0 B12R0.234 C#CCCCCCCCCC(=O)O U162912 [0,0,0,0,0,0|0,0,2]=2 1 B12R0.234 C(CCCC=CC(=O)O)CCCO H140068 [0,0,0,0,0,0|1,0,2]=3 2 B12R0.234 C(CCCCC(=O)O)CCCCBr C118560 [0,0,0,0,0,0|1,0,0]=1 3 B12R0.234 C(CCCCC(=O)O)CCCCO H115187 [0,0,0,0,0,0|1,0,0]=1 4 B12R0.234 C=CCCCCCCCCC(=O)Cl U101250 [0,0,0,0,0,0|1,0,2]=3 5 B12R0.234 C=CCCCCCCCCC(=O)O U106483 [0,0,0,0,0,0|0,0,2]=2 6 B12R0.234 C=CCCCCCCCCC(=O)O U106484 [0,0,0,0,0,0|0,0,2]=2 7 B12R0.234 C=CCCCCCCCCC(=O)[O-] U339578 [0,0,0,0,0,0|0,0,3]=3 8 B12R0.234 C=CCCCCCCCCC(=O)[O-] Z303980 [0,0,0,0,0,0|0,0,3]=3 9 B12R0.234 CC(=O)NCCCNCCCCN N588802 [0,0,0,0,0,0|4,0,0]=4 10 B12R0.234 CCC=CCCCCCOC(=O)C C153412 [0,0,0,0,0,0|2,0,2]=4 11 B12R0.234 CCCCCCCCC=CC(=O)O U303689 [0,0,0,0,0,0|0,0,2]=2 12 B12R0.234 CCCCCCCCCCC(=O)C D154643 [0,0,0,0,0,0|1,0,0]=1 13 B12R0.234 CCCCCCCCCCC(=O)Cl U101147 [0,0,0,0,0,0|1,0,0]=1 14 B12R0.234 CCCCCCCCCCC(=O)O U109481 [0,0,0,0,0,0|0,0,0]=0 15 B12R0.234 CCCCCCCCCCC(=O)O U109482 [0,0,0,0,0,0|0,0,0]=0 16 B12R0.234 CCCCCCCCCCC(=O)O U109483 [0,0,0,0,0,0|0,0,0]=0 17 B12R0.234 CCCCCCCCCCC(=O)O U420645 [0,0,0,0,0,0|0,0,0]=0 18 B12R0.234 CCCCCCCCCCC(C)O D154178 [0,0,0,0,0,0|1,0,1]=2 19 B12R0.234 CCCCCCCCCCN(C)C N159296 [0,0,0,0,0,0|3,0,0]=3 20 B12R0.234 CCCCCCCCCOC(=O)C N158996 [0,0,0,0,0,0|2,0,0]=2 21 B12R0.234 CCCCCCCCCOC(=O)Cl N158931 [0,0,0,0,0,0|2,0,0]=2 22 B11R0.3 C#CCCCCCCCCCO U162927 [1,0,0,0,0,0|0,0,3]=4 23 B11R0.3 C(CCCCCBr)CCCCBr D103590 [1,0,0,0,0,0|2,0,1]=4 24 B11R0.3 C(CCCCCBr)CCCCO B121838 [1,0,0,0,0,0|1,0,1]=3 25 B11R0.3 C(CCCCCCl)CCCCCl D155237 [1,0,0,0,0,0|2,0,1]=4 26 B11R0.3 C(CCCCCI)CCCCI D155238 [1,0,0,0,0,0|2,0,1]=4 27 B11R0.3 C(CCCCCN)CCCCN D100615 [1,0,0,0,0,0|2,0,1]=4 28 B11R0.3 C(CCCCCN)CCCCN D292756 [1,0,0,0,0,0|2,0,1]=4 29 B11R0.3 C(CCCCCO)CCCCN A135376 [1,0,0,0,0,0|1,0,1]=3 30 B11R0.3 C(CCCCCO)CCCCO D107052 [1,0,0,0,0,0|1,0,1]=3 31 B11R0.3 C(CCCCCS)CCCCS D102334 [1,0,0,0,0,0|1,1,1]=4 32 B11R0.3 C=CCCCCCCCCC=C D155636 [1,0,0,0,0,0|1,0,2]=4 33 B11R0.3 C=CCCCCCCCCC=O U114506 [1,0,0,0,0,0|0,0,2]=3 34 B11R0.3 C=CCCCCCCCCCBr B151980 [1,0,0,0,0,0|2,0,0]=3 35 B11R0.3 C=CCCCCCCCCCCl C469792 [1,0,0,0,0,0|2,0,0]=3 36 B11R0.3 C=CCCCCCCCCCO U106482 [1,0,0,0,0,0|2,0,0]=3 37 B11R0.3 CCCCCCCCC=CC=O T162343 [1,0,0,0,0,0|0,0,2]=3 38 B11R0.3 CCCCCCCCCCC#C D155789 [1,0,0,0,0,0|1,0,1]=3 39 B11R0.3 CCCCCCCCCCC#N U162919 [1,0,0,0,0,0|1,0,1]=3 40 B11R0.3 CCCCCCCCCCC=C D106547 [1,0,0,0,0,0|1,0,0]=2 41 B11R0.3 CCCCCCCCCCC=C D106548 [1,0,0,0,0,0|1,0,0]=2 42 B11R0.3 CCCCCCCCCCC=O U105593 [1,0,0,0,0,0|0,0,0]=1 43 B11R0.3 CCCCCCCCCCCBr B152912 [1,0,0,0,0,0|1,0,1]=3 44 B11R0.3 CCCCCCCCCCCC D100105 [1,0,0,0,0,0|1,0,1]=3 45 B11R0.3 CCCCCCCCCCCC D100106 [1,0,0,0,0,0|1,0,1]=3 46 B11R0.3 CCCCCCCCCCCC D108175 [1,0,0,0,0,0|1,0,1]=3 47 B11R0.3 CCCCCCCCCCCC D108176 [1,0,0,0,0,0|1,0,1]=3 48 B11R0.3 CCCCCCCCCCCC D119697 [1,0,0,0,0,0|1,0,1]=3 49 B11R0.3 CCCCCCCCCCCC D195936 [1,0,0,0,0,0|1,0,1]=3 50 B11R0.3 CCCCCCCCCCCC D471947 [1,0,0,0,0,0|1,0,1]=3 51 B11R0.3 CCCCCCCCCCCCl C153589 [1,0,0,0,0,0|1,0,1]=3 52 B11R0.3 CCCCCCCCCCCI I170320 [1,0,0,0,0,0|1,0,1]=3 53 B11R0.3 CCCCCCCCCCCO U102901 [1,0,0,0,0,0|0,0,1]=2 54 B11R0.3 CCCCCCCCCCCO U102902 [1,0,0,0,0,0|0,0,1]=2 55 B11R0.3 CCCCCCCCCCCO U420650 [1,0,0,0,0,0|0,0,1]=2 56 B11R0.3 CCCCCCCCOCCO N339710 [1,0,0,0,0,0|1,0,1]=3 57 B11R0.148 C(CCCCBr)CCCC(=O)O B123554 [1,0,0,0,0,0|1,0,0]=2 58 B11R0.148 C(CCCCN)CCCC(=O)O A586392 [1,0,0,0,0,0|1,0,0]=2 59 B11R0.148 C(CCCCO)CCCC(=O)O C133682 [1,0,0,0,0,0|1,0,0]=2 60 B11R0.148 C(COCCOCCBr)C(=O)O B339978 [1,0,0,0,0,0|3,0,0]=4 61 B11R0.148 C(COCCOCCN)C(=O)O A122168 [1,0,0,0,0,0|3,0,0]=4 62 B11R0.148 C=CCCCCCCCC(=O)O D155291 [1,0,0,0,0,0|0,0,2]=3 63 B11R0.148 CCCCCC=CCCC(=O)O D303268 [1,0,0,0,0,0|0,0,2]=3 64 B11R0.148 CCCCCCCC=CC(=O)O D303461 [1,0,0,0,0,0|0,0,2]=3 65 B11R0.148 CCCCCCCCCC(=O)C U109753 [1,0,0,0,0,0|1,0,0]=2 66 B11R0.148 CCCCCCCCCC(=O)C U109754 [1,0,0,0,0,0|1,0,0]=2 67 B11R0.148 CCCCCCCCCC(=O)C U109755 [1,0,0,0,0,0|1,0,0]=2 68 B11R0.148 CCCCCCCCCC(=O)Cl D101725 [1,0,0,0,0,0|1,0,0]=2 69 B11R0.148 CCCCCCCCCC(=O)O D109189 [1,0,0,0,0,0|0,0,0]=1 70 B11R0.148 CCCCCCCCCC(=O)O D109191 [1,0,0,0,0,0|0,0,0]=1 71 B11R0.148 CCCCCCCCCC(=O)O D109192 [1,0,0,0,0,0|0,0,0]=1 72 B11R0.148 CCCCCCCCCC(=O)O D109193 [1,0,0,0,0,0|0,0,0]=1 73 B11R0.148 CCCCCCCCCC(=O)O D423444 [1,0,0,0,0,0|0,0,0]=1 74 B11R0.148 CCCCCCCCCC(=O)[O-] S161316 [1,0,0,0,0,0|0,0,1]=2 75 B11R0.148 CCCCCCCCCC(C)C I347910 [1,0,0,0,0,0|2,0,1]=4 76 B11R0.148 CCCCCCCCCC(C)C M158517 [1,0,0,0,0,0|2,0,1]=4 77 B11R0.148 CCCCCCCCCC(C)O U162921 [1,0,0,0,0,0|1,0,1]=3 78 B11R0.148 CCCCCCCCCC(C)O U418605 [1,0,0,0,0,0|1,0,1]=3 79 B11R0.148 CCCCCCCCOC(=O)C O102935 [1,0,0,0,0,0|2,0,0]=3 80 B11R0.148 CCCCCCCCOC(=O)Cl N158924 [1,0,0,0,0,0|2,0,0]=3 81 B11R0.148 CCCCOCCOCC(=O)O B483984 [1,0,0,0,0,0|2,0,0]=3 82 B11R0.148 COCCOCCOCC(=O)O M158391 [1,0,0,0,0,0|3,0,0]=4 83 B11R0.148 COCCOCCOCC(=O)O M406724 [1,0,0,0,0,0|3,0,0]=4 84 B13R0.54 C(CCCCCBr)CCCCC(=O)N B469405 [0,1,0,0,0,0|1,0,0]=2 85 B13R0.54 C(CCCCCBr)CCCCC(=O)O B102365 [0,1,0,0,0,0|0,0,0]=1 86 B13R0.54 C(CCCCCN)CCCCC(=O)O A104473 [0,1,0,0,0,0|0,0,0]=1 87 B13R0.54 C(CCCCCN)CCCCC(=O)O N303201 [0,1,0,0,0,0|0,0,0]=1 88 B13R0.54 C(CCCCCO)CCCCC(=O)O H468146 [0,1,0,0,0,0|0,0,0]=1 89 B13R0.54 C(CCCCCS)CCCCC(=O)O W137684 [0,1,0,0,0,0|0,0,0]=1 90 B13R0.54 CCCCCCCCCC=CC(=O)O D303442 [0,1,0,0,0,0|0,0,1]=2 91 B13R0.54 CCCCCCCCCCCC(=O)C T106563 [0,1,0,0,0,0|1,0,0]=2 92 B13R0.54 CCCCCCCCCCCC(=O)Cl D109417 [0,1,0,0,0,0|1,0,0]=2 93 B13R0.54 CCCCCCCCCCCC(=O)N L157748 [0,1,0,0,0,0|1,0,0]=2 94 B13R0.54 CCCCCCCCCCCC(=O)O L110736 [0,1,0,0,0,0|0,0,0]=1 95 B13R0.54 CCCCCCCCCCCC(=O)O L110737 [0,1,0,0,0,0|0,0,0]=1 96 B13R0.54 CCCCCCCCCCCC(=O)O L110739 [0,1,0,0,0,0|0,0,0]=1 97 B13R0.54 CCCCCCCCCCCC(=O)O L119549 [0,1,0,0,0,0|0,0,0]=1 98 B13R0.54 CCCCCCCCCCCC(=O)O L305740 [0,1,0,0,0,0|0,0,0]=1 99 B13R0.54 CCCCCCCCCCCC(=O)O L421590 [0,1,0,0,0,0|0,0,0]=1 100 B13R0.54 CCCCCCCCCCCC(=O)O L432090 [0,1,0,0,0,0|0,0,0]=1 101 B13R0.54 CCCCCCCCCCCC(=O)O L464644 [0,1,0,0,0,0|0,0,0]=1 102 B13R0.54 CCCCCCCCCCCC(=O)[O-] S103038 [0,1,0,0,0,0|0,0,1]=2 103 B13R0.54 CCCCCCCCCCCC(C)O T161459 [0,1,0,0,0,0|1,0,1]=3 104 B13R0.54 CCCCCCCCCCOC(=O)C D110165 [0,1,0,0,0,0|1,0,0]=2 105 B13R0.54 CCCCCCCCCCOC(=O)Cl D154508 [0,1,0,0,0,0|1,0,0]=2 106 B13R0.54 CCCCOCCOCCOC(=O)C D106067 [0,1,0,0,0,0|3,0,0]=4 107 B13R0.88 CCOC(=O)CCCCCCC(=O)O E330642 [0,1,0,0,0,0|1,0,1]=3 108 B13R0.147 CCCCCCCCCCC(=O)OC M111296 [0,1,0,0,0,0|0,0,0]=1 109 B13R0.147 CCCCCCCCCCC(=O)OC M111297 [0,1,0,0,0,0|0,0,0]=1 110 B13R0.147 CCCCCCCCCCC(CO)O D156002 [0,1,0,0,0,0|0,0,2]=3 111 B13R0.147 COC(=O)CCCCCCCCC=C M128778 [0,1,0,0,0,0|0,0,2]=3 112 B13R0.147 COC(=O)CCCCCCCCC=O M158151 [0,1,0,0,0,0|1,0,1]=3 113 B13R0.147 COC(=O)CCCCCCCCCBr M334229 [0,1,0,0,0,0|1,0,0]=2 114 B13R0.147 COC(=O)CCCCCCCCCBr M466962 [0,1,0,0,0,0|1,0,0]=2 115 B13R0.154 CCCCCCCC(=O)NCC(=O)O C181472 [0,1,0,0,0,0|1,0,1]=3 116 B13R0.179 C(CCCCC(=O)Cl)CCCC(=O)Cl S161377 [0,1,0,0,0,0|2,0,1]=4 117 B13R0.179 C(CCCCC(=O)O)CCCC(=O)O N304903 [0,1,0,0,0,0|1,0,1]=3 118 B13R0.179 C(CCCCC(=O)O)CCCC(=O)O S108452 [0,1,0,0,0,0|1,0,1]=3 119 B13R0.179 C(CCCCC(=O)O)CCCC(=O)O S108453 [0,1,0,0,0,0|1,0,1]=3 120 B13R0.179 C(CCCCC(=O)O)CCCC(=O)O S420619 [0,1,0,0,0,0|1,0,1]=3 121 B13R0.179 C(CCCCC(=O)[O-])CCCC(=O)[O-] A109085 [0,1,0,0,0,0|1,0,2]=4 122 B13R0.179 C(CCCCC(=O)[O-])CCCC(=O)[O-] D154285 [0,1,0,0,0,0|1,0,2]=4 123 B13R0.202 COC(=O)CCCCCCCC(=O)O M158698 [0,1,0,0,0,0|1,0,1]=3 124 B13R0.280 CCCCCCCCCCP(=O)(O)O D156014 [0,1,0,0,0,0|1,0,0]=2 125 B13R0.280 CCCCCCCCCCS(=O)(=O)[O-] S100284 [0,1,0,0,0,0|1,0,1]=3 126 B13R0.280 CCCCCCCCCCS(=O)(=O)[O-] S100285 [0,1,0,0,0,0|1,0,1]=3 127 B13R0.280 CCCCCCCCCC[N+](C)(C)C D108987 [0,1,0,0,0,0|3,0,0]=4 128 B13R0.280 CCCCCCCCCC[N+](C)(C)C D111746 [0,1,0,0,0,0|3,0,0]=4 129 B13R0.280 CCCCCCCCCC[N+](C)(C)[O-] D129131 [0,1,0,0,0,0|2,0,1]=4 130 B13R0.280 CCCCCCCCCC[Si](C)(C)Cl C153512 [0,1,0,0,0,0|2,1,0]=4 131 B13R0.280 CCCCCCCCCC[Si](C)(Cl)Cl D154196 [0,1,0,0,0,0|2,1,0]=4 132 B13R0.280 CCCCCCCCCC[Si](Cl)(Cl)Cl D155721 [0,1,0,0,0,0|2,1,0]=4 133 B13R1.6 CCCCCCC1CCCC(=O)O1 U114508 [0,0,0,1,0,0|0,0,0]=1 134 B13R1.27 CCCCCCCC1CCC(=O)O1 U109751 [0,0,0,1,0,0|0,0,0]=1 135 B13R1.27 CCCCCCCC1CCC(=O)O1 U109752 [0,0,0,1,0,0|0,0,0]=1 136 B13R1.279 C1CCCCCC(=O)CCCCC1 C100844 [0,0,0,1,0,0|1,0,0]=2 137 B13R1.279 C1CCCCCC(CCCCC1)N C153716 [0,0,0,1,0,0|2,0,1]=4 138 B13R1.279 C1CCCCCC(CCCCC1)O C154108 [0,0,0,1,0,0|1,0,1]=3 139 B13R1.337 C1CCC(CC1)CCCCC(=O)O C472526 [0,0,0,1,0,0|0,0,0]=1 140 B13R1.659 CCCCCCCCCCC1CO1 E106985 [0,0,0,1,0,0|1,0,1]=3 141 B10R0.71 C#CCCCCCCCCO D154352 [2,0,0,0,0,0|0,0,2]=4 142 B10R0.71 C(CCCCBr)CCCCBr D122540 [2,0,0,0,0,0|2,0,0]=4 143 B10R0.71 C(CCCCCl)CCCCCl D404188 [2,0,0,0,0,0|2,0,0]=4 144 B10R0.71 C(CCCCN)CCCCN D185781 [2,0,0,0,0,0|2,0,0]=4 145 B10R0.71 C(CCCCO)CCCCBr B124493 [2,0,0,0,0,0|1,0,0]=3 146 B10R0.71 C(CCCCO)CCCCCl C589319 [2,0,0,0,0,0|1,0,0]=3 147 B10R0.71 C(CCCCO)CCCCO N133834 [2,0,0,0,0,0|1,0,0]=3 148 B10R0.71 C(CCCCS)CCCCS N102333 [2,0,0,0,0,0|1,1,0]=4 149 B10R0.71 C=CCCCCCCCCBr B133959 [2,0,0,0,0,0|1,0,1]=4 150 B10R0.71 C=CCCCCCCCCO D155265 [2,0,0,0,0,0|0,0,2]=4 151 B10R0.71 CCCCC=CCCCCO T161773 [2,0,0,0,0,0|0,0,2]=4 152 B10R0.71 CCCCCC=CCCCO C153573 [2,0,0,0,0,0|0,0,2]=4 153 B10R0.71 CCCCCCCC#CCO D155777 [2,0,0,0,0,0|0,0,2]=4 154 B10R0.71 CCCCCCCC=CC=O D117855 [2,0,0,0,0,0|0,0,2]=4 155 B10R0.71 CCCCCCCCCC#N D154472 [2,0,0,0,0,0|1,0,1]=4 156 B10R0.71 CCCCCCCCCC=C U162898 [2,0,0,0,0,0|0,0,1]=3 157 B10R0.71 CCCCCCCCCC=C U162902 [2,0,0,0,0,0|0,0,1]=3 158 B10R0.71 CCCCCCCCCC=C U162903 [2,0,0,0,0,0|0,0,1]=3 159 B10R0.71 CCCCCCCCCC=O D105551 [2,0,0,0,0,0|0,0,0]=2 160 B10R0.71 CCCCCCCCCCBr B105788 [2,0,0,0,0,0|1,0,0]=3 161 B10R0.71 CCCCCCCCCCC N431487 [2,0,0,0,0,0|0,0,1]=3 162 B10R0.71 CCCCCCCCCCC U108239 [2,0,0,0,0,0|0,0,1]=3 163 B10R0.71 CCCCCCCCCCC U108240 [2,0,0,0,0,0|0,0,1]=3 164 B10R0.71 CCCCCCCCCCC U108241 [2,0,0,0,0,0|0,0,1]=3 165 B10R0.71 CCCCCCCCCCC U110889 [2,0,0,0,0,0|0,0,1]=3 166 B10R0.71 CCCCCCCCCCCl C104797 [2,0,0,0,0,0|1,0,0]=3 167 B10R0.71 CCCCCCCCCCI I157555 [2,0,0,0,0,0|1,0,0]=3 168 B10R0.71 CCCCCCCCCCN D107311 [2,0,0,0,0,0|1,0,0]=3 169 B10R0.71 CCCCCCCCCCN D292748 [2,0,0,0,0,0|1,0,0]=3 170 B10R0.71 CCCCCCCCCCN D492584 [2,0,0,0,0,0|1,0,0]=3 171 B10R0.71 CCCCCCCCCCO D103414 [2,0,0,0,0,0|0,0,0]=2 172 B10R0.71 CCCCCCCCCCO D103415 [2,0,0,0,0,0|0,0,0]=2 173 B10R0.71 CCCCCCCCCCS D102323 [2,0,0,0,0,0|0,1,0]=3 174 B10R0.71 CCCCCCCCN=C=O O120151 [2,0,0,0,0,0|1,0,1]=4 175 B10R0.71 CCCCCCCCNC=O N159413 [2,0,0,0,0,0|1,0,0]=3 176 B10R0.71 CCCCCCCCOC=O O302220 [2,0,0,0,0,0|1,0,0]=3 177 B10R0.71 CCCCCNCCCCC D141107 [2,0,0,0,0,0|1,0,1]=4 178 B10R0.71 CCCCCOCCCCC D113292 [2,0,0,0,0,0|1,0,1]=4 179 B10R0.71 CCCCCSCCCCC A151356 [2,0,0,0,0,0|1,0,1]=4 180 B10R0.71 CCCCOCCOCCO B110647 [2,0,0,0,0,0|2,0,0]=4 181 B10R0.71 CCCCOCCOCCO B110648 [2,0,0,0,0,0|2,0,0]=4 182 B10R0.71 CCCCOCCOCCO B110651 [2,0,0,0,0,0|2,0,0]=4 183 B10R0.4 B(CCCCCCCC)(O)O N404820 [2,0,0,0,0,0|1,0,1]=4 184 B10R0.4 C(CCCC(=O)O)CCCBr B135312 [2,0,0,0,0,0|1,0,0]=3 185 B10R0.4 C(CCCC(=O)O)CCCN A165345 [2,0,0,0,0,0|1,0,0]=3 186 B10R0.4 C(CCCC(=O)O)CCCO H473772 [2,0,0,0,0,0|1,0,0]=3 187 B10R0.4 C=CCCCCCCC(=O)O N404785 [2,0,0,0,0,0|0,0,2]=4 188 B10R0.4 CCCCCCC=CC(=O)O N303594 [2,0,0,0,0,0|0,0,2]=4 189 B10R0.4 CCCCCCCCC(=O)C D139185 [2,0,0,0,0,0|1,0,0]=3 190 B10R0.4 CCCCCCCCC(=O)C D139186 [2,0,0,0,0,0|1,0,0]=3 191 B10R0.4 CCCCCCCCC(=O)C D464910 [2,0,0,0,0,0|1,0,0]=3 192 B10R0.4 CCCCCCCCC(=O)Cl N158955 [2,0,0,0,0,0|1,0,0]=3 193 B10R0.4 CCCCCCCCC(=O)Cl N158958 [2,0,0,0,0,0|1,0,0]=3 194 B10R0.4 CCCCCCCCC(=O)O N110892 [2,0,0,0,0,0|0,0,0]=2 195 B10R0.4 CCCCCCCCC(=O)O N110893 [2,0,0,0,0,0|0,0,0]=2 196 B10R0.4 CCCCCCCCC(=O)O N110894 [2,0,0,0,0,0|0,0,0]=2 197 B10R0.4 CCCCCCCCC(=O)O N110895 [2,0,0,0,0,0|0,0,0]=2 198 B10R0.4 CCCCCCCCC(=O)O N196934 [2,0,0,0,0,0|0,0,0]=2 199 B10R0.4 CCCCCCCCC(=O)O N420639 [2,0,0,0,0,0|0,0,0]=2 200 B10R0.4 CCCCCCCCC(=O)[O-] S161312 [2,0,0,0,0,0|0,0,1]=3 201 B10R0.4 CCCCCCCCC(C)O D154355 [2,0,0,0,0,0|1,0,1]=4 202 B10R0.4 CCCCCCCOC(=O)C H157248 [2,0,0,0,0,0|2,0,0]=4 203 B10R0.4 CCCCCCCOC(=O)Cl H156985 [2,0,0,0,0,0|2,0,0]=4 204 B12R0.1 CCCCCCCCC(C)CCC M158515 [1,1,0,0,0,0|1,0,1]=4 205 B12R0.5 C(CCCCCBr)CCCCCBr D138351 [1,1,0,0,0,0|1,0,1]=4 206 B12R0.5 C(CCCCCO)CCCCCBr B102369 [1,1,0,0,0,0|0,0,1]=3 207 B12R0.5 C(CCCCCO)CCCCCO U186484 [1,1,0,0,0,0|0,0,1]=3 208 B12R0.5 C(CCCCCO)CCCCCS W136857 [1,1,0,0,0,0|0,0,1]=3 209 B12R0.5 CCC#CCCCCCCCCO D348396 [1,1,0,0,0,0|0,0,2]=4 210 B12R0.5 CCCCCCCCCC=CC=O T162346 [1,1,0,0,0,0|0,0,1]=3 211 B12R0.5 CCCCCCCCCC=CCO T161454 [1,1,0,0,0,0|0,0,1]=3 212 B12R0.5 CCCCCCCCCCCC#C T332514 [1,1,0,0,0,0|1,0,1]=4 213 B12R0.5 CCCCCCCCCCCC#N D101445 [1,1,0,0,0,0|1,0,1]=4 214 B12R0.5 CCCCCCCCCCCC=C T162364 [1,1,0,0,0,0|1,0,0]=3 215 B12R0.5 CCCCCCCCCCCC=C T162510 [1,1,0,0,0,0|1,0,0]=3 216 B12R0.5 CCCCCCCCCCCC=O L105454 [1,1,0,0,0,0|0,0,0]=2 217 B12R0.5 CCCCCCCCCCCCBr B105789 [1,1,0,0,0,0|1,0,1]=4 218 B12R0.5 CCCCCCCCCCCCC T108177 [1,1,0,0,0,0|1,0,1]=4 219 B12R0.5 CCCCCCCCCCCCC T108178 [1,1,0,0,0,0|1,0,1]=4 220 B12R0.5 CCCCCCCCCCCCC T108179 [1,1,0,0,0,0|1,0,1]=4 221 B12R0.5 CCCCCCCCCCCCC T108180 [1,1,0,0,0,0|1,0,1]=4 222 B12R0.5 CCCCCCCCCCCCCl C110969 [1,1,0,0,0,0|1,0,1]=4 223 B12R0.5 CCCCCCCCCCCCF F169659 [1,1,0,0,0,0|1,0,1]=4 224 B12R0.5 CCCCCCCCCCCCI I157556 [1,1,0,0,0,0|1,0,1]=4 225 B12R0.5 CCCCCCCCCCCCN D113938 [1,1,0,0,0,0|1,0,1]=4 226 B12R0.5 CCCCCCCCCCCCN D113939 [1,1,0,0,0,0|1,0,1]=4 227 B12R0.5 CCCCCCCCCCCCN D154685 [1,1,0,0,0,0|1,0,1]=4 228 B12R0.5 CCCCCCCCCCCCN D154916 [1,1,0,0,0,0|1,0,1]=4 229 B12R0.5 CCCCCCCCCCCCN D292887 [1,1,0,0,0,0|1,0,1]=4 230 B12R0.5 CCCCCCCCCCCCN D292896 [1,1,0,0,0,0|1,0,1]=4 231 B12R0.5 CCCCCCCCCCCCO D112297 [1,1,0,0,0,0|0,0,1]=3 232 B12R0.5 CCCCCCCCCCCCO D112298 [1,1,0,0,0,0|0,0,1]=3 233 B12R0.5 CCCCCCCCCCCCO D112299 [1,1,0,0,0,0|0,0,1]=3 234 B12R0.5 CCCCCCCCCCCCO D431501 [1,1,0,0,0,0|0,0,1]=3 235 B12R0.5 CCCCCCCCCCCCS D105610 [1,1,0,0,0,0|0,1,1]=4 236 B12R0.5 CCCCCCNCCCCCC D105361 [1,1,0,0,0,0|1,0,1]=4 237 B12R0.5 CCCCCCOCCOCCO D111066 [1,1,0,0,0,0|1,0,1]=4 238 B12R0.5 CCCCCCSCCCCCC H157107 [1,1,0,0,0,0|1,0,1]=4 239 B12R0.248 CCCCCCCCCC(C)C=O M355340 [1,1,0,0,0,0|0,0,0]=2 240 B12R0.4 CCCCCCCC(CC(=O)O)O R133494 [1,1,0,0,0,0|0,0,0]=2 241 B12R0.119 CCCCCCCCCP(=O)(O)O N159773 [1,1,0,0,0,0|1,0,0]=3 242 B12R0.119 CCCCCCCCCS(=O)(=O)[O-] S161102 [1,1,0,0,0,0|1,0,1]=4 243 B12R0.119 CCCCCCCCCS(=O)(=O)[O-] S161240 [1,1,0,0,0,0|1,0,1]=4 244 B12R0.184 COC(=O)CCCCCCC(=O)O S119949 [1,1,0,0,0,0|1,0,1]=4 245 B12R0.233 CCCCCC(CCCC(=O)[O-])O H299595 [1,1,0,0,0,0|0,0,1]=3 246 B12R0.251 CCCCCCCCC(C(=O)O)O H276520 [1,1,0,0,0,0|0,0,0]=2 247 B12R0.268 C(CCCC(=O)O)CCCC(=O)O A108439 [1,1,0,0,0,0|1,0,1]=4 248 B12R0.268 C(CCCC(=O)O)CCCC(=O)O A108440 [1,1,0,0,0,0|1,0,1]=4 249 B12R0.268 C(CCCC(=O)O)CCCC(=O)O A421035 [1,1,0,0,0,0|1,0,1]=4 250 B12R0.277 CCOC(=O)CCCCCC(=O)O M124702 [1,1,0,0,0,0|1,0,1]=4 251 B14R0.68 C(CCCCC(=O)O)CCCCC(=O)O U107255 [0,2,0,0,0,0|0,0,1]=3 252 B14R0.68 CC(C)CCCCCCCCCC(=O)O M352372 [0,2,0,0,0,0|0,0,0]=2 253 B14R0.88 CCCCCCCCCCCS(=O)(=O)[O-] S161103 [0,2,0,0,0,0|1,0,1]=4 254 B14R0.88 CCCCCCCCCCOS(=O)(=O)[O-] S129113 [0,2,0,0,0,0|1,0,1]=4 255 B14R0.88 CCCCCCCCCCSS(=O)(=O)C D330706 [0,2,0,0,0,0|1,0,1]=4 256 B14R0.305 CC(C)CCCCCCCOC(=O)C=C I117925 [0,2,0,0,0,0|2,0,0]=4 257 B14R0.305 COC(=O)CCCCCCCCC(=O)O M158575 [0,2,0,0,0,0|0,0,1]=3 258 B14R0.337 CCCCCCCCCCCC(=O)CC T162162 [0,2,0,0,0,0|1,0,0]=3 259 B14R0.337 CCCCCCCCCCCC(=O)NC N159399 [0,2,0,0,0,0|1,0,0]=3 260 B14R0.337 CCCCCCCCCCCC(=O)OC M108594 [0,2,0,0,0,0|0,0,0]=2 261 B14R0.337 CCCCCCCCCCCC(=O)OC M108595 [0,2,0,0,0,0|0,0,0]=2 262 B14R0.337 CCCCCCCCCCCC(=O)OC M108597 [0,2,0,0,0,0|0,0,0]=2 263 B14R0.337 COC(=O)CCCCCCCCCCBr M157817 [0,2,0,0,0,0|0,0,0]=2 264 B14R0.340 CCCCCCCCCCC(C(=O)O)N A192935 [0,2,0,0,0,0|0,0,0]=2 265 B14R0.340 CCCCCCCCCCC(C(=O)O)O H276183 [0,2,0,0,0,0|0,0,0]=2 266 B14R0.391 CCCCCCCCCC(CC(=O)O)O H275247 [0,2,0,0,0,0|0,0,0]=2 267 B14R0.391 CCCCCCCCOC(=O)CC(=O)C N159389 [0,2,0,0,0,0|1,0,1]=4 268 B14R0.394 C(CCCCCC(=O)O)CCCCCBr B350128 [0,2,0,0,0,0|0,0,0]=2 269 B14R0.394 C(CCCCCC(=O)O)CCCCCN A151311 [0,2,0,0,0,0|0,0,0]=2 270 B14R0.394 C(CCCCCC(=O)O)CCCCCO H193629 [0,2,0,0,0,0|0,0,0]=2 271 B14R0.394 C(COCCOCCOCCBr)C(=O)O B487282 [0,2,0,0,0,0|2,0,0]=4 272 B14R0.394 C(COCCOCCOCCN)C(=O)O A122169 [0,2,0,0,0,0|2,0,0]=4 273 B14R0.394 C(COCCOCCOCCO)C(=O)O H589334 [0,2,0,0,0,0|2,0,0]=4 274 B14R0.394 CCCCCCCCCCC=CC(=O)O T352366 [0,2,0,0,0,0|0,0,0]=2 275 B14R0.394 CCCCCCCCCCCCC(=O)C T162161 [0,2,0,0,0,0|1,0,0]=3 276 B14R0.394 CCCCCCCCCCCCC(=O)O T114032 [0,2,0,0,0,0|0,0,0]=2 277 B14R0.394 CCCCCCCCCCCCC(=O)O T137742 [0,2,0,0,0,0|0,0,0]=2 278 B14R0.394 CCCCCCCCCCCCC(C)O T161458 [0,2,0,0,0,0|1,0,1]=4 279 B14R0.394 CCCCCCCCCCCCS(=O)C D135442 [0,2,0,0,0,0|2,0,0]=4 280 B14R0.427 C(CCCC(=O)O)CCC(CC(=O)O)O H351088 [0,2,0,0,0,0|1,0,1]=4 281 B14R0.197 COC(=O)CCCCCCCC(=O)OC D155171 [0,2,0,0,0,0|1,0,1]=4 282 B14R0.197 COC(=O)CCCCCCCC(=O)OC D465414 [0,2,0,0,0,0|1,0,1]=4 283 B14R0.393 CCCCCCCCCCC(=O)OCC E139107 [0,2,0,0,0,0|0,0,0]=2 284 B14R0.393 CCCCCCCCCNC(=O)CCS M345283 [0,2,0,0,0,0|1,1,0]=4 285 B14R0.393 CCOC(=O)CCCCCCCCC=C E156058 [0,2,0,0,0,0|0,0,2]=4 286 B12R1.8 CCCCCCC1CCCCC1 H157209 [1,0,0,1,0,0|1,0,1]=4 287 B12R1.37 CCCCCCCC1OCCO1 H404571 [1,0,0,1,0,0|1,0,1]=4 288 B12R1.372 CCCCCCC1CCCC1=O H117489 [1,0,0,1,0,0|0,0,0]=2 289 B12R1.550 C1CCCCCC=CCCCC1 C153414 [1,0,0,1,0,0|1,0,0]=3 290 B12R1.550 C1CCCCCCCCCCC1 C153591 [1,0,0,1,0,0|1,0,1]=4 291 B12R1.7 CCCCCCC1CCC(=O)O1 D101437 [1,0,0,1,0,0|0,0,0]=2 292 B12R1.28 CC=CCCC1CCCC(=O)O1 J463459 [1,0,0,1,0,0|0,0,2]=4 293 B12R1.28 CCCCCC1CCCC(=O)O1 D101425 [1,0,0,1,0,0|0,0,0]=2 294 B12R1.141 C1CCCC(=O)OC(=O)CCC1 O589079 [1,0,0,1,0,0|1,0,1]=4 295 B12R1.252 C1CCC(CC1)CCCC(=O)O C153556 [1,0,0,1,0,0|0,0,0]=2 296 B12R1.252 C1CCC(CC1)CCCC(=O)[O-] S171238 [1,0,0,1,0,0|0,0,1]=3 297 B12R1.252 C1CNCCC1CCCC(=O)O P471630 [1,0,0,1,0,0|1,0,0]=3 298 B12R1.255 C1CSSC1CCCCC(=O)O D118666 [1,0,0,1,0,0|2,0,0]=4 299 B12R1.255 C1CSSC1CCCCC(=O)O D420534 [1,0,0,1,0,0|2,0,0]=4 300 B12R1.255 C1CSSC1CCCCC(=O)O L124685 [1,0,0,1,0,0|2,0,0]=4 301 B12R1.255 C1CSSC1CCCCC(=O)O R420885 [1,0,0,1,0,0|2,0,0]=4 302 B12R1.255 C1CSSC1CCCCC(=O)O T106640 [1,0,0,1,0,0|2,0,0]=4 303 B14R1.26 CCCCCCCC1CCCC(=O)O1 D107525 [0,1,0,1,0,0|0,0,0]=2 304 B14R1.122 CCCCCCCCC1CCC(=O)O1 D101441 [0,1,0,1,0,0|0,0,0]=2 305 B14R1.122 CCCCCCCCC1CCC(=O)O1 D101442 [0,1,0,1,0,0|0,0,0]=2 306 B14R1.221 CCCCCCCCCOCC1CO1 O136997 [0,1,0,1,0,0|1,0,1]=4 307 B14R1.4408 C1CCCCCC(=O)NCCCCC1 O159931 [0,1,0,1,0,0|1,0,0]=3 308 B14R1.4960 C1CCC(=O)OCCCCOC(=O)C1 D333629 [0,1,0,1,0,0|1,0,1]=4 309 B14R1.14 CCCCCCCC1CCC(=O)CC1 H301533 [0,1,0,1,0,0|1,0,0]=3 310 B14R1.247 C1CCCCCC(C(CCCC1)O)O C153238 [0,1,0,1,0,0|0,0,2]=4 311 B14R1.3331 C1CCC(CC1)NCCCS(=O)(=O)O C105209 [0,1,0,1,0,0|2,0,0]=4 312 B14R1.3331 C1CCC(CC1)NCCCS(=O)(=O)O C105210 [0,1,0,1,0,0|2,0,0]=4 313 B14R2.2841 C1CCCCCC2C(O2)CCCC1 E156397 [0,0,0,2,0,0|1,0,1]=4