SciTegic07110717482D 13 13 0 0 0 0 999 V2000 2.5988 -1.5004 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 N 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.3383 1.3500 0.0000 O 0 0 0.0000 1.5000 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 2.3383 1.3500 0.0000 O 0 0 0.0000 -3.0008 0.0000 C 0 0 1.2993 -3.7521 0.0000 C 0 0 1.2993 -5.2529 0.0000 C 0 0 2.5986 -6.0041 0.0000 O 0 0 1 2 1 0 2 8 1 0 2 3 2 0 3 4 1 0 3 10 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 2 0 10 11 1 0 11 12 1 0 12 13 1 0 M END > ZINC02046905 > 1 $$$$ SciTegic07110717482D 15 15 0 0 0 0 999 V2000 2.5988 -1.5004 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 N 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.3383 1.3500 0.0000 O 0 0 0.0000 1.5000 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 2.3383 1.3500 0.0000 O 0 0 0.0000 -3.0008 0.0000 C 0 0 -1.2993 -3.7521 0.0000 C 0 0 2 0 0 0 -1.2993 -5.2529 0.0000 C 0 0 -2.5985 -6.0041 0.0000 O 0 0 -2.5992 -3.0021 0.0000 C 0 0 -2.6006 -1.5013 0.0000 O 0 0 1 2 1 0 2 8 1 0 2 3 2 0 3 4 1 0 3 10 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 2 0 11 10 1 6 11 12 1 0 11 14 1 0 12 13 1 0 14 15 1 0 M END > ZINC02046904 > 1 $$$$ SciTegic07110717482D 16 17 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 N 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.3383 1.3500 0.0000 O 0 0 0.0000 1.5000 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 2.3383 1.3500 0.0000 O 0 0 -2.7771 -1.0105 0.0000 C 0 0 1 0 0 0 -4.1977 -1.3627 0.0000 C 0 0 -4.2517 -2.8617 0.0000 C 0 0 1 0 0 0 -2.8427 -3.3763 0.0000 C 0 0 2 0 0 0 -1.9179 -2.1953 0.0000 O 0 0 -1.3942 -3.7146 0.0000 C 0 0 -0.9355 -5.1436 0.0000 O 0 0 -5.5773 -2.1869 0.0000 O 0 0 1 7 1 0 1 2 2 0 2 3 1 0 3 4 1 0 9 3 1 6 4 5 2 0 4 6 1 0 6 7 1 0 7 8 2 0 9 13 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 16 1 1 12 13 1 0 12 14 1 6 14 15 1 0 M END > ZINC00155696 > 2 $$$$ SciTegic07110717482D 16 17 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 N 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.3383 1.3500 0.0000 O 0 0 0.0000 1.5000 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 2.3383 1.3500 0.0000 O 0 0 -2.7771 -1.0105 0.0000 C 0 0 1 0 0 0 -4.1977 -1.3627 0.0000 C 0 0 -4.2517 -2.8617 0.0000 C 0 0 1 0 0 0 -2.8427 -3.3763 0.0000 C 0 0 2 0 0 0 -1.9179 -2.1953 0.0000 O 0 0 -1.3942 -3.7146 0.0000 C 0 0 -0.9355 -5.1436 0.0000 O 0 0 -5.3217 -2.3186 0.0000 F 0 0 1 7 1 0 1 2 2 0 2 3 1 0 3 4 1 0 9 3 1 6 4 5 2 0 4 6 1 0 6 7 1 0 7 8 2 0 9 13 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 16 1 1 12 13 1 0 12 14 1 6 14 15 1 0 M END > ZINC03792179 > 2 $$$$ SciTegic07110717482D 17 18 0 0 0 0 999 V2000 2.5988 -1.5004 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 N 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.3383 1.3500 0.0000 O 0 0 0.0000 1.5000 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 2.3383 1.3500 0.0000 O 0 0 -2.5989 -1.5003 0.0000 C 0 0 1 0 0 0 -3.8133 -2.3172 0.0000 C 0 0 -3.3514 -3.7443 0.0000 C 0 0 2 0 0 0 -1.8514 -3.7459 0.0000 C 0 0 2 0 0 0 -1.3863 -2.3198 0.0000 O 0 0 -2.4781 -5.0947 0.0000 C 0 0 -3.0888 -6.4657 0.0000 C 0 0 -4.8278 -3.5635 0.0000 O 0 0 1 2 1 0 2 8 1 0 2 3 2 0 3 4 1 0 4 5 1 0 10 4 1 6 5 6 2 0 5 7 1 0 7 8 1 0 8 9 2 0 10 14 1 0 10 11 1 0 11 12 1 0 12 13 1 0 12 17 1 6 13 14 1 0 13 15 1 6 15 16 3 0 M END > ZINC03834165 > 2 $$$$ SciTegic07110717482D 17 18 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 N 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.3383 1.3500 0.0000 O 0 0 0.0000 1.5000 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 2.3383 1.3500 0.0000 O 0 0 -2.7771 -1.0105 0.0000 C 0 0 1 0 0 0 -4.1977 -1.3627 0.0000 C 0 0 2 0 0 0 -4.2517 -2.8617 0.0000 C 0 0 1 0 0 0 -2.8427 -3.3763 0.0000 C 0 0 2 0 0 0 -1.9179 -2.1953 0.0000 O 0 0 -1.3942 -3.7146 0.0000 C 0 0 -0.9355 -5.1436 0.0000 O 0 0 -5.5773 -2.1869 0.0000 O 0 0 -5.5801 -1.9148 0.0000 O 0 0 1 7 1 0 1 2 2 0 2 3 1 0 3 4 1 0 9 3 1 6 4 5 2 0 4 6 1 0 6 7 1 0 7 8 2 0 9 13 1 0 9 10 1 0 10 11 1 0 10 17 1 6 11 12 1 0 11 16 1 1 12 13 1 0 12 14 1 6 14 15 1 0 M END > ZINC03834164 > 2 $$$$ SciTegic07110717482D 17 18 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -2.3383 -1.3500 0.0000 O 0 0 -1.2990 0.7500 0.0000 N 0 0 0.0000 1.5000 0.0000 C 0 0 0.0000 2.7000 0.0000 O 0 0 1.2990 0.7500 0.0000 N 0 0 2.7770 1.0108 0.0000 C 0 0 1 0 0 0 4.2324 1.1657 0.0000 C 0 0 4.7959 -0.2245 0.0000 C 0 0 1 0 0 0 3.6479 -1.1899 0.0000 C 0 0 2 0 0 0 2.3749 -0.3965 0.0000 O 0 0 2.4024 -2.0033 0.0000 C 0 0 2.4602 -3.5030 0.0000 O 0 0 5.6156 0.6519 0.0000 F 0 0 0.0000 -2.7000 0.0000 Br 0 0 1 8 1 0 1 2 2 0 2 3 1 0 2 17 1 0 3 4 2 0 3 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 9 8 1 1 9 13 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 16 1 6 12 13 1 0 12 14 1 1 14 15 1 0 M END > ZINC03834171 > 2 $$$$ SciTegic07110717482D 17 18 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -2.3383 -1.3500 0.0000 O 0 0 -1.2990 0.7500 0.0000 N 0 0 0.0000 1.5000 0.0000 C 0 0 0.0000 2.7000 0.0000 O 0 0 1.2990 0.7500 0.0000 N 0 0 2.7770 1.0108 0.0000 C 0 0 1 0 0 0 4.2324 1.1657 0.0000 C 0 0 4.7959 -0.2245 0.0000 C 0 0 1 0 0 0 3.6479 -1.1899 0.0000 C 0 0 2 0 0 0 2.3749 -0.3965 0.0000 O 0 0 2.4024 -2.0033 0.0000 C 0 0 2.4602 -3.5030 0.0000 O 0 0 5.6156 0.6519 0.0000 F 0 0 0.0000 -2.7000 0.0000 I 0 0 1 8 1 0 1 2 2 0 2 3 1 0 2 17 1 0 3 4 2 0 3 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 9 8 1 1 9 13 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 16 1 6 12 13 1 0 12 14 1 1 14 15 1 0 M END > ZINC03792176 > 2 $$$$ SciTegic07110717482D 17 18 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -2.3383 -1.3500 0.0000 O 0 0 -1.2990 0.7500 0.0000 N 0 0 0.0000 1.5000 0.0000 C 0 0 0.0000 2.7000 0.0000 O 0 0 1.2990 0.7500 0.0000 N 0 0 2.7770 1.0108 0.0000 C 0 0 1 0 0 0 4.2324 1.1657 0.0000 C 0 0 4.7959 -0.2245 0.0000 C 0 0 1 0 0 0 3.6479 -1.1899 0.0000 C 0 0 2 0 0 0 2.3749 -0.3965 0.0000 O 0 0 2.4024 -2.0033 0.0000 C 0 0 2.4602 -3.5030 0.0000 O 0 0 5.6156 0.6519 0.0000 F 0 0 0.0000 -2.7000 0.0000 Cl 0 0 1 8 1 0 1 2 2 0 2 3 1 0 2 17 1 0 3 4 2 0 3 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 9 8 1 1 9 13 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 16 1 6 12 13 1 0 12 14 1 1 14 15 1 0 M END > ZINC01851238 > 2 $$$$ SciTegic07110717482D 17 18 0 0 0 0 999 V2000 2.5988 -1.5004 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 N 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.3383 1.3500 0.0000 O 0 0 0.0000 1.5000 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 2.3383 1.3500 0.0000 O 0 0 -2.7771 -1.0105 0.0000 C 0 0 1 0 0 0 -4.1977 -1.3627 0.0000 C 0 0 -4.2517 -2.8617 0.0000 C 0 0 1 0 0 0 -2.8427 -3.3763 0.0000 C 0 0 2 0 0 0 -1.9179 -2.1953 0.0000 O 0 0 -1.3942 -3.7146 0.0000 C 0 0 -0.9355 -5.1436 0.0000 O 0 0 -5.5773 -2.1869 0.0000 O 0 0 1 2 1 0 2 8 1 0 2 3 2 0 3 4 1 0 4 5 1 0 10 4 1 6 5 6 2 0 5 7 1 0 7 8 1 0 8 9 2 0 10 14 1 0 10 11 1 0 11 12 1 0 12 13 1 0 12 17 1 1 13 14 1 0 13 15 1 6 15 16 1 0 M END > ZINC00025672 > 2 $$$$ SciTegic07110717482D 17 18 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -2.3383 -1.3500 0.0000 O 0 0 -1.2990 0.7500 0.0000 N 0 0 0.0000 1.5000 0.0000 C 0 0 0.0000 2.7000 0.0000 O 0 0 1.2990 0.7500 0.0000 N 0 0 2.7770 1.0108 0.0000 C 0 0 1 0 0 0 4.2324 1.1657 0.0000 C 0 0 4.7959 -0.2245 0.0000 C 0 0 1 0 0 0 3.6479 -1.1899 0.0000 C 0 0 2 0 0 0 2.3749 -0.3965 0.0000 O 0 0 2.4024 -2.0033 0.0000 C 0 0 2.4602 -3.5030 0.0000 O 0 0 5.8107 0.8631 0.0000 O 0 0 0.0000 -2.7000 0.0000 I 0 0 1 8 1 0 1 2 2 0 2 3 1 0 2 17 1 0 3 4 2 0 3 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 9 8 1 1 9 13 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 16 1 6 12 13 1 0 12 14 1 1 14 15 1 0 M END > ZINC03834173 > 2 $$$$ SciTegic07110717482D 16 17 0 0 0 0 999 V2000 2.5889 0.0182 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -0.9991 2.7132 0.0000 O 0 0 -2.3155 0.7475 0.0000 N 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 2.1825 -2.6263 0.0000 C 0 0 3.6516 -2.9334 0.0000 O 0 0 4.1211 -4.3589 0.0000 C 0 0 5.5902 -4.6660 0.0000 C 0 0 6.0597 -6.0915 0.0000 O 0 0 -3.6187 -1.4919 0.0000 N 0 0 1 10 1 0 1 2 2 0 2 3 1 0 3 9 2 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 1 0 7 8 2 0 7 16 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 M END > ZINC01530555 > 3 $$$$ SciTegic07110717482D 18 19 0 0 0 0 999 V2000 2.5889 0.0182 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -0.9991 2.7132 0.0000 O 0 0 -2.3155 0.7475 0.0000 N 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 2.1825 -2.6263 0.0000 C 0 0 3.6516 -2.9334 0.0000 C 0 0 4.1211 -4.3589 0.0000 C 0 0 1 0 0 0 5.5902 -4.6660 0.0000 C 0 0 6.0597 -6.0915 0.0000 O 0 0 3.1211 -5.4779 0.0000 C 0 0 3.5892 -6.9038 0.0000 O 0 0 -3.6187 -1.4919 0.0000 N 0 0 1 10 1 0 1 2 2 0 2 3 1 0 3 9 2 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 1 0 7 8 2 0 7 18 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 13 12 1 1 13 14 1 0 13 16 1 0 14 15 1 0 16 17 1 0 M END > ZINC00001899 > 3 $$$$ SciTegic07110717482D 18 19 0 0 0 0 999 V2000 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 2.1783 2.6281 0.0000 C 0 0 3.6464 2.9395 0.0000 O 0 0 4.1117 4.3664 0.0000 C 0 0 1 0 0 0 5.5798 4.6779 0.0000 C 0 0 6.0451 6.1048 0.0000 O 0 0 3.1083 5.4824 0.0000 C 0 0 3.5722 6.9098 0.0000 O 0 0 -1.0028 1.5132 0.0000 N 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 N 0 0 -1.0028 -1.5132 0.0000 C 0 0 -0.9991 -2.7132 0.0000 O 0 0 -3.6187 1.4919 0.0000 N 0 0 1 5 1 0 1 2 2 0 2 3 1 0 3 4 2 0 3 16 1 0 4 5 1 0 4 13 1 0 5 6 1 0 6 7 1 0 8 7 1 6 8 9 1 0 8 11 1 0 9 10 1 0 11 12 1 0 13 14 2 0 14 15 1 0 14 18 1 0 15 16 1 0 16 17 2 0 M END > ZINC00001505 > 3 $$$$ SciTegic07110717482D 18 20 0 0 0 0 999 V2000 2.5988 -1.5004 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 N 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.3383 1.3500 0.0000 O 0 0 0.0000 1.5000 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 2.3383 1.3500 0.0000 O 0 0 -2.2639 -1.8996 0.0000 C 0 0 1 0 0 0 -2.6948 -0.6259 0.0000 C 0 0 -4.0218 -0.4014 0.0000 C 0 0 1 0 0 0 -4.9083 -1.4564 0.0000 C 0 0 1 0 0 0 -3.1203 -2.9588 0.0000 C 0 0 2 0 0 0 -4.4585 -2.7248 0.0000 C 0 0 -6.1845 -0.7345 0.0000 C 0 0 -6.1991 0.7663 0.0000 O 0 0 -3.0458 0.7115 0.0000 O 0 0 1 2 1 0 2 8 1 0 2 3 2 0 3 4 1 0 4 5 1 0 10 4 1 6 5 6 2 0 5 7 1 0 7 8 1 0 8 9 2 0 10 14 1 0 10 11 1 0 11 12 1 0 12 13 1 0 12 18 1 1 13 15 1 0 13 14 1 0 13 16 1 6 14 15 1 1 16 17 1 0 M END > ZINC03834174 > 4 $$$$ SciTegic07110717482D 18 19 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -2.3383 -1.3500 0.0000 O 0 0 -1.2990 0.7500 0.0000 N 0 0 0.0000 1.5000 0.0000 C 0 0 0.0000 2.7000 0.0000 O 0 0 1.2990 0.7500 0.0000 N 0 0 2.7770 1.0108 0.0000 C 0 0 1 0 0 0 4.2402 1.2310 0.0000 C 0 0 4.7545 2.6401 0.0000 C 0 0 1 0 0 0 3.7913 3.7900 0.0000 C 0 0 2 0 0 0 2.3139 3.5308 0.0000 O 0 0 1.7996 2.1217 0.0000 C 0 0 2.8130 4.9011 0.0000 C 0 0 1.3347 4.6424 0.0000 O 0 0 5.6769 1.4821 0.0000 O 0 0 0.0000 -2.7000 0.0000 I 0 0 1 8 1 0 1 2 2 0 2 3 1 0 2 18 1 0 3 4 2 0 3 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 9 8 1 6 9 14 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 17 1 1 12 13 1 0 12 15 1 6 13 14 1 0 15 16 1 0 M END > ZINC03805724 > 5 $$$$ SciTegic07110717482D 21 23 0 0 0 0 999 V2000 4.9531 -1.9978 0.0000 C 0 0 3.9511 -0.8815 0.0000 C 0 0 2.5987 -1.5004 0.0000 C 0 0 2.7343 -2.9815 0.0000 S 0 0 4.2010 -3.2956 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 N 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.3383 1.3500 0.0000 O 0 0 0.0000 1.5000 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 2.3383 1.3500 0.0000 O 0 0 -2.7771 -1.0105 0.0000 C 0 0 1 0 0 0 -4.1977 -1.3627 0.0000 C 0 0 -4.2517 -2.8617 0.0000 C 0 0 2 0 0 0 -2.8427 -3.3763 0.0000 C 0 0 2 0 0 0 -1.9179 -2.1953 0.0000 O 0 0 -1.3942 -3.7146 0.0000 C 0 0 -0.9355 -5.1436 0.0000 O 0 0 -5.5773 -2.1869 0.0000 O 0 0 1 5 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 6 1 0 4 5 1 0 6 12 1 0 6 7 2 0 7 8 1 0 14 8 1 6 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 2 0 14 18 1 0 14 15 1 0 15 16 1 0 16 17 1 0 16 21 1 6 17 18 1 0 17 19 1 6 19 20 1 0 M END > ZINC03834166 > 6 $$$$ SciTegic07110717482D 21 23 0 0 0 0 999 V2000 4.9531 -1.9978 0.0000 C 0 0 3.9511 -0.8815 0.0000 C 0 0 2.5987 -1.5004 0.0000 C 0 0 2.7343 -2.9815 0.0000 O 0 0 4.2010 -3.2956 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 N 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.3383 1.3500 0.0000 O 0 0 0.0000 1.5000 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 2.3383 1.3500 0.0000 O 0 0 -2.7771 -1.0105 0.0000 C 0 0 1 0 0 0 -4.1977 -1.3627 0.0000 C 0 0 -4.2517 -2.8617 0.0000 C 0 0 2 0 0 0 -2.8427 -3.3763 0.0000 C 0 0 2 0 0 0 -1.9179 -2.1953 0.0000 O 0 0 -1.3942 -3.7146 0.0000 C 0 0 -0.9355 -5.1436 0.0000 O 0 0 -5.5773 -2.1869 0.0000 O 0 0 1 5 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 6 1 0 4 5 1 0 6 12 1 0 6 7 2 0 7 8 1 0 14 8 1 6 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 2 0 14 18 1 0 14 15 1 0 15 16 1 0 16 17 1 0 16 21 1 6 17 18 1 0 17 19 1 6 19 20 1 0 M END > ZINC03834168 > 6 $$$$ SciTegic07110717482D 22 24 0 0 0 0 999 V2000 3.9511 -0.8815 0.0000 C 0 0 4.9531 -1.9978 0.0000 C 0 0 4.2010 -3.2956 0.0000 C 0 0 2.7343 -2.9815 0.0000 S 0 0 2.5987 -1.5004 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 N 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.3383 1.3500 0.0000 O 0 0 0.0000 1.5000 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 2.3383 1.3500 0.0000 O 0 0 -2.7771 -1.0105 0.0000 C 0 0 1 0 0 0 -4.1977 -1.3627 0.0000 C 0 0 -4.2517 -2.8617 0.0000 C 0 0 2 0 0 0 -2.8427 -3.3763 0.0000 C 0 0 2 0 0 0 -1.9179 -2.1953 0.0000 O 0 0 -1.3942 -3.7146 0.0000 C 0 0 -0.9355 -5.1436 0.0000 O 0 0 -5.5773 -2.1869 0.0000 O 0 0 4.6873 -4.3927 0.0000 Br 0 0 1 5 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 22 1 0 4 5 1 0 5 6 1 0 6 12 1 0 6 7 2 0 7 8 1 0 14 8 1 6 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 2 0 14 18 1 0 14 15 1 0 15 16 1 0 16 17 1 0 16 21 1 6 17 18 1 0 17 19 1 6 19 20 1 0 M END > ZINC03834167 > 6 $$$$ SciTegic07110717482D 22 24 0 0 0 0 999 V2000 3.9511 -0.8815 0.0000 C 0 0 4.9531 -1.9978 0.0000 C 0 0 4.2010 -3.2956 0.0000 C 0 0 2.7343 -2.9815 0.0000 S 0 0 2.5987 -1.5004 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 N 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.3383 1.3500 0.0000 O 0 0 0.0000 1.5000 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 2.5972 1.5031 0.0000 N 0 0 -2.7771 -1.0105 0.0000 C 0 0 1 0 0 0 -4.1977 -1.3627 0.0000 C 0 0 -4.2517 -2.8617 0.0000 C 0 0 2 0 0 0 -2.8427 -3.3763 0.0000 C 0 0 2 0 0 0 -1.9179 -2.1953 0.0000 O 0 0 -1.3942 -3.7146 0.0000 C 0 0 -0.9355 -5.1436 0.0000 O 0 0 -5.5773 -2.1869 0.0000 O 0 0 4.6873 -4.3927 0.0000 Br 0 0 1 5 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 22 1 0 4 5 1 0 5 6 1 0 6 12 1 0 6 7 2 0 7 8 1 0 8 9 1 0 14 8 1 6 9 10 2 0 9 11 1 0 11 12 2 0 12 13 1 0 14 18 1 0 14 15 1 0 15 16 1 0 16 17 1 0 16 21 1 6 17 18 1 0 17 19 1 6 19 20 1 0 M END > ZINC03834169 > 6 $$$$ SciTegic07110717482D 23 25 0 0 0 0 999 V2000 3.9511 -0.8815 0.0000 C 0 0 4.9531 -1.9978 0.0000 C 0 0 4.2010 -3.2956 0.0000 C 0 0 2.7343 -2.9815 0.0000 S 0 0 2.5987 -1.5004 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 N 0 0 -1.2990 0.7500 0.0000 C 0 0 -2.3383 1.3500 0.0000 O 0 0 0.0000 1.5000 0.0000 N 0 0 1.2990 0.7500 0.0000 C 0 0 2.3383 1.3500 0.0000 O 0 0 -2.7771 -1.0105 0.0000 C 0 0 1 0 0 0 -4.1977 -1.3627 0.0000 C 0 0 1 0 0 0 -4.2517 -2.8617 0.0000 C 0 0 2 0 0 0 -2.8427 -3.3763 0.0000 C 0 0 2 0 0 0 -1.9179 -2.1953 0.0000 O 0 0 -1.3942 -3.7146 0.0000 C 0 0 -0.9355 -5.1436 0.0000 O 0 0 -5.5773 -2.1869 0.0000 O 0 0 -5.5801 -1.9148 0.0000 O 0 0 4.6873 -4.3927 0.0000 Br 0 0 1 5 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 23 1 0 4 5 1 0 5 6 1 0 6 12 1 0 6 7 2 0 7 8 1 0 14 8 1 6 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 2 0 14 18 1 0 14 15 1 0 15 16 1 0 15 22 1 1 16 17 1 0 16 21 1 6 17 18 1 0 17 19 1 6 19 20 1 0 M END > ZINC03834170 > 6 $$$$ SciTegic07110717482D 21 22 0 0 0 0 999 V2000 2.8384 -2.8587 0.0000 C 0 0 2.3269 -4.2697 0.0000 C 0 0 0.8500 -4.5320 0.0000 C 0 0 0.3387 -5.9422 0.0000 N 0 0 1.3044 -7.0900 0.0000 C 0 0 0.8954 -8.2182 0.0000 O 0 0 2.7813 -6.8277 0.0000 N 0 0 3.2925 -5.4175 0.0000 C 0 0 4.4740 -5.2076 0.0000 O 0 0 0.3349 -3.1223 0.0000 C 0 0 -1.1433 -2.8627 0.0000 C 0 0 2 0 0 0 -2.5936 -3.1558 0.0000 C 0 0 1 0 0 0 -3.5583 -2.0072 0.0000 N 0 0 -3.0460 -0.5974 0.0000 C 0 0 -3.8177 0.3215 0.0000 O 0 0 -1.5689 -0.3362 0.0000 N 0 0 -0.6041 -1.4848 0.0000 C 0 0 0.5800 -1.2903 0.0000 O 0 0 -3.8844 -3.8824 0.0000 C 0 0 -5.1939 -3.1490 0.0000 O 0 0 -1.6563 -4.2735 0.0000 C 0 0 1 2 1 0 2 8 1 0 2 3 2 0 3 4 1 0 3 10 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 2 0 11 10 1 6 11 17 1 0 11 12 1 0 11 21 1 0 12 13 1 0 12 19 1 6 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 2 0 19 20 1 0 M END > ZINC03834172 > 7 $$$$