[
  {
    "molid": "mol18156",
    "smiles": "CCOc1ccc(NC(=O)c2cn3c(C)c(C)nc3c3c2CCC(c2ccccc2)O3)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCOc1ccc(NC(=O)c2cn3c(C)c(C)nc3c3c2CC[C@@H](c2ccccc2)O3)cc1",
        "std_free_energy": -5.703794002532959,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCOc1ccc(NC(=O)c2cn3c(C)c(C)[nH+]c3c3c2CC[C@@H](c2ccccc2)O3)cc1",
        "std_free_energy": -4.900554656982422,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.57,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]