0 B12R1.28 CC=CCCC1CCCC(=O)O1 J463459 [0,0,0,0,0,0|0,0,2]=2 1 B12R1.28 CCCCCC1=CC=CC(=O)O1 P134904 [0,0,0,0,0,0|0,0,4]=4 2 B12R1.28 CCCCCC1CCCC(=O)O1 D101425 [0,0,0,0,0,0|0,0,0]=0 3 B11R1.24 CCCCC1CCCC(=O)O1 N117517 [1,0,0,0,0,0|0,0,0]=1 4 B11R1.28 C1CCC(CC1)CCCCO C303730 [1,0,0,0,0,0|2,0,1]=4 5 B11R1.28 C1CCOC(C1)OCCCBr B115796 [1,0,0,0,0,0|2,0,1]=4 6 B11R1.28 CCCCCC1CCCCC1 A151237 [1,0,0,0,0,0|1,0,1]=3 7 B13R1.6 CCCCCCC1CCCC(=O)O1 U114508 [0,1,0,0,0,0|0,0,0]=1 8 B11R0.4 CCCC(=O)OCCC=CCC I167755 [0,0,1,0,0,0|0,0,2]=3 9 B11R0.4 CCCC=CCOC(=O)CCC T161766 [0,0,1,0,0,0|0,0,2]=3 10 B11R0.4 CCCCCCCC(=O)CCC U162909 [0,0,1,0,0,0|1,0,0]=2 11 B11R0.4 CCCCCCCC(=O)OCC E101042 [0,0,1,0,0,0|2,0,0]=3 12 B11R0.4 CCCCCCCC(=O)OCC E101043 [0,0,1,0,0,0|2,0,0]=3 13 B11R0.4 CCCCCCCC(CCC)O U162923 [0,0,1,0,0,0|1,0,2]=4 14 B11R0.4 CCCCCCOC(=O)CCC H156884 [0,0,1,0,0,0|0,0,0]=1 15 B11R0.4 CCOC(=O)CCCCCCBr E133361 [0,0,1,0,0,0|3,0,0]=4 16 B11R0.4 CCOC(=O)CCCCCCN A183507 [0,0,1,0,0,0|3,0,0]=4 17 B11R0.77 CCCCCC(C=C)OC(=O)C O168963 [0,0,1,0,0,0|0,0,2]=3 18 B11R0.80 CCCCCC(OCC)OCC H157391 [0,0,1,0,0,0|2,0,1]=4 19 B11R0.140 CCCCCC(CCCCC)N U405126 [0,0,1,0,0,0|2,0,1]=4 20 B11R0.148 C(CCCCBr)CCCC(=O)O B123554 [0,0,1,0,0,0|1,0,0]=2 21 B11R0.148 C(CCCCN)CCCC(=O)O A586392 [0,0,1,0,0,0|1,0,0]=2 22 B11R0.148 C(CCCCO)CCCC(=O)O C133682 [0,0,1,0,0,0|1,0,0]=2 23 B11R0.148 C(COCCOCCBr)C(=O)O B339978 [0,0,1,0,0,0|3,0,0]=4 24 B11R0.148 C(COCCOCCN)C(=O)O A122168 [0,0,1,0,0,0|3,0,0]=4 25 B11R0.148 C=CCCCCCCCC(=O)O D155291 [0,0,1,0,0,0|0,0,2]=3 26 B11R0.148 CCCCCC=CCCC(=O)O D303268 [0,0,1,0,0,0|0,0,2]=3 27 B11R0.148 CCCCCCCC=CC(=O)O D303461 [0,0,1,0,0,0|0,0,2]=3 28 B11R0.148 CCCCCCCCCC(=O)C U109753 [0,0,1,0,0,0|1,0,0]=2 29 B11R0.148 CCCCCCCCCC(=O)C U109754 [0,0,1,0,0,0|1,0,0]=2 30 B11R0.148 CCCCCCCCCC(=O)C U109755 [0,0,1,0,0,0|1,0,0]=2 31 B11R0.148 CCCCCCCCCC(=O)Cl D101725 [0,0,1,0,0,0|1,0,0]=2 32 B11R0.148 CCCCCCCCCC(=O)O D109189 [0,0,1,0,0,0|0,0,0]=1 33 B11R0.148 CCCCCCCCCC(=O)O D109191 [0,0,1,0,0,0|0,0,0]=1 34 B11R0.148 CCCCCCCCCC(=O)O D109192 [0,0,1,0,0,0|0,0,0]=1 35 B11R0.148 CCCCCCCCCC(=O)O D109193 [0,0,1,0,0,0|0,0,0]=1 36 B11R0.148 CCCCCCCCCC(=O)O D423444 [0,0,1,0,0,0|0,0,0]=1 37 B11R0.148 CCCCCCCCCC(=O)[O-] S161316 [0,0,1,0,0,0|0,0,1]=2 38 B11R0.148 CCCCCCCCCC(C)C I347910 [0,0,1,0,0,0|2,0,1]=4 39 B11R0.148 CCCCCCCCCC(C)C M158517 [0,0,1,0,0,0|2,0,1]=4 40 B11R0.148 CCCCCCCCCC(C)O U162921 [0,0,1,0,0,0|1,0,1]=3 41 B11R0.148 CCCCCCCCCC(C)O U418605 [0,0,1,0,0,0|1,0,1]=3 42 B11R0.148 CCCCCCCCOC(=O)C O102935 [0,0,1,0,0,0|2,0,0]=3 43 B11R0.148 CCCCCCCCOC(=O)Cl N158924 [0,0,1,0,0,0|2,0,0]=3 44 B11R0.148 CCCCOCCOCC(=O)O B483984 [0,0,1,0,0,0|2,0,0]=3 45 B11R0.148 COCCOCCOCC(=O)O M158391 [0,0,1,0,0,0|3,0,0]=4 46 B11R0.148 COCCOCCOCC(=O)O M406724 [0,0,1,0,0,0|3,0,0]=4 47 B11R0.154 CCCCCC(CC(=O)OC)O M275874 [0,0,1,0,0,0|3,0,0]=4 48 B13R2.11128 C1CNCCC12CCNC(=O)C2 D590413 [0,0,0,1,0,0|3,0,0]=4 49 B11R1.27 CCCCCC1CCC(=O)O1 N101430 [0,0,0,0,1,0|0,0,0]=1 50 B11R1.180 CCCCCC1=CCCC1=O P160131 [0,0,0,0,1,0|0,0,2]=3 51 B10R0.1 CCCCCCC(=O)CCC D154230 [1,0,1,0,0,0|0,0,0]=2 52 B10R0.1 CCCCCCC(=O)OCC E100047 [1,0,1,0,0,0|1,0,0]=3 53 B10R0.1 CCCCCCC(=O)OCC E305454 [1,0,1,0,0,0|1,0,0]=3 54 B10R0.1 CCCCCCC(CCC)O D154356 [1,0,1,0,0,0|0,0,2]=4 55 B10R0.1 CCCCCOC(=O)CCC A111359 [1,0,1,0,0,0|0,0,0]=2 56 B10R0.1 CCOC(=O)CCCCCBr E156144 [1,0,1,0,0,0|2,0,0]=4 57 B10R0.1 CCOC(=O)CCCCCN E193000 [1,0,1,0,0,0|2,0,0]=4 58 B10R0.1 CCOC(=O)CCCCCO E156101 [1,0,1,0,0,0|2,0,0]=4 59 B10R0.1 CCOCCCC(=O)OCC E341712 [1,0,1,0,0,0|2,0,0]=4 60 B10R0.71 C(CCCCO)CCCCBr B124493 [1,0,1,0,0,0|1,0,1]=4 61 B10R0.71 C(CCCCO)CCCCCl C589319 [1,0,1,0,0,0|1,0,1]=4 62 B10R0.71 C(CCCCO)CCCCO N133834 [1,0,1,0,0,0|1,0,1]=4 63 B10R0.71 C=CCCCCCCCCBr B133959 [1,0,1,0,0,0|2,0,0]=4 64 B10R0.71 C=CCCCCCCCCO D155265 [1,0,1,0,0,0|2,0,0]=4 65 B10R0.71 CCCCCCCC=CC=O D117855 [1,0,1,0,0,0|0,0,2]=4 66 B10R0.71 CCCCCCCCCC#N D154472 [1,0,1,0,0,0|1,0,1]=4 67 B10R0.71 CCCCCCCCCC=C U162898 [1,0,1,0,0,0|1,0,0]=3 68 B10R0.71 CCCCCCCCCC=C U162902 [1,0,1,0,0,0|1,0,0]=3 69 B10R0.71 CCCCCCCCCC=C U162903 [1,0,1,0,0,0|1,0,0]=3 70 B10R0.71 CCCCCCCCCC=O D105551 [1,0,1,0,0,0|0,0,0]=2 71 B10R0.71 CCCCCCCCCCBr B105788 [1,0,1,0,0,0|1,0,1]=4 72 B10R0.71 CCCCCCCCCCC N431487 [1,0,1,0,0,0|1,0,1]=4 73 B10R0.71 CCCCCCCCCCC U108239 [1,0,1,0,0,0|1,0,1]=4 74 B10R0.71 CCCCCCCCCCC U108240 [1,0,1,0,0,0|1,0,1]=4 75 B10R0.71 CCCCCCCCCCC U108241 [1,0,1,0,0,0|1,0,1]=4 76 B10R0.71 CCCCCCCCCCC U110889 [1,0,1,0,0,0|1,0,1]=4 77 B10R0.71 CCCCCCCCCCCl C104797 [1,0,1,0,0,0|1,0,1]=4 78 B10R0.71 CCCCCCCCCCI I157555 [1,0,1,0,0,0|1,0,1]=4 79 B10R0.71 CCCCCCCCCCN D107311 [1,0,1,0,0,0|1,0,1]=4 80 B10R0.71 CCCCCCCCCCN D292748 [1,0,1,0,0,0|1,0,1]=4 81 B10R0.71 CCCCCCCCCCN D492584 [1,0,1,0,0,0|1,0,1]=4 82 B10R0.71 CCCCCCCCCCO D103414 [1,0,1,0,0,0|0,0,1]=3 83 B10R0.71 CCCCCCCCCCO D103415 [1,0,1,0,0,0|0,0,1]=3 84 B10R0.71 CCCCCCCCCCS D102323 [1,0,1,0,0,0|0,1,1]=4 85 B10R0.71 CCCCCCCCN=C=O O120151 [1,0,1,0,0,0|1,0,1]=4 86 B10R0.71 CCCCCCCCNC=O N159413 [1,0,1,0,0,0|1,0,0]=3 87 B10R0.71 CCCCCCCCOC=O O302220 [1,0,1,0,0,0|1,0,0]=3 88 B10R0.71 CCCCOCOCCCC D155924 [1,0,1,0,0,0|1,0,1]=4 89 B10R0.74 CCC=CCCOC(=O)CC H117504 [1,0,1,0,0,0|0,0,2]=4 90 B10R0.74 CCCC=CCOC(=O)CC T161809 [1,0,1,0,0,0|0,0,2]=4 91 B10R0.74 CCCCCCCC(=O)CC D154228 [1,0,1,0,0,0|1,0,0]=3 92 B10R0.74 CCCCCCCC(=O)OC M158053 [1,0,1,0,0,0|2,0,0]=4 93 B10R0.74 CCCCCCCC(=O)OC M158158 [1,0,1,0,0,0|2,0,0]=4 94 B10R0.74 CCCCCCOC(=O)C=C H156906 [1,0,1,0,0,0|0,0,2]=4 95 B10R0.74 CCCCCCOC(=O)CC H157249 [1,0,1,0,0,0|0,0,0]=2 96 B10R0.91 CCCCCC(C=CC=O)O H274882 [1,0,1,0,0,0|0,0,2]=4 97 B10R0.91 CCCCCC(CCCC)O D154357 [1,0,1,0,0,0|0,0,1]=3 98 B10R0.4 B(CCCCCCCC)(O)O N404820 [1,0,1,0,0,0|1,0,1]=4 99 B10R0.4 C(CCCC(=O)O)CCCBr B135312 [1,0,1,0,0,0|1,0,0]=3 100 B10R0.4 C(CCCC(=O)O)CCCN A165345 [1,0,1,0,0,0|1,0,0]=3 101 B10R0.4 C(CCCC(=O)O)CCCO H473772 [1,0,1,0,0,0|1,0,0]=3 102 B10R0.4 C=CCCCCCCC(=O)O N404785 [1,0,1,0,0,0|0,0,2]=4 103 B10R0.4 CCCCCCC=CC(=O)O N303594 [1,0,1,0,0,0|0,0,2]=4 104 B10R0.4 CCCCCCCCC(=O)C D139185 [1,0,1,0,0,0|1,0,0]=3 105 B10R0.4 CCCCCCCCC(=O)C D139186 [1,0,1,0,0,0|1,0,0]=3 106 B10R0.4 CCCCCCCCC(=O)C D464910 [1,0,1,0,0,0|1,0,0]=3 107 B10R0.4 CCCCCCCCC(=O)Cl N158955 [1,0,1,0,0,0|1,0,0]=3 108 B10R0.4 CCCCCCCCC(=O)Cl N158958 [1,0,1,0,0,0|1,0,0]=3 109 B10R0.4 CCCCCCCCC(=O)O N110892 [1,0,1,0,0,0|0,0,0]=2 110 B10R0.4 CCCCCCCCC(=O)O N110893 [1,0,1,0,0,0|0,0,0]=2 111 B10R0.4 CCCCCCCCC(=O)O N110894 [1,0,1,0,0,0|0,0,0]=2 112 B10R0.4 CCCCCCCCC(=O)O N110895 [1,0,1,0,0,0|0,0,0]=2 113 B10R0.4 CCCCCCCCC(=O)O N196934 [1,0,1,0,0,0|0,0,0]=2 114 B10R0.4 CCCCCCCCC(=O)O N420639 [1,0,1,0,0,0|0,0,0]=2 115 B10R0.4 CCCCCCCCC(=O)[O-] S161312 [1,0,1,0,0,0|0,0,1]=3 116 B10R0.4 CCCCCCCCC(C)O D154355 [1,0,1,0,0,0|1,0,1]=4 117 B10R0.4 CCCCCCCOC(=O)C H157248 [1,0,1,0,0,0|2,0,0]=4 118 B10R0.4 CCCCCCCOC(=O)Cl H156985 [1,0,1,0,0,0|2,0,0]=4 119 B10R1.10 CCCC1CCCC(=O)O1 O117516 [2,0,0,0,0,0|0,0,0]=2 120 B10R1.17 CCCCC1CCCCC1 B152699 [2,0,0,0,0,0|1,0,1]=4 121 B12R0.1 CCCCCCCCC(=O)OCC E156541 [0,1,1,0,0,0|2,0,0]=4 122 B12R0.1 CCOC(=O)CCCCCCCBr E183505 [0,1,1,0,0,0|2,0,0]=4 123 B12R0.4 CCC=CCCOC(=O)CC(C)C H117498 [0,1,1,0,0,0|0,0,2]=4 124 B12R0.4 CCCCCCCC(=O)CC(C)C M158247 [0,1,1,0,0,0|1,0,0]=3 125 B12R0.4 CCCCCCCC(=O)OC(C)C I157711 [0,1,1,0,0,0|2,0,0]=4 126 B12R0.4 CCCCCCOC(=O)CC(=O)C H156878 [0,1,1,0,0,0|0,0,1]=3 127 B12R0.49 CCC=CCCOC(=O)C(C)CC M117698 [0,1,1,0,0,0|0,0,2]=4 128 B12R0.114 CCCCCCC(C(=O)OCC)Br E170907 [0,1,1,0,0,0|2,0,0]=4 129 B12R0.206 CCCCC(=O)OCC=CCCC T404537 [0,1,1,0,0,0|0,0,2]=4 130 B12R0.206 CCCCC(=O)OCCC=CCC H117502 [0,1,1,0,0,0|0,0,2]=4 131 B12R0.206 CCCCCCCC(=O)OCCC P160126 [0,1,1,0,0,0|1,0,0]=3 132 B12R0.233 CCCCCC(CCCC(=O)[O-])O H299595 [0,1,1,0,0,0|0,0,0]=2 133 B12R0.119 CCCCCCCCCP(=O)(O)O N159773 [0,1,1,0,0,0|1,0,0]=3 134 B12R0.119 CCCCCCCCCS(=O)(=O)[O-] S161102 [0,1,1,0,0,0|1,0,1]=4 135 B12R0.119 CCCCCCCCCS(=O)(=O)[O-] S161240 [0,1,1,0,0,0|1,0,1]=4 136 B12R0.184 COC(=O)CCCCCCC(=O)O S119949 [0,1,1,0,0,0|1,0,1]=4 137 B12R0.234 C#CCCCCCCCCC(=O)O U162912 [0,1,1,0,0,0|0,0,1]=3 138 B12R0.234 C(CCCC=CC(=O)O)CCCO H140068 [0,1,1,0,0,0|0,0,2]=4 139 B12R0.234 C(CCCCC(=O)O)CCCCBr C118560 [0,1,1,0,0,0|0,0,0]=2 140 B12R0.234 C(CCCCC(=O)O)CCCCO H115187 [0,1,1,0,0,0|0,0,0]=2 141 B12R0.234 C=CCCCCCCCCC(=O)Cl U101250 [0,1,1,0,0,0|1,0,1]=4 142 B12R0.234 C=CCCCCCCCCC(=O)O U106483 [0,1,1,0,0,0|0,0,1]=3 143 B12R0.234 C=CCCCCCCCCC(=O)O U106484 [0,1,1,0,0,0|0,0,1]=3 144 B12R0.234 C=CCCCCCCCCC(=O)[O-] U339578 [0,1,1,0,0,0|0,0,2]=4 145 B12R0.234 C=CCCCCCCCCC(=O)[O-] Z303980 [0,1,1,0,0,0|0,0,2]=4 146 B12R0.234 CCCCCCCCC=CC(=O)O U303689 [0,1,1,0,0,0|0,0,1]=3 147 B12R0.234 CCCCCCCCCCC(=O)C D154643 [0,1,1,0,0,0|1,0,0]=3 148 B12R0.234 CCCCCCCCCCC(=O)Cl U101147 [0,1,1,0,0,0|1,0,0]=3 149 B12R0.234 CCCCCCCCCCC(=O)O U109481 [0,1,1,0,0,0|0,0,0]=2 150 B12R0.234 CCCCCCCCCCC(=O)O U109482 [0,1,1,0,0,0|0,0,0]=2 151 B12R0.234 CCCCCCCCCCC(=O)O U109483 [0,1,1,0,0,0|0,0,0]=2 152 B12R0.234 CCCCCCCCCCC(=O)O U420645 [0,1,1,0,0,0|0,0,0]=2 153 B12R0.234 CCCCCCCCCCC(C)O D154178 [0,1,1,0,0,0|1,0,1]=4 154 B12R0.234 CCCCCCCCCOC(=O)C N158996 [0,1,1,0,0,0|1,0,0]=3 155 B12R0.234 CCCCCCCCCOC(=O)Cl N158931 [0,1,1,0,0,0|1,0,0]=3 156 B12R0.248 CCCCCCCCCC(=O)CC D478717 [0,1,1,0,0,0|1,0,0]=3 157 B12R0.248 CCCCCCCCCC(=O)OC M107049 [0,1,1,0,0,0|0,0,0]=2 158 B12R0.248 CCCCCCCCCC(=O)OC M107050 [0,1,1,0,0,0|0,0,0]=2 159 B12R0.248 CCCCCCCCCC(=O)OC M107051 [0,1,1,0,0,0|0,0,0]=2 160 B12R0.248 CCCCCCCCCC(=O)OC M118488 [0,1,1,0,0,0|0,0,0]=2 161 B12R0.248 CCCCCCCCCC(C)C=O M355340 [0,1,1,0,0,0|1,0,1]=4 162 B12R0.248 CCCCCCCCOC(=O)C=C O303196 [0,1,1,0,0,0|2,0,0]=4 163 B12R0.248 CCCCCCCCOC(=O)CS N159502 [0,1,1,0,0,0|1,1,0]=4 164 B12R0.248 COC(=O)CCCCCCCCO M135472 [0,1,1,0,0,0|1,0,0]=3 165 B12R0.251 CCCCCCCCC(C(=O)O)O H276520 [0,1,1,0,0,0|0,0,0]=2 166 B12R0.268 C(CCCC(=O)O)CCCC(=O)O A108439 [0,1,1,0,0,0|1,0,1]=4 167 B12R0.268 C(CCCC(=O)O)CCCC(=O)O A108440 [0,1,1,0,0,0|1,0,1]=4 168 B12R0.268 C(CCCC(=O)O)CCCC(=O)O A421035 [0,1,1,0,0,0|1,0,1]=4 169 B12R1.1 CCCCCC1CCC(CC1)N A151368 [1,1,0,0,0,0|1,0,1]=4 170 B12R1.1 CCCCCC1CCC(CC1)O A133487 [1,1,0,0,0,0|1,0,1]=4 171 B12R1.1 CCCCCC1CCC(CC1)O T161561 [1,1,0,0,0,0|1,0,1]=4 172 B12R1.8 C1CCOC(C1)OCCCCBr B153127 [1,1,0,0,0,0|1,0,1]=4 173 B12R1.8 CCCCCCC1CCCCC1 H157209 [1,1,0,0,0,0|1,0,1]=4 174 B12R1.7 CCCCCCC1CCC(=O)O1 D101437 [0,1,0,0,1,0|0,0,0]=2 175 B12R1.318 CCOC(=O)CC1CCCC1=O E135353 [0,1,0,0,1,0|1,0,1]=4 176 B12R1.372 CCCCCCC1CCCC1=O H117489 [0,1,0,0,1,0|0,0,0]=2 177 B12R1.567 CCCCCC1=C(CCC1=O)C D154787 [0,1,0,0,1,0|0,0,2]=4 178 B14R1.26 CCCCCCCC1CCCC(=O)O1 D107525 [0,2,0,0,0,0|0,0,0]=2 179 B12R1.51 CCCC(=O)OCC1CCCO1 T161754 [0,0,1,1,0,0|1,0,0]=3 180 B12R1.1564 CCSC(=O)N1CCCCCC1 M114619 [0,0,1,1,0,0|2,0,0]=4 181 B12R1.1410 CCCCCC1C(O1)C=CC=O T345762 [0,0,1,1,0,0|0,0,2]=4 182 B12R1.255 C1CSSC1CCCCC(=O)O D118666 [0,0,1,1,0,0|2,0,0]=4 183 B12R1.255 C1CSSC1CCCCC(=O)O D420534 [0,0,1,1,0,0|2,0,0]=4 184 B12R1.255 C1CSSC1CCCCC(=O)O L124685 [0,0,1,1,0,0|2,0,0]=4 185 B12R1.255 C1CSSC1CCCCC(=O)O R420885 [0,0,1,1,0,0|2,0,0]=4 186 B12R1.255 C1CSSC1CCCCC(=O)O T106640 [0,0,1,1,0,0|2,0,0]=4 187 B12R2.24 C1CCC2CC(=O)CCC2C1 B301259 [1,0,0,1,0,0|1,0,0]=3 188 B12R2.2918 C1CCC2(CC1)CC(=O)NC2 P160364 [0,0,0,1,1,0|2,0,0]=4 189 B12R2.2918 C1CCC2(CC1)OCC(=O)O2 P160682 [0,0,0,1,1,0|1,0,0]=3 190 B12R2.10 C1CCC(C1)C2CCCC2=O C107526 [0,0,0,1,1,0|0,0,0]=2 191 B10R0.83 CCCCCC(C(=O)NC)N P303210 [0,0,1,0,1,0|2,0,0]=4 192 B10R1.16 CCCCC1CCC(=O)O1 O117514 [1,0,0,0,1,0|0,0,0]=2 193 B10R1.29 C1CC(=O)N(C1)CCCN A343191 [1,0,0,0,1,0|2,0,0]=4 194 B10R1.29 C1CC(=O)N(C1)CCCO H124556 [1,0,0,0,1,0|2,0,0]=4 195 B10R1.29 CCCCN1CCCC1=O B124554 [1,0,0,0,1,0|1,0,0]=3 196 B10R1.21 C1CC(OC1)COCCO T121212 [1,0,0,0,1,0|2,0,0]=4 197 B10R1.21 C1COC(O1)CCCCCl C189927 [1,0,0,0,1,0|2,0,0]=4