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2 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 2 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 2 0 0 0 0\n 10 9 1 0 0 0 0\n 11 10 2 0 0 0 0\n 6 11 1 0 0 0 0\n 7 12 2 0 0 0 0\n 13 12 1 0 0 0 0\n 5 13 1 0 0 0 0\n 12 14 1 0 0 0 0\n 14 15 2 0 0 0 0\n 15 16 1 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 2 0 0 0 0\n 19 18 1 0 0 0 0\n 20 19 2 0 0 0 0\n 21 20 1 0 0 0 0\n 22 21 1 0 0 0 0\n 23 22 1 0 0 0 0\n 24 23 2 0 0 0 0\n 25 24 1 0 0 0 0\n 26 25 1 0 0 0 0\n 27 26 2 0 0 0 0\n 28 27 1 0 0 0 0\n 1 28 1 0 0 0 0\n 28 29 2 0 0 0 0\n 3 29 1 0 0 0 0\n 26 30 1 0 0 0 0\n 30 31 2 0 0 0 0\n 31 32 1 0 0 0 0\n 32 33 2 0 0 0 0\n 34 33 1 0 0 0 0\n 35 34 2 0 0 0 0\n 30 35 1 0 0 0 0\n 31 24 1 0 0 0 0\n 22 36 2 0 0 0 0\n 15 36 1 0 0 0 0\n 21 16 2 0 0 0 0\n 2 37 1 0 0 0 0\n 37 38 2 0 0 0 0\n 39 38 1 0 0 0 0\n 40 39 2 0 0 0 0\n 1 40 1 0 0 0 0\nM END", "smiles": "c1ccc2c(c1)c3[nH]c2nc4-c5ccccc5-c(n4)nc6c7ccccc7c([nH]6)nc8-c9ccccc9-c(n8)n3", "formula": "C32H18N8", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "ACHIRAL", "defined_stereo": 0, "ez_centers": 4, "molecular_weight": "514.5401", "optical_activity": "NONE", "references": [ "de00830d-9754-419e-9c40-8d450d9c39c2", "90d60378-f1e1-4bfc-9ef3-8d5781a917f9" ], "stereo_centers": 0 }, "unii": "V5PUF4VLGY" } ] }