[
  {
    "molid": "mol21367",
    "smiles": "O=C(O)c1cn2c(c1O)C(=O)N(Cc1ccccc1)CC2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)c1cn2c(c1O)C(=O)N(Cc1ccccc1)CC2",
        "std_free_energy": -4.082348823547363,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])c1cn2c(c1O)C(=O)N(Cc1ccccc1)CC2",
        "std_free_energy": -10.169218063354492,
        "relative_population": 0.9995557295534978
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.8,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]