[
  {
    "molid": "mol32374",
    "smiles": "COc1cc2c(cc1O)C1Cc3cc(OC)c(OC)cc3C(C2)N1C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1cc2c(cc1[O-])[C@H]1Cc3cc(OC)c(OC)cc3[C@@H](C2)[NH+]1C",
        "std_free_energy": -1.934783697128296,
        "relative_population": 0.2597872160188533
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "COc1cc2c(cc1O)[C@H]1Cc3cc(OC)c(OC)cc3[C@@H](C2)N1C",
        "std_free_energy": -2.981858491897583,
        "relative_population": 0.7402127839811468
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1cc2c(cc1[O-])[C@H]1Cc3cc(OC)c(OC)cc3[C@@H](C2)N1C",
        "std_free_energy": 4.084982872009277,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.8000002,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]