[
  {
    "molid": "mol2990",
    "smiles": "O=C(Nc1nnc(-c2ccc(F)cc2)o1)c1ccc(Cl)s1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(Nc1nnc(-c2ccc(F)cc2)o1)c1ccc(Cl)s1",
        "std_free_energy": -4.6986083984375,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([N-]c1nnc(-c2ccc(F)cc2)o1)c1ccc(Cl)s1",
        "std_free_energy": -4.365841388702393,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.8,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Novartis"
      }
    ]
  }
]