[
  {
    "molid": "mol19242",
    "smiles": "Nc1n[nH]c(CCNOC(=O)CN(C(=O)[C@@H](CC2CCCCC2)NCC(=O)O)C2CCCC2)n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1n[nH]c(CCNOC(=O)CN(C(=O)[C@@H](CC2CCCCC2)[NH2+]CC(=O)[O-])C2CCCC2)n1",
        "std_free_energy": -10.222368240356445,
        "relative_population": 0.9795053283939229
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Nc1n[nH]c(CCNOC(=O)CN(C(=O)[C@@H](CC2CCCCC2)NCC(=O)[O-])C2CCCC2)n1",
        "std_free_energy": -8.139530181884766,
        "relative_population": 0.9999086793631373
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]