[
  {
    "molid": "mol25262",
    "smiles": "O=C(O)C1=NCC=C1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C([O-])C1=[NH+]CC=C1",
        "std_free_energy": -8.161749839782715,
        "relative_population": 0.976869086073063
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "O=C(O)C1=[NH+]CC=C1",
        "std_free_energy": 4.200682640075684,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.1,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]