[
  {
    "molid": "mol8495",
    "smiles": "CC(CC(=O)O)ON",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@@H](CC(=O)O)ON",
        "std_free_energy": -3.5207877159118652,
        "relative_population": 0.6096979008916358
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[C@@H](CC(=O)[O-])O[NH3+]",
        "std_free_energy": -3.0747451782226562,
        "relative_population": 0.39030209910836416
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[C@@H](CC(=O)O)O[NH3+]",
        "std_free_energy": 2.56063175201416,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C[C@@H](CC(=O)[O-])ON",
        "std_free_energy": -8.163357734680176,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.23,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 3.83,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]