[
  {
    "molid": "mol20100",
    "smiles": "CC(C)(C)c1noc(/C=N/O)n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)(C)c1noc(/C=N/O)n1",
        "std_free_energy": -6.393917083740234,
        "relative_population": 0.9999874559916614
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(C)(C)c1noc(/C=N/[O-])n1",
        "std_free_energy": -2.3141846656799316,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.91,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]