0 B10R0.71 BrCCCCCCCCCBr SY018310 [0,0,0,0,0,0|2,0,1]=3 1 B10R0.71 C=CCCCCCCCCBr SY036926 [0,0,0,0,0,0|2,0,0]=2 2 B10R0.71 CCCCC\C=C\C=C\C=O SY017792 [0,0,0,0,0,0|0,0,4]=4 3 B10R0.71 ClCCCCCCCCCCl SY033661 [0,0,0,0,0,0|2,0,1]=3 4 B10R0.71 ClCCCCOCCCCCl SY050223 [0,0,0,0,0,0|3,0,1]=4 5 B10R0.71 OCCCCCCCCCBr SY015344 [0,0,0,0,0,0|1,0,2]=3 6 B10R0.71 OCCCCCCCCCO SY015121 [0,0,0,0,0,0|1,0,2]=3 7 B9R0.45 BrCCCCCCCCBr SY013819 [1,0,0,0,0,0|2,0,0]=3 8 B9R0.45 C#CCCCCCCCO SY105480 [1,0,0,0,0,0|0,0,3]=4 9 B9R0.45 C=CCCCCCCCBr SY105453 [1,0,0,0,0,0|1,0,1]=3 10 B9R0.45 CCCCCCCCC=O SY016777 [1,0,0,0,0,0|0,0,0]=1 11 B9R0.45 NCCCCCCCCO SY055500 [1,0,0,0,0,0|1,0,1]=3 12 B9R0.45 O=CCCCCCCCBr SY299590 [1,0,0,0,0,0|1,0,0]=2 13 B9R0.45 OCCCCCCCCBr SY019465 [1,0,0,0,0,0|1,0,1]=3 14 B9R0.45 OCCCCCCCCCl SY019464 [1,0,0,0,0,0|1,0,1]=3 15 B9R0.45 OCCCCCCCCO SY006277 [1,0,0,0,0,0|1,0,1]=3 16 B11R0.3 BrCCCCCCCCCCBr SY012704 [0,1,0,0,0,0|1,0,1]=3 17 B11R0.3 C=CCCCCCCCCCBr SY038269 [0,1,0,0,0,0|1,0,0]=2 18 B11R0.3 C=CCCCCCCCCCO SY011350 [0,1,0,0,0,0|1,0,0]=2 19 B11R0.3 CCCCCCCCCCC=O SY048699 [0,1,0,0,0,0|0,0,0]=1 20 B11R0.3 CCCCCCCCCCON SY281732 [0,1,0,0,0,0|0,0,2]=3 21 B11R0.3 CCCCCCCCCCON SY281733 [0,1,0,0,0,0|0,0,2]=3 22 B11R0.3 CCCCCCCCNCCN SY020672 [0,1,0,0,0,0|1,0,1]=3 23 B11R0.3 OCCCCCCCCCCBr SY010093 [0,1,0,0,0,0|0,0,2]=3 24 B11R0.4 C=CCCCCCC(=O)OCC SY293408 [0,1,0,0,0,0|2,0,1]=4 25 B11R0.148 C#CCCCCCCCC(=O)O SY285632 [0,1,0,0,0,0|0,0,2]=3 26 B11R0.148 CC(=O)CCCCCCCCBr SY284835 [0,1,0,0,0,0|1,0,0]=2 27 B11R0.148 CCCCCCCCCC(=O)O SY061635 [0,1,0,0,0,0|0,0,0]=1 28 B11R0.148 CCCCCCCCCC(=O)[O-] SY104388 [0,1,0,0,0,0|0,0,0]=1 29 B11R0.148 CCCCCCCCC[N+](=O)[O-] SY253221 [0,1,0,0,0,0|1,0,0]=2 30 B11R0.148 COCCOCCOCC(=O)O SY033787 [0,1,0,0,0,0|3,0,0]=4 31 B11R0.148 NCCOCCOCCC(=O)O SY122472 [0,1,0,0,0,0|3,0,0]=4 32 B11R0.148 O=C(O)CCCCCCCCBr SY026441 [0,1,0,0,0,0|1,0,0]=2 33 B11R0.148 O=C(O)CCCCCCCCO SY022017 [0,1,0,0,0,0|1,0,0]=2 34 B11R0.148 O=C(O)CCOCCOCCBr SY245063 [0,1,0,0,0,0|3,0,0]=4 35 B11R0.148 O=CCCCCCCCC(=O)O SY253223 [0,1,0,0,0,0|1,0,1]=3 36 B11R0.148 O=[N+]([O-])CCCCCCCCBr SY266578 [0,1,0,0,0,0|2,0,0]=3 37 B11R0.148 O=[N+]([O-])CCCCCCCCO SY266584 [0,1,0,0,0,0|2,0,0]=3 38 B11R1.4 BrCCCCCN1CCCC1 SY040493 [0,0,0,1,0,0|2,0,1]=4 39 B11R1.17 O=C1COCCN1CCCBr SY246056 [0,0,0,1,0,0|3,0,0]=4 40 B11R1.28 BrCCCCC1CCOCC1 SY043172 [0,0,0,1,0,0|2,0,1]=4 41 B11R1.28 BrCCCCN1CCCCC1 SY040490 [0,0,0,1,0,0|2,0,1]=4 42 B11R1.28 N#CCCCC1CCNCC1 SY272701 [0,0,0,1,0,0|2,0,1]=4 43 B11R1.28 OCCCCC1CCCCN1 SY022163 [0,0,0,1,0,0|1,0,2]=4 44 B11R1.28 OCCCCC1CCCNC1 SY022162 [0,0,0,1,0,0|1,0,2]=4 45 B11R1.28 OCCCCC1CCNCC1 SY011920 [0,0,0,1,0,0|1,0,2]=4 46 B11R1.28 OCCCCC1CCNCC1 SY012562 [0,0,0,1,0,0|1,0,2]=4 47 B11R1.28 OCCCCN1CCCCC1 SY264907 [0,0,0,1,0,0|1,0,2]=4 48 B11R1.203 CNCCN1CCCCCC1 SY262321 [0,0,0,1,0,0|3,0,0]=4 49 B11R1.203 NCCCN1CCCCCC1 SY079400 [0,0,0,1,0,0|2,0,1]=4 50 B8R0.4 BrCCCCCCCBr SY050897 [2,0,0,0,0,0|2,0,0]=4 51 B8R0.4 C=CCCCCCCBr SY032409 [2,0,0,0,0,0|1,0,1]=4 52 B8R0.4 CCCCCCCON SY281820 [2,0,0,0,0,0|2,0,0]=4 53 B8R0.4 CCCCCCCON SY281821 [2,0,0,0,0,0|2,0,0]=4 54 B8R0.4 COCCCCCCBr SY040480 [2,0,0,0,0,0|2,0,0]=4 55 B8R0.4 ClCCCCCCCCl SY055886 [2,0,0,0,0,0|2,0,0]=4 56 B8R0.4 OCCCCCCCBr SY019463 [2,0,0,0,0,0|1,0,1]=4 57 B8R0.4 OCCCCCCCO SY010789 [2,0,0,0,0,0|1,0,1]=4 58 B10R0.4 CCCCCCCCB(O)O SY031616 [1,1,0,0,0,0|1,0,1]=4 59 B10R0.4 CCCCCCCC[N+](=O)[O-] SY266562 [1,1,0,0,0,0|1,0,0]=3 60 B10R0.4 COCCCCCC[N+](=O)[O-] SY266592 [1,1,0,0,0,0|2,0,0]=4 61 B10R0.4 NCCCCCCCC(=O)O SY043332 [1,1,0,0,0,0|1,0,0]=3 62 B10R0.4 O=C(O)CCCCCCCO SY022019 [1,1,0,0,0,0|1,0,0]=3 63 B10R0.4 O=[N+]([O-])CCCCCCCO SY266583 [1,1,0,0,0,0|2,0,0]=4 64 B10R0.91 C#CCCC(O)CCCCC SY291821 [1,1,0,0,0,0|0,0,2]=4 65 B12R0.5 BrCCCCCCCCCCCBr SY051439 [0,2,0,0,0,0|1,0,1]=4 66 B12R0.5 C#CCCCCCCCCCCO SY058245 [0,2,0,0,0,0|0,0,2]=4 67 B12R0.5 N#CCCCCCCCCCC#N SY053732 [0,2,0,0,0,0|1,0,1]=4 68 B12R0.5 OCCCCCCCCCCCBr SY011480 [0,2,0,0,0,0|0,0,2]=4 69 B12R0.5 OCCCCCCCCCCCO SY019466 [0,2,0,0,0,0|0,0,2]=4 70 B12R0.234 C=CCCCCCCCC[N+](=O)[O-] SY266591 [0,2,0,0,0,0|1,0,1]=4 71 B12R0.234 CCCCCCCCCCC(=O)O SY007756 [0,2,0,0,0,0|0,0,0]=2 72 B12R0.234 CCCCCCCCCC[N+](=O)[O-] SY266514 [0,2,0,0,0,0|0,0,1]=3 73 B12R0.234 CCOCCCCCCCC(=O)O SY293413 [0,2,0,0,0,0|0,0,0]=2 74 B12R0.234 NCCCCCCCCCC(=O)O SY233441 [0,2,0,0,0,0|0,0,0]=2 75 B12R0.234 O=C(O)CCCCCCCCCBr SY018373 [0,2,0,0,0,0|0,0,0]=2 76 B12R0.234 O=C(O)CCCCCCCCCO SY018296 [0,2,0,0,0,0|0,0,0]=2 77 B12R0.234 O=[N+]([O-])CCCCCCCCCBr SY266581 [0,2,0,0,0,0|1,0,0]=3 78 B12R0.234 O=[N+]([O-])CCCCCCCCCO SY266579 [0,2,0,0,0,0|1,0,0]=3 79 B12R0.277 CCOC(=O)CCCCCC(=O)O SY049704 [0,2,0,0,0,0|1,0,1]=4 80 B12R0.184 COC(=O)CCCCCCC(=O)Cl SY122088 [0,2,0,0,0,0|1,0,1]=4 81 B12R0.184 COC(=O)CCCCCCC(=O)O SY015451 [0,2,0,0,0,0|1,0,1]=4 82 B12R0.111 CCCCCCC(CBr)CCCC SY100659 [0,2,0,0,0,0|1,0,1]=4 83 B12R0.119 CCCCCCCCCS(=O)(=O)[O-] SY037879 [0,2,0,0,0,0|1,0,0]=3 84 B12R0.119 CCCCCCCCOP(=O)(Cl)Cl SY295464 [0,2,0,0,0,0|2,0,0]=4 85 B12R0.119 CCCCCCCCOP(=O)(O)O SY244774 [0,2,0,0,0,0|2,0,0]=4 86 B10R1.17 BrCCCN1CCCCC1 SY034421 [1,0,0,1,0,0|2,0,0]=4 87 B10R1.17 COCC[C@@H]1CCCCN1 SY105723 [1,0,0,1,0,0|2,0,0]=4 88 B10R1.17 NCCOC1CCCCC1 SY006719 [1,0,0,1,0,0|2,0,0]=4 89 B10R1.17 NNCCC1CCCCC1 SY193552 [1,0,0,1,0,0|2,0,0]=4 90 B10R1.17 NOCCC1CCCCC1 SY281847 [1,0,0,1,0,0|2,0,0]=4 91 B10R1.17 NOCCC1CCCCC1 SY281848 [1,0,0,1,0,0|2,0,0]=4 92 B10R1.17 OCCCC1CCCCN1 SY023124 [1,0,0,1,0,0|1,0,1]=4 93 B10R1.17 OCCCC1CCCNC1 SY022171 [1,0,0,1,0,0|1,0,1]=4 94 B10R1.17 OCCCC1CCNCC1 SY002538 [1,0,0,1,0,0|1,0,1]=4 95 B10R1.17 OCCCN1CCCCC1 SY001213 [1,0,0,1,0,0|1,0,1]=4 96 B10R1.17 OCCOC1CCCCC1 SY006715 [1,0,0,1,0,0|1,0,1]=4 97 B10R1.19 N#CC1CCCCCC1=O SY251081 [1,0,0,1,0,0|1,0,1]=4 98 B10R1.19 O=CC1CCCCCC1Cl SY264304 [1,0,0,1,0,0|1,0,0]=3 99 B10R1.20 OC[C@@H]1CCCC[C@H]1CO SY078689 [1,0,0,1,0,0|1,0,1]=4 100 B10R1.21 BrCCCCN1CCCC1 SY040484 [1,0,0,1,0,0|2,0,0]=4 101 B10R1.21 NCCCCN1CCCC1 SY122144 [1,0,0,1,0,0|2,0,0]=4 102 B10R1.29 N#CCCC1CCCC1=O SY262857 [1,0,0,1,0,0|1,0,1]=4 103 B10R1.78 O=C1CCCCCCCC1 SY129777 [1,0,0,1,0,0|0,0,0]=2 104 B10R1.85 OCCN1CCCCCC1 SY101139 [1,0,0,1,0,0|1,0,1]=4 105 B10R1.177 BrCCCCCCC1CO1 SY307689 [1,0,0,1,0,0|1,0,1]=4 106 B12R1.8 BrCCCCCN1CCCCC1 SY040491 [0,1,0,1,0,0|1,0,1]=4 107 B12R1.37 BrCCCCCCN1CCCC1 SY040494 [0,1,0,1,0,0|1,0,1]=4 108 B12R1.28 CCCCCC1CCCC(=O)O1 SY015319 [0,1,0,1,0,0|0,0,0]=2 109 B12R1.308 CCOC(=O)C1CCCCC1=O SY014901 [0,1,0,1,0,0|1,0,1]=4 110 B12R1.318 CCOC(=O)CC1CCCC1=O SY021678 [0,1,0,1,0,0|1,0,1]=4 111 B12R1.7 CCCCCCC1CCC(=O)O1 SY015566 [0,1,0,1,0,0|0,0,0]=2 112 B12R1.365 COC(=O)C1CCCCCC1=O SY003474 [0,1,0,1,0,0|1,0,1]=4 113 B12R1.252 O=C(O)CCOC1CCCCO1 SY249968 [0,1,0,1,0,0|2,0,0]=4 114 B12R1.255 O=C(O)CCCCC1CCSS1 SY010902 [0,1,0,1,0,0|2,0,0]=4 115 B12R2.7 O=C1CCCCC12OCCO2 SY249431 [0,0,0,2,0,0|2,0,0]=4 116 B12R2.130 O=C1CCC2CC1CCC2=O SY157812 [0,0,0,2,0,0|1,0,1]=4 117 B12R2.1081 O=C1CCCC2CNCCN12 SY275677 [0,0,0,2,0,0|2,0,0]=4 118 B12R2.8 O=C1NCCC12CCCNC2 SY102170 [0,0,0,2,0,0|2,0,0]=4 119 B12R2.8 O=C1NCCC12CCNCC2 SY004078 [0,0,0,2,0,0|2,0,0]=4 120 B12R2.23 O=C1CCN1C2CCNCC2 SY274852 [0,0,0,2,0,0|2,0,0]=4 121 B12R2.23 O=C1CCN1C2CCNCC2 SY301312 [0,0,0,2,0,0|2,0,0]=4