132916 Wcorina 10100417213D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 52 57 0 1 0 0 0 0 0999 V2000 -0.7632 -1.0362 3.3953 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.8413 3.2806 0.1714 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3155 1.8785 -2.1223 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0499 1.2753 -0.0477 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8010 0.6810 0.8291 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4439 0.8449 -1.5187 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5682 -0.6008 -4.0820 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0297 -0.1187 -0.1025 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4642 1.6667 -0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1348 0.4610 -0.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1419 -0.6634 -0.6014 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0626 -0.9785 0.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0087 2.0961 -0.0281 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3994 1.5740 -0.2487 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2214 -0.4551 1.0516 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2403 -2.0215 -0.8303 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9604 -2.3462 0.0556 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1808 -2.8587 -0.5229 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7701 -1.2959 2.1397 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4470 1.0700 -2.3902 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4916 0.3382 -3.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0060 -1.5535 3.2809 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0541 -1.8299 2.0328 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9393 -1.0670 -5.3211 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1257 -0.3995 -5.6839 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4474 0.4782 -4.6204 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5255 -2.3398 4.2926 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5600 -2.6127 3.0499 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3864 -2.0013 -6.1921 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7329 -0.6840 -6.9136 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7973 -2.8697 4.1756 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0020 -2.2633 -7.3957 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1721 -1.6044 -7.7508 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5836 2.5697 -0.7166 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8731 1.8106 0.8821 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2725 0.6577 -1.8752 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0875 0.2259 -0.3374 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0925 2.4140 -0.2943 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1464 -2.4322 -1.2508 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7778 -3.0048 0.3095 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2489 -3.9151 -0.7368 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7513 0.2002 -1.7323 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6516 -1.6306 1.1554 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7845 -0.8820 -3.5843 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2997 1.1400 -4.5764 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9369 -2.5407 5.1756 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5544 -3.0260 2.9675 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4770 -2.5190 -5.9249 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6428 -0.1766 -7.1984 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1989 -3.4833 4.9684 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5710 -2.9884 -8.0702 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6422 -1.8221 -8.6984 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 13 2 0 0 0 0 3 20 2 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 13 1 0 0 0 0 5 14 1 0 0 0 0 5 15 2 0 0 0 0 14 6 1 0 0 0 0 6 20 1 0 0 0 0 6 42 1 0 0 0 0 7 21 1 0 0 0 0 7 24 1 0 0 0 0 7 44 1 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 16 1 0 0 0 0 12 15 1 0 0 0 0 12 17 2 0 0 0 0 13 14 1 0 0 0 0 14 38 1 0 0 0 0 15 19 1 0 0 0 0 16 18 2 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 18 41 1 0 0 0 0 19 22 1 0 0 0 0 19 23 2 0 0 0 0 20 21 1 0 0 0 0 21 26 2 0 0 0 0 22 27 2 0 0 0 0 23 28 1 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 45 1 0 0 0 0 27 31 1 0 0 0 0 27 46 1 0 0 0 0 28 31 2 0 0 0 0 28 47 1 0 0 0 0 29 32 1 0 0 0 0 29 48 1 0 0 0 0 30 33 1 0 0 0 0 30 49 1 0 0 0 0 31 50 1 0 0 0 0 32 33 2 0 0 0 0 32 51 1 0 0 0 0 33 52 1 0 0 0 0 M END > 132916 > 1 > 818 > 4 > 2 > 3 > AAADceB7sQAAAAAAAAAAAAAAAAAAAWLAAAAwYMAABAAAAFiB9AAAHwAQAAAADAjBngwxwPPJkACoAyVyVACCgCAnAiAImaG4ZNiIYPLAlbGUIQhglwLIyYcYicCeAAACAAACAAAAAAQAAAQAAAAAAAAAAA== > InChI=1S/C26H19FN4O2/c27-19-10-3-2-8-17(19)22-18-9-5-7-15-12-13-31(23(15)18)26(33)24(29-22)30-25(32)21-14-16-6-1-4-11-20(16)28-21/h1-11,14,24,28H,12-13H2,(H,30,32)/t24-/m1/s1 > WKJDXKWFGJWGAS-XMMPIXPASA-N > 4.3 > 438.149204 > C26H19FN4O2 > 438.453063 > C1CN2C(=O)C(N=C(C3=C2C1=CC=C3)C4=CC=CC=C4F)NC(=O)C5=CC6=CC=CC=C6N5 > C1CN2C(=O)[C@H](N=C(C3=C2C1=CC=C3)C4=CC=CC=C4F)NC(=O)C5=CC6=CC=CC=C6N5 > 77.6 > 438.149204 > 0 > 33 > 1 > 0 > 0 > 0 > 0 > 1 > 42 > 1 5 255 > 11 16 8 12 17 8 16 18 8 17 18 8 19 22 8 19 23 8 21 26 8 22 27 8 23 28 8 24 25 8 24 29 8 25 26 8 25 30 8 27 31 8 28 31 8 29 32 8 30 33 8 32 33 8 14 6 5 7 21 8 7 24 8 8 11 8 8 12 8 $$$$