[
  {
    "molid": "SM08",
    "smiles": "Cc1ccc2[nH]c(=O)c(CC(=O)O)c(-c3ccccc3)c2c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccc2[nH]c(=O)c(CC(=O)O)c(-c3ccccc3)c2c1",
        "std_free_energy": -4.133546829223633,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1ccc2[nH]c(=O)c(CC(=O)[O-])c(-c3ccccc3)c2c1",
        "std_free_energy": -9.348686218261719,
        "relative_population": 0.9993895044094826
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.22,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "SAMPL6"
      }
    ]
  }
]