SciTegic07090714202D 9 9 0 0 0 0 999 V2000 2.5973 -1.5031 0.0000 C 0 0 2.5956 -2.7031 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 3.6375 -0.9049 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 2 1 2 0 3 1 1 0 4 1 1 0 5 3 1 0 6 3 2 0 7 6 1 0 8 5 2 0 9 7 2 0 9 8 1 0 M END > 76189 > Bioorg. Med. Chem. 10(1)-2002 41-46 > fXa > 3.3098 $$$$ SciTegic07090714202D 18 20 0 0 0 0 999 V2000 1.7138 1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 0.2917 0.7475 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 -3.6217 1.4865 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -4.6560 0.8780 0.0000 N 0 0 4.0896 0.0290 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -3.6319 2.6865 0.0000 N 0 0 4.9397 -1.2009 0.0000 C 0 0 4.7275 1.3885 0.0000 C 0 0 6.2225 1.5110 0.0000 C 0 0 6.4347 -1.0783 0.0000 C 0 0 7.0761 0.2776 0.0000 C 0 0 2 1 2 0 3 2 1 0 4 1 1 0 5 4 1 0 6 7 1 0 7 8 1 0 8 4 2 0 9 6 2 0 10 2 1 0 11 5 2 0 12 7 2 0 13 6 1 0 14 10 2 0 15 10 1 0 16 15 2 0 17 14 1 0 18 16 1 0 3 5 1 0 12 11 1 0 18 17 2 0 M END > 88184 > J. Med. Chem. 44(17)-2001 2753-2771 > fXa > 3.9031 $$$$ SciTegic07090714202D 19 20 0 0 0 0 999 V2000 -2.5951 3.0039 0.0000 C 0 0 -3.8933 3.7570 0.0000 C 0 0 -2.5973 1.5031 0.0000 N 0 0 2.5973 -1.5031 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 2.5956 -2.7031 0.0000 N 0 0 -3.8934 5.2570 0.0000 C 0 0 -1.5549 3.6021 0.0000 O 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 3.6375 -0.9049 0.0000 N 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -2.8542 5.8570 0.0000 O 0 0 -5.1925 3.0070 0.0000 C 0 0 -5.1924 6.0070 0.0000 C 0 0 -6.4915 3.7571 0.0000 C 0 0 -6.4915 5.2571 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 5 1 0 5 11 1 0 6 4 2 0 7 2 2 0 8 1 2 0 9 3 1 0 10 13 1 0 11 14 2 0 12 4 1 0 13 9 2 0 14 9 1 0 15 7 1 0 16 2 1 0 17 7 1 0 18 16 2 0 19 18 1 0 10 5 2 0 19 17 2 0 M END > 4445 > Bioorg. Med. Chem. Lett. 12(15)-2002 2023-2026 > fXa > 4.9208 $$$$ SciTegic07090714202D 21 22 0 0 1 0 999 V2000 -1.3070 5.2502 0.0000 C 0 0 -2.6078 5.9988 0.0000 N 0 0 2.5973 -1.5031 0.0000 C 0 0 -1.3039 3.7494 0.0000 C 0 0 2 0 0 0 1.2990 -0.7500 0.0000 C 0 0 2.5956 -2.7031 0.0000 N 0 0 -0.2688 5.8520 0.0000 O 0 0 -0.0031 3.0008 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.6131 7.4988 0.0000 C 0 0 -3.9044 5.2443 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 3.6375 -0.9049 0.0000 N 0 0 -2.3421 3.1476 0.0000 N 0 0 -5.2060 5.9898 0.0000 C 0 0 -3.9148 8.2443 0.0000 C 0 0 -5.2112 7.4898 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -6.2525 8.0862 0.0000 C 0 0 2 1 1 0 3 5 1 0 4 1 1 0 5 9 2 0 6 3 2 0 7 1 2 0 4 8 1 6 9 12 1 0 10 2 1 0 11 2 1 0 12 8 1 0 13 3 1 0 14 4 1 0 15 11 1 0 16 10 1 0 17 15 1 0 18 19 2 0 19 20 1 0 20 12 2 0 21 17 1 0 16 17 1 0 5 18 1 0 M END > 49878 > J. Med. Chem. 42(3)-1999 458-477 > fXa > 3.6380 $$$$ SciTegic07090714202D 21 23 0 0 0 0 999 V2000 -2.6111 0.7486 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -4.9506 0.8952 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 9.0923 2.9919 0.0000 N 0 0 -1.2964 -1.4973 0.0000 C 0 0 -3.9141 2.6966 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 3.8942 1.4964 0.0000 O 0 0 2.5929 -0.7486 0.0000 C 0 0 5.1929 0.7441 0.0000 C 0 0 6.4942 1.4919 0.0000 C 0 0 9.0923 1.4919 0.0000 C 0 0 7.7933 3.7419 0.0000 C 0 0 7.7932 0.7419 0.0000 C 0 0 6.4943 2.9919 0.0000 C 0 0 2 1 1 0 3 4 1 0 4 1 1 0 5 2 2 0 6 10 1 0 7 1 1 0 8 3 1 0 9 19 1 0 10 7 1 0 11 2 1 0 12 6 1 0 13 8 2 0 14 13 1 0 15 12 2 0 16 14 1 0 17 16 1 0 18 20 1 0 19 21 1 0 20 17 1 0 21 17 1 0 6 3 2 0 15 13 1 0 18 9 1 0 M END > 151918 > J. Med. Chem. 48(10)-2005 3586-3604 > fXa > 5.4763 $$$$ SciTegic07090714202D 21 22 0 0 0 0 999 V2000 2.5973 -1.5031 0.0000 C 0 0 -2.6109 7.4996 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 2.5956 -2.7031 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 -1.5728 8.1014 0.0000 O 0 0 -3.9118 8.2481 0.0000 C 0 0 -2.6078 5.9988 0.0000 N 0 0 3.6375 -0.9049 0.0000 N 0 0 0.0000 1.5000 0.0000 C 0 0 -0.0031 3.0008 0.0000 O 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -3.9171 9.7482 0.0000 C 0 0 -5.2083 7.4937 0.0000 C 0 0 -1.3070 5.2502 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.3039 3.7494 0.0000 C 0 0 -6.5099 8.2392 0.0000 C 0 0 -5.2187 10.4937 0.0000 C 0 0 -6.5151 9.7392 0.0000 C 0 0 2 8 1 0 3 1 1 0 4 1 2 0 5 3 2 0 6 2 2 0 7 2 1 0 8 16 1 0 9 1 1 0 10 5 1 0 11 10 1 0 12 3 1 0 13 12 2 0 14 7 2 0 15 7 1 0 16 18 1 0 17 13 1 0 18 11 1 0 19 15 2 0 20 14 1 0 21 19 1 0 17 10 2 0 20 21 2 0 M END > 110463 > J. Med. Chem. 46(10)-2003 1845-1857 > fXa > 5.5528 $$$$ SciTegic07090714202D 22 24 0 0 0 0 999 V2000 1.7138 1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 4.0872 0.0320 0.0000 C 0 0 6.0617 6.0897 0.0000 C 0 0 2.1812 2.6271 0.0000 C 0 0 5.5886 4.6654 0.0000 C 0 0 7.2369 6.3323 0.0000 N 0 0 4.1200 4.3600 0.0000 C 0 0 4.6976 -1.0012 0.0000 O 0 0 3.6500 2.9355 0.0000 C 0 0 4.6772 1.0770 0.0000 N 0 0 5.2643 6.9864 0.0000 N 0 0 -1.0028 1.5132 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 6.5873 3.5462 0.0000 C 0 0 6.1174 2.1217 0.0000 C 0 0 4.6488 1.8163 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 2 1 1 0 3 2 2 0 4 1 1 0 5 4 1 0 6 2 1 0 7 9 1 0 8 1 1 0 9 11 2 0 10 7 2 0 11 13 1 0 12 6 2 0 13 8 1 0 14 6 1 0 15 7 1 0 16 4 2 0 17 5 2 0 18 19 2 0 19 20 1 0 20 13 2 0 21 16 1 0 22 21 2 0 5 3 1 0 22 17 1 0 18 9 1 0 M END > 95164 > J. Med. Chem. 45(13)-2002 2749-2769 > fXa > 5.2480 $$$$ SciTegic07090714202D 23 26 0 0 0 0 999 V2000 -3.9086 1.5029 0.0000 C 0 0 -5.2400 0.8983 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 -4.0428 2.9860 0.0000 N 0 0 -1.2964 1.4973 0.0000 C 0 0 -6.2469 2.0011 0.0000 C 0 0 -5.5032 3.2980 0.0000 C 0 0 -10.0094 3.3068 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -8.5086 3.2981 0.0000 C 0 0 -7.7508 1.9808 0.0000 C 0 0 -10.6039 4.3492 0.0000 N 0 0 -6.2452 4.6063 0.0000 C 0 0 -7.7649 4.5950 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -10.6152 2.2709 0.0000 N 0 0 -1.2928 2.6973 0.0000 O 0 0 1.2964 1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2 1 2 0 3 1 1 0 4 1 1 0 5 3 2 0 6 2 1 0 7 4 1 0 8 11 1 0 9 5 1 0 10 3 1 0 11 12 1 0 12 6 2 0 13 8 2 0 14 7 2 0 15 14 1 0 16 17 1 0 17 10 2 0 18 8 1 0 19 5 1 0 20 9 2 0 21 16 2 0 22 20 1 0 23 21 1 0 7 6 1 0 11 15 2 0 9 16 1 0 23 22 2 0 M END > 88200 > J. Med. Chem. 44(17)-2001 2753-2771 > fXa > 5.0044 $$$$ SciTegic07090714202D 25 27 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 2.5951 -3.0039 0.0000 N 0 0 7.7897 -6.0102 0.0000 C 0 0 6.4915 -5.2571 0.0000 C 0 0 7.7879 -7.2102 0.0000 N 0 0 3.6375 -0.9049 0.0000 O 0 0 0.0000 3.0008 0.0000 C 0 0 3.8933 -3.7570 0.0000 C 0 0 5.1924 -6.0070 0.0000 C 0 0 6.4915 -3.7571 0.0000 C 0 0 8.8299 -5.4120 0.0000 N 0 0 2.3383 1.3500 0.0000 O 0 0 0.0000 -1.5000 0.0000 C 0 0 3.8934 -5.2570 0.0000 C 0 0 5.1925 -3.0070 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 1.2978 3.7529 0.0000 C 0 0 -1.3002 3.7488 0.0000 C 0 0 -1.3026 5.2488 0.0000 C 0 0 1.2954 5.2529 0.0000 C 0 0 -0.0048 6.0009 0.0000 C 0 0 2 1 1 0 3 1 2 0 4 3 1 0 5 2 1 0 6 7 1 0 7 13 2 0 8 6 2 0 9 2 2 0 10 4 1 0 11 5 1 0 12 17 2 0 13 18 1 0 14 6 1 0 15 3 1 0 16 1 1 0 17 11 1 0 18 11 2 0 19 20 1 0 20 16 2 0 21 10 2 0 22 10 1 0 23 22 2 0 24 21 1 0 25 23 1 0 19 4 2 0 7 12 1 0 25 24 2 0 M END > 4455 > Bioorg. Med. Chem. Lett. 12(15)-2002 2023-2026 > fXa > 3.7258 $$$$ SciTegic07090714202D 25 26 0 0 0 0 999 V2000 2.5973 -1.5031 0.0000 C 0 0 -0.0031 3.0008 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 2.5951 -3.0039 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 3.8912 -5.2578 0.0000 C 0 0 -1.0432 3.5993 0.0000 N 0 0 5.1894 -6.0109 0.0000 N 0 0 3.6375 -0.9049 0.0000 O 0 0 2.8509 -5.8560 0.0000 O 0 0 3.8933 -3.7570 0.0000 C 0 0 1.0351 3.6026 0.0000 N 0 0 5.1873 -7.5117 0.0000 C 0 0 6.4855 -8.2648 0.0000 C 0 0 10.3801 -11.7180 0.0000 N 0 0 6.4855 -9.7648 0.0000 C 0 0 7.7846 -7.5149 0.0000 C 0 0 9.0836 -8.2649 0.0000 C 0 0 7.7846 -10.5149 0.0000 C 0 0 9.0836 -9.7649 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 10.3818 -10.5180 0.0000 C 0 0 2 4 1 0 3 1 1 0 4 6 1 0 5 1 1 0 6 3 2 0 7 12 1 0 8 2 2 0 9 7 1 0 10 1 2 0 11 7 2 0 12 5 1 0 13 2 1 0 14 9 1 0 15 14 1 0 16 25 1 0 17 15 1 0 18 15 1 0 19 18 1 0 20 17 1 0 21 19 1 0 22 24 1 0 23 3 1 0 24 23 2 0 25 21 1 0 22 4 2 0 21 20 1 0 M END > 125759 > J. Med. Chem. 45(6)-2002 1221-1232 > fXa > 4.8539 $$$$ SciTegic07090714202D 25 26 0 0 0 0 999 V2000 -2.5951 3.0039 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 -5.1894 6.0109 0.0000 C 0 0 -2.5973 1.5031 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 2.5956 -2.7031 0.0000 N 0 0 -3.8933 3.7570 0.0000 N 0 0 -5.1873 7.5117 0.0000 N 0 0 -1.5549 3.6021 0.0000 O 0 0 -6.2297 5.4127 0.0000 O 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 3.6375 -0.9049 0.0000 N 0 0 -3.8912 5.2578 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -6.4855 8.2648 0.0000 C 0 0 -7.7798 10.5202 0.0000 C 0 0 -7.7746 12.0202 0.0000 C 0 0 -6.4834 9.7656 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -8.8118 12.6238 0.0000 Br 0 0 -5.1765 12.0112 0.0000 C 0 0 -6.4730 12.7657 0.0000 C 0 0 -5.1817 10.5112 0.0000 C 0 0 2 5 1 0 3 14 1 0 4 1 1 0 5 11 1 0 6 2 2 0 7 1 1 0 8 3 1 0 9 1 2 0 10 3 2 0 11 21 2 0 12 20 1 0 13 2 1 0 14 7 1 0 15 4 1 0 16 8 1 0 17 19 1 0 18 17 2 0 19 16 1 0 20 15 2 0 21 15 1 0 22 18 1 0 23 25 1 0 24 23 2 0 25 19 2 0 5 12 2 0 24 18 1 0 M END > 103538 > Bioorg. Med. Chem. Lett. 13(8)-2003 1463-1467 > fXa > 5.1079 $$$$ SciTegic07090714202D 25 28 0 0 0 0 999 V2000 2.5889 0.0182 0.0000 C 0 0 4.0896 0.0290 0.0000 C 0 0 1.7138 -1.2033 0.0000 O 0 0 1.7138 1.2033 0.0000 C 0 0 4.9234 1.2700 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 6.4199 1.1671 0.0000 C 0 0 -3.6217 1.4865 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -4.6560 0.8780 0.0000 N 0 0 7.2576 2.4123 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -3.6319 2.6865 0.0000 N 0 0 4.3957 2.3477 0.0000 O 0 0 4.7453 -1.3220 0.0000 C 0 0 7.0791 -0.1803 0.0000 C 0 0 6.2418 -1.4248 0.0000 C 0 0 6.6006 3.7609 0.0000 C 0 0 8.7540 2.3072 0.0000 C 0 0 9.5932 3.5505 0.0000 C 0 0 7.4399 5.0041 0.0000 C 0 0 8.9362 4.8989 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 1 2 0 5 2 2 0 6 4 1 0 7 3 1 0 8 5 1 0 9 10 1 0 10 11 1 0 11 6 2 0 12 9 2 0 13 8 1 0 14 7 2 0 15 14 1 0 16 9 1 0 17 5 1 0 18 2 1 0 19 20 1 0 20 18 2 0 21 13 1 0 22 13 2 0 23 22 1 0 24 21 2 0 25 23 2 0 7 6 1 0 10 15 2 0 19 8 2 0 25 24 1 0 M END > 88216 > J. Med. Chem. 44(17)-2001 2753-2771 > fXa > 5.1675 $$$$ SciTegic07090714202D 25 28 0 0 0 0 999 V2000 2.5889 0.0182 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 4.0896 0.0290 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 0.2917 0.7475 0.0000 C 0 0 4.9397 -1.2009 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 6.4347 -1.0783 0.0000 C 0 0 -3.6217 1.4865 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 7.2913 -2.3107 0.0000 O 0 0 -4.6560 0.8780 0.0000 N 0 0 -1.0028 -1.5132 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -3.6319 2.6865 0.0000 N 0 0 4.4262 -2.2855 0.0000 O 0 0 4.7275 1.3885 0.0000 C 0 0 8.7869 -2.1860 0.0000 C 0 0 7.0761 0.2776 0.0000 C 0 0 6.2225 1.5110 0.0000 C 0 0 9.7469 -3.3219 0.0000 C 0 0 9.5403 -0.9037 0.0000 C 0 0 11.0012 -1.2440 0.0000 C 0 0 11.1289 -2.7386 0.0000 C 0 0 2 1 2 0 3 1 1 0 4 1 1 0 5 2 1 0 6 3 2 0 7 4 1 0 8 6 1 0 9 10 1 0 10 11 1 0 11 5 2 0 12 8 1 0 13 9 2 0 14 7 2 0 15 14 1 0 16 9 1 0 17 6 1 0 18 3 1 0 19 12 1 0 20 21 1 0 21 18 2 0 22 19 1 0 23 19 1 0 24 23 1 0 25 22 1 0 7 5 1 0 15 10 2 0 20 8 2 0 24 25 1 0 M END > 4422 > Bioorg. Med. Chem. Lett. 12(15)-2002 2019-2022 > fXa > 5.8239 $$$$ SciTegic07090714202D 25 27 0 0 1 0 999 V2000 3.9511 -0.8815 0.0000 C 0 0 2.5987 -1.5004 0.0000 N 0 0 8.4073 -6.3490 0.0000 C 0 0 9.1381 -7.6444 0.0000 S 0 0 4.9531 -1.9978 0.0000 O 0 0 10.6047 -7.3297 0.0000 C 0 0 6.9148 -6.1919 0.0000 C 0 0 9.3872 -5.2301 0.0000 C 0 0 10.7587 -5.8376 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 4.2010 -3.2956 0.0000 C 0 0 2 0 0 0 2.7343 -2.9815 0.0000 C 0 0 6.3036 -4.8212 0.0000 N 0 0 4.1955 0.2934 0.0000 O 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.5973 1.5031 0.0000 N 0 0 6.2096 -7.1629 0.0000 O 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 4.8111 -4.6641 0.0000 C 0 0 11.4980 -8.1309 0.0000 Cl 0 0 -2.5956 2.7031 0.0000 C 0 0 -3.6375 0.9049 0.0000 C 0 0 2 1 1 0 3 7 1 0 4 3 1 0 5 1 1 0 6 4 1 0 7 13 1 0 8 3 2 0 9 8 1 0 10 2 1 0 11 5 1 0 12 2 1 0 13 22 1 0 14 1 2 0 15 20 1 0 16 15 1 0 17 7 2 0 18 10 2 0 19 10 1 0 20 19 2 0 21 18 1 0 11 22 1 1 23 6 1 0 24 16 1 0 25 16 1 0 12 11 1 0 15 21 2 0 6 9 2 0 M END > 161578 > J. Med. Chem. 48(19)-2005 5900-5908 > fXa > 7.1308 $$$$ SciTegic07090714202D 26 27 0 0 1 0 999 V2000 -2.6078 5.9988 0.0000 S 0 0 -1.3070 5.2502 0.0000 N 0 0 -1.3039 3.7494 0.0000 C 0 0 2 0 0 0 -2.6008 2.9940 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 -2.6109 7.4996 0.0000 C 0 0 -2.6059 4.7988 0.0000 O 0 0 -3.6460 5.3969 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 -0.0031 3.0008 0.0000 C 0 0 2.5956 -2.7031 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 -3.6421 3.5904 0.0000 O 0 0 0.0000 1.5000 0.0000 C 0 0 -3.9115 8.2469 0.0000 C 0 0 -1.3135 8.2523 0.0000 C 0 0 -2.5961 1.4932 0.0000 N 0 0 3.6375 -0.9049 0.0000 N 0 0 -3.9146 9.7469 0.0000 C 0 0 -1.3166 9.7523 0.0000 C 0 0 -2.6171 10.4996 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -3.6330 0.8893 0.0000 C 0 0 -2.6196 11.6996 0.0000 C 0 0 2 1 1 0 3 2 1 0 4 3 1 0 5 9 1 0 6 1 1 0 7 1 2 0 8 1 2 0 9 12 2 0 3 10 1 1 11 5 2 0 12 14 1 0 13 4 2 0 14 10 1 0 15 6 2 0 16 6 1 0 17 4 1 0 18 5 1 0 19 15 1 0 20 16 2 0 21 20 1 0 22 23 2 0 23 24 1 0 24 14 2 0 25 17 1 0 26 21 1 0 21 19 2 0 22 9 1 0 M END > 49897 > J. Med. Chem. 42(3)-1999 458-477 > fXa > 4.3980 $$$$ SciTegic07090714202D 26 27 0 0 1 0 999 V2000 5.1894 -6.0109 0.0000 C 0 0 5.1873 -7.5117 0.0000 C 0 0 1.2990 -0.7500 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 6.3978 -8.3758 0.0000 N 0 0 2.5951 -3.0039 0.0000 C 0 0 -0.0083 -10.5119 0.0000 C 0 0 3.8912 -5.2578 0.0000 C 0 0 1 0 0 0 3.8933 -3.7570 0.0000 N 0 0 3.9707 -8.3673 0.0000 S 0 0 2.5973 -1.5031 0.0000 C 0 0 -0.0087 -11.7119 0.0000 N 0 0 6.2297 -5.4127 0.0000 O 0 0 5.9293 -9.8007 0.0000 C 0 0 -1.2990 0.7500 0.0000 N 0 0 4.4293 -9.7955 0.0000 C 0 0 2.3383 1.3500 0.0000 O 0 0 1.5548 -3.6021 0.0000 O 0 0 1.2912 -9.7611 0.0000 N 0 0 -1.0475 -9.9119 0.0000 N 0 0 0.0000 1.5000 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 2.5917 -6.0086 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 1.2917 -8.2603 0.0000 C 0 0 2.5912 -7.5095 0.0000 C 0 0 2 1 1 0 3 11 1 0 4 3 1 0 5 2 2 0 6 9 1 0 7 19 1 0 8 1 1 0 9 8 1 0 10 2 1 0 11 6 1 0 12 7 2 0 13 1 2 0 14 5 1 0 15 24 1 0 16 10 1 0 17 4 2 0 18 6 2 0 19 25 1 0 20 7 1 0 21 4 1 0 22 3 1 0 8 23 1 6 24 22 1 0 25 26 1 0 26 23 1 0 16 14 2 0 15 21 1 0 M END > 101357 > Bioorg. Med. Chem. Lett. 13(4)-2003 723-728 > fXa > 4.6576 $$$$ SciTegic07090714202D 26 28 0 0 0 0 999 V2000 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 O 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -3.9086 -1.5029 0.0000 C 0 0 -5.2134 -5.2527 0.0000 C 0 0 -3.9097 -3.0028 0.0000 C 0 0 -5.2093 -3.7519 0.0000 C 0 0 -3.6486 1.3517 0.0000 O 0 0 -6.2539 -5.8505 0.0000 N 0 0 -4.1756 -5.8552 0.0000 N 0 0 -1.2907 2.9981 0.0000 C 0 0 -4.9082 8.1170 0.0000 N 0 0 -5.2071 -0.7519 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 -6.5078 -3.0010 0.0000 C 0 0 -6.5067 -1.5010 0.0000 C 0 0 -3.8717 7.5123 0.0000 C 0 0 -2.5870 3.7544 0.0000 C 0 0 -3.8775 6.0115 0.0000 C 0 0 -2.5812 5.2552 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 3 1 0 5 2 1 0 6 4 1 0 7 3 1 0 8 10 1 0 9 7 1 0 10 9 2 0 11 1 2 0 12 8 2 0 13 8 1 0 14 2 1 0 15 21 1 0 16 7 2 0 17 5 1 0 18 6 1 0 19 20 2 0 20 16 1 0 21 23 1 0 22 14 1 0 23 24 1 0 24 22 1 0 25 17 2 0 26 18 2 0 6 5 2 0 19 10 1 0 26 25 1 0 M END > 74133 > J. Med. Chem. 43(22)-2000 4063-4070 > fXa > 5.2007 $$$$ SciTegic07090714202D 26 28 0 0 0 0 999 V2000 -2.5951 3.0039 0.0000 C 0 0 -3.3372 5.2929 0.0000 C 0 0 -3.8056 3.8679 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 -4.2111 6.5099 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 -1.7375 11.9782 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 -2.3546 10.6101 0.0000 C 0 0 2.5956 -2.7031 0.0000 N 0 0 -2.4375 12.9529 0.0000 N 0 0 -1.3786 3.8595 0.0000 C 0 0 -1.8372 5.2877 0.0000 C 0 0 -4.9460 3.4943 0.0000 O 0 0 -1.2990 0.7500 0.0000 C 0 0 -3.5939 7.8779 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -3.8475 10.4637 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.4814 9.3905 0.0000 C 0 0 -0.5434 12.0974 0.0000 N 0 0 3.6375 -0.9049 0.0000 N 0 0 -4.4671 9.0976 0.0000 C 0 0 -2.1010 8.0244 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 2 3 1 0 3 1 1 0 4 1 2 0 5 2 2 0 6 8 1 0 7 9 1 0 8 17 1 0 9 20 1 0 10 6 2 0 11 7 2 0 12 1 1 0 13 12 1 0 14 3 2 0 15 4 1 0 16 5 1 0 17 26 2 0 18 23 1 0 19 25 1 0 20 24 2 0 21 7 1 0 22 6 1 0 23 16 2 0 24 16 1 0 25 15 2 0 26 15 1 0 2 13 1 0 19 8 2 0 18 9 2 0 M END > 55625 > J. Med. Chem. 42(26)-1999 5415-5425 > fXa > 5.3372 $$$$ SciTegic07090714202D 26 29 0 0 0 0 999 V2000 2.5889 0.0182 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 4.0896 0.0290 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 0.2917 0.7475 0.0000 C 0 0 4.9397 -1.2009 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 6.4347 -1.0783 0.0000 C 0 0 -3.6217 1.4865 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 7.2913 -2.3107 0.0000 O 0 0 -4.6560 0.8780 0.0000 N 0 0 -1.0028 -1.5132 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -3.6319 2.6865 0.0000 N 0 0 4.4262 -2.2855 0.0000 O 0 0 4.7275 1.3885 0.0000 C 0 0 8.7869 -2.1860 0.0000 C 0 0 7.0761 0.2776 0.0000 C 0 0 6.2225 1.5110 0.0000 C 0 0 9.6449 -3.4165 0.0000 C 0 0 9.4237 -0.8278 0.0000 C 0 0 10.9182 -0.7001 0.0000 C 0 0 11.1394 -3.2888 0.0000 C 0 0 11.7761 -1.9306 0.0000 C 0 0 2 1 2 0 3 1 1 0 4 1 1 0 5 2 1 0 6 3 2 0 7 4 1 0 8 6 1 0 9 10 1 0 10 11 1 0 11 5 2 0 12 8 1 0 13 9 2 0 14 7 2 0 15 14 1 0 16 9 1 0 17 6 1 0 18 3 1 0 19 12 1 0 20 21 1 0 21 18 2 0 22 19 2 0 23 19 1 0 24 23 2 0 25 22 1 0 26 24 1 0 7 5 1 0 15 10 2 0 20 8 2 0 26 25 2 0 M END > 4418 > Bioorg. Med. Chem. Lett. 12(15)-2002 2019-2022 > fXa > 5.6778 $$$$ SciTegic07090714202D 26 28 0 0 0 0 999 V2000 -5.1466 12.0177 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 -5.1539 10.5169 0.0000 C 0 0 -6.1825 12.6234 0.0000 N 0 0 2.5956 -2.7031 0.0000 N 0 0 -3.8915 3.7585 0.0000 C 0 0 -2.5951 3.0039 0.0000 C 0 0 -3.8864 5.2585 0.0000 C 0 0 -5.1820 6.0160 0.0000 O 0 0 -2.5973 1.5031 0.0000 O 0 0 1.2990 0.7500 0.0000 C 0 0 -3.8601 9.7579 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -6.4581 9.7759 0.0000 C 0 0 -4.1043 12.6123 0.0000 N 0 0 3.6375 -0.9049 0.0000 N 0 0 -5.1747 7.5168 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -3.8704 8.2579 0.0000 C 0 0 -6.4685 8.2759 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2883 5.2495 0.0000 C 0 0 -2.5847 6.0040 0.0000 C 0 0 -1.2935 3.7495 0.0000 C 0 0 2 3 1 0 3 12 2 0 4 1 1 0 5 1 2 0 6 2 2 0 7 9 2 0 8 7 1 0 9 10 1 0 10 18 1 0 11 8 1 0 12 23 1 0 13 4 2 0 14 22 2 0 15 4 1 0 16 1 1 0 17 2 1 0 18 21 1 0 19 11 1 0 20 13 1 0 21 15 2 0 22 19 1 0 23 19 2 0 24 25 2 0 25 9 1 0 26 24 1 0 18 20 2 0 8 26 2 0 3 14 1 0 M END > 51667 > J. Med. Chem. 42(10)-1999 1749-1756 > fXa > 6.0132 $$$$ SciTegic07090714202D 26 29 0 0 1 0 999 V2000 0.2917 0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 O 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 -3.6217 1.4865 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -4.6560 0.8780 0.0000 N 0 0 12.1274 -4.8416 0.0000 N 0 0 -1.0028 -1.5132 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 10.8520 -1.1982 0.0000 O 0 0 -3.6319 2.6865 0.0000 N 0 0 4.0872 0.0320 0.0000 C 0 0 9.3512 -1.2122 0.0000 C 0 0 6.3513 -1.2462 0.0000 C 0 0 11.6153 -2.4905 0.0000 C 0 0 1 0 0 0 4.8506 -1.2602 0.0000 C 0 0 8.6160 -2.5196 0.0000 C 0 0 8.5865 0.0783 0.0000 C 0 0 7.1161 -2.5366 0.0000 C 0 0 7.0866 0.0613 0.0000 C 0 0 13.0971 -2.6167 0.0000 C 0 0 13.4205 -4.0814 0.0000 C 0 0 11.0049 -3.8467 0.0000 C 0 0 2 5 1 0 3 4 2 0 4 1 1 0 5 1 2 0 6 7 1 0 7 8 2 0 8 1 1 0 9 6 2 0 10 26 1 0 11 5 1 0 12 7 1 0 13 16 1 0 14 6 1 0 15 3 1 0 16 21 2 0 17 19 1 0 18 13 1 1 19 15 1 0 20 22 2 0 21 23 1 0 22 17 1 0 23 17 2 0 24 18 1 0 25 24 1 0 26 18 1 0 2 3 1 0 12 11 2 0 16 20 1 0 10 25 1 0 M END > 16142 > J. Med. Chem. 37(8)-1994 1200-1207 > fXa > 6.0269 $$$$ SciTegic07090714202D 26 29 0 0 0 0 999 V2000 8.5820 2.1467 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 O 0 0 7.2015 0.1663 0.0000 O 0 0 6.3215 1.3677 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 7.1507 2.5724 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 8.6136 0.6520 0.0000 C 0 0 12.4790 2.9682 0.0000 C 0 0 -3.6217 1.4865 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 11.1886 2.2018 0.0000 C 0 0 9.8601 2.9396 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 13.5259 2.3817 0.0000 N 0 0 -4.6560 0.8780 0.0000 N 0 0 9.9240 -0.0862 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 11.2202 0.7071 0.0000 C 0 0 -3.6319 2.6865 0.0000 N 0 0 12.4639 4.1681 0.0000 N 0 0 4.8208 1.3475 0.0000 C 0 0 4.0872 0.0382 0.0000 C 0 0 2 8 1 0 3 6 1 0 4 10 1 0 5 7 2 0 6 26 1 0 7 1 1 0 8 6 2 0 9 3 1 0 10 1 1 0 11 14 1 0 12 13 1 0 13 16 2 0 14 15 1 0 15 1 2 0 16 2 1 0 17 11 2 0 18 12 2 0 19 10 2 0 20 9 1 0 21 20 2 0 22 14 2 0 23 12 1 0 24 11 1 0 25 5 1 0 26 25 1 0 4 5 1 0 19 22 1 0 9 2 2 0 13 21 1 0 M END > 16140 > J. Med. Chem. 37(8)-1994 1200-1207 > fXa > 7.0000 $$$$ SciTegic07090714202D 27 30 0 0 1 0 999 V2000 2.5889 0.0182 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 -2.3155 0.7475 0.0000 C 0 0 4.0896 0.0290 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 0.2917 0.7475 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 4.9397 -1.2009 0.0000 C 0 0 -3.6187 1.4919 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -3.6251 2.6919 0.0000 N 0 0 6.4347 -1.0783 0.0000 C 0 0 9.1349 -4.8160 0.0000 N 0 0 7.2913 -2.3107 0.0000 O 0 0 -4.6549 0.8867 0.0000 N 0 0 -3.3560 -1.3452 0.0000 F 0 0 4.4262 -2.2855 0.0000 O 0 0 4.7275 1.3885 0.0000 C 0 0 8.7869 -2.1860 0.0000 C 0 0 9.6435 -3.4184 0.0000 C 0 0 1 0 0 0 6.2225 1.5110 0.0000 C 0 0 10.3279 -5.7253 0.0000 C 0 0 7.0761 0.2776 0.0000 C 0 0 11.1307 -3.4348 0.0000 C 0 0 11.5613 -4.8716 0.0000 C 0 0 2 1 2 0 3 8 1 0 4 1 1 0 5 1 1 0 6 2 1 0 7 5 1 0 8 6 2 0 9 12 1 0 10 4 2 0 11 3 1 0 12 7 2 0 13 11 2 0 14 10 1 0 15 22 1 0 16 14 1 0 17 11 1 0 18 9 1 0 19 10 1 0 20 4 1 0 21 16 1 0 22 21 1 1 23 20 2 0 24 15 1 0 25 23 1 0 26 22 1 0 27 26 1 0 7 6 1 0 9 3 2 0 25 14 2 0 27 24 1 0 M END > 4433 > Bioorg. Med. Chem. Lett. 12(15)-2002 2019-2022 > fXa > 3.7773 $$$$ SciTegic07090714202D 27 29 0 0 0 0 999 V2000 2.5951 -3.0039 0.0000 C 0 0 2.5973 -1.5031 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 3.8933 -3.7570 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 1.5548 -3.6021 0.0000 O 0 0 2.5972 1.5031 0.0000 O 0 0 3.8934 -5.2570 0.0000 C 0 0 5.1925 -3.0070 0.0000 C 0 0 2.5951 3.0039 0.0000 C 0 0 3.8933 3.7570 0.0000 C 0 0 6.4915 -5.2571 0.0000 C 0 0 6.4914 5.2571 0.0000 C 0 0 6.4915 -3.7571 0.0000 C 0 0 5.1924 -6.0070 0.0000 C 0 0 3.8933 5.2571 0.0000 C 0 0 5.1925 3.0071 0.0000 C 0 0 6.4915 3.7571 0.0000 C 0 0 5.1924 6.0071 0.0000 C 0 0 7.7897 -6.0102 0.0000 O 0 0 7.7896 6.0103 0.0000 O 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 7.7879 -7.2102 0.0000 C 0 0 7.7879 7.2103 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 2 1 1 0 3 2 1 0 4 1 1 0 5 3 2 0 6 1 2 0 7 5 1 0 8 4 2 0 9 4 1 0 10 7 1 0 11 10 1 0 12 14 1 0 13 18 2 0 14 9 2 0 15 8 1 0 16 11 1 0 17 11 2 0 18 17 1 0 19 16 2 0 20 12 1 0 21 13 1 0 22 3 1 0 23 5 1 0 24 20 1 0 25 21 1 0 26 22 2 0 27 26 1 0 12 15 2 0 23 27 2 0 19 13 1 0 M END > 124429 > J. Med. Chem. 43(5)-2000 873-882 > fXa > 4.0000 $$$$ SciTegic07090714202D 27 30 0 0 0 0 999 V2000 1.7138 -1.2033 0.0000 N 0 0 1.7138 1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 2.1855 -2.6254 0.0000 C 0 0 -3.6187 1.4919 0.0000 C 0 0 3.6552 -2.9294 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -3.6251 2.6919 0.0000 N 0 0 4.1277 -4.3539 0.0000 C 0 0 5.0663 -7.2034 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 4.4530 -2.0330 0.0000 O 0 0 5.5962 -4.6599 0.0000 C 0 0 3.1285 -5.4728 0.0000 C 0 0 3.5978 -6.8975 0.0000 C 0 0 6.0655 -6.0846 0.0000 C 0 0 5.5359 -8.6288 0.0000 C 0 0 -4.6549 0.8867 0.0000 N 0 0 7.0039 -8.9371 0.0000 C 0 0 4.5349 -9.7461 0.0000 C 0 0 5.0020 -11.1715 0.0000 C 0 0 7.4709 -10.3626 0.0000 C 0 0 6.4700 -11.4798 0.0000 C 0 0 2 3 2 0 3 1 1 0 4 5 2 0 5 1 1 0 6 1 1 0 7 9 1 0 8 6 1 0 9 15 1 0 10 4 1 0 11 5 1 0 12 7 2 0 13 8 1 0 14 19 1 0 15 11 2 0 16 8 2 0 17 13 2 0 18 13 1 0 19 18 2 0 20 17 1 0 21 14 1 0 22 7 1 0 23 21 2 0 24 21 1 0 25 24 2 0 26 23 1 0 27 25 1 0 4 2 1 0 9 10 2 0 14 20 2 0 27 26 2 0 M END > 74880 > J. Med. Chem. 43(23)-2000 4398-4415 > fXa > 5.5686 $$$$ SciTegic07090714202D 27 29 0 0 0 0 999 V2000 -6.5151 9.7392 0.0000 N 0 0 2.5973 -1.5031 0.0000 C 0 0 -2.6109 7.4996 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 2.5956 -2.7031 0.0000 N 0 0 -7.8174 10.4850 0.0000 C 0 0 -3.9118 8.2481 0.0000 C 0 0 -6.5099 8.2392 0.0000 C 0 0 -5.2187 10.4937 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -1.5728 8.1014 0.0000 O 0 0 -10.4184 11.9802 0.0000 N 0 0 -3.9171 9.7482 0.0000 C 0 0 -5.2083 7.4937 0.0000 C 0 0 -2.6078 5.9988 0.0000 N 0 0 3.6375 -0.9049 0.0000 N 0 0 0.0000 1.5000 0.0000 C 0 0 -9.1151 9.7327 0.0000 C 0 0 -7.8203 11.9851 0.0000 C 0 0 -0.0031 3.0008 0.0000 O 0 0 -9.1207 12.7327 0.0000 C 0 0 -10.4156 10.4802 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.3070 5.2502 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.3039 3.7494 0.0000 C 0 0 2 4 1 0 3 7 1 0 4 10 2 0 5 2 2 0 6 1 1 0 7 13 1 0 8 1 1 0 9 1 1 0 10 17 1 0 11 3 2 0 12 21 1 0 13 9 1 0 14 8 1 0 15 3 1 0 16 2 1 0 17 20 1 0 18 6 2 0 19 6 1 0 20 27 1 0 21 19 2 0 22 18 1 0 23 24 2 0 24 26 1 0 25 15 1 0 26 17 2 0 27 25 1 0 7 14 1 0 12 22 2 0 23 4 1 0 M END > 110461 > J. Med. Chem. 46(10)-2003 1845-1857 > fXa > 6.5376 $$$$ SciTegic07090714202D 27 30 0 0 0 0 999 V2000 -2.6111 0.7486 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 9.0923 2.9919 0.0000 N 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -4.9506 0.8952 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 10.3921 3.7422 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 7.7933 3.7419 0.0000 C 0 0 9.0923 1.4919 0.0000 C 0 0 12.9927 5.2381 0.0000 N 0 0 -1.2964 -1.4973 0.0000 C 0 0 -3.9141 2.6966 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 3.8942 1.4964 0.0000 O 0 0 10.3946 5.2423 0.0000 C 0 0 11.6900 2.9902 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 7.7932 0.7419 0.0000 C 0 0 6.4943 2.9919 0.0000 C 0 0 5.1929 0.7441 0.0000 C 0 0 6.4942 1.4919 0.0000 C 0 0 12.9902 3.7381 0.0000 C 0 0 11.6948 5.9902 0.0000 C 0 0 2 1 1 0 3 11 1 0 4 5 1 0 5 1 1 0 6 2 2 0 7 14 1 0 8 3 1 0 9 1 1 0 10 4 1 0 11 23 1 0 12 22 1 0 13 26 1 0 14 9 1 0 15 2 1 0 16 7 1 0 17 10 2 0 18 17 1 0 19 8 2 0 20 8 1 0 21 16 2 0 22 25 1 0 23 25 1 0 24 18 1 0 25 24 1 0 26 20 2 0 27 19 1 0 7 4 2 0 21 17 1 0 12 3 1 0 27 13 2 0 M END > 151921 > J. Med. Chem. 48(10)-2005 3586-3604 > fXa > 7.2518 $$$$ SciTegic07090714202D 28 31 0 0 0 0 999 V2000 2.5889 0.0182 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 -2.3155 0.7475 0.0000 C 0 0 4.0896 0.0290 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 0.2917 0.7475 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 4.9397 -1.2009 0.0000 C 0 0 -3.6187 1.4919 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -3.6251 2.6919 0.0000 N 0 0 6.4347 -1.0783 0.0000 C 0 0 7.2913 -2.3107 0.0000 O 0 0 11.9922 -4.5293 0.0000 N 0 0 -4.6549 0.8867 0.0000 N 0 0 -3.3560 -1.3452 0.0000 F 0 0 4.4262 -2.2855 0.0000 O 0 0 9.6435 -3.4184 0.0000 C 0 0 8.7869 -2.1860 0.0000 C 0 0 4.7275 1.3885 0.0000 C 0 0 11.1385 -3.2959 0.0000 C 0 0 6.2225 1.5110 0.0000 C 0 0 11.3508 -5.8853 0.0000 C 0 0 7.0761 0.2776 0.0000 C 0 0 9.0022 -4.7744 0.0000 C 0 0 9.8558 -6.0078 0.0000 C 0 0 2 1 2 0 3 8 1 0 4 1 1 0 5 1 1 0 6 2 1 0 7 5 1 0 8 6 2 0 9 12 1 0 10 4 2 0 11 3 1 0 12 7 2 0 13 11 2 0 14 10 1 0 15 14 1 0 16 23 1 0 17 11 1 0 18 9 1 0 19 10 1 0 20 21 1 0 21 15 1 0 22 4 1 0 23 20 1 0 24 22 2 0 25 28 1 0 26 24 1 0 27 20 1 0 28 27 1 0 7 6 1 0 9 3 2 0 26 14 2 0 25 16 1 0 M END > 4434 > Bioorg. Med. Chem. Lett. 12(15)-2002 2019-2022 > fXa > 3.9031 $$$$ SciTegic07090714202D 28 29 0 0 1 0 999 V2000 3.8933 -3.7570 0.0000 N 0 0 2.5951 -3.0039 0.0000 C 0 0 2.9122 -6.2341 0.0000 C 0 0 4.0312 -5.2378 0.0000 C 0 0 2 0 0 0 0.7606 -15.1077 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 2 0 0 0 3.2151 -7.7040 0.0000 N 0 0 1.5548 -3.6021 0.0000 O 0 0 -0.1357 -15.9056 0.0000 N 0 0 1.7732 -5.8565 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.4578 -13.6378 0.0000 N 0 0 1.8996 -15.4853 0.0000 N 0 0 -0.2269 -9.0315 0.0000 O 0 0 5.2447 -3.1359 0.0000 C 0 0 0.6685 -8.2326 0.0000 C 0 0 2.0941 -8.7020 0.0000 C 0 0 2 0 0 0 5.4984 -5.5497 0.0000 C 0 0 6.2484 -4.2507 0.0000 C 0 0 3.6375 -0.9049 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.5788 -12.6398 0.0000 C 0 0 2.3969 -10.1719 0.0000 C 0 0 1.2759 -11.1699 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 2 1 1 0 3 4 1 0 4 1 1 0 5 12 1 0 6 2 1 0 7 3 1 0 8 2 2 0 9 5 2 0 10 3 2 0 6 11 1 6 12 23 1 0 13 5 1 0 14 16 2 0 15 1 1 0 16 17 1 0 17 7 1 0 4 18 1 1 19 15 1 0 20 6 1 0 21 11 2 0 22 11 1 0 23 25 1 0 17 24 1 1 25 24 1 0 26 22 2 0 27 21 1 0 28 26 1 0 19 18 1 0 28 27 2 0 M END > 84113 > J. Med. Chem. 36(3)-1993 314-319 > fXa > 4.0915 $$$$ SciTegic07090714202D 28 30 0 0 0 0 999 V2000 1.6852 -0.3846 0.0000 C 0 0 0.0000 1.7286 0.0000 C 0 0 1.3514 1.0778 0.0000 C 0 0 -0.0031 3.2314 0.0000 C 0 0 3.1497 -0.7220 0.0000 C 0 0 4.9048 -6.4614 0.0000 C 0 0 -5.2080 6.2196 0.0000 C 0 0 -3.9072 5.4710 0.0000 C 0 0 4.4644 -5.0266 0.0000 C 0 0 6.0742 -6.7308 0.0000 N 0 0 -5.2104 7.4196 0.0000 N 0 0 2.2896 1.8259 0.0000 O 0 0 -1.3039 3.9799 0.0000 C 0 0 3.5900 -2.1568 0.0000 C 0 0 3.0032 -4.6878 0.0000 C 0 0 -2.6108 6.2255 0.0000 C 0 0 5.4884 -3.9306 0.0000 C 0 0 -3.9020 3.9710 0.0000 C 0 0 -6.2462 5.6178 0.0000 N 0 0 4.0871 -7.3397 0.0000 N 0 0 -1.3092 5.4799 0.0000 C 0 0 5.0512 -2.4957 0.0000 C 0 0 2.5660 -3.2530 0.0000 C 0 0 -2.6004 3.2255 0.0000 C 0 0 0.7500 -1.5574 0.0000 C 0 0 -1.3515 1.0777 0.0000 C 0 0 -0.7500 -1.5574 0.0000 C 0 0 -1.6852 -0.3847 0.0000 C 0 0 2 3 1 0 3 1 1 0 4 2 2 0 5 1 2 0 6 9 1 0 7 8 1 0 8 18 2 0 9 15 1 0 10 6 2 0 11 7 2 0 12 3 2 0 13 4 1 0 14 5 1 0 15 23 2 0 16 21 2 0 17 22 1 0 18 24 1 0 19 7 1 0 20 6 1 0 21 13 1 0 22 14 2 0 23 14 1 0 24 13 2 0 25 1 1 0 26 2 1 0 27 25 1 0 28 27 1 0 26 28 1 0 17 9 2 0 16 8 1 0 M END > 55627 > J. Med. Chem. 42(26)-1999 5415-5425 > fXa > 4.7696 $$$$ SciTegic07090714202D 28 30 0 0 0 0 999 V2000 -3.9106 1.4992 0.0000 S 0 0 -2.6111 0.7486 0.0000 C 0 0 -3.9114 3.0001 0.0000 N 0 0 -11.7125 10.4992 0.0000 C 0 0 -5.2110 3.7506 0.0000 C 0 0 -5.2118 5.2515 0.0000 C 0 0 -4.9497 0.8990 0.0000 O 0 0 -4.9500 2.0989 0.0000 O 0 0 -1.2964 1.4973 0.0000 C 0 0 -10.4128 9.7486 0.0000 C 0 0 -11.7131 11.6992 0.0000 N 0 0 0.0000 0.7486 0.0000 C 0 0 -6.5114 6.0021 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 -4.1727 5.8517 0.0000 O 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -9.1152 10.5010 0.0000 C 0 0 -10.4100 8.2485 0.0000 C 0 0 -12.7516 9.8990 0.0000 N 0 0 -6.5122 7.5029 0.0000 C 0 0 -7.8118 8.2535 0.0000 C 0 0 -7.8148 9.7535 0.0000 C 0 0 -9.1095 7.5010 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 10 1 0 5 3 1 0 6 5 1 0 7 1 2 0 8 1 2 0 9 2 1 0 10 19 2 0 11 4 2 0 12 9 2 0 13 6 1 0 14 2 2 0 15 6 2 0 16 17 2 0 17 14 1 0 18 23 2 0 19 24 1 0 20 4 1 0 21 13 1 0 22 21 1 0 23 22 1 0 24 22 2 0 25 12 1 0 26 16 1 0 27 25 2 0 28 26 2 0 12 16 1 0 27 28 1 0 10 18 1 0 M END > 1171 > Bioorg. Med. Chem. Lett. 12(4)-2002 645-648 > fXa > 4.9747 $$$$ SciTegic07090714202D 28 31 0 0 0 0 999 V2000 1.7138 -1.2033 0.0000 N 0 0 1.7138 1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 -3.6187 1.4919 0.0000 C 0 0 3.6552 -2.9294 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 2.1855 -2.6254 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 4.1277 -4.3539 0.0000 N 0 0 -3.6251 2.6919 0.0000 N 0 0 8.5365 -5.2597 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 4.4530 -2.0330 0.0000 O 0 0 10.0068 -5.5607 0.0000 C 0 0 7.5412 -6.3819 0.0000 C 0 0 8.0623 -3.8366 0.0000 C 0 0 -4.6549 0.8867 0.0000 N 0 0 5.5974 -4.6579 0.0000 C 0 0 6.0717 -6.0810 0.0000 C 0 0 6.5928 -3.5357 0.0000 C 0 0 11.0040 -4.4401 0.0000 C 0 0 10.4788 -6.9845 0.0000 C 0 0 11.9479 -7.2877 0.0000 C 0 0 12.4730 -4.7433 0.0000 C 0 0 12.9450 -6.1671 0.0000 C 0 0 2 3 2 0 3 1 1 0 4 5 2 0 5 1 1 0 6 8 1 0 7 9 1 0 8 15 1 0 9 1 1 0 10 4 1 0 11 5 1 0 12 7 1 0 13 6 2 0 14 19 2 0 15 11 2 0 16 7 2 0 17 14 1 0 18 22 2 0 19 23 1 0 20 6 1 0 21 12 1 0 22 21 1 0 23 21 2 0 24 17 2 0 25 17 1 0 26 25 2 0 27 24 1 0 28 26 1 0 4 2 1 0 8 10 2 0 18 14 1 0 28 27 2 0 M END > 74883 > J. Med. Chem. 43(23)-2000 4398-4415 > fXa > 5.4089 $$$$ SciTegic07090714202D 28 31 0 0 0 0 999 V2000 -2.6111 0.7486 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 9.0923 2.9919 0.0000 N 0 0 -4.9506 0.8952 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 12.9941 3.7327 0.0000 N 0 0 -1.2964 -1.4973 0.0000 C 0 0 -3.9141 2.6966 0.0000 N 0 0 10.3937 3.7396 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 3.8942 1.4964 0.0000 O 0 0 11.6923 2.9873 0.0000 C 0 0 9.0923 1.4919 0.0000 C 0 0 7.7933 3.7419 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 5.1929 0.7441 0.0000 C 0 0 6.4942 1.4919 0.0000 C 0 0 7.7932 0.7419 0.0000 C 0 0 6.4943 2.9919 0.0000 C 0 0 14.2905 2.9781 0.0000 C 0 0 11.6872 1.4872 0.0000 C 0 0 14.2852 1.4781 0.0000 C 0 0 12.9836 0.7327 0.0000 C 0 0 2 1 1 0 3 4 1 0 4 1 1 0 5 19 1 0 6 2 2 0 7 11 1 0 8 1 1 0 9 3 1 0 10 17 1 0 11 8 1 0 12 2 1 0 13 5 1 0 14 7 1 0 15 9 2 0 16 15 1 0 17 13 1 0 18 23 1 0 19 24 1 0 20 14 2 0 21 16 1 0 22 21 1 0 23 22 1 0 24 22 1 0 25 10 2 0 26 17 2 0 27 28 2 0 28 26 1 0 7 3 2 0 20 15 1 0 18 5 1 0 25 27 1 0 M END > 151924 > J. Med. Chem. 48(10)-2005 3586-3604 > fXa > 5.8697 $$$$ SciTegic07090714202D 28 31 0 0 0 0 999 V2000 7.0134 5.2783 0.0000 S 0 0 6.2823 3.9676 0.0000 N 0 0 6.3207 1.3698 0.0000 C 0 0 4.8208 1.3475 0.0000 N 0 0 7.0514 2.6798 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 1.7138 1.2033 0.0000 C 0 0 11.5893 7.8602 0.0000 S 0 0 13.0220 7.4158 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 10.7458 6.6353 0.0000 C 0 0 4.0872 0.0382 0.0000 C 0 0 4.7825 3.9454 0.0000 C 0 0 8.5140 5.3015 0.0000 C 0 0 13.0420 5.9159 0.0000 C 0 0 6.3978 6.3084 0.0000 O 0 0 7.5975 6.3266 0.0000 O 0 0 11.6218 5.4334 0.0000 C 0 0 4.0518 2.6354 0.0000 C 0 0 6.9360 0.3396 0.0000 O 0 0 9.2452 6.6122 0.0000 C 0 0 -2.3155 0.7475 0.0000 N 0 0 13.9833 8.1341 0.0000 Cl 0 0 -1.0028 -1.5132 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 2 1 1 0 3 5 1 0 4 21 1 0 5 2 1 0 6 14 1 0 7 6 1 0 8 6 2 0 9 13 1 0 10 9 1 0 11 8 1 0 12 7 1 0 13 23 1 0 14 4 1 0 15 2 1 0 16 1 1 0 17 20 1 0 18 1 2 0 19 1 2 0 20 13 2 0 21 15 1 0 22 3 2 0 23 16 1 0 24 27 2 0 25 10 1 0 26 12 1 0 27 11 1 0 28 26 2 0 3 4 1 0 10 17 2 0 11 12 2 0 24 28 1 0 M END > 108622 > J. Med. Chem. 46(5)-2003 681-684 > fXa > 6.8928 $$$$ SciTegic07090714202D 28 31 0 0 1 0 999 V2000 3.9511 -0.8815 0.0000 C 0 0 2.5987 -1.5004 0.0000 N 0 0 8.4073 -6.3490 0.0000 C 0 0 9.1381 -7.6444 0.0000 S 0 0 4.9531 -1.9978 0.0000 O 0 0 10.6047 -7.3297 0.0000 C 0 0 6.9148 -6.1919 0.0000 C 0 0 9.3872 -5.2301 0.0000 C 0 0 -2.5987 1.5004 0.0000 N 0 0 10.7587 -5.8376 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 4.2010 -3.2956 0.0000 C 0 0 2 0 0 0 2.7343 -2.9815 0.0000 C 0 0 6.3036 -4.8212 0.0000 N 0 0 4.1955 0.2934 0.0000 O 0 0 -1.2990 0.7500 0.0000 C 0 0 6.2096 -7.1629 0.0000 O 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -5.1993 2.9963 0.0000 O 0 0 4.8111 -4.6641 0.0000 C 0 0 11.4980 -8.1309 0.0000 Cl 0 0 -2.6012 3.0004 0.0000 C 0 0 -3.8967 0.7484 0.0000 C 0 0 -5.1969 1.4963 0.0000 C 0 0 -3.9015 3.7484 0.0000 C 0 0 2 1 1 0 3 7 1 0 4 3 1 0 5 1 1 0 6 4 1 0 7 14 1 0 8 3 2 0 9 16 1 0 10 8 1 0 11 2 1 0 12 5 1 0 13 2 1 0 14 23 1 0 15 1 2 0 16 20 2 0 17 7 2 0 18 11 1 0 19 11 2 0 20 19 1 0 21 18 2 0 22 27 1 0 12 23 1 1 24 6 1 0 25 9 1 0 26 9 1 0 27 26 1 0 28 25 1 0 13 12 1 0 16 21 1 0 6 10 2 0 22 28 1 0 M END > 161576 > J. Med. Chem. 48(19)-2005 5900-5908 > fXa > 7.3665 $$$$ SciTegic07090714202D 28 31 0 0 0 0 999 V2000 1.7138 -1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 6.2823 3.9676 0.0000 N 0 0 1.7138 1.2033 0.0000 N 0 0 7.0514 2.6798 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 4.8208 1.3475 0.0000 N 0 0 3.9208 10.4250 0.0000 C 0 0 6.3207 1.3698 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 4.0872 0.0382 0.0000 C 0 0 7.0107 5.2798 0.0000 C 0 0 4.6921 9.1376 0.0000 C 0 0 4.5032 11.4742 0.0000 N 0 0 4.7825 3.9454 0.0000 C 0 0 8.2513 2.6975 0.0000 O 0 0 -1.0028 -1.5132 0.0000 C 0 0 4.0518 2.6354 0.0000 C 0 0 6.1919 9.1649 0.0000 C 0 0 3.9659 7.8251 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 2.7209 10.4052 0.0000 N 0 0 6.2393 6.5672 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 6.9655 7.8798 0.0000 C 0 0 4.7395 6.5399 0.0000 C 0 0 -3.3560 1.3452 0.0000 Cl 0 0 2 1 2 0 3 16 1 0 4 2 1 0 5 10 1 0 6 7 2 0 7 1 1 0 8 12 1 0 9 14 1 0 10 8 1 0 11 6 1 0 12 2 1 0 13 3 1 0 14 21 2 0 15 9 2 0 16 19 1 0 17 5 2 0 18 7 1 0 19 8 1 0 20 26 2 0 21 27 1 0 22 25 1 0 23 9 1 0 24 13 1 0 25 18 2 0 26 24 1 0 27 24 2 0 28 22 1 0 6 4 1 0 22 11 2 0 5 3 1 0 20 14 1 0 M END > 1690 > Bioorg. Med. Chem. Lett. 12(6)-2002 919-922 > fXa > 7.3979 $$$$ SciTegic07090714202D 28 31 0 0 1 0 999 V2000 3.9511 -0.8815 0.0000 C 0 0 2.5987 -1.5004 0.0000 N 0 0 8.4073 -6.3490 0.0000 C 0 0 9.1381 -7.6444 0.0000 S 0 0 4.9531 -1.9978 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 10.6047 -7.3297 0.0000 C 0 0 6.9148 -6.1919 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -2.5987 1.5004 0.0000 N 0 0 9.3872 -5.2301 0.0000 C 0 0 10.7587 -5.8376 0.0000 C 0 0 4.2010 -3.2956 0.0000 C 0 0 2 0 0 0 2.7343 -2.9815 0.0000 C 0 0 6.3036 -4.8212 0.0000 N 0 0 -1.2990 -0.7500 0.0000 C 0 0 4.1955 0.2934 0.0000 O 0 0 0.0000 -1.5000 0.0000 C 0 0 6.2096 -7.1629 0.0000 O 0 0 4.8111 -4.6641 0.0000 C 0 0 11.4980 -8.1309 0.0000 Cl 0 0 0.0000 2.7000 0.0000 F 0 0 -2.7390 2.9810 0.0000 C 0 0 -3.9492 0.8772 0.0000 C 0 0 -4.2067 3.2905 0.0000 C 0 0 -4.9546 1.9903 0.0000 C 0 0 2 1 1 0 3 8 1 0 4 3 1 0 5 1 1 0 6 2 1 0 7 4 1 0 8 17 1 0 9 18 1 0 10 6 2 0 11 10 1 0 12 9 1 0 13 3 2 0 14 13 1 0 15 5 1 0 16 2 1 0 17 22 1 0 18 20 2 0 19 1 2 0 20 6 1 0 21 8 2 0 15 22 1 1 23 7 1 0 24 11 1 0 25 12 1 0 26 12 1 0 27 25 1 0 28 26 1 0 16 15 1 0 9 11 2 0 7 14 2 0 28 27 1 0 M END > 161577 > J. Med. Chem. 48(19)-2005 5900-5908 > fXa > 7.3979 $$$$ SciTegic07090714202D 28 30 0 0 0 0 999 V2000 1.3822 -3.8645 0.0000 C 0 0 1.8466 -5.2908 0.0000 N 0 0 2.5951 -3.0039 0.0000 C 0 0 3.3466 -5.2898 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 3.8092 -3.8630 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 -0.0031 3.0008 0.0000 C 0 0 0.9652 -6.5055 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 0.2429 -3.4876 0.0000 O 0 0 4.0525 -6.2602 0.0000 O 0 0 -1.0432 3.5993 0.0000 N 0 0 -1.3914 -10.3362 0.0000 C 0 0 -0.6039 -9.0586 0.0000 C 0 0 -0.5292 -6.4616 0.0000 C 0 0 1.6825 -7.8248 0.0000 C 0 0 -1.3162 -7.7385 0.0000 C 0 0 0.8955 -9.1017 0.0000 C 0 0 1.0351 3.6026 0.0000 N 0 0 3.6375 -0.9049 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -0.8222 -11.3926 0.0000 C 0 0 -2.5909 -10.3013 0.0000 C 0 0 -2.0215 -11.3574 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 2 1 0 5 3 2 0 6 3 1 0 7 5 1 0 8 11 1 0 9 2 1 0 10 7 2 0 11 10 1 0 12 1 2 0 13 4 2 0 14 8 2 0 15 16 1 0 16 20 2 0 17 9 1 0 18 9 2 0 19 17 2 0 20 18 1 0 21 8 1 0 22 5 1 0 23 7 1 0 24 25 1 0 25 23 2 0 26 15 1 0 27 15 1 0 28 15 1 0 6 4 1 0 16 19 1 0 24 11 2 0 M END > 100370 > Bioorg. Med. Chem. Lett. 13(2)-2003 297-300 > fXa > 7.5376 $$$$ SciTegic07090714202D 28 30 0 0 0 0 999 V2000 -7.8159 10.4878 0.0000 C 0 0 -7.8190 11.9886 0.0000 N 0 0 2.5973 -1.5031 0.0000 C 0 0 -2.6109 7.4996 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 -6.5151 9.7392 0.0000 C 0 0 -3.9118 8.2481 0.0000 C 0 0 2.5956 -2.7031 0.0000 N 0 0 -8.8541 9.8860 0.0000 O 0 0 1.2990 0.7500 0.0000 C 0 0 -1.5728 8.1014 0.0000 O 0 0 -6.5099 8.2392 0.0000 C 0 0 -5.2187 10.4937 0.0000 C 0 0 -5.2083 7.4937 0.0000 C 0 0 -3.9171 9.7482 0.0000 C 0 0 -2.6078 5.9988 0.0000 N 0 0 3.6375 -0.9049 0.0000 N 0 0 0.0000 1.5000 0.0000 C 0 0 -9.0325 12.8484 0.0000 C 0 0 -6.6054 12.8484 0.0000 C 0 0 -0.0031 3.0008 0.0000 O 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.3070 5.2502 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.3039 3.7494 0.0000 C 0 0 -7.0689 14.2750 0.0000 C 0 0 -8.5689 14.2750 0.0000 C 0 0 2 1 1 0 3 5 1 0 4 7 1 0 5 10 2 0 6 1 1 0 7 15 2 0 8 3 2 0 9 1 2 0 10 18 1 0 11 4 2 0 12 6 1 0 13 6 2 0 14 12 2 0 15 13 1 0 16 4 1 0 17 3 1 0 18 21 1 0 19 2 1 0 20 2 1 0 21 26 1 0 22 23 2 0 23 25 1 0 24 16 1 0 25 18 2 0 26 24 1 0 27 20 1 0 28 19 1 0 14 7 1 0 27 28 1 0 5 22 1 0 M END > 110462 > J. Med. Chem. 46(10)-2003 1845-1857 > fXa > 7.6990 $$$$ SciTegic07090714202D 29 31 0 0 1 0 999 V2000 -0.0093 6.0041 0.0000 S 0 0 -1.3039 3.7494 0.0000 C 0 0 2 0 0 0 -1.3070 5.2502 0.0000 N 0 0 -2.6008 2.9940 0.0000 C 0 0 -3.9039 3.7387 0.0000 N 0 0 2.5973 -1.5031 0.0000 C 0 0 1.2929 5.2580 0.0000 C 0 0 -1.0502 6.6012 0.0000 O 0 0 -0.0129 7.2041 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 -0.0031 3.0008 0.0000 C 0 0 2.5956 -2.7031 0.0000 N 0 0 -2.5959 1.7940 0.0000 O 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 2.5895 6.0124 0.0000 C 0 0 1.2979 3.7581 0.0000 C 0 0 3.6375 -0.9049 0.0000 N 0 0 2.5995 3.0124 0.0000 C 0 0 3.8910 5.2667 0.0000 C 0 0 3.8960 3.7667 0.0000 C 0 0 -5.2538 3.1144 0.0000 C 0 0 -4.0453 5.2192 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 4.9372 3.1702 0.0000 C 0 0 -5.5132 5.5276 0.0000 C 0 0 -6.2601 4.2268 0.0000 C 0 0 2 3 1 0 3 1 1 0 4 2 1 0 5 4 1 0 6 10 1 0 7 1 1 0 8 1 2 0 9 1 2 0 10 14 2 0 2 11 1 1 12 6 2 0 13 4 2 0 14 15 1 0 15 11 1 0 16 7 1 0 17 7 2 0 18 6 1 0 19 17 1 0 20 16 2 0 21 19 2 0 22 5 1 0 23 5 1 0 24 25 2 0 25 26 1 0 26 15 2 0 27 21 1 0 28 23 1 0 29 22 1 0 20 21 1 0 29 28 1 0 24 10 1 0 M END > 49855 > J. Med. Chem. 42(3)-1999 458-477 > fXa > 4.1190 $$$$ SciTegic07090714202D 29 31 0 0 1 0 999 V2000 -3.9106 1.4992 0.0000 S 0 0 -3.9114 3.0001 0.0000 N 0 0 -5.2110 3.7506 0.0000 C 0 0 2 0 0 0 -2.6111 0.7486 0.0000 C 0 0 -6.5122 3.0027 0.0000 C 0 0 -7.8208 9.7504 0.0000 C 0 0 -4.9500 2.0989 0.0000 O 0 0 -4.9497 0.8990 0.0000 O 0 0 -1.2964 1.4973 0.0000 C 0 0 -7.8148 8.2496 0.0000 C 0 0 -5.2118 5.2515 0.0000 C 0 0 -8.8620 10.3470 0.0000 N 0 0 0.0000 0.7486 0.0000 C 0 0 -6.5144 7.5021 0.0000 C 0 0 -6.5140 1.8027 0.0000 O 0 0 -6.5114 6.0021 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -7.8110 3.7547 0.0000 N 0 0 -6.7837 10.3542 0.0000 N 0 0 -9.1124 7.4971 0.0000 C 0 0 -9.1096 5.9971 0.0000 C 0 0 -7.8091 5.2496 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 -8.8514 3.1566 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2 1 1 0 3 2 1 0 4 1 1 0 5 3 1 0 6 10 1 0 7 1 2 0 8 1 2 0 9 4 2 0 10 14 2 0 3 11 1 6 12 6 2 0 13 9 1 0 14 16 1 0 15 5 2 0 16 11 1 0 17 4 1 0 18 19 1 0 19 17 2 0 20 5 1 0 21 6 1 0 22 23 2 0 23 24 1 0 24 16 2 0 25 13 2 0 26 20 1 0 27 18 2 0 28 25 1 0 29 27 1 0 18 13 1 0 28 29 2 0 22 10 1 0 M END > 49872 > J. Med. Chem. 42(3)-1999 458-477 > fXa > 4.5850 $$$$ SciTegic07090714202D 29 31 0 0 1 0 999 V2000 4.8208 1.3475 0.0000 N 0 0 4.0872 0.0382 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 7.3122 0.4032 0.0000 C 0 0 6.2995 1.5073 0.0000 C 0 0 2 0 0 0 16.2167 -1.6168 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 8.7775 0.7278 0.0000 N 0 0 1.7138 1.2033 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 17.0278 -2.5011 0.0000 N 0 0 4.7008 -0.9930 0.0000 O 0 0 6.9515 -0.7413 0.0000 O 0 0 14.7514 -1.9413 0.0000 N 0 0 16.5774 -0.4723 0.0000 N 0 0 10.1558 -2.6941 0.0000 O 0 0 4.1799 2.6896 0.0000 C 0 0 9.3438 -1.8106 0.0000 C 0 0 9.7919 -0.3783 0.0000 C 0 0 2 0 0 0 6.5896 2.9790 0.0000 C 0 0 5.2796 3.7097 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 13.7370 -0.8353 0.0000 C 0 0 11.2573 -0.0537 0.0000 C 0 0 12.2717 -1.1598 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 2 1 1 0 3 2 1 0 4 3 1 0 5 6 1 0 6 1 1 0 7 15 1 0 8 4 1 0 9 5 1 0 10 3 1 0 11 10 1 0 12 7 2 0 13 2 2 0 14 5 2 0 15 25 1 0 16 7 1 0 17 19 2 0 18 1 1 0 19 20 1 0 20 9 1 0 6 21 1 1 22 18 1 0 23 8 1 0 24 11 1 0 25 27 1 0 20 26 1 1 27 26 1 0 28 24 2 0 29 23 2 0 22 21 1 0 8 11 2 0 28 29 1 0 M END > 84112 > J. Med. Chem. 36(3)-1993 314-319 > fXa > 4.6990 $$$$ SciTegic07090714202D 29 32 0 0 0 0 999 V2000 1.7138 1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 4.0872 0.0320 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 6.0617 6.0897 0.0000 C 0 0 2.1812 2.6271 0.0000 C 0 0 4.8506 -1.2602 0.0000 N 0 0 5.5886 4.6654 0.0000 C 0 0 7.2369 6.3323 0.0000 N 0 0 4.1200 4.3600 0.0000 C 0 0 4.6772 1.0770 0.0000 O 0 0 3.6500 2.9355 0.0000 C 0 0 5.2643 6.9864 0.0000 N 0 0 6.3513 -1.2462 0.0000 C 0 0 7.1146 -2.5384 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 6.5873 3.5462 0.0000 C 0 0 6.1174 2.1217 0.0000 C 0 0 4.6488 1.8163 0.0000 C 0 0 8.6146 -2.5267 0.0000 C 0 0 6.3749 -3.8435 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 7.1352 -5.1365 0.0000 C 0 0 9.3749 -3.8197 0.0000 C 0 0 8.6352 -5.1247 0.0000 C 0 0 2 1 1 0 3 2 2 0 4 1 1 0 5 2 1 0 6 4 1 0 7 10 1 0 8 1 1 0 9 5 1 0 10 12 2 0 11 7 2 0 12 14 1 0 13 5 2 0 14 8 1 0 15 7 1 0 16 9 1 0 17 16 1 0 18 4 2 0 19 6 2 0 20 21 2 0 21 22 1 0 22 14 2 0 23 17 2 0 24 17 1 0 25 18 1 0 26 25 2 0 27 24 2 0 28 23 1 0 29 27 1 0 6 3 1 0 26 19 1 0 20 10 1 0 29 28 2 0 M END > 95161 > J. Med. Chem. 45(13)-2002 2749-2769 > fXa > 5.1618 $$$$ SciTegic07090714202D 29 31 0 0 0 0 999 V2000 2.5988 -1.5004 0.0000 S 0 0 9.0946 3.7540 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 7.7945 3.0042 0.0000 C 0 0 11.4489 4.2515 0.0000 N 0 0 10.4470 3.1351 0.0000 O 0 0 1.2990 0.7500 0.0000 C 0 0 6.4946 3.7544 0.0000 N 0 0 9.2301 5.2351 0.0000 C 0 0 3.6384 -0.9011 0.0000 O 0 0 2.5984 -2.7004 0.0000 O 0 0 10.6968 5.5493 0.0000 C 0 0 2.5987 1.5004 0.0000 C 0 0 3.6377 -2.1009 0.0000 N 0 0 7.7943 1.8042 0.0000 O 0 0 5.1945 3.0046 0.0000 C 0 0 3.8991 0.7525 0.0000 C 0 0 2.5964 3.0004 0.0000 C 0 0 5.1969 1.5046 0.0000 C 0 0 3.8943 3.7525 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 11.3069 6.9177 0.0000 C 0 0 12.7995 7.0748 0.0000 C 0 0 14.9032 8.6027 0.0000 C 0 0 13.4106 8.4456 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 15.3918 9.6987 0.0000 C 0 0 2 4 1 0 3 1 1 0 4 8 1 0 5 6 1 0 6 2 1 0 7 3 1 0 8 16 1 0 9 2 1 0 10 1 2 0 11 1 2 0 12 9 1 0 13 7 1 0 14 1 1 0 15 4 2 0 16 20 2 0 17 13 1 0 18 13 2 0 19 17 2 0 20 18 1 0 21 3 2 0 22 7 2 0 23 12 1 0 24 23 1 0 25 26 1 0 26 24 1 0 27 21 1 0 28 27 2 0 29 25 1 0 28 22 1 0 16 19 1 0 5 12 2 0 M END > 104089 > Bioorg. Med. Chem. Lett. 13(10)-2003 1795-1799 > fXa > 5.3468 $$$$ SciTegic07090714202D 29 31 0 0 0 0 999 V2000 1.9598 0.0000 0.0000 C 0 0 0.0000 1.9598 0.0000 C 0 0 1.3858 1.3858 0.0000 C 0 0 -0.0031 3.4641 0.0000 C 0 0 3.4641 -0.0030 0.0000 C 0 0 6.4525 -5.2079 0.0000 C 0 0 -5.2080 6.4524 0.0000 C 0 0 -3.9072 5.7038 0.0000 C 0 0 5.7038 -3.9071 0.0000 C 0 0 7.6525 -5.2103 0.0000 N 0 0 -5.2104 7.6524 0.0000 N 0 0 2.2343 2.2344 0.0000 O 0 0 -1.3039 4.2127 0.0000 C 0 0 4.2127 -1.3038 0.0000 C 0 0 4.2038 -3.9020 0.0000 C 0 0 -2.6107 6.4583 0.0000 C 0 0 6.4583 -2.6107 0.0000 C 0 0 -3.9020 4.2038 0.0000 C 0 0 -6.2462 5.8507 0.0000 N 0 0 5.8507 -6.2461 0.0000 N 0 0 -1.3091 5.7127 0.0000 C 0 0 5.7127 -1.3091 0.0000 C 0 0 3.4583 -2.6004 0.0000 C 0 0 -2.6004 3.4583 0.0000 C 0 0 1.3858 -1.3858 0.0000 C 0 0 -1.3858 1.3858 0.0000 C 0 0 -1.9598 0.0000 0.0000 C 0 0 0.0000 -1.9598 0.0000 C 0 0 -1.3858 -1.3858 0.0000 C 0 0 2 3 1 0 3 1 1 0 4 2 2 0 5 1 2 0 6 9 1 0 7 8 1 0 8 18 2 0 9 15 1 0 10 6 2 0 11 7 2 0 12 3 2 0 13 4 1 0 14 5 1 0 15 23 2 0 16 21 2 0 17 22 1 0 18 24 1 0 19 7 1 0 20 6 1 0 21 13 1 0 22 14 2 0 23 14 1 0 24 13 2 0 25 1 1 0 26 2 1 0 27 29 1 0 28 25 1 0 29 28 1 0 27 26 1 0 17 9 2 0 16 8 1 0 M END > 55628 > J. Med. Chem. 42(26)-1999 5415-5425 > fXa > 5.7447 $$$$ SciTegic07090714202D 29 32 0 0 0 0 999 V2000 2.5988 -1.5004 0.0000 S 0 0 11.4489 4.2515 0.0000 N 0 0 10.6968 5.5493 0.0000 C 0 0 9.0946 3.7540 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 7.7945 3.0042 0.0000 C 0 0 10.4470 3.1351 0.0000 O 0 0 9.2301 5.2351 0.0000 C 0 0 11.3051 6.9213 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 6.4946 3.7544 0.0000 N 0 0 10.6479 8.2501 0.0000 S 0 0 3.6384 -0.9011 0.0000 O 0 0 2.5984 -2.7004 0.0000 O 0 0 2.5987 1.5004 0.0000 C 0 0 3.6377 -2.1009 0.0000 N 0 0 12.7830 7.0960 0.0000 C 0 0 7.7943 1.8042 0.0000 O 0 0 11.7341 9.2847 0.0000 C 0 0 13.0536 8.5713 0.0000 C 0 0 5.1945 3.0046 0.0000 C 0 0 3.8991 0.7525 0.0000 C 0 0 2.5964 3.0004 0.0000 C 0 0 5.1969 1.5046 0.0000 C 0 0 3.8943 3.7525 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 2 7 1 0 3 8 1 0 4 6 1 0 5 1 1 0 6 11 1 0 7 4 1 0 8 4 1 0 9 3 1 0 10 5 1 0 11 21 1 0 12 9 1 0 13 1 2 0 14 1 2 0 15 10 1 0 16 1 1 0 17 9 2 0 18 6 2 0 19 12 1 0 20 17 1 0 21 25 2 0 22 15 1 0 23 15 2 0 24 22 2 0 25 23 1 0 26 5 2 0 27 10 2 0 28 26 1 0 29 28 2 0 29 27 1 0 21 24 1 0 2 3 2 0 20 19 2 0 M END > 104113 > Bioorg. Med. Chem. Lett. 13(10)-2003 1795-1799 > fXa > 5.8861 $$$$ SciTegic07090714202D 29 33 0 0 0 0 999 V2000 10.2794 3.8978 0.0000 N 0 0 9.0741 3.0233 0.0000 C 0 0 5.1929 -0.7441 0.0000 N 0 0 6.4946 -1.4896 0.0000 C 0 0 7.8731 3.8578 0.0000 N 0 0 0.0000 0.7486 0.0000 C 0 0 7.7858 0.7649 0.0000 N 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -2.6111 0.7486 0.0000 N 0 0 9.8000 5.3121 0.0000 C 0 0 8.3052 5.2873 0.0000 C 0 0 7.7910 -0.7351 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 3.8942 -1.4964 0.0000 C 0 0 9.0814 1.5225 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 5.1877 0.7559 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 6.4987 -2.6896 0.0000 O 0 0 2.5929 -0.7486 0.0000 C 0 0 6.4842 1.5104 0.0000 C 0 0 -1.2928 2.6973 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 10.5441 6.6192 0.0000 C 0 0 7.5180 6.5688 0.0000 C 0 0 8.2619 7.8941 0.0000 C 0 0 9.7567 7.9189 0.0000 C 0 0 2 1 2 0 3 19 1 0 4 13 1 0 5 2 1 0 6 15 2 0 7 17 1 0 8 6 1 0 9 20 2 0 10 8 2 0 11 1 1 0 12 11 2 0 13 7 1 0 14 9 1 0 15 25 1 0 16 3 1 0 17 2 1 0 18 14 2 0 19 23 1 0 20 22 1 0 21 4 2 0 22 16 1 0 23 7 1 0 24 8 1 0 25 22 2 0 26 11 1 0 27 12 1 0 28 29 1 0 29 26 2 0 12 5 1 0 28 27 2 0 4 3 1 0 9 6 1 0 10 18 1 0 M END > 1694 > Bioorg. Med. Chem. Lett. 12(6)-2002 919-922 > fXa > 5.9208 $$$$ SciTegic07090714202D 29 31 0 0 0 0 999 V2000 -2.6020 2.9972 0.0000 C 0 0 -3.9030 3.7455 0.0000 N 0 0 2.5973 -1.5031 0.0000 C 0 0 7.7894 6.0158 0.0000 C 0 0 -1.3030 3.7490 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -0.0020 3.0008 0.0000 C 0 0 6.4904 5.2641 0.0000 C 0 0 2.5956 -2.7031 0.0000 N 0 0 8.8297 5.4175 0.0000 N 0 0 -2.6004 1.7972 0.0000 O 0 0 1.2969 3.7525 0.0000 C 0 0 5.1891 6.0101 0.0000 C 0 0 6.4950 3.7641 0.0000 C 0 0 3.6375 -0.9049 0.0000 N 0 0 7.7878 7.2158 0.0000 N 0 0 3.8969 3.7560 0.0000 C 0 0 2.5979 3.0043 0.0000 C 0 0 5.1983 3.0101 0.0000 C 0 0 3.8924 5.2561 0.0000 C 0 0 -5.2546 3.1250 0.0000 C 0 0 -4.0403 5.2264 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -5.5074 5.5388 0.0000 C 0 0 -6.2579 4.2401 0.0000 C 0 0 2 1 1 0 3 6 1 0 4 10 1 0 5 1 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 5 1 0 10 15 1 0 11 3 2 0 12 4 2 0 13 1 2 0 14 9 1 0 15 22 2 0 16 21 1 0 17 3 1 0 18 4 1 0 19 20 1 0 20 14 1 0 21 19 2 0 22 19 1 0 23 2 1 0 24 2 1 0 25 27 2 0 26 8 2 0 27 26 1 0 28 24 1 0 29 23 1 0 29 28 1 0 6 25 1 0 16 10 2 0 M END > 41093 > J. Med. Chem. 41(1)-1998 53-62 > fXa > 5.9393 $$$$ SciTegic07090714202D 29 33 0 0 0 0 999 V2000 4.0872 0.0351 0.0000 S 0 0 2.5889 0.0182 0.0000 C 0 0 4.8236 1.3429 0.0000 N 0 0 1.7138 1.2033 0.0000 S 0 0 7.0595 2.6660 0.0000 C 0 0 6.3235 1.3590 0.0000 C 0 0 6.2956 3.9569 0.0000 N 0 0 6.2631 6.5567 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 6.8597 7.9211 0.0000 N 0 0 4.8049 6.6683 0.0000 C 0 0 4.4538 8.1198 0.0000 C 0 0 5.7303 8.8980 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 4.0597 2.6338 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 7.0293 5.2662 0.0000 C 0 0 4.6987 -0.9974 0.0000 O 0 0 3.4989 -1.0108 0.0000 O 0 0 4.7957 3.9408 0.0000 C 0 0 8.2594 2.6789 0.0000 O 0 0 3.0966 10.3458 0.0000 N 0 0 5.7102 10.4019 0.0000 C 0 0 3.1261 8.8264 0.0000 C 0 0 4.3730 11.1241 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 2 1 0 5 6 1 0 6 3 1 0 7 20 1 0 8 17 1 0 9 2 2 0 10 8 1 0 11 8 2 0 12 11 1 0 13 10 1 0 14 4 1 0 15 3 1 0 16 9 1 0 17 7 1 0 18 1 2 0 19 1 2 0 20 15 1 0 21 5 2 0 22 24 2 0 23 13 1 0 24 12 1 0 25 23 2 0 26 14 1 0 27 16 1 0 28 26 2 0 29 27 2 0 16 14 2 0 5 7 1 0 29 28 1 0 12 13 2 0 22 25 1 0 M END > 108613 > J. Med. Chem. 46(5)-2003 681-684 > fXa > 6.0182 $$$$ SciTegic07090714202D 29 31 0 0 1 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 11.6946 -3.7535 0.0000 C 0 0 7.7945 -3.0041 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 10.3945 -3.0037 0.0000 N 0 0 6.4946 -3.7543 0.0000 N 0 0 2.5987 -1.5004 0.0000 C 0 0 12.9945 -3.0033 0.0000 N 0 0 9.0946 -3.7539 0.0000 C 0 0 2 0 0 0 11.6948 -4.9535 0.0000 O 0 0 7.7943 -1.8041 0.0000 O 0 0 2.3383 1.3500 0.0000 O 0 0 -1.2990 0.7500 0.0000 O 0 0 3.8991 -0.7525 0.0000 C 0 0 2.5965 -3.0004 0.0000 C 0 0 5.1945 -3.0045 0.0000 C 0 0 14.2946 -3.7531 0.0000 C 0 0 16.8904 -5.2573 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 5.1969 -1.5045 0.0000 C 0 0 3.8943 -3.7525 0.0000 C 0 0 17.9287 -5.8589 0.0000 Cl 0 0 15.5949 -3.0052 0.0000 C 0 0 14.2923 -5.2532 0.0000 C 0 0 16.8927 -3.7573 0.0000 C 0 0 15.5902 -6.0052 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 9.0948 -4.9539 0.0000 C 0 0 2 5 1 0 3 6 1 0 4 1 1 0 5 9 1 0 6 16 1 0 7 1 1 0 8 2 1 0 9 3 1 0 10 2 2 0 11 3 2 0 12 4 2 0 13 28 1 0 14 7 2 0 15 7 1 0 16 22 1 0 17 8 1 0 18 27 1 0 19 4 1 0 20 1 1 0 21 14 1 0 22 15 2 0 23 18 1 0 24 17 2 0 25 17 1 0 26 24 1 0 27 25 2 0 28 20 1 0 9 29 1 6 13 19 1 0 21 16 2 0 18 26 2 0 M END > 121115 > Bioorg. Med. Chem. Lett. 13(21)-2003 3715-3718 > fXa > 7.1079 $$$$ SciTegic07090714202D 29 32 0 0 0 0 999 V2000 7.0134 5.2783 0.0000 S 0 0 6.2823 3.9676 0.0000 N 0 0 6.3207 1.3698 0.0000 C 0 0 4.8208 1.3475 0.0000 N 0 0 7.0514 2.6798 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 8.5140 5.3015 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 4.0872 0.0382 0.0000 C 0 0 4.7825 3.9454 0.0000 C 0 0 6.3978 6.3084 0.0000 O 0 0 7.5975 6.3266 0.0000 O 0 0 9.2452 6.6122 0.0000 C 0 0 4.0518 2.6354 0.0000 C 0 0 6.9360 0.3396 0.0000 O 0 0 -2.3155 0.7475 0.0000 N 0 0 10.7458 6.6353 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 13.7456 6.6755 0.0000 C 0 0 14.9455 6.6915 0.0000 Cl 0 0 11.4784 7.9443 0.0000 C 0 0 11.5132 5.3464 0.0000 C 0 0 13.0131 5.3665 0.0000 C 0 0 12.9783 7.9643 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 2 1 1 0 3 5 1 0 4 17 1 0 5 2 1 0 6 12 1 0 7 6 1 0 8 1 1 0 9 6 2 0 10 9 1 0 11 7 1 0 12 4 1 0 13 2 1 0 14 1 2 0 15 1 2 0 16 8 2 0 17 13 1 0 18 3 2 0 19 22 2 0 20 16 1 0 21 11 1 0 22 10 1 0 23 27 2 0 24 23 1 0 25 20 1 0 26 20 2 0 27 26 1 0 28 25 2 0 29 21 2 0 3 4 1 0 23 28 1 0 10 11 2 0 19 29 1 0 M END > 108619 > J. Med. Chem. 46(5)-2003 681-684 > fXa > 7.3188 $$$$ SciTegic07090714202D 29 33 0 0 1 0 999 V2000 4.0872 0.0351 0.0000 S 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 8.6176 0.6313 0.0000 N 0 0 7.1954 0.1545 0.0000 C 0 0 6.3243 1.3600 0.0000 C 0 0 1 0 0 0 1.7138 -1.2033 0.0000 S 0 0 4.8236 1.3429 0.0000 N 0 0 11.2041 0.3897 0.0000 C 0 0 12.4697 -0.3431 0.0000 N 0 0 0.2917 0.7475 0.0000 C 0 0 11.4840 1.8524 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 9.8397 -0.2354 0.0000 C 0 0 13.5803 0.6552 0.0000 C 0 0 12.9680 2.0191 0.0000 C 0 0 7.1728 2.5814 0.0000 C 0 0 4.6987 -0.9974 0.0000 O 0 0 5.2871 0.0482 0.0000 O 0 0 8.6036 2.1313 0.0000 C 0 0 -1.0028 1.5132 0.0000 N 0 0 6.8285 -0.9880 0.0000 O 0 0 15.9588 1.7231 0.0000 N 0 0 15.0749 0.4869 0.0000 C 0 0 13.8352 3.2478 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 15.3464 3.0870 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 2 1 1 0 3 2 2 0 4 5 1 0 5 6 1 0 6 8 1 1 7 2 1 0 8 1 1 0 9 14 1 0 10 9 1 0 11 3 1 0 12 9 2 0 13 7 1 0 14 4 1 0 15 10 1 0 16 12 1 0 17 6 1 0 18 1 2 0 19 1 2 0 20 17 1 0 21 11 1 0 22 5 2 0 23 24 2 0 24 15 1 0 25 16 1 0 26 13 1 0 27 21 2 0 28 25 2 0 29 26 2 0 13 11 2 0 20 4 1 0 27 29 1 0 15 16 2 0 23 28 1 0 M END > 60148 > J. Med. Chem. 43(17)-2000 3226-3232 > fXa > 7.7447 $$$$ SciTegic07090714202D 29 32 0 0 1 0 999 V2000 -3.9106 1.4992 0.0000 S 0 0 -8.3007 2.5392 0.0000 N 0 0 -6.5106 1.5004 0.0000 C 0 0 1 0 0 0 -7.9156 1.0895 0.0000 C 0 0 -5.2109 0.7498 0.0000 N 0 0 -6.8509 2.9242 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -12.1664 7.8109 0.0000 C 0 0 -9.5919 3.2921 0.0000 C 0 0 -3.9101 2.6992 0.0000 O 0 0 -4.9495 2.0999 0.0000 O 0 0 -1.2964 1.4973 0.0000 C 0 0 -10.8725 7.0504 0.0000 C 0 0 -12.1579 9.0109 0.0000 N 0 0 -8.5049 0.0441 0.0000 O 0 0 0.0000 0.7486 0.0000 C 0 0 -10.8811 5.5504 0.0000 C 0 0 -9.5864 4.7930 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -13.2101 7.2187 0.0000 N 0 0 -9.5692 7.7930 0.0000 C 0 0 -8.2745 7.0356 0.0000 C 0 0 -8.2831 5.5356 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2 6 1 0 3 5 1 6 4 3 1 0 5 1 1 0 6 3 1 0 7 1 1 0 8 13 1 0 9 2 1 0 10 1 2 0 11 1 2 0 12 7 2 0 13 17 1 0 14 8 2 0 15 4 2 0 16 12 1 0 17 18 2 0 18 9 1 0 19 7 1 0 20 21 1 0 21 19 2 0 22 8 1 0 23 24 1 0 24 25 2 0 25 18 1 0 26 16 2 0 27 20 2 0 28 26 1 0 29 27 1 0 4 2 1 0 20 16 1 0 28 29 2 0 13 23 2 0 M END > 53308 > J. Med. Chem. 42(18)-1999 3557-3571 > fXa > 8.0044 $$$$ SciTegic07090714202D 29 31 0 0 0 0 999 V2000 -6.5184 14.2400 0.0000 N 0 0 -7.8192 14.9885 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 -7.8217 16.1885 0.0000 N 0 0 2.5956 -2.7031 0.0000 N 0 0 -6.5131 12.7400 0.0000 C 0 0 -5.2220 14.9945 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -0.0031 3.0008 0.0000 C 0 0 -5.2115 11.9945 0.0000 C 0 0 -3.9203 14.2490 0.0000 C 0 0 -2.6142 12.0005 0.0000 O 0 0 -1.3039 3.7494 0.0000 C 0 0 3.6375 -0.9049 0.0000 N 0 0 -3.9150 12.7490 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -2.6110 10.4997 0.0000 C 0 0 -2.6109 7.4996 0.0000 C 0 0 -2.6078 5.9988 0.0000 N 0 0 -1.3119 9.7497 0.0000 C 0 0 -3.9100 9.7496 0.0000 C 0 0 -3.9100 8.2496 0.0000 C 0 0 -1.3119 8.2497 0.0000 C 0 0 -8.8574 14.3867 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.3070 5.2502 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 2 1 1 0 3 4 1 0 4 9 2 0 5 2 2 0 6 3 2 0 7 1 1 0 8 1 1 0 9 17 1 0 10 14 2 0 11 7 1 0 12 8 1 0 13 16 1 0 14 27 1 0 15 3 1 0 16 12 1 0 17 10 1 0 18 13 1 0 19 23 1 0 20 19 1 0 21 18 2 0 22 18 1 0 23 22 2 0 24 21 1 0 25 2 1 0 26 28 2 0 27 20 1 0 28 29 1 0 29 17 2 0 16 11 1 0 19 24 2 0 26 4 1 0 M END > 2586 > Bioorg. Med. Chem. Lett. 12(9)-2002 1307-1310 > fXa > 8.1249 $$$$ SciTegic07090714202D 30 31 0 0 1 0 999 V2000 3.8912 -5.2578 0.0000 N 0 0 3.8933 -3.7570 0.0000 C 0 0 6.5256 -5.6559 0.0000 C 0 0 5.1017 -6.1219 0.0000 C 0 0 2 0 0 0 15.2772 -8.2598 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 1 0 0 0 7.6437 -6.6570 0.0000 N 0 0 16.4177 -7.8865 0.0000 N 0 0 4.9336 -3.1588 0.0000 O 0 0 6.7722 -4.4815 0.0000 O 0 0 2.5973 -1.5031 0.0000 C 0 0 14.1591 -7.2587 0.0000 N 0 0 15.0306 -9.4342 0.0000 N 0 0 10.5224 -4.3499 0.0000 O 0 0 1.2956 -3.7547 0.0000 N 0 0 2.6747 -6.1134 0.0000 C 0 0 9.3815 -4.7220 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 9.0701 -6.1901 0.0000 C 0 0 2 0 0 0 4.6332 -7.5468 0.0000 C 0 0 3.1332 -7.5416 0.0000 C 0 0 12.7327 -7.7255 0.0000 C 0 0 1.2952 -4.9547 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 10.1882 -7.1913 0.0000 C 0 0 11.6146 -6.7244 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 2 1 1 0 3 4 1 0 4 1 1 0 5 12 1 0 6 2 1 0 7 3 1 0 8 5 2 0 9 2 2 0 10 3 2 0 6 11 1 6 12 22 1 0 13 5 1 0 14 17 2 0 15 6 1 0 16 1 1 0 17 19 1 0 18 11 1 0 19 7 1 0 4 20 1 6 21 16 1 0 22 27 1 0 23 15 1 0 24 18 1 0 25 18 2 0 19 26 1 6 27 26 1 0 28 25 1 0 29 24 2 0 30 28 2 0 21 20 1 0 29 30 1 0 M END > 117 > Bioorg. Med. Chem. Lett. 12(1)-2002 41-44 > fXa > 3.5229 $$$$ SciTegic07090714202D 30 32 0 0 1 0 999 V2000 -0.0093 6.0041 0.0000 S 0 0 -1.3039 3.7494 0.0000 C 0 0 2 0 0 0 -1.3070 5.2502 0.0000 N 0 0 -2.6008 2.9940 0.0000 C 0 0 -3.9039 3.7387 0.0000 N 0 0 2.5973 -1.5031 0.0000 C 0 0 1.2929 5.2580 0.0000 C 0 0 -1.0502 6.6012 0.0000 O 0 0 -0.0129 7.2041 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 -0.0031 3.0008 0.0000 C 0 0 2.5956 -2.7031 0.0000 N 0 0 -2.5959 1.7940 0.0000 O 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 2.5895 6.0124 0.0000 C 0 0 1.2979 3.7581 0.0000 C 0 0 -6.5056 5.2325 0.0000 O 0 0 3.6375 -0.9049 0.0000 N 0 0 2.5995 3.0124 0.0000 C 0 0 3.8910 5.2667 0.0000 C 0 0 3.8960 3.7667 0.0000 C 0 0 -5.2012 2.9856 0.0000 C 0 0 -3.9076 5.2387 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -5.2084 5.9856 0.0000 C 0 0 -6.5020 3.7325 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 4.9372 3.1702 0.0000 C 0 0 2 3 1 0 3 1 1 0 4 2 1 0 5 4 1 0 6 10 1 0 7 1 1 0 8 1 2 0 9 1 2 0 10 14 2 0 2 11 1 1 12 6 2 0 13 4 2 0 14 15 1 0 15 11 1 0 16 7 2 0 17 7 1 0 18 27 1 0 19 6 1 0 20 17 2 0 21 16 1 0 22 20 1 0 23 5 1 0 24 5 1 0 25 26 2 0 26 29 1 0 27 24 1 0 28 23 1 0 29 15 2 0 30 22 1 0 22 21 2 0 28 18 1 0 25 10 1 0 M END > 49889 > J. Med. Chem. 42(3)-1999 458-477 > fXa > 4.2840 $$$$ SciTegic07090714202D 30 33 0 0 0 0 999 V2000 -1.2964 1.4973 0.0000 N 0 0 3.8916 -1.5016 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 4.5283 -0.2703 0.0000 C 0 0 5.2762 -1.5705 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 3.8894 -3.0025 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 -3.8935 -7.5036 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 -3.9091 -1.5019 0.0000 C 0 0 -3.6486 1.3517 0.0000 O 0 0 -3.8958 -6.0028 0.0000 C 0 0 -4.9314 -8.1059 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 2.8490 -3.6006 0.0000 O 0 0 -2.5995 -5.2481 0.0000 C 0 0 -5.1976 -5.2575 0.0000 C 0 0 -2.8531 -8.1017 0.0000 N 0 0 -3.9067 -3.0027 0.0000 C 0 0 -1.2928 2.6973 0.0000 C 0 0 5.1875 -3.7557 0.0000 O 0 0 -5.2030 -3.7575 0.0000 C 0 0 -2.6050 -3.7481 0.0000 C 0 0 5.1853 -5.2565 0.0000 C 0 0 6.2232 -5.8587 0.0000 C 0 0 2 10 1 0 3 1 1 0 4 6 1 0 5 3 1 0 6 7 1 0 7 1 1 0 8 2 1 0 9 2 1 0 10 19 2 0 11 2 1 0 12 6 2 0 13 17 1 0 14 7 2 0 15 5 1 0 16 3 2 0 17 21 1 0 18 13 2 0 19 14 1 0 20 11 2 0 21 28 2 0 22 27 1 0 23 13 1 0 24 15 1 0 25 1 1 0 26 11 1 0 27 24 2 0 28 24 1 0 29 26 1 0 30 29 1 0 4 5 2 0 10 12 1 0 9 8 1 0 17 22 2 0 M END > 117891 > Bioorg. Med. Chem. Lett. 13(14)-2003 2297-2302 > fXa > 4.3372 $$$$ SciTegic07090714202D 30 32 0 0 1 0 999 V2000 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 -6.8725 2.8272 0.0000 C 0 0 -6.5644 1.3610 0.0000 C 0 0 2 0 0 0 -2.6111 0.7486 0.0000 C 0 0 -13.5023 9.1055 0.0000 C 0 0 -8.2985 3.2952 0.0000 N 0 0 0.0000 0.7486 0.0000 C 0 0 -13.7491 10.2799 0.0000 N 0 0 -3.9141 2.6966 0.0000 O 0 0 -5.9786 3.6278 0.0000 O 0 0 0.0000 -0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -12.0763 8.6375 0.0000 N 0 0 -14.3962 8.3049 0.0000 N 0 0 -7.7392 6.9416 0.0000 O 0 0 -5.3439 -0.7368 0.0000 C 0 0 -7.4912 5.7675 0.0000 C 0 0 -8.6071 4.7639 0.0000 C 0 0 2 0 0 0 -7.5644 0.2430 0.0000 C 0 0 -6.8101 -1.0536 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 -11.7677 7.1687 0.0000 C 0 0 -10.0331 5.2320 0.0000 C 0 0 -10.3417 6.7007 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2 1 1 0 3 6 1 0 4 5 1 0 5 1 1 0 6 2 1 0 7 16 1 0 8 4 1 0 9 3 1 0 10 7 2 0 11 2 2 0 12 4 2 0 13 15 1 0 14 6 1 0 15 14 1 0 16 26 1 0 17 7 1 0 18 20 2 0 19 1 1 0 20 21 1 0 21 8 1 0 5 22 1 1 23 19 1 0 24 9 1 0 25 13 1 0 26 28 1 0 21 27 1 1 28 27 1 0 29 24 2 0 30 25 2 0 23 22 1 0 9 13 2 0 30 29 1 0 M END > 84111 > J. Med. Chem. 36(3)-1993 314-319 > fXa > 4.9208 $$$$ SciTegic07090714202D 30 32 0 0 0 0 999 V2000 1.7138 1.2033 0.0000 N 0 0 1.7138 -1.2033 0.0000 N 0 0 0.2917 0.7475 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 3.6500 2.9355 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 2.1812 2.6271 0.0000 C 0 0 4.6534 1.8194 0.0000 C 0 0 -3.6217 1.4865 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 7.4537 10.3739 0.0000 C 0 0 6.9854 8.9480 0.0000 C 0 0 -4.6560 0.8780 0.0000 N 0 0 8.6281 10.6205 0.0000 N 0 0 4.1182 4.3614 0.0000 C 0 0 4.2814 0.6786 0.0000 O 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 7.9879 7.8322 0.0000 C 0 0 5.5178 8.6377 0.0000 C 0 0 -3.6319 2.6865 0.0000 N 0 0 6.6532 11.2680 0.0000 N 0 0 6.1219 2.1295 0.0000 O 0 0 6.0553 6.0958 0.0000 C 0 0 5.5870 4.6698 0.0000 C 0 0 7.5228 6.4061 0.0000 C 0 0 5.0528 7.2117 0.0000 C 0 0 7.1253 1.0134 0.0000 C 0 0 8.2994 1.2613 0.0000 C 0 0 2 4 2 0 3 1 1 0 4 1 1 0 5 7 1 0 6 3 1 0 7 1 1 0 8 5 1 0 9 10 1 0 10 6 2 0 11 3 2 0 12 13 1 0 13 21 1 0 14 9 2 0 15 12 2 0 16 5 1 0 17 8 2 0 18 19 2 0 19 11 1 0 20 27 1 0 21 28 2 0 22 9 1 0 23 12 1 0 24 8 1 0 25 26 1 0 26 16 1 0 27 25 2 0 28 25 1 0 29 24 1 0 30 29 1 0 11 2 1 0 10 18 1 0 13 20 2 0 M END > 74878 > J. Med. Chem. 43(23)-2000 4398-4415 > fXa > 4.9245 $$$$ SciTegic07090714202D 30 33 0 0 0 0 999 V2000 2.5988 -1.5004 0.0000 S 0 0 11.4489 4.2515 0.0000 N 0 0 9.0946 3.7540 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 7.7945 3.0042 0.0000 C 0 0 10.4470 3.1351 0.0000 O 0 0 10.6968 5.5493 0.0000 C 0 0 9.2301 5.2351 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 6.4946 3.7544 0.0000 N 0 0 3.6384 -0.9011 0.0000 O 0 0 2.5984 -2.7004 0.0000 O 0 0 2.5987 1.5004 0.0000 C 0 0 3.6377 -2.1009 0.0000 N 0 0 7.7943 1.8042 0.0000 O 0 0 11.3051 6.9213 0.0000 C 0 0 5.1945 3.0046 0.0000 C 0 0 3.8991 0.7525 0.0000 C 0 0 2.5964 3.0004 0.0000 C 0 0 5.1969 1.5046 0.0000 C 0 0 3.8943 3.7525 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 10.5170 8.1918 0.0000 C 0 0 12.8062 6.9631 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 13.5156 8.2847 0.0000 C 0 0 11.2264 9.5134 0.0000 C 0 0 12.7257 9.5599 0.0000 C 0 0 2 6 1 0 3 5 1 0 4 1 1 0 5 10 1 0 6 3 1 0 7 8 1 0 8 3 1 0 9 4 1 0 10 17 1 0 11 1 2 0 12 1 2 0 13 9 1 0 14 1 1 0 15 5 2 0 16 7 1 0 17 21 2 0 18 13 1 0 19 13 2 0 20 18 2 0 21 19 1 0 22 4 2 0 23 9 2 0 24 16 2 0 25 16 1 0 26 27 2 0 27 22 1 0 28 25 2 0 29 24 1 0 30 28 1 0 26 23 1 0 17 20 1 0 2 7 2 0 30 29 2 0 M END > 104095 > Bioorg. Med. Chem. Lett. 13(10)-2003 1795-1799 > fXa > 4.9586 $$$$ SciTegic07090714202D 30 32 0 0 0 0 999 V2000 -1.2964 1.4973 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 3.8926 -1.4991 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 5.1929 -0.7495 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 -3.8935 -7.5036 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 -3.9091 -1.5019 0.0000 C 0 0 -3.6486 1.3517 0.0000 O 0 0 -3.8958 -6.0028 0.0000 C 0 0 -4.9314 -8.1059 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 5.1932 0.4505 0.0000 O 0 0 -2.5995 -5.2481 0.0000 C 0 0 -5.1976 -5.2575 0.0000 C 0 0 -2.8531 -8.1017 0.0000 N 0 0 -3.9067 -3.0027 0.0000 C 0 0 -1.2928 2.6973 0.0000 C 0 0 6.4926 -1.4999 0.0000 O 0 0 -5.2030 -3.7575 0.0000 C 0 0 -2.6050 -3.7481 0.0000 C 0 0 4.9316 -2.0996 0.0000 C 0 0 3.8923 -2.6991 0.0000 C 0 0 7.7928 -0.7503 0.0000 C 0 0 8.8321 -1.3503 0.0000 C 0 0 2 1 1 0 3 5 1 0 4 2 1 0 5 6 1 0 6 1 1 0 7 8 1 0 8 17 2 0 9 7 1 0 10 5 2 0 11 15 1 0 12 6 2 0 13 4 1 0 14 2 2 0 15 19 2 0 16 11 2 0 17 12 1 0 18 9 2 0 19 26 1 0 20 25 2 0 21 11 1 0 22 13 1 0 23 1 1 0 24 9 1 0 25 22 1 0 26 22 2 0 27 7 1 0 28 7 1 0 29 24 1 0 30 29 1 0 3 4 2 0 8 10 1 0 20 15 1 0 M END > 117889 > Bioorg. Med. Chem. Lett. 13(14)-2003 2297-2302 > fXa > 4.9747 $$$$ SciTegic07090714202D 30 32 0 0 1 0 999 V2000 -5.1894 6.0109 0.0000 N 0 0 -5.1873 7.5117 0.0000 C 0 0 -3.8912 5.2578 0.0000 C 0 0 2 0 0 0 -2.5902 6.0059 0.0000 C 0 0 1.2990 -0.7500 0.0000 N 0 0 -3.8933 3.7570 0.0000 C 0 0 -2.5951 3.0039 0.0000 N 0 0 -6.4855 8.2648 0.0000 C 0 0 -1.2390 5.3844 0.0000 C 0 0 -0.2349 6.4987 0.0000 O 0 0 -2.4517 7.4867 0.0000 C 0 0 -4.1470 8.1099 0.0000 O 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -4.9336 3.1588 0.0000 O 0 0 -0.9844 7.7980 0.0000 C 0 0 -6.4856 9.7648 0.0000 C 0 0 -7.7846 7.5148 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 -9.0836 9.7649 0.0000 C 0 0 -9.0837 8.2649 0.0000 C 0 0 -7.7846 10.5148 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -10.3818 10.5180 0.0000 O 0 0 2.5956 -2.7031 0.0000 C 0 0 3.6375 -0.9049 0.0000 C 0 0 -10.3801 11.7180 0.0000 C 0 0 2 1 1 0 3 1 1 0 3 4 1 6 5 13 1 0 6 3 1 0 7 6 1 0 8 2 1 0 9 4 2 0 10 9 1 0 11 4 1 0 12 2 2 0 13 25 1 0 14 24 1 0 15 6 2 0 16 11 2 0 17 8 1 0 18 8 2 0 19 5 1 0 20 7 1 0 21 22 2 0 22 18 1 0 23 17 2 0 24 26 1 0 25 26 1 0 26 20 1 0 27 21 1 0 28 19 1 0 29 19 1 0 30 27 1 0 16 10 1 0 23 21 1 0 5 14 1 0 M END > 117785 > Bioorg. Med. Chem. Lett. 13(14)-2003 2255-2259 > fXa > 5.3010 $$$$ SciTegic07090714202D 30 33 0 0 1 0 999 V2000 -3.9122 1.4966 0.0000 C 0 0 5.1872 0.7567 0.0000 C 0 0 5.1929 -0.7441 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -4.9506 0.8952 0.0000 N 0 0 6.4942 -1.4919 0.0000 C 0 0 3.8942 -1.4964 0.0000 C 0 0 13.2911 -1.1889 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 4.1460 1.3534 0.0000 O 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 10.3937 -3.7396 0.0000 O 0 0 7.7933 -0.7419 0.0000 C 0 0 6.4943 -2.9919 0.0000 C 0 0 -3.9141 2.6966 0.0000 N 0 0 9.0923 -2.9919 0.0000 C 0 0 6.2243 1.3603 0.0000 O 0 0 2.5929 0.7486 0.0000 C 0 0 9.0923 -1.4919 0.0000 C 0 0 7.7933 -3.7419 0.0000 C 0 0 11.6923 -2.9873 0.0000 C 0 0 1 0 0 0 13.0459 -3.6036 0.0000 C 0 0 14.0457 -2.4853 0.0000 C 0 0 11.8250 -1.5059 0.0000 C 0 0 2 3 1 0 3 10 1 0 4 1 1 0 5 4 2 0 6 5 1 0 7 16 1 0 8 1 2 0 9 3 1 0 10 12 1 0 11 30 1 0 12 13 1 0 13 7 2 0 14 2 2 0 15 4 1 0 16 15 2 0 17 6 2 0 18 22 1 0 19 9 2 0 20 9 1 0 21 1 1 0 22 26 1 0 23 2 1 0 24 17 1 0 25 19 1 0 26 20 2 0 27 18 1 6 28 27 1 0 29 28 1 0 30 27 1 0 7 6 1 0 12 24 2 0 25 22 2 0 11 29 1 0 M END > 16149 > J. Med. Chem. 37(8)-1994 1200-1207 > fXa > 5.3872 $$$$ SciTegic07090714202D 30 33 0 0 1 0 999 V2000 6.6309 -5.2378 0.0000 C 0 0 6.4930 -3.7570 0.0000 N 0 0 1.2990 -0.7500 0.0000 N 0 0 8.0981 -5.5497 0.0000 O 0 0 13.5923 -6.3743 0.0000 C 0 0 12.7118 -5.1588 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 5.1945 -3.0045 0.0000 C 0 0 8.8481 -4.2507 0.0000 C 0 0 2 0 0 0 7.8444 -3.1359 0.0000 C 0 0 11.2189 -5.3126 0.0000 N 0 0 2.5987 -1.5004 0.0000 C 0 0 5.7344 -6.0355 0.0000 O 0 0 15.0846 -6.2227 0.0000 C 0 0 2.3383 1.3500 0.0000 O 0 0 13.2019 -4.0634 0.0000 O 0 0 3.8943 -3.7525 0.0000 C 0 0 5.1969 -1.5045 0.0000 C 0 0 3.8991 -0.7525 0.0000 C 0 0 2.5965 -3.0004 0.0000 C 0 0 -1.2990 0.7500 0.0000 O 0 0 10.3385 -4.0971 0.0000 C 0 0 15.5765 -5.1282 0.0000 Cl 0 0 0.0000 1.5000 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 12.9774 -7.7425 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 15.9621 -7.4393 0.0000 C 0 0 13.8549 -8.9591 0.0000 C 0 0 15.3472 -8.8075 0.0000 C 0 0 2 1 1 0 3 12 1 0 4 1 1 0 5 6 1 0 6 11 1 0 7 3 1 0 8 2 1 0 9 4 1 0 10 2 1 0 11 22 1 0 12 19 1 0 13 1 2 0 14 5 1 0 15 7 2 0 16 6 2 0 17 8 2 0 18 8 1 0 19 18 2 0 20 17 1 0 21 27 1 0 9 22 1 6 23 14 1 0 24 7 1 0 25 3 1 0 26 5 2 0 27 25 1 0 28 14 2 0 29 26 1 0 30 29 2 0 10 9 1 0 12 20 2 0 24 21 1 0 30 28 1 0 M END > 161592 > J. Med. Chem. 48(19)-2005 5900-5908 > fXa > 5.6990 $$$$ SciTegic07090714202D 30 32 0 0 1 0 999 V2000 -2.5870 3.7544 0.0000 N 0 0 -1.2907 2.9981 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1 0 0 0 -1.5999 6.2291 0.0000 C 0 0 -2.7213 5.2356 0.0000 C 0 0 2 0 0 0 0.0000 0.7486 0.0000 C 0 0 0.5732 15.0975 0.0000 C 0 0 -1.8992 7.6998 0.0000 N 0 0 -2.6111 0.7486 0.0000 N 0 0 -0.2489 3.5938 0.0000 O 0 0 1.4714 15.8933 0.0000 N 0 0 -0.4618 5.8487 0.0000 O 0 0 0.0000 -0.7486 0.0000 C 0 0 0.8724 13.6268 0.0000 N 0 0 -0.5649 15.4779 0.0000 N 0 0 1.5459 9.0190 0.0000 O 0 0 -3.9399 3.1366 0.0000 C 0 0 0.6486 8.2222 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -0.7758 8.6950 0.0000 C 0 0 2 0 0 0 -4.1878 5.5510 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 -4.9409 4.2538 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 -0.2510 12.6316 0.0000 C 0 0 -1.0751 10.1657 0.0000 C 0 0 0.0483 11.1609 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2 1 1 0 3 2 1 0 4 5 1 0 5 1 1 0 6 3 1 0 7 14 1 0 8 4 1 0 3 9 1 1 10 2 2 0 11 7 2 0 12 4 2 0 13 6 2 0 14 26 1 0 15 7 1 0 16 18 2 0 17 1 1 0 18 20 1 0 19 9 1 0 20 8 1 0 5 21 1 1 22 6 1 0 23 17 1 0 24 19 1 0 25 13 1 0 26 28 1 0 20 27 1 1 28 27 1 0 29 22 2 0 30 29 1 0 23 21 1 0 24 13 1 0 25 30 2 0 M END > 84097 > J. Med. Chem. 36(3)-1993 314-319 > fXa > 6.1938 $$$$ SciTegic07090714202D 30 33 0 0 0 0 999 V2000 -3.8912 5.2578 0.0000 C 0 0 -5.1900 6.0107 0.0000 N 0 0 -6.4915 5.2634 0.0000 C 0 0 -3.8933 3.7570 0.0000 C 0 0 1.2990 -0.7500 0.0000 N 0 0 -2.5067 5.1890 0.0000 C 0 0 -3.2546 6.4892 0.0000 C 0 0 -2.5951 3.0039 0.0000 N 0 0 -7.7900 6.0160 0.0000 C 0 0 2.5987 -1.5004 0.0000 C 0 0 -6.4940 4.0634 0.0000 O 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -4.9336 3.1588 0.0000 O 0 0 5.1945 -3.0045 0.0000 N 0 0 -9.0919 5.2710 0.0000 C 0 0 -7.7844 7.5161 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 -10.3824 7.5259 0.0000 C 0 0 3.8991 -0.7525 0.0000 C 0 0 2.5965 -3.0004 0.0000 C 0 0 -9.0806 8.2710 0.0000 C 0 0 -10.3881 6.0259 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -11.6809 8.2785 0.0000 O 0 0 5.1969 -1.5045 0.0000 C 0 0 3.8943 -3.7525 0.0000 C 0 0 -12.7215 7.6810 0.0000 C 0 0 2 1 1 0 3 2 1 0 4 1 1 0 5 13 1 0 6 1 1 0 7 1 1 0 8 4 1 0 9 3 1 0 10 5 1 0 11 3 2 0 12 24 1 0 13 25 1 0 14 4 2 0 15 29 2 0 16 9 2 0 17 9 1 0 18 8 1 0 19 22 1 0 20 10 1 0 21 10 2 0 22 17 2 0 23 16 1 0 24 26 1 0 25 26 1 0 26 18 1 0 27 19 1 0 28 20 2 0 29 21 1 0 30 27 1 0 7 6 1 0 19 23 2 0 12 5 1 0 28 15 1 0 M END > 167467 > J. Med. Chem. 49(4)-2006 1231-1234 > fXa > 6.7570 $$$$ SciTegic07090714202D 30 33 0 0 0 0 999 V2000 1.7138 1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 4.0872 0.0320 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 9.3512 -1.2122 0.0000 N 0 0 4.8506 -1.2602 0.0000 N 0 0 2.1812 2.6271 0.0000 C 0 0 4.6772 1.0770 0.0000 O 0 0 8.6160 -2.5196 0.0000 C 0 0 8.5865 0.0783 0.0000 C 0 0 3.6500 2.9355 0.0000 C 0 0 6.3513 -1.2462 0.0000 C 0 0 7.1161 -2.5366 0.0000 C 0 0 7.0866 0.0613 0.0000 C 0 0 10.8520 -1.1982 0.0000 C 0 0 4.1200 4.3600 0.0000 C 0 0 5.5886 4.6654 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 6.0617 6.0897 0.0000 O 0 0 -1.0028 -1.5132 0.0000 C 0 0 6.1174 2.1217 0.0000 C 0 0 4.6488 1.8163 0.0000 C 0 0 6.5873 3.5462 0.0000 C 0 0 11.4623 -2.2315 0.0000 C 0 0 11.4420 -0.1533 0.0000 C 0 0 7.2369 6.3323 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 2 1 1 0 3 2 2 0 4 2 1 0 5 1 1 0 6 5 1 0 7 12 1 0 8 4 1 0 9 1 1 0 10 4 2 0 11 15 1 0 12 16 1 0 13 9 1 0 14 8 1 0 15 14 1 0 16 14 1 0 17 7 1 0 18 13 1 0 19 18 2 0 20 5 2 0 21 19 1 0 22 6 2 0 23 24 1 0 24 13 2 0 25 23 2 0 26 17 1 0 27 17 1 0 28 21 1 0 29 20 1 0 30 29 2 0 3 6 1 0 22 30 1 0 25 19 1 0 11 7 1 0 M END > 153212 > J. Med. Chem. 48(14)-2005 4511-4525 > fXa > 7.0506 $$$$ SciTegic07090714202D 30 32 0 0 0 0 999 V2000 -1.3070 5.2502 0.0000 C 0 0 -2.5205 6.1100 0.0000 C 0 0 -1.3039 3.7494 0.0000 C 0 0 -3.9428 5.6391 0.0000 N 0 0 -5.0644 6.6363 0.0000 C 0 0 -0.0935 6.1100 0.0000 S 0 0 -0.0031 3.0008 0.0000 N 0 0 2.5973 -1.5031 0.0000 C 0 0 -2.0570 7.5366 0.0000 C 0 0 -0.5570 7.5366 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 -6.4891 6.1645 0.0000 C 0 0 2.5956 -2.7031 0.0000 N 0 0 -2.3421 3.1476 0.0000 O 0 0 -10.7589 4.7407 0.0000 C 0 0 -9.3352 5.2155 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -4.8219 7.8116 0.0000 O 0 0 -7.6116 7.1595 0.0000 C 0 0 -6.7898 4.6948 0.0000 C 0 0 -8.2128 4.2204 0.0000 C 0 0 -9.0346 6.6851 0.0000 C 0 0 3.6375 -0.9049 0.0000 N 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -11.0002 3.5652 0.0000 C 0 0 -11.6566 5.5371 0.0000 C 0 0 -11.8975 4.3617 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 2 1 2 0 3 1 1 0 4 2 1 0 5 4 1 0 6 1 1 0 7 3 1 0 8 11 1 0 9 2 1 0 10 6 1 0 11 18 1 0 12 5 1 0 13 8 2 0 14 3 2 0 15 16 1 0 16 22 1 0 17 7 1 0 18 17 2 0 19 5 2 0 20 12 2 0 21 12 1 0 22 21 2 0 23 20 1 0 24 8 1 0 25 26 1 0 26 30 2 0 27 15 1 0 28 15 1 0 29 15 1 0 30 17 1 0 10 9 2 0 25 11 2 0 16 23 2 0 M END > 124491 > J. Med. Chem. 43(5)-2000 883-899 > fXa > 7.0969 $$$$ SciTegic07090714202D 30 33 0 0 1 0 999 V2000 -2.6469 8.1204 0.0000 S 0 0 -3.2593 9.4906 0.0000 C 0 0 -1.3039 3.7494 0.0000 N 0 0 -1.4470 5.2297 0.0000 C 0 0 -4.7180 9.7803 0.0000 S 0 0 -2.9153 5.5365 0.0000 C 0 0 1 0 0 0 -3.5266 6.9044 0.0000 N 0 0 -4.8768 11.2719 0.0000 C 0 0 -6.1776 12.0204 0.0000 C 0 0 -2.5021 10.7706 0.0000 C 0 0 -7.5680 11.5061 0.0000 N 0 0 -3.5074 11.8839 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 -3.6607 4.2349 0.0000 C 0 0 -1.4532 7.9970 0.0000 O 0 0 -2.1567 7.0250 0.0000 O 0 0 -6.1966 13.5085 0.0000 C 0 0 -0.0031 3.0008 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 -8.4831 12.6946 0.0000 O 0 0 -2.6532 3.1236 0.0000 C 0 0 2.5956 -2.7031 0.0000 N 0 0 -0.5532 6.0305 0.0000 O 0 0 -7.6355 13.9322 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 3.6375 -0.9049 0.0000 N 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 2 1 1 0 3 4 1 0 4 6 1 0 5 2 1 0 6 7 1 6 7 1 1 0 8 5 1 0 9 8 1 0 10 2 2 0 11 9 2 0 12 10 1 0 13 19 1 0 14 6 1 0 15 1 2 0 16 1 2 0 17 9 1 0 18 3 1 0 19 25 1 0 20 11 1 0 21 14 1 0 22 13 2 0 23 4 2 0 24 17 2 0 25 26 2 0 26 18 1 0 27 13 1 0 28 29 1 0 29 30 2 0 30 26 1 0 12 8 2 0 3 21 1 0 24 20 1 0 19 28 2 0 M END > 53370 > J. Med. Chem. 42(18)-1999 3572-3587 > fXa > 7.3098 $$$$ SciTegic07090714202D 30 32 0 0 0 0 999 V2000 10.3944 12.0072 0.0000 S 0 0 9.0944 12.7572 0.0000 C 0 0 7.7956 12.0067 0.0000 C 0 0 15.5952 3.0121 0.0000 C 0 0 9.0934 5.2548 0.0000 C 0 0 10.3955 10.8072 0.0000 O 0 0 11.4332 12.6079 0.0000 O 0 0 14.2927 3.7578 0.0000 C 0 0 9.0946 3.7540 0.0000 C 0 0 7.7961 10.5060 0.0000 C 0 0 10.3945 3.0038 0.0000 C 0 0 16.6326 3.6152 0.0000 N 0 0 7.7935 6.0050 0.0000 N 0 0 11.4341 11.4080 0.0000 N 0 0 12.9949 3.0057 0.0000 C 0 0 10.1323 5.8553 0.0000 O 0 0 9.0942 9.7542 0.0000 C 0 0 6.4961 9.7575 0.0000 C 0 0 11.6946 3.7536 0.0000 C 0 0 15.5992 1.8121 0.0000 N 0 0 7.7923 7.5059 0.0000 C 0 0 6.4942 8.2575 0.0000 C 0 0 9.0923 8.2542 0.0000 C 0 0 9.0939 14.2572 0.0000 C 0 0 6.4963 12.7563 0.0000 C 0 0 14.2904 5.2578 0.0000 C 0 0 12.9901 6.0057 0.0000 C 0 0 11.6923 5.2537 0.0000 C 0 0 7.7946 15.0067 0.0000 C 0 0 6.4958 14.2563 0.0000 C 0 0 2 1 1 0 3 2 2 0 4 8 1 0 5 13 1 0 6 1 2 0 7 1 2 0 8 15 2 0 9 5 1 0 10 3 1 0 11 9 2 0 12 4 2 0 13 21 1 0 14 1 1 0 15 19 1 0 16 5 2 0 17 10 1 0 18 10 2 0 19 11 1 0 20 4 1 0 21 22 2 0 22 18 1 0 23 17 2 0 24 2 1 0 25 3 1 0 26 27 2 0 27 28 1 0 28 19 2 0 29 24 2 0 30 29 1 0 25 30 2 0 21 23 1 0 8 26 1 0 M END > 3268 > Bioorg. Med. Chem. Lett. 12(11)-2002 1511-1515 > fXa > 7.7696 $$$$ SciTegic07090714202D 30 33 0 0 1 0 999 V2000 -3.9106 1.4992 0.0000 S 0 0 -8.8646 1.9993 0.0000 N 0 0 -8.1118 3.2967 0.0000 C 0 0 -5.2109 0.7498 0.0000 N 0 0 -6.6452 2.9816 0.0000 C 0 0 -6.5106 1.5004 0.0000 C 0 0 1 0 0 0 -2.6111 0.7486 0.0000 C 0 0 -14.5581 -1.2196 0.0000 C 0 0 -7.8633 0.8823 0.0000 C 0 0 -3.9101 2.6992 0.0000 O 0 0 -4.9495 2.0999 0.0000 O 0 0 -10.3547 1.8428 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -13.0660 -1.0577 0.0000 C 0 0 -15.0432 -2.3172 0.0000 N 0 0 -8.5974 4.3940 0.0000 O 0 0 0.0000 0.7486 0.0000 C 0 0 -12.4577 0.3134 0.0000 C 0 0 -10.9661 0.4722 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -15.2664 -0.2509 0.0000 N 0 0 -12.1828 -2.2701 0.0000 C 0 0 -10.6912 -2.1114 0.0000 C 0 0 -10.0829 -0.7403 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2 9 1 0 3 5 1 0 4 1 1 0 5 6 1 0 6 4 1 6 7 1 1 0 8 14 1 0 9 6 1 0 10 1 2 0 11 1 2 0 12 2 1 0 13 7 2 0 14 18 1 0 15 8 2 0 16 3 2 0 17 13 1 0 18 19 2 0 19 12 1 0 20 7 1 0 21 22 1 0 22 20 2 0 23 8 1 0 24 25 1 0 25 26 2 0 26 19 1 0 27 17 2 0 28 21 2 0 29 27 1 0 30 28 1 0 21 17 1 0 2 3 1 0 29 30 2 0 14 24 2 0 M END > 53305 > J. Med. Chem. 42(18)-1999 3557-3571 > fXa > 8.0088 $$$$ SciTegic07090714202D 30 33 0 0 0 0 999 V2000 -3.8933 3.7570 0.0000 C 0 0 -4.0312 5.2378 0.0000 N 0 0 -5.4984 5.5497 0.0000 N 0 0 -6.2484 4.2507 0.0000 N 0 0 -5.2447 3.1359 0.0000 N 0 0 -2.5951 3.0039 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 -2.9100 6.2354 0.0000 C 0 0 -2.5973 1.5031 0.0000 N 0 0 2.5951 -3.0039 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 -1.4585 5.8783 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -0.4206 6.9612 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.5549 3.6021 0.0000 O 0 0 -0.8394 8.4015 0.0000 C 0 0 3.6375 -0.9049 0.0000 O 0 0 -3.3341 7.6761 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -2.2962 8.7590 0.0000 C 0 0 0.7449 6.6752 0.0000 N 0 0 -2.3383 -1.3500 0.0000 F 0 0 -0.0090 9.2678 0.0000 Cl 0 0 3.8056 -3.8679 0.0000 C 0 0 1.3786 -3.8595 0.0000 C 0 0 1.8372 -5.2877 0.0000 C 0 0 3.3372 -5.2929 0.0000 C 0 0 2 1 1 0 3 2 1 0 4 5 1 0 5 1 2 0 6 1 1 0 7 11 1 0 8 2 1 0 9 6 1 0 10 7 1 0 11 21 2 0 12 8 2 0 13 9 1 0 14 12 1 0 15 13 1 0 16 15 2 0 17 6 2 0 18 23 1 0 19 7 2 0 20 8 1 0 21 22 1 0 22 13 2 0 23 20 2 0 24 14 1 0 25 15 1 0 26 18 1 0 27 10 1 0 28 10 1 0 29 28 1 0 30 27 1 0 3 4 2 0 11 16 1 0 14 18 2 0 30 29 1 0 M END > 100445 > Bioorg. Med. Chem. Lett. 13(3)-2003 369-373 > fXa > 8.5229 $$$$ SciTegic07090714202D 30 33 0 0 0 0 999 V2000 3.9511 -0.8815 0.0000 C 0 0 2.5987 -1.5004 0.0000 N 0 0 2.7343 -2.9815 0.0000 N 0 0 4.2568 0.5852 0.0000 C 0 0 4.9531 -1.9978 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 4.2010 -3.2956 0.0000 C 0 0 -0.0031 3.0008 0.0000 C 0 0 5.6819 1.0556 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.0432 3.5993 0.0000 N 0 0 3.3615 1.3843 0.0000 O 0 0 6.5939 5.4632 0.0000 C 0 0 5.9880 2.5249 0.0000 C 0 0 6.8970 6.9330 0.0000 C 0 0 7.7147 4.4663 0.0000 C 0 0 5.1702 4.9910 0.0000 C 0 0 1.0351 3.6026 0.0000 N 0 0 7.4118 2.9972 0.0000 C 0 0 4.8672 3.5219 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 4.6873 -4.3927 0.0000 C 0 0 5.7778 7.9318 0.0000 C 0 0 8.3215 7.4031 0.0000 C 0 0 8.6268 8.8717 0.0000 C 0 0 6.0831 9.4004 0.0000 C 0 0 7.5076 9.8704 0.0000 C 0 0 2 1 1 0 3 2 1 0 4 1 1 0 5 1 2 0 6 2 1 0 7 5 1 0 8 11 1 0 9 4 1 0 10 6 2 0 11 10 1 0 12 8 2 0 13 4 2 0 14 18 2 0 15 9 1 0 16 14 1 0 17 20 2 0 18 21 1 0 19 8 1 0 20 15 1 0 21 15 2 0 22 6 1 0 23 24 1 0 24 22 2 0 25 7 1 0 26 16 2 0 27 16 1 0 28 27 2 0 29 26 1 0 30 28 1 0 3 7 2 0 14 17 1 0 23 11 2 0 30 29 2 0 M END > 85389 > J. Med. Chem. 44(4)-2001 566-578 > fXa > 8.8861 $$$$ SciTegic07090714202D 30 33 0 0 1 0 999 V2000 -1.2876 2.9981 0.0000 S 0 0 -1.8052 7.5382 0.0000 N 0 0 -1.3531 6.1079 0.0000 C 0 0 -2.5735 5.2578 0.0000 C 0 0 1 0 0 0 -2.5824 3.7570 0.0000 N 0 0 -1.2964 1.4973 0.0000 C 0 0 -0.3505 13.9148 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -0.2446 3.5916 0.0000 O 0 0 -1.2799 4.1981 0.0000 O 0 0 -3.7801 6.1273 0.0000 C 0 0 -0.9174 8.7451 0.0000 C 0 0 -1.2357 12.7028 0.0000 C 0 0 -3.3052 7.5502 0.0000 C 0 0 -0.8352 15.0126 0.0000 N 0 0 -0.2171 5.7212 0.0000 O 0 0 -0.6318 11.3297 0.0000 C 0 0 -1.5189 10.1201 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.8425 13.7861 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.7267 12.8663 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6139 11.6568 0.0000 C 0 0 -3.0100 10.2837 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2 3 1 0 3 4 1 0 4 5 1 1 5 1 1 0 6 1 1 0 7 13 1 0 8 6 2 0 9 1 2 0 10 1 2 0 11 4 1 0 12 2 1 0 13 17 1 0 14 11 1 0 15 7 2 0 16 3 2 0 17 18 2 0 18 12 1 0 19 8 1 0 20 7 1 0 21 6 1 0 22 25 1 0 23 8 1 0 24 21 2 0 25 26 2 0 26 18 1 0 27 24 1 0 28 19 1 0 29 23 2 0 30 29 1 0 19 27 2 0 2 14 1 0 30 28 2 0 13 22 2 0 M END > 53311 > J. Med. Chem. 42(18)-1999 3557-3571 > fXa > 9.1249 $$$$ SciTegic07090714202D 30 33 0 0 1 0 999 V2000 4.0872 0.0351 0.0000 S 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 8.6176 0.6313 0.0000 N 0 0 7.1954 0.1545 0.0000 C 0 0 6.3243 1.3600 0.0000 C 0 0 1 0 0 0 1.7138 -1.2033 0.0000 S 0 0 4.8236 1.3429 0.0000 N 0 0 11.2041 0.3897 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 9.8397 -0.2354 0.0000 C 0 0 12.8451 4.0053 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 12.7043 2.5111 0.0000 C 0 0 11.3419 1.8835 0.0000 C 0 0 7.1728 2.5814 0.0000 C 0 0 4.6987 -0.9974 0.0000 O 0 0 5.2871 0.0482 0.0000 O 0 0 8.6036 2.1313 0.0000 C 0 0 12.4289 -0.4763 0.0000 C 0 0 -1.0028 1.5132 0.0000 N 0 0 13.9357 4.5058 0.0000 N 0 0 6.8285 -0.9880 0.0000 O 0 0 13.9290 1.6450 0.0000 C 0 0 13.7913 0.1514 0.0000 C 0 0 11.8665 4.6999 0.0000 N 0 0 12.3188 -1.6712 0.0000 O 0 0 -1.0028 -1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 2 1 1 0 3 2 2 0 4 5 1 0 5 6 1 0 6 8 1 1 7 2 1 0 8 1 1 0 9 11 1 0 10 3 1 0 11 4 1 0 12 14 1 0 13 7 1 0 14 15 2 0 15 9 1 0 16 6 1 0 17 1 2 0 18 1 2 0 19 16 1 0 20 9 2 0 21 10 1 0 22 12 2 0 23 5 2 0 24 25 2 0 25 20 1 0 26 12 1 0 27 20 1 0 28 13 1 0 29 21 2 0 30 28 2 0 13 10 2 0 19 4 1 0 29 30 1 0 24 14 1 0 M END > 60150 > J. Med. Chem. 43(17)-2000 3226-3232 > fXa > 9.1549 $$$$ SciTegic07090714202D 31 32 0 0 1 0 999 V2000 3.8995 -3.7516 0.0000 N 0 0 2.5997 -3.0012 0.0000 C 0 0 2.5988 -1.5004 0.0000 C 0 0 2 0 0 0 4.2459 -5.1740 0.0000 C 0 0 2 0 0 0 3.4843 -6.4601 0.0000 C 0 0 5.3028 -3.3346 0.0000 C 0 0 3.8982 -0.7496 0.0000 N 0 0 5.6940 -4.7827 0.0000 C 0 0 4.1299 -15.5681 0.0000 C 0 0 4.2194 -7.7686 0.0000 N 0 0 5.1987 -1.4988 0.0000 C 0 0 1.5607 -3.6016 0.0000 O 0 0 3.5184 -16.6005 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 2.2844 -6.4464 0.0000 O 0 0 6.2377 -0.8985 0.0000 O 0 0 3.3949 -14.2596 0.0000 N 0 0 5.3298 -15.5818 0.0000 N 0 0 1.3433 -10.0790 0.0000 O 0 0 1.9538 -9.0458 0.0000 C 0 0 1.5598 -2.1007 0.0000 C 0 0 3.4545 -9.0599 0.0000 C 0 0 2 0 0 0 5.1995 -2.6988 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 4.1597 -12.9683 0.0000 C 0 0 4.1896 -10.3684 0.0000 C 0 0 3.4247 -11.6597 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 2 1 1 0 3 2 1 0 4 1 1 0 5 4 1 0 6 1 1 0 7 3 1 0 8 6 1 0 9 17 1 0 10 5 1 0 11 7 1 0 12 2 2 0 13 9 2 0 3 14 1 1 15 5 2 0 16 11 2 0 17 26 1 0 18 9 1 0 19 20 2 0 20 22 1 0 21 3 1 0 22 10 1 0 23 11 1 0 24 14 1 0 25 14 2 0 26 28 1 0 22 27 1 1 28 27 1 0 29 24 2 0 30 25 1 0 31 30 2 0 4 8 1 1 29 31 1 0 M END > 26873 > J. Med. Chem. 38(22)-1995 4446-4453 > fXa > 4.0655 $$$$ SciTegic07090714202D 31 34 0 0 0 0 999 V2000 2.5988 -1.5004 0.0000 S 0 0 9.0946 3.7540 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 7.7945 3.0042 0.0000 C 0 0 11.4489 4.2515 0.0000 N 0 0 10.4470 3.1351 0.0000 O 0 0 1.2990 0.7500 0.0000 C 0 0 6.4946 3.7544 0.0000 N 0 0 9.2301 5.2351 0.0000 C 0 0 10.6968 5.5493 0.0000 C 0 0 13.4106 8.4456 0.0000 C 0 0 3.6384 -0.9011 0.0000 O 0 0 2.5984 -2.7004 0.0000 O 0 0 12.7995 7.0748 0.0000 C 0 0 11.3069 6.9177 0.0000 C 0 0 2.5987 1.5004 0.0000 C 0 0 14.8684 8.7398 0.0000 O 0 0 3.6377 -2.1009 0.0000 N 0 0 7.7943 1.8042 0.0000 O 0 0 12.6497 9.7235 0.0000 C 0 0 15.0229 10.2318 0.0000 C 0 0 13.6516 10.8398 0.0000 C 0 0 5.1945 3.0046 0.0000 C 0 0 3.8991 0.7525 0.0000 C 0 0 2.5964 3.0004 0.0000 C 0 0 5.1969 1.5046 0.0000 C 0 0 3.8943 3.7525 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 2 4 1 0 3 1 1 0 4 8 1 0 5 6 1 0 6 2 1 0 7 3 1 0 8 23 1 0 9 2 1 0 10 9 1 0 11 14 1 0 12 1 2 0 13 1 2 0 14 15 2 0 15 10 1 0 16 7 1 0 17 11 1 0 18 1 1 0 19 4 2 0 20 11 2 0 21 17 1 0 22 20 1 0 23 27 2 0 24 16 1 0 25 16 2 0 26 24 2 0 27 25 1 0 28 3 2 0 29 7 2 0 30 31 2 0 31 28 1 0 30 29 1 0 23 26 1 0 5 10 2 0 22 21 2 0 M END > 104121 > Bioorg. Med. Chem. Lett. 13(10)-2003 1795-1799 > fXa > 5.6383 $$$$ SciTegic07090714202D 31 33 0 0 1 0 999 V2000 -5.1894 6.0109 0.0000 N 0 0 -5.1873 7.5117 0.0000 C 0 0 -3.8912 5.2578 0.0000 C 0 0 1 0 0 0 1.2990 -0.7500 0.0000 N 0 0 -3.8933 3.7570 0.0000 C 0 0 -2.5951 3.0039 0.0000 N 0 0 -6.4855 8.2648 0.0000 C 0 0 -4.1470 8.1099 0.0000 O 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -4.9336 3.1588 0.0000 O 0 0 -2.5902 6.0059 0.0000 C 0 0 -6.4856 9.7648 0.0000 C 0 0 -7.7846 7.5148 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 -9.0836 9.7649 0.0000 C 0 0 -7.7846 10.5148 0.0000 C 0 0 -9.0837 8.2649 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -10.3818 10.5180 0.0000 O 0 0 -1.2913 5.2555 0.0000 C 0 0 -2.5895 7.5060 0.0000 C 0 0 2.5956 -2.7031 0.0000 C 0 0 3.6375 -0.9049 0.0000 C 0 0 -10.3801 11.7180 0.0000 C 0 0 -1.2902 8.2555 0.0000 C 0 0 0.0080 6.0050 0.0000 C 0 0 0.0085 7.5050 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 9 1 0 5 3 1 0 6 5 1 0 7 2 1 0 8 2 2 0 9 21 1 0 10 20 1 0 11 5 2 0 3 12 1 6 13 7 2 0 14 7 1 0 15 4 1 0 16 6 1 0 17 19 1 0 18 13 1 0 19 14 2 0 20 22 1 0 21 22 1 0 22 16 1 0 23 17 1 0 24 12 2 0 25 12 1 0 26 15 1 0 27 15 1 0 28 23 1 0 29 25 2 0 30 24 1 0 31 29 1 0 17 18 2 0 31 30 2 0 4 10 1 0 M END > 117766 > Bioorg. Med. Chem. Lett. 13(14)-2003 2255-2259 > fXa > 5.8508 $$$$ SciTegic07090714202D 31 34 0 0 0 0 999 V2000 1.7138 1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 11.6153 -2.4904 0.0000 N 0 3 0.2917 -0.7475 0.0000 C 0 0 4.0872 0.0320 0.0000 C 0 0 6.0617 6.0897 0.0000 C 0 0 2.1812 2.6271 0.0000 C 0 0 5.5886 4.6654 0.0000 C 0 0 7.2369 6.3323 0.0000 N 0 0 4.1200 4.3600 0.0000 C 0 0 4.6772 1.0770 0.0000 O 0 0 3.6500 2.9355 0.0000 C 0 0 4.8506 -1.2602 0.0000 N 0 0 10.8506 -1.2000 0.0000 C 0 0 10.8801 -3.7979 0.0000 C 0 0 5.2643 6.9864 0.0000 N 0 0 12.8152 -2.4768 0.0000 C 0 0 8.6154 -2.5245 0.0000 C 0 0 9.3802 -3.8149 0.0000 C 0 0 9.3507 -1.2170 0.0000 C 0 0 6.3513 -1.2462 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 6.5873 3.5462 0.0000 C 0 0 6.1174 2.1217 0.0000 C 0 0 4.6488 1.8163 0.0000 C 0 0 7.1146 -2.5384 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 2 1 1 0 3 2 2 0 4 1 1 0 5 16 2 0 6 4 1 0 7 2 1 0 8 10 1 0 9 1 1 0 10 12 2 0 11 8 2 0 12 14 1 0 13 7 2 0 14 9 1 0 15 7 1 0 16 22 1 0 17 21 2 0 18 8 1 0 19 5 1 0 20 29 1 0 21 20 1 0 22 20 2 0 23 15 1 0 24 4 2 0 25 6 2 0 26 27 2 0 27 28 1 0 28 14 2 0 29 23 1 0 30 24 1 0 31 30 2 0 6 3 1 0 31 25 1 0 26 10 1 0 5 17 1 0 M CHG 1 5 1 M END > 95086 > J. Med. Chem. 45(13)-2002 2749-2769 > fXa > 5.8861 $$$$ SciTegic07090714202D 31 35 0 0 0 0 999 V2000 -5.1724 14.2654 0.0000 N 0 0 -6.4687 15.0215 0.0000 C 0 0 -1.2919 2.9980 0.0000 N 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -3.8726 12.0008 0.0000 C 0 0 -5.1672 12.7525 0.0000 C 0 0 -6.4641 16.2215 0.0000 N 0 0 -2.5740 12.7462 0.0000 C 0 0 -3.8738 15.0108 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 -3.8765 10.5038 0.0000 C 0 0 0.0089 3.7449 0.0000 C 0 0 -2.5891 3.7515 0.0000 C 0 0 -2.5701 14.2433 0.0000 C 0 0 -7.5104 14.4258 0.0000 N 0 0 -1.2793 11.9945 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.5818 9.7518 0.0000 C 0 0 -2.5826 8.2509 0.0000 O 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2833 10.4975 0.0000 C 0 0 0.0127 5.2449 0.0000 C 0 0 -2.5853 5.2515 0.0000 C 0 0 -1.2837 7.4991 0.0000 C 0 0 -1.2844 5.9982 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2 1 1 0 3 15 1 0 4 3 1 0 5 4 2 0 6 7 1 0 7 1 1 0 8 2 2 0 9 16 1 0 10 1 1 0 11 22 1 0 12 5 1 0 13 6 1 0 14 24 1 0 15 25 1 0 16 10 1 0 17 2 1 0 18 9 1 0 19 4 1 0 20 13 2 0 21 20 1 0 22 19 2 0 23 18 2 0 24 27 1 0 25 27 1 0 26 21 1 0 27 26 1 0 28 5 1 0 29 12 1 0 30 28 2 0 31 30 1 0 9 6 2 0 23 20 1 0 14 3 1 0 12 11 2 0 31 29 2 0 M END > 151922 > J. Med. Chem. 48(10)-2005 3586-3604 > fXa > 6.3768 $$$$ SciTegic07090714202D 31 34 0 0 0 0 999 V2000 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 O 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -3.9086 -1.5029 0.0000 C 0 0 -5.2134 -5.2527 0.0000 C 0 0 -3.9097 -3.0028 0.0000 C 0 0 -5.2093 -3.7519 0.0000 C 0 0 -3.6486 1.3517 0.0000 O 0 0 -5.1681 8.2686 0.0000 N 0 0 -6.2539 -5.8505 0.0000 N 0 0 -7.7625 9.7751 0.0000 O 0 0 -4.1756 -5.8552 0.0000 N 0 0 -1.2907 2.9981 0.0000 C 0 0 -5.2071 -0.7519 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 -3.8717 7.5123 0.0000 C 0 0 -5.1644 9.7686 0.0000 C 0 0 -6.4690 7.5219 0.0000 C 0 0 -6.5078 -3.0010 0.0000 C 0 0 -6.5067 -1.5010 0.0000 C 0 0 -7.7662 8.2751 0.0000 C 0 0 -6.4616 10.5219 0.0000 C 0 0 -2.5870 3.7544 0.0000 C 0 0 -3.8775 6.0115 0.0000 C 0 0 -2.5812 5.2552 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 3 1 0 5 2 1 0 6 4 1 0 7 3 1 0 8 10 1 0 9 7 1 0 10 9 2 0 11 1 2 0 12 20 1 0 13 8 2 0 14 25 1 0 15 8 1 0 16 2 1 0 17 7 2 0 18 5 1 0 19 6 1 0 20 28 1 0 21 12 1 0 22 12 1 0 23 24 2 0 24 17 1 0 25 22 1 0 26 21 1 0 27 16 1 0 28 29 1 0 29 27 1 0 30 18 2 0 31 19 2 0 6 5 2 0 10 23 1 0 30 31 1 0 14 26 1 0 M END > 74132 > J. Med. Chem. 43(22)-2000 4063-4070 > fXa > 6.6198 $$$$ SciTegic07090714202D 31 34 0 0 0 0 999 V2000 -2.6111 0.7486 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 7.7882 -2.2187 0.0000 N 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 7.7928 0.7396 0.0000 C 0 0 9.0942 1.4879 0.0000 C 0 0 -4.9506 0.8952 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 7.7858 -3.7195 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 9.0884 -1.4708 0.0000 C 0 0 6.4903 -1.4666 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 9.0908 0.0292 0.0000 C 0 0 6.4927 0.0333 0.0000 C 0 0 9.0971 2.6879 0.0000 O 0 0 7.7858 -6.7196 0.0000 N 0 0 -1.2964 -1.4973 0.0000 C 0 0 -3.9141 2.6966 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 10.1322 0.8858 0.0000 O 0 0 6.4867 -4.4696 0.0000 C 0 0 9.0848 -4.4696 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 3.8942 1.4964 0.0000 O 0 0 6.4942 1.4919 0.0000 C 0 0 5.1929 0.7441 0.0000 C 0 0 9.0848 -5.9696 0.0000 C 0 0 6.4867 -5.9696 0.0000 C 0 0 2 1 1 0 3 13 1 0 4 5 1 0 5 1 1 0 6 28 1 0 7 6 1 0 8 2 2 0 9 19 1 0 10 3 1 0 11 1 1 0 12 15 1 0 13 16 1 0 14 4 1 0 15 6 1 0 16 6 1 0 17 7 2 0 18 30 2 0 19 11 1 0 20 2 1 0 21 9 1 0 22 14 2 0 23 7 1 0 24 10 1 0 25 10 2 0 26 21 2 0 27 22 1 0 28 29 1 0 29 27 1 0 30 25 1 0 31 24 2 0 9 4 2 0 26 22 1 0 12 3 1 0 31 18 1 0 M END > 151939 > J. Med. Chem. 48(10)-2005 3586-3604 > fXa > 6.6383 $$$$ SciTegic07090714202D 31 34 0 0 0 0 999 V2000 1.3822 -3.8645 0.0000 C 0 0 1.8466 -5.2908 0.0000 N 0 0 2.5951 -3.0039 0.0000 C 0 0 3.3466 -5.2898 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 3.8092 -3.8630 0.0000 C 0 0 -1.3940 -10.3346 0.0000 C 0 0 -2.8942 -10.2893 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 -0.0031 3.0008 0.0000 C 0 0 0.9652 -6.5055 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 0.2429 -3.4876 0.0000 O 0 0 -0.6039 -9.0586 0.0000 C 0 0 4.0525 -6.2602 0.0000 O 0 0 -1.0432 3.5993 0.0000 N 0 0 -0.8260 -11.3916 0.0000 O 0 0 -0.5292 -6.4616 0.0000 C 0 0 1.6825 -7.8248 0.0000 C 0 0 -1.3162 -7.7385 0.0000 C 0 0 0.8955 -9.1017 0.0000 C 0 0 1.0351 3.6026 0.0000 N 0 0 3.6375 -0.9049 0.0000 C 0 0 -3.7927 -11.4744 0.0000 C 0 0 -3.7144 -9.0486 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -5.2036 -10.9651 0.0000 C 0 0 -5.1552 -9.4659 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 2 1 0 5 3 2 0 6 3 1 0 7 15 1 0 8 7 1 0 9 5 1 0 10 13 1 0 11 2 1 0 12 9 2 0 13 12 1 0 14 1 2 0 15 22 1 0 16 4 2 0 17 10 2 0 18 7 2 0 19 11 2 0 20 11 1 0 21 19 1 0 22 20 2 0 23 10 1 0 24 5 1 0 25 8 1 0 26 8 1 0 27 9 1 0 28 29 1 0 29 27 2 0 30 25 1 0 31 26 1 0 6 4 1 0 21 15 2 0 28 13 2 0 31 30 1 0 M END > 100371 > Bioorg. Med. Chem. Lett. 13(2)-2003 297-300 > fXa > 6.7447 $$$$ SciTegic07090714202D 31 33 0 0 0 0 999 V2000 -7.8190 14.9887 0.0000 N 0 0 -7.8221 16.4895 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 -2.6109 7.4996 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 -8.8622 17.0880 0.0000 N 0 0 -3.9118 8.2481 0.0000 C 0 0 2.5956 -2.7031 0.0000 N 0 0 -6.5200 14.2387 0.0000 C 0 0 -9.1180 14.2386 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -1.5728 8.1014 0.0000 O 0 0 -6.5199 12.7387 0.0000 C 0 0 -9.1180 12.7386 0.0000 C 0 0 -7.8159 10.4877 0.0000 O 0 0 -2.6078 5.9988 0.0000 N 0 0 -5.2083 7.4937 0.0000 C 0 0 -3.9171 9.7482 0.0000 C 0 0 3.6375 -0.9049 0.0000 N 0 0 -7.8190 11.9886 0.0000 C 0 0 -6.5151 9.7392 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -6.5099 8.2392 0.0000 C 0 0 -5.2187 10.4937 0.0000 C 0 0 -0.0031 3.0008 0.0000 O 0 0 -6.7839 17.0913 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.3070 5.2502 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.3039 3.7494 0.0000 C 0 0 2 1 1 0 3 5 1 0 4 7 1 0 5 11 2 0 6 2 2 0 7 18 1 0 8 3 2 0 9 1 1 0 10 1 1 0 11 22 1 0 12 4 2 0 13 9 1 0 14 10 1 0 15 20 1 0 16 4 1 0 17 23 1 0 18 24 2 0 19 3 1 0 20 14 1 0 21 15 1 0 22 25 1 0 23 21 2 0 24 21 1 0 25 31 1 0 26 2 1 0 27 28 2 0 28 30 1 0 29 16 1 0 30 22 2 0 31 29 1 0 13 20 1 0 17 7 2 0 5 27 1 0 M END > 110460 > J. Med. Chem. 46(10)-2003 1845-1857 > fXa > 6.7696 $$$$ SciTegic07090714202D 31 33 0 0 0 0 999 V2000 4.9531 -1.9978 0.0000 C 0 0 2.7343 -2.9815 0.0000 N 0 0 5.5388 -0.6301 0.0000 C 0 0 4.2010 -3.2956 0.0000 O 0 0 2.5987 -1.5004 0.0000 C 0 0 5.8061 -3.2164 0.0000 C 0 0 3.9511 -0.8815 0.0000 C 0 0 -0.0031 3.0008 0.0000 C 0 0 9.4752 5.0072 0.0000 C 0 0 7.0315 -0.4745 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 5.1940 -4.5867 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 8.8627 3.6371 0.0000 C 0 0 -1.0432 3.5993 0.0000 N 0 0 10.6688 5.1316 0.0000 N 0 0 4.8346 0.3416 0.0000 O 0 0 4.0004 -4.7104 0.0000 O 0 0 7.6440 0.8957 0.0000 C 0 0 7.3710 3.4795 0.0000 C 0 0 9.7450 2.4240 0.0000 C 0 0 1.0351 3.6026 0.0000 N 0 0 8.7711 5.9789 0.0000 N 0 0 9.1357 1.0534 0.0000 C 0 0 6.7617 2.1088 0.0000 C 0 0 6.0740 -5.8025 0.0000 O 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 5.5846 -6.8982 0.0000 C 0 0 2 4 1 0 3 1 1 0 4 1 1 0 5 7 1 0 6 1 1 0 7 1 1 0 8 13 1 0 9 15 1 0 10 3 1 0 11 5 1 0 12 6 1 0 13 14 1 0 14 11 2 0 15 21 2 0 16 8 2 0 17 9 2 0 18 3 2 0 19 12 2 0 20 10 1 0 21 26 1 0 22 25 2 0 23 8 1 0 24 9 1 0 25 20 1 0 26 20 2 0 27 12 1 0 28 11 1 0 29 30 1 0 30 28 2 0 31 27 1 0 5 2 2 0 22 15 1 0 13 29 2 0 M END > 52654 > J. Med. Chem. 42(15)-1999 2752-2773 > fXa > 7.0269 $$$$ SciTegic07090714202D 31 33 0 0 1 0 999 V2000 -1.3039 3.7494 0.0000 C 0 0 1 0 0 0 -2.6109 7.4996 0.0000 C 0 0 -7.8174 10.4850 0.0000 C 0 0 -2.6078 5.9988 0.0000 N 0 0 -7.9628 11.9652 0.0000 N 0 0 -2.6008 2.9940 0.0000 C 0 0 -1.3070 5.2502 0.0000 C 0 0 2 0 0 0 2.5973 -1.5031 0.0000 C 0 0 -9.1657 9.8572 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 -0.0031 3.0008 0.0000 C 0 0 -3.9118 8.2481 0.0000 C 0 0 -6.5151 9.7392 0.0000 C 0 0 2.5956 -2.7031 0.0000 N 0 0 -9.4315 12.2696 0.0000 C 0 0 -1.5728 8.1014 0.0000 O 0 0 1.2990 0.7500 0.0000 C 0 0 -10.1750 10.9668 0.0000 C 0 0 -3.6421 3.5904 0.0000 O 0 0 0.0000 1.5000 0.0000 C 0 0 -3.9171 9.7482 0.0000 C 0 0 -5.2083 7.4937 0.0000 C 0 0 -6.5099 8.2392 0.0000 C 0 0 -5.2187 10.4937 0.0000 C 0 0 3.6375 -0.9049 0.0000 N 0 0 -2.5961 1.4932 0.0000 O 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -0.2688 5.8520 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -3.6330 0.8893 0.0000 C 0 0 2 4 1 0 3 13 1 0 4 7 1 0 5 3 2 0 1 6 1 1 7 1 1 0 8 10 1 0 9 3 1 0 10 17 1 0 11 1 1 0 12 2 1 0 13 23 2 0 14 8 2 0 15 5 1 0 16 2 2 0 17 20 2 0 18 9 1 0 19 6 2 0 20 11 1 0 21 12 1 0 22 12 2 0 23 22 1 0 24 21 2 0 25 8 1 0 26 6 1 0 27 28 1 0 28 30 2 0 7 29 1 6 30 20 1 0 31 26 1 0 27 10 2 0 24 13 1 0 18 15 2 0 M END > 3853 > Bioorg. Med. Chem. Lett. 12(12)-2002 1671-1674 > fXa > 7.3372 $$$$ SciTegic07090714202D 31 34 0 0 0 0 999 V2000 -2.5974 7.5109 0.0000 C 0 0 -2.5952 6.0101 0.0000 N 0 0 1.2990 -0.7500 0.0000 N 0 0 -3.8933 3.7570 0.0000 C 0 0 -3.8934 5.2570 0.0000 C 0 0 -2.5951 3.0039 0.0000 N 0 0 -1.2992 8.2641 0.0000 C 0 0 -5.1925 3.0070 0.0000 N 0 0 2.5987 -1.5004 0.0000 C 0 0 -3.6376 8.1091 0.0000 O 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 5.1945 -3.0045 0.0000 N 0 0 -1.2991 9.7641 0.0000 C 0 0 0.0000 7.5141 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 1.2989 9.7642 0.0000 C 0 0 3.8991 -0.7525 0.0000 C 0 0 2.5965 -3.0004 0.0000 C 0 0 1.2990 8.2642 0.0000 C 0 0 -0.0001 10.5141 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 2.5971 10.5173 0.0000 O 0 0 5.1969 -1.5045 0.0000 C 0 0 3.8943 -3.7525 0.0000 C 0 0 -5.1924 6.0070 0.0000 C 0 0 -6.4915 3.7571 0.0000 C 0 0 2.5954 11.7173 0.0000 C 0 0 -6.4915 5.2571 0.0000 C 0 0 2 1 1 0 3 12 1 0 4 5 2 0 5 2 1 0 6 4 1 0 7 1 1 0 8 4 1 0 9 3 1 0 10 1 2 0 11 22 1 0 12 23 1 0 13 27 2 0 14 7 2 0 15 7 1 0 16 6 1 0 17 20 1 0 18 9 1 0 19 9 2 0 20 15 2 0 21 14 1 0 22 24 1 0 23 24 1 0 24 16 1 0 25 17 1 0 26 18 2 0 27 19 1 0 28 5 1 0 29 31 1 0 30 25 1 0 31 28 2 0 17 21 2 0 8 29 2 0 11 3 1 0 13 26 1 0 M END > 167466 > J. Med. Chem. 49(4)-2006 1231-1234 > fXa > 7.4089 $$$$ SciTegic07090714202D 31 33 0 0 0 0 999 V2000 -5.1747 7.5168 0.0000 S 0 0 1.2990 -0.7500 0.0000 N 0 0 2.5973 -1.5031 0.0000 C 0 0 -6.4702 8.2744 0.0000 C 0 0 -9.0477 14.2882 0.0000 C 0 0 -5.1820 6.0160 0.0000 N 0 0 -9.0498 12.7873 0.0000 C 0 0 -4.1323 8.1114 0.0000 O 0 0 -4.1385 6.9116 0.0000 O 0 0 -6.4629 9.7752 0.0000 C 0 0 2.5956 -2.7031 0.0000 N 0 0 -10.0857 14.8903 0.0000 N 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -3.8864 5.2585 0.0000 C 0 0 -3.8915 3.7585 0.0000 C 0 0 -7.7534 12.0328 0.0000 C 0 0 -2.5951 3.0039 0.0000 C 0 0 -2.5973 1.5031 0.0000 O 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -7.7585 10.5328 0.0000 C 0 0 -8.0074 14.8864 0.0000 N 0 0 -1.2990 0.7500 0.0000 C 0 0 3.6375 -0.9049 0.0000 C 0 0 -10.3515 12.0418 0.0000 C 0 0 -10.3567 10.5419 0.0000 C 0 0 -1.2883 5.2495 0.0000 C 0 0 -2.5847 6.0040 0.0000 C 0 0 -1.2935 3.7495 0.0000 C 0 0 -9.0603 9.7873 0.0000 C 0 0 2 14 1 0 3 2 1 0 4 1 1 0 5 7 1 0 6 1 1 0 7 17 1 0 8 1 2 0 9 1 2 0 10 4 2 0 11 3 2 0 12 5 2 0 13 20 1 0 14 21 1 0 15 6 1 0 16 15 1 0 17 22 2 0 18 16 2 0 19 18 1 0 20 24 1 0 21 24 1 0 22 10 1 0 23 5 1 0 24 19 1 0 25 3 1 0 26 27 1 0 27 31 2 0 28 29 1 0 29 15 2 0 30 28 2 0 31 22 1 0 30 18 1 0 26 7 2 0 2 13 1 0 M END > 78235 > Bioorg. Med. Chem. 10(8)-2002 2597-2610 > fXa > 7.7077 $$$$ SciTegic07090714202D 31 34 0 0 1 0 999 V2000 -3.9106 1.4992 0.0000 S 0 0 -6.5074 3.0005 0.0000 C 0 0 -7.8048 3.7533 0.0000 N 0 0 -5.2109 0.7498 0.0000 N 0 0 -6.5106 1.5004 0.0000 C 0 0 1 0 0 0 -2.6111 0.7486 0.0000 C 0 0 -10.4109 9.7547 0.0000 C 0 0 -3.9101 2.6992 0.0000 O 0 0 -4.9495 2.0999 0.0000 O 0 0 -1.2964 1.4973 0.0000 C 0 0 -10.4059 8.2538 0.0000 C 0 0 -7.8047 5.2541 0.0000 C 0 0 -11.4518 10.3518 0.0000 N 0 0 -5.4669 3.5983 0.0000 O 0 0 0.0000 0.7486 0.0000 C 0 0 -9.1059 7.5055 0.0000 C 0 0 -9.1039 6.0055 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -9.3735 10.3578 0.0000 N 0 0 -9.1055 3.0061 0.0000 C 0 0 -7.8113 0.7533 0.0000 C 0 0 -9.1087 1.5061 0.0000 C 0 0 -11.7040 7.5021 0.0000 C 0 0 -11.7020 6.0022 0.0000 C 0 0 -10.4020 5.2538 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2 5 1 0 3 2 1 0 4 1 1 0 5 4 1 1 6 1 1 0 7 11 1 0 8 1 2 0 9 1 2 0 10 6 2 0 11 16 1 0 12 3 1 0 13 7 2 0 14 2 2 0 15 10 1 0 16 17 2 0 17 12 1 0 18 6 1 0 19 20 1 0 20 18 2 0 21 7 1 0 22 24 1 0 23 5 1 0 24 23 1 0 25 26 1 0 26 27 2 0 27 17 1 0 28 15 2 0 29 19 2 0 30 28 1 0 31 29 1 0 19 15 1 0 3 22 1 0 30 31 2 0 11 25 2 0 M END > 53309 > J. Med. Chem. 42(18)-1999 3557-3571 > fXa > 8.8861 $$$$ SciTegic07090714202D 31 34 0 0 1 0 999 V2000 -3.9106 1.4992 0.0000 S 0 0 -8.1118 3.2966 0.0000 N 0 0 -6.6452 2.9816 0.0000 C 0 0 -6.5106 1.5004 0.0000 C 0 0 1 0 0 0 -5.2109 0.7498 0.0000 N 0 0 -12.4103 5.8054 0.0000 C 0 0 -10.9435 6.1192 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -10.2135 4.8234 0.0000 C 0 0 -13.5271 6.8041 0.0000 C 0 0 -12.5651 4.3134 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -8.7210 4.6654 0.0000 C 0 0 -7.8633 0.8823 0.0000 C 0 0 -11.1940 3.7051 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -3.9101 2.6992 0.0000 O 0 0 -4.9495 2.0999 0.0000 O 0 0 -8.8646 1.9992 0.0000 C 0 0 -14.6673 6.4302 0.0000 N 0 0 -5.7469 3.7773 0.0000 O 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -13.2812 7.9787 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 3.8942 1.4964 0.0000 O 0 0 4.9326 0.8949 0.0000 C 0 0 2 3 1 0 3 4 1 0 4 5 1 1 5 1 1 0 6 7 1 0 7 9 1 0 8 1 1 0 9 13 1 0 10 6 1 0 11 15 1 0 12 16 1 0 13 2 1 0 14 4 1 0 15 9 2 0 16 8 2 0 17 1 2 0 18 1 2 0 19 14 1 0 20 10 2 0 21 3 2 0 22 25 1 0 23 12 2 0 24 8 1 0 25 24 2 0 26 10 1 0 27 22 2 0 28 23 1 0 29 27 1 0 30 28 1 0 31 30 1 0 22 12 1 0 2 19 1 0 28 29 2 0 6 11 2 0 M END > 53347 > J. Med. Chem. 42(18)-1999 3557-3571 > fXa > 9.2441 $$$$ SciTegic07090714202D 32 35 0 0 1 0 999 V2000 -5.1017 6.1218 0.0000 N 0 0 -6.5256 5.6559 0.0000 C 0 0 -3.8912 5.2578 0.0000 C 0 0 2 0 0 0 -7.6437 6.6570 0.0000 C 0 0 -3.8933 3.7570 0.0000 C 0 0 -9.0701 6.1901 0.0000 C 0 0 -2.5951 3.0039 0.0000 N 0 0 -6.7722 4.4815 0.0000 O 0 0 -4.9336 3.1588 0.0000 O 0 0 -10.1882 7.1912 0.0000 C 0 0 -9.3785 4.7214 0.0000 C 0 0 -4.6332 7.5468 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 2.3383 -1.3500 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -2.6747 6.1134 0.0000 C 0 0 -3.1333 7.5416 0.0000 C 0 0 -11.6145 6.7267 0.0000 C 0 0 -9.8775 8.6588 0.0000 C 0 0 -10.8033 4.2523 0.0000 C 0 0 -8.2599 3.7219 0.0000 C 0 0 -10.9930 9.6616 0.0000 C 0 0 -11.1095 2.7838 0.0000 C 0 0 -8.5662 2.2535 0.0000 C 0 0 -12.7300 7.7295 0.0000 C 0 0 -12.4193 9.1970 0.0000 C 0 0 -9.9910 1.7844 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 2 1 0 3 5 1 1 6 4 1 0 7 5 1 0 8 2 2 0 9 5 2 0 10 6 1 0 11 6 1 0 12 1 1 0 13 7 1 0 14 15 1 0 15 18 1 0 16 13 1 0 17 19 1 0 18 20 1 0 19 16 1 0 20 16 1 0 21 3 1 0 22 12 1 0 23 10 2 0 24 10 1 0 25 11 2 0 26 11 1 0 27 24 2 0 28 25 1 0 29 26 2 0 30 23 1 0 31 27 1 0 32 29 1 0 22 21 1 0 17 15 1 0 32 28 2 0 31 30 2 0 M END > 39624 > J. Med. Chem. 40(22)-1997 3687-3693 > fXa > 3.0088 $$$$ SciTegic07090714202D 32 35 0 0 0 0 999 V2000 2.5988 -1.5004 0.0000 S 0 0 9.0946 3.7540 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 7.7945 3.0042 0.0000 C 0 0 11.4489 4.2515 0.0000 N 0 0 10.4470 3.1351 0.0000 O 0 0 1.2990 0.7500 0.0000 C 0 0 6.4946 3.7544 0.0000 N 0 0 9.2301 5.2351 0.0000 C 0 0 10.6968 5.5493 0.0000 C 0 0 3.6384 -0.9011 0.0000 O 0 0 2.5984 -2.7004 0.0000 O 0 0 11.3069 6.9177 0.0000 C 0 0 2.5987 1.5004 0.0000 C 0 0 12.7995 7.0748 0.0000 C 0 0 3.6377 -2.1009 0.0000 N 0 0 7.7943 1.8042 0.0000 O 0 0 5.1945 3.0046 0.0000 C 0 0 3.8991 0.7525 0.0000 C 0 0 2.5964 3.0004 0.0000 C 0 0 13.4106 8.4456 0.0000 C 0 0 3.8943 3.7525 0.0000 C 0 0 5.1969 1.5046 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 14.9021 8.6048 0.0000 C 0 0 12.5270 9.6578 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 13.1350 11.0291 0.0000 C 0 0 15.5101 9.9760 0.0000 C 0 0 14.6266 11.1882 0.0000 C 0 0 2 4 1 0 3 1 1 0 4 8 1 0 5 6 1 0 6 2 1 0 7 3 1 0 8 18 1 0 9 2 1 0 10 9 1 0 11 1 2 0 12 1 2 0 13 10 1 0 14 7 1 0 15 13 2 0 16 1 1 0 17 4 2 0 18 22 2 0 19 14 1 0 20 14 2 0 21 15 1 0 22 20 1 0 23 19 2 0 24 3 2 0 25 7 2 0 26 21 2 0 27 21 1 0 28 24 1 0 29 28 2 0 30 27 2 0 31 26 1 0 32 30 1 0 29 25 1 0 18 23 1 0 5 10 2 0 32 31 2 0 M END > 104120 > Bioorg. Med. Chem. Lett. 13(10)-2003 1795-1799 > fXa > 5.6383 $$$$ SciTegic07090714202D 32 35 0 0 0 0 999 V2000 1.7138 1.2033 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 2.1812 2.6271 0.0000 C 0 0 6.0765 -6.0761 0.0000 C 0 0 2.1855 -2.6254 0.0000 C 0 0 3.6500 2.9355 0.0000 N 0 0 5.5991 -4.6533 0.0000 C 0 0 7.2525 -6.3151 0.0000 N 0 0 8.5244 5.2803 0.0000 C 0 0 4.1295 -4.3524 0.0000 C 0 0 9.9932 5.5888 0.0000 N 0 0 1.3808 3.5211 0.0000 O 0 0 3.6552 -2.9294 0.0000 C 0 0 7.5257 6.3996 0.0000 C 0 0 8.0544 3.8558 0.0000 C 0 0 5.2818 -6.9753 0.0000 N 0 0 4.1182 4.3614 0.0000 C 0 0 5.5870 4.6698 0.0000 C 0 0 6.0571 6.0943 0.0000 C 0 0 6.5858 3.5506 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 6.5944 -3.5310 0.0000 C 0 0 6.1201 -2.1080 0.0000 C 0 0 4.6506 -1.8071 0.0000 C 0 0 10.3675 6.7289 0.0000 C 0 0 10.7936 4.6948 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 2 3 1 0 3 1 2 0 4 1 1 0 5 4 1 0 6 1 1 0 7 10 1 0 8 2 1 0 9 6 1 0 10 13 2 0 11 7 2 0 12 18 2 0 13 16 1 0 14 12 1 0 15 6 2 0 16 8 1 0 17 22 2 0 18 23 1 0 19 7 1 0 20 9 1 0 21 20 1 0 22 21 1 0 23 21 2 0 24 4 2 0 25 5 2 0 26 27 2 0 27 28 1 0 28 16 2 0 29 14 1 0 30 14 1 0 31 24 1 0 32 31 2 0 2 5 1 0 32 25 1 0 12 17 1 0 10 26 1 0 M END > 95191 > J. Med. Chem. 45(13)-2002 2749-2769 > fXa > 5.6596 $$$$ SciTegic07090714202D 32 35 0 0 0 0 999 V2000 -1.2964 1.4973 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 3.8936 -2.9999 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 3.8926 -1.4991 0.0000 C 0 0 5.1933 -3.7503 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 -3.8935 -7.5036 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 -3.9091 -1.5019 0.0000 C 0 0 -3.6486 1.3517 0.0000 O 0 0 -3.8958 -6.0028 0.0000 C 0 0 -4.9314 -8.1059 0.0000 N 0 0 2.8545 -3.6002 0.0000 O 0 0 2.5929 0.7486 0.0000 C 0 0 -5.1976 -5.2575 0.0000 C 0 0 -2.5995 -5.2481 0.0000 C 0 0 -2.8531 -8.1017 0.0000 N 0 0 -3.9067 -3.0027 0.0000 C 0 0 -1.2928 2.6973 0.0000 C 0 0 -5.2030 -3.7575 0.0000 C 0 0 -2.6050 -3.7481 0.0000 C 0 0 4.9322 -2.0986 0.0000 C 0 0 4.9317 -0.8987 0.0000 C 0 0 5.3343 -5.2309 0.0000 C 0 0 6.5435 -3.1265 0.0000 C 0 0 7.5494 -4.2391 0.0000 C 0 0 6.8021 -5.5397 0.0000 C 0 0 2 1 1 0 3 5 1 0 4 2 1 0 5 7 1 0 6 8 1 0 7 1 1 0 8 10 1 0 9 6 1 0 10 19 2 0 11 5 2 0 12 16 1 0 13 7 2 0 14 4 1 0 15 2 2 0 16 21 2 0 17 12 2 0 18 6 2 0 19 13 1 0 20 25 2 0 21 26 1 0 22 12 1 0 23 14 1 0 24 1 1 0 25 23 1 0 26 23 2 0 27 8 1 0 28 8 1 0 29 9 1 0 30 9 1 0 31 30 1 0 32 29 1 0 4 3 2 0 10 11 1 0 16 20 1 0 31 32 1 0 M END > 117894 > Bioorg. Med. Chem. Lett. 13(14)-2003 2297-2302 > fXa > 6.3010 $$$$ SciTegic07090714202D 32 35 0 0 1 0 999 V2000 -2.6469 8.1204 0.0000 S 0 0 -1.3039 3.7494 0.0000 N 0 0 -1.4470 5.2297 0.0000 C 0 0 -2.9153 5.5365 0.0000 C 0 0 1 0 0 0 -3.5266 6.9044 0.0000 N 0 0 2.5973 -1.5031 0.0000 C 0 0 -3.2593 9.4906 0.0000 C 0 0 -3.6607 4.2349 0.0000 C 0 0 -1.4532 7.9970 0.0000 O 0 0 -2.1567 7.0250 0.0000 O 0 0 -0.0031 3.0008 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 -2.6532 3.1236 0.0000 C 0 0 2.5956 -2.7031 0.0000 N 0 0 -0.5532 6.0305 0.0000 O 0 0 -4.4833 12.2295 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -4.7513 9.6453 0.0000 C 0 0 -2.3793 10.7053 0.0000 C 0 0 -5.3633 11.0147 0.0000 C 0 0 -2.9913 12.0748 0.0000 C 0 0 -5.0956 13.5996 0.0000 C 0 0 3.6375 -0.9049 0.0000 N 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -6.5874 13.7568 0.0000 C 0 0 -4.2138 14.8131 0.0000 C 0 0 -4.8236 16.1835 0.0000 C 0 0 -7.1973 15.1272 0.0000 C 0 0 -6.3154 16.3406 0.0000 C 0 0 2 3 1 0 3 4 1 0 4 5 1 6 5 1 1 0 6 12 1 0 7 1 1 0 8 4 1 0 9 1 2 0 10 1 2 0 11 2 1 0 12 17 1 0 13 8 1 0 14 6 2 0 15 3 2 0 16 22 2 0 17 18 2 0 18 11 1 0 19 7 1 0 20 7 2 0 21 19 2 0 22 20 1 0 23 16 1 0 24 6 1 0 25 26 1 0 26 27 2 0 27 18 1 0 28 23 2 0 29 23 1 0 30 29 2 0 31 28 1 0 32 30 1 0 21 16 1 0 2 13 1 0 31 32 2 0 12 25 2 0 M END > 53360 > J. Med. Chem. 42(18)-1999 3572-3587 > fXa > 6.7959 $$$$ SciTegic07090714202D 32 35 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.6160 -7.4957 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 2.5951 3.0039 0.0000 C 0 0 -1.4068 -8.3616 0.0000 N 0 0 -0.0126 5.9981 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 2.5972 1.5031 0.0000 O 0 0 1.2883 5.2495 0.0000 C 0 0 1.2934 3.7495 0.0000 C 0 0 -2.6108 -5.9949 0.0000 C 0 0 -3.8338 -8.3494 0.0000 N 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -0.0150 7.1981 0.0000 N 0 0 -0.0031 -3.0008 0.0000 O 0 0 3.8915 3.7585 0.0000 C 0 0 -1.3092 -5.2494 0.0000 C 0 0 -2.5956 2.7031 0.0000 O 0 0 -1.3039 -3.7494 0.0000 C 0 0 2.5847 6.0040 0.0000 C 0 0 3.8863 5.2585 0.0000 C 0 0 -1.0508 5.3963 0.0000 N 0 0 -3.6375 0.9049 0.0000 O 0 0 4.9328 3.1621 0.0000 O 0 0 -1.8775 -9.7859 0.0000 C 0 0 -3.9072 -5.2404 0.0000 C 0 0 -3.3775 -9.7783 0.0000 C 0 0 -3.9020 -3.7404 0.0000 C 0 0 -2.6004 -2.9949 0.0000 C 0 0 2 1 1 0 3 1 2 0 4 13 1 0 5 16 2 0 6 10 1 0 7 4 2 0 8 11 1 0 9 5 1 0 10 2 1 0 11 12 2 0 12 6 1 0 13 20 1 0 14 4 1 0 15 2 2 0 16 3 1 0 17 8 2 0 18 3 1 0 19 6 2 0 20 22 2 0 21 9 2 0 22 18 1 0 23 24 2 0 24 19 1 0 25 8 1 0 26 9 1 0 27 19 1 0 28 7 1 0 29 31 1 0 30 14 1 0 31 32 2 0 32 22 1 0 15 5 1 0 13 29 2 0 11 23 1 0 30 28 1 0 M END > 46393 > J. Med. Chem. 41(19)-1998 3557-3562 > fXa > 7.0706 $$$$ SciTegic07090714202D 32 36 0 0 0 0 999 V2000 3.8944 -1.4969 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 5.1930 -0.7445 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 3.1463 -2.6640 0.0000 C 0 0 4.6463 -2.6615 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 6.4943 -1.4922 0.0000 N 0 0 1.2964 -1.4973 0.0000 C 0 0 -3.8935 -7.5036 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 -3.9091 -1.5019 0.0000 C 0 0 -3.6486 1.3517 0.0000 O 0 0 -3.8958 -6.0028 0.0000 C 0 0 -4.9314 -8.1059 0.0000 N 0 0 5.1908 0.4555 0.0000 O 0 0 2.5929 0.7486 0.0000 C 0 0 -5.1976 -5.2575 0.0000 C 0 0 -2.5995 -5.2481 0.0000 C 0 0 -2.8531 -8.1017 0.0000 N 0 0 -3.9067 -3.0027 0.0000 C 0 0 -1.2928 2.6973 0.0000 C 0 0 -5.2030 -3.7575 0.0000 C 0 0 -2.6050 -3.7481 0.0000 C 0 0 7.8457 -0.8710 0.0000 C 0 0 6.6323 -2.9730 0.0000 C 0 0 8.0996 -3.2848 0.0000 C 0 0 8.8495 -1.9857 0.0000 C 0 0 2 8 1 0 3 2 1 0 4 7 1 0 5 4 2 0 6 1 1 0 7 13 2 0 8 15 2 0 9 1 1 0 10 1 1 0 11 1 1 0 12 6 1 0 13 11 1 0 14 18 1 0 15 21 1 0 16 5 1 0 17 3 2 0 18 23 2 0 19 14 2 0 20 6 2 0 21 11 2 0 22 27 2 0 23 28 1 0 24 14 1 0 25 16 1 0 26 2 1 0 27 25 1 0 28 25 2 0 29 12 1 0 30 12 1 0 31 30 1 0 32 29 1 0 9 10 1 0 8 7 1 0 32 31 1 0 3 5 1 0 18 22 1 0 M END > 117895 > Bioorg. Med. Chem. Lett. 13(14)-2003 2297-2302 > fXa > 7.0757 $$$$ SciTegic07090714202D 32 35 0 0 0 0 999 V2000 3.8776 -7.5072 0.0000 S 0 0 5.1765 -8.2591 0.0000 C 0 0 6.4764 -7.5106 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 5.1917 -0.7567 0.0000 C 0 0 3.8783 -6.3072 0.0000 O 0 0 2.8379 -8.1063 0.0000 O 0 0 5.1929 0.7441 0.0000 C 0 0 -2.6111 0.7486 0.0000 N 0 0 6.4807 -6.0099 0.0000 C 0 0 3.8942 1.4964 0.0000 C 0 0 6.4904 -1.5090 0.0000 N 0 0 2.8388 -6.9064 0.0000 N 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 4.1518 -1.3555 0.0000 O 0 0 2.5929 0.7486 0.0000 C 0 0 5.1838 -5.2562 0.0000 C 0 0 7.7818 -5.2635 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 -1.2928 2.6973 0.0000 N 0 0 6.4892 -3.0098 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 5.1880 -3.7562 0.0000 C 0 0 7.7861 -3.7635 0.0000 C 0 0 5.1746 -9.7591 0.0000 C 0 0 7.7745 -8.2623 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 6.4727 -10.5107 0.0000 C 0 0 7.7727 -9.7623 0.0000 C 0 0 2 1 1 0 3 2 2 0 4 15 1 0 5 4 2 0 6 13 1 0 7 1 2 0 8 1 2 0 9 6 1 0 10 5 1 0 11 3 1 0 12 9 2 0 13 23 1 0 14 1 1 0 15 18 2 0 16 21 1 0 17 6 2 0 18 12 1 0 19 11 1 0 20 11 2 0 21 24 2 0 22 5 1 0 23 27 2 0 24 18 1 0 25 30 1 0 26 19 2 0 27 20 1 0 28 2 1 0 29 3 1 0 30 16 2 0 31 28 2 0 32 31 1 0 29 32 2 0 23 26 1 0 4 16 1 0 25 10 2 0 M END > 4628 > Bioorg. Med. Chem. Lett. 12(15)-2002 2043-2046 > fXa > 7.1079 $$$$ SciTegic07090714202D 32 35 0 0 1 0 999 V2000 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 O 0 0 0.0000 0.7486 0.0000 C 0 0 -5.1681 8.2686 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 -3.9086 -1.5029 0.0000 C 0 0 -5.2134 -5.2527 0.0000 C 0 0 -3.9097 -3.0028 0.0000 C 0 0 -5.2093 -3.7519 0.0000 C 0 0 -3.6486 1.3517 0.0000 O 0 0 -6.2539 -5.8505 0.0000 N 0 0 -5.3023 9.7498 0.0000 C 0 0 1 0 0 0 -6.5210 7.6509 0.0000 C 0 0 2 0 0 0 -7.5219 8.7681 0.0000 C 0 0 -6.7687 10.0653 0.0000 C 0 0 -4.1756 -5.8552 0.0000 N 0 0 -1.2907 2.9981 0.0000 C 0 0 -3.8717 7.5123 0.0000 C 0 0 -5.2071 -0.7519 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 -6.5078 -3.0010 0.0000 C 0 0 -6.5067 -1.5010 0.0000 C 0 0 -4.4038 10.5452 0.0000 C 0 0 -6.7664 6.4763 0.0000 C 0 0 -2.5870 3.7544 0.0000 C 0 0 -3.8775 6.0115 0.0000 C 0 0 -2.5812 5.2552 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 3 1 0 5 2 1 0 6 20 1 0 7 4 1 0 8 3 1 0 9 11 1 0 10 8 1 0 11 10 2 0 12 1 2 0 13 9 2 0 14 6 1 0 15 6 1 0 16 15 1 0 17 14 1 0 18 9 1 0 19 2 1 0 20 29 1 0 21 8 2 0 22 5 1 0 23 7 1 0 24 25 2 0 25 21 1 0 14 26 1 1 15 27 1 1 28 19 1 0 29 30 1 0 30 28 1 0 31 22 2 0 32 23 2 0 7 5 2 0 24 11 1 0 32 31 1 0 17 16 1 0 M END > 74130 > J. Med. Chem. 43(22)-2000 4063-4070 > fXa > 7.3188 $$$$ SciTegic07090714202D 32 35 0 0 1 0 999 V2000 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 O 0 0 0.0000 0.7486 0.0000 C 0 0 -3.8717 7.5123 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 -3.9086 -1.5029 0.0000 C 0 0 -5.2134 -5.2527 0.0000 C 0 0 -3.9097 -3.0028 0.0000 C 0 0 -5.2093 -3.7519 0.0000 C 0 0 -3.6486 1.3517 0.0000 O 0 0 -6.2539 -5.8505 0.0000 N 0 0 -5.1663 8.2701 0.0000 C 0 0 2 0 0 0 -2.5682 8.2547 0.0000 C 0 0 1 0 0 0 -4.1756 -5.8552 0.0000 N 0 0 -1.2907 2.9981 0.0000 C 0 0 -3.8775 6.0115 0.0000 C 0 0 -5.2071 -0.7519 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 -6.5078 -3.0010 0.0000 C 0 0 -6.5067 -1.5010 0.0000 C 0 0 -3.8539 10.5124 0.0000 C 0 0 -2.5594 9.7547 0.0000 C 0 0 -5.1574 9.7701 0.0000 C 0 0 -6.2091 7.6763 0.0000 C 0 0 -1.5326 7.6486 0.0000 C 0 0 -2.5870 3.7544 0.0000 C 0 0 -2.5812 5.2552 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 3 1 0 5 2 1 0 6 18 1 0 7 4 1 0 8 3 1 0 9 11 1 0 10 8 1 0 11 10 2 0 12 1 2 0 13 9 2 0 14 6 1 0 15 6 1 0 16 9 1 0 17 2 1 0 18 30 1 0 19 8 2 0 20 5 1 0 21 7 1 0 22 23 2 0 23 19 1 0 24 25 1 0 25 15 1 0 26 14 1 0 14 27 1 1 15 28 1 1 29 17 1 0 30 29 1 0 31 20 2 0 32 21 2 0 7 5 2 0 11 22 1 0 31 32 1 0 24 26 1 0 M END > 74129 > J. Med. Chem. 43(22)-2000 4063-4070 > fXa > 7.9208 $$$$ SciTegic07090714202D 32 36 0 0 0 0 999 V2000 -4.9669 0.8708 0.0000 C 0 0 -3.6168 1.4950 0.0000 N 0 0 -3.7582 2.9755 0.0000 N 0 0 -5.2262 3.2840 0.0000 N 0 0 -5.9732 1.9832 0.0000 N 0 0 -5.2669 -0.5970 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 2.5889 0.0182 0.0000 N 0 0 1.7138 1.2033 0.0000 C 0 0 -7.8856 -6.9545 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -6.6902 -1.0730 0.0000 N 0 0 1.7138 -1.2033 0.0000 O 0 0 -9.3090 -7.4304 0.0000 N 0 0 -7.5852 -5.4840 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 -6.9906 -2.5435 0.0000 C 0 0 -8.4125 -3.0212 0.0000 C 0 0 -8.7098 -4.4915 0.0000 C 0 0 -4.3685 -1.3926 0.0000 O 0 0 -6.9873 -7.7501 0.0000 O 0 0 -2.3155 -0.7475 0.0000 C 0 0 -6.1632 -5.0064 0.0000 C 0 0 -5.8660 -3.5361 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 2.0825 2.3453 0.0000 N 0 0 -9.3123 -2.2272 0.0000 F 0 0 -9.7425 -8.8531 0.0000 C 0 0 -10.5074 -6.5497 0.0000 C 0 0 -11.7152 -7.4392 0.0000 C 0 0 -11.2425 -8.8628 0.0000 C 0 0 2 1 1 0 3 2 1 0 4 5 1 0 5 1 2 0 6 1 1 0 7 12 1 0 8 9 2 0 9 7 1 0 10 16 1 0 11 2 1 0 12 11 2 0 13 6 1 0 14 17 1 0 15 10 1 0 16 24 2 0 17 26 1 0 18 13 1 0 19 18 1 0 20 19 2 0 21 6 2 0 22 10 2 0 23 11 1 0 24 25 1 0 25 18 2 0 26 23 2 0 27 9 1 0 28 19 1 0 29 15 1 0 30 15 1 0 31 30 1 0 32 29 1 0 3 4 2 0 16 20 1 0 7 17 2 0 14 8 1 0 32 31 1 0 M END > 100446 > Bioorg. Med. Chem. Lett. 13(3)-2003 369-373 > fXa > 8.5376 $$$$ SciTegic07090714202D 32 35 0 0 1 0 999 V2000 2.5988 -1.5004 0.0000 S 0 0 6.2556 -4.2405 0.0000 N 0 0 5.2496 -3.1278 0.0000 C 0 0 3.8995 -3.7516 0.0000 C 0 0 1 0 0 0 2.5997 -3.0012 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 12.4937 -6.2061 0.0000 C 0 0 4.0404 -5.2322 0.0000 C 0 0 3.6378 -0.9001 0.0000 O 0 0 3.6383 -2.0999 0.0000 O 0 0 1.2990 0.7500 0.0000 C 0 0 7.7457 -4.0839 0.0000 C 0 0 11.0006 -6.3578 0.0000 C 0 0 5.5083 -5.5411 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 13.1963 -7.1789 0.0000 N 0 0 5.4897 -1.9521 0.0000 O 0 0 10.1206 -5.1430 0.0000 C 0 0 8.6286 -5.2976 0.0000 C 0 0 0.0000 3.0008 0.0000 C 0 0 12.9853 -5.1114 0.0000 N 0 0 0.0000 -1.5000 0.0000 C 0 0 10.3885 -7.7272 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 8.8965 -7.8819 0.0000 C 0 0 8.0165 -6.6671 0.0000 C 0 0 1.2978 3.7529 0.0000 C 0 0 -1.3002 3.7488 0.0000 C 0 0 -1.3026 5.2488 0.0000 C 0 0 1.2954 5.2529 0.0000 C 0 0 -0.0048 6.0009 0.0000 C 0 0 2 3 1 0 3 4 1 0 4 5 1 6 5 1 1 0 6 1 1 0 7 13 1 0 8 4 1 0 9 1 2 0 10 1 2 0 11 6 2 0 12 2 1 0 13 18 1 0 14 8 1 0 15 11 1 0 16 7 2 0 17 3 2 0 18 19 2 0 19 12 1 0 20 15 1 0 21 7 1 0 22 6 1 0 23 26 1 0 24 25 1 0 25 22 2 0 26 27 2 0 27 19 1 0 28 20 2 0 29 20 1 0 30 29 2 0 31 28 1 0 32 30 1 0 24 15 2 0 2 14 1 0 32 31 2 0 13 23 2 0 M END > 53322 > J. Med. Chem. 42(18)-1999 3557-3571 > fXa > 9.3565 $$$$ SciTegic07090714202D 33 36 0 0 0 0 999 V2000 -1.2964 1.4973 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 3.8936 -2.9999 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 3.8926 -1.4991 0.0000 C 0 0 5.1933 -3.7503 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 -3.8935 -7.5036 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 -3.9091 -1.5019 0.0000 C 0 0 -3.6486 1.3517 0.0000 O 0 0 -3.8958 -6.0028 0.0000 C 0 0 -4.9314 -8.1059 0.0000 N 0 0 2.8545 -3.6002 0.0000 O 0 0 2.5929 0.7486 0.0000 C 0 0 7.7946 -5.2450 0.0000 N 0 0 -5.1976 -5.2575 0.0000 C 0 0 -2.5995 -5.2481 0.0000 C 0 0 -2.8531 -8.1017 0.0000 N 0 0 -3.9067 -3.0027 0.0000 C 0 0 -1.2928 2.6973 0.0000 C 0 0 -5.2030 -3.7575 0.0000 C 0 0 -2.6050 -3.7481 0.0000 C 0 0 4.9322 -2.0986 0.0000 C 0 0 4.9317 -0.8987 0.0000 C 0 0 5.1965 -5.2503 0.0000 C 0 0 6.4909 -2.9977 0.0000 C 0 0 7.7915 -3.7450 0.0000 C 0 0 6.4971 -5.9977 0.0000 C 0 0 2 1 1 0 3 5 1 0 4 2 1 0 5 7 1 0 6 8 1 0 7 1 1 0 8 10 1 0 9 6 1 0 10 19 2 0 11 5 2 0 12 16 1 0 13 7 2 0 14 4 1 0 15 2 2 0 16 22 1 0 17 12 2 0 18 6 2 0 19 13 1 0 20 32 1 0 21 26 1 0 22 27 2 0 23 12 1 0 24 14 1 0 25 1 1 0 26 24 2 0 27 24 1 0 28 8 1 0 29 8 1 0 30 9 1 0 31 9 1 0 32 31 1 0 33 30 1 0 3 4 2 0 10 11 1 0 16 21 2 0 20 33 1 0 M END > 117898 > Bioorg. Med. Chem. Lett. 13(14)-2003 2297-2302 > fXa > 4.5086 $$$$ SciTegic07090714202D 33 36 0 0 0 0 999 V2000 3.8808 -8.2579 0.0000 N 0 0 2.5973 -1.5031 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 2.5951 -3.0039 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 3.8756 -9.7586 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 2.5844 -7.5034 0.0000 C 0 0 5.1824 -7.5124 0.0000 C 0 0 3.6375 -0.9049 0.0000 O 0 0 3.8700 -12.7587 0.0000 N 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 3.8933 -3.7570 0.0000 C 0 0 5.2111 7.4898 0.0000 C 0 0 0.0031 3.0008 0.0000 O 0 0 -2.3383 1.3500 0.0000 F 0 0 2.5752 -10.5063 0.0000 C 0 0 5.1733 -10.5112 0.0000 C 0 0 6.2524 8.0863 0.0000 N 0 0 5.1876 -6.0124 0.0000 C 0 0 2.5895 -6.0034 0.0000 C 0 0 2.6078 5.9988 0.0000 C 0 0 3.8912 -5.2578 0.0000 C 0 0 3.9147 8.2443 0.0000 C 0 0 5.2059 5.9898 0.0000 C 0 0 2.6131 7.4988 0.0000 C 0 0 3.9043 5.2443 0.0000 C 0 0 1.3039 3.7494 0.0000 C 0 0 2.5724 -12.0063 0.0000 C 0 0 5.1705 -12.0112 0.0000 C 0 0 1.3070 5.2502 0.0000 C 0 0 2 4 1 0 3 2 1 0 4 15 1 0 5 3 2 0 6 5 1 0 7 1 1 0 8 14 1 0 9 1 1 0 10 1 1 0 11 2 2 0 12 32 2 0 13 3 1 0 14 13 2 0 15 25 1 0 16 27 2 0 17 6 1 0 18 8 1 0 19 7 1 0 20 7 2 0 21 16 1 0 22 10 1 0 23 9 1 0 24 33 1 0 25 22 1 0 26 28 2 0 27 29 1 0 28 24 1 0 29 24 2 0 30 17 1 0 31 19 2 0 32 20 1 0 33 30 1 0 23 25 1 0 31 12 1 0 6 8 2 0 26 16 1 0 M END > 151439 > J. Med. Chem. 48(9)-2005 3290-3312 > fXa > 5.8085 $$$$ SciTegic07090714202D 33 35 0 0 1 0 999 V2000 -1.3039 3.7494 0.0000 C 0 0 2 0 0 0 -2.6109 7.4996 0.0000 C 0 0 -2.6078 5.9988 0.0000 N 0 0 -1.3070 5.2502 0.0000 C 0 0 2 0 0 0 -2.6008 2.9940 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 -0.0070 6.0002 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 -0.0031 3.0008 0.0000 C 0 0 1.2930 5.2502 0.0000 C 0 0 2.5956 -2.7031 0.0000 N 0 0 -1.5728 8.1014 0.0000 O 0 0 1.2990 0.7500 0.0000 C 0 0 -3.9118 8.2481 0.0000 C 0 0 -3.6421 3.5904 0.0000 O 0 0 0.0000 1.5000 0.0000 C 0 0 3.6375 -0.9049 0.0000 N 0 0 -2.5961 1.4932 0.0000 O 0 0 2.5930 6.0002 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -3.9171 9.7482 0.0000 C 0 0 -5.2083 7.4937 0.0000 C 0 0 -3.6330 0.8893 0.0000 C 0 0 3.8934 5.2525 0.0000 C 0 0 2.5904 7.5003 0.0000 C 0 0 -6.5099 8.2392 0.0000 C 0 0 -5.2187 10.4937 0.0000 C 0 0 3.8882 8.2525 0.0000 C 0 0 5.1911 6.0048 0.0000 C 0 0 5.1885 7.5048 0.0000 C 0 0 -6.5151 9.7392 0.0000 C 0 0 2 3 1 0 4 3 1 6 4 1 1 0 1 5 1 1 6 8 1 0 7 4 1 0 8 13 1 0 9 1 1 0 10 7 2 0 11 6 2 0 12 2 2 0 13 16 2 0 14 2 1 0 15 5 2 0 16 9 1 0 17 6 1 0 18 5 1 0 19 10 1 0 20 21 1 0 21 22 2 0 22 16 1 0 23 14 2 0 24 14 1 0 25 18 1 0 26 19 2 0 27 19 1 0 28 24 2 0 29 23 1 0 30 27 2 0 31 26 1 0 32 30 1 0 33 28 1 0 8 20 2 0 31 32 2 0 29 33 2 0 M END > 41746 > J. Med. Chem. 41(4)-1998 437-450 > fXa > 6.1549 $$$$ SciTegic07090714202D 33 36 0 0 0 0 999 V2000 1.7138 1.2033 0.0000 N 0 0 1.7138 -1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 -7.4980 -0.8010 0.0000 N 0 0 -8.7916 -1.5619 0.0000 C 0 0 10.0062 -5.5637 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 8.5365 -5.2597 0.0000 C 0 0 -9.8361 -0.9710 0.0000 N 0 0 10.3840 -6.7027 0.0000 N 0 0 -2.3155 0.7475 0.0000 C 0 0 -6.1914 -1.5377 0.0000 C 0 0 -7.5133 0.6990 0.0000 C 0 0 3.6552 -2.9294 0.0000 C 0 0 4.1277 -4.3539 0.0000 C 0 0 -3.6217 1.4865 0.0000 O 0 0 2.1855 -2.6254 0.0000 C 0 0 -6.2219 1.4621 0.0000 C 0 0 -4.9001 -0.7745 0.0000 C 0 0 8.0623 -3.8366 0.0000 C 0 0 7.5412 -6.3819 0.0000 C 0 0 10.8040 -4.6673 0.0000 N 0 0 -4.9153 0.7255 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 5.5974 -4.6579 0.0000 C 0 0 4.0872 0.0382 0.0000 C 0 0 6.0717 -6.0810 0.0000 C 0 0 6.5928 -3.5357 0.0000 C 0 0 -8.7815 -2.7619 0.0000 C 0 0 4.6738 1.0851 0.0000 C 0 0 2 3 1 0 3 1 2 0 4 1 1 0 5 4 1 0 6 15 1 0 7 6 1 0 8 11 1 0 9 4 2 0 10 5 2 0 11 23 2 0 12 7 2 0 13 8 2 0 14 9 1 0 15 22 1 0 16 21 1 0 17 20 1 0 18 17 2 0 19 14 1 0 20 2 1 0 21 26 1 0 22 26 1 0 23 31 1 0 24 30 2 0 25 8 1 0 26 19 1 0 27 14 2 0 28 18 1 0 29 3 1 0 30 28 1 0 31 28 2 0 32 7 1 0 33 29 1 0 2 5 1 0 27 10 1 0 6 16 1 0 11 24 1 0 M END > 2625 > Bioorg. Med. Chem. Lett. 12(9)-2002 1311-1314 > fXa > 7.1308 $$$$ SciTegic07090714202D 33 36 0 0 0 0 999 V2000 1.7138 1.2033 0.0000 N 0 0 1.7138 -1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 -7.4980 -0.8010 0.0000 N 0 0 -8.7916 -1.5619 0.0000 C 0 0 9.9932 5.5888 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 8.5244 5.2803 0.0000 C 0 0 -9.8361 -0.9710 0.0000 N 0 0 10.3675 6.7289 0.0000 N 0 0 -6.1914 -1.5377 0.0000 C 0 0 -7.5133 0.6990 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 3.6500 2.9355 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 4.1182 4.3614 0.0000 C 0 0 -3.6217 1.4865 0.0000 O 0 0 2.1812 2.6271 0.0000 C 0 0 -6.2219 1.4621 0.0000 C 0 0 -4.9001 -0.7745 0.0000 C 0 0 8.0544 3.8558 0.0000 C 0 0 7.5257 6.3996 0.0000 C 0 0 10.7936 4.6948 0.0000 N 0 0 -4.9153 0.7255 0.0000 C 0 0 5.5870 4.6698 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 4.0872 0.0320 0.0000 C 0 0 6.0571 6.0943 0.0000 C 0 0 6.5858 3.5506 0.0000 C 0 0 -8.7815 -2.7619 0.0000 C 0 0 4.6976 -1.0012 0.0000 C 0 0 2 3 2 0 3 1 1 0 4 1 1 0 5 4 1 0 6 13 1 0 7 6 1 0 8 10 1 0 9 4 2 0 10 23 2 0 11 7 2 0 12 8 2 0 13 22 1 0 14 21 1 0 15 9 1 0 16 20 1 0 17 5 2 0 18 16 2 0 19 15 1 0 20 1 1 0 21 26 1 0 22 26 1 0 23 31 1 0 24 30 2 0 25 8 1 0 26 19 1 0 27 18 1 0 28 15 2 0 29 3 1 0 30 27 1 0 31 27 2 0 32 7 1 0 33 29 1 0 5 2 1 0 28 17 1 0 10 24 1 0 6 14 1 0 M END > 2620 > Bioorg. Med. Chem. Lett. 12(9)-2002 1311-1314 > fXa > 7.1938 $$$$