0 B12R0.234 C=CCCCCCCCCC(=O)O HR135063 [0,0,0,0,0,0|0,0,4]=4 1 B12R0.234 CC(=O)OCCCCCCCCBr HR116347 [0,0,0,0,0,0|3,0,1]=4 2 B12R0.234 CCCCCCCCCCB(O)O HR112887 [0,0,0,0,0,0|1,0,3]=4 3 B12R0.234 CCCCCCCCCCC(=O)Cl HR103738 [0,0,0,0,0,0|1,0,2]=3 4 B12R0.234 CCCCCCCCCCC(=O)O HR117809 [0,0,0,0,0,0|0,0,2]=2 5 B12R0.234 CCCCCCCCCOC(C)=O HR141094 [0,0,0,0,0,0|2,0,1]=3 6 B12R0.234 CCCCCCC\C=C\CC(C)=O HR112059 [0,0,0,0,0,0|1,0,2]=3 7 B12R0.234 O=C(O)CCCCCCCCCBr HR123779 [0,0,0,0,0,0|1,0,2]=3 8 B12R0.234 O=C(O)CCCCCCCCCO HR124047 [0,0,0,0,0,0|1,0,2]=3 9 B12R0.234 O=C(O)\C=C\CCCCCCCO HR135287 [0,0,0,0,0,0|1,0,0]=1 10 B12R0.234 O=C(O)\C=C\CCCCCCCO HR136848 [0,0,0,0,0,0|1,0,0]=1 11 B11R0.3 C=CCCCCCCCCCC HR132651 [1,0,0,0,0,0|1,0,2]=4 12 B11R0.3 CCCCCCCCCCC=O HR139744 [1,0,0,0,0,0|0,0,2]=3 13 B11R0.3 CCCCCCCCCCCO HR142946 [1,0,0,0,0,0|0,0,3]=4 14 B11R0.3 CCCCCCCC\C=C\C=O HR113538 [1,0,0,0,0,0|0,0,0]=1 15 B11R0.3 CCCCCCCC\C=C\C=O HR127942 [1,0,0,0,0,0|0,0,0]=1 16 B11R0.3 CCCCCCCC\C=C\C=O HR145487 [1,0,0,0,0,0|0,0,0]=1 17 B11R0.3 CCCCCC\C=C\C=C\C=O HR107761 [1,0,0,0,0,0|0,0,2]=3 18 B11R0.148 C=CCCCCCCCC(=O)O HR100560 [1,0,0,0,0,0|0,0,3]=4 19 B11R0.148 CCCCCCCCCB(O)O HR124303 [1,0,0,0,0,0|1,0,2]=4 20 B11R0.148 CCCCCCCCCC(=O)Cl HR134539 [1,0,0,0,0,0|1,0,1]=3 21 B11R0.148 CCCCCCCCCC(=O)O HR134532 [1,0,0,0,0,0|0,0,1]=2 22 B11R0.148 CCCCCCCCCC(C)=O HR122893 [1,0,0,0,0,0|1,0,1]=3 23 B11R0.148 CCCCCCCCCC(C)O HR138194 [1,0,0,0,0,0|1,0,2]=4 24 B11R0.148 CCCCCCCCOC(=O)Cl HR136604 [1,0,0,0,0,0|2,0,0]=3 25 B11R0.148 CCCCCCCCOC(C)=O HR128593 [1,0,0,0,0,0|2,0,0]=3 26 B11R0.148 CCCCCCCCSC(=O)Cl HR106031 [1,0,0,0,0,0|2,0,0]=3 27 B11R0.148 CCCC\C=C\CCCC(=O)O HR126775 [1,0,0,0,0,0|0,0,3]=4 28 B11R0.148 CCCC\C=C\CCCC(=O)O HR134811 [1,0,0,0,0,0|0,0,3]=4 29 B13R0.54 CCCCCCCCCCCC(=O)O HR127301 [0,1,0,0,0,0|0,0,2]=3 30 B13R0.54 CCCCCCCCCCCC(=O)O HR130279 [0,1,0,0,0,0|0,0,2]=3 31 B13R0.54 CCCCCCCCCCCC(=O)[O-] HR101213 [0,1,0,0,0,0|0,0,3]=4 32 B13R0.54 CCCCCCCCCCCC(=O)[O-] HR101732 [0,1,0,0,0,0|0,0,3]=4 33 B13R0.54 CCCCCCCCCCCC(=O)[O-] HR110772 [0,1,0,0,0,0|0,0,3]=4 34 B13R0.54 CCCCCCCCCCCC(=O)[O-] HR123306 [0,1,0,0,0,0|0,0,3]=4 35 B13R0.54 CCCCCCCCCCCC(=O)[O-] HR134494 [0,1,0,0,0,0|0,0,3]=4 36 B13R0.54 CCCCCCCCCCCC(=O)[O-] HR138770 [0,1,0,0,0,0|0,0,3]=4 37 B13R0.54 CCCCCCCCCCCC(=O)[O-] HR145601 [0,1,0,0,0,0|0,0,3]=4 38 B13R0.54 CCCCCCCCCCCC(C)=O HR137937 [0,1,0,0,0,0|1,0,2]=4 39 B13R0.54 CCCCCCCCCCCC(N)=O HR139461 [0,1,0,0,0,0|1,0,2]=4 40 B13R0.54 CCCCCCCCCCOC(C)=O HR144588 [0,1,0,0,0,0|1,0,2]=4 41 B13R0.54 CCCCCCCCC\C=C\C(=O)O HR145698 [0,1,0,0,0,0|0,0,0]=1 42 B13R0.54 NCCCCCCCCCCC(=O)O HR135586 [0,1,0,0,0,0|0,0,2]=3 43 B13R0.54 O=C(O)CCCCCCCCCCBr HR135855 [0,1,0,0,0,0|0,0,2]=3 44 B13R0.147 CCCCCCCCCCC(=O)OC HR105374 [0,1,0,0,0,0|0,0,2]=3 45 B13R0.147 CCCCCCC\C=C\CC(=O)CC HR111744 [0,1,0,0,0,0|1,0,2]=4 46 B13R0.154 CCCCCCCC(=O)NCC(=O)O HR107840 [0,1,0,0,0,0|1,0,2]=4 47 B13R0.280 CCCCCCCCCCP(=O)(O)O HR108277 [0,1,0,0,0,0|1,0,2]=4 48 B13R1.27 CCCCCCCC1CCC(=O)O1 HR128195 [0,0,0,1,0,0|0,0,2]=3 49 B13R1.27 CCCCCCCC1CCC(=O)O1 HR137523 [0,0,0,1,0,0|0,0,2]=3 50 B13R1.279 O=C1CCCCCCCCCCC1 HR142951 [0,0,0,1,0,0|1,0,2]=4 51 B10R0.71 C=CCCCCCCCCBr HR109564 [2,0,0,0,0,0|1,0,1]=4 52 B10R0.71 C=CCCCCCCCCC HR105109 [2,0,0,0,0,0|0,0,1]=3 53 B10R0.71 CCCCCCCCCC=O HR134642 [2,0,0,0,0,0|0,0,1]=3 54 B10R0.71 CCCCCCCCCCO HR128836 [2,0,0,0,0,0|0,0,2]=4 55 B10R0.71 CCCCCCCCN=C=O HR123072 [2,0,0,0,0,0|1,0,1]=4 56 B10R0.71 CCCCCCC\C=C\C=O HR128736 [2,0,0,0,0,0|0,0,0]=2 57 B10R0.71 CCCCCCC\C=C\C=O HR131473 [2,0,0,0,0,0|0,0,0]=2 58 B10R0.71 CCCCC\C=C\C=C\C=O HR115428 [2,0,0,0,0,0|0,0,2]=4 59 B10R0.71 CCCCC\C=C\C=C\C=O HR141503 [2,0,0,0,0,0|0,0,2]=4 60 B10R0.4 CCCCCCCCB(O)O HR112254 [2,0,0,0,0,0|1,0,1]=4 61 B10R0.4 CCCCCCCCC(=O)Cl HR138656 [2,0,0,0,0,0|1,0,0]=3 62 B10R0.4 CCCCCCCCC(=O)O HR105283 [2,0,0,0,0,0|0,0,0]=2 63 B10R0.4 CCCCCCCCC(=O)O HR126114 [2,0,0,0,0,0|0,0,0]=2 64 B10R0.4 CCCCCCCOC(=O)Cl HR121658 [2,0,0,0,0,0|2,0,0]=4 65 B10R0.4 CCCCCCCOC(C)=O HR112433 [2,0,0,0,0,0|2,0,0]=4 66 B10R0.4 NCCCCCCCC(=O)O HR114732 [2,0,0,0,0,0|1,0,0]=3 67 B10R0.4 NCCCCCCNC(=O)O HR127649 [2,0,0,0,0,0|2,0,0]=4 68 B10R0.4 O=C(O)CCCCCCCBr HR131147 [2,0,0,0,0,0|1,0,0]=3 69 B10R0.4 O=C(O)CCCCCCCS HR101262 [2,0,0,0,0,0|1,0,0]=3 70 B12R0.5 CCCCCCCCC\C=C\C=O HR128478 [1,1,0,0,0,0|0,0,0]=2 71 B12R0.5 CCCCCCC\C=C\C=C\C=O HR105608 [1,1,0,0,0,0|0,0,1]=3 72 B12R0.5 C\C=C\C=C\CCCCCCCO HR140246 [1,1,0,0,0,0|1,0,1]=4 73 B12R0.248 CCCCCCCCCC(C)C=O HR143715 [1,1,0,0,0,0|0,0,2]=4 74 B12R0.233 CCCCCC(O)CCCC(=O)O HR100674 [1,1,0,0,0,0|0,0,1]=3 75 B12R0.251 CCCCCCCCC(C)C(=O)O HR115066 [1,1,0,0,0,0|0,0,1]=3 76 B12R0.268 CC(=O)OCCCCCCC(C)C HR140542 [1,1,0,0,0,0|2,0,0]=4 77 B14R0.337 CCCCCCCCCCCC(=O)OC HR136855 [0,2,0,0,0,0|0,0,2]=4 78 B14R0.340 CCCCCCCCCCC(N)C(=O)O HR146220 [0,2,0,0,0,0|0,0,2]=4 79 B14R0.340 CCCCCCCCCCC(N)C(=O)O HR146221 [0,2,0,0,0,0|0,0,2]=4 80 B14R0.340 CCCCCCCCCCC(N)C(=O)O HR146222 [0,2,0,0,0,0|0,0,2]=4 81 B14R0.340 CCCCCCCCCCC(O)C(=O)O HR143633 [0,2,0,0,0,0|0,0,2]=4 82 B14R0.394 CCCCCCCCCCCCC(=O)O HR141487 [0,2,0,0,0,0|0,0,2]=4 83 B14R0.394 NCCCCCCCCCCCC(=O)O HR103991 [0,2,0,0,0,0|0,0,2]=4 84 B14R0.2680 CC(C)(C)CCCCCCCCC(=O)O HR100885 [0,2,0,0,0,0|0,0,2]=4 85 B12R1.37 CCCCCCCC1=CC=CO1 HR129439 [1,0,0,1,0,0|0,0,1]=3 86 B12R1.372 CCCCCCC1CCCC1=O HR100603 [1,0,0,1,0,0|0,0,2]=4 87 B12R1.28 CCCCCC1=CC=CC(=O)O1 HR121158 [1,0,0,1,0,0|0,0,2]=4 88 B12R1.28 CCCCCC1CCCC(=O)O1 HR130757 [1,0,0,1,0,0|0,0,1]=3 89 B12R1.62 CCCCCCCC1CC(=O)O1 HR131577 [1,0,0,1,0,0|0,0,1]=3 90 B12R1.252 O=C(O)CCCC1CCNCC1 HR101240 [1,0,0,1,0,0|1,0,1]=4 91 B12R1.252 O=C([O-])CCCC1CCCCC1 HR100948 [1,0,0,1,0,0|0,0,2]=4 92 B14R1.220 CCCCCCC1=CC=C(C(=O)O)S1 HR153369 [0,1,0,1,0,0|0,0,2]=4 93 B14R1.122 CCCCCCCCC1=CC=C(Br)S1 HR153377 [0,1,0,1,0,0|1,1,0]=4 94 B14R1.122 CCCCCCCCC1CCC(=O)O1 HR131307 [0,1,0,1,0,0|0,0,2]=4 95 B14R1.14 CCCCCCCc1ccc(O)cc1 HR124141 [0,1,0,1,0,0|1,0,1]=4 96 B14R2.781 O=C(O)C1CC2CCCCC2CN1 HR141568 [0,0,0,2,0,0|1,0,1]=4 97 B14R2.31359 O=C(O)C1NCCC2CCCCC21 HR149832 [0,0,0,2,0,0|1,0,1]=4