[
  {
    "molid": "mol19315",
    "smiles": "Cc1cc2nc(C(=O)N(C)C)cc(NCc3c(C)cccc3C)c2[nH]1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cc2nc(C(=O)N(C)C)cc(NCc3c(C)cccc3C)c2[nH]1",
        "std_free_energy": -5.8262739181518555,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cc2[nH+]c(C(=O)N(C)C)cc(NCc3c(C)cccc3C)c2[nH]1",
        "std_free_energy": -5.675441265106201,
        "relative_population": 0.7241064645347886
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1cc2nc(C(=O)N(C)C)cc([NH2+]Cc3c(C)cccc3C)c2[nH]1",
        "std_free_energy": -4.710517883300781,
        "relative_population": 0.2758935354652115
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.3,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 7.30000019073486,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]