[
  {
    "molid": "mol12601",
    "smiles": "Cc1cc(C(N)=O)cc(C)[n+]1O",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cc(C(N)=O)cc(C)[n+]1O",
        "std_free_energy": 2.9515929222106934,
        "relative_population": 1.0
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "Cc1cc(C(N)=[OH+])cc(C)[n+]1O",
        "std_free_energy": 19.749507904052734,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.08,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 2.0799999,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "OCHEM"
      }
    ]
  }
]