SciTegic07110717462D 15 17 0 0 0 0 999 V2000 -2.6111 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 0.0000 -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 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 1.2964 -1.4973 0.0000 N 0 0 3.8926 1.4990 0.0000 C 0 0 4.0282 2.9800 0.0000 C 0 0 5.4950 3.2941 0.0000 C 0 0 6.2469 1.9962 0.0000 S 0 0 5.2449 0.8800 0.0000 C 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 10 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 2 0 8 9 1 0 8 11 1 0 9 10 2 0 11 15 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 M END > ZINC03832240 > 1 $$$$ SciTegic07110717462D 16 18 0 0 0 0 999 V2000 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 N 0 0 3.8926 -1.4990 0.0000 C 0 0 4.0282 -2.9800 0.0000 C 0 0 5.4950 -3.2941 0.0000 C 0 0 6.2469 -1.9962 0.0000 S 0 0 5.2449 -0.8800 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2928 -2.6973 0.0000 F 0 0 1 15 2 0 1 2 1 0 2 3 2 0 3 8 1 0 3 4 1 0 4 5 1 0 4 14 2 0 5 6 2 0 6 7 1 0 6 9 1 0 7 8 2 0 9 13 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 14 15 1 0 14 16 1 0 M END > ZINC03834023 > 1 $$$$ SciTegic07110717462D 16 18 0 0 0 0 999 V2000 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.8926 1.4990 0.0000 C 0 0 4.0282 2.9800 0.0000 C 0 0 5.4950 3.2941 0.0000 C 0 0 6.2469 1.9962 0.0000 S 0 0 5.2449 0.8800 0.0000 C 0 0 -3.6486 -1.3517 0.0000 F 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 16 1 0 4 5 2 0 5 10 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 8 11 1 0 9 10 2 0 11 15 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 M END > ZINC03834021 > 1 $$$$ SciTegic07110717462D 17 19 0 0 0 0 999 V2000 -3.9106 1.4992 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 N 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 3.8926 -1.4990 0.0000 C 0 0 4.0282 -2.9800 0.0000 C 0 0 5.4950 -3.2941 0.0000 C 0 0 6.2469 -1.9962 0.0000 S 0 0 5.2449 -0.8800 0.0000 C 0 0 -1.2876 -2.9981 0.0000 C 0 0 1 2 1 0 2 11 2 0 2 3 1 0 3 4 2 0 4 5 1 0 4 17 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 7 12 1 0 8 9 2 0 9 10 1 0 10 11 1 0 12 16 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 M END > ZINC03832218 > 1 $$$$ SciTegic07110717462D 17 19 0 0 0 0 999 V2000 -5.2109 0.7445 0.0000 C 0 0 -3.9122 1.4966 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 N 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 3.8926 -1.4990 0.0000 C 0 0 4.0282 -2.9800 0.0000 C 0 0 5.4950 -3.2941 0.0000 C 0 0 6.2469 -1.9962 0.0000 S 0 0 5.2449 -0.8800 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 12 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 11 2 0 6 7 1 0 7 8 2 0 8 9 1 0 8 13 1 0 9 10 2 0 10 11 1 0 11 12 1 0 13 17 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 M END > ZINC00008076 > 1 $$$$ SciTegic07110717462D 17 19 0 0 0 0 999 V2000 -5.2109 0.7445 0.0000 C 0 0 -3.9122 1.4966 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.8926 1.4990 0.0000 C 0 0 4.0282 2.9800 0.0000 C 0 0 5.4950 3.2941 0.0000 C 0 0 6.2469 1.9962 0.0000 S 0 0 5.2449 0.8800 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 12 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 2 0 10 11 1 0 10 13 1 0 11 12 2 0 13 17 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 M END > ZINC03832230 > 1 $$$$ SciTegic07110717462D 19 21 0 0 0 0 999 V2000 -3.9067 3.0027 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9067 -3.0027 0.0000 C 0 0 3.8926 1.4990 0.0000 C 0 0 4.0282 2.9800 0.0000 C 0 0 5.4950 3.2941 0.0000 C 0 0 6.2469 1.9962 0.0000 C 0 0 5.2449 0.8800 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 12 2 0 3 4 1 0 4 5 2 0 5 10 1 0 5 6 1 0 6 7 2 0 7 8 1 0 7 15 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 15 19 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 M END > ZINC00008079 > 1 $$$$ SciTegic07110717462D 19 21 0 0 0 0 999 V2000 -3.9067 3.0027 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9067 -3.0027 0.0000 C 0 0 3.8926 1.4990 0.0000 C 0 0 4.0282 2.9800 0.0000 C 0 0 5.4950 3.2941 0.0000 C 0 0 6.2469 1.9962 0.0000 S 0 0 5.2449 0.8800 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 12 2 0 3 4 1 0 4 5 2 0 5 10 1 0 5 6 1 0 6 7 2 0 7 8 1 0 7 15 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 15 19 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 M END > ZINC00008075 > 1 $$$$ SciTegic07110717462D 19 21 0 0 0 0 999 V2000 -3.9067 3.0027 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9067 -3.0027 0.0000 C 0 0 3.8927 1.4989 0.0000 C 0 0 2 0 0 0 2.6801 2.3185 0.0000 C 0 0 3.1452 3.7445 0.0000 C 0 0 4.6452 3.7429 0.0000 C 0 0 5.1072 2.3158 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 12 2 0 3 4 1 0 4 5 2 0 5 10 1 0 5 6 1 0 6 7 2 0 7 8 1 0 15 7 1 6 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 15 19 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 M END > ZINC03834044 > 1 $$$$ SciTegic07110717462D 19 21 0 0 0 0 999 V2000 -3.9067 3.0027 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 N 0 0 3.8926 -1.4990 0.0000 C 0 0 4.0282 -2.9800 0.0000 C 0 0 5.4950 -3.2941 0.0000 C 0 0 6.2469 -1.9962 0.0000 S 0 0 5.2449 -0.8800 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2907 -2.9981 0.0000 O 0 0 -2.5870 -3.7544 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 17 2 0 3 4 1 0 4 5 2 0 5 10 1 0 5 6 1 0 6 7 1 0 6 16 2 0 7 8 2 0 8 9 1 0 8 11 1 0 9 10 2 0 11 15 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 16 17 1 0 16 18 1 0 18 19 1 0 M END > ZINC03834026 > 1 $$$$ SciTegic07110717462D 19 21 0 0 0 0 999 V2000 -3.9067 3.0027 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9067 -3.0027 0.0000 C 0 0 3.8926 1.4990 0.0000 C 0 0 5.2449 0.8800 0.0000 C 0 0 6.2469 1.9962 0.0000 C 0 0 5.4950 3.2941 0.0000 C 0 0 4.0282 2.9800 0.0000 S 0 0 1 2 1 0 2 3 1 0 3 12 2 0 3 4 1 0 4 5 2 0 5 10 1 0 5 6 1 0 6 7 2 0 7 8 1 0 7 15 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 15 19 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 M END > ZINC03834034 > 1 $$$$ SciTegic07110717462D 20 22 0 0 0 0 999 V2000 -3.9067 3.0027 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9067 -3.0027 0.0000 C 0 0 3.8926 1.4990 0.0000 C 0 0 5.2449 0.8800 0.0000 C 0 0 6.2469 1.9962 0.0000 C 0 0 5.4950 3.2941 0.0000 C 0 0 4.0282 2.9800 0.0000 S 0 0 5.4892 -0.2949 0.0000 Cl 0 0 1 2 1 0 2 3 1 0 3 12 2 0 3 4 1 0 4 5 2 0 5 10 1 0 5 6 1 0 6 7 2 0 7 8 1 0 7 15 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 15 19 1 0 15 16 2 0 16 17 1 0 16 20 1 0 17 18 2 0 18 19 1 0 M END > ZINC03834022 > 1 $$$$ SciTegic07110717462D 21 23 0 0 0 0 999 V2000 -8.3610 0.4613 0.0000 C 0 0 -7.7536 1.8337 0.0000 O 0 0 -6.2640 1.9946 0.0000 C 0 0 -5.5150 3.2942 0.0000 C 0 0 -4.0476 2.9835 0.0000 C 0 0 -3.9086 1.5029 0.0000 C 0 0 -5.2594 0.8807 0.0000 S 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 3.8911 -1.5017 0.0000 O 0 0 3.8890 -3.0026 0.0000 C 0 0 3.8942 1.4964 0.0000 O 0 0 5.1929 0.7441 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 7 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 8 1 0 8 17 2 0 8 9 1 0 9 10 2 0 10 15 1 0 10 11 1 0 11 12 2 0 12 13 1 0 12 20 1 0 13 14 2 0 13 18 1 0 14 15 1 0 15 16 2 0 16 17 1 0 18 19 1 0 20 21 1 0 M END > ZINC03832236 > 1 $$$$ SciTegic07110717462D 16 18 0 0 0 0 999 V2000 -4.9153 0.7255 0.0000 C 0 0 -3.6217 1.4865 0.0000 O 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 2.1852 -2.6281 0.0000 C 0 0 1.2071 -3.7498 0.0000 C 0 0 1.9971 -5.0249 0.0000 C 0 0 3.4539 -4.6676 0.0000 S 0 0 3.5643 -3.1717 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 11 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 16 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 M END > ZINC03815797 > 2 $$$$ SciTegic07110717462D 16 18 0 0 0 0 999 V2000 2.8877 5.5424 0.0000 C 0 0 3.9698 4.5036 0.0000 C 0 0 3.6113 3.0471 0.0000 C 0 0 2.1749 2.6315 0.0000 C 0 0 1.0885 3.6681 0.0000 C 0 0 1.4470 5.1246 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -3.6187 -1.4919 0.0000 O 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 11 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 M END > ZINC00017525 > 3 $$$$ SciTegic07110717462D 17 19 0 0 0 0 999 V2000 -4.9153 0.7255 0.0000 C 0 0 -3.6217 1.4865 0.0000 S 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 2.1852 -2.6281 0.0000 C 0 0 1.1007 -3.6669 0.0000 C 0 0 1.4624 -5.1227 0.0000 C 0 0 2.9039 -5.5373 0.0000 C 0 0 3.9838 -4.4963 0.0000 C 0 0 3.6221 -3.0405 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 11 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 M END > ZINC03815798 > 3 $$$$ SciTegic07110717462D 17 19 0 0 0 0 999 V2000 -4.9153 0.7255 0.0000 C 0 0 -3.6217 1.4865 0.0000 O 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 2.1852 -2.6281 0.0000 C 0 0 1.1007 -3.6669 0.0000 C 0 0 1.4624 -5.1227 0.0000 C 0 0 2.9039 -5.5373 0.0000 C 0 0 3.9838 -4.4963 0.0000 C 0 0 3.6221 -3.0405 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 11 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 M END > ZINC00007489 > 3 $$$$ SciTegic07110717462D 18 20 0 0 0 0 999 V2000 -6.2216 1.4644 0.0000 C 0 0 -4.9153 0.7255 0.0000 C 0 0 -3.6217 1.4865 0.0000 O 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 2.1852 -2.6281 0.0000 C 0 0 1.1007 -3.6669 0.0000 C 0 0 1.4624 -5.1227 0.0000 C 0 0 2.9039 -5.5373 0.0000 C 0 0 3.9838 -4.4963 0.0000 C 0 0 3.6221 -3.0405 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 12 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 M END > ZINC03815792 > 3 $$$$ SciTegic07110717462D 18 20 0 0 0 0 999 V2000 -4.9153 0.7255 0.0000 C 0 0 -3.6217 1.4865 0.0000 O 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 2.1852 -2.6281 0.0000 C 0 0 1.1007 -3.6669 0.0000 C 0 0 1.4624 -5.1227 0.0000 C 0 0 2.9039 -5.5373 0.0000 C 0 0 3.9838 -4.4963 0.0000 C 0 0 3.6221 -3.0405 0.0000 C 0 0 3.2688 -6.9932 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 11 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 15 18 1 0 16 17 1 0 M END > ZINC03815794 > 3 $$$$ SciTegic07110717462D 18 20 0 0 0 0 999 V2000 -4.9153 0.7255 0.0000 C 0 0 -3.6217 1.4865 0.0000 C 0 0 -3.6319 2.6865 0.0000 O 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 2.1852 -2.6281 0.0000 C 0 0 1.1007 -3.6669 0.0000 C 0 0 1.4624 -5.1227 0.0000 C 0 0 2.9039 -5.5373 0.0000 C 0 0 3.9838 -4.4963 0.0000 C 0 0 3.6221 -3.0405 0.0000 C 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 12 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 M END > ZINC03815800 > 3 $$$$ SciTegic07110717462D 19 21 0 0 0 0 999 V2000 -7.5151 0.7033 0.0000 C 0 0 -6.2216 1.4644 0.0000 C 0 0 -4.9153 0.7255 0.0000 C 0 0 -3.6217 1.4865 0.0000 O 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 2.1852 -2.6281 0.0000 C 0 0 1.1007 -3.6669 0.0000 C 0 0 1.4624 -5.1227 0.0000 C 0 0 2.9039 -5.5373 0.0000 C 0 0 3.9838 -4.4963 0.0000 C 0 0 3.6221 -3.0405 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 13 1 0 8 9 2 0 9 10 1 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 M END > ZINC03815793 > 3 $$$$ SciTegic07110717462D 19 21 0 0 0 0 999 V2000 -7.5151 0.7033 0.0000 C 0 0 -6.2216 1.4644 0.0000 C 0 0 -4.9153 0.7255 0.0000 C 0 0 -3.6217 1.4865 0.0000 O 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 2.1852 -2.6281 0.0000 C 0 0 1.1007 -3.6669 0.0000 C 0 0 1.4624 -5.1227 0.0000 C 0 0 2.9039 -5.5373 0.0000 C 0 0 3.9838 -4.4963 0.0000 C 0 0 3.6221 -3.0405 0.0000 C 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 13 1 0 8 9 2 0 9 10 1 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 M END > ZINC03815796 > 3 $$$$ SciTegic07110717462D 19 21 0 0 0 0 999 V2000 -6.2216 1.4644 0.0000 C 0 0 -4.9153 0.7255 0.0000 O 0 0 -3.6217 1.4865 0.0000 C 0 0 -3.6319 2.6865 0.0000 O 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 2.1852 -2.6281 0.0000 C 0 0 1.1007 -3.6669 0.0000 C 0 0 1.4624 -5.1227 0.0000 C 0 0 2.9039 -5.5373 0.0000 C 0 0 3.9838 -4.4963 0.0000 C 0 0 3.6221 -3.0405 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 13 1 0 8 9 2 0 9 10 1 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 M END > ZINC03815799 > 3 $$$$ SciTegic07110717462D 19 21 0 0 0 0 999 V2000 2.8877 5.5424 0.0000 C 0 0 3.9698 4.5036 0.0000 C 0 0 3.6113 3.0471 0.0000 C 0 0 2.1749 2.6315 0.0000 C 0 0 1.0885 3.6681 0.0000 C 0 0 1.4470 5.1246 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -3.6187 -1.4919 0.0000 O 0 0 -3.6267 -2.9927 0.0000 C 0 0 -4.9300 -3.7369 0.0000 C 0 0 -4.9380 -5.2378 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 11 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 M CHG 1 19 1 M END > ZINC03832262 > 3 $$$$ SciTegic07110717462D 19 21 0 0 0 0 999 V2000 -3.6267 2.9927 0.0000 C 0 0 -3.6187 1.4919 0.0000 O 0 0 -2.3155 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -3.6202 -1.4892 0.0000 C 0 0 -4.9153 -0.7308 0.0000 O 0 0 1.7138 -1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 2.1852 -2.6281 0.0000 C 0 0 1.1007 -3.6669 0.0000 C 0 0 1.4624 -5.1227 0.0000 C 0 0 2.9039 -5.5373 0.0000 C 0 0 3.9838 -4.4963 0.0000 C 0 0 3.6221 -3.0405 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 13 1 0 5 6 1 0 6 7 2 0 6 11 1 0 7 8 1 0 8 9 1 0 9 10 1 0 11 12 1 0 11 14 1 0 12 13 2 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 M END > ZINC03832252 > 3 $$$$ SciTegic07110717462D 21 23 0 0 0 0 999 V2000 2.8877 5.5424 0.0000 C 0 0 3.9698 4.5036 0.0000 C 0 0 3.6113 3.0471 0.0000 C 0 0 2.1749 2.6315 0.0000 C 0 0 1.0885 3.6681 0.0000 C 0 0 1.4470 5.1246 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -3.6187 -1.4919 0.0000 O 0 0 -3.6267 -2.9927 0.0000 C 0 0 -4.9300 -3.7369 0.0000 C 0 0 -4.9380 -5.2378 0.0000 C 0 0 -6.2413 -5.9820 0.0000 C 0 0 -6.2494 -7.4828 0.0000 O 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 11 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 M END > ZINC03832258 > 3 $$$$ SciTegic07110717462D 21 23 0 0 0 0 999 V2000 2.8877 5.5424 0.0000 C 0 0 3.9698 4.5036 0.0000 C 0 0 3.6113 3.0471 0.0000 C 0 0 2.1749 2.6315 0.0000 C 0 0 1.0885 3.6681 0.0000 C 0 0 1.4470 5.1246 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -3.6187 -1.4919 0.0000 O 0 0 -3.6267 -2.9927 0.0000 C 0 0 -4.9300 -3.7369 0.0000 C 0 0 2 0 0 0 -6.2267 -2.9812 0.0000 C 0 0 -7.5300 -3.7255 0.0000 O 0 0 -3.6066 -4.5047 0.0000 O 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 11 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 18 21 1 1 19 20 1 0 M END > ZINC04628819 > 3 $$$$ SciTegic07110717462D 21 23 0 0 0 0 999 V2000 -3.6267 2.9927 0.0000 C 0 0 -3.6187 1.4919 0.0000 O 0 0 -2.3155 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -3.6187 -1.4919 0.0000 C 0 0 -4.6549 -0.8867 0.0000 O 0 0 -3.6267 -2.9927 0.0000 O 0 0 -4.9300 -3.7369 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 2.1852 -2.6281 0.0000 C 0 0 1.1007 -3.6669 0.0000 C 0 0 1.4624 -5.1227 0.0000 C 0 0 2.9039 -5.5373 0.0000 C 0 0 3.9838 -4.4963 0.0000 C 0 0 3.6221 -3.0405 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 15 1 0 5 6 1 0 6 7 2 0 6 13 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 13 14 1 0 13 16 1 0 14 15 2 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 M END > ZINC03832267 > 3 $$$$ SciTegic07110717462D 21 23 0 0 0 0 999 V2000 2.8877 5.5424 0.0000 C 0 0 3.9698 4.5036 0.0000 C 0 0 3.6113 3.0471 0.0000 C 0 0 2.1749 2.6315 0.0000 C 0 0 1.0885 3.6681 0.0000 C 0 0 1.4470 5.1246 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -3.6187 -1.4919 0.0000 O 0 0 -3.6267 -2.9927 0.0000 C 0 0 -4.9300 -3.7369 0.0000 C 0 0 1 0 0 0 -6.2267 -2.9812 0.0000 C 0 0 -7.5300 -3.7255 0.0000 O 0 0 -3.6066 -4.5047 0.0000 O 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 11 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 18 21 1 6 19 20 1 0 M END > ZINC03832249 > 3 $$$$ SciTegic07110717462D 22 24 0 0 0 0 999 V2000 -10.1150 0.6811 0.0000 C 0 0 -8.8343 2.9429 0.0000 C 0 0 -7.5151 0.7033 0.0000 C 0 0 -6.2216 1.4644 0.0000 C 0 0 -4.9153 0.7255 0.0000 C 0 0 -3.6217 1.4865 0.0000 O 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 2.1852 -2.6281 0.0000 C 0 0 1.1007 -3.6669 0.0000 C 0 0 1.4624 -5.1227 0.0000 C 0 0 2.9039 -5.5373 0.0000 C 0 0 3.9838 -4.4963 0.0000 C 0 0 3.6221 -3.0405 0.0000 C 0 0 -8.8215 1.4422 0.0000 N 0 3 1 22 1 0 2 22 1 0 3 4 1 0 3 22 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 12 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 15 1 0 10 11 2 0 11 12 1 0 11 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 M CHG 1 22 1 M END > ZINC03815790 > 3 $$$$ SciTegic07110717462D 23 25 0 0 0 0 999 V2000 -11.4214 1.4200 0.0000 C 0 0 -10.1022 -0.8196 0.0000 C 0 0 -8.8215 1.4422 0.0000 C 0 0 -7.5151 0.7033 0.0000 C 0 0 -6.2216 1.4644 0.0000 C 0 0 -4.9153 0.7255 0.0000 C 0 0 -3.6217 1.4865 0.0000 O 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 2.1852 -2.6281 0.0000 C 0 0 1.1007 -3.6669 0.0000 C 0 0 1.4624 -5.1227 0.0000 C 0 0 2.9039 -5.5373 0.0000 C 0 0 3.9838 -4.4963 0.0000 C 0 0 3.6221 -3.0405 0.0000 C 0 0 -10.1150 0.6811 0.0000 N 0 3 1 23 1 0 2 23 1 0 3 4 1 0 3 23 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 13 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 16 1 0 11 12 2 0 12 13 1 0 12 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 M CHG 1 23 1 M END > ZINC03815791 > 3 $$$$ SciTegic07110717462D 17 19 0 0 0 0 999 V2000 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.8926 1.4990 0.0000 C 0 0 3.8904 2.9990 0.0000 C 0 0 5.1883 3.7510 0.0000 C 0 0 6.4885 3.0029 0.0000 N 0 0 6.4908 1.5029 0.0000 C 0 0 5.1929 0.7510 0.0000 C 0 0 -3.6486 -1.3517 0.0000 Cl 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 17 1 0 4 5 2 0 5 10 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 8 11 1 0 9 10 2 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 M END > ZINC03832246 > 4 $$$$ SciTegic07110717462D 18 20 0 0 0 0 999 V2000 -5.2109 0.7445 0.0000 C 0 0 -3.9122 1.4966 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.8926 1.4990 0.0000 C 0 0 3.8904 2.9990 0.0000 C 0 0 5.1883 3.7510 0.0000 C 0 0 6.4885 3.0029 0.0000 N 0 0 6.4908 1.5029 0.0000 C 0 0 5.1929 0.7510 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 12 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 2 0 10 11 1 0 10 13 1 0 11 12 2 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 M END > ZINC03832253 > 4 $$$$ SciTegic07110717462D 18 20 0 0 0 0 999 V2000 -5.2109 0.7445 0.0000 C 0 0 -3.9122 1.4966 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 N 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 3.8926 -1.4990 0.0000 C 0 0 3.8904 -2.9990 0.0000 C 0 0 5.1883 -3.7510 0.0000 C 0 0 6.4885 -3.0029 0.0000 N 0 0 6.4908 -1.5029 0.0000 C 0 0 5.1929 -0.7510 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 12 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 11 2 0 6 7 1 0 7 8 2 0 8 9 1 0 8 13 1 0 9 10 2 0 10 11 1 0 11 12 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 M END > ZINC03832261 > 4 $$$$ SciTegic07110717462D 20 22 0 0 0 0 999 V2000 -3.9067 3.0027 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9067 -3.0027 0.0000 C 0 0 3.8926 1.4990 0.0000 C 0 0 3.8904 2.9990 0.0000 C 0 0 5.1883 3.7510 0.0000 C 0 0 6.4885 3.0029 0.0000 N 0 0 6.4908 1.5029 0.0000 C 0 0 5.1929 0.7510 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 12 2 0 3 4 1 0 4 5 2 0 5 10 1 0 5 6 1 0 6 7 2 0 7 8 1 0 7 15 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 M END > ZINC03832245 > 4 $$$$ SciTegic07110717462D 20 22 0 0 0 0 999 V2000 -3.9067 3.0027 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9067 -3.0027 0.0000 C 0 0 3.8926 1.4990 0.0000 C 0 0 3.8904 2.9990 0.0000 C 0 0 5.1883 3.7510 0.0000 C 0 0 6.4885 3.0029 0.0000 C 0 0 6.4908 1.5029 0.0000 N 0 0 5.1929 0.7510 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 12 2 0 3 4 1 0 4 5 2 0 5 10 1 0 5 6 1 0 6 7 2 0 7 8 1 0 7 15 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 M END > ZINC03832247 > 4 $$$$ SciTegic07110717462D 20 22 0 0 0 0 999 V2000 -3.9067 3.0027 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 N 0 0 3.8926 -1.4990 0.0000 C 0 0 3.8904 -2.9990 0.0000 C 0 0 5.1883 -3.7510 0.0000 C 0 0 6.4885 -3.0029 0.0000 N 0 0 6.4908 -1.5029 0.0000 C 0 0 5.1929 -0.7510 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2907 -2.9981 0.0000 O 0 0 -2.5870 -3.7544 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 18 2 0 3 4 1 0 4 5 2 0 5 10 1 0 5 6 1 0 6 7 1 0 6 17 2 0 7 8 2 0 8 9 1 0 8 11 1 0 9 10 2 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 17 18 1 0 17 19 1 0 19 20 1 0 M END > ZINC03832232 > 4 $$$$ SciTegic07110717462D 20 22 0 0 0 0 999 V2000 -3.9067 3.0027 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9067 -3.0027 0.0000 C 0 0 3.8926 1.4990 0.0000 C 0 0 3.8904 2.9990 0.0000 C 0 0 5.1883 3.7510 0.0000 C 0 0 6.4885 3.0029 0.0000 C 0 0 6.4908 1.5029 0.0000 C 0 0 5.1929 0.7510 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 12 2 0 3 4 1 0 4 5 2 0 5 10 1 0 5 6 1 0 6 7 2 0 7 8 1 0 7 15 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 M END > ZINC03834036 > 4 $$$$ SciTegic07110717462D 21 23 0 0 0 0 999 V2000 -3.9067 3.0027 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9067 -3.0027 0.0000 C 0 0 3.8926 1.4990 0.0000 C 0 0 3.8904 2.9990 0.0000 C 0 0 5.1883 3.7510 0.0000 C 0 0 6.4885 3.0029 0.0000 C 0 0 6.4908 1.5029 0.0000 C 0 0 5.1929 0.7510 0.0000 C 0 0 7.5309 0.9045 0.0000 F 0 0 1 2 1 0 2 3 1 0 3 12 2 0 3 4 1 0 4 5 2 0 5 10 1 0 5 6 1 0 6 7 2 0 7 8 1 0 7 15 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 M END > ZINC03834024 > 4 $$$$ SciTegic07110717462D 21 23 0 0 0 0 999 V2000 -3.9067 3.0027 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9067 -3.0027 0.0000 C 0 0 3.8926 1.4990 0.0000 C 0 0 3.8904 2.9990 0.0000 C 0 0 5.1883 3.7510 0.0000 C 0 0 6.4885 3.0029 0.0000 C 0 0 6.4908 1.5029 0.0000 C 0 0 5.1929 0.7510 0.0000 C 0 0 7.7886 3.7527 0.0000 O 0 0 1 2 1 0 2 3 1 0 3 12 2 0 3 4 1 0 4 5 2 0 5 10 1 0 5 6 1 0 6 7 2 0 7 8 1 0 7 15 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 18 21 1 0 19 20 1 0 M END > ZINC03834025 > 4 $$$$ SciTegic07110717462D 21 23 0 0 0 0 999 V2000 -3.9067 3.0027 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9067 -3.0027 0.0000 C 0 0 3.8926 1.4990 0.0000 C 0 0 3.8904 2.9990 0.0000 C 0 0 5.1883 3.7510 0.0000 C 0 0 6.4885 3.0029 0.0000 C 0 0 6.4908 1.5029 0.0000 C 0 0 5.1929 0.7510 0.0000 C 0 0 7.5268 3.6045 0.0000 F 0 0 1 2 1 0 2 3 1 0 3 12 2 0 3 4 1 0 4 5 2 0 5 10 1 0 5 6 1 0 6 7 2 0 7 8 1 0 7 15 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 18 21 1 0 19 20 1 0 M END > ZINC03834028 > 4 $$$$ SciTegic07110717462D 21 23 0 0 0 0 999 V2000 -3.9067 3.0027 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9067 -3.0027 0.0000 C 0 0 3.8926 1.4990 0.0000 C 0 0 5.1929 0.7510 0.0000 C 0 0 6.4908 1.5029 0.0000 C 0 0 6.4885 3.0029 0.0000 C 0 0 7.7856 3.7580 0.0000 O 0 0 5.1883 3.7510 0.0000 N 0 0 3.8904 2.9990 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 12 2 0 3 4 1 0 4 5 2 0 5 10 1 0 5 6 1 0 6 7 2 0 7 8 1 0 7 15 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 15 16 2 0 15 21 1 0 16 17 1 0 17 18 2 0 18 20 1 0 18 19 1 0 20 21 2 0 M END > ZINC03815788 > 4 $$$$ SciTegic07110717462D 22 24 0 0 0 0 999 V2000 -2.6152 5.2576 0.0000 C 0 0 -2.6120 3.7568 0.0000 O 0 0 -3.9097 3.0028 0.0000 C 0 0 -5.2093 3.7519 0.0000 C 0 0 -6.5078 3.0010 0.0000 C 0 0 -6.5067 1.5010 0.0000 N 0 0 -5.2071 0.7519 0.0000 C 0 0 -3.9086 1.5029 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 3.8911 -1.5017 0.0000 O 0 0 3.8890 -3.0026 0.0000 C 0 0 3.8942 1.4964 0.0000 O 0 0 5.1929 0.7441 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 18 2 0 9 10 1 0 10 11 2 0 11 16 1 0 11 12 1 0 12 13 2 0 13 14 1 0 13 21 1 0 14 15 2 0 14 19 1 0 15 16 1 0 16 17 2 0 17 18 1 0 19 20 1 0 21 22 1 0 M END > ZINC03815789 > 4 $$$$ SciTegic07110717462D 22 24 0 0 0 0 999 V2000 -3.9067 3.0027 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 N 0 0 3.8926 -1.4990 0.0000 C 0 0 3.8904 -2.9990 0.0000 C 0 0 5.1883 -3.7510 0.0000 C 0 0 6.4885 -3.0029 0.0000 N 0 0 6.4908 -1.5029 0.0000 C 0 0 5.1929 -0.7510 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9067 -3.0027 0.0000 C 0 0 -1.2907 -2.9981 0.0000 O 0 0 0.0114 -3.7445 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 18 2 0 3 4 1 0 4 5 2 0 5 10 1 0 5 6 1 0 6 7 1 0 6 17 2 0 7 8 2 0 8 9 1 0 8 11 1 0 9 10 2 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 17 18 1 0 17 21 1 0 18 19 1 0 19 20 1 0 21 22 1 0 M END > ZINC03832254 > 4 $$$$ SciTegic07110717462D 22 24 0 0 0 0 999 V2000 -2.5824 -3.7570 0.0000 C 0 0 -1.2876 -2.9981 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 O 0 0 -3.9086 1.5029 0.0000 C 0 0 -3.8985 3.0029 0.0000 C 0 0 -5.1925 3.7616 0.0000 C 0 0 -6.4965 3.0203 0.0000 C 0 0 -6.5065 1.5203 0.0000 C 0 0 -5.2125 0.7617 0.0000 C 0 0 -5.2206 -0.4383 0.0000 Cl 0 0 -2.8553 3.5960 0.0000 Cl 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.8911 -1.5017 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 8 1 0 3 4 1 0 4 21 2 0 4 5 1 0 5 6 1 0 5 18 2 0 6 7 2 0 7 8 1 0 7 10 1 0 8 9 2 0 10 15 2 0 10 11 1 0 11 12 2 0 11 17 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 M END > ZINC03815557 > 4 $$$$ SciTegic07110717462D 22 24 0 0 0 0 999 V2000 -7.8054 5.2540 0.0000 C 0 0 -7.8065 3.7531 0.0000 O 0 0 -6.5078 3.0010 0.0000 C 0 0 -5.2092 3.7519 0.0000 C 0 0 -3.9097 3.0028 0.0000 C 0 0 -3.9086 1.5029 0.0000 C 0 0 -5.2071 0.7519 0.0000 C 0 0 -6.5067 1.5010 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 3.8911 -1.5017 0.0000 O 0 0 3.8890 -3.0026 0.0000 C 0 0 3.8942 1.4964 0.0000 O 0 0 5.1929 0.7441 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 9 1 0 7 8 1 0 9 18 2 0 9 10 1 0 10 11 2 0 11 16 1 0 11 12 1 0 12 13 2 0 13 14 1 0 13 21 1 0 14 15 2 0 14 19 1 0 15 16 1 0 16 17 2 0 17 18 1 0 19 20 1 0 21 22 1 0 M END > ZINC00008074 > 4 $$$$ SciTegic07110717462D 22 24 0 0 0 0 999 V2000 -3.9067 3.0027 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9067 -3.0027 0.0000 C 0 0 3.8926 1.4990 0.0000 C 0 0 3.8904 2.9990 0.0000 C 0 0 5.1883 3.7510 0.0000 C 0 0 6.4885 3.0029 0.0000 C 0 0 6.4908 1.5029 0.0000 C 0 0 5.1929 0.7510 0.0000 C 0 0 7.5309 0.9045 0.0000 F 0 0 7.5268 3.6045 0.0000 F 0 0 1 2 1 0 2 3 1 0 3 12 2 0 3 4 1 0 4 5 2 0 5 10 1 0 5 6 1 0 6 7 2 0 7 8 1 0 7 15 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 18 22 1 0 19 20 1 0 19 21 1 0 M END > ZINC03834040 > 4 $$$$ SciTegic07110717462D 23 25 0 0 0 0 999 V2000 -3.9067 3.0027 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9067 -3.0027 0.0000 C 0 0 3.8926 1.4990 0.0000 C 0 0 3.8904 2.9990 0.0000 C 0 0 5.1883 3.7510 0.0000 C 0 0 6.4885 3.0029 0.0000 C 0 0 6.4908 1.5029 0.0000 C 0 0 5.1929 0.7510 0.0000 C 0 0 7.7886 3.7527 0.0000 N 0 3 8.8279 3.1528 0.0000 O 0 0 7.7889 4.9527 0.0000 O 0 5 1 2 1 0 2 3 1 0 3 12 2 0 3 4 1 0 4 5 2 0 5 10 1 0 5 6 1 0 6 7 2 0 7 8 1 0 7 15 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 18 21 1 0 19 20 1 0 21 22 2 0 21 23 1 0 M CHG 2 21 1 23 -1 M END > ZINC03834037 > 4 $$$$ SciTegic07110717462D 23 25 0 0 0 0 999 V2000 -7.8054 5.2540 0.0000 C 0 0 -7.8065 3.7531 0.0000 O 0 0 -6.5078 3.0010 0.0000 C 0 0 -5.2092 3.7519 0.0000 C 0 0 -3.9097 3.0028 0.0000 C 0 0 -3.9086 1.5029 0.0000 C 0 0 -5.2071 0.7519 0.0000 C 0 0 -6.5067 1.5010 0.0000 C 0 0 -7.5455 0.9002 0.0000 F 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 3.8911 -1.5017 0.0000 O 0 0 3.8890 -3.0026 0.0000 C 0 0 3.8942 1.4964 0.0000 O 0 0 5.1929 0.7441 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 10 1 0 7 8 1 0 8 9 1 0 10 19 2 0 10 11 1 0 11 12 2 0 12 17 1 0 12 13 1 0 13 14 2 0 14 15 1 0 14 22 1 0 15 16 2 0 15 20 1 0 16 17 1 0 17 18 2 0 18 19 1 0 20 21 1 0 22 23 1 0 M END > ZINC00008077 > 4 $$$$ SciTegic07110717462D 23 25 0 0 0 0 999 V2000 -5.2103 5.2527 0.0000 C 0 0 -5.2092 3.7519 0.0000 C 0 0 -3.9097 3.0028 0.0000 C 0 0 -3.9086 1.5029 0.0000 C 0 0 -5.2071 0.7519 0.0000 C 0 0 -6.5067 1.5010 0.0000 C 0 0 -6.5078 3.0010 0.0000 C 0 0 -7.8096 3.7478 0.0000 O 0 0 -9.1077 2.9946 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 3.8911 -1.5017 0.0000 O 0 0 3.8890 -3.0026 0.0000 C 0 0 3.8942 1.4964 0.0000 O 0 0 5.1929 0.7441 0.0000 C 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 4 10 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 1 0 10 19 2 0 10 11 1 0 11 12 2 0 12 17 1 0 12 13 1 0 13 14 2 0 14 15 1 0 14 22 1 0 15 16 2 0 15 20 1 0 16 17 1 0 17 18 2 0 18 19 1 0 20 21 1 0 22 23 1 0 M END > ZINC03832248 > 4 $$$$ SciTegic07110717462D 24 26 0 0 0 0 999 V2000 -3.9067 3.0027 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9067 -3.0027 0.0000 C 0 0 3.8926 1.4990 0.0000 C 0 0 3.8904 2.9990 0.0000 C 0 0 5.1883 3.7510 0.0000 C 0 0 6.4885 3.0029 0.0000 C 0 0 6.4908 1.5029 0.0000 C 0 0 5.1929 0.7510 0.0000 C 0 0 7.5309 0.9045 0.0000 F 0 0 7.7886 3.7527 0.0000 O 0 0 9.0885 3.0024 0.0000 C 0 0 5.1865 4.9510 0.0000 F 0 0 1 2 1 0 2 3 1 0 3 12 2 0 3 4 1 0 4 5 2 0 5 10 1 0 5 6 1 0 6 7 2 0 7 8 1 0 7 15 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 17 24 1 0 18 19 2 0 18 22 1 0 19 20 1 0 19 21 1 0 22 23 1 0 M END > ZINC03834043 > 4 $$$$ SciTegic07110717462D 25 27 0 0 0 0 999 V2000 -7.8054 5.2540 0.0000 C 0 0 -7.8065 3.7531 0.0000 O 0 0 -6.5078 3.0010 0.0000 C 0 0 -5.2092 3.7519 0.0000 C 0 0 -3.9097 3.0028 0.0000 C 0 0 -3.9086 1.5029 0.0000 C 0 0 -5.2071 0.7519 0.0000 C 0 0 -6.5067 1.5010 0.0000 C 0 0 -7.8044 0.7470 0.0000 N 0 3 -7.8018 -0.4530 0.0000 O 0 0 -8.8451 1.3444 0.0000 O 0 5 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 3.8911 -1.5017 0.0000 O 0 0 3.8890 -3.0026 0.0000 C 0 0 3.8942 1.4964 0.0000 O 0 0 5.1929 0.7441 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 12 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 12 21 2 0 12 13 1 0 13 14 2 0 14 19 1 0 14 15 1 0 15 16 2 0 16 17 1 0 16 24 1 0 17 18 2 0 17 22 1 0 18 19 1 0 19 20 2 0 20 21 1 0 22 23 1 0 24 25 1 0 M CHG 2 9 1 11 -1 M END > ZINC03832241 > 4 $$$$ SciTegic07110717462D 25 27 0 0 0 0 999 V2000 -9.1031 7.5070 0.0000 C 0 0 -9.1041 6.0061 0.0000 C 0 0 -7.8054 5.2540 0.0000 O 0 0 -7.8065 3.7531 0.0000 C 0 0 -8.8464 3.1542 0.0000 O 0 0 -6.5078 3.0010 0.0000 C 0 0 -5.2092 3.7519 0.0000 C 0 0 -3.9097 3.0028 0.0000 C 0 0 -3.9086 1.5029 0.0000 C 0 0 -5.2071 0.7519 0.0000 C 0 0 -6.5067 1.5010 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 3.8911 -1.5017 0.0000 O 0 0 3.8890 -3.0026 0.0000 C 0 0 3.8942 1.4964 0.0000 O 0 0 5.1929 0.7441 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 4 6 1 0 6 11 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 12 1 0 10 11 1 0 12 21 2 0 12 13 1 0 13 14 2 0 14 19 1 0 14 15 1 0 15 16 2 0 16 17 1 0 16 24 1 0 17 18 2 0 17 22 1 0 18 19 1 0 19 20 2 0 20 21 1 0 22 23 1 0 24 25 1 0 M END > ZINC03832234 > 4 $$$$ SciTegic07110717462D 27 29 0 0 0 0 999 V2000 -6.5006 6.0101 0.0000 C 0 0 -5.2025 5.2568 0.0000 C 0 0 2 0 0 0 -3.9014 6.0048 0.0000 C 0 0 -5.1975 6.7868 0.0000 C 0 0 -5.2049 3.7560 0.0000 N 0 0 -3.9067 3.0027 0.0000 C 0 0 -2.8664 3.6008 0.0000 O 0 0 -3.9091 1.5019 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 N 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 3.8911 1.5017 0.0000 N 0 0 -3.9086 -1.5029 0.0000 C 0 0 -5.2071 -0.7519 0.0000 C 0 0 -6.5067 -1.5010 0.0000 C 0 0 -6.5078 -3.0010 0.0000 C 0 0 -5.2093 -3.7519 0.0000 C 0 0 -3.9097 -3.0028 0.0000 C 0 0 -2.8709 -3.6035 0.0000 Br 0 0 -5.2063 0.4481 0.0000 Cl 0 0 1 2 1 0 2 3 1 0 2 4 1 0 2 5 1 6 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 18 2 0 9 10 1 0 10 11 2 0 10 20 1 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 15 19 1 0 16 17 1 0 17 18 1 0 20 25 2 0 20 21 1 0 21 22 2 0 21 27 1 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 1 0 M END > ZINC03815526 > 4 $$$$ SciTegic07110717462D 27 29 0 0 0 0 999 V2000 -2.6105 3.7541 0.0000 C 0 0 -3.9097 3.0028 0.0000 C 0 0 -5.2093 3.7519 0.0000 C 0 0 -6.5078 3.0010 0.0000 C 0 0 -6.5067 1.5010 0.0000 C 0 0 -5.2071 0.7519 0.0000 C 0 0 -3.9086 1.5029 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7643 0.0000 C 0 0 -1.3190 -1.5204 0.0000 C 0 0 -1.3281 -3.0174 0.0000 C 0 0 -0.0360 -3.7735 0.0000 N 0 0 1.2651 -3.0326 0.0000 C 0 0 1.2742 -1.5356 0.0000 N 0 0 -0.0179 -0.7795 0.0000 C 0 0 -0.0089 0.7176 0.0000 N 0 0 -1.3100 1.4896 0.0000 C 0 0 -0.7852 2.8955 0.0000 N 0 0 0.6948 3.1450 0.0000 C 0 0 1.4589 2.2198 0.0000 O 0 0 1.2195 4.5511 0.0000 N 0 0 2.6995 4.8006 0.0000 C 0 0 1 0 0 0 3.2242 6.2067 0.0000 C 0 0 1.7274 5.9821 0.0000 C 0 0 3.6551 3.6435 0.0000 C 0 0 2.5620 -3.7881 0.0000 N 0 0 -5.2061 -0.7490 0.0000 C 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 27 1 0 7 8 1 0 8 17 2 0 8 9 1 0 9 10 2 0 10 15 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 26 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 22 21 1 6 22 23 1 0 22 24 1 0 22 25 1 0 M END > ZINC03815368 > 4 $$$$ SciTegic07110717462D 29 31 0 0 0 0 999 V2000 -1.2876 -2.9981 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 O 0 0 -3.9086 1.5029 0.0000 C 0 0 -3.8985 3.0029 0.0000 C 0 0 -5.1925 3.7616 0.0000 C 0 0 -6.4965 3.0203 0.0000 C 0 0 -6.5065 1.5203 0.0000 C 0 0 -5.2125 0.7617 0.0000 C 0 0 -5.2206 -0.4383 0.0000 Cl 0 0 -2.8553 3.5960 0.0000 Cl 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.8911 -1.5017 0.0000 N 0 0 3.8890 -3.0026 0.0000 C 0 0 5.1872 -3.7556 0.0000 C 0 0 5.1850 -5.2565 0.0000 C 0 0 6.4832 -6.0096 0.0000 C 0 0 6.4811 -7.5104 0.0000 C 0 0 7.7793 -8.2635 0.0000 C 0 0 7.7776 -9.4635 0.0000 O 0 0 8.8196 -7.6653 0.0000 O 0 5 1 2 1 0 2 7 1 0 2 3 1 0 3 20 2 0 3 4 1 0 4 5 1 0 4 17 2 0 5 6 2 0 6 7 1 0 6 9 1 0 7 8 2 0 9 14 2 0 9 10 1 0 10 11 2 0 10 16 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 M CHG 1 29 -1 M END > ZINC03815559 > 4 $$$$ SciTegic07110717462D 18 21 0 0 0 0 999 V2000 6.0451 -2.8982 0.0000 C 0 0 7.5129 -3.2074 0.0000 C 0 0 8.2606 -1.9070 0.0000 S 0 0 7.2549 -0.7941 0.0000 C 0 0 5.9046 -1.4175 0.0000 C 0 0 4.6043 -0.6682 0.0000 C 0 0 3.3044 -1.4214 0.0000 C 0 0 1.9924 -0.6682 0.0000 C 0 0 0.7168 -1.4214 0.0000 C 0 0 -0.5831 -0.6682 0.0000 C 0 0 -0.5831 0.8382 0.0000 C 0 0 0.7168 1.5915 0.0000 C 0 0 1.9924 0.8382 0.0000 C 0 0 3.3044 1.5915 0.0000 N 0 0 4.6043 0.8382 0.0000 C 0 0 -2.0045 1.2999 0.0000 O 0 0 -2.8792 0.0850 0.0000 C 0 0 -2.0045 -1.1298 0.0000 O 0 0 1 5 1 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 15 2 0 6 7 1 0 7 8 2 0 8 13 1 0 8 9 1 0 9 10 2 0 10 18 1 0 10 11 1 0 11 12 2 0 11 16 1 0 12 13 1 0 13 14 2 0 14 15 1 0 16 17 1 0 17 18 1 0 M END > ZINC03832255 > 5 $$$$ SciTegic07110717462D 18 20 0 0 0 0 999 V2000 -7.8028 5.2564 0.0000 C 0 0 -6.5036 6.0062 0.0000 C 0 0 -5.2047 5.2560 0.0000 C 0 0 -5.2049 3.7560 0.0000 C 0 0 -6.5041 3.0062 0.0000 C 0 0 -7.8030 3.7564 0.0000 C 0 0 -3.9067 3.0027 0.0000 C 0 0 -3.9091 1.5019 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 8 2 0 8 9 1 0 9 18 2 0 9 10 1 0 10 11 2 0 11 16 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 M END > ZINC03832235 > 6 $$$$ SciTegic07110717462D 22 24 0 0 0 0 999 V2000 -3.9067 3.0027 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9067 -3.0027 0.0000 C 0 0 3.8942 1.4964 0.0000 C 0 0 5.1929 0.7441 0.0000 C 0 0 6.4942 1.4919 0.0000 C 0 0 6.4943 2.9919 0.0000 C 0 0 7.7933 3.7419 0.0000 C 0 0 9.0923 2.9919 0.0000 C 0 0 9.0923 1.4919 0.0000 C 0 0 7.7933 0.7419 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 12 2 0 3 4 1 0 4 5 2 0 5 10 1 0 5 6 1 0 6 7 2 0 7 8 1 0 7 15 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 15 16 2 0 16 17 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 M END > ZINC03834019 > 6 $$$$ SciTegic07110717462D 22 24 0 0 0 0 999 V2000 -3.9067 3.0027 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9067 -3.0027 0.0000 C 0 0 3.8942 1.4964 0.0000 O 0 0 5.1929 0.7441 0.0000 C 0 0 6.4942 1.4919 0.0000 C 0 0 6.4972 2.9919 0.0000 C 0 0 7.7978 3.7392 0.0000 C 0 0 9.0953 2.9865 0.0000 C 0 0 9.0922 1.4865 0.0000 C 0 0 7.7917 0.7392 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 12 2 0 3 4 1 0 4 5 2 0 5 10 1 0 5 6 1 0 6 7 2 0 7 8 1 0 7 15 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 15 16 1 0 16 17 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 M END > ZINC03834031 > 6 $$$$ SciTegic07110717462D 22 24 0 0 0 0 999 V2000 -3.9067 3.0027 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9067 -3.0027 0.0000 C 0 0 3.8942 1.4964 0.0000 N 0 0 5.1929 0.7441 0.0000 C 0 0 6.4942 1.4919 0.0000 C 0 0 6.4972 2.9919 0.0000 C 0 0 7.7978 3.7392 0.0000 C 0 0 9.0953 2.9865 0.0000 C 0 0 9.0922 1.4865 0.0000 C 0 0 7.7917 0.7392 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 12 2 0 3 4 1 0 4 5 2 0 5 10 1 0 5 6 1 0 6 7 2 0 7 8 1 0 7 15 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 15 16 1 0 16 17 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 M END > ZINC03834030 > 6 $$$$ SciTegic07110717462D 22 24 0 0 0 0 999 V2000 -3.9067 3.0027 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9067 -3.0027 0.0000 C 0 0 3.8926 1.4991 0.0000 C 0 0 5.1924 2.2495 0.0000 C 0 0 6.4921 2.9999 0.0000 C 0 0 6.4921 4.4999 0.0000 C 0 0 7.7912 5.2499 0.0000 C 0 0 9.0902 4.4999 0.0000 C 0 0 9.0902 2.9999 0.0000 C 0 0 7.7912 2.2499 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 12 2 0 3 4 1 0 4 5 2 0 5 10 1 0 5 6 1 0 6 7 2 0 7 8 1 0 7 15 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 15 16 3 0 16 17 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 M END > ZINC03834029 > 6 $$$$ SciTegic07110717462D 24 26 0 0 0 0 999 V2000 -9.0985 7.5105 0.0000 C 0 0 -9.1009 6.0097 0.0000 O 0 0 -7.8028 5.2564 0.0000 C 0 0 -6.5036 6.0062 0.0000 C 0 0 -5.2047 5.2560 0.0000 C 0 0 -5.2049 3.7560 0.0000 C 0 0 -6.5041 3.0062 0.0000 C 0 0 -7.8030 3.7564 0.0000 C 0 0 -3.9067 3.0027 0.0000 C 0 0 -3.9091 1.5019 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 3.8911 -1.5017 0.0000 O 0 0 3.8890 -3.0026 0.0000 C 0 0 3.8942 1.4964 0.0000 O 0 0 5.1929 0.7441 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 9 1 0 7 8 1 0 9 10 2 0 10 11 1 0 11 20 2 0 11 12 1 0 12 13 2 0 13 18 1 0 13 14 1 0 14 15 2 0 15 16 1 0 15 23 1 0 16 17 2 0 16 21 1 0 17 18 1 0 18 19 2 0 19 20 1 0 21 22 1 0 23 24 1 0 M END > ZINC03832228 > 6 $$$$ SciTegic07110717462D 24 26 0 0 0 0 999 V2000 -10.4089 5.2468 0.0000 C 0 0 -9.1101 5.9989 0.0000 O 0 0 -7.8089 5.2510 0.0000 C 0 0 -7.8091 3.7510 0.0000 C 0 0 -6.5102 3.0008 0.0000 C 0 0 -5.2110 3.7506 0.0000 C 0 0 -5.2108 5.2506 0.0000 C 0 0 -6.5098 6.0008 0.0000 C 0 0 -3.9114 3.0001 0.0000 C 0 0 -3.9106 1.4992 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 3.8911 -1.5017 0.0000 O 0 0 3.8890 -3.0026 0.0000 C 0 0 3.8942 1.4964 0.0000 O 0 0 5.1929 0.7441 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 9 1 0 7 8 1 0 9 10 1 0 10 11 1 0 11 20 2 0 11 12 1 0 12 13 2 0 13 18 1 0 13 14 1 0 14 15 2 0 15 16 1 0 15 23 1 0 16 17 2 0 16 21 1 0 17 18 1 0 18 19 2 0 19 20 1 0 21 22 1 0 23 24 1 0 M END > ZINC03832256 > 6 $$$$ SciTegic07110717462D 20 23 0 0 0 0 999 V2000 2.8877 5.5424 0.0000 C 0 0 3.9698 4.5036 0.0000 C 0 0 3.6113 3.0471 0.0000 C 0 0 2.1749 2.6315 0.0000 C 0 0 1.0885 3.6681 0.0000 C 0 0 1.4470 5.1246 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -3.6187 -1.4919 0.0000 O 0 0 -3.6267 -2.9927 0.0000 C 0 0 -4.9300 -3.7369 0.0000 C 0 0 2 0 0 0 -6.3150 -3.7968 0.0000 C 0 0 -5.5586 -2.5014 0.0000 O 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 11 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 1 0 18 17 1 6 18 20 1 0 18 19 1 0 19 20 1 0 M END > ZINC03832251 > 7 $$$$ SciTegic07110717462D 20 23 0 0 0 0 999 V2000 2.8877 5.5424 0.0000 C 0 0 3.9698 4.5036 0.0000 C 0 0 3.6113 3.0471 0.0000 C 0 0 2.1749 2.6315 0.0000 C 0 0 1.0885 3.6681 0.0000 C 0 0 1.4470 5.1246 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -3.6187 -1.4919 0.0000 O 0 0 -3.6267 -2.9927 0.0000 C 0 0 -4.9300 -3.7369 0.0000 C 0 0 1 0 0 0 -6.3150 -3.7968 0.0000 C 0 0 -5.5586 -2.5014 0.0000 O 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 11 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 1 0 18 17 1 1 18 20 1 0 18 19 1 0 19 20 1 0 M END > ZINC04628820 > 7 $$$$ SciTegic07110717462D 21 24 0 0 0 0 999 V2000 -2.3155 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -3.3560 -1.3452 0.0000 Br 0 0 1.7138 -1.2033 0.0000 C 0 0 2.1855 -2.6254 0.0000 C 0 0 3.6552 -2.9294 0.0000 C 0 0 4.7467 -1.9163 0.0000 C 0 0 6.0413 -2.6606 0.0000 C 0 0 5.7273 -4.1223 0.0000 C 0 0 4.2412 -4.2692 0.0000 N 0 0 6.8321 -5.1428 0.0000 C 0 0 8.2764 -4.6699 0.0000 C 0 0 8.5904 -3.2082 0.0000 C 0 0 7.4678 -2.1838 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 3.7889 0.0269 0.0000 O 0 0 1.7138 1.2033 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 21 1 0 3 4 1 0 4 5 2 0 4 8 1 0 5 6 1 0 6 7 1 0 8 9 2 0 8 19 1 0 9 10 1 0 10 14 1 0 10 11 2 0 11 12 1 0 12 18 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 19 20 2 0 19 21 1 0 M END > ZINC03834050 > 8 $$$$ SciTegic07110717462D 25 28 0 0 0 0 999 V2000 -2.6917 2.5394 0.0000 C 0 0 -3.2930 3.9082 0.0000 C 0 0 -2.3991 5.1373 0.0000 C 0 0 -0.9060 4.9568 0.0000 C 0 0 -0.3047 3.5881 0.0000 C 0 0 -1.1819 2.3663 0.0000 C 0 0 1.1806 3.7427 0.0000 C 0 0 2.1812 2.6271 0.0000 C 0 0 3.6500 2.9355 0.0000 C 0 0 4.7446 1.9258 0.0000 C 0 0 6.0370 2.6741 0.0000 C 0 0 5.7185 4.1348 0.0000 C 0 0 4.2319 4.2772 0.0000 N 0 0 6.8201 5.1587 0.0000 C 0 0 8.2658 4.6901 0.0000 C 0 0 8.5843 3.2294 0.0000 C 0 0 7.4648 2.2016 0.0000 C 0 0 4.5791 0.4368 0.0000 C 0 0 3.2048 -0.1663 0.0000 C 0 0 3.0389 -1.6579 0.0000 C 0 0 1.9401 -2.1402 0.0000 O 0 0 1.5052 5.1797 0.0000 C 0 0 2.6073 5.6544 0.0000 O 0 0 0.2127 5.9461 0.0000 N 0 0 4.0058 -2.3688 0.0000 O 0 5 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 24 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 2 0 7 22 1 0 8 9 1 0 9 13 1 0 9 10 2 0 10 11 1 0 10 18 1 0 11 17 1 0 11 12 2 0 12 13 1 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 25 1 0 22 23 2 0 22 24 1 0 M CHG 1 25 -1 M END > ZINC03815538 > 8 $$$$ SciTegic07110717462D 26 29 0 0 0 0 999 V2000 -3.2842 -3.9357 0.0000 C 0 0 -2.3831 -5.1594 0.0000 C 0 0 -0.8910 -4.9701 0.0000 C 0 0 -0.2979 -3.5977 0.0000 C 0 0 -1.1823 -2.3813 0.0000 C 0 0 -2.6911 -2.5634 0.0000 C 0 0 -3.4091 -1.6019 0.0000 Br 0 0 1.1883 -3.7436 0.0000 C 0 0 2.1855 -2.6254 0.0000 C 0 0 3.6552 -2.9294 0.0000 C 0 0 4.7467 -1.9163 0.0000 C 0 0 6.0413 -2.6606 0.0000 C 0 0 5.7273 -4.1223 0.0000 C 0 0 4.2412 -4.2692 0.0000 N 0 0 6.8321 -5.1428 0.0000 C 0 0 8.2764 -4.6699 0.0000 C 0 0 8.5904 -3.2082 0.0000 C 0 0 7.4678 -2.1838 0.0000 C 0 0 4.5766 -0.4278 0.0000 C 0 0 3.2005 0.1711 0.0000 C 0 0 3.0301 1.6622 0.0000 C 0 0 1.9298 2.1410 0.0000 O 0 0 1.5070 -5.2120 0.0000 C 0 0 2.6051 -5.6961 0.0000 O 0 0 0.2335 -5.9527 0.0000 N 0 0 3.9947 2.3760 0.0000 O 0 5 1 6 2 0 1 2 1 0 2 3 2 0 3 25 1 0 3 4 1 0 4 5 2 0 4 8 1 0 5 6 1 0 6 7 1 0 8 9 2 0 8 23 1 0 9 10 1 0 10 14 1 0 10 11 2 0 11 12 1 0 11 19 1 0 12 18 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 26 1 0 23 24 2 0 23 25 1 0 M CHG 1 26 -1 M END > ZINC03815537 > 8 $$$$ SciTegic07110717462D 28 31 0 0 0 0 999 V2000 -3.2842 -3.9357 0.0000 C 0 0 -2.3831 -5.1594 0.0000 C 0 0 -0.8910 -4.9701 0.0000 C 0 0 -0.2979 -3.5977 0.0000 C 0 0 -1.1823 -2.3813 0.0000 C 0 0 -2.6911 -2.5634 0.0000 C 0 0 -3.5920 -1.3630 0.0000 C 0 0 -3.1218 -0.2590 0.0000 O 0 0 1.1883 -3.7436 0.0000 C 0 0 2.1855 -2.6254 0.0000 C 0 0 3.6552 -2.9294 0.0000 C 0 0 4.7467 -1.9163 0.0000 C 0 0 6.0413 -2.6606 0.0000 C 0 0 5.7273 -4.1223 0.0000 C 0 0 4.2412 -4.2692 0.0000 N 0 0 6.8321 -5.1428 0.0000 C 0 0 8.2764 -4.6699 0.0000 C 0 0 8.5904 -3.2082 0.0000 C 0 0 7.4678 -2.1838 0.0000 C 0 0 4.5766 -0.4278 0.0000 C 0 0 3.2005 0.1711 0.0000 C 0 0 3.0301 1.6622 0.0000 C 0 0 1.9298 2.1410 0.0000 O 0 0 1.5070 -5.2120 0.0000 C 0 0 2.6051 -5.6961 0.0000 O 0 0 0.2335 -5.9527 0.0000 N 0 0 -4.7833 -1.5075 0.0000 O 0 5 3.9947 2.3760 0.0000 O 0 5 1 6 2 0 1 2 1 0 2 3 2 0 3 26 1 0 3 4 1 0 4 5 2 0 4 9 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 27 1 0 9 10 2 0 9 24 1 0 10 11 1 0 11 15 1 0 11 12 2 0 12 13 1 0 12 20 1 0 13 19 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 28 1 0 24 25 2 0 24 26 1 0 M CHG 2 27 -1 28 -1 M END > ZINC03815532 > 8 $$$$ SciTegic07110717462D 29 32 0 0 0 0 999 V2000 -3.2842 -3.9357 0.0000 C 0 0 -2.3831 -5.1594 0.0000 C 0 0 -0.8910 -4.9701 0.0000 C 0 0 -0.2979 -3.5977 0.0000 C 0 0 -1.1823 -2.3813 0.0000 C 0 0 -2.6911 -2.5634 0.0000 C 0 0 -3.5945 -1.3649 0.0000 S 0 0 1 0 0 0 -3.1255 -0.2603 0.0000 O 0 0 -4.3164 -0.4064 0.0000 O 0 0 -5.0842 -1.5472 0.0000 N 0 0 1.1883 -3.7436 0.0000 C 0 0 2.1855 -2.6254 0.0000 C 0 0 3.6552 -2.9294 0.0000 C 0 0 4.7467 -1.9163 0.0000 C 0 0 6.0413 -2.6606 0.0000 C 0 0 5.7273 -4.1223 0.0000 C 0 0 4.2412 -4.2692 0.0000 N 0 0 6.8321 -5.1428 0.0000 C 0 0 8.2764 -4.6699 0.0000 C 0 0 8.5904 -3.2082 0.0000 C 0 0 7.4678 -2.1838 0.0000 C 0 0 4.5766 -0.4278 0.0000 C 0 0 3.2005 0.1711 0.0000 C 0 0 3.0301 1.6622 0.0000 C 0 0 1.9298 2.1410 0.0000 O 0 0 1.5070 -5.2120 0.0000 C 0 0 2.6051 -5.6961 0.0000 O 0 0 0.2335 -5.9527 0.0000 N 0 0 3.9947 2.3760 0.0000 O 0 5 1 6 2 0 1 2 1 0 2 3 2 0 3 28 1 0 3 4 1 0 4 5 2 0 4 11 1 0 5 6 1 0 7 6 1 6 7 8 2 0 7 9 2 0 7 10 1 0 11 12 2 0 11 26 1 0 12 13 1 0 13 17 1 0 13 14 2 0 14 15 1 0 14 22 1 0 15 21 1 0 15 16 2 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 29 1 0 26 27 2 0 26 28 1 0 M CHG 1 29 -1 M END > ZINC03815527 > 8 $$$$ SciTegic07110717462D 21 23 0 0 0 0 999 V2000 -2.6917 2.5394 0.0000 C 0 0 -3.2930 3.9082 0.0000 C 0 0 -2.3991 5.1373 0.0000 C 0 0 -0.9060 4.9568 0.0000 C 0 0 -0.3047 3.5881 0.0000 C 0 0 -1.1819 2.3663 0.0000 C 0 0 1.1806 3.7427 0.0000 C 0 0 2.1812 2.6271 0.0000 C 0 0 3.6500 2.9355 0.0000 C 0 0 4.7388 1.9224 0.0000 C 0 0 6.0412 2.6666 0.0000 C 0 0 5.7359 4.1352 0.0000 C 0 0 4.2449 4.2986 0.0000 N 0 0 4.5642 0.4344 0.0000 C 0 0 3.1861 -0.1601 0.0000 C 0 0 3.0111 -1.6507 0.0000 C 0 0 1.9092 -2.1261 0.0000 O 0 0 1.5052 5.1797 0.0000 C 0 0 2.6073 5.6544 0.0000 O 0 0 0.2127 5.9461 0.0000 N 0 0 3.9734 -2.3675 0.0000 O 0 5 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 20 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 2 0 7 18 1 0 8 9 1 0 9 13 1 0 9 10 2 0 10 11 1 0 10 14 1 0 11 12 2 0 12 13 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 21 1 0 18 19 2 0 18 20 1 0 M CHG 1 21 -1 M END > ZINC03815484 > 9 $$$$ SciTegic07110717462D 22 24 0 0 0 0 999 V2000 3.4916 5.5937 0.0000 C 0 0 4.2449 4.2986 0.0000 C 0 0 5.7359 4.1352 0.0000 C 0 0 6.0412 2.6666 0.0000 C 0 0 4.7388 1.9224 0.0000 N 0 0 3.6500 2.9355 0.0000 C 0 0 2.1812 2.6271 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 3.7889 0.0269 0.0000 O 0 0 6.7434 5.2441 0.0000 C 0 0 6.2869 6.6738 0.0000 C 0 0 7.2962 7.7846 0.0000 C 0 0 6.9312 8.9278 0.0000 O 0 0 8.4687 7.5295 0.0000 O 0 5 1 2 1 0 2 6 2 0 2 3 1 0 3 4 2 0 3 18 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 16 1 0 8 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 M CHG 1 22 -1 M END > ZINC03834038 > 9 $$$$ SciTegic07110717462D 22 24 0 0 0 0 999 V2000 7.4072 2.0511 0.0000 C 0 0 6.0412 2.6666 0.0000 C 0 0 5.7359 4.1352 0.0000 C 0 0 4.2449 4.2986 0.0000 N 0 0 3.6500 2.9355 0.0000 C 0 0 4.7388 1.9224 0.0000 C 0 0 4.5642 0.4344 0.0000 C 0 0 5.7669 -0.4632 0.0000 C 0 0 5.5919 -1.9538 0.0000 C 0 0 6.5536 -2.6715 0.0000 O 0 0 2.1812 2.6271 0.0000 C 0 0 1.1806 3.7427 0.0000 C 0 0 -0.3047 3.5881 0.0000 C 0 0 -1.1819 2.3663 0.0000 C 0 0 -2.6917 2.5394 0.0000 C 0 0 -3.2930 3.9082 0.0000 C 0 0 -2.3991 5.1373 0.0000 C 0 0 -0.9060 4.9568 0.0000 C 0 0 0.2127 5.9461 0.0000 N 0 0 1.5052 5.1797 0.0000 C 0 0 2.4236 5.5753 0.0000 O 0 0 4.4896 -2.4281 0.0000 O 0 5 1 2 1 0 2 6 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 2 0 5 11 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 22 1 0 11 12 2 0 12 20 1 0 12 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 M CHG 1 22 -1 M END > ZINC03815485 > 9 $$$$ SciTegic07110717462D 23 25 0 0 0 0 999 V2000 3.4916 5.5937 0.0000 C 0 0 4.2449 4.2986 0.0000 C 0 0 5.7359 4.1352 0.0000 C 0 0 6.0412 2.6666 0.0000 C 0 0 4.7388 1.9224 0.0000 N 0 0 3.6500 2.9355 0.0000 C 0 0 2.1812 2.6271 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 3.7889 0.0269 0.0000 O 0 0 7.4072 2.0511 0.0000 C 0 0 6.7434 5.2441 0.0000 C 0 0 6.2869 6.6738 0.0000 C 0 0 7.2962 7.7846 0.0000 C 0 0 6.9312 8.9278 0.0000 O 0 0 8.4687 7.5295 0.0000 O 0 5 1 2 1 0 2 6 2 0 2 3 1 0 3 4 2 0 3 19 1 0 4 5 1 0 4 18 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 16 1 0 8 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 M CHG 1 23 -1 M END > ZINC03834032 > 9 $$$$ SciTegic07110717462D 23 25 0 0 0 0 999 V2000 7.4072 2.0511 0.0000 C 0 0 6.0412 2.6666 0.0000 C 0 0 5.7359 4.1352 0.0000 C 0 0 4.2449 4.2986 0.0000 N 0 0 3.6500 2.9355 0.0000 C 0 0 4.7388 1.9224 0.0000 C 0 0 4.5642 0.4344 0.0000 C 0 0 5.7669 -0.4632 0.0000 C 0 0 5.5919 -1.9538 0.0000 C 0 0 6.5536 -2.6715 0.0000 O 0 0 2.1812 2.6271 0.0000 C 0 0 1.1806 3.7427 0.0000 C 0 0 -0.3047 3.5881 0.0000 C 0 0 -1.1819 2.3663 0.0000 C 0 0 -2.6917 2.5394 0.0000 C 0 0 -3.2930 3.9082 0.0000 C 0 0 -2.3991 5.1373 0.0000 C 0 0 -0.9060 4.9568 0.0000 C 0 0 0.2127 5.9461 0.0000 N 0 0 1.5052 5.1797 0.0000 C 0 0 2.4236 5.5753 0.0000 O 0 0 -3.4040 1.5737 0.0000 Br 0 0 4.4896 -2.4281 0.0000 O 0 5 1 2 1 0 2 6 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 2 0 5 11 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 23 1 0 11 12 2 0 12 20 1 0 12 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 15 22 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 M CHG 1 23 -1 M END > ZINC03815504 > 9 $$$$ SciTegic07110717462D 24 26 0 0 0 0 999 V2000 3.4916 5.5937 0.0000 C 0 0 4.2449 4.2986 0.0000 C 0 0 5.7359 4.1352 0.0000 C 0 0 6.0412 2.6666 0.0000 C 0 0 4.7388 1.9224 0.0000 N 0 0 3.6500 2.9355 0.0000 C 0 0 2.1812 2.6271 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 3.7889 0.0269 0.0000 O 0 0 -3.3560 1.3452 0.0000 Br 0 0 7.4072 2.0511 0.0000 C 0 0 6.7434 5.2441 0.0000 C 0 0 6.2869 6.6738 0.0000 C 0 0 7.2962 7.7846 0.0000 C 0 0 6.9312 8.9278 0.0000 O 0 0 8.4687 7.5295 0.0000 O 0 5 1 2 1 0 2 6 2 0 2 3 1 0 3 4 2 0 3 20 1 0 4 5 1 0 4 19 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 16 1 0 8 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 11 18 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 M CHG 1 24 -1 M END > ZINC03834033 > 9 $$$$ SciTegic07110717462D 24 26 0 0 0 0 999 V2000 3.4916 5.5937 0.0000 C 0 0 4.2449 4.2986 0.0000 C 0 0 5.7359 4.1352 0.0000 C 0 0 6.0412 2.6666 0.0000 C 0 0 4.7388 1.9224 0.0000 N 0 0 3.6500 2.9355 0.0000 C 0 0 2.1812 2.6271 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 3.7889 0.0269 0.0000 O 0 0 -3.6187 -1.4919 0.0000 O 0 0 -3.6267 -2.9927 0.0000 C 0 0 6.7434 5.2441 0.0000 C 0 0 6.2869 6.6738 0.0000 C 0 0 7.2962 7.7846 0.0000 C 0 0 6.9312 8.9278 0.0000 O 0 0 8.4687 7.5295 0.0000 O 0 5 1 2 1 0 2 6 2 0 2 3 1 0 3 4 2 0 3 20 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 16 1 0 8 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 12 18 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 18 19 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 M CHG 1 24 -1 M END > ZINC03834039 > 9 $$$$ SciTegic07110717462D 25 27 0 0 0 0 999 V2000 3.4916 5.5937 0.0000 C 0 0 4.2449 4.2986 0.0000 C 0 0 5.7359 4.1352 0.0000 C 0 0 6.0412 2.6666 0.0000 C 0 0 4.7388 1.9224 0.0000 N 0 0 3.6500 2.9355 0.0000 C 0 0 2.1812 2.6271 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 3.7889 0.0269 0.0000 O 0 0 -3.6187 -1.4919 0.0000 O 0 0 -3.6267 -2.9927 0.0000 C 0 0 7.4072 2.0511 0.0000 C 0 0 6.7434 5.2441 0.0000 C 0 0 6.2869 6.6738 0.0000 C 0 0 7.2962 7.7846 0.0000 C 0 0 6.9312 8.9278 0.0000 O 0 0 8.4687 7.5295 0.0000 O 0 5 1 2 1 0 2 6 2 0 2 3 1 0 3 4 2 0 3 21 1 0 4 5 1 0 4 20 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 16 1 0 8 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 12 18 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 18 19 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 M CHG 1 25 -1 M END > ZINC03834047 > 9 $$$$ SciTegic07110717462D 23 26 0 0 0 0 999 V2000 -3.9067 3.0027 0.0000 C 0 0 -3.9091 1.5019 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9067 -3.0027 0.0000 C 0 0 3.8926 1.4990 0.0000 C 0 0 4.0162 2.9568 0.0000 C 0 0 5.4834 3.2811 0.0000 N 0 0 6.2370 1.9918 0.0000 C 0 0 5.2382 0.8794 0.0000 C 0 0 5.6898 -0.5552 0.0000 C 0 0 7.1781 -0.8624 0.0000 C 0 0 8.1770 0.2500 0.0000 C 0 0 7.7118 1.6968 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 12 2 0 3 4 1 0 4 5 2 0 5 10 1 0 5 6 1 0 6 7 2 0 7 8 1 0 7 15 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 15 19 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 M END > ZINC03834042 > 10 $$$$ SciTegic07110717462D 24 27 0 0 0 0 999 V2000 -15.8983 2.3337 0.0000 C 0 0 -16.5743 0.9946 0.0000 C 0 0 -15.7526 -0.2603 0.0000 C 0 0 -14.2597 -0.1756 0.0000 C 0 0 -13.5790 1.1629 0.0000 C 0 0 -14.4006 2.4178 0.0000 C 0 0 -13.3507 -1.3698 0.0000 N 0 0 -13.7829 -2.7781 0.0000 C 0 0 -12.5519 -3.6399 0.0000 N 0 0 -11.3617 -2.7380 0.0000 C 0 0 -11.8580 -1.3277 0.0000 C 0 0 -10.8910 -0.1757 0.0000 C 0 0 -9.3986 -0.4623 0.0000 C 0 0 -8.9024 -1.8726 0.0000 C 0 0 -9.8865 -3.0306 0.0000 C 0 0 -7.4260 -2.1422 0.0000 O 0 0 -6.9202 -3.5552 0.0000 C 0 0 -5.4438 -3.8247 0.0000 C 0 0 -3.6711 -4.4735 0.0000 C 0 0 -2.3760 -5.2302 0.0000 C 0 0 -2.3838 -6.7302 0.0000 O 0 0 -3.6867 -7.4734 0.0000 C 0 0 -4.9818 -6.7167 0.0000 C 0 0 -4.9380 -5.2378 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 11 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 1 0 18 24 1 0 19 20 1 0 19 24 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 M CHG 1 24 1 M END > ZINC03832263 > 11 $$$$ SciTegic07110717462D 24 27 0 0 0 0 999 V2000 -1.2876 -2.9981 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 O 0 0 -3.9086 1.5029 0.0000 C 0 0 -4.0363 2.9847 0.0000 C 0 0 -5.5014 3.3065 0.0000 C 0 0 -6.2601 2.0125 0.0000 S 0 0 -5.2640 0.8910 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.8911 -1.5017 0.0000 N 0 0 3.8890 -3.0026 0.0000 C 0 0 2.5873 -3.7482 0.0000 C 0 0 2.5821 -5.2482 0.0000 C 0 0 3.8786 -6.0026 0.0000 N 0 0 5.1802 -5.2571 0.0000 C 0 0 5.1854 -3.7571 0.0000 C 0 0 1 2 1 0 2 7 1 0 2 3 1 0 3 17 2 0 3 4 1 0 4 5 1 0 4 14 2 0 5 6 2 0 6 7 1 0 6 9 1 0 7 8 2 0 9 13 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 14 15 1 0 15 16 2 0 16 17 1 0 16 18 1 0 18 19 1 0 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 M END > ZINC03832259 > 12 $$$$ SciTegic07110717462D 24 27 0 0 0 0 999 V2000 -1.2876 -2.9981 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 O 0 0 -3.9086 1.5029 0.0000 C 0 0 -5.2640 0.8910 0.0000 C 0 0 -6.2601 2.0125 0.0000 C 0 0 -5.5014 3.3065 0.0000 C 0 0 -4.0363 2.9847 0.0000 S 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.8911 -1.5017 0.0000 N 0 0 3.8890 -3.0026 0.0000 C 0 0 2.5873 -3.7482 0.0000 C 0 0 2.5821 -5.2482 0.0000 C 0 0 3.8786 -6.0026 0.0000 C 0 0 5.1802 -5.2571 0.0000 C 0 0 5.1854 -3.7571 0.0000 C 0 0 1 2 1 0 2 7 1 0 2 3 1 0 3 17 2 0 3 4 1 0 4 5 1 0 4 14 2 0 5 6 2 0 6 7 1 0 6 9 1 0 7 8 2 0 9 13 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 14 15 1 0 15 16 2 0 16 17 1 0 16 18 1 0 18 19 1 0 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 M END > ZINC03832268 > 12 $$$$ SciTegic07110717462D 24 27 0 0 0 0 999 V2000 -1.2876 -2.9981 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 O 0 0 -3.9086 1.5029 0.0000 C 0 0 -4.0363 2.9847 0.0000 C 0 0 -5.5014 3.3065 0.0000 C 0 0 -6.2601 2.0125 0.0000 S 0 0 -5.2640 0.8910 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.8911 -1.5017 0.0000 N 0 0 3.8890 -3.0026 0.0000 C 0 0 2.5873 -3.7482 0.0000 C 0 0 2.5821 -5.2482 0.0000 C 0 0 3.8786 -6.0026 0.0000 C 0 0 5.1802 -5.2571 0.0000 C 0 0 5.1854 -3.7571 0.0000 C 0 0 1 2 1 0 2 7 1 0 2 3 1 0 3 17 2 0 3 4 1 0 4 5 1 0 4 14 2 0 5 6 2 0 6 7 1 0 6 9 1 0 7 8 2 0 9 13 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 14 15 1 0 15 16 2 0 16 17 1 0 16 18 1 0 18 19 1 0 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 M END > ZINC03832266 > 12 $$$$ SciTegic07110717462D 25 28 0 0 0 0 999 V2000 -2.5824 -3.7570 0.0000 C 0 0 -1.2876 -2.9981 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 O 0 0 -3.9086 1.5029 0.0000 C 0 0 -4.0363 2.9847 0.0000 C 0 0 -5.5014 3.3065 0.0000 C 0 0 -6.2601 2.0125 0.0000 S 0 0 -5.2640 0.8910 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.8911 -1.5017 0.0000 N 0 0 3.8890 -3.0026 0.0000 C 0 0 2.5873 -3.7482 0.0000 C 0 0 2.5821 -5.2482 0.0000 C 0 0 3.8786 -6.0026 0.0000 C 0 0 5.1802 -5.2571 0.0000 C 0 0 5.1854 -3.7571 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 1 0 3 4 1 0 4 18 2 0 4 5 1 0 5 6 1 0 5 15 2 0 6 7 2 0 7 8 1 0 7 10 1 0 8 9 2 0 10 14 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 15 16 1 0 16 17 2 0 17 18 1 0 17 19 1 0 19 20 1 0 20 25 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 M END > ZINC03832257 > 12 $$$$ SciTegic07110717462D 31 34 0 0 0 0 999 V2000 -14.3029 -1.5241 0.0000 C 0 0 -13.0041 -0.7721 0.0000 C 0 0 -11.7007 -3.0209 0.0000 C 0 0 -12.9988 -3.7741 0.0000 C 0 0 -10.4041 -0.7681 0.0000 C 0 0 -9.1030 -1.5161 0.0000 O 0 0 -7.8042 -0.7641 0.0000 C 0 0 -7.8091 0.7359 0.0000 C 0 0 -6.5125 1.4901 0.0000 C 0 0 -5.2109 0.7445 0.0000 C 0 0 -5.2061 -0.7556 0.0000 C 0 0 -6.5027 -1.5098 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 N 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 3.6321 1.3486 0.0000 O 0 0 1.2964 1.4973 0.0000 N 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 2.9981 0.0000 C 0 0 3.8926 -1.4990 0.0000 C 0 0 4.0282 -2.9800 0.0000 C 0 0 5.4950 -3.2941 0.0000 C 0 0 6.2469 -1.9962 0.0000 S 0 0 5.2449 -0.8800 0.0000 C 0 0 -11.7030 -1.5201 0.0000 N 0 3 1 2 1 0 2 31 1 0 3 4 1 0 3 31 1 0 5 6 1 0 5 31 1 0 6 7 1 0 7 12 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 10 13 1 0 11 12 1 0 13 14 1 0 14 24 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 23 2 0 17 18 1 0 18 19 2 0 19 20 1 0 19 26 1 0 20 21 2 0 20 22 1 0 22 23 1 0 22 25 1 0 23 24 1 0 26 30 2 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 1 0 M CHG 1 31 1 M END > ZINC03832229 > 12 $$$$ SciTegic07110717462D 25 28 0 0 0 0 999 V2000 -1.2876 -2.9981 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 O 0 0 -3.9086 1.5029 0.0000 C 0 0 -3.8985 3.0029 0.0000 C 0 0 -5.1925 3.7616 0.0000 C 0 0 -6.4965 3.0203 0.0000 C 0 0 -6.5065 1.5203 0.0000 C 0 0 -5.2125 0.7617 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.8911 -1.5017 0.0000 N 0 0 3.8890 -3.0026 0.0000 C 0 0 2.5873 -3.7482 0.0000 C 0 0 2.5821 -5.2482 0.0000 C 0 0 3.8786 -6.0026 0.0000 C 0 0 5.1802 -5.2571 0.0000 C 0 0 5.1854 -3.7571 0.0000 C 0 0 1 2 1 0 2 7 1 0 2 3 1 0 3 18 2 0 3 4 1 0 4 5 1 0 4 15 2 0 5 6 2 0 6 7 1 0 6 9 1 0 7 8 2 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 15 16 1 0 16 17 2 0 17 18 1 0 17 19 1 0 19 20 1 0 20 25 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 M END > ZINC03832243 > 13 $$$$ SciTegic07110717462D 25 28 0 0 0 0 999 V2000 -1.2876 -2.9981 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 O 0 0 -3.9086 1.5029 0.0000 C 0 0 -3.8985 3.0029 0.0000 C 0 0 -5.1925 3.7616 0.0000 C 0 0 -6.4965 3.0203 0.0000 C 0 0 -6.5065 1.5203 0.0000 C 0 0 -5.2125 0.7617 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.8911 -1.5017 0.0000 N 0 0 3.8890 -3.0026 0.0000 C 0 0 2.5873 -3.7482 0.0000 C 0 0 2.5821 -5.2482 0.0000 C 0 0 3.8786 -6.0026 0.0000 N 0 0 5.1802 -5.2571 0.0000 C 0 0 5.1854 -3.7571 0.0000 C 0 0 1 2 1 0 2 7 1 0 2 3 1 0 3 18 2 0 3 4 1 0 4 5 1 0 4 15 2 0 5 6 2 0 6 7 1 0 6 9 1 0 7 8 2 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 15 16 1 0 16 17 2 0 17 18 1 0 17 19 1 0 19 20 1 0 20 25 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 M END > ZINC03832250 > 13 $$$$ SciTegic07110717462D 26 29 0 0 0 0 999 V2000 -2.5824 -3.7570 0.0000 C 0 0 -1.2876 -2.9981 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 O 0 0 -3.9086 1.5029 0.0000 C 0 0 -3.8985 3.0029 0.0000 C 0 0 -5.1925 3.7616 0.0000 C 0 0 -6.4965 3.0203 0.0000 C 0 0 -6.5065 1.5203 0.0000 C 0 0 -5.2125 0.7617 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.8911 -1.5017 0.0000 N 0 0 3.8890 -3.0026 0.0000 C 0 0 2.5873 -3.7482 0.0000 C 0 0 2.5821 -5.2482 0.0000 C 0 0 3.8786 -6.0026 0.0000 N 0 0 5.1802 -5.2571 0.0000 C 0 0 5.1854 -3.7571 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 1 0 3 4 1 0 4 19 2 0 4 5 1 0 5 6 1 0 5 16 2 0 6 7 2 0 7 8 1 0 7 10 1 0 8 9 2 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 16 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 20 21 1 0 21 26 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 M END > ZINC03832231 > 13 $$$$ SciTegic07110717462D 26 29 0 0 0 0 999 V2000 -2.5824 -3.7570 0.0000 C 0 0 -1.2876 -2.9981 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 O 0 0 -3.9086 1.5029 0.0000 C 0 0 -3.8985 3.0029 0.0000 C 0 0 -5.1925 3.7616 0.0000 C 0 0 -6.4965 3.0203 0.0000 C 0 0 -6.5065 1.5203 0.0000 C 0 0 -5.2125 0.7617 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.8911 -1.5017 0.0000 N 0 0 3.8890 -3.0026 0.0000 C 0 0 2.5873 -3.7482 0.0000 C 0 0 2.5821 -5.2482 0.0000 C 0 0 3.8786 -6.0026 0.0000 C 0 0 5.1802 -5.2571 0.0000 C 0 0 5.1854 -3.7571 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 1 0 3 4 1 0 4 19 2 0 4 5 1 0 5 6 1 0 5 16 2 0 6 7 2 0 7 8 1 0 7 10 1 0 8 9 2 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 16 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 20 21 1 0 21 26 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 M END > ZINC03832238 > 13 $$$$ SciTegic07110717462D 27 30 0 0 0 0 999 V2000 -1.2876 -2.9981 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 O 0 0 -3.9086 1.5029 0.0000 C 0 0 -3.8985 3.0029 0.0000 C 0 0 -5.1925 3.7616 0.0000 C 0 0 -6.4965 3.0203 0.0000 C 0 0 -6.5065 1.5203 0.0000 C 0 0 -5.2125 0.7617 0.0000 C 0 0 -5.2206 -0.4383 0.0000 Cl 0 0 -2.8553 3.5960 0.0000 Cl 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.8911 -1.5017 0.0000 N 0 0 3.8890 -3.0026 0.0000 C 0 0 2.5873 -3.7482 0.0000 C 0 0 2.5821 -5.2482 0.0000 C 0 0 3.8786 -6.0026 0.0000 C 0 0 5.1802 -5.2571 0.0000 N 0 0 5.1854 -3.7571 0.0000 C 0 0 1 2 1 0 2 7 1 0 2 3 1 0 3 20 2 0 3 4 1 0 4 5 1 0 4 17 2 0 5 6 2 0 6 7 1 0 6 9 1 0 7 8 2 0 9 14 2 0 9 10 1 0 10 11 2 0 10 16 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 1 0 22 27 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 M END > ZINC03815354 > 13 $$$$ SciTegic07110717462D 27 30 0 0 0 0 999 V2000 -1.2876 -2.9981 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 O 0 0 -3.9086 1.5029 0.0000 C 0 0 -3.8985 3.0029 0.0000 C 0 0 -5.1925 3.7616 0.0000 C 0 0 -6.4965 3.0203 0.0000 C 0 0 -6.5065 1.5203 0.0000 C 0 0 -5.2125 0.7617 0.0000 C 0 0 -5.2206 -0.4383 0.0000 Cl 0 0 -2.8553 3.5960 0.0000 Cl 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.8911 -1.5017 0.0000 N 0 0 3.8890 -3.0026 0.0000 C 0 0 2.5873 -3.7482 0.0000 C 0 0 2.5821 -5.2482 0.0000 C 0 0 3.8786 -6.0026 0.0000 C 0 0 5.1802 -5.2571 0.0000 C 0 0 5.1854 -3.7571 0.0000 C 0 0 1 2 1 0 2 7 1 0 2 3 1 0 3 20 2 0 3 4 1 0 4 5 1 0 4 17 2 0 5 6 2 0 6 7 1 0 6 9 1 0 7 8 2 0 9 14 2 0 9 10 1 0 10 11 2 0 10 16 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 1 0 22 27 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 M END > ZINC00838734 > 13 $$$$ SciTegic07110717462D 27 30 0 0 0 0 999 V2000 -1.2876 -2.9981 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 O 0 0 -3.9086 1.5029 0.0000 C 0 0 -3.8985 3.0029 0.0000 C 0 0 -5.1925 3.7616 0.0000 C 0 0 -6.4965 3.0203 0.0000 C 0 0 -6.5065 1.5203 0.0000 C 0 0 -5.2125 0.7617 0.0000 C 0 0 -5.2206 -0.4383 0.0000 Cl 0 0 -2.8553 3.5960 0.0000 Cl 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.8911 -1.5017 0.0000 N 0 0 3.8890 -3.0026 0.0000 C 0 0 2.5873 -3.7482 0.0000 C 0 0 2.5821 -5.2482 0.0000 C 0 0 3.8786 -6.0026 0.0000 N 0 0 5.1802 -5.2571 0.0000 C 0 0 5.1854 -3.7571 0.0000 C 0 0 1 2 1 0 2 7 1 0 2 3 1 0 3 20 2 0 3 4 1 0 4 5 1 0 4 17 2 0 5 6 2 0 6 7 1 0 6 9 1 0 7 8 2 0 9 14 2 0 9 10 1 0 10 11 2 0 10 16 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 1 0 22 27 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 M END > ZINC00601820 > 13 $$$$ SciTegic07110717462D 28 31 0 0 0 0 999 V2000 -1.2876 -2.9981 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 O 0 0 -3.9086 1.5029 0.0000 C 0 0 -3.8985 3.0029 0.0000 C 0 0 -5.1925 3.7616 0.0000 C 0 0 -6.4965 3.0203 0.0000 C 0 0 -6.5065 1.5203 0.0000 C 0 0 -5.2125 0.7617 0.0000 C 0 0 -5.2206 -0.4383 0.0000 Cl 0 0 -2.8553 3.5960 0.0000 Cl 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.8911 -1.5017 0.0000 N 0 0 3.8890 -3.0026 0.0000 C 0 0 2.5873 -3.7482 0.0000 C 0 0 2.5821 -5.2482 0.0000 C 0 0 3.8786 -6.0026 0.0000 C 0 0 5.1802 -5.2571 0.0000 C 0 0 5.1854 -3.7571 0.0000 C 0 0 6.4789 -6.0094 0.0000 O 0 0 1 2 1 0 2 7 1 0 2 3 1 0 3 20 2 0 3 4 1 0 4 5 1 0 4 17 2 0 5 6 2 0 6 7 1 0 6 9 1 0 7 8 2 0 9 14 2 0 9 10 1 0 10 11 2 0 10 16 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 1 0 22 27 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 26 28 1 0 M END > ZINC03815288 > 13 $$$$ SciTegic07110717462D 28 31 0 0 0 0 999 V2000 -2.5824 -3.7570 0.0000 C 0 0 -1.2876 -2.9981 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 O 0 0 -3.9086 1.5029 0.0000 C 0 0 -3.8985 3.0029 0.0000 C 0 0 -5.1925 3.7616 0.0000 C 0 0 -6.4965 3.0203 0.0000 C 0 0 -6.5065 1.5203 0.0000 C 0 0 -5.2125 0.7617 0.0000 C 0 0 -5.2206 -0.4383 0.0000 Cl 0 0 -2.8553 3.5960 0.0000 Cl 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.8911 -1.5017 0.0000 N 0 0 3.8890 -3.0026 0.0000 C 0 0 2.5873 -3.7482 0.0000 C 0 0 2.5821 -5.2482 0.0000 C 0 0 3.8786 -6.0026 0.0000 N 0 0 5.1802 -5.2571 0.0000 C 0 0 5.1854 -3.7571 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 8 1 0 3 4 1 0 4 21 2 0 4 5 1 0 5 6 1 0 5 18 2 0 6 7 2 0 7 8 1 0 7 10 1 0 8 9 2 0 10 15 2 0 10 11 1 0 11 12 2 0 11 17 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 22 23 1 0 23 28 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 M END > ZINC03815350 > 13 $$$$ SciTegic07110717462D 28 31 0 0 0 0 999 V2000 -1.2876 -2.9981 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 O 0 0 -3.9086 1.5029 0.0000 C 0 0 -3.8985 3.0029 0.0000 C 0 0 -5.1925 3.7616 0.0000 C 0 0 -6.4965 3.0203 0.0000 C 0 0 -6.5065 1.5203 0.0000 C 0 0 -5.2125 0.7617 0.0000 C 0 0 -5.2206 -0.4383 0.0000 Cl 0 0 -2.8553 3.5960 0.0000 Cl 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.8911 -1.5017 0.0000 N 0 0 3.8890 -3.0026 0.0000 C 0 0 2.5873 -3.7482 0.0000 C 0 0 2.5821 -5.2482 0.0000 C 0 0 3.8786 -6.0026 0.0000 C 0 0 5.1802 -5.2571 0.0000 C 0 0 5.1854 -3.7571 0.0000 C 0 0 3.8765 -7.5035 0.0000 O 0 0 1 2 1 0 2 7 1 0 2 3 1 0 3 20 2 0 3 4 1 0 4 5 1 0 4 17 2 0 5 6 2 0 6 7 1 0 6 9 1 0 7 8 2 0 9 14 2 0 9 10 1 0 10 11 2 0 10 16 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 1 0 22 27 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 25 28 1 0 26 27 1 0 M END > ZINC03815520 > 13 $$$$ SciTegic07110717462D 29 32 0 0 0 0 999 V2000 -1.2876 -2.9981 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 O 0 0 -3.9086 1.5029 0.0000 C 0 0 -3.8985 3.0029 0.0000 C 0 0 -5.1925 3.7616 0.0000 C 0 0 -6.4965 3.0203 0.0000 C 0 0 -6.5065 1.5203 0.0000 C 0 0 -5.2125 0.7617 0.0000 C 0 0 -5.2206 -0.4383 0.0000 Cl 0 0 -2.8553 3.5960 0.0000 Cl 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.8911 -1.5017 0.0000 N 0 0 3.8890 -3.0026 0.0000 C 0 0 2.5873 -3.7482 0.0000 C 0 0 2.5821 -5.2482 0.0000 C 0 0 3.8786 -6.0026 0.0000 C 0 0 5.1802 -5.2571 0.0000 C 0 0 5.1854 -3.7571 0.0000 C 0 0 6.4773 -6.0120 0.0000 C 0 0 6.4731 -7.5129 0.0000 O 0 0 1 2 1 0 2 7 1 0 2 3 1 0 3 20 2 0 3 4 1 0 4 5 1 0 4 17 2 0 5 6 2 0 6 7 1 0 6 9 1 0 7 8 2 0 9 14 2 0 9 10 1 0 10 11 2 0 10 16 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 1 0 22 27 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 26 28 1 0 28 29 1 0 M END > ZINC02047503 > 13 $$$$ SciTegic07110717462D 29 32 0 0 0 0 999 V2000 -1.2876 -2.9981 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 O 0 0 -3.9086 1.5029 0.0000 C 0 0 -3.8985 3.0029 0.0000 C 0 0 -5.1925 3.7616 0.0000 C 0 0 -6.4965 3.0203 0.0000 C 0 0 -6.5065 1.5203 0.0000 C 0 0 -5.2125 0.7617 0.0000 C 0 0 -5.2206 -0.4383 0.0000 Cl 0 0 -2.8553 3.5960 0.0000 Cl 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.8911 -1.5017 0.0000 N 0 0 3.8890 -3.0026 0.0000 C 0 0 2.5873 -3.7482 0.0000 C 0 0 2.5821 -5.2482 0.0000 C 0 0 3.8786 -6.0026 0.0000 C 0 0 5.1802 -5.2571 0.0000 C 0 0 5.1854 -3.7571 0.0000 C 0 0 6.4789 -6.0094 0.0000 O 0 0 7.7802 -5.2616 0.0000 C 0 0 1 2 1 0 2 7 1 0 2 3 1 0 3 20 2 0 3 4 1 0 4 5 1 0 4 17 2 0 5 6 2 0 6 7 1 0 6 9 1 0 7 8 2 0 9 14 2 0 9 10 1 0 10 11 2 0 10 16 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 1 0 22 27 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 26 28 1 0 28 29 1 0 M END > ZINC03815223 > 13 $$$$ SciTegic07110717462D 29 32 0 0 0 0 999 V2000 -1.2876 -2.9981 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 O 0 0 -3.9086 1.5029 0.0000 C 0 0 -3.8985 3.0029 0.0000 C 0 0 -5.1925 3.7616 0.0000 C 0 0 -6.4965 3.0203 0.0000 C 0 0 -6.5065 1.5203 0.0000 C 0 0 -5.2125 0.7617 0.0000 C 0 0 -5.2206 -0.4383 0.0000 Cl 0 0 -2.8553 3.5960 0.0000 Cl 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.8911 -1.5017 0.0000 N 0 0 3.8890 -3.0026 0.0000 C 0 0 2.5873 -3.7482 0.0000 C 0 0 2.5821 -5.2482 0.0000 C 0 0 3.8786 -6.0026 0.0000 C 0 0 5.1802 -5.2571 0.0000 C 0 0 5.1854 -3.7571 0.0000 C 0 0 3.8765 -7.5035 0.0000 O 0 0 5.1747 -8.2565 0.0000 C 0 0 1 2 1 0 2 7 1 0 2 3 1 0 3 20 2 0 3 4 1 0 4 5 1 0 4 17 2 0 5 6 2 0 6 7 1 0 6 9 1 0 7 8 2 0 9 14 2 0 9 10 1 0 10 11 2 0 10 16 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 1 0 22 27 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 25 28 1 0 26 27 1 0 28 29 1 0 M END > ZINC03815309 > 13 $$$$ SciTegic07110717462D 29 32 0 0 0 0 999 V2000 -1.2876 -2.9981 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 O 0 0 -3.9086 1.5029 0.0000 C 0 0 -3.8985 3.0029 0.0000 C 0 0 -5.1925 3.7616 0.0000 C 0 0 -6.4965 3.0203 0.0000 C 0 0 -6.5065 1.5203 0.0000 C 0 0 -5.2125 0.7617 0.0000 C 0 0 -5.2206 -0.4383 0.0000 Cl 0 0 -2.8553 3.5960 0.0000 Cl 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.8911 -1.5017 0.0000 N 0 0 3.8890 -3.0026 0.0000 C 0 0 2.5873 -3.7482 0.0000 C 0 0 2.5821 -5.2482 0.0000 N 0 0 3.8786 -6.0026 0.0000 C 0 0 5.1802 -5.2571 0.0000 C 0 0 5.1854 -3.7571 0.0000 C 0 0 6.4893 -3.0139 0.0000 O 0 0 7.7853 -3.7707 0.0000 C 0 0 1 2 1 0 2 7 1 0 2 3 1 0 3 20 2 0 3 4 1 0 4 5 1 0 4 17 2 0 5 6 2 0 6 7 1 0 6 9 1 0 7 8 2 0 9 14 2 0 9 10 1 0 10 11 2 0 10 16 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 1 0 22 27 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 1 0 28 29 1 0 M END > ZINC03815556 > 13 $$$$ SciTegic07110717462D 30 33 0 0 0 0 999 V2000 -1.2876 -2.9981 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 O 0 0 -3.9086 1.5029 0.0000 C 0 0 -3.8985 3.0029 0.0000 C 0 0 -5.1925 3.7616 0.0000 C 0 0 -6.4965 3.0203 0.0000 C 0 0 -6.5065 1.5203 0.0000 C 0 0 -5.2125 0.7617 0.0000 C 0 0 -5.2206 -0.4383 0.0000 Cl 0 0 -2.8553 3.5960 0.0000 Cl 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.8911 -1.5017 0.0000 N 0 0 3.8890 -3.0026 0.0000 C 0 0 2.5873 -3.7482 0.0000 C 0 0 2.5821 -5.2482 0.0000 C 0 0 3.8786 -6.0026 0.0000 C 0 0 5.1802 -5.2571 0.0000 C 0 0 5.1854 -3.7571 0.0000 C 0 0 6.4789 -6.0094 0.0000 C 0 0 7.5194 -5.4115 0.0000 O 0 0 6.4768 -7.2094 0.0000 O 0 5 1 2 1 0 2 7 1 0 2 3 1 0 3 20 2 0 3 4 1 0 4 5 1 0 4 17 2 0 5 6 2 0 6 7 1 0 6 9 1 0 7 8 2 0 9 14 2 0 9 10 1 0 10 11 2 0 10 16 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 1 0 22 27 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 26 28 1 0 28 29 2 0 28 30 1 0 M CHG 1 30 -1 M END > ZINC03815299 > 13 $$$$ SciTegic07110717462D 32 35 0 0 0 0 999 V2000 -14.3029 -1.5241 0.0000 C 0 0 -13.0041 -0.7721 0.0000 C 0 0 -11.7007 -3.0209 0.0000 C 0 0 -12.9988 -3.7741 0.0000 C 0 0 -10.4041 -0.7681 0.0000 C 0 0 -9.1030 -1.5161 0.0000 O 0 0 -7.8042 -0.7641 0.0000 C 0 0 -7.8091 0.7359 0.0000 C 0 0 -6.5125 1.4901 0.0000 C 0 0 -5.2109 0.7445 0.0000 C 0 0 -5.2061 -0.7556 0.0000 C 0 0 -6.5027 -1.5098 0.0000 C 0 0 -3.9122 1.4966 0.0000 N 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 N 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 3.6321 1.3486 0.0000 O 0 0 1.2964 1.4973 0.0000 N 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 1.2964 2.9981 0.0000 C 0 0 3.8926 -1.4990 0.0000 C 0 0 3.8904 -2.9990 0.0000 C 0 0 5.1883 -3.7510 0.0000 C 0 0 6.4885 -3.0029 0.0000 C 0 0 6.4908 -1.5029 0.0000 C 0 0 5.1929 -0.7510 0.0000 C 0 0 -11.7030 -1.5201 0.0000 N 0 3 1 2 1 0 2 32 1 0 3 4 1 0 3 32 1 0 5 6 1 0 5 32 1 0 6 7 1 0 7 12 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 10 13 1 0 11 12 1 0 13 14 1 0 14 24 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 23 2 0 17 18 1 0 18 19 2 0 19 20 1 0 19 26 1 0 20 21 2 0 20 22 1 0 22 23 1 0 22 25 1 0 23 24 1 0 26 31 2 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 30 31 1 0 M CHG 1 32 1 M END > ZINC03815545 > 13 $$$$ SciTegic07110717462D 33 36 0 0 0 0 999 V2000 -2.5824 -3.7570 0.0000 C 0 0 -1.2876 -2.9981 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.6486 -1.3517 0.0000 O 0 0 -3.9086 1.5029 0.0000 C 0 0 -3.8985 3.0029 0.0000 C 0 0 -5.1925 3.7616 0.0000 C 0 0 -6.4965 3.0203 0.0000 C 0 0 -6.5065 1.5203 0.0000 C 0 0 -5.2125 0.7617 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 3.8911 -1.5017 0.0000 N 0 0 3.8890 -3.0026 0.0000 C 0 0 2.5873 -3.7482 0.0000 C 0 0 2.5821 -5.2482 0.0000 C 0 0 3.8786 -6.0026 0.0000 C 0 0 5.1802 -5.2571 0.0000 C 0 0 5.1854 -3.7571 0.0000 C 0 0 3.8765 -7.5035 0.0000 O 0 0 5.1747 -8.2565 0.0000 C 0 0 6.4708 -10.5104 0.0000 C 0 0 6.4687 -12.0112 0.0000 C 0 0 3.8716 -10.5055 0.0000 C 0 0 3.8681 -12.0063 0.0000 C 0 0 5.1726 -9.7573 0.0000 N 0 3 1 2 1 0 2 3 1 0 3 8 1 0 3 4 1 0 4 19 2 0 4 5 1 0 5 6 1 0 5 16 2 0 6 7 2 0 7 8 1 0 7 10 1 0 8 9 2 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 16 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 20 21 1 0 21 26 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 24 27 1 0 25 26 1 0 27 28 1 0 28 33 1 0 29 30 1 0 29 33 1 0 31 32 1 0 31 33 1 0 M CHG 1 33 1 M END > ZINC03815509 > 13 $$$$ SciTegic07110717462D 25 28 0 0 0 0 999 V2000 8.1310 -9.0783 0.0000 C 0 0 8.3063 -7.5885 0.0000 C 0 0 7.1039 -6.6918 0.0000 C 0 0 5.7307 -7.2838 0.0000 C 0 0 5.5507 -8.7745 0.0000 C 0 0 6.7532 -9.6713 0.0000 C 0 0 4.4671 -6.4741 0.0000 N 0 0 4.3897 -5.0030 0.0000 C 0 0 2.9377 -4.6160 0.0000 N 0 0 2.1294 -5.8717 0.0000 C 0 0 3.0795 -7.0259 0.0000 C 0 0 2.5667 -8.4398 0.0000 C 0 0 1.0665 -8.6828 0.0000 C 0 0 0.1164 -7.5286 0.0000 C 0 0 0.6433 -6.1031 0.0000 C 0 0 -1.3629 -7.7820 0.0000 O 0 0 -2.3229 -6.6284 0.0000 C 0 0 -3.8021 -6.8820 0.0000 C 0 0 -4.7621 -5.7284 0.0000 C 0 0 -6.1980 -4.5030 0.0000 C 0 0 -7.4934 -3.7467 0.0000 C 0 0 -8.7960 -4.4903 0.0000 O 0 0 -8.8034 -5.9903 0.0000 C 0 0 -7.5080 -6.7467 0.0000 C 0 0 -6.2413 -5.9820 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 11 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 25 1 0 20 21 1 0 20 25 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 M CHG 1 25 1 M END > ZINC03832237 > 14 $$$$ SciTegic07110717462D 26 29 0 0 0 0 999 V2000 -19.1918 1.7712 0.0000 C 0 0 -19.8678 0.4321 0.0000 C 0 0 -19.0461 -0.8228 0.0000 C 0 0 -17.5532 -0.7381 0.0000 C 0 0 -16.8725 0.6003 0.0000 C 0 0 -17.6941 1.8553 0.0000 C 0 0 -16.6442 -1.9323 0.0000 N 0 0 -17.0764 -3.3407 0.0000 C 0 0 -15.8454 -4.2025 0.0000 N 0 0 -14.6552 -3.3005 0.0000 C 0 0 -15.1515 -1.8902 0.0000 C 0 0 -14.1846 -0.7382 0.0000 C 0 0 -12.6921 -1.0249 0.0000 C 0 0 -12.1959 -2.4351 0.0000 C 0 0 -13.1800 -3.5932 0.0000 C 0 0 -10.7195 -2.7047 0.0000 O 0 0 -10.2137 -4.1178 0.0000 C 0 0 -8.7373 -4.3872 0.0000 C 0 0 -8.2316 -5.8003 0.0000 C 0 0 -6.7551 -6.0698 0.0000 C 0 0 -4.9825 -6.7185 0.0000 C 0 0 -3.6873 -7.4753 0.0000 C 0 0 -3.6951 -8.9753 0.0000 O 0 0 -4.9981 -9.7185 0.0000 C 0 0 -6.2932 -8.9618 0.0000 C 0 0 -6.2494 -7.4828 0.0000 N 0 3 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 11 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 26 1 0 21 22 1 0 21 26 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 M CHG 1 26 1 M END > ZINC03832242 > 15 $$$$ SciTegic07110717462D 27 29 0 0 0 0 999 V2000 6.4855 -8.2648 0.0000 C 0 0 5.1873 -7.5117 0.0000 C 0 0 5.1894 -6.0109 0.0000 C 0 0 3.8912 -5.2578 0.0000 C 0 0 3.8933 -3.7570 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 1.5548 -3.6021 0.0000 O 0 0 2.5973 -1.5031 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0031 3.0008 0.0000 N 0 0 1.3039 3.7494 0.0000 C 0 0 2.6004 2.9949 0.0000 N 0 0 3.9020 3.7405 0.0000 C 0 0 3.9072 5.2405 0.0000 C 0 0 2.6108 5.9949 0.0000 C 0 0 1.3092 5.2494 0.0000 N 0 0 2.6160 7.4957 0.0000 C 0 0 3.9188 8.2392 0.0000 C 0 0 3.9263 9.7392 0.0000 C 0 0 2.6311 10.4958 0.0000 C 0 0 1.3283 9.7523 0.0000 N 0 0 1.3207 8.2523 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 22 27 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 M END > ZINC03832260 > 16 $$$$ SciTegic07110717462D 28 31 0 0 0 0 999 V2000 3.4916 5.5937 0.0000 C 0 0 4.2449 4.2986 0.0000 C 0 0 5.7359 4.1352 0.0000 C 0 0 6.0412 2.6666 0.0000 C 0 0 4.7388 1.9224 0.0000 N 0 0 3.6500 2.9355 0.0000 C 0 0 2.1812 2.6271 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 3.7889 0.0269 0.0000 O 0 0 -3.6168 -1.4950 0.0000 C 0 0 -4.9143 -0.7422 0.0000 C 0 0 -6.2150 -1.4893 0.0000 C 0 0 -6.2184 -2.9893 0.0000 C 0 0 -4.9210 -3.7422 0.0000 C 0 0 -3.6203 -2.9951 0.0000 C 0 0 6.7434 5.2441 0.0000 C 0 0 6.2869 6.6738 0.0000 C 0 0 7.2962 7.7846 0.0000 C 0 0 6.9312 8.9278 0.0000 O 0 0 8.4687 7.5295 0.0000 O 0 5 1 2 1 0 2 6 2 0 2 3 1 0 3 4 2 0 3 24 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 16 1 0 8 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 12 18 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 M CHG 1 28 -1 M END > ZINC03834041 > 17 $$$$ SciTegic07110717462D 29 32 0 0 0 0 999 V2000 3.4916 5.5937 0.0000 C 0 0 4.2449 4.2986 0.0000 C 0 0 5.7359 4.1352 0.0000 C 0 0 6.0412 2.6666 0.0000 C 0 0 4.7388 1.9224 0.0000 N 0 0 3.6500 2.9355 0.0000 C 0 0 2.1812 2.6271 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 3.7889 0.0269 0.0000 O 0 0 -3.6168 -1.4950 0.0000 C 0 0 -4.9143 -0.7422 0.0000 C 0 0 -6.2150 -1.4893 0.0000 C 0 0 -6.2184 -2.9893 0.0000 C 0 0 -4.9210 -3.7422 0.0000 C 0 0 -3.6203 -2.9951 0.0000 C 0 0 7.4072 2.0511 0.0000 C 0 0 6.7434 5.2441 0.0000 C 0 0 6.2869 6.6738 0.0000 C 0 0 7.2962 7.7846 0.0000 C 0 0 6.9312 8.9278 0.0000 O 0 0 8.4687 7.5295 0.0000 O 0 5 1 2 1 0 2 6 2 0 2 3 1 0 3 4 2 0 3 25 1 0 4 5 1 0 4 24 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 16 1 0 8 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 12 18 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 M CHG 1 29 -1 M END > ZINC03834020 > 17 $$$$ SciTegic07110717462D 30 33 0 0 0 0 999 V2000 7.4072 2.0511 0.0000 C 0 0 6.0412 2.6666 0.0000 C 0 0 5.7359 4.1352 0.0000 C 0 0 4.2449 4.2986 0.0000 N 0 0 3.6500 2.9355 0.0000 C 0 0 4.7388 1.9224 0.0000 C 0 0 4.5642 0.4344 0.0000 C 0 0 5.7669 -0.4632 0.0000 C 0 0 5.5919 -1.9538 0.0000 C 0 0 6.5536 -2.6715 0.0000 O 0 0 2.1812 2.6271 0.0000 C 0 0 1.1806 3.7427 0.0000 C 0 0 -0.3047 3.5881 0.0000 C 0 0 -1.1819 2.3663 0.0000 C 0 0 -2.6917 2.5394 0.0000 C 0 0 -3.2930 3.9082 0.0000 C 0 0 -2.3991 5.1373 0.0000 C 0 0 -0.9060 4.9568 0.0000 C 0 0 0.2127 5.9461 0.0000 N 0 0 1.5052 5.1797 0.0000 C 0 0 2.4236 5.5753 0.0000 O 0 0 -4.7851 4.0691 0.0000 C 0 0 -5.6702 2.8581 0.0000 C 0 0 -7.1616 3.0189 0.0000 C 0 0 -7.7680 4.3909 0.0000 C 0 0 -6.8830 5.6020 0.0000 C 0 0 -5.3917 5.4412 0.0000 C 0 0 -7.4869 6.9760 0.0000 O 0 0 -6.5998 8.1866 0.0000 C 0 0 4.4896 -2.4281 0.0000 O 0 5 1 2 1 0 2 6 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 2 0 5 11 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 30 1 0 11 12 2 0 12 20 1 0 12 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 16 22 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 22 27 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 26 28 1 0 28 29 1 0 M CHG 1 30 -1 M END > ZINC03834046 > 17 $$$$ SciTegic07110717462D 30 33 0 0 0 0 999 V2000 3.4916 5.5937 0.0000 C 0 0 4.2449 4.2986 0.0000 C 0 0 5.7359 4.1352 0.0000 C 0 0 6.0412 2.6666 0.0000 C 0 0 4.7388 1.9224 0.0000 N 0 0 3.6500 2.9355 0.0000 C 0 0 2.1812 2.6271 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 3.7889 0.0269 0.0000 O 0 0 -3.6168 -1.4950 0.0000 C 0 0 -4.9143 -0.7422 0.0000 C 0 0 -6.2150 -1.4893 0.0000 C 0 0 -6.2184 -2.9893 0.0000 C 0 0 -4.9210 -3.7422 0.0000 C 0 0 -3.6203 -2.9951 0.0000 C 0 0 -4.9213 -5.2431 0.0000 O 0 0 -3.6222 -5.9945 0.0000 C 0 0 6.7434 5.2441 0.0000 C 0 0 6.2869 6.6738 0.0000 C 0 0 7.2962 7.7846 0.0000 C 0 0 6.9312 8.9278 0.0000 O 0 0 8.4687 7.5295 0.0000 O 0 5 1 2 1 0 2 6 2 0 2 3 1 0 3 4 2 0 3 26 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 16 1 0 8 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 12 18 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 22 24 1 0 24 25 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 M CHG 1 30 -1 M END > ZINC03815546 > 17 $$$$ SciTegic07110717462D 31 34 0 0 0 0 999 V2000 3.4916 5.5937 0.0000 C 0 0 4.2449 4.2986 0.0000 C 0 0 5.7359 4.1352 0.0000 C 0 0 6.0412 2.6666 0.0000 C 0 0 4.7388 1.9224 0.0000 N 0 0 3.6500 2.9355 0.0000 C 0 0 2.1812 2.6271 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 3.7889 0.0269 0.0000 O 0 0 -3.6168 -1.4950 0.0000 C 0 0 -4.9143 -0.7422 0.0000 C 0 0 -6.2150 -1.4893 0.0000 C 0 0 -6.2184 -2.9893 0.0000 C 0 0 -4.9210 -3.7422 0.0000 C 0 0 -3.6203 -2.9951 0.0000 C 0 0 -4.9213 -5.2431 0.0000 O 0 0 -3.6222 -5.9945 0.0000 C 0 0 7.4072 2.0511 0.0000 C 0 0 6.7434 5.2441 0.0000 C 0 0 6.2869 6.6738 0.0000 C 0 0 7.2962 7.7846 0.0000 C 0 0 6.9312 8.9278 0.0000 O 0 0 8.4687 7.5295 0.0000 O 0 5 1 2 1 0 2 6 2 0 2 3 1 0 3 4 2 0 3 27 1 0 4 5 1 0 4 26 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 16 1 0 8 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 12 18 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 22 24 1 0 24 25 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 M CHG 1 31 -1 M END > ZINC03834035 > 17 $$$$ SciTegic07110717462D 28 31 0 0 0 0 999 V2000 3.3435 -0.3938 0.0000 C 0 0 4.8196 -0.6604 0.0000 C 0 0 5.7885 0.4847 0.0000 C 0 0 5.2812 1.8964 0.0000 C 0 0 3.8051 2.1629 0.0000 C 0 0 2.8362 1.0178 0.0000 C 0 0 3.2947 3.5743 0.0000 N 0 0 1.8174 3.8389 0.0000 C 0 0 1.0439 2.9214 0.0000 O 0 0 1.3070 5.2502 0.0000 C 0 0 2 0 0 0 0.0426 4.4818 0.0000 C 0 0 -1.2550 5.2342 0.0000 C 0 0 -1.2522 6.7342 0.0000 C 0 0 0.0483 7.4818 0.0000 C 0 0 1.3459 6.7293 0.0000 C 0 0 7.2660 0.2211 0.0000 N 0 0 8.2338 1.3682 0.0000 C 0 0 7.7217 2.7781 0.0000 N 0 0 8.6866 3.9266 0.0000 C 0 0 10.1637 3.6651 0.0000 C 0 0 10.6758 2.2553 0.0000 C 0 0 9.7109 1.1068 0.0000 N 0 0 12.1536 1.9937 0.0000 C 0 0 13.1168 3.1436 0.0000 C 0 0 14.5942 2.8846 0.0000 C 0 0 15.1086 1.4755 0.0000 C 0 0 14.1455 0.3255 0.0000 N 0 0 12.6680 0.5846 0.0000 C 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 16 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 1 0 8 9 2 0 10 8 1 6 10 15 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 16 17 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 21 23 1 0 23 28 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 M END > ZINC03832264 > 18 $$$$ SciTegic07110717462D 29 32 0 0 0 0 999 V2000 2.5988 -1.5004 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5972 1.5031 0.0000 N 0 0 2.5951 3.0039 0.0000 C 0 0 1.2934 3.7495 0.0000 N 0 0 1.2883 5.2495 0.0000 C 0 0 2.5847 6.0040 0.0000 C 0 0 3.8863 5.2585 0.0000 C 0 0 3.8915 3.7585 0.0000 N 0 0 5.1834 6.0134 0.0000 C 0 0 5.1759 7.5134 0.0000 C 0 0 6.4711 8.2700 0.0000 C 0 0 7.7740 7.5265 0.0000 C 0 0 7.7815 6.0266 0.0000 N 0 0 6.4863 5.2700 0.0000 C 0 0 -2.5973 1.5031 0.0000 N 0 0 -2.5951 3.0039 0.0000 C 0 0 -1.5549 3.6021 0.0000 O 0 0 -3.8933 3.7570 0.0000 C 0 0 -5.1925 3.0070 0.0000 C 0 0 -6.4915 3.7571 0.0000 C 0 0 -6.4915 5.2571 0.0000 C 0 0 -5.1924 6.0070 0.0000 C 0 0 -3.8934 5.2570 0.0000 C 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 21 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 29 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 M END > ZINC00600761 > 18 $$$$ SciTegic07110717462D 29 32 0 0 0 0 999 V2000 2.5988 -1.5004 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 -3.6375 0.9049 0.0000 O 0 0 -2.5951 3.0039 0.0000 N 0 0 -3.8933 3.7570 0.0000 C 0 0 -5.1925 3.0070 0.0000 C 0 0 -6.4915 3.7571 0.0000 C 0 0 -6.4915 5.2571 0.0000 C 0 0 -5.1924 6.0070 0.0000 C 0 0 -3.8934 5.2570 0.0000 C 0 0 -5.1893 7.5079 0.0000 N 0 0 -3.8885 8.2564 0.0000 C 0 0 -2.5920 7.5019 0.0000 N 0 0 -1.2903 8.2474 0.0000 C 0 0 -1.2851 9.7474 0.0000 C 0 0 -2.5815 10.5019 0.0000 C 0 0 -3.8832 9.7564 0.0000 N 0 0 -2.5763 12.0026 0.0000 C 0 0 -1.2735 12.7462 0.0000 C 0 0 -1.2659 14.2462 0.0000 C 0 0 -2.5611 15.0027 0.0000 C 0 0 -3.8639 14.2593 0.0000 N 0 0 -3.8715 12.7593 0.0000 C 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 8 1 0 6 7 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 15 17 1 0 17 18 1 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 22 24 1 0 24 29 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 M END > ZINC03832265 > 18 $$$$ SciTegic07110717462D 29 32 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 -3.6375 0.9049 0.0000 O 0 0 -2.5951 3.0039 0.0000 N 0 0 -3.8933 3.7570 0.0000 C 0 0 -5.1925 3.0070 0.0000 C 0 0 -6.4915 3.7571 0.0000 C 0 0 -6.4915 5.2571 0.0000 C 0 0 -5.1924 6.0070 0.0000 C 0 0 -3.8934 5.2570 0.0000 C 0 0 -5.1893 7.5079 0.0000 N 0 0 -3.8885 8.2564 0.0000 C 0 0 -2.5920 7.5019 0.0000 N 0 0 -1.2903 8.2474 0.0000 C 0 0 -1.2851 9.7474 0.0000 C 0 0 -2.5815 10.5019 0.0000 C 0 0 -3.8832 9.7564 0.0000 N 0 0 -2.5763 12.0026 0.0000 C 0 0 -1.2735 12.7462 0.0000 C 0 0 -1.2659 14.2462 0.0000 C 0 0 -2.5611 15.0027 0.0000 C 0 0 -3.8639 14.2593 0.0000 N 0 0 -3.8715 12.7593 0.0000 C 0 0 -7.5307 5.8571 0.0000 Cl 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 29 1 0 14 15 1 0 14 16 1 0 16 17 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 21 23 1 0 23 28 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 M END > ZINC03832233 > 18 $$$$ SciTegic07110717462D 30 33 0 0 0 0 999 V2000 2.5988 -1.5004 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 -3.6375 0.9049 0.0000 O 0 0 -2.5951 3.0039 0.0000 N 0 0 -3.8933 3.7570 0.0000 C 0 0 -5.1925 3.0070 0.0000 C 0 0 -6.4915 3.7571 0.0000 C 0 0 -6.4915 5.2571 0.0000 C 0 0 -5.1924 6.0070 0.0000 C 0 0 -3.8934 5.2570 0.0000 C 0 0 -5.1893 7.5079 0.0000 N 0 0 -3.8885 8.2564 0.0000 C 0 0 -2.5920 7.5019 0.0000 N 0 0 -1.2903 8.2474 0.0000 C 0 0 -1.2851 9.7474 0.0000 C 0 0 -2.5815 10.5019 0.0000 C 0 0 -3.8832 9.7564 0.0000 N 0 0 -2.5763 12.0026 0.0000 C 0 0 -1.2735 12.7462 0.0000 C 0 0 -1.2659 14.2462 0.0000 C 0 0 -2.5611 15.0027 0.0000 C 0 0 -3.8639 14.2593 0.0000 N 0 0 -3.8715 12.7593 0.0000 C 0 0 -7.7912 6.0075 0.0000 C 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 8 1 0 6 7 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 14 30 1 0 15 16 1 0 15 17 1 0 17 18 1 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 22 24 1 0 24 29 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 M END > ZINC03832219 > 18 $$$$ SciTegic07110717462D 30 33 0 0 0 0 999 V2000 2.5988 -1.5004 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5972 1.5031 0.0000 N 0 0 2.5951 3.0039 0.0000 C 0 0 1.2934 3.7495 0.0000 N 0 0 1.2883 5.2495 0.0000 C 0 0 2.5847 6.0040 0.0000 C 0 0 3.8863 5.2585 0.0000 C 0 0 3.8915 3.7585 0.0000 N 0 0 5.1834 6.0134 0.0000 C 0 0 5.1759 7.5134 0.0000 C 0 0 6.4711 8.2700 0.0000 C 0 0 7.7740 7.5265 0.0000 C 0 0 7.7815 6.0266 0.0000 N 0 0 6.4863 5.2700 0.0000 C 0 0 -2.5973 1.5031 0.0000 N 0 0 -2.5951 3.0039 0.0000 C 0 0 -1.5549 3.6021 0.0000 O 0 0 -3.8933 3.7570 0.0000 C 0 0 -5.1925 3.0070 0.0000 C 0 0 -6.4915 3.7571 0.0000 C 0 0 -6.4915 5.2571 0.0000 C 0 0 -5.1924 6.0070 0.0000 C 0 0 -3.8934 5.2570 0.0000 C 0 0 -7.5307 5.8571 0.0000 Cl 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 21 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 29 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 27 30 1 0 28 29 1 0 M END > ZINC03832221 > 18 $$$$ SciTegic07110717462D 31 34 0 0 0 0 999 V2000 2.5988 -1.5004 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5972 1.5031 0.0000 N 0 0 2.5951 3.0039 0.0000 C 0 0 1.2934 3.7495 0.0000 N 0 0 1.2883 5.2495 0.0000 C 0 0 2.5847 6.0040 0.0000 C 0 0 3.8863 5.2585 0.0000 C 0 0 3.8915 3.7585 0.0000 N 0 0 5.1834 6.0134 0.0000 C 0 0 5.1759 7.5134 0.0000 C 0 0 6.4711 8.2700 0.0000 C 0 0 7.7740 7.5265 0.0000 C 0 0 7.7815 6.0266 0.0000 N 0 0 6.4863 5.2700 0.0000 C 0 0 -2.5973 1.5031 0.0000 N 0 0 -2.5951 3.0039 0.0000 C 0 0 -1.5549 3.6021 0.0000 O 0 0 -3.8933 3.7570 0.0000 C 0 0 -5.1925 3.0070 0.0000 C 0 0 -6.4915 3.7571 0.0000 C 0 0 -6.4915 5.2571 0.0000 C 0 0 -5.1924 6.0070 0.0000 C 0 0 -3.8934 5.2570 0.0000 C 0 0 -2.5952 6.0101 0.0000 O 0 0 -2.5974 7.5109 0.0000 C 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 21 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 29 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 1 0 30 31 1 0 M END > ZINC03832244 > 18 $$$$ SciTegic07110717462D 30 33 0 0 0 0 999 V2000 -2.2538 8.9844 0.0000 C 0 0 -1.3180 7.8658 0.0000 C 0 0 -0.3548 6.7159 0.0000 C 0 0 -2.3464 5.0476 0.0000 C 0 0 -3.3096 6.1975 0.0000 C 0 0 -0.9067 3.8268 0.0000 C 0 0 -2.2067 3.0770 0.0000 C 0 0 -3.0724 3.5776 0.0000 O 0 0 -2.2083 1.5762 0.0000 N 0 0 -3.5084 0.8263 0.0000 C 0 0 -2.9931 -0.5825 0.0000 C 0 0 -3.9554 -1.7331 0.0000 C 0 0 -5.4331 -1.4750 0.0000 C 0 0 -5.9484 -0.0663 0.0000 C 0 0 -4.9861 1.0843 0.0000 C 0 0 -7.4263 0.1949 0.0000 N 0 0 -8.3923 -0.9537 0.0000 C 0 0 -7.8779 -2.3629 0.0000 N 0 0 -8.8410 -3.5129 0.0000 C 0 0 -10.3184 -3.2538 0.0000 C 0 0 -10.8328 -1.8448 0.0000 C 0 0 -9.8698 -0.6948 0.0000 N 0 0 -12.3110 -1.5856 0.0000 C 0 0 -13.2724 -2.7371 0.0000 C 0 0 -14.7503 -2.4804 0.0000 C 0 0 -15.2669 -1.0721 0.0000 C 0 0 -14.3056 0.0794 0.0000 N 0 0 -12.8278 -0.1773 0.0000 C 0 0 -2.7954 7.6066 0.0000 N 0 3 -0.8690 5.3068 0.0000 N 0 3 1 29 1 0 2 3 1 0 2 29 1 0 3 30 1 0 4 5 1 0 4 30 1 0 5 29 1 0 6 7 1 0 6 30 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 21 23 1 0 23 28 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 M CHG 2 29 1 30 1 M END > ZINC03832239 > 19 $$$$ SciTegic07110717462D 31 35 0 0 0 0 999 V2000 -7.7563 -4.4449 0.0000 C 0 0 -7.1581 -3.0693 0.0000 C 0 0 -5.6677 -2.8996 0.0000 C 0 0 -4.7753 -4.1055 0.0000 C 0 0 -5.3737 -5.4810 0.0000 C 0 0 -6.8641 -5.6507 0.0000 C 0 0 -3.3161 -4.4559 0.0000 C 0 0 -2.2893 -3.3692 0.0000 C 0 0 -0.8093 -3.7141 0.0000 C 0 0 -0.3942 -5.1597 0.0000 C 0 0 -1.4210 -6.2464 0.0000 C 0 0 -2.8878 -5.9140 0.0000 C 0 0 -0.7003 -7.5544 0.0000 N 0 0 0.7497 -7.2940 0.0000 C 0 0 1.6160 -8.1244 0.0000 O 0 0 0.9525 -5.8051 0.0000 C 0 0 2.2720 -5.0954 0.0000 C 0 0 3.5491 -5.8837 0.0000 C 0 0 4.9212 -5.3050 0.0000 C 0 0 5.8832 -6.4473 0.0000 C 0 0 5.0882 -7.7134 0.0000 C 0 0 3.6415 -7.3432 0.0000 N 0 0 5.7773 -9.0502 0.0000 C 0 0 7.2962 -9.0998 0.0000 C 0 0 8.0912 -7.8336 0.0000 C 0 0 7.3867 -6.4871 0.0000 C 0 0 5.2705 -3.8481 0.0000 C 0 0 4.1822 -2.8147 0.0000 C 0 0 4.5320 -1.3552 0.0000 C 0 0 3.6619 -0.5289 0.0000 O 0 0 5.6826 -1.0144 0.0000 O 0 5 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 12 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 16 1 0 10 11 2 0 11 12 1 0 11 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 2 0 17 18 1 0 18 22 1 0 18 19 2 0 19 20 1 0 19 27 1 0 20 26 1 0 20 21 2 0 21 22 1 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 M CHG 1 31 -1 M END > ZINC04632533 > 20 $$$$ SciTegic07110717462D 33 37 0 0 0 0 999 V2000 -5.9666 -0.3169 0.0000 C 0 0 -5.0721 -1.5220 0.0000 O 0 0 -5.6677 -2.8996 0.0000 C 0 0 -7.1581 -3.0693 0.0000 C 0 0 -7.7563 -4.4449 0.0000 C 0 0 -6.8641 -5.6507 0.0000 C 0 0 -5.3737 -5.4810 0.0000 C 0 0 -4.7753 -4.1055 0.0000 C 0 0 -3.3161 -4.4559 0.0000 C 0 0 -2.2893 -3.3692 0.0000 C 0 0 -0.8093 -3.7141 0.0000 C 0 0 -0.3942 -5.1597 0.0000 C 0 0 -1.4210 -6.2464 0.0000 C 0 0 -2.8878 -5.9140 0.0000 C 0 0 -0.7003 -7.5544 0.0000 N 0 0 0.7497 -7.2940 0.0000 C 0 0 1.6160 -8.1244 0.0000 O 0 0 0.9525 -5.8051 0.0000 C 0 0 2.2720 -5.0954 0.0000 C 0 0 3.5491 -5.8837 0.0000 C 0 0 4.9212 -5.3050 0.0000 C 0 0 5.8832 -6.4473 0.0000 C 0 0 5.0882 -7.7134 0.0000 C 0 0 3.6415 -7.3432 0.0000 N 0 0 5.7773 -9.0502 0.0000 C 0 0 7.2962 -9.0998 0.0000 C 0 0 8.0912 -7.8336 0.0000 C 0 0 7.3867 -6.4871 0.0000 C 0 0 5.2705 -3.8481 0.0000 C 0 0 4.1822 -2.8147 0.0000 C 0 0 4.5320 -1.3552 0.0000 C 0 0 3.6619 -0.5289 0.0000 O 0 0 5.6826 -1.0144 0.0000 O 0 5 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 18 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 2 0 19 20 1 0 20 24 1 0 20 21 2 0 21 22 1 0 21 29 1 0 22 28 1 0 22 23 2 0 23 24 1 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 29 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 M CHG 1 33 -1 M END > ZINC04617831 > 20 $$$$ SciTegic07110717462D 33 37 0 0 0 0 999 V2000 -8.9569 -7.1935 0.0000 C 0 0 -7.4655 -7.0258 0.0000 O 0 0 -6.8641 -5.6507 0.0000 C 0 0 -7.7563 -4.4449 0.0000 C 0 0 -7.1581 -3.0693 0.0000 C 0 0 -5.6677 -2.8996 0.0000 C 0 0 -4.7753 -4.1055 0.0000 C 0 0 -5.3737 -5.4810 0.0000 C 0 0 -3.3161 -4.4559 0.0000 C 0 0 -2.2893 -3.3692 0.0000 C 0 0 -0.8093 -3.7141 0.0000 C 0 0 -0.3942 -5.1597 0.0000 C 0 0 -1.4210 -6.2464 0.0000 C 0 0 -2.8878 -5.9140 0.0000 C 0 0 -0.7003 -7.5544 0.0000 N 0 0 0.7497 -7.2940 0.0000 C 0 0 1.6160 -8.1244 0.0000 O 0 0 0.9525 -5.8051 0.0000 C 0 0 2.2720 -5.0954 0.0000 C 0 0 3.5491 -5.8837 0.0000 C 0 0 4.9212 -5.3050 0.0000 C 0 0 5.8832 -6.4473 0.0000 C 0 0 5.0882 -7.7134 0.0000 C 0 0 3.6415 -7.3432 0.0000 N 0 0 5.7773 -9.0502 0.0000 C 0 0 7.2962 -9.0998 0.0000 C 0 0 8.0912 -7.8336 0.0000 C 0 0 7.3867 -6.4871 0.0000 C 0 0 5.2705 -3.8481 0.0000 C 0 0 4.1822 -2.8147 0.0000 C 0 0 4.5320 -1.3552 0.0000 C 0 0 3.6619 -0.5289 0.0000 O 0 0 5.6826 -1.0144 0.0000 O 0 5 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 18 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 2 0 19 20 1 0 20 24 1 0 20 21 2 0 21 22 1 0 21 29 1 0 22 28 1 0 22 23 2 0 23 24 1 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 29 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 M CHG 1 33 -1 M END > ZINC04632535 > 20 $$$$ SciTegic07110717462D 33 37 0 0 0 0 999 V2000 -2.5545 9.7561 0.0000 C 0 0 -2.5634 8.2553 0.0000 C 0 0 -3.8669 7.5130 0.0000 C 0 0 -3.8757 6.0130 0.0000 C 0 0 -2.5812 5.2552 0.0000 C 0 0 -1.2777 5.9976 0.0000 C 0 0 -1.2688 7.4976 0.0000 C 0 0 0.0369 8.2376 0.0000 N 0 0 1.3311 7.4777 0.0000 C 0 0 1.3171 5.9777 0.0000 N 0 0 2.6090 5.2155 0.0000 C 0 0 3.9150 5.9533 0.0000 C 0 0 3.9291 7.4532 0.0000 C 0 0 2.6372 8.2154 0.0000 N 0 0 5.2358 8.1914 0.0000 C 0 0 6.5266 7.4272 0.0000 C 0 0 7.8338 8.1630 0.0000 C 0 0 7.8502 9.6629 0.0000 C 0 0 6.5595 10.4271 0.0000 N 0 0 5.2523 9.6914 0.0000 C 0 0 -2.5870 3.7544 0.0000 N 0 0 -1.2907 2.9981 0.0000 C 0 0 -0.2489 3.5938 0.0000 O 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 21 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 29 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 33 1 0 28 29 1 0 29 30 1 0 30 31 2 0 31 32 1 0 32 33 2 0 M END > ZINC03832227 > 21 $$$$ SciTegic07110717462D 33 37 0 0 0 0 999 V2000 -10.4098 3.7433 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -7.8078 5.2434 0.0000 N 0 0 -6.5069 5.9918 0.0000 C 0 0 -5.2104 5.2372 0.0000 N 0 0 -3.9087 5.9826 0.0000 C 0 0 -3.9034 7.4826 0.0000 C 0 0 -5.1997 8.2372 0.0000 C 0 0 -6.5014 7.4919 0.0000 N 0 0 -5.1944 9.7380 0.0000 C 0 0 -3.8915 10.4814 0.0000 C 0 0 -3.8838 11.9814 0.0000 C 0 0 -5.1789 12.7380 0.0000 C 0 0 -6.4818 11.9947 0.0000 N 0 0 -6.4895 10.4948 0.0000 C 0 0 -5.2109 0.7445 0.0000 N 0 0 -3.9122 1.4966 0.0000 C 0 0 -3.9141 2.6966 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 21 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 33 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 32 2 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 31 32 1 0 32 33 1 0 M END > ZINC03832225 > 22 $$$$