[
  {
    "molid": "mol32802",
    "smiles": "COc1cc2c(cc1OC)C13CCN4CC5=CCOC6CC(=O)N2C1C6C5(S(=O)(=O)O)CC43",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1cc2c(cc1OC)[C@]13CC[NH+]4CC5=CCO[C@H]6CC(=O)N2[C@@H]1[C@H]6[C@]5(S(=O)(=O)[O-])C[C@@H]43",
        "std_free_energy": -8.940149307250977,
        "relative_population": 0.9946281235610035
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1cc2c(cc1OC)[C@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@@H]1[C@H]6[C@]5(S(=O)(=O)[O-])C[C@@H]43",
        "std_free_energy": -6.9995269775390625,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.4499998,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]