0 B8R0.4 CCCCCCCC=O C01545 [0,0,0,0,0,0|0,0,4]=4 1 B8R0.4 CCCCCCCCN C01740 [0,0,0,0,0,0|1,0,2]=3 2 B8R0.4 CCCCCCCCO C00756 [0,0,0,0,0,0|0,0,2]=2 3 B8R0.4 CCCCC\C=C\C=O C21138 [0,0,0,0,0,0|2,0,1]=3 4 B7R0.1 CCCCCCC=O C14390 [1,0,0,0,0,0|0,0,3]=4 5 B7R0.1 CCCCCCCC C01387 [1,0,0,0,0,0|0,0,2]=3 6 B7R0.1 CCCCOCCO C19355 [1,0,0,0,0,0|1,0,1]=3 7 B7R0.1 CCCSSCCC C08373 [1,0,0,0,0,0|2,0,1]=4 8 B9R0.2 CCCCCCCC(=O)O C06423 [0,1,0,0,0,0|0,0,3]=4 9 B9R0.2 CC\C=C/CCOC(C)=O C19757 [0,1,0,0,0,0|1,0,2]=4 10 B9R0.18 CS\C=C\C(=O)NCCO C20204 [0,1,0,0,0,0|2,0,1]=4 11 B9R0.45 CCCCCCCCCO C14696 [0,1,0,0,0,0|0,0,2]=3 12 B9R0.45 CC\C=C/CC\C=C\C=O C08499 [0,1,0,0,0,0|0,0,3]=4 13 B9R0.45 CC\C=C/C\C=C/CC=O C16323 [0,1,0,0,0,0|0,0,3]=4 14 B9R0.45 NCCCCNCCCN C00315 [0,1,0,0,0,0|2,0,1]=4 15 B9R0.45 NCCC\C=N\CCCN C15853 [0,1,0,0,0,0|2,0,1]=4 16 B9R0.45 OCCCCCCCCO C14218 [0,1,0,0,0,0|0,0,2]=3 17 B9R0.46 CCCCCCC(O)CO C14273 [0,1,0,0,0,0|0,0,2]=3 18 B9R1.8 CCCC1=NCCCC1 C10138 [0,0,0,1,0,0|1,0,1]=3 19 B9R1.8 CCC[C@H]1CCCCN1 C06523 [0,0,0,1,0,0|1,0,2]=4 20 B6R0.6 CCCCCCN C08306 [2,0,0,0,0,0|1,0,0]=3 21 B6R0.6 CCCCOC=O C21713 [2,0,0,0,0,0|2,0,0]=4 22 B6R0.6 CCC\C=C\C=O C08497 [2,0,0,0,0,0|1,0,1]=4 23 B6R0.6 CC\C=C/CC=O C16310 [2,0,0,0,0,0|0,0,2]=4 24 B6R0.6 CC\C=C/CCO C08492 [2,0,0,0,0,0|0,0,0]=2 25 B6R0.6 CNCCCCN C02723 [2,0,0,0,0,0|2,0,0]=4 26 B6R0.6 NCCCCC=O C12455 [2,0,0,0,0,0|2,0,0]=4 27 B6R0.6 NCCCCCN C01672 [2,0,0,0,0,0|2,0,0]=4 28 B6R0.6 OCCNCCO C06772 [2,0,0,0,0,0|2,0,0]=4 29 B6R0.6 OCCOCCO C14689 [2,0,0,0,0,0|2,0,0]=4 30 B8R0.6 CCCCCC(=O)CC C17145 [1,1,0,0,0,0|0,0,1]=3 31 B8R0.6 CCCCCC(=O)NC C02722 [1,1,0,0,0,0|1,0,1]=4 32 B8R0.6 CCCCCC(O)CC C17144 [1,1,0,0,0,0|0,0,2]=4 33 B8R0.6 OCCCCC(O)CO C20334 [1,1,0,0,0,0|1,0,1]=4 34 B8R0.6 [*]\C=C/OC[C@@H](O)CO C15645 [1,1,0,0,0,0|2,0,0]=4 35 B8R0.7 CC(=O)NCCCCN C02714 [1,1,0,0,0,0|2,0,0]=4 36 B8R0.7 CCCCCCC(=O)O C17714 [1,1,0,0,0,0|0,0,2]=4 37 B8R0.7 N=C(N)NCCCCO C17146 [1,1,0,0,0,0|2,0,0]=4 38 B8R0.7 O=C(O)CCCCCO C06103 [1,1,0,0,0,0|1,0,1]=4 39 B10R0.3 CC(C)=CCC[C@@H](C)CCO C09849 [0,2,0,0,0,0|0,0,2]=4 40 B10R0.3 CC(C)=CCC[C@H](C)CCO C11386 [0,2,0,0,0,0|0,0,2]=4 41 B10R0.4 CCCCCCCCC(=O)O C01601 [0,2,0,0,0,0|0,0,2]=4 42 B10R0.2 CCC[C@@H](O)CC(=O)OCC C03864 [0,2,0,0,0,0|2,0,0]=4 43 B10R0.2 CCC[C@H](O)CC(=O)OCC C03865 [0,2,0,0,0,0|2,0,0]=4 44 B10R0.71 CCCCCCCCCCO C01633 [0,2,0,0,0,0|0,0,2]=4 45 B8R1.2 C=CC1CC=CCC1 C19310 [1,0,0,1,0,0|0,0,2]=4 46 B8R1.5 O=C1CCCCC1O C01147 [1,0,0,1,0,0|1,0,1]=4 47 B8R1.5 O[C@@H]1CCCC[C@H]1O C03739 [1,0,0,1,0,0|1,0,1]=4 48 B8R1.5 O[C@H]1CCCC[C@H]1O C12313 [1,0,0,1,0,0|1,0,1]=4 49 B8R1.22 O=C1CCCCCO1 C01880 [1,0,0,1,0,0|1,0,1]=4 50 B10R1.2 CCC1=CC=C[C@H](O)[C@@H]1O C06727 [0,1,0,1,0,0|0,0,2]=4