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        "molfile": "\n  Marvin  01132112572D          \n\n 35 40  0  0  0  0            999 V2000\n    0.8460    2.8809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.8496    2.0604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.1349    3.2784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5535    3.2930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.1349    1.6447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5571    1.6520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.5835    2.8700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.1312    4.0990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5462    4.1063    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2609    2.8882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.5762    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.1422    0.8206    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2682    2.0677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.8387    4.5110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.5689    0.4011    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5535    4.9304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.1203    4.9267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.5616   -0.4230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2764   -0.8387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.1568   -0.8314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2727   -1.6666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.9912   -0.4266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.1604   -1.6629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.5580   -2.0786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.9912   -2.0859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.7059   -0.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.5580   -2.9028    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.7059   -1.6702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.1568   -3.3112    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    0.1568   -4.1353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.5580   -4.5439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.8679   -4.5402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.5580   -5.3680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.8715   -5.3643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.1568   -5.7801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  1  3  2  0  0  0  0\n  1  4  1  0  0  0  0\n  2  5  2  0  0  0  0\n  2  6  1  0  0  0  0\n  3  7  1  0  0  0  0\n  3  8  1  0  0  0  0\n  4  9  1  0  0  0  0\n  4 10  2  0  0  0  0\n  5 11  1  0  0  0  0\n  5 12  1  0  0  0  0\n  6 13  2  0  0  0  0\n  8 14  1  0  0  0  0\n 12 15  2  0  0  0  0\n 14 16  1  0  0  0  0\n 14 17  1  0  0  0  0\n 15 18  1  0  0  0  0\n 18 19  1  0  0  0  0\n 18 20  2  0  0  0  0\n 19 21  1  0  0  0  0\n 19 22  2  0  0  0  0\n 20 23  1  0  0  0  0\n 21 24  1  0  0  0  0\n 21 25  2  0  0  0  0\n 22 26  1  0  0  0  0\n 24 27  1  0  0  0  0\n 25 28  1  0  0  0  0\n 27 29  2  0  0  0  0\n 29 30  1  0  0  0  0\n 30 31  2  0  0  0  0\n 30 32  1  0  0  0  0\n 31 33  1  0  0  0  0\n 32 34  2  0  0  0  0\n 33 35  2  0  0  0  0\n  7 11  2  0  0  0  0\n  9 14  1  0  0  0  0\n 10 13  1  0  0  0  0\n 23 24  2  0  0  0  0\n 26 28  2  0  0  0  0\n 34 35  1  0  0  0  0\nM  END",
        "smiles": "CC1(C)Nc2cccc3c(ccc(c32)N1)/N=N/c4ccc(c5ccccc54)/N=N/c6ccccc6",
        "formula": "C29H24N6",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 2,
        "molecular_weight": "456.5421",
        "optical_activity": "NONE",
        "references": [
          "45d72bce-6f1d-4d4b-bd84-7ed4b5a68b9e",
          "1e8f6fc6-62ea-41d2-9db7-5eadb09914c0"
        ],
        "stereo_centers": 0
      },
      "unii": "9YDL1Q990E"
    }
  ]
}