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        "molfile": "\n  Marvin  01132102052D          \n\n 19 20  0  0  0  0            999 V2000\n   -3.5046    0.5179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.2190    0.1054    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.9335    0.5179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.9335    1.3429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.2190    1.7554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.5046    1.3429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.7901    0.1054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.7901    1.7554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.0756    1.3429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.7901    2.5804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.0364    0.4409    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.4844   -0.1722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.8969   -0.8867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.7039   -0.7151    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.9323    0.4409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.8169   -0.6571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.0209   -0.4576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.7839   -1.4088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.5613   -1.6403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n 14  7  2  0  0  0  0\n  2  3  1  0  0  0  0\n 12 15  1  0  0  0  0\n  1  7  1  0  0  0  0\n 12 16  1  0  0  0  0\n 16 17  1  0  0  0  0\n  6  8  1  0  0  0  0\n 16 18  1  0  0  0  0\n  3  4  2  0  0  0  0\n 13 19  2  0  0  0  0\n  8  9  1  0  0  0  0\n  1  2  2  0  0  0  0\n  8 10  2  0  0  0  0\n  7 11  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  2  0  0  0  0\n  6  1  1  0  0  0  0\n 11 12  1  0  0  0  0\n 12 13  1  0  0  0  0\n 13 14  1  0  0  0  0\nM  END",
        "smiles": "CC(C)C1(C)C(=O)N=C(c2c(cccn2)C(=O)O)N1",
        "formula": "C13H15N3O3",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "RACEMIC",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "261.277",
        "optical_activity": "( + / - )",
        "references": [
          "f23ed179-9d84-4a49-a2bd-c0072aedd88b",
          "b04a5316-9237-4c68-83dd-ccab61b29205"
        ],
        "stereo_centers": 1
      },
      "unii": "787MX0M5A6"
    }
  ]
}