[
  {
    "molid": "mol13681",
    "smiles": "Cc1nnc(/C=N/O)s1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1nnc(/C=N/O)s1",
        "std_free_energy": -6.70791482925415,
        "relative_population": 0.9999995674970926
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1nnc(/C=N/[O-])s1",
        "std_free_energy": -2.606682062149048,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.4,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      }
    ]
  }
]