SciTegic07110717442D 18 20 0 0 0 0 999 V2000 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 1.2990 0.7500 0.0000 C 0 0 2.7770 1.0106 0.0000 C 0 0 3.8362 -0.0335 0.0000 C 0 0 5.1595 0.6728 0.0000 N 0 0 4.8966 2.1496 0.0000 C 0 0 3.4109 2.3560 0.0000 N 0 0 3.6208 -1.5187 0.0000 C 0 0 4.8731 -2.3477 0.0000 C 0 0 4.7765 -3.8446 0.0000 C 0 0 3.4318 -4.5093 0.0000 N 0 0 2.1838 -3.6772 0.0000 C 0 0 2.2804 -2.1803 0.0000 C 0 0 -2.3383 -1.3500 0.0000 F 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 18 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 11 1 0 7 8 2 0 8 9 1 0 8 12 1 0 9 10 1 0 10 11 2 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 M END > ZINC00007301 > 1 $$$$ SciTegic07110717442D 20 21 0 0 0 0 999 V2000 4.8953 -10.1313 0.0000 C 0 0 5.5097 -8.7620 0.0000 C 0 0 2 0 0 0 7.0027 -8.6098 0.0000 C 0 0 6.4068 -10.0013 0.0000 C 0 0 4.6332 -7.5468 0.0000 C 0 0 5.1017 -6.1218 0.0000 C 0 0 3.8912 -5.2578 0.0000 C 0 0 2.6747 -6.1134 0.0000 N 0 0 3.1332 -7.5416 0.0000 O 0 0 3.8933 -3.7570 0.0000 N 0 0 2.5951 -3.0039 0.0000 C 0 0 1.5548 -3.6021 0.0000 O 0 0 2.5973 -1.5031 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.3383 1.3500 0.0000 F 0 0 1 2 1 0 2 3 1 0 2 4 1 0 2 5 1 1 5 9 1 0 5 6 2 0 6 7 1 0 7 8 2 0 7 10 1 0 8 9 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 17 20 1 0 18 19 1 0 M END > ZINC03833997 > 2 $$$$ SciTegic07110717442D 21 24 0 0 0 0 999 V2000 4.7992 0.2058 0.0000 C 0 0 6.1942 0.7573 0.0000 C 0 0 6.4140 2.2411 0.0000 C 0 0 5.2389 3.1734 0.0000 C 0 0 3.8440 2.6219 0.0000 C 0 0 3.6284 1.1358 0.0000 C 0 0 2.1291 1.2020 0.0000 C 0 0 1.2109 0.0348 0.0000 C 0 0 -0.2026 0.5708 0.0000 N 0 0 -0.1557 2.0550 0.0000 C 0 0 1.3029 2.4679 0.0000 N 0 0 -1.5433 2.6030 0.0000 C 0 0 -2.4753 1.3980 0.0000 C 0 0 -1.6353 0.1700 0.0000 C 0 0 1.6126 -1.4112 0.0000 C 0 0 3.0924 -1.6670 0.0000 C 0 0 3.6055 -3.0765 0.0000 C 0 0 2.6414 -4.2256 0.0000 N 0 0 1.1642 -3.9652 0.0000 C 0 0 0.6511 -2.5557 0.0000 C 0 0 7.5299 2.6823 0.0000 F 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 21 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 11 1 0 7 8 2 0 8 9 1 0 8 15 1 0 9 14 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 M END > ZINC03815711 > 3 $$$$ SciTegic07110717442D 21 23 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 2.7000 0.0000 Cl 0 0 -2.3383 1.3500 0.0000 Cl 0 0 -2.6003 -1.4978 0.0000 N 0 0 -3.8990 -0.7455 0.0000 C 0 0 -3.8969 0.4545 0.0000 O 0 0 -5.2003 -1.4932 0.0000 N 0 0 -6.4990 -0.7410 0.0000 C 0 0 -7.8525 -1.3573 0.0000 C 0 0 -8.8523 -0.2391 0.0000 C 0 0 -8.0978 1.0573 0.0000 N 0 0 -6.6317 0.7404 0.0000 O 0 0 -10.3429 -0.3905 0.0000 C 0 0 2 0 0 0 -9.7734 -1.7082 0.0000 C 0 0 -11.1762 -2.2394 0.0000 C 0 0 -11.7074 -0.8366 0.0000 C 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 9 1 0 4 5 2 0 4 8 1 0 5 6 1 0 5 7 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 17 1 0 13 14 2 0 14 15 1 0 15 16 2 0 18 15 1 6 16 17 1 0 18 21 1 0 18 19 1 0 19 20 1 0 20 21 1 0 M END > ZINC03834007 > 4 $$$$ SciTegic07110717442D 21 24 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.7770 1.0106 0.0000 C 0 0 3.8362 -0.0335 0.0000 C 0 0 5.1595 0.6728 0.0000 N 0 0 4.8966 2.1496 0.0000 C 0 0 3.4109 2.3560 0.0000 N 0 0 6.5072 0.0183 0.0000 C 0 0 2 0 0 0 7.0536 1.2924 0.0000 C 0 0 7.8932 0.0494 0.0000 C 0 0 3.6208 -1.5187 0.0000 C 0 0 4.8731 -2.3477 0.0000 C 0 0 4.7765 -3.8446 0.0000 C 0 0 3.4318 -4.5093 0.0000 N 0 0 2.1838 -3.6772 0.0000 C 0 0 2.2804 -2.1803 0.0000 C 0 0 -2.3383 -1.3500 0.0000 F 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 21 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 11 1 0 7 8 2 0 8 9 1 0 8 15 1 0 9 10 1 0 12 9 1 6 10 11 2 0 12 14 1 0 12 13 1 0 13 14 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 M END > ZINC03815718 > 5 $$$$ SciTegic07110717442D 22 25 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.7770 1.0106 0.0000 C 0 0 3.4109 2.3560 0.0000 C 0 0 4.8966 2.1496 0.0000 N 0 0 5.1595 0.6728 0.0000 C 0 0 3.8362 -0.0335 0.0000 N 0 0 6.5087 0.0205 0.0000 C 0 0 2 0 0 0 5.8458 -1.1970 0.0000 C 0 0 7.3418 -1.0875 0.0000 C 0 0 7.7503 0.8636 0.0000 O 0 0 2.6964 3.6758 0.0000 C 0 0 3.5858 4.8859 0.0000 C 0 0 2.9786 6.2575 0.0000 C 0 0 1.4872 6.4175 0.0000 N 0 0 0.6029 5.2059 0.0000 C 0 0 1.2100 3.8343 0.0000 C 0 0 -2.3383 -1.3500 0.0000 F 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 22 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 11 1 0 7 8 2 0 8 9 1 0 8 16 1 0 9 10 2 0 10 12 1 0 10 11 1 0 12 14 1 0 12 13 1 0 12 15 1 6 13 14 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 M END > ZINC03815694 > 6 $$$$ SciTegic07110717442D 22 25 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5987 1.5004 0.0000 C 0 0 -3.9492 0.8772 0.0000 C 0 0 -4.9546 1.9903 0.0000 C 0 0 -4.2067 3.2905 0.0000 C 0 0 -2.7390 2.9810 0.0000 N 0 0 -4.8193 4.6606 0.0000 C 0 0 -3.9602 5.8758 0.0000 C 0 0 -4.8755 7.0641 0.0000 C 0 0 -6.2886 6.5608 0.0000 O 0 0 -6.2465 5.0614 0.0000 C 0 0 -6.4469 1.8311 0.0000 C 0 0 -6.9460 0.4147 0.0000 C 0 0 -8.4213 0.1438 0.0000 C 0 0 -9.3937 1.2860 0.0000 N 0 0 -8.8906 2.6991 0.0000 C 0 0 -7.4153 2.9701 0.0000 C 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 11 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 17 1 0 10 11 1 0 10 12 1 0 12 16 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 M END > ZINC03832170 > 7 $$$$ SciTegic07110717442D 22 25 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.7770 1.0106 0.0000 C 0 0 3.8362 -0.0335 0.0000 C 0 0 5.1595 0.6728 0.0000 N 0 0 4.8966 2.1496 0.0000 C 0 0 3.4109 2.3560 0.0000 N 0 0 6.5071 0.0182 0.0000 C 0 0 7.7505 0.8586 0.0000 C 0 0 1 0 0 0 6.9198 1.9684 0.0000 C 0 0 8.4160 2.0747 0.0000 C 0 0 3.6208 -1.5187 0.0000 C 0 0 4.8731 -2.3477 0.0000 C 0 0 4.7765 -3.8446 0.0000 C 0 0 3.4318 -4.5093 0.0000 N 0 0 2.1838 -3.6772 0.0000 C 0 0 2.2804 -2.1803 0.0000 C 0 0 -2.3383 -1.3500 0.0000 F 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 22 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 11 1 0 7 8 2 0 8 9 1 0 8 16 1 0 9 10 1 0 9 12 1 0 10 11 2 0 13 12 1 1 13 15 1 0 13 14 1 0 14 15 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 M END > ZINC03815723 > 8 $$$$ SciTegic07110717442D 23 26 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5987 1.5004 0.0000 C 0 0 -3.9492 0.8772 0.0000 C 0 0 -4.9546 1.9903 0.0000 C 0 0 -4.2067 3.2905 0.0000 C 0 0 -2.7390 2.9810 0.0000 N 0 0 -4.8193 4.6606 0.0000 C 0 0 -6.3205 4.6976 0.0000 C 0 0 -7.0341 6.0170 0.0000 C 0 0 -6.2483 7.2947 0.0000 C 0 0 -4.7489 7.2530 0.0000 N 0 0 -4.0353 5.9336 0.0000 C 0 0 -6.3024 1.3303 0.0000 C 0 0 -6.2870 -0.1714 0.0000 C 0 0 -7.5807 -0.9306 0.0000 C 0 0 -8.8851 -0.1898 0.0000 N 0 0 -8.8957 1.3102 0.0000 C 0 0 -7.6020 2.0694 0.0000 C 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 11 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 18 1 0 10 11 1 0 10 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 M END > ZINC03832128 > 9 $$$$ SciTegic07110717442D 23 26 0 0 0 0 999 V2000 3.2964 5.4106 0.0000 C 0 0 1.8114 5.1995 0.0000 C 0 0 1.2517 3.8078 0.0000 C 0 0 2.1749 2.6315 0.0000 C 0 0 1 0 0 0 3.6621 2.8384 0.0000 C 0 0 4.2218 4.2301 0.0000 C 0 0 2.2301 1.1317 0.0000 C 0 0 3.4746 0.3063 0.0000 C 0 0 3 0 0 0 4.9285 0.6911 0.0000 C 0 0 5.9834 -0.4029 0.0000 C 0 0 5.5767 -1.8415 0.0000 C 0 0 3 0 0 0 3.0679 -1.1323 0.0000 C 0 0 3 0 0 0 1.5754 -1.1841 0.0000 N 0 0 1.0656 0.2294 0.0000 C 0 0 -0.3756 0.6480 0.0000 C 0 0 2 0 0 0 -0.6196 2.1297 0.0000 C 0 0 -2.0249 2.6543 0.0000 C 0 0 -3.1818 1.6996 0.0000 C 0 0 3 0 0 0 -2.9334 0.2203 0.0000 C 0 0 -1.5281 -0.3043 0.0000 C 0 0 -4.3060 2.1192 0.0000 F 0 0 6.6283 -2.9123 0.0000 N 0 0 4.1052 -2.2213 0.0000 N 0 0 1 6 1 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 4 7 1 1 5 6 1 0 7 14 2 0 8 7 1 4 8 12 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 22 1 4 11 23 1 0 12 13 1 4 12 23 1 0 13 14 1 0 15 14 1 1 15 20 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 18 21 1 4 19 20 1 0 M END > ZINC03833975 > 10 $$$$ SciTegic07110717442D 23 26 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.7770 1.0106 0.0000 C 0 0 3.4109 2.3560 0.0000 C 0 0 4.8966 2.1496 0.0000 N 0 0 5.1595 0.6728 0.0000 C 0 0 3.8362 -0.0335 0.0000 N 0 0 6.5087 0.0205 0.0000 C 0 0 1 0 0 0 5.5215 -1.0216 0.0000 C 0 0 6.6567 -2.0019 0.0000 C 0 0 7.6371 -0.8667 0.0000 C 0 0 7.7503 0.8636 0.0000 O 0 0 2.6964 3.6758 0.0000 C 0 0 3.5858 4.8859 0.0000 C 0 0 2.9786 6.2575 0.0000 C 0 0 1.4872 6.4175 0.0000 N 0 0 0.6029 5.2059 0.0000 C 0 0 1.2100 3.8343 0.0000 C 0 0 -2.3383 -1.3500 0.0000 F 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 23 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 11 1 0 7 8 2 0 8 9 1 0 8 17 1 0 9 10 2 0 10 12 1 0 10 11 1 0 12 15 1 0 12 13 1 0 12 16 1 1 13 14 1 0 14 15 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 M END > ZINC03815738 > 11 $$$$ SciTegic07110717442D 25 28 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.7770 1.0106 0.0000 C 0 0 3.8362 -0.0335 0.0000 C 0 0 5.1595 0.6728 0.0000 N 0 0 4.8966 2.1496 0.0000 C 0 0 3.4109 2.3560 0.0000 N 0 0 6.5072 0.0183 0.0000 C 0 0 2 0 0 0 6.3671 1.4913 0.0000 C 0 0 7.6101 2.3309 0.0000 C 0 0 9.0644 0.1780 0.0000 C 0 0 7.8214 -0.6617 0.0000 C 0 0 3.6208 -1.5187 0.0000 C 0 0 2.2805 -2.1803 0.0000 C 0 0 2.1838 -3.6772 0.0000 C 0 0 3.4318 -4.5093 0.0000 N 0 0 4.7765 -3.8446 0.0000 C 0 0 4.8731 -2.3477 0.0000 N 0 0 6.0269 -4.6746 0.0000 N 0 0 -2.3383 -1.3500 0.0000 F 0 0 8.9588 1.6742 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 24 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 11 1 0 7 8 2 0 8 9 1 0 8 17 1 0 9 10 1 0 12 9 1 6 10 11 2 0 12 16 1 0 12 13 1 0 13 14 1 0 14 25 1 0 15 16 1 0 15 25 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 21 23 1 0 M CHG 1 25 1 M END > ZINC03815692 > 12 $$$$ SciTegic07110717442D 26 29 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.7770 1.0106 0.0000 C 0 0 3.4152 2.3540 0.0000 C 0 0 4.9002 2.1429 0.0000 N 0 0 5.1584 0.6653 0.0000 C 0 0 3.8328 -0.0368 0.0000 N 0 0 5.9427 3.2190 0.0000 C 0 0 7.3986 2.8545 0.0000 C 0 0 8.4429 3.9325 0.0000 C 0 0 8.9565 2.4482 0.0000 C 0 0 9.7939 1.2037 0.0000 C 0 0 11.2363 1.6156 0.0000 C 0 0 11.2903 3.1146 0.0000 C 0 0 2.7048 3.6760 0.0000 C 0 0 3.5981 4.8833 0.0000 C 0 0 2.9953 6.2569 0.0000 C 0 0 1.5043 6.4216 0.0000 N 0 0 0.6162 5.2128 0.0000 C 0 0 1.2190 3.8392 0.0000 C 0 0 -2.3383 -1.3500 0.0000 F 0 0 9.8988 3.5680 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 25 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 11 1 0 7 8 2 0 8 9 1 0 8 19 1 0 9 10 1 0 9 12 1 0 10 11 2 0 12 13 1 0 13 14 1 0 14 26 1 0 15 16 1 0 15 26 1 0 16 17 1 0 17 18 1 0 18 26 1 0 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 M CHG 1 26 1 M END > ZINC03810104 > 13 $$$$ SciTegic07110717442D 26 29 0 0 0 0 999 V2000 4.6505 9.6126 0.0000 C 0 0 3.9421 10.9348 0.0000 C 0 0 2.4428 10.9824 0.0000 C 0 0 1.6520 9.7078 0.0000 C 0 0 2.3604 8.3856 0.0000 C 0 0 3.8596 8.3380 0.0000 C 0 0 4.0732 6.8525 0.0000 C 0 0 5.3957 6.1720 0.0000 C 0 0 5.1376 4.6944 0.0000 N 0 0 3.6525 4.4833 0.0000 C 0 0 2.9928 5.8304 0.0000 N 0 0 6.4852 4.0398 0.0000 C 0 0 6.5932 2.5428 0.0000 C 0 0 7.0463 0.7103 0.0000 C 0 0 7.6583 -0.6591 0.0000 C 0 0 9.1503 -0.8138 0.0000 O 0 0 10.0303 0.4010 0.0000 C 0 0 9.4182 1.7705 0.0000 C 0 0 6.7396 6.8401 0.0000 C 0 0 7.9179 5.9090 0.0000 C 0 0 9.3099 6.4679 0.0000 C 0 0 9.5219 7.9528 0.0000 N 0 0 8.3418 8.8789 0.0000 C 0 0 6.9499 8.3200 0.0000 C 0 0 1.8761 12.0401 0.0000 F 0 0 7.9432 1.8871 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 25 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 11 1 0 7 8 2 0 8 9 1 0 8 19 1 0 9 10 1 0 9 12 1 0 10 11 2 0 12 13 1 0 13 26 1 0 14 15 1 0 14 26 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 26 1 0 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 M CHG 1 26 1 M END > ZINC03815785 > 14 $$$$ SciTegic07110717442D 27 30 0 0 0 0 999 V2000 10.7047 -7.1474 0.0000 C 0 0 10.9163 -8.6324 0.0000 C 0 0 12.3081 -9.1917 0.0000 C 0 0 13.4884 -8.2659 0.0000 C 0 0 13.2768 -6.7809 0.0000 C 0 0 11.8849 -6.2217 0.0000 C 0 0 12.1942 -4.7531 0.0000 C 0 0 11.1856 -3.6601 0.0000 C 0 0 11.9352 -2.3608 0.0000 N 0 0 13.4025 -2.6722 0.0000 C 0 0 13.5598 -4.1639 0.0000 N 0 0 11.8302 -0.8662 0.0000 C 0 0 13.0736 -0.0258 0.0000 C 0 0 12.9684 1.4713 0.0000 C 0 0 13.1572 3.3495 0.0000 C 0 0 13.5691 4.7919 0.0000 C 0 0 15.0241 5.1564 0.0000 O 0 0 16.0673 4.0785 0.0000 C 0 0 15.6555 2.6362 0.0000 C 0 0 9.6941 -3.8263 0.0000 C 0 0 8.9068 -2.5473 0.0000 C 0 0 7.4076 -2.5945 0.0000 C 0 0 6.6988 -3.9166 0.0000 N 0 0 7.4894 -5.1913 0.0000 C 0 0 8.9886 -5.1441 0.0000 C 0 0 12.4774 -10.3797 0.0000 F 0 0 14.2119 2.3118 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 26 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 11 1 0 7 8 2 0 8 9 1 0 8 20 1 0 9 10 1 0 9 12 1 0 10 11 2 0 12 13 1 0 13 14 1 0 14 27 1 0 15 16 1 0 15 27 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 27 1 0 20 25 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 M CHG 1 27 1 M END > ZINC03810097 > 15 $$$$ SciTegic07110717442D 28 31 0 0 0 0 999 V2000 3.9006 3.7348 0.0000 C 0 0 3.9068 5.2348 0.0000 C 0 0 2.6109 5.9901 0.0000 C 0 0 1.3087 5.2455 0.0000 C 0 0 1.3026 3.7455 0.0000 C 0 0 2.5985 2.9901 0.0000 C 0 0 0.0105 5.9986 0.0000 O 0 0 -1.2912 5.2516 0.0000 C 0 0 -2.5894 6.0047 0.0000 C 0 0 -3.8912 5.2578 0.0000 C 0 0 -5.1894 6.0109 0.0000 N 0 0 -5.3242 7.4920 0.0000 C 0 0 -6.7907 7.8069 0.0000 N 0 0 -7.5434 6.5094 0.0000 C 0 0 -6.5420 5.3926 0.0000 C 0 0 -6.8483 3.9234 0.0000 C 0 0 -8.3088 3.5734 0.0000 C 0 0 -8.7305 2.1339 0.0000 C 0 0 -7.6948 1.0489 0.0000 N 0 0 -6.2373 1.4034 0.0000 C 0 0 -5.8155 2.8428 0.0000 C 0 0 -8.9988 6.8754 0.0000 C 0 0 -9.2953 8.3476 0.0000 C 0 0 -10.7183 8.8219 0.0000 C 0 0 -11.8406 7.8266 0.0000 C 0 0 -11.5398 6.3571 0.0000 C 0 0 -10.1168 5.8828 0.0000 C 0 0 -12.9790 8.2061 0.0000 F 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 15 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 14 22 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 22 27 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 25 28 1 0 26 27 1 0 M END > ZINC03815713 > 16 $$$$ SciTegic07110717442D 29 32 0 0 0 0 999 V2000 -5.1888 10.5037 0.0000 C 0 0 -6.4888 9.7553 0.0000 C 0 0 -6.4907 8.2553 0.0000 C 0 0 -5.1926 7.5037 0.0000 C 0 0 -3.8926 8.2520 0.0000 C 0 0 -3.8907 9.7520 0.0000 C 0 0 -5.1945 6.0029 0.0000 C 0 0 -6.4966 3.7524 0.0000 C 0 0 -7.7969 3.0029 0.0000 C 0 0 -7.7988 1.5020 0.0000 C 0 0 -9.0990 0.7524 0.0000 N 0 0 -10.4499 1.3744 0.0000 C 0 0 -11.4543 0.2603 0.0000 N 0 0 -10.7051 -1.0392 0.0000 C 0 0 -9.2377 -0.7283 0.0000 C 0 0 -8.1171 -1.7265 0.0000 C 0 0 -8.5421 -3.1669 0.0000 C 0 0 -7.5049 -4.2505 0.0000 C 0 0 -6.0479 -3.8940 0.0000 N 0 0 -5.6281 -2.4539 0.0000 C 0 0 -6.6654 -1.3703 0.0000 C 0 0 -11.7483 -2.1181 0.0000 C 0 0 -13.1722 -1.6408 0.0000 C 0 0 -14.2930 -2.6376 0.0000 C 0 0 -13.9902 -4.1068 0.0000 C 0 0 -12.5664 -4.5790 0.0000 C 0 0 -11.4456 -3.5822 0.0000 C 0 0 -14.8868 -4.9042 0.0000 F 0 0 -6.4947 5.2533 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 29 1 0 8 9 1 0 8 29 1 0 9 10 1 0 10 11 1 0 11 15 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 14 22 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 22 27 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 25 28 1 0 26 27 1 0 M CHG 1 29 1 M END > ZINC03810102 > 17 $$$$ SciTegic07110717442D 30 34 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5987 1.5004 0.0000 C 0 0 3.9511 0.8815 0.0000 N 0 0 4.9530 1.9978 0.0000 C 0 0 4.2010 3.2957 0.0000 C 0 0 2.7343 2.9815 0.0000 N 0 0 4.8092 4.6676 0.0000 C 0 0 6.3103 4.7094 0.0000 C 0 0 7.0197 6.0311 0.0000 C 0 0 6.2298 7.3063 0.0000 C 0 0 4.7306 7.2598 0.0000 C 0 0 4.0212 5.9381 0.0000 C 0 0 6.7973 8.3636 0.0000 F 0 0 6.3029 1.3421 0.0000 C 0 0 6.2923 -0.1596 0.0000 C 0 0 7.5884 -0.9147 0.0000 C 0 0 8.8904 -0.1698 0.0000 N 0 0 8.8963 1.3302 0.0000 C 0 0 7.6002 2.0853 0.0000 C 0 0 -2.5987 -1.5004 0.0000 C 0 0 -3.9511 -0.8815 0.0000 N 0 0 -4.9530 -1.9978 0.0000 C 0 0 -6.1467 -1.8743 0.0000 O 0 0 -4.2010 -3.2957 0.0000 O 0 0 -2.7343 -2.9815 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 25 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 11 2 0 7 8 1 0 8 9 1 0 9 10 2 0 9 19 1 0 10 11 1 0 10 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 15 18 1 0 16 17 1 0 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 25 30 2 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 29 30 1 0 M END > ZINC04617903 > 18 $$$$ SciTegic07110717442D 31 35 0 0 0 0 999 V2000 -4.4676 6.1312 0.0000 C 0 0 -5.4332 4.9834 0.0000 C 0 0 -4.9220 3.5732 0.0000 C 0 0 -3.4451 3.3109 0.0000 C 0 0 -2.4795 4.4587 0.0000 C 0 0 -2.9907 5.8689 0.0000 C 0 0 -2.9336 1.8999 0.0000 C 0 0 -2.6003 0.0419 0.0000 C 0 0 -2.6010 -1.4581 0.0000 C 0 0 -3.9004 -2.2075 0.0000 C 0 0 1 0 0 0 -5.1991 -1.4569 0.0000 C 0 0 -5.1984 0.0431 0.0000 C 0 0 -2.9229 -3.3191 0.0000 N 0 0 -1.4439 -3.1634 0.0000 C 0 0 -0.8500 -4.5408 0.0000 N 0 0 -1.9764 -5.5314 0.0000 C 0 0 -3.2665 -4.7661 0.0000 C 0 0 -4.6482 -5.3521 0.0000 C 0 0 -4.7076 -6.8528 0.0000 C 0 0 -6.0377 -7.5463 0.0000 C 0 0 -7.3033 -6.7412 0.0000 N 0 0 -7.2389 -5.2426 0.0000 C 0 0 -5.9089 -4.5491 0.0000 C 0 0 -1.3345 -6.8879 0.0000 C 0 0 0.1673 -6.8925 0.0000 C 0 0 0.9091 -8.1962 0.0000 C 0 0 0.1510 -9.4906 0.0000 C 0 0 -1.3490 -9.4812 0.0000 C 0 0 -2.0908 -8.1774 0.0000 C 0 0 0.7444 -10.5335 0.0000 F 0 0 -3.8990 0.7508 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 31 1 0 8 9 1 0 8 31 1 0 9 10 1 0 10 11 1 0 10 13 1 6 11 12 1 0 12 31 1 0 13 17 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 16 24 1 0 17 18 1 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 24 29 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 27 30 1 0 28 29 1 0 M CHG 1 31 1 M END > ZINC03815762 > 19 $$$$ SciTegic07110717442D 31 35 0 0 0 0 999 V2000 5.1011 -0.0821 0.0000 C 0 0 6.5780 -0.3444 0.0000 C 0 0 7.5436 0.8035 0.0000 C 0 0 7.0324 2.2137 0.0000 C 0 0 5.5555 2.4760 0.0000 C 0 0 4.5898 1.3281 0.0000 C 0 0 3.1122 1.5906 0.0000 C 0 0 1.3364 2.2310 0.0000 C 0 0 0.0377 2.9816 0.0000 C 0 0 0.0384 4.4816 0.0000 O 0 0 1.3378 5.2310 0.0000 C 0 0 2.6365 4.4804 0.0000 C 0 0 9.0212 0.5410 0.0000 C 0 0 10.0817 1.5838 0.0000 N 0 0 11.4041 0.8758 0.0000 C 0 0 11.1395 -0.6007 0.0000 C 0 0 9.6535 -0.8052 0.0000 N 0 0 12.1789 -1.6832 0.0000 C 0 0 13.6044 -1.2108 0.0000 C 0 0 14.7218 -2.2115 0.0000 C 0 0 14.4138 -3.6796 0.0000 C 0 0 12.9885 -4.1469 0.0000 C 0 0 11.8711 -3.1462 0.0000 C 0 0 15.3077 -4.4802 0.0000 F 0 0 12.4497 1.9524 0.0000 C 0 0 11.9279 3.3605 0.0000 C 0 0 12.8890 4.5121 0.0000 C 0 0 14.3669 4.2556 0.0000 N 0 0 14.8837 2.8474 0.0000 C 0 0 13.9226 1.6958 0.0000 C 0 0 2.5997 3.0013 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 13 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 31 1 0 8 9 1 0 8 31 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 31 1 0 13 17 2 0 13 14 1 0 14 15 1 0 15 16 2 0 15 25 1 0 16 17 1 0 16 18 1 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 21 24 1 0 22 23 1 0 25 30 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 M CHG 1 31 1 M END > ZINC03794499 > 20 $$$$