[
  {
    "molid": "mol35701",
    "smiles": "Cc1ccc2[nH]c(C)c(C3(c4c(C)[nH]c5ccc(C)cc45)OC(=O)c4ccccc43)c2c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccc2[nH]c(C)c(C3(c4c(C)[nH]c5ccc(C)cc45)OC(=O)c4ccccc43)c2c1",
        "std_free_energy": -7.174642562866211,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1ccc2[n-]c(C)c(C3(c4c(C)[nH]c5ccc(C)cc45)OC(=O)c4ccccc43)c2c1",
        "std_free_energy": 8.72641372680664,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.69999980926514,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]