0 B10R0.74 [*]NC(=O)CCCCCCC C16236 [0,0,0,0,0,0|2,0,0]=2 1 B10R0.74 [*]SC(=O)CCCCCCC C05752 [0,0,0,0,0,0|2,0,0]=2 2 B10R0.74 [*]SC(=O)\C=C\CCCCC C05751 [0,0,0,0,0,0|2,0,2]=4 3 B9R0.2 CCCCCCCC(=O)O C06423 [1,0,0,0,0,0|1,0,0]=2 4 B9R0.2 CC\C=C/CCOC(C)=O C19757 [1,0,0,0,0,0|1,0,2]=4 5 B9R0.2 O=C(O)CCCCCCS C16593 [1,0,0,0,0,0|2,0,0]=3 6 B9R0.2 O=CCCCCCC(=O)O C16590 [1,0,0,0,0,0|2,0,1]=4 7 B9R0.45 CCCCCCCCCO C14696 [1,0,0,0,0,0|1,0,1]=3 8 B9R0.45 CSCCCCC\C=N\O C17246 [1,0,0,0,0,0|3,0,0]=4 9 B9R0.45 OCCCCCCCCO C14218 [1,0,0,0,0,0|2,0,1]=4 10 B9R0.46 CCCCCCC(O)CO C14273 [1,0,0,0,0,0|1,0,2]=4 11 B9R0.46 [*]CCCCCC(=O)N[*] C19492 [1,0,0,0,0,0|3,0,0]=4 12 B11R0.4 CCCCCCCC(=O)OCC C12292 [0,1,0,0,0,0|0,0,0]=1 13 B11R0.42 CSCCCCCC(=O)C(=O)O C17220 [0,1,0,0,0,0|2,0,1]=4 14 B11R0.106 COC(=O)CCCCC(=O)OC C14570 [0,1,0,0,0,0|2,0,1]=4 15 B11R0.154 [*]SC(=O)CC(=O)CCCCC C05750 [0,1,0,0,0,0|2,0,1]=4 16 B11R0.154 [*]SC(=O)C[C@H](O)CCCCC C04620 [0,1,0,0,0,0|2,0,0]=3 17 B11R1.27 CCCCC[C@H]1CCC(=O)O1 C08501 [0,0,0,1,0,0|1,0,0]=2 18 B8R0.4 CCCCCCCC=O C01545 [2,0,0,0,0,0|0,0,0]=2 19 B8R0.4 CCCCCCCCN C01740 [2,0,0,0,0,0|1,0,0]=3 20 B8R0.4 CCCCCCCCO C00756 [2,0,0,0,0,0|1,0,0]=3 21 B8R0.4 CCCCC\C=C\C=O C21138 [2,0,0,0,0,0|0,0,2]=4 22 B8R0.7 CC(=O)NCCCCN C02714 [2,0,0,0,0,0|2,0,0]=4 23 B8R0.7 CCCCCCC(=O)O C17714 [2,0,0,0,0,0|1,0,0]=3 24 B8R0.7 NCCCCCC(=O)O C02378 [2,0,0,0,0,0|2,0,0]=4 25 B8R0.7 O=C(O)CCCCCO C06103 [2,0,0,0,0,0|2,0,0]=4 26 B8R0.6 CCCCCC(=O)CC C17145 [2,0,0,0,0,0|0,0,0]=2 27 B8R0.6 CCCCCC(=O)NC C02722 [2,0,0,0,0,0|1,0,0]=3 28 B8R0.6 CCCCCC(O)CC C17144 [2,0,0,0,0,0|0,0,2]=4 29 B8R0.6 [*]SC(=O)CCCCC C05749 [2,0,0,0,0,0|2,0,0]=4 30 B10R0.4 CCCCCCCCC(=O)O C01601 [1,1,0,0,0,0|1,0,0]=3 31 B10R0.6 CCCCCC(O)CC(=O)O C20793 [1,1,0,0,0,0|1,0,0]=3 32 B10R0.75 CNCCCC[C@H](N)C(=O)O C02728 [1,1,0,0,0,0|2,0,0]=4 33 B10R0.75 CSCCCC[C@H](N)C(=O)O C17217 [1,1,0,0,0,0|2,0,0]=4 34 B10R0.71 CCCCCCCCCC=O C12307 [1,1,0,0,0,0|0,0,2]=4 35 B10R0.71 CCCCCCCCCCO C01633 [1,1,0,0,0,0|0,0,1]=3 36 B10R0.71 CSCCCCCC\C=N\O C17249 [1,1,0,0,0,0|2,0,0]=4 37 B12R0.4 CCCCCCCC(=O)CC(=O)O C20714 [0,2,0,0,0,0|0,0,1]=3 38 B12R0.276 [*]NC(=O)CCCCC(S)CCS C02972 [0,2,0,0,0,0|2,0,0]=4 39 B12R0.276 [*]NC(=O)CCCCC(S)CCS C15973 [0,2,0,0,0,0|2,0,0]=4 40 B12R0.276 [*]NC(=O)CCCC[C@@H](S)CCS C16832 [0,2,0,0,0,0|2,0,0]=4 41 B12R0.248 CCCCCCCCCC(=O)NO C12889 [0,2,0,0,0,0|2,0,0]=4 42 B12R0.248 [*]SC(=O)CCCCCCCCC C05755 [0,2,0,0,0,0|2,0,0]=4 43 B12R0.248 [*]SC(=O)C\C=C/CCCCCC C04180 [0,2,0,0,0,0|2,0,0]=4 44 B12R0.248 [*]SC(=O)\C=C\CCCCCCC C05754 [0,2,0,0,0,0|2,0,0]=4 45 B12R0.251 CCCCCCCCC(=O)C(=O)O C13945 [0,2,0,0,0,0|1,0,1]=4 46 B12R0.251 CSCCCCCCC(=O)C(=O)O C17224 [0,2,0,0,0,0|1,0,1]=4 47 B12R0.42 CC(N)C(=O)CCCCCC(=O)O C01092 [0,2,0,0,0,0|1,0,1]=4 48 B10R1.18 CC(=O)CC1CCCCN1 C06182 [1,0,0,1,0,0|1,0,0]=3 49 B10R1.18 CC(=O)OC1CCCCC1 C12297 [1,0,0,1,0,0|1,0,0]=3 50 B10R1.64 CC(=O)C[C@@H]1CCCN1C C11359 [1,0,0,1,0,0|1,0,0]=3 51 B10R1.64 CC(=O)C[C@H]1CCCN1C C06179 [1,0,0,1,0,0|1,0,0]=3 52 B10R1.348 O=C(O)C1CCCCCC1 C12104 [1,0,0,1,0,0|1,0,0]=3 53 B10R1.4 CCC[C@H]1CCCCN1C C10159 [1,0,0,1,0,0|1,0,1]=4 54 B12R1.1564 CCSC(=O)N1CCCCCC1 C11086 [0,1,0,1,0,0|1,0,0]=3