[
  {
    "molid": "mol2799",
    "smiles": "CC(NC(=O)c1ccccc1/N=C/c1c(O)ccc2ccccc12)c1ccccc1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[C@@H](NC(=O)c1ccccc1/N=C/c1c(O)ccc2ccccc12)c1ccccc1",
        "std_free_energy": -6.206796646118164,
        "relative_population": 0.9798846050159538
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[C@@H](NC(=O)c1ccccc1/[NH+]=C/c1c(O)ccc2ccccc12)c1ccccc1",
        "std_free_energy": -0.8874067664146423,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.9,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Novartis"
      }
    ]
  }
]