[
  {
    "molid": "mol38353",
    "smiles": "CC1(C)CC(C(=O)Nc2ccc3cc4ccc(N)cc4nc3c2)C(C)(C)N1[O]",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC1(C)C[C@@H](C(=O)Nc2ccc3cc4ccc(N)cc4nc3c2)C(C)(C)N1[O]",
        "std_free_energy": -5.211587905883789,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC1(C)C[C@@H](C(=O)Nc2ccc3cc4ccc([NH3+])cc4nc3c2)C(C)(C)N1[O]",
        "std_free_energy": -7.194509983062744,
        "relative_population": 0.3655314106136699
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "CC1(C)C[C@@H](C(=O)Nc2ccc3cc4ccc(N)cc4[nH+]c3c2)C(C)(C)N1[O]",
        "std_free_energy": -7.588927268981934,
        "relative_population": 0.5422729650237671
      },
      {
        "id": "1_4",
        "charge": 1,
        "smiles": "CC1(C)C[C@@H](C(=O)Nc2ccc3cc4ccc(N)cc4nc3c2)C(C)(C)[NH+]1[O]",
        "std_free_energy": -5.702534198760986,
        "relative_population": 0.08221817872197662
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.98000001907349,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]