[
  {
    "molid": "mol36520",
    "smiles": "CN1Cc2c(ccc3c2OCO3)C2C(O)Cc3cc4c(cc3C21)OCO4",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN1Cc2c(ccc3c2OCO3)[C@H]2[C@@H](O)Cc3cc4c(cc3[C@@H]21)OCO4",
        "std_free_energy": -4.952764511108398,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[NH+]1Cc2c(ccc3c2OCO3)[C@H]2[C@@H](O)Cc3cc4c(cc3[C@@H]21)OCO4",
        "std_free_energy": -7.463122367858887,
        "relative_population": 0.9999875245415932
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.40000009536743,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]