0 B11R0.4 CCCCCC#CC(=O)OCC SBB008812 [0,0,0,0,0,0|0,0,2]=2 1 B11R0.4 CCCCCCCC(=O)OCC SBB061059 [0,0,0,0,0,0|0,0,2]=2 2 B11R0.4 CCCCCCOC(=O)CCC SBB061110 [0,0,0,0,0,0|2,0,1]=3 3 B11R0.4 CCCCNCCC(=O)OCC SBB056920 [0,0,0,0,0,0|1,0,2]=3 4 B11R0.4 CCCCSCCC(=O)OCC SBB001706 [0,0,0,0,0,0|1,0,2]=3 5 B10R0.1 CCCCC#CC(=O)OCC SBB008804 [1,0,0,0,0,0|0,0,2]=3 6 B10R0.1 CCCCCCC(=O)OCC SBB061117 [1,0,0,0,0,0|0,0,1]=2 7 B10R0.1 CCCCCOC(=O)CCC SBB060758 [1,0,0,0,0,0|2,0,0]=3 8 B10R0.1 CCOC(=O)CCCCCBr SBB006556 [1,0,0,0,0,0|1,0,1]=3 9 B10R0.71 CCCCCCCCOCC SBB061155 [1,0,0,0,0,0|0,0,3]=4 10 B10R0.71 CCCCC\C=C\C=C\C=O SBB066368 [1,0,0,0,0,0|2,0,1]=4 11 B10R0.71 CCCC\C=C\CCCCO SBB008885 [1,0,0,0,0,0|2,0,1]=4 12 B10R0.74 CCCCCC#CC(=O)OC SBB009081 [1,0,0,0,0,0|0,0,2]=3 13 B10R0.74 CCCCCCCC(=O)OC SBB060592 [1,0,0,0,0,0|0,0,2]=3 14 B10R0.74 CCCCCCNC(=O)CCl SBB017392 [1,0,0,0,0,0|2,0,1]=4 15 B10R0.74 CCCCCCOC(=O)CCl SBB061569 [1,0,0,0,0,0|2,0,1]=4 16 B10R0.74 CCCCCCOC(=O)CS SBB061229 [1,0,0,0,0,0|2,0,1]=4 17 B12R0.1 CCCCCCCCC(=O)OCC SBB061355 [0,1,0,0,0,0|0,0,2]=3 18 B12R0.1 CCCCOCCOC(=O)CCC SBB061304 [0,1,0,0,0,0|2,0,1]=4 19 B12R1.32 CCOC(=O)CC1CCCCO1 SBB014325 [0,0,0,1,0,0|1,0,2]=4 20 B12R1.32 CCOC(=O)CC1CCNCC1 SBB062746 [0,0,0,1,0,0|1,0,2]=4 21 B12R1.32 CCOC(=O)CN1CCCCC1 SBB057365 [0,0,0,1,0,0|1,0,1]=3 22 B12R1.32 CCOC(=O)CN1CCNCC1 SBB042765 [0,0,0,1,0,0|2,0,1]=4 23 B12R1.51 CCOC(=O)CCN1CCCC1 SBB046590 [0,0,0,1,0,0|1,0,2]=4 24 B12R1.308 CCOC(=O)C1=C(N)CCCC1 SBB072592 [0,0,0,1,0,0|1,0,2]=4 25 B12R1.316 CCOC(=O)C1=CC=NN1CC SBB073843 [0,0,0,1,0,0|2,0,1]=4 26 B9R0.5 CCCC#CC(=O)OCC SBB008805 [2,0,0,0,0,0|0,0,2]=4 27 B9R0.5 CCCCCC(=O)CCC SBB005828 [2,0,0,0,0,0|1,0,0]=3 28 B9R0.5 CCCCCC(=O)OCC SBB060316 [2,0,0,0,0,0|0,0,0]=2 29 B9R0.5 CCCCOC(=O)CCC SBB061107 [2,0,0,0,0,0|2,0,0]=4 30 B9R0.5 CCOC(=O)CCCCBr SBB070781 [2,0,0,0,0,0|1,0,0]=3 31 B9R0.5 CCO\C=C\C(=O)OCC SBB086340 [2,0,0,0,0,0|1,0,0]=3 32 B9R0.46 CCCCC#CC(=O)OC SBB009075 [2,0,0,0,0,0|0,0,2]=4 33 B9R0.46 CCCCCCC(=O)CC SBB007744 [2,0,0,0,0,0|0,0,1]=3 34 B9R0.46 CCCCCCC(=O)OC SBB060317 [2,0,0,0,0,0|0,0,1]=3 35 B9R0.46 CCCCCNC(=O)CCl SBB017391 [2,0,0,0,0,0|2,0,0]=4 36 B9R0.46 CCCCCOC(=O)CC SBB058817 [2,0,0,0,0,0|1,0,0]=3 37 B9R0.46 CCCCCOC(=O)CCl SBB060707 [2,0,0,0,0,0|2,0,0]=4 38 B9R0.46 CCCCCOC(=O)CS SBB061204 [2,0,0,0,0,0|2,0,0]=4 39 B9R0.46 COC(=O)CCCCCN SBB003739 [2,0,0,0,0,0|1,0,1]=4 40 B9R0.2 CCCCCCCC(=O)O SBB060020 [2,0,0,0,0,0|0,0,2]=4 41 B9R0.2 CCCCCCCC(C)=O SBB061540 [2,0,0,0,0,0|0,0,2]=4 42 B9R0.2 CCCCCCOC(C)=O SBB060306 [2,0,0,0,0,0|1,0,1]=4 43 B11R0.62 CCOC(=O)\C=C/C(=O)OCC SBB060698 [1,1,0,0,0,0|1,0,1]=4 44 B11R0.155 CCOC(=O)C(N)CCCCN SBB058160 [1,1,0,0,0,0|1,0,1]=4 45 B13R0.2 CCCCCCCCCC(=O)OCC SBB061060 [0,2,0,0,0,0|0,0,2]=4 46 B11R1.16 CCOC(=O)C1CCCNC1 SBB027354 [1,0,0,1,0,0|1,0,1]=4 47 B11R1.16 CCOC(=O)C1CCNCC1 SBB004006 [1,0,0,1,0,0|1,0,1]=4 48 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 SBB054010 [1,0,0,1,0,0|1,0,1]=4 49 B11R1.16 CCOC(=O)[C@H]1CCCNC1 SBB066252 [1,0,0,1,0,0|1,0,1]=4 50 B11R1.16 N1CCN(C(=O)OCC)CC1 SBB003993 [1,0,0,1,0,0|2,0,0]=4 51 B11R1.30 CCOC(=O)CN1CCCC1 SBB111745 [1,0,0,1,0,0|1,0,1]=4 52 B11R1.1 CCCCC1CCC(=O)CC1 SBB059680 [1,0,0,1,0,0|0,0,2]=4 53 B11R1.214 CCCCC1=CC=C(CC)S1 SBB116851 [1,0,0,1,0,0|0,1,1]=4 54 B13R1.279 O=C1CCCCCCCCCCO1 SBB061611 [0,1,0,1,0,0|0,0,2]=4 55 B13R1.470 CCOC(=O)CN1CCCCC1C SBB046523 [0,1,0,1,0,0|0,0,2]=4 56 B13R1.20 CCOC(=O)CN1CCCC(C)C1 SBB046595 [0,1,0,1,0,0|1,0,1]=4 57 B13R1.33 CCOC(=O)\C=C(/C)N1CCCC1 SBB057865 [0,1,0,1,0,0|1,0,0]=3