0 B12R0.234 C=CCCCCCCCCC(=O)O 228026 [0,0,0,0,0,0|0,0,2]=2 1 B12R0.234 C=CCCCCCCCCC(=O)O 386316 [0,0,0,0,0,0|0,0,2]=2 2 B12R0.234 CCCCCCCCCCN(C)C 460597 [0,0,0,0,0,0|3,0,0]=3 3 B12R0.234 O=C(O)CCCCCCCCCBr 215643 [0,0,0,0,0,0|1,0,0]=1 4 B11R0.3 BrCCCCCCCCCCBr 126000 [1,0,0,0,0,0|2,0,1]=4 5 B11R0.3 C#CCCCCCCCCCO 013739 [1,0,0,0,0,0|0,0,3]=4 6 B11R0.3 C=CCCCCCCCCCBr 001789 [1,0,0,0,0,0|2,0,0]=3 7 B11R0.3 C=CCCCCCCCCCC 200052 [1,0,0,0,0,0|1,0,0]=2 8 B11R0.3 C=CCCCCCCCCCCl 005335 [1,0,0,0,0,0|2,0,0]=3 9 B11R0.3 C=CCCCCCCCCCO 075031 [1,0,0,0,0,0|2,0,0]=3 10 B11R0.3 CCCCCCCCCCCC 099221 [1,0,0,0,0,0|1,0,1]=3 11 B11R0.3 CCCCCCCCCCCO 349306 [1,0,0,0,0,0|0,0,1]=2 12 B11R0.3 CCCCCCCCNCCC 105042 [1,0,0,0,0,0|2,0,1]=4 13 B11R0.3 CCCCCCCC\C=C\C=O 104010 [1,0,0,0,0,0|0,0,2]=3 14 B11R0.3 CNCCCCCCCCCO 104744 [1,0,0,0,0,0|1,0,1]=3 15 B11R0.3 C\C=C\CCCCCCCC=O 104614 [1,0,0,0,0,0|0,0,2]=3 16 B11R0.3 ICCCCCCCCCCI 241327 [1,0,0,0,0,0|2,0,1]=4 17 B11R0.3 NCCCCCCCCCCN 235695 [1,0,0,0,0,0|2,0,1]=4 18 B11R0.3 OCCCCCCCCCCO 221944 [1,0,0,0,0,0|1,0,1]=3 19 B11R0.148 C=CCCCCCCCC(=O)O 002775 [1,0,0,0,0,0|0,0,2]=3 20 B11R0.148 CCCCCCCCCC(=O)Cl 099542 [1,0,0,0,0,0|1,0,0]=2 21 B11R0.148 CCCCCCCCCC(=O)O 102961 [1,0,0,0,0,0|0,0,0]=1 22 B11R0.148 CCCCCCCCCC(C)=O 106727 [1,0,0,0,0,0|1,0,0]=2 23 B11R0.148 CCCCCCCCCC(N)=O 180363 [1,0,0,0,0,0|1,0,0]=2 24 B11R0.148 CCCCCCCCNC(N)=S 018931 [1,0,0,0,0,0|2,1,0]=4 25 B11R0.148 COCCOCCOCC(=O)O 104092 [1,0,0,0,0,0|3,0,0]=4 26 B11R0.148 O=C(O)CCCCCCCCBr 036989 [1,0,0,0,0,0|1,0,0]=2 27 B13R0.54 CCCCCCCCCCCC(=O)Cl 510088 [0,1,0,0,0,0|1,0,0]=2 28 B13R0.54 CCCCCCCCCCCC(=O)O 098848 [0,1,0,0,0,0|0,0,0]=1 29 B13R0.54 CCCCCCCCCCCC(C)=O 232943 [0,1,0,0,0,0|1,0,0]=2 30 B13R0.54 NC(=O)CCCCCCCCCCBr 104898 [0,1,0,0,0,0|1,0,0]=2 31 B13R0.54 NCCCCCCCCCCC(=O)O 239061 [0,1,0,0,0,0|0,0,0]=1 32 B13R0.54 O=C(Cl)CCCCCCCCCCBr 477866 [0,1,0,0,0,0|1,0,0]=2 33 B13R0.54 O=C(O)CCCCCCCCCCBr 216501 [0,1,0,0,0,0|0,0,0]=1 34 B13R0.54 O=C(O)CCCCCCCCCCO 008686 [0,1,0,0,0,0|0,0,0]=1 35 B13R0.154 CCCCCCCC(O)CCC(N)=O 104685 [0,1,0,0,0,0|1,0,0]=2 36 B13R0.179 O=C(Cl)CCCCCCCCC(=O)Cl 245759 [0,1,0,0,0,0|2,0,1]=4 37 B13R0.179 O=C(O)CCCCCCCCC(=O)O 239585 [0,1,0,0,0,0|1,0,1]=3 38 B13R0.280 CCCCCCCCCCS(=O)(=O)[O-] 009634 [0,1,0,0,0,0|1,0,1]=3 39 B13R0.280 CCCCCCCCCC[Si](C)(C)Cl S05525 [0,1,0,0,0,0|2,1,0]=4 40 B13R1.27 CCCCCCCC1CCC(=O)O1 240934 [0,0,0,1,0,0|0,0,0]=1 41 B13R1.279 O=C1CCCCCCCCCCC1 099330 [0,0,0,1,0,0|1,0,0]=2 42 B13R1.337 O=C(O)CCCCC1CCCCC1 105833 [0,0,0,1,0,0|0,0,0]=1 43 B10R0.71 C=CCCCCCCCCBr 003439 [2,0,0,0,0,0|1,0,1]=4 44 B10R0.71 C=CCCCCCCCCI 105744 [2,0,0,0,0,0|1,0,1]=4 45 B10R0.71 C=CCCCCCCCCO 102610 [2,0,0,0,0,0|0,0,2]=4 46 B10R0.71 CCCCC#CCCCCO 009120 [2,0,0,0,0,0|0,0,2]=4 47 B10R0.71 CCCCCCCC#CCO 009119 [2,0,0,0,0,0|0,0,2]=4 48 B10R0.71 CCCCCCCCCC#N 099664 [2,0,0,0,0,0|1,0,1]=4 49 B10R0.71 CCCCCCCCCC=O 223253 [2,0,0,0,0,0|0,0,0]=2 50 B10R0.71 CCCCCCCCCCBr 099716 [2,0,0,0,0,0|1,0,0]=3 51 B10R0.71 CCCCCCCCCCF 004615 [2,0,0,0,0,0|1,0,0]=3 52 B10R0.71 CCCCCCCCCCI 148000 [2,0,0,0,0,0|1,0,0]=3 53 B10R0.71 CCCCCCCCCCN 240983 [2,0,0,0,0,0|1,0,0]=3 54 B10R0.71 CCCCCCCCCCO 043323 [2,0,0,0,0,0|0,0,0]=2 55 B10R0.71 CCCCCCCCCCS 098561 [2,0,0,0,0,0|0,1,0]=3 56 B10R0.71 CCCCCCCCCSC 099662 [2,0,0,0,0,0|1,0,1]=4 57 B10R0.71 CCCCCCCCN=C=O 104259 [2,0,0,0,0,0|1,0,1]=4 58 B10R0.71 CCCCCCCCOC=O 102669 [2,0,0,0,0,0|1,0,0]=3 59 B10R0.71 CCCCCCC\C=C\C=O 319883 [2,0,0,0,0,0|0,0,2]=4 60 B10R0.71 CCCCCCNCCCC 105063 [2,0,0,0,0,0|1,0,1]=4 61 B10R0.71 CCCCCCNCCCN 105016 [2,0,0,0,0,0|2,0,0]=4 62 B10R0.71 CCCCCNCCCCC 098918 [2,0,0,0,0,0|1,0,1]=4 63 B10R0.71 CCCCOCCOCCO 448626 [2,0,0,0,0,0|2,0,0]=4 64 B10R0.71 ClCCCCCCCCCCl 210315 [2,0,0,0,0,0|2,0,0]=4 65 B10R0.71 NCCCCCCCCCN 493684 [2,0,0,0,0,0|2,0,0]=4 66 B10R0.71 OCCCCCCCCCBr 040707 [2,0,0,0,0,0|1,0,0]=3 67 B10R0.4 CCCCCCCCC(=O)Cl 099081 [2,0,0,0,0,0|1,0,0]=3 68 B10R0.4 CCCCCCCCC(=O)O 161400 [2,0,0,0,0,0|0,0,0]=2 69 B10R0.4 CCCCCCCCC(N)=O 099214 [2,0,0,0,0,0|1,0,0]=3 70 B10R0.4 CCCCCCCNC(C)=O 104336 [2,0,0,0,0,0|2,0,0]=4 71 B10R0.4 CCCCCCCOC(=O)Cl 024777 [2,0,0,0,0,0|2,0,0]=4 72 B10R0.4 NC(=O)CCCCCCCBr 104466 [2,0,0,0,0,0|2,0,0]=4 73 B10R0.4 O=C(Cl)CCCCCCCBr 477501 [2,0,0,0,0,0|2,0,0]=4 74 B10R0.4 O=C(O)CCCCCCCBr BR1099 [2,0,0,0,0,0|1,0,0]=3 75 B12R0.5 CCCCCCCCCCCC=O 099711 [1,1,0,0,0,0|0,0,0]=2 76 B12R0.5 CCCCCCCCCCCCBr BR1063 [1,1,0,0,0,0|1,0,1]=4 77 B12R0.5 CCCCCCCCCCCCC 242173 [1,1,0,0,0,0|1,0,1]=4 78 B12R0.5 CCCCCCCCCCCCCl 103779 [1,1,0,0,0,0|1,0,1]=4 79 B12R0.5 CCCCCCCCCCCCN 358344 [1,1,0,0,0,0|1,0,1]=4 80 B12R0.5 CCCCCCCCCCCCO 358252 [1,1,0,0,0,0|0,0,1]=3 81 B12R0.5 CCCCCCCCCCCCS 095002 [1,1,0,0,0,0|0,1,1]=4 82 B12R0.5 CCCCCCCCCCN=C=S 008787 [1,1,0,0,0,0|0,1,1]=4 83 B12R0.5 CCCCCCCCC\C=C\C=O 106698 [1,1,0,0,0,0|0,0,1]=3 84 B12R0.5 CCCCCCCCNCCC#N 018928 [1,1,0,0,0,0|1,0,1]=4 85 B12R0.5 CCCCCCCCNCCCC 105074 [1,1,0,0,0,0|1,0,1]=4 86 B12R0.5 CCCCCCCCNCCCN 105080 [1,1,0,0,0,0|1,0,1]=4 87 B12R0.5 CCCCCCNCCCCCC 336045 [1,1,0,0,0,0|1,0,1]=4 88 B12R0.5 CCCCCCOCCOCCO 099210 [1,1,0,0,0,0|1,0,1]=4 89 B12R0.5 OCCCCCCCCCCCBr 216396 [1,1,0,0,0,0|0,0,1]=3 90 B12R0.248 CCCCCCCCCC(C)C=O 103624 [1,1,0,0,0,0|0,0,0]=2 91 B12R0.184 COC(=O)CCCCCCC(=O)O 240769 [1,1,0,0,0,0|1,0,1]=4 92 B12R0.277 CCOC(=O)CCCCCC(=O)O 024652 [1,1,0,0,0,0|1,0,1]=4 93 B14R0.88 CCCCCCCCCCOS(=O)(=O)[O-] 001075 [0,2,0,0,0,0|1,0,1]=4 94 B14R0.88 CCCCCCCCCCOS(=O)(=O)[O-] 098793 [0,2,0,0,0,0|1,0,1]=4 95 B14R0.305 COC(=O)CCCCCCCCC(=O)Cl 102604 [0,2,0,0,0,0|1,0,1]=4 96 B14R0.305 COC(=O)CCCCCCCCC(=O)O 105807 [0,2,0,0,0,0|0,0,1]=3 97 B14R0.337 CCCCCCCCCCCC(=O)CC 188340 [0,2,0,0,0,0|1,0,0]=3 98 B14R0.337 COC(=O)CCCCCCCCCCBr 102375 [0,2,0,0,0,0|0,0,0]=2 99 B14R0.394 CCCCCCCCCCCCC(=O)O 321977 [0,2,0,0,0,0|0,0,0]=2 100 B14R0.394 NCCCCCCCCCCCC(=O)O 099086 [0,2,0,0,0,0|0,0,0]=2 101 B14R0.2056 CCCCCCCCCCC(C)(C)CO 180930 [0,2,0,0,0,0|1,0,1]=4 102 B14R0.2056 CCCCCCCCCC[Si](C)(C)OC S05535 [0,2,0,0,0,0|1,1,0]=4 103 B12R1.372 CCCCCCN1CCCC1=O 040278 [1,0,0,1,0,0|1,0,0]=3 104 B12R1.28 CCCCCC1CCCC(=O)O1 235502 [1,0,0,1,0,0|0,0,0]=2 105 B12R1.252 O=C(O)CCCC1CCCCC1 099671 [1,0,0,1,0,0|0,0,0]=2 106 B12R1.252 O=C(O)CCCC1CCNCC1 040577 [1,0,0,1,0,0|1,0,0]=3 107 B12R1.255 O=C(O)CCCCC1CCSS1 079457 [1,0,0,1,0,0|2,0,0]=4 108 B12R1.255 O=C(O)CCCC[C@@H]1CCSS1 091927 [1,0,0,1,0,0|2,0,0]=4 109 B14R1.4408 O=C1CCCCCCCCCCCN1 099030 [0,1,0,1,0,0|1,0,0]=3 110 B14R1.3331 O=S(=O)(O)CCCNC1CCCCC1 M01457 [0,1,0,1,0,0|2,0,0]=4