[
  {
    "molid": "mol2915",
    "smiles": "Cc1ccc(Nc2c(F)cccc2Cl)c(CC(=O)O)c1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1ccc(Nc2c(F)cccc2Cl)c(CC(=O)O)c1",
        "std_free_energy": -5.013755798339844,
        "relative_population": 0.9977060266264588
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1ccc([NH2+]c2c(F)cccc2Cl)c(CC(=O)O)c1",
        "std_free_energy": 9.360540390014648,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.2,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Novartis"
      }
    ]
  }
]