[
  {
    "molid": "mol35321",
    "smiles": "Cc1[nH]c2ccccc2c1C1(c2c(C)[nH]c3ccccc23)OC(=O)c2ccccc21",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1[n-]c2ccccc2c1C1(c2c(C)[nH]c3ccccc23)OC(=O)c2ccccc21",
        "std_free_energy": 8.327082633972168,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "Cc1[n-]c2ccccc2c1C1(c2c(C)[n-]c3ccccc23)OC(=O)c2ccccc21",
        "std_free_energy": 11.128015518188477,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.69999980926514,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]