SciTegic07110717182D 15 16 0 0 0 0 999 V2000 -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 S 0 0 4.0872 0.0320 0.0000 S 0 0 4.8506 -1.2602 0.0000 C 0 0 6.3513 -1.2462 0.0000 C 0 0 7.1146 -2.5384 0.0000 C 0 0 8.3146 -2.5273 0.0000 O 0 0 6.5247 -3.5834 0.0000 O 0 5 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 9 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 M CHG 1 15 -1 M END > ZINC03881282 > 1 $$$$ SciTegic07110717182D 17 18 0 0 0 0 999 V2000 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 S 0 0 4.0872 0.0320 0.0000 S 0 0 4.8506 -1.2602 0.0000 C 0 0 6.3513 -1.2462 0.0000 C 0 0 7.1146 -2.5384 0.0000 C 0 0 8.6154 -2.5245 0.0000 S 0 0 1 0 0 0 9.2257 -3.5577 0.0000 O 0 0 9.2053 -1.4795 0.0000 O 0 0 9.8153 -2.5127 0.0000 O 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 9 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 2 0 14 17 1 1 M END > ZINC01809738 > 1 $$$$ SciTegic07110717182D 19 20 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5972 1.5031 0.0000 N 0 0 2.5951 3.0039 0.0000 S 0 0 2 0 0 0 1.5548 3.6021 0.0000 O 0 0 3.6354 2.4057 0.0000 O 0 0 3.8933 3.7570 0.0000 C 0 0 4.0280 5.2381 0.0000 C 0 0 5.4946 5.5530 0.0000 C 0 0 6.2473 4.2555 0.0000 S 0 0 5.2459 3.1387 0.0000 C 0 0 5.5522 1.6722 0.0000 C 0 0 6.6919 1.2965 0.0000 O 0 0 -2.3383 -1.3500 0.0000 Br 0 0 4.6573 0.8727 0.0000 O 0 5 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 18 1 0 4 5 2 0 5 6 1 0 6 7 1 0 8 7 1 1 8 9 2 0 8 10 2 0 8 11 1 0 11 15 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 19 1 0 M CHG 1 19 -1 M END > ZINC03881290 > 2 $$$$ SciTegic07110717182D 19 20 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5988 1.5004 0.0000 S 0 0 2 0 0 0 2.5984 2.7004 0.0000 O 0 0 3.6377 2.1009 0.0000 O 0 0 3.8990 0.7508 0.0000 N 0 0 5.1988 1.5013 0.0000 C 0 0 5.3336 2.9824 0.0000 C 0 0 6.8001 3.2973 0.0000 C 0 0 7.5528 1.9998 0.0000 S 0 0 6.5514 0.8830 0.0000 C 0 0 6.8577 -0.5835 0.0000 C 0 0 7.9974 -0.9591 0.0000 O 0 0 -2.3383 -1.3500 0.0000 Cl 0 0 5.9628 -1.3830 0.0000 O 0 5 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 18 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 2 0 7 10 1 1 10 11 1 0 11 15 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 19 1 0 M CHG 1 19 -1 M END > ZINC03881287 > 2 $$$$ SciTegic07110717182D 19 20 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5972 1.5031 0.0000 N 0 0 2.5951 3.0039 0.0000 S 0 0 2 0 0 0 1.5548 3.6021 0.0000 O 0 0 3.6354 2.4057 0.0000 O 0 0 3.8933 3.7570 0.0000 C 0 0 4.0280 5.2381 0.0000 C 0 0 5.4946 5.5530 0.0000 C 0 0 6.2473 4.2555 0.0000 S 0 0 5.2459 3.1387 0.0000 C 0 0 5.5522 1.6722 0.0000 C 0 0 6.6919 1.2965 0.0000 O 0 0 -2.3383 -1.3500 0.0000 Cl 0 0 4.6573 0.8727 0.0000 O 0 5 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 18 1 0 4 5 2 0 5 6 1 0 6 7 1 0 8 7 1 1 8 9 2 0 8 10 2 0 8 11 1 0 11 15 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 19 1 0 M CHG 1 19 -1 M END > ZINC03855713 > 2 $$$$ SciTegic07110717182D 20 21 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5972 1.5031 0.0000 N 0 0 2.5951 3.0039 0.0000 S 0 0 2 0 0 0 1.5548 3.6021 0.0000 O 0 0 3.6354 2.4057 0.0000 O 0 0 3.8933 3.7570 0.0000 C 0 0 4.0280 5.2381 0.0000 C 0 0 5.4946 5.5530 0.0000 C 0 0 6.2473 4.2555 0.0000 S 0 0 5.2459 3.1387 0.0000 C 0 0 5.5522 1.6722 0.0000 C 0 0 6.6919 1.2965 0.0000 O 0 0 -2.3383 1.3500 0.0000 Cl 0 0 -2.3383 -1.3500 0.0000 Cl 0 0 4.6573 0.8727 0.0000 O 0 5 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 19 1 0 4 5 2 0 4 18 1 0 5 6 1 0 6 7 1 0 8 7 1 1 8 9 2 0 8 10 2 0 8 11 1 0 11 15 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 20 1 0 M CHG 1 20 -1 M END > ZINC03881297 > 2 $$$$ SciTegic07110717182D 20 21 0 0 0 0 999 V2000 2.3383 -1.3500 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5988 1.5004 0.0000 S 0 0 2 0 0 0 -2.5984 2.7004 0.0000 O 0 0 -3.6377 2.1009 0.0000 O 0 0 -3.8990 0.7508 0.0000 N 0 0 -5.1988 1.5012 0.0000 C 0 0 -5.3336 2.9824 0.0000 C 0 0 -6.8002 3.2972 0.0000 C 0 0 -7.5528 1.9997 0.0000 C 0 0 -6.5514 0.8830 0.0000 S 0 0 -8.7465 1.8767 0.0000 C 0 0 -7.4039 4.6685 0.0000 C 0 0 -6.6952 5.6368 0.0000 O 0 0 -8.5969 4.7984 0.0000 O 0 5 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 8 1 0 6 7 1 0 8 9 2 0 8 10 2 0 8 11 1 6 11 12 1 0 12 16 1 0 12 13 2 0 13 14 1 0 14 15 2 0 14 18 1 0 15 16 1 0 15 17 1 0 18 19 2 0 18 20 1 0 M CHG 1 20 -1 M END > ZINC03881286 > 2 $$$$ SciTegic07110717182D 21 22 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5972 1.5031 0.0000 C 0 0 2.5955 2.7031 0.0000 O 0 0 -2.6003 -1.4978 0.0000 N 0 0 -3.8990 -0.7455 0.0000 S 0 0 2 0 0 0 -3.8969 0.4545 0.0000 O 0 0 -3.9011 -1.9455 0.0000 O 0 0 -5.2003 -1.4932 0.0000 C 0 0 -6.5503 -0.8694 0.0000 C 0 0 -7.5563 -1.9820 0.0000 C 0 0 -6.8090 -3.2826 0.0000 S 0 0 -5.3411 -2.9738 0.0000 C 0 0 -4.2242 -3.9723 0.0000 C 0 0 -4.4687 -5.1471 0.0000 O 0 0 3.6375 0.9049 0.0000 O 0 5 -3.0844 -3.5970 0.0000 O 0 5 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 9 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 2 0 7 20 1 0 10 9 1 6 10 11 2 0 10 12 2 0 10 13 1 0 13 17 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 21 1 0 M CHG 2 20 -1 21 -1 M END > ZINC03881291 > 2 $$$$ SciTegic07110717182D 21 22 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0031 3.0008 0.0000 N 0 0 1.3039 3.7494 0.0000 S 0 0 2 0 0 0 2.3421 3.1476 0.0000 O 0 0 0.2657 4.3512 0.0000 O 0 0 1.3070 5.2502 0.0000 C 0 0 0.0952 6.1124 0.0000 C 0 0 0.5617 7.5381 0.0000 C 0 0 2.0617 7.5350 0.0000 S 0 0 2.5223 6.1075 0.0000 C 0 0 3.9435 5.6336 0.0000 C 0 0 4.8420 6.4291 0.0000 O 0 0 -2.6003 -1.4978 0.0000 C 0 0 -3.6387 -0.8963 0.0000 O 0 0 4.1836 4.4578 0.0000 O 0 5 -2.6024 -2.6978 0.0000 O 0 5 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 18 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 7 1 6 8 9 2 0 8 10 2 0 8 11 1 0 11 15 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 20 1 0 18 19 2 0 18 21 1 0 M CHG 2 20 -1 21 -1 M END > ZINC03881292 > 2 $$$$ SciTegic07110717182D 21 22 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0031 3.0008 0.0000 N 0 3 1.0432 3.5994 0.0000 O 0 0 -1.0351 3.6026 0.0000 O 0 5 -2.6003 -1.4978 0.0000 N 0 0 -3.8990 -0.7455 0.0000 S 0 0 1 0 0 0 -3.8969 0.4545 0.0000 O 0 0 -3.9011 -1.9455 0.0000 O 0 0 -5.2003 -1.4932 0.0000 C 0 0 -6.5503 -0.8694 0.0000 C 0 0 -7.5563 -1.9820 0.0000 C 0 0 -6.8090 -3.2826 0.0000 S 0 0 -5.3411 -2.9738 0.0000 C 0 0 -4.2242 -3.9723 0.0000 C 0 0 -4.4687 -5.1471 0.0000 O 0 0 -3.0844 -3.5970 0.0000 O 0 5 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 10 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 2 0 7 9 1 0 11 10 1 1 11 12 2 0 11 13 2 0 11 14 1 0 14 18 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 M CHG 3 7 1 9 -1 21 -1 M END > ZINC03881295 > 2 $$$$ SciTegic07110717182D 21 22 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0031 3.0008 0.0000 N 0 0 1.3039 3.7494 0.0000 S 0 0 2 0 0 0 2.3421 3.1476 0.0000 O 0 0 0.2657 4.3512 0.0000 O 0 0 1.3070 5.2502 0.0000 C 0 0 0.0952 6.1124 0.0000 C 0 0 0.5617 7.5381 0.0000 C 0 0 2.0617 7.5350 0.0000 S 0 0 2.5223 6.1075 0.0000 C 0 0 3.9435 5.6336 0.0000 C 0 0 4.8420 6.4291 0.0000 O 0 0 -2.6003 1.4977 0.0000 N 0 3 -3.6387 0.8962 0.0000 O 0 0 -2.6024 2.6977 0.0000 O 0 5 4.1836 4.4578 0.0000 O 0 5 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 18 1 0 5 6 1 0 5 7 1 0 8 7 1 6 8 9 2 0 8 10 2 0 8 11 1 0 11 15 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 21 1 0 18 19 2 0 18 20 1 0 M CHG 3 18 1 20 -1 21 -1 M END > ZINC03881296 > 2 $$$$ SciTegic07110717182D 21 22 0 0 0 0 999 V2000 2.3088 -8.4986 0.0000 C 0 0 3.2068 -7.7026 0.0000 O 0 0 2.9070 -6.2320 0.0000 C 0 0 1.7688 -5.8520 0.0000 O 0 0 4.0281 -5.2381 0.0000 C 0 0 3.8933 -3.7570 0.0000 C 0 0 5.2459 -3.1387 0.0000 C 0 0 6.2473 -4.2555 0.0000 C 0 0 5.4947 -5.5530 0.0000 S 0 0 2.5951 -3.0039 0.0000 S 0 0 1 0 0 0 1.5548 -3.6021 0.0000 O 0 0 1.5568 -2.4023 0.0000 O 0 0 2.5973 -1.5031 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 2.7000 0.0000 Cl 0 0 -2.3383 1.3500 0.0000 Cl 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 9 1 0 5 6 2 0 6 7 1 0 6 10 1 0 7 8 2 0 8 9 1 0 10 11 2 0 10 12 2 0 10 13 1 6 13 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 17 21 1 0 18 19 1 0 18 20 1 0 M END > ZINC03881298 > 2 $$$$ SciTegic07110717182D 21 22 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 3.0008 0.0000 S 0 0 1 0 0 0 1.0394 3.6005 0.0000 O 0 0 0.0005 4.2008 0.0000 O 0 0 -1.2993 3.7521 0.0000 N 0 0 -1.2993 5.2529 0.0000 C 0 0 -0.0840 6.1102 0.0000 C 0 0 -0.5446 7.5377 0.0000 C 0 0 -2.0446 7.5408 0.0000 S 0 0 -2.5110 6.1152 0.0000 C 0 0 -3.9343 5.6472 0.0000 C 0 0 -4.8294 6.4464 0.0000 O 0 0 -2.6003 -1.4978 0.0000 N 0 3 -3.6387 -0.8963 0.0000 O 0 0 -2.6024 -2.6978 0.0000 O 0 5 -4.1792 4.4724 0.0000 O 0 5 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 18 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 2 0 7 9 2 0 7 10 1 1 10 11 1 0 11 15 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 21 1 0 18 19 2 0 18 20 1 0 M CHG 3 18 1 20 -1 21 -1 M END > ZINC03881299 > 2 $$$$ SciTegic07110717182D 22 23 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5972 1.5031 0.0000 N 0 0 2.5951 3.0039 0.0000 S 0 0 2 0 0 0 1.5548 3.6021 0.0000 O 0 0 3.6354 2.4057 0.0000 O 0 0 3.8933 3.7570 0.0000 C 0 0 4.0280 5.2381 0.0000 C 0 0 5.4946 5.5530 0.0000 C 0 0 6.2473 4.2555 0.0000 S 0 0 5.2459 3.1387 0.0000 C 0 0 5.5522 1.6722 0.0000 C 0 0 6.6919 1.2965 0.0000 O 0 0 -2.5988 -1.5004 0.0000 S 0 0 1 0 0 0 -2.5995 -2.7004 0.0000 O 0 0 -3.6378 -0.9001 0.0000 O 0 0 -3.6383 -2.0999 0.0000 N 0 0 4.6573 0.8727 0.0000 O 0 5 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 18 1 0 4 5 2 0 5 6 1 0 6 7 1 0 8 7 1 1 8 9 2 0 8 10 2 0 8 11 1 0 11 15 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 22 1 0 18 19 2 0 18 20 2 0 18 21 1 6 M CHG 1 22 -1 M END > ZINC03881283 > 2 $$$$ SciTegic07110717182D 22 23 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5972 1.5031 0.0000 N 0 0 2.5951 3.0039 0.0000 S 0 0 1 0 0 0 1.5548 3.6021 0.0000 O 0 0 3.6354 2.4057 0.0000 O 0 0 3.8933 3.7570 0.0000 C 0 0 4.0280 5.2381 0.0000 C 0 0 5.4946 5.5530 0.0000 C 0 0 6.2473 4.2555 0.0000 S 0 0 5.2459 3.1387 0.0000 C 0 0 5.5522 1.6722 0.0000 C 0 0 6.6919 1.2965 0.0000 O 0 0 -2.3383 1.3500 0.0000 Cl 0 0 -2.5972 -1.5031 0.0000 C 0 0 -2.5955 -2.7031 0.0000 O 0 0 4.6573 0.8727 0.0000 O 0 5 -3.6375 -0.9049 0.0000 O 0 5 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 19 1 0 4 5 2 0 4 18 1 0 5 6 1 0 6 7 1 0 8 7 1 6 8 9 2 0 8 10 2 0 8 11 1 0 11 15 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 21 1 0 19 20 2 0 19 22 1 0 M CHG 2 21 -1 22 -1 M END > ZINC03881293 > 2 $$$$ SciTegic07110717182D 22 23 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5972 1.5031 0.0000 C 0 0 2.5955 2.7031 0.0000 O 0 0 -2.3383 1.3500 0.0000 O 0 0 -2.5972 -1.5031 0.0000 N 0 0 -2.5951 -3.0039 0.0000 S 0 0 2 0 0 0 -1.5548 -3.6021 0.0000 O 0 0 -3.6354 -2.4057 0.0000 O 0 0 -3.8933 -3.7570 0.0000 C 0 0 -5.2459 -3.1387 0.0000 C 0 0 -6.2473 -4.2555 0.0000 C 0 0 -5.4946 -5.5530 0.0000 S 0 0 -4.0280 -5.2381 0.0000 C 0 0 -2.9070 -6.2320 0.0000 C 0 0 -3.1467 -7.4078 0.0000 O 0 0 3.6375 0.9049 0.0000 O 0 5 -1.7688 -5.8520 0.0000 O 0 5 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 10 1 0 4 5 2 0 4 9 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 21 1 0 11 10 1 1 11 12 2 0 11 13 2 0 11 14 1 0 14 18 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 22 1 0 M CHG 2 21 -1 22 -1 M END > ZINC03881294 > 2 $$$$ SciTegic07110717182D 19 20 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 -2.5951 3.0039 0.0000 N 0 0 -3.8933 3.7570 0.0000 S 0 0 2 0 0 0 -4.9336 3.1588 0.0000 O 0 0 -2.8531 4.3552 0.0000 O 0 0 -3.8912 5.2578 0.0000 C 0 0 -5.1035 6.1193 0.0000 C 0 0 -4.6380 7.5452 0.0000 C 0 0 -3.1380 7.5431 0.0000 S 0 0 -2.6765 6.1158 0.0000 C 0 0 -1.2549 5.6428 0.0000 C 0 0 -0.3569 6.4389 0.0000 O 0 0 -1.0141 4.4672 0.0000 O 0 5 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 8 1 0 9 8 1 1 9 10 2 0 9 11 2 0 9 12 1 0 12 16 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 M CHG 1 19 -1 M END > ZINC03881289 > 3 $$$$ SciTegic07110717182D 19 20 0 0 0 0 999 V2000 1.4553 -2.0031 0.0000 C 0 0 0.7500 -1.0323 0.0000 C 0 0 -0.7500 -1.0323 0.0000 C 0 0 -1.2135 0.3943 0.0000 C 0 0 0.0000 1.2760 0.0000 C 0 0 1.2135 0.3943 0.0000 O 0 0 0.0000 2.4760 0.0000 C 0 0 -2.6384 0.8573 0.0000 S 0 0 2 0 0 0 -2.8876 2.0311 0.0000 O 0 0 -3.7795 1.2286 0.0000 O 0 0 -3.7544 -0.1463 0.0000 N 0 0 -5.1818 0.3175 0.0000 C 0 0 -5.6216 1.7383 0.0000 C 0 0 -7.1216 1.7413 0.0000 C 0 0 -7.5880 0.3157 0.0000 C 0 0 -6.3763 -0.5685 0.0000 S 0 0 -1.6332 -2.2426 0.0000 C 0 0 -2.8264 -2.1154 0.0000 O 0 0 -1.1470 -3.3397 0.0000 O 0 5 1 2 1 0 2 6 1 0 2 3 2 0 3 4 1 0 3 17 1 0 4 5 2 0 4 8 1 0 5 6 1 0 5 7 1 0 8 9 2 0 8 10 2 0 8 11 1 6 11 12 1 0 12 16 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 17 18 2 0 17 19 1 0 M CHG 1 19 -1 M END > ZINC03881285 > 4 $$$$ SciTegic07110717182D 19 20 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0031 3.0008 0.0000 C 0 0 -1.0351 3.6026 0.0000 O 0 0 1.3039 3.7494 0.0000 N 0 0 1.3070 5.2502 0.0000 C 0 0 0.0079 6.0003 0.0000 C 0 0 0.0079 7.5003 0.0000 C 0 0 1.3070 8.2503 0.0000 C 0 0 2.6060 7.5003 0.0000 C 0 0 2.6060 6.0003 0.0000 C 0 0 1.3070 9.4503 0.0000 Cl 0 0 -2.6003 1.4977 0.0000 C 0 0 -3.6387 0.8962 0.0000 O 0 0 -2.6024 2.6977 0.0000 O 0 5 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 17 1 0 5 6 1 0 5 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 16 1 0 14 15 1 0 17 18 2 0 17 19 1 0 M CHG 1 19 -1 M END > ZINC03865054 > 5 $$$$ SciTegic07110717182D 20 21 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0031 3.0008 0.0000 C 0 0 1.0432 3.5994 0.0000 O 0 0 -2.5988 1.5004 0.0000 S 0 0 1 0 0 0 -2.5984 2.7004 0.0000 O 0 0 -3.6377 2.1009 0.0000 O 0 0 -3.8990 0.7508 0.0000 N 0 0 -5.1988 1.5012 0.0000 C 0 0 -5.1958 3.0013 0.0000 C 0 0 -6.4933 3.7539 0.0000 C 0 0 -7.7939 3.0066 0.0000 C 0 0 -7.7969 1.5066 0.0000 C 0 0 -6.4994 0.7539 0.0000 C 0 0 -8.8319 3.6087 0.0000 Cl 0 0 -1.0351 3.6026 0.0000 O 0 5 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 9 1 0 5 6 1 0 5 7 1 0 7 8 2 0 7 20 1 0 9 10 2 0 9 11 2 0 9 12 1 1 12 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 16 19 1 0 17 18 1 0 M CHG 1 20 -1 M END > ZINC03881288 > 5 $$$$ SciTegic07110717182D 24 26 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0031 3.0008 0.0000 N 0 0 1.3039 3.7494 0.0000 S 0 0 2 0 0 0 2.3421 3.1476 0.0000 O 0 0 0.2657 4.3512 0.0000 O 0 0 1.3070 5.2502 0.0000 C 0 0 0.0952 6.1124 0.0000 C 0 0 0.5617 7.5381 0.0000 C 0 0 2.0617 7.5350 0.0000 S 0 0 2.5223 6.1075 0.0000 C 0 0 3.9435 5.6336 0.0000 C 0 0 4.8420 6.4291 0.0000 O 0 0 -2.5987 1.5004 0.0000 N 0 0 -3.8967 0.7484 0.0000 C 0 0 -5.1969 1.4963 0.0000 C 0 0 -5.1993 2.9963 0.0000 C 0 0 -3.9015 3.7484 0.0000 C 0 0 -2.6012 3.0004 0.0000 C 0 0 4.1836 4.4578 0.0000 O 0 5 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 18 1 0 5 6 1 0 5 7 1 0 8 7 1 6 8 9 2 0 8 10 2 0 8 11 1 0 11 15 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 24 1 0 18 23 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 M CHG 1 24 -1 M END > ZINC03881284 > 6 $$$$