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{1 1,2 1,3 1,4 1,17 1,20 1,25 1,26 1,54 1,75 1,78 1,80 1,105 1,114 1,117 1,123 1,151 1,152 1,161 1,170 1,171 1,173 1,181 1,185 1,199 1,215 1,233 1,241 1,265 1,305 1,309 1,338 1,359 1,374 1,407 1,412 1,426 1,429 1,455 1,461 1,462 1,519 1,524 1,574 1,603 1,608 1,612 1,614 1,627 1,669 1,678 1,693 1,695 1,697 1,701 1,714 1,728 1,752 1,760 1,778 1,799 1,804 1,806 1,825 1,838 1,847 1,853 1,872 1,882 1,883 1,884 1,903 1,908 1,925 1,942 1,943 1,945 1,953 1,971 1,983 1,986 1,1004 1,1013 1,1025 5} {0 CHEMBL2114079,1 1,2 1,3 1,4 1,17 1,20 1,25 1,37 1,45 1,54 1,56 1,65 1,78 1,80 1,84 1,87 1,100 1,114 1,123 1,151 1,152 1,156 1,170 1,185 1,188 1,198 1,199 1,233 1,241 1,263 1,265 1,283 1,305 1,309 1,318 1,338 1,374 1,375 1,376 1,412 1,430 1,455 1,461 1,506 1,507 1,524 1,574 1,603 1,612 1,614 1,627 1,628 1,669 1,676 1,693 1,695 1,714 1,728 1,752 1,778 1,799 1,806 1,825 1,838 1,847 1,853 1,872 1,883 1,884 1,908 1,925 1,930 1,942 1,943 1,945 1,953 1,971 1,975 1,983 1,984 1,986 1,990 1,1004 1,1013 1,1014 1,1025 5} {0 CHEMBL2114081,1 1,2 1,3 1,4 1,17 1,20 1,25 1,45 1,54 1,56 1,65 1,78 1,80 1,84 1,114 1,123 1,151 1,152 1,170 1,171 1,185 1,188 1,198 1,199 1,231 1,233 1,241 1,263 1,265 1,283 1,305 1,309 1,310 1,318 1,338 1,351 1,374 1,375 1,376 1,412 1,430 1,455 1,461 1,507 1,524 1,559 1,574 1,603 1,612 1,614 1,627 1,628 1,669 1,676 1,693 1,695 1,714 1,728 1,752 1,763 1,778 1,799 1,804 1,806 1,825 1,838 1,847 1,853 1,872 1,883 1,884 1,908 1,925 1,930 1,942 1,943 1,945 1,947 1,953 1,971 1,975 1,983 1,984 1,986 1,990 1,1000 1,1004 1,1013 1,1025 5} {0 CHEMBL2114082,1 1,2 1,3 1,4 1,17 1,20 1,25 1,39 1,45 1,54 1,56 1,66 1,78 1,80 1,114 1,123 1,145 1,151 1,152 1,161 1,163 1,170 1,171 1,185 1,188 1,195 1,198 1,199 1,233 1,241 1,263 1,265 1,305 1,309 1,338 1,365 1,374 1,375 1,429 1,455 1,461 1,507 1,524 1,574 1,603 1,608 1,612 1,614 1,627 1,628 1,635 1,651 1,668 1,669 1,670 1,693 1,695 1,701 1,714 1,728 1,752 1,778 1,799 1,800 1,804 1,806 1,825 1,827 1,838 1,847 1,853 1,861 1,872 1,883 1,884 1,901 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1,608 1,612 1,627 1,650 1,668 1,669 1,674 1,702 1,713 1,725 1,745 1,782 1,801 1,804 1,821 1,830 1,891 1,898 1,900 1,908 1,923 1,925 1,937 1,947 1,954 1,986 1,1005 1,1025 8.215} {0 CHEMBL151719,1 1,2 1,4 1,14 1,17 1,18 1,25 1,54 1,65 1,107 1,120 1,170 1,171 1,187 1,188 1,199 1,223 1,266 1,270 1,278 1,283 1,289 1,294 1,306 1,331 1,351 1,352 1,376 1,405 1,408 1,412 1,429 1,430 1,453 1,454 1,461 1,562 1,570 1,574 1,576 1,580 1,599 1,603 1,608 1,612 1,627 1,650 1,668 1,669 1,674 1,702 1,713 1,725 1,745 1,782 1,801 1,804 1,821 1,830 1,891 1,898 1,900 1,908 1,923 1,925 1,937 1,947 1,954 1,986 1,1005 1,1025 9.638} {0 CHEMBL357502,1 1,2 1,4 1,14 1,17 1,18 1,25 1,54 1,65 1,107 1,120 1,170 1,171 1,187 1,188 1,199 1,223 1,266 1,270 1,278 1,283 1,289 1,294 1,306 1,331 1,351 1,352 1,376 1,405 1,408 1,412 1,429 1,430 1,453 1,454 1,461 1,562 1,570 1,574 1,576 1,580 1,599 1,603 1,608 1,612 1,627 1,650 1,668 1,669 1,674 1,702 1,713 1,725 1,745 1,782 1,801 1,804 1,821 1,830 1,891 1,898 1,900 1,908 1,923 1,925 1,937 1,947 1,954 1,986 1,1005 1,1025 10.155} {0 CHEMBL358000,1 1,2 1,4 1,14 1,17 1,25 1,32 1,54 1,65 1,107 1,120 1,170 1,171 1,187 1,188 1,199 1,223 1,266 1,278 1,283 1,289 1,294 1,306 1,331 1,351 1,352 1,376 1,412 1,429 1,430 1,453 1,461 1,527 1,562 1,570 1,574 1,576 1,580 1,599 1,603 1,608 1,612 1,627 1,650 1,668 1,669 1,674 1,702 1,713 1,725 1,745 1,782 1,801 1,804 1,821 1,830 1,847 1,891 1,898 1,900 1,908 1,923 1,925 1,937 1,947 1,954 1,986 1,1005 1,1025 8.721} {0 CHEMBL358875,1 1,2 1,4 1,14 1,17 1,18 1,25 1,54 1,65 1,107 1,117 1,120 1,170 1,171 1,187 1,188 1,199 1,223 1,266 1,270 1,278 1,283 1,289 1,294 1,306 1,331 1,351 1,352 1,376 1,405 1,408 1,412 1,429 1,430 1,453 1,454 1,461 1,562 1,570 1,574 1,576 1,580 1,599 1,603 1,608 1,612 1,627 1,650 1,668 1,669 1,674 1,702 1,713 1,725 1,745 1,782 1,801 1,804 1,821 1,830 1,891 1,898 1,900 1,908 1,923 1,925 1,937 1,947 1,954 1,986 1,1005 1,1025 8.699} {0 CHEMBL151483,1 1,2 1,4 1,14 1,17 1,18 1,21 1,25 1,54 1,65 1,107 1,109 1,120 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1,925 1,937 1,947 1,954 1,986 1,1005 1,1023 1,1025 9.42} {0 CHEMBL356191,1 1,2 1,4 1,14 1,17 1,25 1,37 1,54 1,65 1,107 1,109 1,120 1,135 1,170 1,171 1,187 1,188 1,199 1,223 1,266 1,278 1,283 1,289 1,294 1,335 1,351 1,352 1,376 1,412 1,429 1,430 1,453 1,461 1,562 1,570 1,574 1,576 1,580 1,599 1,603 1,608 1,612 1,627 1,650 1,668 1,669 1,674 1,688 1,713 1,725 1,745 1,782 1,801 1,804 1,821 1,847 1,891 1,898 1,900 1,908 1,923 1,925 1,937 1,947 1,954 1,986 1,996 1,1005 1,1025 9.244} {0 CHEMBL356226,1 1,2 1,4 1,14 1,17 1,25 1,54 1,65 1,107 1,109 1,120 1,129 1,170 1,171 1,187 1,188 1,199 1,223 1,266 1,278 1,283 1,289 1,294 1,351 1,352 1,376 1,412 1,429 1,430 1,453 1,461 1,562 1,570 1,574 1,576 1,580 1,599 1,603 1,608 1,612 1,627 1,650 1,668 1,669 1,674 1,688 1,713 1,725 1,745 1,782 1,801 1,804 1,821 1,839 1,847 1,891 1,898 1,900 1,908 1,923 1,925 1,937 1,947 1,954 1,986 1,1005 1,1023 1,1025 9.387} {0 CHEMBL350683,1 1,2 1,4 1,14 1,17 1,18 1,25 1,54 1,65 1,107 1,120 1,170 1,171 1,187 1,188 1,199 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1,755 1,758 1,804 1,839 1,849 1,854 1,925 1,934 1,1025 6.097} {0 CHEMBL340413,1 1,2 1,4 1,8 1,17 1,18 1,25 1,31 1,33 1,55 1,57 1,71 1,88 1,152 1,169 1,170 1,269 1,310 1,319 1,354 1,358 1,360 1,412 1,413 1,417 1,438 1,441 1,464 1,477 1,483 1,498 1,534 1,541 1,561 1,564 1,574 1,585 1,600 1,603 1,649 1,668 1,669 1,680 1,698 1,714 1,727 1,728 1,740 1,755 1,758 1,839 1,849 1,854 1,906 1,925 1,934 1,1017 1,1025 6.222} {0 CHEMBL421438,1 1,2 1,4 1,8 1,17 1,18 1,25 1,31 1,33 1,55 1,57 1,71 1,88 1,133 1,139 1,152 1,169 1,170 1,269 1,310 1,319 1,354 1,358 1,360 1,393 1,412 1,413 1,417 1,438 1,441 1,461 1,464 1,465 1,477 1,483 1,498 1,534 1,541 1,547 1,561 1,574 1,600 1,603 1,649 1,668 1,669 1,680 1,698 1,714 1,727 1,728 1,740 1,755 1,758 1,804 1,839 1,849 1,854 1,925 1,934 1,1025 5.921} {0 CHEMBL123785,1 1,2 1,4 1,8 1,17 1,25 1,31 1,33 1,55 1,57 1,71 1,133 1,139 1,152 1,169 1,170 1,237 1,269 1,310 1,319 1,352 1,354 1,358 1,360 1,393 1,412 1,413 1,417 1,438 1,461 1,464 1,465 1,483 1,491 1,498 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1,986 1,992 1,1025 8.638} {0 CHEMBL24313,1 1,2 1,4 1,8 1,17 1,18 1,20 1,25 1,42 1,47 1,54 1,78 1,103 1,107 1,128 1,148 1,152 1,164 1,170 1,171 1,187 1,195 1,198 1,199 1,246 1,256 1,281 1,283 1,300 1,338 1,360 1,365 1,411 1,412 1,427 1,429 1,455 1,461 1,464 1,492 1,521 1,542 1,544 1,550 1,559 1,560 1,567 1,568 1,574 1,581 1,600 1,603 1,604 1,608 1,609 1,614 1,616 1,620 1,631 1,632 1,634 1,668 1,680 1,683 1,695 1,714 1,724 1,736 1,745 1,750 1,769 1,804 1,833 1,845 1,859 1,925 1,928 1,949 1,974 1,1010 1,1019 1,1024 1,1025 9.08} {0 CHEMBL24276,1 1,2 1,4 1,7 1,8 1,17 1,18 1,20 1,25 1,42 1,47 1,54 1,60 1,69 1,74 1,78 1,99 1,103 1,107 1,128 1,140 1,152 1,157 1,164 1,170 1,171 1,173 1,198 1,199 1,246 1,281 1,283 1,288 1,300 1,331 1,338 1,360 1,411 1,412 1,429 1,461 1,490 1,492 1,514 1,521 1,524 1,540 1,542 1,544 1,550 1,559 1,567 1,568 1,574 1,581 1,600 1,603 1,604 1,609 1,632 1,634 1,658 1,668 1,678 1,680 1,683 1,695 1,708 1,724 1,750 1,769 1,804 1,826 1,833 1,834 1,837 1,845 1,856 1,859 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1,797 1,799 1,838 1,847 1,856 1,873 1,878 1,883 1,884 1,908 1,925 1,942 1,949 1,953 1,973 1,983 1,986 1,1022 1,1025 6.102} {0 CHEMBL418593,1 1,2 1,3 1,4 1,8 1,16 1,17 1,20 1,25 1,33 1,45 1,52 1,54 1,57 1,65 1,78 1,113 1,114 1,123 1,139 1,151 1,164 1,170 1,184 1,199 1,227 1,232 1,253 1,260 1,265 1,284 1,299 1,305 1,319 1,360 1,374 1,375 1,376 1,382 1,396 1,411 1,415 1,417 1,425 1,429 1,436 1,461 1,465 1,472 1,478 1,500 1,516 1,524 1,527 1,528 1,542 1,559 1,574 1,585 1,603 1,612 1,627 1,636 1,640 1,648 1,649 1,668 1,669 1,695 1,697 1,746 1,748 1,752 1,778 1,793 1,797 1,799 1,838 1,847 1,856 1,873 1,878 1,883 1,884 1,908 1,925 1,942 1,949 1,953 1,973 1,983 1,986 1,1022 1,1025 6.265} {0 CHEMBL34037,1 1,2 1,3 1,4 1,8 1,16 1,17 1,20 1,25 1,33 1,45 1,52 1,54 1,57 1,65 1,78 1,113 1,114 1,123 1,139 1,151 1,164 1,170 1,184 1,199 1,227 1,232 1,253 1,260 1,265 1,284 1,299 1,305 1,319 1,360 1,374 1,375 1,376 1,382 1,396 1,411 1,415 1,417 1,425 1,429 1,436 1,461 1,465 1,472 1,478 1,500 1,516 1,524 1,527 1,528 1,542 1,559 1,574 1,585 1,603 1,612 1,627 1,636 1,640 1,648 1,649 1,668 1,669 1,695 1,697 1,746 1,748 1,752 1,778 1,793 1,797 1,799 1,838 1,847 1,856 1,873 1,878 1,883 1,884 1,908 1,925 1,942 1,949 1,953 1,973 1,983 1,986 1,1022 1,1025 6.09} {0 CHEMBL289021,1 1,2 1,3 1,4 1,8 1,16 1,17 1,20 1,25 1,33 1,45 1,54 1,57 1,65 1,78 1,107 1,113 1,114 1,123 1,139 1,151 1,164 1,170 1,184 1,199 1,253 1,260 1,265 1,284 1,299 1,305 1,306 1,319 1,360 1,374 1,375 1,376 1,382 1,396 1,411 1,415 1,417 1,425 1,429 1,436 1,439 1,461 1,465 1,472 1,478 1,516 1,524 1,527 1,528 1,542 1,559 1,574 1,585 1,603 1,612 1,627 1,640 1,648 1,649 1,668 1,669 1,697 1,703 1,746 1,752 1,770 1,778 1,793 1,797 1,799 1,805 1,838 1,847 1,856 1,883 1,884 1,908 1,925 1,930 1,942 1,949 1,953 1,973 1,983 1,986 1,1022 1,1025 7.621} {0 CHEMBL413654,1 1,2 1,3 1,4 1,8 1,17 1,18 1,20 1,25 1,35 1,54 1,55 1,56 1,77 1,78 1,93 1,114 1,123 1,124 1,125 1,151 1,152 1,170 1,171 1,187 1,195 1,199 1,208 1,214 1,215 1,226 1,227 1,229 1,235 1,240 1,241 1,263 1,264 1,265 1,299 1,302 1,305 1,360 1,365 1,374 1,393 1,396 1,397 1,429 1,455 1,461 1,483 1,492 1,494 1,524 1,541 1,551 1,560 1,561 1,574 1,586 1,603 1,608 1,611 1,612 1,614 1,615 1,627 1,653 1,668 1,669 1,675 1,695 1,698 1,714 1,725 1,728 1,729 1,736 1,752 1,765 1,778 1,787 1,799 1,800 1,804 1,805 1,819 1,826 1,837 1,838 1,841 1,847 1,849 1,853 1,859 1,862 1,868 1,872 1,883 1,884 1,888 1,894 1,908 1,925 1,934 1,942 1,943 1,947 1,948 1,953 1,956 1,970 1,971 1,981 1,983 1,986 1,992 1,1001 1,1015 1,1025 6} {0 CHEMBL46843,1 1,2 1,3 1,4 1,8 1,10 1,17 1,20 1,25 1,54 1,56 1,78 1,89 1,98 1,114 1,123 1,132 1,142 1,151 1,152 1,170 1,171 1,182 1,199 1,218 1,222 1,227 1,237 1,250 1,252 1,263 1,265 1,271 1,301 1,304 1,305 1,312 1,317 1,344 1,348 1,349 1,360 1,374 1,429 1,455 1,461 1,462 1,466 1,483 1,507 1,541 1,568 1,574 1,603 1,608 1,612 1,627 1,644 1,648 1,668 1,702 1,714 1,748 1,752 1,765 1,778 1,787 1,799 1,804 1,808 1,809 1,816 1,830 1,838 1,846 1,847 1,875 1,883 1,884 1,920 1,925 1,936 1,942 1,943 1,953 1,964 1,971 1,983 1,986 1,1012 1,1025 7.292} {0 CHEMBL301810,1 1,2 1,4 1,8 1,17 1,25 1,47 1,54 1,78 1,107 1,133 1,148 1,152 1,164 1,170 1,171 1,195 1,198 1,222 1,246 1,256 1,281 1,283 1,300 1,360 1,365 1,376 1,411 1,412 1,429 1,455 1,461 1,464 1,466 1,492 1,542 1,544 1,559 1,560 1,568 1,574 1,581 1,600 1,603 1,604 1,608 1,609 1,614 1,616 1,620 1,631 1,634 1,668 1,680 1,714 1,724 1,736 1,769 1,804 1,840 1,845 1,859 1,883 1,925 1,942 1,949 1,983 1,1010 1,1019 1,1024 1,1025 8.2} {0 CHEMBL64605,1 1,2 1,3 1,4 1,8 1,17 1,18 1,20 1,25 1,45 1,54 1,56 1,78 1,93 1,114 1,123 1,151 1,152 1,170 1,171 1,188 1,195 1,198 1,199 1,227 1,241 1,263 1,265 1,299 1,302 1,305 1,360 1,365 1,374 1,375 1,455 1,461 1,483 1,492 1,507 1,541 1,551 1,560 1,574 1,603 1,608 1,612 1,614 1,615 1,627 1,628 1,668 1,669 1,714 1,736 1,752 1,765 1,778 1,787 1,799 1,800 1,804 1,837 1,838 1,841 1,847 1,853 1,883 1,884 1,925 1,930 1,942 1,943 1,953 1,971 1,975 1,981 1,983 1,1025 8.027}