[
  {
    "molid": "mol2923",
    "smiles": "Cc1csc2ccc3[nH]c4c(c3c12)CN(C)CC4",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1csc2ccc3[nH]c4c(c3c12)CN(C)CC4",
        "std_free_energy": -5.342708110809326,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1csc2ccc3[nH]c4c(c3c12)C[NH+](C)CC4",
        "std_free_energy": -8.076299667358398,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.6,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Novartis"
      }
    ]
  }
]