0 B14R0.393 CCCCCCCCCCC(=O)OCC E139107 [0,0,0,0,0,0|0,0,0]=0 1 B14R0.393 CCCCCCCCCNC(=O)CCS M345283 [0,0,0,0,0,0|3,0,0]=3 2 B14R0.393 CCOC(=O)CCCCCCCCC=C E156058 [0,0,0,0,0,0|0,0,2]=2 3 B13R0.2 CCCCCC=CCCC(=O)OCC E156253 [1,0,0,0,0,0|0,0,2]=3 4 B13R0.2 CCCCCCCC=CC(=O)OCC E156569 [1,0,0,0,0,0|0,0,2]=3 5 B13R0.2 CCCCCCCCCC(=O)OC=C V162946 [1,0,0,0,0,0|0,0,2]=3 6 B13R0.2 CCCCCCCCCC(=O)OCC E101444 [1,0,0,0,0,0|0,0,0]=1 7 B13R0.2 CCCCCCCCOC(=O)CCC O586366 [1,0,0,0,0,0|2,0,0]=3 8 B13R0.147 CCCCCCCCCCC(=O)OC M111296 [1,0,0,0,0,0|0,0,0]=1 9 B13R0.147 CCCCCCCCCCC(=O)OC M111297 [1,0,0,0,0,0|0,0,0]=1 10 B13R0.147 CCCCCCCCCCC(CO)O D156002 [1,0,0,0,0,0|1,0,2]=4 11 B13R0.147 COC(=O)CCCCCCCCC=C M128778 [1,0,0,0,0,0|0,0,2]=3 12 B13R0.147 COC(=O)CCCCCCCCC=O M158151 [1,0,0,0,0,0|1,0,1]=3 13 B13R0.147 COC(=O)CCCCCCCCCBr M334229 [1,0,0,0,0,0|1,0,0]=2 14 B13R0.147 COC(=O)CCCCCCCCCBr M466962 [1,0,0,0,0,0|1,0,0]=2 15 B13R0.336 CCCCCCCCCCCCCBr B152586 [1,0,0,0,0,0|2,0,1]=4 16 B13R0.336 CCCCCCCCCCCCCC N302729 [1,0,0,0,0,0|1,0,1]=3 17 B13R0.336 CCCCCCCCCCCCCC T100022 [1,0,0,0,0,0|1,0,1]=3 18 B13R0.336 CCCCCCCCCCCCCC T100023 [1,0,0,0,0,0|1,0,1]=3 19 B13R0.336 CCCCCCCCCCCCCC T100024 [1,0,0,0,0,0|1,0,1]=3 20 B13R0.336 CCCCCCCCCCCCCC T100025 [1,0,0,0,0,0|1,0,1]=3 21 B13R0.336 CCCCCCCCCCCCCCl C153588 [1,0,0,0,0,0|2,0,1]=4 22 B13R0.336 CCCCCCCCCCCCCN A151434 [1,0,0,0,0,0|2,0,1]=4 23 B13R0.336 CCCCCCCCCCCCCO T105003 [1,0,0,0,0,0|2,0,1]=4 24 B13R0.336 CCCCCCCCCCCCCO T350530 [1,0,0,0,0,0|2,0,1]=4 25 B13R0.336 CCCCCCCCCCCCNC N339197 [1,0,0,0,0,0|2,0,1]=4 26 B13R0.336 CCCCCCCCCCCCSC D103106 [1,0,0,0,0,0|2,0,1]=4 27 B15R0.366 CCCCCCCCCCCC(=O)OC=C V162935 [0,1,0,0,0,0|0,0,2]=3 28 B15R0.366 CCCCCCCCCCCC(=O)OCC E113259 [0,1,0,0,0,0|0,0,0]=1 29 B15R0.366 CCOC(=O)CCCCCCCCCCBr E135231 [0,1,0,0,0,0|0,0,0]=1 30 B15R0.408 CCOC(=O)CCCCCCC(=O)OCC D155894 [0,1,0,0,0,0|1,0,1]=3 31 B15R1.528 C1COC(O1)CCCCCCCCCBr B589583 [0,0,0,1,0,0|1,0,2]=4 32 B15R1.5365 CCCCCCCCC1CC(=O)OC1=O N158904 [0,0,0,1,0,0|1,0,1]=3 33 B12R0.1 CCCCCCCCC(=O)OCC E156541 [2,0,0,0,0,0|0,0,0]=2 34 B12R0.1 CCOC(=O)CCCCCCCBr E183505 [2,0,0,0,0,0|1,0,0]=3 35 B12R0.5 CCCCCCCCCC=CCO T161454 [2,0,0,0,0,0|1,0,1]=4 36 B12R0.5 CCCCCCCCCCCCBr B105789 [2,0,0,0,0,0|1,0,1]=4 37 B12R0.5 CCCCCCCCCCCCC T108177 [2,0,0,0,0,0|0,0,1]=3 38 B12R0.5 CCCCCCCCCCCCC T108178 [2,0,0,0,0,0|0,0,1]=3 39 B12R0.5 CCCCCCCCCCCCC T108179 [2,0,0,0,0,0|0,0,1]=3 40 B12R0.5 CCCCCCCCCCCCC T108180 [2,0,0,0,0,0|0,0,1]=3 41 B12R0.5 CCCCCCCCCCCCCl C110969 [2,0,0,0,0,0|1,0,1]=4 42 B12R0.5 CCCCCCCCCCCCF F169659 [2,0,0,0,0,0|1,0,1]=4 43 B12R0.5 CCCCCCCCCCCCI I157556 [2,0,0,0,0,0|1,0,1]=4 44 B12R0.5 CCCCCCCCCCCCN D113938 [2,0,0,0,0,0|1,0,1]=4 45 B12R0.5 CCCCCCCCCCCCN D113939 [2,0,0,0,0,0|1,0,1]=4 46 B12R0.5 CCCCCCCCCCCCN D154685 [2,0,0,0,0,0|1,0,1]=4 47 B12R0.5 CCCCCCCCCCCCN D154916 [2,0,0,0,0,0|1,0,1]=4 48 B12R0.5 CCCCCCCCCCCCN D292887 [2,0,0,0,0,0|1,0,1]=4 49 B12R0.5 CCCCCCCCCCCCN D292896 [2,0,0,0,0,0|1,0,1]=4 50 B12R0.5 CCCCCCCCCCCCO D112297 [2,0,0,0,0,0|1,0,1]=4 51 B12R0.5 CCCCCCCCCCCCO D112298 [2,0,0,0,0,0|1,0,1]=4 52 B12R0.5 CCCCCCCCCCCCO D112299 [2,0,0,0,0,0|1,0,1]=4 53 B12R0.5 CCCCCCCCCCCCO D431501 [2,0,0,0,0,0|1,0,1]=4 54 B12R0.5 CCCCCCCCCCCCS D105610 [2,0,0,0,0,0|1,0,1]=4 55 B12R0.5 CCCCCCNCCCCCC D105361 [2,0,0,0,0,0|1,0,1]=4 56 B12R0.5 CCCCCCSCCCCCC H157107 [2,0,0,0,0,0|1,0,1]=4 57 B12R0.248 CCCCCCCCCC(=O)CC D478717 [2,0,0,0,0,0|0,0,0]=2 58 B12R0.248 CCCCCCCCCC(=O)OC M107049 [2,0,0,0,0,0|0,0,0]=2 59 B12R0.248 CCCCCCCCCC(=O)OC M107050 [2,0,0,0,0,0|0,0,0]=2 60 B12R0.248 CCCCCCCCCC(=O)OC M107051 [2,0,0,0,0,0|0,0,0]=2 61 B12R0.248 CCCCCCCCCC(=O)OC M118488 [2,0,0,0,0,0|0,0,0]=2 62 B12R0.248 CCCCCCCCOC(=O)CS N159502 [2,0,0,0,0,0|2,0,0]=4 63 B12R0.248 COC(=O)CCCCCCCCO M135472 [2,0,0,0,0,0|1,0,0]=3 64 B12R0.234 C#CCCCCCCCCC(=O)O U162912 [2,0,0,0,0,0|0,0,2]=4 65 B12R0.234 C(CCCCC(=O)O)CCCCBr C118560 [2,0,0,0,0,0|1,0,0]=3 66 B12R0.234 C(CCCCC(=O)O)CCCCO H115187 [2,0,0,0,0,0|1,0,0]=3 67 B12R0.234 C=CCCCCCCCCC(=O)O U106483 [2,0,0,0,0,0|0,0,2]=4 68 B12R0.234 C=CCCCCCCCCC(=O)O U106484 [2,0,0,0,0,0|0,0,2]=4 69 B12R0.234 CCCCCCCCC=CC(=O)O U303689 [2,0,0,0,0,0|0,0,2]=4 70 B12R0.234 CCCCCCCCCCC(=O)C D154643 [2,0,0,0,0,0|0,0,0]=2 71 B12R0.234 CCCCCCCCCCC(=O)Cl U101147 [2,0,0,0,0,0|1,0,0]=3 72 B12R0.234 CCCCCCCCCCC(=O)O U109481 [2,0,0,0,0,0|0,0,0]=2 73 B12R0.234 CCCCCCCCCCC(=O)O U109482 [2,0,0,0,0,0|0,0,0]=2 74 B12R0.234 CCCCCCCCCCC(=O)O U109483 [2,0,0,0,0,0|0,0,0]=2 75 B12R0.234 CCCCCCCCCCC(=O)O U420645 [2,0,0,0,0,0|0,0,0]=2 76 B12R0.234 CCCCCCCCCCC(C)O D154178 [2,0,0,0,0,0|0,0,2]=4 77 B12R0.234 CCCCCCCCCCN(C)C N159296 [2,0,0,0,0,0|2,0,0]=4 78 B12R0.234 CCCCCCCCCOC(=O)C N158996 [2,0,0,0,0,0|1,0,0]=3 79 B12R0.234 CCCCCCCCCOC(=O)Cl N158931 [2,0,0,0,0,0|2,0,0]=4 80 B14R0.1 CCOC(=O)CCCCCC(=O)OCC D135791 [1,1,0,0,0,0|1,0,1]=4 81 B14R0.391 CCCCCCCCCC(=O)OC(C)C I157448 [1,1,0,0,0,0|0,0,0]=2 82 B14R0.197 COC(=O)CCCCCCCC(=O)OC D155171 [1,1,0,0,0,0|1,0,1]=4 83 B14R0.197 COC(=O)CCCCCCCC(=O)OC D465414 [1,1,0,0,0,0|1,0,1]=4 84 B14R0.305 COC(=O)CCCCCCCCC(=O)O M158575 [1,1,0,0,0,0|1,0,1]=4 85 B14R0.337 CCCCCCCCCCCC(=O)CC T162162 [1,1,0,0,0,0|0,0,0]=2 86 B14R0.337 CCCCCCCCCCCC(=O)NC N159399 [1,1,0,0,0,0|1,0,0]=3 87 B14R0.337 CCCCCCCCCCCC(=O)OC M108594 [1,1,0,0,0,0|0,0,0]=2 88 B14R0.337 CCCCCCCCCCCC(=O)OC M108595 [1,1,0,0,0,0|0,0,0]=2 89 B14R0.337 CCCCCCCCCCCC(=O)OC M108597 [1,1,0,0,0,0|0,0,0]=2 90 B14R0.337 COC(=O)CCCCCCCCCCBr M157817 [1,1,0,0,0,0|0,0,0]=2 91 B14R0.145 CCCCCCCC(CCCCCC)O T161465 [1,1,0,0,0,0|1,0,1]=4 92 B14R0.392 CCCCCCCCCCCCCCBr B104787 [1,1,0,0,0,0|1,0,1]=4 93 B14R0.392 CCCCCCCCCCCCCCC P103401 [1,1,0,0,0,0|1,0,1]=4 94 B14R0.392 CCCCCCCCCCCCCCC P103402 [1,1,0,0,0,0|1,0,1]=4 95 B14R0.392 CCCCCCCCCCCCCCC P103403 [1,1,0,0,0,0|1,0,1]=4 96 B14R0.392 CCCCCCCCCCCCCCC P103404 [1,1,0,0,0,0|1,0,1]=4 97 B14R0.392 CCCCCCCCCCCCCCCl C106526 [1,1,0,0,0,0|1,0,1]=4 98 B14R0.392 CCCCCCCCCCCCCCN T106568 [1,1,0,0,0,0|1,0,1]=4 99 B14R0.392 CCCCCCCCCCCCCCO T110404 [1,1,0,0,0,0|1,0,1]=4 100 B14R0.392 CCCCCCCCCCCCCCO T110406 [1,1,0,0,0,0|1,0,1]=4 101 B14R0.392 CCCCCCCCCCCCCCO T283923 [1,1,0,0,0,0|1,0,1]=4 102 B14R0.392 CCCCCCCCCCCCCCO T305775 [1,1,0,0,0,0|1,0,1]=4 103 B14R0.392 CCCCCCCCCCCCCCS T162499 [1,1,0,0,0,0|1,0,1]=4 104 B14R0.392 CCCCCCCCCCCCCC[CH2-] P140792 [1,1,0,0,0,0|1,0,1]=4 105 B14R0.392 CCCCCCCOCCCCCCC H157302 [1,1,0,0,0,0|1,0,1]=4 106 B14R0.392 CCCCCCCSCCCCCCC H157106 [1,1,0,0,0,0|1,0,1]=4 107 B14R0.394 CCCCCCCCCCCCC(C)O T161458 [1,1,0,0,0,0|1,0,1]=4 108 B16R0.302 CCCCCCCCCCCC(=O)OC(C)C I165508 [0,2,0,0,0,0|0,0,0]=2 109 B16R0.1193 CC(C)(C)OC(=O)CCCCCCCCCBr T587555 [0,2,0,0,0,0|1,0,0]=3 110 B16R0.1193 CC(C)(C)OC(=O)NCCCCCCCCN T590568 [0,2,0,0,0,0|2,0,0]=4 111 B16R0.61 CCCCCCCCCCCCC(=O)OCC E156257 [0,2,0,0,0,0|0,0,0]=2 112 B16R0.97 CCOC(=O)CCCCCCCC(=O)OCC D304183 [0,2,0,0,0,0|0,0,1]=3 113 B16R0.661 CCCCCCCCCCCC(=O)NCCO N190895 [0,2,0,0,0,0|1,0,0]=3 114 B16R0.661 CCCCCCCCCCCC(=O)OCCC P193021 [0,2,0,0,0,0|0,0,0]=2 115 B16R0.661 CCCCCCCCCCCC(=O)OCCCl C153320 [0,2,0,0,0,0|0,0,0]=2 116 B16R0.661 CCCCCCCCCCCC(=O)OCCO P134776 [0,2,0,0,0,0|0,0,0]=2 117 B16R0.68 CCCCOC(=O)CCCCCCCCC=C B165890 [0,2,0,0,0,0|0,0,2]=4 118 B14R1.26 CCCCCCCC1CCCC(=O)O1 D107525 [1,0,0,1,0,0|2,0,0]=4 119 B14R1.216 CCCCCCCCN1CCCC1=O O107285 [1,0,0,1,0,0|2,0,0]=4 120 B14R1.4408 C1CCCCCC(=O)NCCCCC1 O159931 [1,0,0,1,0,0|1,0,0]=3 121 B14R1.14 CCCCCCCC1CCC(=O)CC1 H301533 [1,0,0,1,0,0|0,0,0]=2 122 B14R1.122 CCCCCCCCC1CCC(=O)O1 D101441 [1,0,0,1,0,0|1,0,0]=3 123 B14R1.122 CCCCCCCCC1CCC(=O)O1 D101442 [1,0,0,1,0,0|1,0,0]=3 124 B14R1.123 CCCCCCCCC1CCCCC1 N159204 [1,0,0,1,0,0|1,0,1]=4 125 B16R1.7605 CCCCCCCC(=O)NC1CCOC1=O N464432 [0,1,0,1,0,0|1,0,1]=4 126 B16R1.7605 CCCCCCCC(=O)NC1CCOC1=O O275948 [0,1,0,1,0,0|1,0,1]=4 127 B16R1.27 CCCCCCCCCC1CCCC(=O)O1 D155355 [0,1,0,1,0,0|1,0,0]=3 128 B16R1.8816 C1CCCCCCCC(=O)CCCCCC1 C153857 [0,1,0,1,0,0|1,0,0]=3 129 B16R1.14964 CCOC(=O)C1CCCCC1C(=O)OCC D154138 [0,1,0,1,0,0|1,0,1]=4