[
  {
    "molid": "mol29851",
    "smiles": "CCc1cc2c(s1)N(C)C(=O)CN=C2c1ccccc1Cl",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCc1cc2c(s1)N(C)C(=O)CN=C2c1ccccc1Cl",
        "std_free_energy": -5.753322601318359,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCc1cc2c(s1)N(C)C(=O)C[NH+]=C2c1ccccc1Cl",
        "std_free_energy": -0.38378724455833435,
        "relative_population": 0.8868914302280091
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCc1cc2c(s1)N(C)C(=[OH+])CN=C2c1ccccc1Cl",
        "std_free_energy": 1.6755871772766113,
        "relative_population": 0.11310856977199095
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.35,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]