[
  {
    "molid": "mol25098",
    "smiles": "Cc1ccc(-c2cccnc2)s1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccc(-c2cccnc2)s1",
        "std_free_energy": -5.821199417114258,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1ccc(-c2ccc[nH+]c2)s1",
        "std_free_energy": -1.2452359199523926,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.56,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]