0 B9R0.45 C#CCCCCCCC#C D89835 [0,0,0,0,0,0|1,0,3]=4 1 B9R0.45 CCCC#CCCCCC D89808 [0,0,0,0,0,0|1,0,3]=4 2 B9R0.45 CCCCCC#CCCO D91697 [0,0,0,0,0,0|0,0,4]=4 3 B9R0.45 CCCCCCC#CCO D91780 [0,0,0,0,0,0|0,0,4]=4 4 B9R0.45 CCCCCCCCCC S11595 [0,0,0,0,0,0|1,0,1]=2 5 B9R0.45 CCCCCCCCCCl D89217 [0,0,0,0,0,0|1,0,1]=2 6 B9R0.45 CCCCCCCCCN D91670 [0,0,0,0,0,0|1,0,1]=2 7 B9R0.45 CCCCCCCCSC D91326 [0,0,0,0,0,0|2,0,0]=2 8 B9R0.45 CCCCCCCN=C=O D91173 [0,0,0,0,0,0|1,0,1]=2 9 B9R0.45 CCCCCC\C=C\CO D91737 [0,0,0,0,0,0|0,0,4]=4 10 B9R0.45 CCCCC\C=C/CCO D91738 [0,0,0,0,0,0|0,0,4]=4 11 B9R0.45 CCCC\C=C/CCCC T71292 [0,0,0,0,0,0|1,0,3]=4 12 B9R0.45 OCCCCCCC#CI AT14269 [0,0,0,0,0,0|2,0,2]=4 13 B8R0.4 C#CCCCCCCC D91672 [1,0,0,0,0,0|0,0,2]=3 14 B8R0.4 C=CCCCCCC=C D91681 [1,0,0,0,0,0|0,0,3]=4 15 B8R0.4 C=CCCCCCCC D91747 [1,0,0,0,0,0|0,0,1]=2 16 B8R0.4 C=CCCCCCCO F14752 [1,0,0,0,0,0|1,0,1]=3 17 B8R0.4 CCCCC#CCCO D91816 [1,0,0,0,0,0|0,0,3]=4 18 B8R0.4 CCCCCC#CCBr D94830 [1,0,0,0,0,0|1,0,2]=4 19 B8R0.4 CCCCCC#CCCl D89416 [1,0,0,0,0,0|1,0,2]=4 20 B8R0.4 CCCCCC#CCO D91880 [1,0,0,0,0,0|0,0,3]=4 21 B8R0.4 CCCCCCCSC D90918 [1,0,0,0,0,0|1,0,1]=3 22 B8R0.4 CCCCCCN=C=O D91170 [1,0,0,0,0,0|1,0,1]=3 23 B8R0.4 CCCCCC\C=C\I AT25372 [1,0,0,0,0,0|1,0,1]=3 24 B8R0.4 CCCCOCCCN 29096 [1,0,0,0,0,0|2,0,0]=3 25 B8R0.4 CCCC[SnH4+2]CCCC D90069 [1,0,0,0,0,0|1,0,1]=3 26 B8R0.4 CCCC\C=C\CCO D91844 [1,0,0,0,0,0|0,0,3]=4 27 B8R0.4 CCC\C=C/CCCC D91694 [1,0,0,0,0,0|0,0,3]=4 28 B8R0.4 CCC\C=C\CCCC D91695 [1,0,0,0,0,0|0,0,3]=4 29 B8R0.4 CC\C=C/CCCCO D91845 [1,0,0,0,0,0|0,0,3]=4 30 B8R0.4 COCCCCCOC D90119 [1,0,0,0,0,0|2,0,1]=4 31 B8R0.4 C\C=C\CCCCCC D91716 [1,0,0,0,0,0|1,0,1]=3 32 B8R0.4 ClCCCCCCCBr D89022 [1,0,0,0,0,0|2,0,0]=3 33 B10R0.1 C=CCCCCC(=O)OCC D86379 [0,1,0,0,0,0|2,0,1]=4 34 B10R0.1 CCCCCCC(=O)CCC D89875 [0,1,0,0,0,0|1,0,2]=4 35 B10R0.1 CCCCCC[C@@H](O)CCC D89845 [0,1,0,0,0,0|1,0,1]=3 36 B10R0.4 CCCCCCCC[C@H](C)O D89844 [0,1,0,0,0,0|0,0,2]=3 37 B10R0.4 CCCCCC\C=C\C(C)=O 74304 [0,1,0,0,0,0|0,0,2]=3 38 B10R0.4 CCCCC\C=C\CC(=O)O T72443 [0,1,0,0,0,0|0,0,2]=3 39 B10R0.4 CCCC\C=C\COC(C)=O D88386 [0,1,0,0,0,0|1,0,2]=4 40 B10R0.4 NCCCCCCCC(=O)O 52149 [0,1,0,0,0,0|1,0,0]=2 41 B10R0.71 C#CCCCCCCCCC D92754 [0,1,0,0,0,0|1,0,1]=3 42 B10R0.71 C#CCOCCCCCCO D86345 [0,1,0,0,0,0|2,0,1]=4 43 B10R0.71 C=CCCCCCCCC=C T71737 [0,1,0,0,0,0|1,0,1]=3 44 B10R0.71 C=CCCCCCCCCC D92764 [0,1,0,0,0,0|1,0,0]=2 45 B10R0.71 CCC#CCCCCCCC D92755 [0,1,0,0,0,0|1,0,2]=4 46 B10R0.71 CCC#CCCCCCCCl D89421 [0,1,0,0,0,0|1,0,2]=4 47 B10R0.71 CCCCCCC#CCCO D89825 [0,1,0,0,0,0|0,0,3]=4 48 B10R0.71 CCCCCCCC#CCO D89822 [0,1,0,0,0,0|0,0,3]=4 49 B10R0.71 CCCCCNCCCCC D89598 [0,1,0,0,0,0|1,0,1]=3 50 B10R0.71 CCCCCSCCCCC D88303 [0,1,0,0,0,0|1,0,1]=3 51 B10R0.71 CCCCOCCOCCN AT13075 [0,1,0,0,0,0|2,0,1]=4 52 B10R0.71 CCCC\C=C\CCCCO D90170 [0,1,0,0,0,0|0,0,3]=4 53 B10R0.74 C=CC(=O)OCCCCCC H12008 [0,1,0,0,0,0|2,0,1]=4 54 B10R0.74 C=C[C@@H](O)CCCCCCC D90165 [0,1,0,0,0,0|1,0,0]=2 55 B10R0.74 CCCCCCCC(=O)CC D89798 [0,1,0,0,0,0|1,0,2]=4 56 B10R0.74 CCCCCCC[C@@H](O)CC D89804 [0,1,0,0,0,0|1,0,1]=3 57 B10R1.4 CCCC1CCCCC1O D92012 [0,0,0,1,0,0|0,0,2]=3 58 B10R1.17 C=CCOC1CCNCC1 V10011 [0,0,0,1,0,0|3,0,0]=4 59 B10R1.17 ClCCCN1CCCCC1 C14831 [0,0,0,1,0,0|2,0,1]=4 60 B10R1.17 NCCCN1CCCCC1 C78085 [0,0,0,1,0,0|2,0,1]=4 61 B10R1.21 CCCCCC1CCCC1 T72384 [0,0,0,1,0,0|1,0,1]=3 62 B10R1.21 N#CCCC[NH+]1CCCC1 D89374 [0,0,0,1,0,0|2,0,1]=4 63 B10R1.21 N#CCCNC1CCCC1 CS1044 [0,0,0,1,0,0|2,0,1]=4 64 B10R1.21 NCCCCN1CCCC1 F11332 [0,0,0,1,0,0|2,0,1]=4 65 B10R1.85 ClCCN1CCCCCC1 H11734 [0,0,0,1,0,0|2,0,1]=4 66 B10R1.85 NCCC1CCCCCC1 F10354 [0,0,0,1,0,0|1,0,1]=3 67 B10R1.85 NCCN1CCCCCC1 C11319 [0,0,0,1,0,0|2,0,1]=4 68 B10R1.185 C1CCCCCCCCC1 D89414 [0,0,0,1,0,0|1,0,1]=3 69 B7R0.1 C#CCCCCCC F10502 [2,0,0,0,0,0|0,0,2]=4 70 B7R0.1 C=CCCCCCC D91846 [2,0,0,0,0,0|0,0,1]=3 71 B7R0.1 CC#CCCCCC D91805 [2,0,0,0,0,0|0,0,2]=4 72 B7R0.1 CCC#CCCCC D91806 [2,0,0,0,0,0|0,0,2]=4 73 B7R0.1 CCCC#CCCC D91807 [2,0,0,0,0,0|0,0,2]=4 74 B7R0.1 CCCCCCC#N D90969 [2,0,0,0,0,0|1,0,1]=4 75 B7R0.1 CCCCCCCC A10542 [2,0,0,0,0,0|0,0,0]=2 76 B7R0.1 CCCCCCCN F17097 [2,0,0,0,0,0|1,0,0]=3 77 B7R0.1 CCCCCCOC D90977 [2,0,0,0,0,0|1,0,0]=3 78 B7R0.1 CCCCCON=O D88264 [2,0,0,0,0,0|2,0,0]=4 79 B7R0.1 CCCCNCCN A10255 [2,0,0,0,0,0|2,0,0]=4 80 B7R0.1 CCCCSCCO T71016 [2,0,0,0,0,0|1,0,1]=4 81 B7R0.1 CCCNCCOC D91418 [2,0,0,0,0,0|2,0,0]=4 82 B7R0.1 CCCOCCCN D92070 [2,0,0,0,0,0|2,0,0]=4 83 B7R0.1 CCC\C=C/CCC D91812 [2,0,0,0,0,0|0,0,2]=4 84 B7R0.1 CCC\C=C\CCC D91813 [2,0,0,0,0,0|0,0,2]=4 85 B7R0.1 CCNCCCCO D90525 [2,0,0,0,0,0|1,0,1]=4 86 B7R0.1 CCNCCNCC F15441 [2,0,0,0,0,0|2,0,0]=4 87 B7R0.1 CC\C=C/CCCC T71802 [2,0,0,0,0,0|0,0,2]=4 88 B7R0.1 CC\C=C\CCC=O D90892 [2,0,0,0,0,0|0,0,2]=4 89 B7R0.1 CC\C=C\CCCC D91811 [2,0,0,0,0,0|0,0,2]=4 90 B7R0.1 CNCCCCOC AT13062 [2,0,0,0,0,0|2,0,0]=4 91 B7R0.1 C\C=C\CCCCC D91810 [2,0,0,0,0,0|0,0,2]=4 92 B9R0.2 CCCCCCCC(C)C D91304 [1,1,0,0,0,0|0,0,1]=3 93 B9R0.2 CCCCCCC[13C](=O)O 41418 [1,1,0,0,0,0|0,0,0]=2 94 B9R0.2 CCCCCCC[13C](=O)[O-] 41397 [1,1,0,0,0,0|0,0,0]=2 95 B9R0.2 CCCCCCC[C@H](C)O D97855 [1,1,0,0,0,0|0,0,1]=3 96 B9R0.2 CCCCC\C=C\C(=O)O D91783 [1,1,0,0,0,0|0,0,2]=4 97 B9R0.2 CCCCC\C=C\C(C)=O D91739 [1,1,0,0,0,0|0,0,2]=4 98 B9R0.2 CCCC\C=C\CC(=O)O D84200 [1,1,0,0,0,0|0,0,2]=4 99 B9R0.2 CN(C)CCCCCCO D89905 [1,1,0,0,0,0|1,0,1]=4 100 B9R0.5 CCCCCC(=O)CCC D91706 [1,1,0,0,0,0|0,0,2]=4 101 B9R0.5 CCCCC[C@@H](O)CCC D91683 [1,1,0,0,0,0|0,0,1]=3 102 B9R0.18 CCCCS(=O)CCCC D89802 [1,1,0,0,0,0|1,0,1]=4 103 B9R0.46 C=C[C@@H](O)CCCCCC D91710 [1,1,0,0,0,0|0,0,1]=3 104 B9R0.46 CCCCCCC(=O)CC D91660 [1,1,0,0,0,0|0,0,2]=4 105 B9R0.46 CCCCCC[C@@H](O)CC D91682 [1,1,0,0,0,0|0,0,1]=3 106 B9R0.46 CC[C@H](C)CCCCCO C74966 [1,1,0,0,0,0|0,0,1]=3 107 B11R0.4 CCCCCCCC(=O)CCC D92758 [0,2,0,0,0,0|1,0,1]=4 108 B11R0.4 CCCCCCC[C@@H](O)CCC T72465 [0,2,0,0,0,0|1,0,1]=4 109 B11R0.81 CCCCCCC(=O)CCCC D92759 [0,2,0,0,0,0|1,0,1]=4 110 B11R0.81 CCCCCC[C@@H](O)CCCC D92757 [0,2,0,0,0,0|1,0,1]=4 111 B11R0.40 CCCCCCCCC(=O)CC D92753 [0,2,0,0,0,0|0,0,0]=2 112 B11R0.40 OCCCCCCC[C@H](O)CO T72400 [0,2,0,0,0,0|0,0,2]=4 113 B11R0.148 CCCCCCC\C=C\C(=O)O D89593 [0,2,0,0,0,0|0,0,1]=3 114 B11R0.148 CCCCCC\C=C\CC(=O)O D89807 [0,2,0,0,0,0|0,0,1]=3 115 B11R0.148 CN(C)CCCCCCCCO T70728 [0,2,0,0,0,0|0,0,2]=4 116 B11R0.148 C[C@H](O)CCCCCCCCO E72304 [0,2,0,0,0,0|0,0,2]=4 117 B11R0.159 C=CCCCCCC[Si](C)(C)Cl H10604 [0,2,0,0,0,0|1,1,0]=4 118 B11R0.3 C=CCCCCCCCCC=C D89622 [0,2,0,0,0,0|1,0,0]=3 119 B11R0.3 C=CCCCCCCCCC=O D92749 [0,2,0,0,0,0|0,0,0]=2 120 B11R0.3 C=CCOCCCCCCCC D88370 [0,2,0,0,0,0|1,0,0]=3 121 B11R0.3 CCCCCC#CCCCCC D89809 [0,2,0,0,0,0|1,0,1]=4 122 B11R0.3 CCCCCCCCCCC#N D92761 [0,2,0,0,0,0|1,0,1]=4 123 B11R0.3 CCCCCCCCCCCS D92772 [0,2,0,0,0,0|0,1,1]=4 124 B11R0.3 CCCCCCCCCCSC D89932 [0,2,0,0,0,0|0,1,1]=4 125 B11R0.3 CCCCCCCC\C=C\CO F14361 [0,2,0,0,0,0|0,0,1]=3 126 B11R0.3 CCCCCSSCCCCC D89599 [0,2,0,0,0,0|1,0,1]=4 127 B11R0.3 CCCC\C=C\CCCCCC T71264 [0,2,0,0,0,0|1,0,1]=4 128 B11R0.124 CCCCCCCC(OC)OC D91826 [0,2,0,0,0,0|2,0,0]=4 129 B9R1.8 C=CCC1CCCCC1 D88393 [1,0,0,1,0,0|0,0,1]=3 130 B9R1.8 CCCC1CCCCC1 D91999 [1,0,0,1,0,0|0,0,1]=3 131 B9R1.8 CCC[C@H]1CCCCN1 F16896 [1,0,0,1,0,0|1,0,0]=3 132 B9R1.8 ClCCN1CCCCC1 D87923 [1,0,0,1,0,0|2,0,0]=4 133 B9R1.12 O=CCCC1CCCC1 F16152 [1,0,0,1,0,0|0,0,0]=2 134 B9R1.33 CN1CCC[C@@H]1CCCl D87704 [1,0,0,1,0,0|2,0,0]=4 135 B9R1.89 NCC1CCCCCC1 C10073 [1,0,0,1,0,0|1,0,0]=3 136 B9R1.89 O=CN1CCCNCC1 77863 [1,0,0,1,0,0|2,0,0]=4 137 B11R1.16 CCC[C@H](O)C1CCCCC1 D89431 [0,1,0,1,0,0|1,0,1]=4 138 B11R1.180 CCCCCC1=CCCC1=O D84134 [0,1,0,1,0,0|0,0,1]=3 139 B11R1.86 CC(=O)OC1CCCCC1C D88418 [0,1,0,1,0,0|1,0,0]=3 140 B11R1.91 NC(=O)CCC1CCNCC1 C80035 [0,1,0,1,0,0|1,0,0]=3 141 B11R1.91 NC(=O)COC1CCCCC1 AC7484 [0,1,0,1,0,0|1,0,0]=3 142 B11R1.91 O=C(O)CCN1CCNCC1 A12371 [0,1,0,1,0,0|2,0,0]=4 143 B11R1.91 O=C(O)CC[C@H]1CCCCN1 33375 [0,1,0,1,0,0|1,0,0]=3 144 B11R1.91 O=C(O)CC[C@H]1CCCNC1 28918 [0,1,0,1,0,0|1,0,0]=3 145 B11R1.99 C=CCCCCCC[C@H]1CO1 D90507 [0,1,0,1,0,0|1,0,0]=3 146 B11R1.99 CCCCCCCC[C@H]1CO1 D90479 [0,1,0,1,0,0|0,0,2]=4 147 B11R1.143 CN1CCCCC[C@H]1C(=O)O 63138 [0,1,0,1,0,0|1,0,0]=3 148 B11R1.17 C[C@H]1CCCCN1CCC#N D89392 [0,1,0,1,0,0|1,0,1]=4 149 B11R1.17 N#CCC[C@H]1CCCCC1=O 76864 [0,1,0,1,0,0|0,0,1]=3 150 B11R1.28 CCCCCC1CCCCC1 F16714 [0,1,0,1,0,0|1,0,1]=4 151 B11R1.1 CCCCC1CCC(N)CC1 D89044 [0,1,0,1,0,0|1,0,1]=4 152 B11R1.222 CCC(C)C1CCCCC1=O D89010 [0,1,0,1,0,0|0,0,0]=2 153 B11R1.558 O=C1C(Cl)CCCCCC1Cl T70064 [0,1,0,1,0,0|1,0,0]=3 154 B11R2.20 C1CCC2CNCCC2C1 D90361 [0,0,0,2,0,0|1,0,1]=4 155 B11R2.20 C1CC[C@@H]2CCCN[C@H]2C1 D90133 [0,0,0,2,0,0|1,0,1]=4 156 B11R2.1261 C1CCC2(CC1)CCNC2 P10367 [0,0,0,2,0,0|2,0,0]=4