[
  {
    "molid": "mol3177",
    "smiles": "CC(CC(C(=O)O)(c1ccccc1)c1ccccc1)N(C)C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@H](CC(C(=O)[O-])(c1ccccc1)c1ccccc1)[NH+](C)C",
        "std_free_energy": -11.030227661132812,
        "relative_population": 0.9999224679564501
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C[C@H](CC(C(=O)[O-])(c1ccccc1)c1ccccc1)N(C)C",
        "std_free_energy": -4.56620979309082,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.88,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]