[
  {
    "molid": "mol591",
    "smiles": "Cc1cn(Cc2ccccc2)c(=O)[nH]c1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cn(Cc2ccccc2)c(=O)[nH]c1=O",
        "std_free_energy": -7.239483833312988,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1cn(Cc2ccccc2)c(=O)[n-]c1=O",
        "std_free_energy": 0.6686109304428101,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.4,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Hunt"
      }
    ]
  }
]