])[O-]",
        "std_free_energy": -11.890153884887695,
        "relative_population": 0.999992364226217
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.28000020980835,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]