[
  {
    "molid": "mol2886",
    "smiles": "C[C@H](C#Cc1ccc(Cc2ccc(F)cc2)s1)N(O)C(N)=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@H](C#Cc1ccc(Cc2ccc(F)cc2)s1)N(O)C(N)=O",
        "std_free_energy": -6.387354373931885,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C[C@H](C#Cc1ccc(Cc2ccc(F)cc2)s1)N([O-])C(N)=O",
        "std_free_energy": -0.933556318283081,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.4,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Novartis"
      }
    ]
  }
]