0 B11R0.3 BrCCCCCCCCCCBr HR122947 [0,0,0,0,0,0|2,0,2]=4 1 B11R0.3 C#CCCCCCCCCCO HR109308 [0,0,0,0,0,0|0,0,4]=4 2 B11R0.3 C=CCCCCCCCCC=O HR122631 [0,0,0,0,0,0|0,0,0]=0 3 B11R0.3 C=CCCCCCCCCCBr HR106670 [0,0,0,0,0,0|1,0,1]=2 4 B11R0.3 C=CCCCCCCCCCC HR132651 [0,0,0,0,0,0|1,0,1]=2 5 B11R0.3 C=CCCCCCCCCCCl HR141276 [0,0,0,0,0,0|1,0,1]=2 6 B11R0.3 CCCCCCCCCCC=O HR139744 [0,0,0,0,0,0|0,0,2]=2 7 B11R0.3 CCCCCCCCCCCBr HR134996 [0,0,0,0,0,0|1,0,3]=4 8 B11R0.3 CCCCCCCCCCCC HR136868 [0,0,0,0,0,0|1,0,3]=4 9 B11R0.3 CCCCCCCCCCCCl HR113982 [0,0,0,0,0,0|1,0,3]=4 10 B11R0.3 CCCCCCCCCCCO HR142946 [0,0,0,0,0,0|0,0,4]=4 11 B11R0.3 CCCCCCCCCCCS HR121162 [0,0,0,0,0,0|0,1,3]=4 12 B11R0.3 CCCCCCCC\C=C\C=O HR113538 [0,0,0,0,0,0|0,0,4]=4 13 B11R0.3 CCCCCCCC\C=C\C=O HR127942 [0,0,0,0,0,0|0,0,4]=4 14 B11R0.3 CCCCCCCC\C=C\C=O HR145487 [0,0,0,0,0,0|0,0,4]=4 15 B11R0.3 CNCCCCCCCCNC HR117576 [0,0,0,0,0,0|3,0,1]=4 16 B11R0.3 ClCCCCCCCCCCCl HR128785 [0,0,0,0,0,0|2,0,2]=4 17 B11R0.3 ICCCCCCCCCCI HR145002 [0,0,0,0,0,0|2,0,2]=4 18 B11R0.3 N#CCCCCCCCCC#N HR137184 [0,0,0,0,0,0|2,0,2]=4 19 B11R0.3 NCCCCCCCCCCN HR123960 [0,0,0,0,0,0|2,0,2]=4 20 B11R0.3 OCCCCCCCCCCBr HR116370 [0,0,0,0,0,0|1,0,3]=4 21 B11R0.3 OCCCCCCCCCCO HR122374 [0,0,0,0,0,0|1,0,3]=4 22 B11R0.3 SCCCCCCCCCCS HR127207 [0,0,0,0,0,0|1,1,2]=4 23 B11R0.3 [CH2]CCCCCCCCCCC HR143124 [0,0,0,0,0,0|1,0,3]=4 24 B10R0.71 BrCCCCCCCCCBr HR144509 [1,0,0,0,0,0|2,0,1]=4 25 B10R0.71 C=CCCCCCCCCBr HR109564 [1,0,0,0,0,0|1,0,0]=2 26 B10R0.71 C=CCCCCCCCCC HR105109 [1,0,0,0,0,0|0,0,1]=2 27 B10R0.71 CCCCCCCCCC=O HR134642 [1,0,0,0,0,0|0,0,1]=2 28 B10R0.71 CCCCCCCCCCBr HR134321 [1,0,0,0,0,0|1,0,2]=4 29 B10R0.71 CCCCCCCCCCC HR127377 [1,0,0,0,0,0|0,0,3]=4 30 B10R0.71 CCCCCCCCCCN HR143248 [1,0,0,0,0,0|1,0,2]=4 31 B10R0.71 CCCCCCCCCCO HR128836 [1,0,0,0,0,0|0,0,3]=4 32 B10R0.71 CCCCCCCCCCS HR129083 [1,0,0,0,0,0|0,1,2]=4 33 B10R0.71 CCCCCCCCN=C=O HR123072 [1,0,0,0,0,0|1,0,2]=4 34 B10R0.71 CCCCCCC\C=C\C=O HR128736 [1,0,0,0,0,0|0,0,3]=4 35 B10R0.71 CCCCCCC\C=C\C=O HR131473 [1,0,0,0,0,0|0,0,3]=4 36 B10R0.71 ClCCCCCCCCCCl HR101114 [1,0,0,0,0,0|2,0,1]=4 37 B10R0.71 NCCCCCCCCCN HR142077 [1,0,0,0,0,0|2,0,1]=4 38 B10R0.71 OCCCCCCCCCBr HR126648 [1,0,0,0,0,0|1,0,2]=4 39 B10R0.71 OCCCCCCCCCCl HR119905 [1,0,0,0,0,0|1,0,2]=4 40 B10R0.71 OCCCCCCCCCO HR125861 [1,0,0,0,0,0|1,0,2]=4 41 B10R0.71 SCCCCCCCCCS HR127476 [1,0,0,0,0,0|1,1,1]=4 42 B12R0.5 CCCCCCCCC\C=C\C=O HR128478 [0,1,0,0,0,0|0,0,3]=4 43 B12R0.234 C=CCCCCCCCCC(=O)Cl HR101878 [0,1,0,0,0,0|0,0,0]=1 44 B12R0.234 C=CCCCCCCCCC(=O)Cl HR144809 [0,1,0,0,0,0|0,0,0]=1 45 B12R0.234 C=CCCCCCCCCC(=O)O HR135063 [0,1,0,0,0,0|0,0,0]=1 46 B12R0.234 C=CCCCCCCCCC(=O)[O-] HR125768 [0,1,0,0,0,0|0,0,0]=1 47 B12R0.234 C=CCCCCCCCC[SiH](Cl)Cl HR112515 [0,1,0,0,0,0|1,1,0]=3 48 B12R0.234 CC(=O)OCCCCCCCCBr HR116347 [0,1,0,0,0,0|2,0,1]=4 49 B12R0.234 CCCCCCCCCCC(=O)Cl HR103738 [0,1,0,0,0,0|0,0,2]=3 50 B12R0.234 CCCCCCCCCCC(=O)O HR117809 [0,1,0,0,0,0|0,0,2]=3 51 B12R0.234 CCCCCCCCCOC(C)=O HR141094 [0,1,0,0,0,0|1,0,2]=4 52 B12R0.234 O=C(O)CCCCCCCCCBr HR123779 [0,1,0,0,0,0|1,0,1]=3 53 B12R0.234 O=C(O)CCCCCCCCCO HR124047 [0,1,0,0,0,0|1,0,1]=3 54 B12R0.248 CCCCCCCCCC(C)C=O HR143715 [0,1,0,0,0,0|0,0,2]=3 55 B12R1.372 CCCCCCC1CCCC1=O HR100603 [0,0,0,1,0,0|0,0,2]=3 56 B12R1.372 CCCCCCN1CCCC1=O HR104888 [0,0,0,1,0,0|1,0,2]=4 57 B9R0.45 C#CCCCCCCCC HR139749 [2,0,0,0,0,0|0,0,2]=4 58 B9R0.45 C=CCCCCCCCBr HR120623 [2,0,0,0,0,0|1,0,0]=3 59 B9R0.45 CCCCCCCCC=O HR129436 [2,0,0,0,0,0|0,0,0]=2 60 B9R0.45 CCCCCCCCCBr HR131831 [2,0,0,0,0,0|1,0,1]=4 61 B9R0.45 CCCCCCCCCI HR142563 [2,0,0,0,0,0|1,0,1]=4 62 B9R0.45 CCCCCCCCCN HR127652 [2,0,0,0,0,0|1,0,1]=4 63 B9R0.45 CCCCCCCCCO HR119697 [2,0,0,0,0,0|0,0,2]=4 64 B9R0.45 CCCCCCCCCO HR129625 [2,0,0,0,0,0|0,0,2]=4 65 B9R0.45 CCCCCCCCCS HR128817 [2,0,0,0,0,0|0,1,1]=4 66 B9R0.45 CCCCCCCCSC HR129003 [2,0,0,0,0,0|1,0,1]=4 67 B9R0.45 CCCCCCCC[Mg]Br HR105143 [2,0,0,0,0,0|2,0,0]=4 68 B9R0.45 CCCCCCCOC=O HR112750 [2,0,0,0,0,0|1,0,0]=3 69 B9R0.45 CCCCCC\C=C\C=O HR102101 [2,0,0,0,0,0|0,0,2]=4 70 B9R0.45 CCCCCC\C=C\C=O HR125439 [2,0,0,0,0,0|0,0,2]=4 71 B9R0.45 CCCCC\C=C\CC=O HR101775 [2,0,0,0,0,0|0,0,2]=4 72 B9R0.45 NCCCCCCCCN HR126346 [2,0,0,0,0,0|2,0,0]=4 73 B9R0.45 OCCCCCCCCBr HR126753 [2,0,0,0,0,0|1,0,1]=4 74 B9R0.45 OCCCCCCCCCl HR122098 [2,0,0,0,0,0|1,0,1]=4 75 B9R0.45 OCCCCCCCCO HR125309 [2,0,0,0,0,0|1,0,1]=4 76 B9R0.45 SCCCCCCCCS HR127749 [2,0,0,0,0,0|1,1,0]=4 77 B11R0.40 C=CC(O)CCCCCCCC HR121436 [1,1,0,0,0,0|0,0,1]=3 78 B11R0.148 C=CCCCCCCCC(=O)O HR100560 [1,1,0,0,0,0|0,0,0]=2 79 B11R0.148 CCCCCCCCCC(=O)Cl HR134539 [1,1,0,0,0,0|0,0,1]=3 80 B11R0.148 CCCCCCCCCC(=O)O HR134532 [1,1,0,0,0,0|0,0,1]=3 81 B11R0.148 CCCCCCCCCC(C)=O HR122893 [1,1,0,0,0,0|0,0,1]=3 82 B11R0.148 CCCCCCCCOC(=O)Cl HR136604 [1,1,0,0,0,0|1,0,1]=4 83 B11R0.148 CCCCCCCCOC(C)=O HR128593 [1,1,0,0,0,0|1,0,1]=4 84 B11R0.148 CCCCCCCCSC(=O)Cl HR106031 [1,1,0,0,0,0|1,0,1]=4 85 B13R0.54 CC(C)CCCCCCCCCC=O HR145372 [0,2,0,0,0,0|0,0,2]=4 86 B13R0.54 CCCCCCCCCCCC(=O)O HR127301 [0,2,0,0,0,0|0,0,2]=4 87 B13R0.54 CCCCCCCCCCCC(=O)O HR130279 [0,2,0,0,0,0|0,0,2]=4 88 B13R0.54 CCCCCCCCCCCC(=O)[O-] HR101213 [0,2,0,0,0,0|0,0,2]=4 89 B13R0.54 CCCCCCCCCCCC(=O)[O-] HR101732 [0,2,0,0,0,0|0,0,2]=4 90 B13R0.54 CCCCCCCCCCCC(=O)[O-] HR110772 [0,2,0,0,0,0|0,0,2]=4 91 B13R0.54 CCCCCCCCCCCC(=O)[O-] HR123306 [0,2,0,0,0,0|0,0,2]=4 92 B13R0.54 CCCCCCCCCCCC(=O)[O-] HR134494 [0,2,0,0,0,0|0,0,2]=4 93 B13R0.54 CCCCCCCCCCCC(=O)[O-] HR138770 [0,2,0,0,0,0|0,0,2]=4 94 B13R0.54 CCCCCCCCCCCC(=O)[O-] HR145601 [0,2,0,0,0,0|0,0,2]=4 95 B13R0.54 CCCCCCCCCCCC(C)=O HR137937 [0,2,0,0,0,0|0,0,2]=4 96 B13R0.54 CCCCCCCCCCCC(N)=O HR139461 [0,2,0,0,0,0|0,0,2]=4 97 B13R0.54 CCCCCCCCCCOC(C)=O HR144588 [0,2,0,0,0,0|0,0,2]=4 98 B13R0.54 NCCCCCCCCCCC(=O)O HR135586 [0,2,0,0,0,0|0,0,2]=4 99 B13R0.54 O=C(O)CCCCCCCCCCBr HR135855 [0,2,0,0,0,0|0,0,2]=4 100 B13R0.147 C=CC(O)CCCCCCCCCC LEXF01905 [0,2,0,0,0,0|1,0,1]=4 101 B13R0.147 C=CCCCCCCCCC(=O)OC HR126023 [0,2,0,0,0,0|0,0,0]=2 102 B13R0.147 CCCCCCCCCCC(=O)OC HR105374 [0,2,0,0,0,0|0,0,2]=4 103 B13R0.336 C=CCCCCCCCCCCCC HR133198 [0,2,0,0,0,0|1,0,1]=4 104 B13R0.336 CCCCCCCCCC\C=C\C=O HR128213 [0,2,0,0,0,0|0,0,2]=4 105 B13R0.179 O=C(O)CCCCCCCCC(=O)O HR115334 [0,2,0,0,0,0|1,0,0]=3 106 B13R0.179 O=C(O)CCCCCCCCC(=O)O HR127424 [0,2,0,0,0,0|1,0,0]=3 107 B13R0.179 O=C(O)CCCCCCCCC(=O)O HR136307 [0,2,0,0,0,0|1,0,0]=3 108 B13R0.179 O=C([O-])CCCCCCCCC(=O)O HR111169 [0,2,0,0,0,0|1,0,0]=3 109 B13R0.179 O=C([O-])CCCCCCCCC(=O)[O-] HR122663 [0,2,0,0,0,0|1,0,0]=3 110 B11R1.17 CCCCC1CCCCC1=O HR135708 [1,0,0,1,0,0|0,0,1]=3 111 B11R1.101 O=C1CCCCCCCCC1 HR103181 [1,0,0,1,0,0|0,0,1]=3 112 B13R1.279 O=C1CCCCCCCCCCC1 HR142951 [0,1,0,1,0,0|0,0,2]=4 113 B13R1.654 CCCCCCCC1CCCC1=O HR139354 [0,1,0,1,0,0|0,0,2]=4 114 B13R1.27 CCCCCCCC1CCC(=O)O1 HR128195 [0,1,0,1,0,0|0,0,2]=4 115 B13R1.27 CCCCCCCC1CCC(=O)O1 HR137523 [0,1,0,1,0,0|0,0,2]=4