[
  {
    "molid": "mol11329",
    "smiles": "Cc1c(C(=O)O)nnn1-c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1c(C(=O)O)nnn1-c1ccccc1",
        "std_free_energy": -3.6401901245117188,
        "relative_population": 0.9999985083085929
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1c(C(=O)[O-])nnn1-c1ccccc1",
        "std_free_energy": -11.47061538696289,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.73,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]