[
  {
    "molid": "mol35148",
    "smiles": "CCC(N)C(=O)NO",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC[C@@H]([NH3+])C(=O)N[O-]",
        "std_free_energy": -2.632687568664551,
        "relative_population": 0.05495700063421298
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CC[C@@H](N)C(=O)NO",
        "std_free_energy": -5.477366924285889,
        "relative_population": 0.945042999365787
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC[C@@H](N)C(=O)[N-]O",
        "std_free_energy": 1.5790026187896729,
        "relative_population": 0.37410822530654336
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC[C@@H](N)C(=O)N[O-]",
        "std_free_energy": 1.0643702745437622,
        "relative_population": 0.6258917746934566
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.11999988555908,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]