[
  {
    "molid": "mol2871",
    "smiles": "COc1cccc(-c2nnc3n(Cc4ccccc4Cl)c(=O)c4ccccc4n23)c1O",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "COc1cccc(-c2nnc3n(Cc4ccccc4Cl)c(=O)c4ccccc4n23)c1O",
        "std_free_energy": -6.34705114364624,
        "relative_population": 0.9999999771867347
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1cccc(-c2nnc3n(Cc4ccccc4Cl)c(=O)c4ccccc4n23)c1[O-]",
        "std_free_energy": -2.105064868927002,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.4,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Novartis"
      }
    ]
  }
]