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0 0\n 21 22 2 0 0 0 0\n 21 23 1 0 0 0 0\n 23 24 1 0 0 0 0\n 24 25 1 0 0 0 0\n 3 26 1 0 0 0 0\n 1 27 1 0 0 0 0\n 27 28 1 0 0 0 0\n 28 29 2 0 0 0 0\n 29 30 1 0 0 0 0\n 30 31 2 0 0 0 0\n 31 32 1 0 0 0 0\n 27 32 2 0 0 0 0\n 30 33 1 0 0 0 0\n 33 34 2 0 0 0 0\n 34 35 1 0 0 0 0\n 36 35 1 0 0 0 0\n 37 36 2 0 0 0 0\n 38 37 1 0 0 0 0\n 38 39 1 0 0 0 0\n 35 39 2 0 0 0 0\n 39 40 1 0 0 0 0\n 38 41 1 0 0 0 0\n 41 42 1 0 0 0 0\n 42 43 2 0 0 0 0\n 43 44 1 0 0 0 0\n 44 45 2 0 0 0 0\n 45 46 1 0 0 0 0\n 41 46 2 0 0 0 0\n 36 47 1 0 0 0 0\n 47 48 2 0 0 0 0\n 47 49 1 0 0 0 0\n 49 50 1 0 0 0 0\n 50 51 1 0 0 0 0\n 29 52 1 0 0 0 0\nM END", "smiles": "CCOC(=O)c1c(c(n(-c2ccccc2)n1)O)/N=N/c3ccc(cc3Cl)-c4ccc(c(c4)Cl)/N=N/c5c(C(=O)OCC)nn(-c6ccccc6)c5O", "formula": "C36H28Cl2N8O6", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "ACHIRAL", "defined_stereo": 0, "ez_centers": 2, "molecular_weight": "739.5648", "optical_activity": "NONE", "references": [ "c3ee63f2-04fb-433e-bfe4-6c2b97659c48", "8c5714f1-dabd-496f-8927-02f785db0a17" ], "stereo_centers": 0 }, "unii": "S92898V7TN" } ] }