0 B8R0.4 C#CCCCCCCC D91672 [0,0,0,0,0,0|1,0,3]=4 1 B8R0.4 C=CCCCCCCC D91747 [0,0,0,0,0,0|1,0,3]=4 2 B8R0.4 C=CCCCCCCO F14752 [0,0,0,0,0,0|0,0,4]=4 3 B8R0.4 CCCCC#CCCO D91816 [0,0,0,0,0,0|0,0,4]=4 4 B8R0.4 CCCCCC#CCBr D94830 [0,0,0,0,0,0|2,0,2]=4 5 B8R0.4 CCCCCC#CCCl D89416 [0,0,0,0,0,0|2,0,2]=4 6 B8R0.4 CCCCCC#CCO D91880 [0,0,0,0,0,0|0,0,4]=4 7 B8R0.4 CCCCCCCSC D90918 [0,0,0,0,0,0|2,0,2]=4 8 B8R0.4 CCCCCC\C=C\I AT25372 [0,0,0,0,0,0|2,0,2]=4 9 B8R0.4 CCCCOCCCN 29096 [0,0,0,0,0,0|2,0,2]=4 10 B8R0.4 CCCC[SnH4+2]CCCC D90069 [0,0,0,0,0,0|2,0,2]=4 11 B8R0.4 CCCC\C=C\CCO D91844 [0,0,0,0,0,0|0,0,4]=4 12 B8R0.4 CCC\C=C/CCCC D91694 [0,0,0,0,0,0|1,0,2]=3 13 B8R0.4 CCC\C=C\CCCC D91695 [0,0,0,0,0,0|1,0,2]=3 14 B8R0.4 CC\C=C/CCCCO D91845 [0,0,0,0,0,0|0,0,0]=0 15 B8R0.4 C\C=C\CCCCCC D91716 [0,0,0,0,0,0|1,0,2]=3 16 B8R0.4 ClCCCCCCCBr D89022 [0,0,0,0,0,0|2,0,2]=4 17 B7R0.1 C#CCCCCCC F10502 [1,0,0,0,0,0|1,0,2]=4 18 B7R0.1 C=CCCCCCC D91846 [1,0,0,0,0,0|1,0,2]=4 19 B7R0.1 CC#CCCCCC D91805 [1,0,0,0,0,0|0,0,3]=4 20 B7R0.1 CCC#CCCCC D91806 [1,0,0,0,0,0|0,0,2]=3 21 B7R0.1 CCCC#CCCC D91807 [1,0,0,0,0,0|0,0,3]=4 22 B7R0.1 CCCC#CCCO D90878 [1,0,0,0,0,0|0,0,3]=4 23 B7R0.1 CCCCC#CCO D90877 [1,0,0,0,0,0|0,0,3]=4 24 B7R0.1 CCCCCCC#N D90969 [1,0,0,0,0,0|1,0,2]=4 25 B7R0.1 CCCCCCCC A10542 [1,0,0,0,0,0|0,0,2]=3 26 B7R0.1 CCCCCCCN F17097 [1,0,0,0,0,0|1,0,1]=3 27 B7R0.1 CCCCCCOC D90977 [1,0,0,0,0,0|1,0,2]=4 28 B7R0.1 CCCCNCCN A10255 [1,0,0,0,0,0|2,0,1]=4 29 B7R0.1 CCCCSCCO T71016 [1,0,0,0,0,0|1,0,1]=3 30 B7R0.1 CCCC\C=C\CO D90932 [1,0,0,0,0,0|1,0,0]=2 31 B7R0.1 CCCNCCOC D91418 [1,0,0,0,0,0|2,0,1]=4 32 B7R0.1 CCCOCCCN D92070 [1,0,0,0,0,0|2,0,1]=4 33 B7R0.1 CCC\C=C/CCC D91812 [1,0,0,0,0,0|0,0,2]=3 34 B7R0.1 CCC\C=C\CCC D91813 [1,0,0,0,0,0|0,0,2]=3 35 B7R0.1 CCNCCCCO D90525 [1,0,0,0,0,0|1,0,0]=2 36 B7R0.1 CCNCCNCC F15441 [1,0,0,0,0,0|2,0,1]=4 37 B7R0.1 CC\C=C/CCCC T71802 [1,0,0,0,0,0|0,0,0]=1 38 B7R0.1 CC\C=C/CCCO D90956 [1,0,0,0,0,0|0,0,0]=1 39 B7R0.1 CC\C=C\CCC=O D90892 [1,0,0,0,0,0|0,0,2]=3 40 B7R0.1 CC\C=C\CCCC D91811 [1,0,0,0,0,0|0,0,0]=1 41 B7R0.1 C\C=C\CCCCC D91810 [1,0,0,0,0,0|1,0,0]=2 42 B9R0.2 CCCCCCCC(C)C D91304 [0,1,0,0,0,0|1,0,2]=4 43 B9R0.2 CCCCCCC[13C](=O)O 41418 [0,1,0,0,0,0|0,0,3]=4 44 B9R0.2 CCCCCCC[C@H](C)O D97855 [0,1,0,0,0,0|0,0,2]=3 45 B9R0.2 CCCCC\C=C\C(=O)O D91783 [0,1,0,0,0,0|2,0,1]=4 46 B9R0.2 CCCCC\C=C\C(C)=O D91739 [0,1,0,0,0,0|1,0,1]=3 47 B9R0.2 CN(C)CCCCCCO D89905 [0,1,0,0,0,0|1,0,2]=4 48 B9R0.5 CCCCCC(=O)CCC D91706 [0,1,0,0,0,0|1,0,1]=3 49 B9R0.5 CCCCC[C@@H](O)CCC D91683 [0,1,0,0,0,0|1,0,2]=4 50 B9R0.45 CCCC#CCCCCC D89808 [0,1,0,0,0,0|1,0,2]=4 51 B9R0.45 CCCCCC#CCCO D91697 [0,1,0,0,0,0|0,0,3]=4 52 B9R0.45 CCCCCCC#CCO D91780 [0,1,0,0,0,0|0,0,3]=4 53 B9R0.45 CCCCCCCCCC S11595 [0,1,0,0,0,0|1,0,2]=4 54 B9R0.45 CCCCCCCCCCl D89217 [0,1,0,0,0,0|1,0,2]=4 55 B9R0.45 CCCCCCCCCN D91670 [0,1,0,0,0,0|1,0,2]=4 56 B9R0.45 CCCCCCCCSC D91326 [0,1,0,0,0,0|0,1,2]=4 57 B9R0.45 CCCCCC\C=C\CO D91737 [0,1,0,0,0,0|2,0,0]=3 58 B9R0.45 CCCCC\C=C/CCO D91738 [0,1,0,0,0,0|1,0,0]=2 59 B9R0.45 CCCC\C=C/CCCC T71292 [0,1,0,0,0,0|1,0,2]=4 60 B9R0.45 CC\C=C\C\C=C\CCO D91741 [0,1,0,0,0,0|0,0,1]=2 61 B9R0.45 OCCNCCOCCO AT13064 [0,1,0,0,0,0|2,0,1]=4 62 B9R0.46 CCCCCCC(=O)CC D91660 [0,1,0,0,0,0|1,0,1]=3 63 B9R0.46 CCCCCC[C@@H](O)CC D91682 [0,1,0,0,0,0|1,0,2]=4 64 B9R0.46 CC[C@H](C)CCCCCO C74966 [0,1,0,0,0,0|0,0,2]=3 65 B9R1.8 CCCC1CCCCC1 D91999 [0,0,0,1,0,0|1,0,2]=4 66 B9R1.8 CCC[C@H]1CCCCN1 F16896 [0,0,0,1,0,0|1,0,2]=4 67 B9R1.8 OCC[C@H]1CNCCN1 F13481 [0,0,0,1,0,0|2,0,1]=4 68 B9R1.12 CCCCC1=CCC=C1 F14008 [0,0,0,1,0,0|1,0,2]=4 69 B9R1.15 COC1=CCCCC1=O F13444 [0,0,0,1,0,0|1,0,2]=4 70 B9R1.89 NCC1CCCCCC1 C10073 [0,0,0,1,0,0|1,0,2]=4 71 B6R0.6 C#CCCCCC 75208 [2,0,0,0,0,0|1,0,1]=4 72 B6R0.6 C=CCCCC#N D90957 [2,0,0,0,0,0|1,0,1]=4 73 B6R0.6 C=CCCCCC D90784 [2,0,0,0,0,0|1,0,0]=3 74 B6R0.6 C=CCC\C=C\C T71838 [2,0,0,0,0,0|0,0,2]=4 75 B6R0.6 C=CCSCCC F13976 [2,0,0,0,0,0|2,0,0]=4 76 B6R0.6 CC#CCCCC D90868 [2,0,0,0,0,0|0,0,2]=4 77 B6R0.6 CCCCCC#N D90798 [2,0,0,0,0,0|1,0,1]=4 78 B6R0.6 CCCCCCN D91063 [2,0,0,0,0,0|1,0,0]=3 79 B6R0.6 CCCCCC[Mg+] D78455 [2,0,0,0,0,0|1,0,0]=3 80 B6R0.6 CCCCCNN AC4196 [2,0,0,0,0,0|2,0,0]=4 81 B6R0.6 CCCCCSC D88262 [2,0,0,0,0,0|1,0,1]=4 82 B6R0.6 CCCCOCC D88684 [2,0,0,0,0,0|1,0,0]=3 83 B6R0.6 CCCC\C=C\I AT25371 [2,0,0,0,0,0|1,0,0]=3 84 B6R0.6 CCCOCCC D91968 [2,0,0,0,0,0|1,0,1]=4 85 B6R0.6 CCCOCCN D88415 [2,0,0,0,0,0|2,0,0]=4 86 B6R0.6 CCCSCCC D91969 [2,0,0,0,0,0|1,0,1]=4 87 B6R0.6 CCCSCCO D92003 [2,0,0,0,0,0|1,0,0]=3 88 B6R0.6 CCC\C=C/CO D90941 [2,0,0,0,0,0|1,0,0]=3 89 B6R0.6 CC\C=C\CCC D90967 [2,0,0,0,0,0|0,0,0]=2 90 B6R0.6 C\C=C/CCCC D90859 [2,0,0,0,0,0|0,0,0]=2 91 B6R0.6 C\C=C/CCCO D90944 [2,0,0,0,0,0|0,0,0]=2 92 B6R0.6 C\C=C\CCCC D90785 [2,0,0,0,0,0|0,0,0]=2 93 B6R0.6 C\C=C\CCCO D71247 [2,0,0,0,0,0|0,0,0]=2 94 B6R0.6 ClCCCCCCl D89643 [2,0,0,0,0,0|2,0,0]=4 95 B6R0.6 N#CCCCCO D77640 [2,0,0,0,0,0|1,0,1]=4 96 B6R0.6 NCCCCCN 24563 [2,0,0,0,0,0|2,0,0]=4 97 B8R0.1 CCCCC(=O)CCC T72667 [1,1,0,0,0,0|0,0,1]=3 98 B8R0.1 CCCC[C@@H](O)CCC D91820 [1,1,0,0,0,0|0,0,2]=4 99 B8R0.1 CCOC(=O)CCCCl D89301 [1,1,0,0,0,0|2,0,0]=4 100 B8R0.1 CCOC(=O)NCCO AT13708 [1,1,0,0,0,0|2,0,0]=4 101 B8R0.1 CC\C=C\C(=O)OCC D80177 [1,1,0,0,0,0|1,0,1]=4 102 B8R0.1 C\C=C\C(=O)CCCC T72492 [1,1,0,0,0,0|0,0,1]=3 103 B8R0.6 CCCCC[C@@H](C)CC T72102 [1,1,0,0,0,0|0,0,2]=4 104 B8R0.6 CCCCC[C@H](O)CO D90979 [1,1,0,0,0,0|0,0,1]=3 105 B8R0.6 CCCCOC(=O)CCl D89195 [1,1,0,0,0,0|2,0,0]=4 106 B8R0.6 CCCCOC(=O)CF D90645 [1,1,0,0,0,0|2,0,0]=4 107 B8R0.7 CC(=O)NCCCCN H12005 [1,1,0,0,0,0|2,0,0]=4 108 B8R0.7 CCCCCCC(C)C D91311 [1,1,0,0,0,0|0,0,2]=4 109 B8R0.7 CCCCCC[C@H](C)N A12762 [1,1,0,0,0,0|0,0,2]=4 110 B8R0.7 CCCC\C=C\C(C)=O D91847 [1,1,0,0,0,0|0,0,1]=3 111 B10R0.4 CCCCCCCC[C@H](C)O D89844 [0,2,0,0,0,0|0,0,2]=4 112 B10R0.4 CCCCCC\C=C\C(C)=O 74304 [0,2,0,0,0,0|1,0,1]=4 113 B10R0.4 CCCCC\C=C\CC(=O)O T72443 [0,2,0,0,0,0|1,0,1]=4 114 B10R0.74 C=C[C@@H](O)CCCCCCC D90165 [0,2,0,0,0,0|0,0,2]=4 115 B10R0.74 CCCCCCCC(=O)CC D89798 [0,2,0,0,0,0|1,0,1]=4 116 B10R0.74 CCCCCCC[C@@H](O)CC D89804 [0,2,0,0,0,0|0,0,2]=4 117 B10R0.74 CCCCC\C=C\C(=O)OC D91565 [0,2,0,0,0,0|1,0,1]=4 118 B10R0.1 C=CCCCCC(=O)OCC D86379 [0,2,0,0,0,0|2,0,0]=4 119 B10R0.1 CCCCCCC(=O)CCC D89875 [0,2,0,0,0,0|1,0,1]=4 120 B10R0.71 CCCCCCC#CCCO D89825 [0,2,0,0,0,0|0,0,2]=4 121 B10R0.71 CCCCCCCC#CCO D89822 [0,2,0,0,0,0|0,0,2]=4 122 B10R0.71 CCCCC\C=C\C=C\CO D89948 [0,2,0,0,0,0|1,0,1]=4 123 B10R0.71 CCCC\C=C\CCCCO D90170 [0,2,0,0,0,0|0,0,0]=2 124 B10R0.71 CNCCOCCOCCO C70213 [0,2,0,0,0,0|1,0,1]=4 125 B10R0.41 CCN(CC)CCCCCO D90342 [0,2,0,0,0,0|1,0,1]=4 126 B8R1.2 BrC[C@H]1CCCCO1 N11991 [1,0,0,1,0,0|1,0,1]=4 127 B8R1.2 C=C[C@@H]1CC=CCC1 D92779 [1,0,0,1,0,0|0,0,2]=4 128 B8R1.2 CC[C@H]1CCCNC1 N10050 [1,0,0,1,0,0|1,0,1]=4 129 B8R1.2 CC[C@H]1CNCCO1 S12054 [1,0,0,1,0,0|1,0,1]=4 130 B8R1.2 COC1=CCCCC1 D87534 [1,0,0,1,0,0|1,0,0]=3 131 B8R1.2 COC1=CCOCC1 82148 [1,0,0,1,0,0|2,0,0]=4 132 B8R1.2 N#C[C@@H]1CC=CCC1 F16653 [1,0,0,1,0,0|1,0,1]=4 133 B8R1.2 O=C[C@@H]1CC=CCC1 28448 [1,0,0,1,0,0|0,0,2]=4 134 B8R1.2 OCC1CCNCC1 P19521 [1,0,0,1,0,0|1,0,0]=3 135 B8R1.2 [Mg+]CC1CCCCC1 F16672 [1,0,0,1,0,0|1,0,1]=4 136 B8R1.5 C[C@@H]1CCCC[C@@H]1O D91322 [1,0,0,1,0,0|0,0,1]=3 137 B8R1.5 C[C@H]1CCCC[C@@H]1C D89703 [1,0,0,1,0,0|0,0,2]=4 138 B8R1.5 C[C@H]1CCCC[C@@H]1O T72898 [1,0,0,1,0,0|0,0,1]=3 139 B8R1.5 O[C@H]1CCCC[C@H]1O D73189 [1,0,0,1,0,0|1,0,1]=4 140 B8R1.22 C[C@H]1CCCNCC1 W10113 [1,0,0,1,0,0|1,0,1]=4 141 B8R1.36 CCCNCC1CC1 Y11019 [1,0,0,1,0,0|1,0,1]=4 142 B8R1.49 C1CCCCCCC1 D89258 [1,0,0,1,0,0|0,0,2]=4 143 B8R1.49 C1CCCNCCC1 H10592 [1,0,0,1,0,0|1,0,1]=4 144 B10R1.11 CCOC(=O)[C@@H]1CCCN1 W15477 [0,1,0,1,0,0|2,0,0]=4 145 B10R1.4 CCCC1CCCCC1O D92012 [0,1,0,1,0,0|0,0,2]=4 146 B10R1.149 COC(=O)C1CCCC1O S10371 [0,1,0,1,0,0|1,0,1]=4 147 B10R2.18 C1CCCC2OC2CC1 D90535 [0,0,0,2,0,0|0,0,2]=4