0 B14R0.394 CC(C)CCCCCCCCCCC=O M358600 [0,0,0,0,0,0|0,0,0]=0 1 B14R0.394 CCCCCCCCCCCCC(=O)C T162161 [0,0,0,0,0,0|2,0,2]=4 2 B14R0.394 CCCCCCCCCCCCC(C)O T161458 [0,0,0,0,0,0|2,0,1]=3 3 B14R0.394 CCCCCCCCCCCCN(C)C N159397 [0,0,0,0,0,0|2,0,1]=3 4 B14R0.394 CCCCCCCCCCCCS(=O)C D135442 [0,0,0,0,0,0|3,0,1]=4 5 B13R0.54 CC(C)CCCCCCCOCCO P304168 [1,0,0,0,0,0|1,0,1]=3 6 B13R0.54 CCCCCCCCCCCC(=O)C T106563 [1,0,0,0,0,0|1,0,2]=4 7 B13R0.54 CCCCCCCCCCCC(C)O T161459 [1,0,0,0,0,0|1,0,1]=3 8 B13R0.336 C(CCCCCCBr)CCCCCBr D113565 [1,0,0,0,0,0|2,0,1]=4 9 B13R0.336 C(CCCCCCBr)CCCCCO B151814 [1,0,0,0,0,0|1,0,2]=4 10 B13R0.336 C(CCCCCCN)CCCCCN D106441 [1,0,0,0,0,0|2,0,1]=4 11 B13R0.336 C(CCCCCCO)CCCCCO D135990 [1,0,0,0,0,0|1,0,2]=4 12 B13R0.336 CCCCCCCCCCCCC#C T162707 [1,0,0,0,0,0|1,0,1]=3 13 B13R0.336 CCCCCCCCCCCCC#C T573192 [1,0,0,0,0,0|1,0,1]=3 14 B13R0.336 CCCCCCCCCCCCC#N T161600 [1,0,0,0,0,0|1,0,1]=3 15 B13R0.336 CCCCCCCCCCCCC=C T103623 [1,0,0,0,0,0|1,0,0]=2 16 B13R0.336 CCCCCCCCCCCCC=C T103624 [1,0,0,0,0,0|1,0,0]=2 17 B13R0.336 CCCCCCCCCCCCCBr B152586 [1,0,0,0,0,0|1,0,1]=3 18 B13R0.336 CCCCCCCCCCCCCC N302729 [1,0,0,0,0,0|1,0,1]=3 19 B13R0.336 CCCCCCCCCCCCCC T100022 [1,0,0,0,0,0|1,0,1]=3 20 B13R0.336 CCCCCCCCCCCCCC T100023 [1,0,0,0,0,0|1,0,1]=3 21 B13R0.336 CCCCCCCCCCCCCC T100024 [1,0,0,0,0,0|1,0,1]=3 22 B13R0.336 CCCCCCCCCCCCCC T100025 [1,0,0,0,0,0|1,0,1]=3 23 B13R0.336 CCCCCCCCCCCCCCl C153588 [1,0,0,0,0,0|1,0,1]=3 24 B13R0.336 CCCCCCCCCCCCCN A151434 [1,0,0,0,0,0|1,0,1]=3 25 B13R0.336 CCCCCCCCCCCCCO T105003 [1,0,0,0,0,0|0,0,2]=3 26 B13R0.336 CCCCCCCCCCCCCO T350530 [1,0,0,0,0,0|0,0,2]=3 27 B13R0.336 CCCCCCCCCCCCNC N339197 [1,0,0,0,0,0|2,0,0]=3 28 B13R0.336 CCCCCCCCCCCCSC D103106 [1,0,0,0,0,0|2,0,0]=3 29 B15R0.81 CCCCCCCCCCCCC(CO)O T103132 [0,1,0,0,0,0|2,0,1]=4 30 B15R0.222 C(CCCCCC(=O)Cl)CCCCC(=O)Cl D154502 [0,1,0,0,0,0|2,0,1]=4 31 B15R0.222 C(CCCCCC(=O)O)CCCCC(=O)O A304102 [0,1,0,0,0,0|2,0,1]=4 32 B15R0.222 C(CCCCCC(=O)O)CCCCC(=O)O D109484 [0,1,0,0,0,0|2,0,1]=4 33 B15R0.222 CC(C)CCCCCCCCCCC(=O)O M333691 [0,1,0,0,0,0|0,0,0]=1 34 B15R0.222 CN(C)CCCCCCCCCCN(C)C N339316 [0,1,0,0,0,0|3,0,0]=4 35 B15R0.252 CCCCCCCCCCCC[N+](C)(C)C D105295 [0,1,0,0,0,0|2,0,1]=4 36 B15R0.252 CCCCCCCCCCCC[N+](C)(C)C D105297 [0,1,0,0,0,0|2,0,1]=4 37 B15R0.252 CCCCCCCCCCCC[N+](C)(C)C D105301 [0,1,0,0,0,0|2,0,1]=4 38 B15R0.252 CCCCCCCCCCCC[N+](C)(C)C D351326 [0,1,0,0,0,0|2,0,1]=4 39 B15R0.252 CCCCCCCCCCCC[N+](C)(C)[O-] D106281 [0,1,0,0,0,0|2,0,1]=4 40 B15R0.252 CCCCCCCCCCCC[N+](C)(C)[O-] D196319 [0,1,0,0,0,0|2,0,1]=4 41 B15R0.252 CCCCCCCCCCCC[Si](C)(C)Cl C153513 [0,1,0,0,0,0|1,1,1]=4 42 B15R1.9199 CCCCCCCCCCCCC1CO1 E156383 [0,0,0,1,0,0|2,0,1]=4 43 B12R0.5 C(CCCCCBr)CCCCCBr D138351 [2,0,0,0,0,0|2,0,0]=4 44 B12R0.5 C(CCCCCO)CCCCCBr B102369 [2,0,0,0,0,0|1,0,1]=4 45 B12R0.5 C(CCCCCO)CCCCCO U186484 [2,0,0,0,0,0|1,0,1]=4 46 B12R0.5 C(CCCCCO)CCCCCS W136857 [2,0,0,0,0,0|1,0,1]=4 47 B12R0.5 CCCCCCCCCC=CC=O T162346 [2,0,0,0,0,0|0,0,2]=4 48 B12R0.5 CCCCCCCCCCCC#C T332514 [2,0,0,0,0,0|0,0,2]=4 49 B12R0.5 CCCCCCCCCCCC#N D101445 [2,0,0,0,0,0|1,0,1]=4 50 B12R0.5 CCCCCCCCCCCC=C T162364 [2,0,0,0,0,0|0,0,1]=3 51 B12R0.5 CCCCCCCCCCCC=C T162510 [2,0,0,0,0,0|0,0,1]=3 52 B12R0.5 CCCCCCCCCCCC=O L105454 [2,0,0,0,0,0|0,0,0]=2 53 B12R0.5 CCCCCCCCCCCCBr B105789 [2,0,0,0,0,0|1,0,0]=3 54 B12R0.5 CCCCCCCCCCCCC T108177 [2,0,0,0,0,0|0,0,1]=3 55 B12R0.5 CCCCCCCCCCCCC T108178 [2,0,0,0,0,0|0,0,1]=3 56 B12R0.5 CCCCCCCCCCCCC T108179 [2,0,0,0,0,0|0,0,1]=3 57 B12R0.5 CCCCCCCCCCCCC T108180 [2,0,0,0,0,0|0,0,1]=3 58 B12R0.5 CCCCCCCCCCCCCl C110969 [2,0,0,0,0,0|1,0,0]=3 59 B12R0.5 CCCCCCCCCCCCF F169659 [2,0,0,0,0,0|1,0,0]=3 60 B12R0.5 CCCCCCCCCCCCI I157556 [2,0,0,0,0,0|1,0,0]=3 61 B12R0.5 CCCCCCCCCCCCN D113938 [2,0,0,0,0,0|1,0,0]=3 62 B12R0.5 CCCCCCCCCCCCN D113939 [2,0,0,0,0,0|1,0,0]=3 63 B12R0.5 CCCCCCCCCCCCN D154685 [2,0,0,0,0,0|1,0,0]=3 64 B12R0.5 CCCCCCCCCCCCN D154916 [2,0,0,0,0,0|1,0,0]=3 65 B12R0.5 CCCCCCCCCCCCN D292887 [2,0,0,0,0,0|1,0,0]=3 66 B12R0.5 CCCCCCCCCCCCN D292896 [2,0,0,0,0,0|1,0,0]=3 67 B12R0.5 CCCCCCCCCCCCO D112297 [2,0,0,0,0,0|0,0,1]=3 68 B12R0.5 CCCCCCCCCCCCO D112298 [2,0,0,0,0,0|0,0,1]=3 69 B12R0.5 CCCCCCCCCCCCO D112299 [2,0,0,0,0,0|0,0,1]=3 70 B12R0.5 CCCCCCCCCCCCO D431501 [2,0,0,0,0,0|0,0,1]=3 71 B12R0.5 CCCCCCCCCCCCS D105610 [2,0,0,0,0,0|0,1,0]=3 72 B12R0.5 CCCCCCNCCCCCC D105361 [2,0,0,0,0,0|1,0,1]=4 73 B12R0.5 CCCCCCSCCCCCC H157107 [2,0,0,0,0,0|1,0,1]=4 74 B12R0.234 CCCCCCCCCCC(=O)C D154643 [2,0,0,0,0,0|1,0,1]=4 75 B12R0.234 CCCCCCCCCCC(C)O D154178 [2,0,0,0,0,0|1,0,0]=3 76 B12R0.234 CCCCCCCCCCN(C)C N159296 [2,0,0,0,0,0|1,0,0]=3 77 B14R0.68 CC(C)CCCCCCCCCC(=O)O M352372 [1,1,0,0,0,0|0,0,0]=2 78 B14R0.145 CCCCCCCC(CCCCCC)O T161465 [1,1,0,0,0,0|1,0,1]=4 79 B14R0.392 C(CCCCCCO)CCCCCCO T190597 [1,1,0,0,0,0|0,0,2]=4 80 B14R0.392 CCCCCCCCCCCCCC=C P160605 [1,1,0,0,0,0|1,0,0]=3 81 B14R0.392 CCCCCCCCCCCCCC=C P160606 [1,1,0,0,0,0|1,0,0]=3 82 B14R0.392 CCCCCCCCCCCCCC=O T162342 [1,1,0,0,0,0|0,0,0]=2 83 B14R0.392 CCCCCCCCCCCCCCBr B104787 [1,1,0,0,0,0|1,0,1]=4 84 B14R0.392 CCCCCCCCCCCCCCC P103401 [1,1,0,0,0,0|1,0,1]=4 85 B14R0.392 CCCCCCCCCCCCCCC P103402 [1,1,0,0,0,0|1,0,1]=4 86 B14R0.392 CCCCCCCCCCCCCCC P103403 [1,1,0,0,0,0|1,0,1]=4 87 B14R0.392 CCCCCCCCCCCCCCC P103404 [1,1,0,0,0,0|1,0,1]=4 88 B14R0.392 CCCCCCCCCCCCCCCl C106526 [1,1,0,0,0,0|1,0,1]=4 89 B14R0.392 CCCCCCCCCCCCCCN T106568 [1,1,0,0,0,0|1,0,1]=4 90 B14R0.392 CCCCCCCCCCCCCCO T110404 [1,1,0,0,0,0|0,0,2]=4 91 B14R0.392 CCCCCCCCCCCCCCO T110406 [1,1,0,0,0,0|0,0,2]=4 92 B14R0.392 CCCCCCCCCCCCCCO T283923 [1,1,0,0,0,0|0,0,2]=4 93 B14R0.392 CCCCCCCCCCCCCCO T305775 [1,1,0,0,0,0|0,0,2]=4 94 B14R0.392 CCCCCCCCCCCCCCS T162499 [1,1,0,0,0,0|0,1,1]=4 95 B14R0.392 CCCCCCCCCCCCCC[CH2-] P140792 [1,1,0,0,0,0|1,0,1]=4 96 B14R0.392 CCCCCCCCCCCCN=C=S D299759 [1,1,0,0,0,0|0,1,1]=4 97 B14R0.392 CCCCCCCCCCCCOC=C D472619 [1,1,0,0,0,0|1,0,0]=3 98 B14R0.392 CCCCCCCOCCCCCCC H157302 [1,1,0,0,0,0|1,0,1]=4 99 B14R0.392 CCCCCCCSCCCCCCC H157106 [1,1,0,0,0,0|1,0,1]=4 100 B16R0.165 COC(=O)CCCCCCCCCCC(=O)O D350526 [0,2,0,0,0,0|1,0,1]=4 101 B16R0.1188 CCCCCCCCCCCCCC(C)(C)S T162370 [0,2,0,0,0,0|1,0,1]=4 102 B14R1.123 CCCCCCCCC1CCCCC1 N159204 [1,0,0,1,0,0|1,0,1]=4 103 B14R1.216 CCCCCCCCN1CCCC1=O O107285 [1,0,0,1,0,0|1,0,0]=3