[
  {
    "molid": "mol2942",
    "smiles": "CN(C)Cc1ccc(-c2cc3onc(-c4ccccc4)c3c(=O)n2C)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)Cc1ccc(-c2cc3onc(-c4ccccc4)c3c(=O)n2C)cc1",
        "std_free_energy": -3.603238105773926,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cn1c(-c2ccc(C[NH+](C)C)cc2)cc2onc(-c3ccccc3)c2c1=O",
        "std_free_energy": -8.437368392944336,
        "relative_population": 0.9855579583301766
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.375,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Novartis"
      }
    ]
  }
]