SciTegic07110717472D 10 11 0 0 0 0 999 V2000 1.7138 1.2033 0.0000 C 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 N 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 N 0 0 -1.0028 -1.5132 0.0000 C 0 0 -0.9991 -2.7132 0.0000 O 0 0 1 5 1 0 1 2 2 0 2 3 1 0 3 4 1 0 4 9 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 M END > ZINC04617932 > 1 $$$$ SciTegic07110717472D 10 11 0 0 0 0 999 V2000 2.5889 0.0182 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -0.9991 2.7132 0.0000 O 0 0 -2.3155 0.7475 0.0000 N 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 1 10 2 0 1 2 1 0 2 3 1 0 3 9 2 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 M END > ZINC00391097 > 1 $$$$ SciTegic07110717472D 17 19 0 0 0 0 999 V2000 -0.3015 3.5745 0.0000 C 0 0 -0.9093 4.9458 0.0000 C 0 0 0.2071 5.9476 0.0000 S 0 0 1.5048 5.1955 0.0000 C 0 0 1.1759 3.7451 0.0000 C 0 0 2.1783 2.6281 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 N 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 N 0 0 -1.0028 -1.5132 0.0000 C 0 0 -0.9991 -2.7132 0.0000 O 0 0 -3.6187 1.4919 0.0000 N 0 0 1 5 1 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 11 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 15 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 13 17 1 0 14 15 1 0 15 16 2 0 M END > ZINC00005543 > 2 $$$$ SciTegic07110717472D 18 20 0 0 0 0 999 V2000 4.2449 -4.2972 0.0000 C 0 0 5.7361 -4.1353 0.0000 C 0 0 6.0430 -2.6670 0.0000 S 0 0 4.7415 -1.9214 0.0000 C 0 0 3.6516 -2.9334 0.0000 C 0 0 2.1825 -2.6263 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -0.9991 2.7132 0.0000 O 0 0 -2.3155 0.7475 0.0000 N 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 N 0 0 -3.6187 -1.4919 0.0000 N 0 0 1.7138 1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 3.7889 0.0269 0.0000 I 0 0 1 5 1 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 17 2 0 7 8 1 0 8 14 1 0 8 9 2 0 9 10 1 0 9 16 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 16 17 1 0 17 18 1 0 M END > ZINC00833811 > 2 $$$$ SciTegic07110717472D 18 20 0 0 0 0 999 V2000 4.2449 -4.2972 0.0000 C 0 0 5.7361 -4.1353 0.0000 C 0 0 6.0430 -2.6670 0.0000 S 0 0 4.7415 -1.9214 0.0000 C 0 0 3.6516 -2.9334 0.0000 C 0 0 2.1825 -2.6263 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -0.9991 2.7132 0.0000 O 0 0 -2.3155 0.7475 0.0000 N 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 N 0 0 -3.6187 -1.4919 0.0000 N 0 0 1.7138 1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 3.7889 0.0269 0.0000 Cl 0 0 1 5 1 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 17 2 0 7 8 1 0 8 14 1 0 8 9 2 0 9 10 1 0 9 16 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 16 17 1 0 17 18 1 0 M END > ZINC00016940 > 2 $$$$ SciTegic07110717472D 18 20 0 0 0 0 999 V2000 4.2449 -4.2972 0.0000 C 0 0 5.7361 -4.1353 0.0000 C 0 0 6.0430 -2.6670 0.0000 S 0 0 4.7415 -1.9214 0.0000 C 0 0 3.6516 -2.9334 0.0000 C 0 0 2.1825 -2.6263 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -0.9991 2.7132 0.0000 O 0 0 -2.3155 0.7475 0.0000 N 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 N 0 0 -3.6187 -1.4919 0.0000 N 0 0 1.7138 1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 3.7889 0.0269 0.0000 Br 0 0 1 5 1 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 17 2 0 7 8 1 0 8 14 1 0 8 9 2 0 9 10 1 0 9 16 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 16 17 1 0 17 18 1 0 M END > ZINC00016939 > 2 $$$$ SciTegic07110717472D 18 20 0 0 0 0 999 V2000 1.5170 -5.1957 0.0000 C 0 0 0.2215 -5.9519 0.0000 C 0 0 -0.8980 -4.9534 0.0000 S 0 0 -0.2943 -3.5803 0.0000 C 0 0 1.1836 -3.7464 0.0000 C 0 0 2.1825 -2.6263 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -0.9991 2.7132 0.0000 O 0 0 -2.3155 0.7475 0.0000 N 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 N 0 0 -3.6187 -1.4919 0.0000 N 0 0 1.7138 1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 4.0872 0.0382 0.0000 N 0 0 1 5 1 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 17 2 0 7 8 1 0 8 14 1 0 8 9 2 0 9 10 1 0 9 16 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 16 17 1 0 17 18 1 0 M END > ZINC00014555 > 2 $$$$ SciTegic07110717472D 18 20 0 0 0 0 999 V2000 4.2449 -4.2972 0.0000 C 0 0 5.7361 -4.1353 0.0000 C 0 0 6.0430 -2.6670 0.0000 S 0 0 4.7415 -1.9214 0.0000 C 0 0 3.6516 -2.9334 0.0000 C 0 0 2.1825 -2.6263 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -0.9991 2.7132 0.0000 O 0 0 -2.3155 0.7475 0.0000 N 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 N 0 0 -3.6187 -1.4919 0.0000 N 0 0 1.7138 1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 3.7889 0.0269 0.0000 F 0 0 1 5 1 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 17 2 0 7 8 1 0 8 14 1 0 8 9 2 0 9 10 1 0 9 16 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 16 17 1 0 17 18 1 0 M END > ZINC00005845 > 2 $$$$ SciTegic07110717472D 19 21 0 0 0 0 999 V2000 5.1719 -3.2558 0.0000 C 0 0 3.7802 -3.8226 0.0000 C 0 0 3.8925 -5.3117 0.0000 C 0 0 5.3465 -5.6597 0.0000 C 0 0 6.1207 -4.3828 0.0000 N 0 0 5.7899 -7.0969 0.0000 C 0 0 6.9578 -7.3726 0.0000 O 0 0 4.7396 -8.1953 0.0000 N 0 0 3.2857 -7.8473 0.0000 C 0 0 2.8465 -6.3924 0.0000 N 0 0 2.5054 -3.0355 0.0000 C 0 0 0.6295 -2.3918 0.0000 C 0 0 -0.8615 -2.5554 0.0000 C 0 0 1 0 0 0 -1.1667 -4.0240 0.0000 C 0 0 2 0 0 0 0.1357 -4.7681 0.0000 C 0 0 -2.3600 -3.1360 0.0000 O 0 0 -0.3857 -1.1461 0.0000 C 0 0 1.0808 -0.8267 0.0000 O 0 0 1.1836 -3.7464 0.0000 N 0 3 1 5 1 0 1 2 2 0 2 3 1 0 2 11 1 0 3 10 1 0 3 4 2 0 4 5 1 0 4 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 2 0 11 19 1 0 12 13 1 0 12 19 1 0 13 14 1 0 13 17 1 1 14 15 1 0 14 16 1 6 15 19 1 0 17 18 1 0 M CHG 1 19 1 M END > ZINC04617930 > 2 $$$$ SciTegic07110717472D 18 20 0 0 0 0 999 V2000 -0.8278 5.9779 0.0000 C 0 0 -1.2937 4.5521 0.0000 C 0 0 -0.2919 3.4357 0.0000 C 0 0 1.1759 3.7451 0.0000 C 0 0 1.6418 5.1709 0.0000 C 0 0 0.6399 6.2873 0.0000 C 0 0 2.1783 2.6281 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 N 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 N 0 0 -1.0028 -1.5132 0.0000 C 0 0 -0.9991 -2.7132 0.0000 O 0 0 -3.6187 1.4919 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 8 1 0 8 12 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 16 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 18 1 0 15 16 1 0 16 17 2 0 M END > ZINC00005887 > 3 $$$$ SciTegic07110717472D 18 20 0 0 0 0 999 V2000 -1.2937 4.5521 0.0000 C 0 0 -0.2919 3.4357 0.0000 C 0 0 1.1759 3.7451 0.0000 C 0 0 1.6418 5.1709 0.0000 C 0 0 0.6399 6.2873 0.0000 N 0 0 -0.8278 5.9779 0.0000 C 0 0 2.1783 2.6281 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 N 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 N 0 0 -1.0028 -1.5132 0.0000 C 0 0 -0.9991 -2.7132 0.0000 O 0 0 -3.6187 1.4919 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 7 1 0 4 5 2 0 5 6 1 0 7 8 1 0 8 12 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 16 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 18 1 0 15 16 1 0 16 17 2 0 M END > ZINC00005610 > 3 $$$$ SciTegic07110717472D 20 22 0 0 0 0 999 V2000 -0.8282 5.9776 0.0000 C 0 0 -1.2939 4.5518 0.0000 C 0 0 -0.2920 3.4355 0.0000 C 0 0 1.1758 3.7451 0.0000 C 0 0 1.6415 5.1709 0.0000 C 0 0 0.6396 6.2872 0.0000 C 0 0 2.1783 2.6282 0.0000 C 0 0 1 0 0 0 3.6473 2.9353 0.0000 C 0 0 4.6486 1.8172 0.0000 O 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 N 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 N 0 0 -1.0028 -1.5132 0.0000 C 0 0 -0.9991 -2.7132 0.0000 O 0 0 -3.6187 1.4919 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 8 1 1 7 10 1 0 8 9 1 0 10 14 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 18 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 16 20 1 0 17 18 1 0 18 19 2 0 M END > ZINC00017532 > 3 $$$$ SciTegic07110717472D 21 23 0 0 0 0 999 V2000 -0.8282 5.9776 0.0000 C 0 0 -1.2939 4.5518 0.0000 C 0 0 -0.2920 3.4355 0.0000 C 0 0 1.1758 3.7451 0.0000 C 0 0 1.6415 5.1709 0.0000 C 0 0 0.6396 6.2872 0.0000 C 0 0 2.1783 2.6282 0.0000 C 0 0 1 0 0 0 3.6473 2.9353 0.0000 C 0 0 4.6486 1.8172 0.0000 C 0 0 5.4491 0.9233 0.0000 N 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 N 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 N 0 0 -1.0028 -1.5132 0.0000 C 0 0 -0.9991 -2.7132 0.0000 O 0 0 -3.6187 1.4919 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 8 1 1 7 11 1 0 8 9 1 0 9 10 3 0 11 15 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 19 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 17 21 1 0 18 19 1 0 19 20 2 0 M END > ZINC00008391 > 3 $$$$ SciTegic07110717472D 21 23 0 0 0 0 999 V2000 0.6396 6.2872 0.0000 C 0 0 -0.8282 5.9776 0.0000 C 0 0 -1.2939 4.5518 0.0000 C 0 0 -0.2920 3.4355 0.0000 C 0 0 1.1758 3.7451 0.0000 C 0 0 1.6415 5.1709 0.0000 C 0 0 2.1783 2.6282 0.0000 C 0 0 2 0 0 0 3.6473 2.9353 0.0000 C 0 0 4.6486 1.8172 0.0000 O 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 N 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 N 0 0 -1.0028 -1.5132 0.0000 C 0 0 -0.9991 -2.7132 0.0000 O 0 0 -3.6187 1.4919 0.0000 N 0 0 -0.6646 2.2948 0.0000 F 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 21 1 0 5 6 1 0 5 7 1 0 7 8 1 6 7 10 1 0 8 9 1 0 10 14 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 18 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 16 20 1 0 17 18 1 0 18 19 2 0 M END > ZINC00007497 > 3 $$$$ SciTegic07110717472D 22 24 0 0 0 0 999 V2000 -1.2939 4.5518 0.0000 C 0 0 -0.2920 3.4355 0.0000 C 0 0 1.1758 3.7451 0.0000 C 0 0 1.6415 5.1709 0.0000 C 0 0 0.6396 6.2872 0.0000 C 0 0 -0.8281 5.9776 0.0000 C 0 0 1.0122 7.4279 0.0000 Cl 0 0 2.1783 2.6282 0.0000 C 0 0 1 0 0 0 3.6473 2.9353 0.0000 C 0 0 4.6486 1.8172 0.0000 C 0 0 5.4491 0.9233 0.0000 N 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 N 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 N 0 0 -1.0028 -1.5132 0.0000 C 0 0 -0.9991 -2.7132 0.0000 O 0 0 -3.6187 1.4919 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 1 8 12 1 0 9 10 1 0 10 11 3 0 12 16 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 20 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 22 1 0 19 20 1 0 20 21 2 0 M END > ZINC00005684 > 3 $$$$ SciTegic07110717472D 22 24 0 0 0 0 999 V2000 3.4288 0.4124 0.0000 C 0 0 2.1886 -0.4362 0.0000 C 0 0 1.0082 0.4785 0.0000 C 0 0 1.5195 1.8834 0.0000 C 0 0 3.0117 1.8253 0.0000 N 0 0 0.5650 3.0457 0.0000 C 0 0 0.9789 4.1720 0.0000 O 0 0 -0.9304 2.7751 0.0000 N 0 0 -1.4417 1.3702 0.0000 C 0 0 -0.4701 0.2017 0.0000 N 0 0 -2.9210 1.1165 0.0000 N 0 0 2.6574 -1.8593 0.0000 C 0 0 2 0 0 0 1.6551 -2.9763 0.0000 C 0 0 0.1863 -2.6677 0.0000 C 0 0 -0.6151 -3.5609 0.0000 O 0 0 4.1265 -2.1662 0.0000 C 0 0 2 0 0 0 5.5853 -1.9182 0.0000 C 0 0 6.5140 -3.0960 0.0000 C 0 0 5.9584 -4.4893 0.0000 C 0 0 4.4739 -4.7047 0.0000 C 0 0 3.5451 -3.5269 0.0000 C 0 0 -0.1868 -1.5272 0.0000 O 0 5 1 5 1 0 1 2 2 0 2 3 1 0 2 12 1 0 3 10 1 0 3 4 2 0 4 5 1 0 4 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 12 13 1 1 12 16 1 0 13 14 1 0 14 15 2 0 14 22 1 0 16 21 1 6 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 M CHG 1 22 -1 M END > ZINC03788825 > 3 $$$$ SciTegic07110717472D 22 24 0 0 0 0 999 V2000 -0.8282 5.9776 0.0000 C 0 0 -1.2939 4.5518 0.0000 C 0 0 -0.2920 3.4355 0.0000 C 0 0 1.1758 3.7451 0.0000 C 0 0 1.6415 5.1709 0.0000 C 0 0 0.6396 6.2872 0.0000 C 0 0 2.1783 2.6282 0.0000 C 0 0 1 0 0 0 3.6473 2.9353 0.0000 C 0 0 4.6486 1.8172 0.0000 C 0 0 5.8232 2.0628 0.0000 O 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 N 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 N 0 0 -1.0028 -1.5132 0.0000 C 0 0 -0.9991 -2.7132 0.0000 O 0 0 -3.6187 1.4919 0.0000 N 0 0 4.2743 0.6771 0.0000 O 0 5 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 8 1 1 7 11 1 0 8 9 1 0 9 10 2 0 9 22 1 0 11 15 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 19 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 17 21 1 0 18 19 1 0 19 20 2 0 M CHG 1 22 -1 M END > ZINC03788820 > 3 $$$$ SciTegic07110717472D 22 24 0 0 0 0 999 V2000 -2.2299 1.7022 0.0000 C 0 0 -0.7609 2.0098 0.0000 O 0 0 -0.2920 3.4355 0.0000 C 0 0 -1.2939 4.5518 0.0000 C 0 0 -0.8281 5.9776 0.0000 C 0 0 0.6396 6.2872 0.0000 C 0 0 1.6415 5.1709 0.0000 C 0 0 1.1758 3.7451 0.0000 C 0 0 2.1783 2.6282 0.0000 C 0 0 1 0 0 0 1.7148 1.2007 0.0000 C 0 0 2.7186 0.0849 0.0000 O 0 0 3.6448 2.9366 0.0000 C 0 0 4.7288 1.9390 0.0000 C 0 0 6.0375 2.6775 0.0000 N 0 0 5.7374 4.1404 0.0000 C 0 0 4.2511 4.3013 0.0000 C 0 0 3.6291 5.6707 0.0000 N 0 0 4.5317 6.8933 0.0000 C 0 0 6.0180 6.7324 0.0000 N 0 0 6.6380 5.3449 0.0000 C 0 0 7.8306 5.2121 0.0000 O 0 0 3.9319 8.2691 0.0000 N 0 0 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 1 6 9 12 1 0 10 11 1 0 12 16 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 20 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 22 1 0 19 20 1 0 20 21 2 0 M END > ZINC00017533 > 3 $$$$ SciTegic07110717472D 22 24 0 0 0 0 999 V2000 -0.8282 5.9776 0.0000 C 0 0 -1.2939 4.5518 0.0000 C 0 0 -0.2920 3.4355 0.0000 C 0 0 1.1758 3.7451 0.0000 C 0 0 1.6415 5.1709 0.0000 C 0 0 0.6396 6.2872 0.0000 C 0 0 2.1783 2.6282 0.0000 C 0 0 1 0 0 0 3.6473 2.9353 0.0000 C 0 0 4.6486 1.8172 0.0000 C 0 0 4.2743 0.6771 0.0000 O 0 0 6.1176 2.1244 0.0000 N 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 N 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 N 0 0 -1.0028 -1.5132 0.0000 C 0 0 -0.9991 -2.7132 0.0000 O 0 0 -3.6187 1.4919 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 8 1 1 7 12 1 0 8 9 1 0 9 10 2 0 9 11 1 0 12 16 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 20 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 22 1 0 19 20 1 0 20 21 2 0 M END > ZINC00008393 > 3 $$$$ SciTegic07110717472D 23 25 0 0 0 0 999 V2000 -1.2939 4.5518 0.0000 C 0 0 -0.2920 3.4355 0.0000 C 0 0 1.1758 3.7451 0.0000 C 0 0 1.6415 5.1709 0.0000 C 0 0 0.6396 6.2872 0.0000 C 0 0 -0.8281 5.9776 0.0000 C 0 0 1.0122 7.4279 0.0000 Cl 0 0 2.1783 2.6282 0.0000 C 0 0 2 0 0 0 3.6473 2.9353 0.0000 C 0 0 4.6486 1.8172 0.0000 C 0 0 5.8232 2.0628 0.0000 O 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 N 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 N 0 0 -1.0028 -1.5132 0.0000 C 0 0 -0.9991 -2.7132 0.0000 O 0 0 -3.6187 1.4919 0.0000 N 0 0 4.2743 0.6771 0.0000 O 0 5 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 8 1 0 4 5 2 0 5 6 1 0 5 7 1 0 8 9 1 6 8 12 1 0 9 10 1 0 10 11 2 0 10 23 1 0 12 16 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 20 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 22 1 0 19 20 1 0 20 21 2 0 M CHG 1 23 -1 M END > ZINC03797941 > 3 $$$$ SciTegic07110717472D 24 26 0 0 0 0 999 V2000 -0.2920 3.4355 0.0000 C 0 0 -1.2939 4.5518 0.0000 C 0 0 -0.8281 5.9776 0.0000 C 0 0 0.6396 6.2872 0.0000 C 0 0 1.6415 5.1709 0.0000 C 0 0 1.1758 3.7451 0.0000 C 0 0 2.1783 2.6282 0.0000 C 0 0 1 0 0 0 3.6473 2.9353 0.0000 C 0 0 4.6486 1.8172 0.0000 C 0 0 5.4491 0.9233 0.0000 N 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 N 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 N 0 0 -1.0028 -1.5132 0.0000 C 0 0 -0.9991 -2.7132 0.0000 O 0 0 -3.6187 1.4919 0.0000 N 0 0 2.8157 5.4186 0.0000 Cl 0 0 1.0122 7.4279 0.0000 Cl 0 0 -2.4681 4.3041 0.0000 Cl 0 0 1 6 2 0 1 2 1 0 2 3 2 0 2 24 1 0 3 4 1 0 4 5 2 0 4 23 1 0 5 6 1 0 5 22 1 0 6 7 1 0 7 8 1 1 7 11 1 0 8 9 1 0 9 10 3 0 11 15 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 19 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 17 21 1 0 18 19 1 0 19 20 2 0 M END > ZINC03788814 > 3 $$$$ SciTegic07110717472D 28 30 0 0 0 0 999 V2000 6.1391 0.6124 0.0000 C 0 0 7.4409 1.4162 0.0000 C 0 0 1 0 0 0 7.4887 -0.0838 0.0000 C 0 0 6.1176 2.1244 0.0000 C 0 0 6.4919 3.2645 0.0000 O 0 0 4.6486 1.8172 0.0000 O 0 0 3.6473 2.9353 0.0000 C 0 0 2.1783 2.6282 0.0000 C 0 0 1 0 0 0 1.1758 3.7451 0.0000 C 0 0 1.6415 5.1709 0.0000 C 0 0 0.6396 6.2872 0.0000 C 0 0 -0.8281 5.9776 0.0000 C 0 0 -1.2939 4.5518 0.0000 C 0 0 -0.2920 3.4355 0.0000 C 0 0 -0.6646 2.2948 0.0000 F 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 N 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 N 0 0 -1.0028 -1.5132 0.0000 C 0 0 -0.9991 -2.7132 0.0000 O 0 0 -3.6187 1.4919 0.0000 N 0 0 8.7163 2.2073 0.0000 O 0 0 10.0395 1.4991 0.0000 C 0 0 1 2 1 0 2 3 1 0 2 4 1 0 2 27 1 1 4 5 2 0 4 6 1 0 6 7 1 0 8 7 1 6 8 9 1 0 8 16 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 16 20 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 24 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 22 26 1 0 23 24 1 0 24 25 2 0 27 28 1 0 M END > ZINC01489212 > 3 $$$$ SciTegic07110717472D 19 21 0 0 0 0 999 V2000 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 N 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 N 0 0 -0.9971 3.0138 0.0000 N 0 0 2.1826 -2.6263 0.0000 C 0 0 1 0 0 0 2.5442 -4.0446 0.0000 C 0 0 1 0 0 0 1.2490 -4.8011 0.0000 C 0 0 1 0 0 0 0.1292 -3.8031 0.0000 C 0 0 2 0 0 0 0.7323 -2.4297 0.0000 O 0 0 -0.8540 -2.6869 0.0000 C 0 0 -2.3300 -2.9587 0.0000 O 0 0 2.4705 -5.6499 0.0000 O 0 0 2.7116 -5.5237 0.0000 O 0 0 1 5 1 0 1 2 2 0 2 3 1 0 3 4 1 0 11 3 1 1 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 10 1 0 7 8 2 0 8 9 1 0 11 15 1 0 11 12 1 0 12 13 1 0 12 19 1 6 13 14 1 0 13 18 1 6 14 15 1 0 14 16 1 1 16 17 1 0 M END > ZINC03832269 > 4 $$$$ SciTegic07110717472D 19 21 0 0 0 0 999 V2000 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 N 0 0 -1.0028 -1.5132 0.0000 C 0 0 -0.9991 -2.7132 0.0000 O 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 N 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 N 0 0 1.7138 -1.2033 0.0000 N 0 0 2.1784 2.6281 0.0000 C 0 0 1 0 0 0 2.7264 3.9852 0.0000 C 0 0 1 0 0 0 4.2182 3.8284 0.0000 C 0 0 1 0 0 0 4.5300 2.3612 0.0000 C 0 0 2 0 0 0 3.2310 1.6112 0.0000 O 0 0 4.6618 0.8795 0.0000 C 0 0 3.4480 -0.0031 0.0000 O 0 0 3.7359 5.2356 0.0000 O 0 0 3.4669 5.2766 0.0000 O 0 0 1 7 2 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 10 1 0 5 6 2 0 6 7 1 0 6 8 1 0 8 9 2 0 11 8 1 1 9 10 1 0 11 15 1 0 11 12 1 0 12 13 1 0 12 19 1 6 13 14 1 0 13 18 1 6 14 15 1 0 14 16 1 1 16 17 1 0 M END > ZINC04617931 > 4 $$$$ SciTegic07110717472D 20 22 0 0 0 0 999 V2000 -3.6202 1.4892 0.0000 C 0 0 -2.3155 0.7475 0.0000 N 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 1 0 0 0 0.2917 0.7475 0.0000 C 0 0 2 0 0 0 -1.0028 1.5132 0.0000 C 0 0 1 0 0 0 -0.9971 3.0138 0.0000 N 0 0 1.7138 1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 N 0 0 1.7138 -1.2033 0.0000 C 0 0 2.1826 -2.6263 0.0000 C 0 0 1 0 0 0 2.7349 -3.9817 0.0000 C 0 0 1 0 0 0 4.2262 -3.8203 0.0000 C 0 0 1 0 0 0 4.5335 -2.3521 0.0000 C 0 0 2 0 0 0 3.2321 -1.6061 0.0000 O 0 0 4.6606 -0.8700 0.0000 C 0 0 3.4440 0.0088 0.0000 O 0 0 3.7483 -5.2289 0.0000 O 0 0 3.4795 -5.2708 0.0000 O 0 0 1 2 1 0 2 7 1 0 2 3 1 0 3 4 1 0 5 4 1 1 5 11 1 0 5 6 1 0 6 7 1 0 6 9 1 6 7 8 1 6 9 10 1 0 10 11 2 0 12 11 1 6 12 16 1 0 12 13 1 0 13 14 1 0 13 20 1 1 14 15 1 0 14 19 1 1 15 16 1 0 15 17 1 6 17 18 1 0 M END > ZINC04617929 > 4 $$$$