0 B8R0.7 B(CCCCCC)(O)O H299977 [0,0,0,0,0,0|1,0,3]=4 1 B8R0.7 C#CCCCCC(=O)O H107741 [0,0,0,0,0,0|0,0,4]=4 2 B8R0.7 C(CCC(=O)Cl)CCBr B152054 [0,0,0,0,0,0|2,0,2]=4 3 B8R0.7 C(CCC(=O)Cl)CCCl C468097 [0,0,0,0,0,0|2,0,2]=4 4 B8R0.7 C(CCC(=O)N)CCBr B185341 [0,0,0,0,0,0|2,0,2]=4 5 B8R0.7 C(CCC(=O)O)CCBr B104555 [0,0,0,0,0,0|1,0,2]=3 6 B8R0.7 C(CCC(=O)O)CCCl C121729 [0,0,0,0,0,0|1,0,2]=3 7 B8R0.7 C(CCC(=O)O)CCN A306000 [0,0,0,0,0,0|1,0,2]=3 8 B8R0.7 C(CCC(=O)O)CCN A433060 [0,0,0,0,0,0|1,0,2]=3 9 B8R0.7 C(CCC(=O)O)CCO H302536 [0,0,0,0,0,0|1,0,2]=3 10 B8R0.7 C(CCC(=O)O)CCS M292991 [0,0,0,0,0,0|1,0,2]=3 11 B8R0.7 C(CCC(=O)O)CCS M345400 [0,0,0,0,0,0|1,0,2]=3 12 B8R0.7 C(CCC(=O)[O-])CCO P192074 [0,0,0,0,0,0|1,0,3]=4 13 B8R0.7 C(CN)CNCC(=O)O N159195 [0,0,0,0,0,0|2,0,1]=3 14 B8R0.7 C(CNCC(=O)O)C#N N159829 [0,0,0,0,0,0|2,0,2]=4 15 B8R0.7 C(COCCN)C(=O)O A412738 [0,0,0,0,0,0|2,0,2]=4 16 B8R0.7 CC(=O)NCCCCN I168071 [0,0,0,0,0,0|3,0,1]=4 17 B8R0.7 CC(=O)NCCCCN N159176 [0,0,0,0,0,0|3,0,1]=4 18 B8R0.7 CC(=O)OCCCCBr B136623 [0,0,0,0,0,0|3,0,1]=4 19 B8R0.7 CC(=O)OCCCCCl C133987 [0,0,0,0,0,0|3,0,1]=4 20 B8R0.7 CC(=O)OCCCCI I476998 [0,0,0,0,0,0|3,0,1]=4 21 B8R0.7 CC(=O)OCCCSC M157982 [0,0,0,0,0,0|3,0,1]=4 22 B8R0.7 CCCC=CCC(=O)O H303362 [0,0,0,0,0,0|0,0,2]=2 23 B8R0.7 CCCCC#CC(=O)O H157081 [0,0,0,0,0,0|0,0,2]=2 24 B8R0.7 CCCCC=CC(=O)C O100829 [0,0,0,0,0,0|1,0,0]=1 25 B8R0.7 CCCCC=CC(=O)O H305279 [0,0,0,0,0,0|0,0,0]=0 26 B8R0.7 CCCCCCC(=O)C O111186 [0,0,0,0,0,0|1,0,2]=3 27 B8R0.7 CCCCCCC(=O)C O111187 [0,0,0,0,0,0|1,0,2]=3 28 B8R0.7 CCCCCCC(=O)Cl H102418 [0,0,0,0,0,0|1,0,2]=3 29 B8R0.7 CCCCCCC(=O)O H103518 [0,0,0,0,0,0|0,0,2]=2 30 B8R0.7 CCCCCCC(=O)O H103519 [0,0,0,0,0,0|0,0,2]=2 31 B8R0.7 CCCCCCC(=O)O H103520 [0,0,0,0,0,0|0,0,2]=2 32 B8R0.7 CCCCCCC(=O)O H431469 [0,0,0,0,0,0|0,0,2]=2 33 B8R0.7 CCCCCCC(=O)[O-] S161315 [0,0,0,0,0,0|0,0,3]=3 34 B8R0.7 CCCCCCC(C)O O111525 [0,0,0,0,0,0|1,0,3]=4 35 B8R0.7 CCCCCCC(C)O O111526 [0,0,0,0,0,0|1,0,3]=4 36 B8R0.7 CCCCCCC(C)O O111527 [0,0,0,0,0,0|1,0,3]=4 37 B8R0.7 CCCCCCC(C)O O111528 [0,0,0,0,0,0|1,0,3]=4 38 B8R0.7 CCCCCCC(C)O R160889 [0,0,0,0,0,0|1,0,3]=4 39 B8R0.7 CCCCCCC(C)O S161171 [0,0,0,0,0,0|1,0,3]=4 40 B8R0.7 CCCCCOC(=O)C A103450 [0,0,0,0,0,0|2,0,1]=3 41 B8R0.7 CCCCCOC(=O)C A103451 [0,0,0,0,0,0|2,0,1]=3 42 B8R0.7 CCCCCOC(=O)C A103452 [0,0,0,0,0,0|2,0,1]=3 43 B8R0.7 CCCCCOC(=O)Cl A139129 [0,0,0,0,0,0|2,0,1]=3 44 B8R0.7 CCCCCOC(=S)[S-] P160308 [0,0,0,0,0,0|1,2,1]=4 45 B8R0.7 CCCCCO[N+](=O)[O-] A165297 [0,0,0,0,0,0|2,0,2]=4 46 B8R0.7 CCCCOCC(=O)O B152317 [0,0,0,0,0,0|1,0,1]=2 47 B8R0.7 CCCCOCC(C)O B151801 [0,0,0,0,0,0|2,0,2]=4 48 B8R0.7 CCOCCOC(=O)C E105181 [0,0,0,0,0,0|3,0,1]=4 49 B8R0.7 CCOCCOC(=O)C E105183 [0,0,0,0,0,0|3,0,1]=4 50 B8R0.7 CCOCCOC(=O)C E105184 [0,0,0,0,0,0|3,0,1]=4 51 B8R0.7 COCCOCC(=O)O M138320 [0,0,0,0,0,0|2,0,1]=3 52 B7R0.1 CCC=CC=CC=O H102914 [1,0,0,0,0,0|0,0,2]=3 53 B7R0.1 CCC=CCCCO C153484 [1,0,0,0,0,0|2,0,1]=4 54 B7R0.1 CCCC=CCCO C332847 [1,0,0,0,0,0|0,0,3]=4 55 B7R0.1 CCCCC=CC=O T161484 [1,0,0,0,0,0|0,0,0]=1 56 B7R0.1 CCCCC=CCC C153584 [1,0,0,0,0,0|1,0,1]=3 57 B7R0.1 CCCCC=CCC T161817 [1,0,0,0,0,0|1,0,1]=3 58 B7R0.1 CCCCC=CCO T161435 [1,0,0,0,0,0|0,0,1]=2 59 B7R0.1 CCCCCC=CC C153583 [1,0,0,0,0,0|1,0,1]=3 60 B7R0.1 CCCCCC=CC O159996 [1,0,0,0,0,0|1,0,1]=3 61 B7R0.1 CCCCCC=CC T161814 [1,0,0,0,0,0|1,0,1]=3 62 B7R0.1 CCCCCCC=C O108659 [1,0,0,0,0,0|1,0,2]=4 63 B7R0.1 CCCCCCC=C O108660 [1,0,0,0,0,0|1,0,2]=4 64 B7R0.1 CCCCCCC=O H105934 [1,0,0,0,0,0|0,0,2]=3 65 B7R0.1 CCCCCCC=O H105935 [1,0,0,0,0,0|0,0,2]=3 66 B7R0.1 CCCCCCCO H108210 [1,0,0,0,0,0|0,0,3]=4 67 B7R0.1 CCCCCCCO H108211 [1,0,0,0,0,0|0,0,3]=4 68 B7R0.1 CCCCCCCO H108212 [1,0,0,0,0,0|0,0,3]=4 69 B7R0.1 CCCCCN=C=O P352487 [1,0,0,0,0,0|1,0,2]=4 70 B7R0.1 CCCCCOC=O A151451 [1,0,0,0,0,0|1,0,1]=3 71 B7R0.1 CCCCCON=O A151126 [1,0,0,0,0,0|2,0,1]=4 72 B7R0.1 CCCCNCCO B140397 [1,0,0,0,0,0|1,0,2]=4 73 B7R0.1 CCCCNCCO B299088 [1,0,0,0,0,0|1,0,2]=4 74 B7R0.1 CCCCOCC=C A151096 [1,0,0,0,0,0|2,0,1]=4 75 B7R0.1 CCCCOCCO E110823 [1,0,0,0,0,0|1,0,2]=4 76 B7R0.1 CCCCOCCO E110827 [1,0,0,0,0,0|1,0,2]=4 77 B7R0.4 B(CCCCC)(O)O N193507 [1,0,0,0,0,0|1,0,2]=4 78 B7R0.4 C#CCCCC(=O)O H111132 [1,0,0,0,0,0|0,0,3]=4 79 B7R0.4 C(CC#N)CC(=O)O C184246 [1,0,0,0,0,0|1,0,2]=4 80 B7R0.4 C(CCBr)CC(=O)Cl B138857 [1,0,0,0,0,0|2,0,1]=4 81 B7R0.4 C(CCBr)CC(=O)O B106966 [1,0,0,0,0,0|1,0,1]=3 82 B7R0.4 C(CCCl)CC(=O)Cl C102473 [1,0,0,0,0,0|2,0,1]=4 83 B7R0.4 C(CCCl)CC(=O)O C153468 [1,0,0,0,0,0|1,0,1]=3 84 B7R0.4 C(CCN)CC(=O)O A107493 [1,0,0,0,0,0|1,0,1]=3 85 B7R0.4 C(CCN)CC(=O)O A151151 [1,0,0,0,0,0|1,0,1]=3 86 B7R0.4 C(CCN)CC(=O)O A151349 [1,0,0,0,0,0|1,0,1]=3 87 B7R0.4 C(CCN)CC(=O)O A491891 [1,0,0,0,0,0|1,0,1]=3 88 B7R0.4 C(CCN)CC(=O)O A491894 [1,0,0,0,0,0|1,0,1]=3 89 B7R0.4 C(CCO)CC(=O)[O-] H184096 [1,0,0,0,0,0|1,0,2]=4 90 B7R0.4 C(CNCC(=O)O)N A124646 [1,0,0,0,0,0|2,0,1]=4 91 B7R0.4 C=CCCCC(=O)O H157078 [1,0,0,0,0,0|0,0,3]=4 92 B7R0.4 CC(=O)CCCCCl C108058 [1,0,0,0,0,0|2,0,1]=4 93 B7R0.4 CC(=O)OCCCCl C135233 [1,0,0,0,0,0|3,0,0]=4 94 B7R0.4 CC(=O)OCCOC M106167 [1,0,0,0,0,0|3,0,0]=4 95 B7R0.4 CC(=O)SCCCBr B333089 [1,0,0,0,0,0|3,0,0]=4 96 B7R0.4 CC=CC=CC(=O)C H156931 [1,0,0,0,0,0|1,0,2]=4 97 B7R0.4 CC=CC=CC(=O)O H431430 [1,0,0,0,0,0|0,0,2]=3 98 B7R0.4 CC=CC=CC(=O)O S101106 [1,0,0,0,0,0|0,0,2]=3 99 B7R0.4 CC=CC=CC(=O)O S101108 [1,0,0,0,0,0|0,0,2]=3 100 B7R0.4 CC=CC=CC(=O)O S101109 [1,0,0,0,0,0|0,0,2]=3 101 B7R0.4 CC=CC=CC(=O)O S101111 [1,0,0,0,0,0|0,0,2]=3 102 B7R0.4 CC=CC=CC(=O)O S420601 [1,0,0,0,0,0|0,0,2]=3 103 B7R0.4 CC=CC=CC(=O)[O-] P103845 [1,0,0,0,0,0|0,0,3]=4 104 B7R0.4 CC=CC=CC(=O)[O-] P103846 [1,0,0,0,0,0|0,0,3]=4 105 B7R0.4 CC=CC=CC(=O)[O-] P103847 [1,0,0,0,0,0|0,0,3]=4 106 B7R0.4 CC=CC=CC(=O)[O-] P422842 [1,0,0,0,0,0|0,0,3]=4 107 B7R0.4 CC=CC=CC(=O)[O-] S161310 [1,0,0,0,0,0|0,0,3]=4 108 B7R0.4 CCC=CCC(=O)O H101494 [1,0,0,0,0,0|0,0,2]=3 109 B7R0.4 CCCC=CC(=O)C H156932 [1,0,0,0,0,0|1,0,0]=2 110 B7R0.4 CCCC=CC(=O)O H107513 [1,0,0,0,0,0|0,0,0]=1 111 B7R0.4 CCCC=CC(=O)O H400070 [1,0,0,0,0,0|0,0,0]=1 112 B7R0.4 CCCCCC(=C)C M158504 [1,0,0,0,0,0|2,0,1]=4 113 B7R0.4 CCCCCC(=O)C H103803 [1,0,0,0,0,0|1,0,1]=3 114 B7R0.4 CCCCCC(=O)C H103827 [1,0,0,0,0,0|1,0,1]=3 115 B7R0.4 CCCCCC(=O)Cl H102419 [1,0,0,0,0,0|1,0,1]=3 116 B7R0.4 CCCCCC(=O)Cl H130076 [1,0,0,0,0,0|1,0,1]=3 117 B7R0.4 CCCCCC(=O)N H157108 [1,0,0,0,0,0|1,0,1]=3 118 B7R0.4 CCCCCC(=O)O H103630 [1,0,0,0,0,0|0,0,1]=2 119 B7R0.4 CCCCCC(=O)O H103631 [1,0,0,0,0,0|0,0,1]=2 120 B7R0.4 CCCCCC(=O)O H103632 [1,0,0,0,0,0|0,0,1]=2 121 B7R0.4 CCCCCC(=O)O H278778 [1,0,0,0,0,0|0,0,1]=2 122 B7R0.4 CCCCCC(=O)O H432079 [1,0,0,0,0,0|0,0,1]=2 123 B7R0.4 CCCCCC(=O)[O-] S161313 [1,0,0,0,0,0|0,0,2]=3 124 B7R0.4 CCCCCC(C)O H100747 [1,0,0,0,0,0|1,0,2]=4 125 B7R0.4 CCCCCC(C)O I137289 [1,0,0,0,0,0|1,0,2]=4 126 B7R0.4 CCCCNC(=O)N B152704 [1,0,0,0,0,0|2,0,0]=3 127 B7R0.4 CCCCNC(=S)N B181673 [1,0,0,0,0,0|2,1,0]=4 128 B7R0.4 CCCCOC(=O)C B116224 [1,0,0,0,0,0|2,0,0]=3 129 B7R0.4 CCCCOC(=O)C B116225 [1,0,0,0,0,0|2,0,0]=3 130 B7R0.4 CCCCOC(=O)C B116227 [1,0,0,0,0,0|2,0,0]=3 131 B7R0.4 CCCCOC(=O)C B116228 [1,0,0,0,0,0|2,0,0]=3 132 B7R0.4 CCCCOC(=O)C B119685 [1,0,0,0,0,0|2,0,0]=3 133 B7R0.4 CCCCOC(=O)N B152422 [1,0,0,0,0,0|2,0,0]=3 134 B7R0.4 CCCCOC(=S)[S-] P160349 [1,0,0,0,0,0|1,2,0]=4 135 B7R0.4 CCCCO[N+](=O)[O-] N334844 [1,0,0,0,0,0|2,0,1]=4 136 B7R0.4 CCOC=CC(=O)O E185593 [1,0,0,0,0,0|1,0,0]=2 137 B7R0.4 CCOCCC(=O)C E156453 [1,0,0,0,0,0|2,0,1]=4 138 B7R0.4 CCOCCC(=O)O E156172 [1,0,0,0,0,0|1,0,1]=3 139 B7R0.4 CNCCCC(=O)O M276212 [1,0,0,0,0,0|1,0,1]=3 140 B7R0.4 CNCCCC(=O)O M397624 [1,0,0,0,0,0|1,0,1]=3 141 B7R0.4 COCC=CC(=O)O E589767 [1,0,0,0,0,0|1,0,0]=2 142 B7R0.4 COCCCC(=O)O M192558 [1,0,0,0,0,0|1,0,1]=3 143 B7R0.4 COCCOC(=O)Cl M158778 [1,0,0,0,0,0|3,0,0]=4 144 B7R0.4 [CH]CCCCC(=O)[N] P111447 [1,0,0,0,0,0|1,0,2]=4 145 B7R0.4 [CH]CCCCC(=O)[N] P128923 [1,0,0,0,0,0|1,0,2]=4 146 B9R0.2 B(C=CCCCCC)(O)O E334496 [0,1,0,0,0,0|1,0,1]=3 147 B9R0.2 C#CCCCCCC(=O)O O491862 [0,1,0,0,0,0|0,0,3]=4 148 B9R0.2 C(CCCBr)CCC(=O)O B138642 [0,1,0,0,0,0|0,0,2]=3 149 B9R0.2 C(CCCN)CCC(=O)O A151309 [0,1,0,0,0,0|0,0,2]=3 150 B9R0.2 C(CCCN)CCC(=O)O A334272 [0,1,0,0,0,0|0,0,2]=3 151 B9R0.2 C(CCCO)CCC(=O)O H334249 [0,1,0,0,0,0|0,0,2]=3 152 B9R0.2 C(CCCO)CCC(=O)[O-] H333362 [0,1,0,0,0,0|0,0,3]=4 153 B9R0.2 C=CCCCCCC(=O)O O168152 [0,1,0,0,0,0|0,0,3]=4 154 B9R0.2 CC(=O)NCCCCCN N159177 [0,1,0,0,0,0|2,0,1]=4 155 B9R0.2 CC(=O)NCCCCCN N423313 [0,1,0,0,0,0|2,0,1]=4 156 B9R0.2 CC(=O)OCCCCCBr B152865 [0,1,0,0,0,0|2,0,1]=4 157 B9R0.2 CCCC=CCOC(=O)C H117236 [0,1,0,0,0,0|1,0,2]=4 158 B9R0.2 CCCCCC#CC(=O)O B301308 [0,1,0,0,0,0|0,0,2]=3 159 B9R0.2 CCCCCC=CC(=O)C N302867 [0,1,0,0,0,0|1,0,0]=2 160 B9R0.2 CCCCCC=CC(=O)O T162199 [0,1,0,0,0,0|0,0,0]=1 161 B9R0.2 CCCCCC=CC(=O)O T422289 [0,1,0,0,0,0|0,0,0]=1 162 B9R0.2 CCCCCCCC(=O)C N105585 [0,1,0,0,0,0|1,0,2]=4 163 B9R0.2 CCCCCCCC(=O)Cl O101697 [0,1,0,0,0,0|1,0,2]=4 164 B9R0.2 CCCCCCCC(=O)N N159412 [0,1,0,0,0,0|1,0,2]=4 165 B9R0.2 CCCCCCCC(=O)O N421038 [0,1,0,0,0,0|0,0,2]=3 166 B9R0.2 CCCCCCCC(=O)O O108276 [0,1,0,0,0,0|0,0,2]=3 167 B9R0.2 CCCCCCCC(=O)O O108277 [0,1,0,0,0,0|0,0,2]=3 168 B9R0.2 CCCCCCCC(=O)O O108278 [0,1,0,0,0,0|0,0,2]=3 169 B9R0.2 CCCCCCCC(=O)O O108279 [0,1,0,0,0,0|0,0,2]=3 170 B9R0.2 CCCCCCCC(=O)O O431649 [0,1,0,0,0,0|0,0,2]=3 171 B9R0.2 CCCCCCCC(=O)O R113304 [0,1,0,0,0,0|0,0,2]=3 172 B9R0.2 CCCCCCCC(=O)[O-] L340331 [0,1,0,0,0,0|0,0,3]=4 173 B9R0.2 CCCCCCCC(=O)[O-] S113206 [0,1,0,0,0,0|0,0,3]=4 174 B9R0.2 CCCCCCCC(=O)[O-] S117847 [0,1,0,0,0,0|0,0,3]=4 175 B9R0.2 CCCCCCCC(=O)[O-] S491233 [0,1,0,0,0,0|0,0,3]=4 176 B9R0.2 CCCCCCOC(=O)C H111061 [0,1,0,0,0,0|1,0,2]=4 177 B9R0.2 CCCCCCOC(=O)C H111062 [0,1,0,0,0,0|1,0,2]=4 178 B9R0.2 CCCCCCOC(=O)C H111063 [0,1,0,0,0,0|1,0,2]=4 179 B9R0.2 CCCCCCOC(=O)Cl H139072 [0,1,0,0,0,0|1,0,2]=4 180 B9R0.2 COCCCCCC(=O)O M170253 [0,1,0,0,0,0|0,0,2]=3 181 B9R0.4 CCCCC(CC(=O)O)N A165644 [0,1,0,0,0,0|0,0,2]=3 182 B9R0.4 CCCOC(=O)CC(=O)C P160059 [0,1,0,0,0,0|2,0,1]=4 183 B9R0.38 CCCCCCP(=O)(O)O H157410 [0,1,0,0,0,0|1,0,2]=4 184 B9R0.46 CCCCCCC(=O)CC N158994 [0,1,0,0,0,0|1,0,2]=4 185 B9R0.46 CCCCCCC(=O)OC M158054 [0,1,0,0,0,0|0,0,2]=3 186 B9R0.46 CCCCCCC(=O)OC M158149 [0,1,0,0,0,0|0,0,2]=3 187 B9R0.46 CCCCCOC(=O)C=C P588632 [0,1,0,0,0,0|2,0,1]=4 188 B9R0.46 CCCCCOC(=O)CC P137733 [0,1,0,0,0,0|2,0,1]=4 189 B9R0.46 COC(=O)CCCCCN M138421 [0,1,0,0,0,0|1,0,2]=4 190 B9R0.47 C(CCN)CC(C(=O)O)N D139442 [0,1,0,0,0,0|1,0,2]=4 191 B9R0.47 C(CCN)CC(C(=O)O)N D352421 [0,1,0,0,0,0|1,0,2]=4 192 B9R0.47 C(CCN)CC(C(=O)O)N D420109 [0,1,0,0,0,0|1,0,2]=4 193 B9R0.47 C(CCN)CC(C(=O)O)N L103479 [0,1,0,0,0,0|1,0,2]=4 194 B9R0.47 C(CCN)CC(C(=O)O)N L105432 [0,1,0,0,0,0|1,0,2]=4 195 B9R0.47 C(CCN)CC(C(=O)O)N L109219 [0,1,0,0,0,0|1,0,2]=4 196 B9R0.47 C(CCN)CC(C(=O)O)N L111313 [0,1,0,0,0,0|1,0,2]=4 197 B9R0.47 C(CCN)CC(C(=O)O)N L113005 [0,1,0,0,0,0|1,0,2]=4 198 B9R0.47 C(CCN)CC(C(=O)O)N L113006 [0,1,0,0,0,0|1,0,2]=4 199 B9R0.47 C(CCN)CC(C(=O)O)N L116990 [0,1,0,0,0,0|1,0,2]=4 200 B9R0.47 C(CCN)CC(C(=O)O)N L117216 [0,1,0,0,0,0|1,0,2]=4 201 B9R0.47 C(CCN)CC(C(=O)O)N L192467 [0,1,0,0,0,0|1,0,2]=4 202 B9R0.47 C(CCN)CC(C(=O)O)N L424803 [0,1,0,0,0,0|1,0,2]=4 203 B9R0.47 C(CCN)CC(C(=O)O)N L425318 [0,1,0,0,0,0|1,0,2]=4 204 B9R0.47 C(CCN)CC(C(=O)O)N L478519 [0,1,0,0,0,0|1,0,2]=4 205 B9R0.47 C(CCN)CC(C(=O)O)N L598932 [0,1,0,0,0,0|1,0,2]=4 206 B9R0.47 C(CCN)CC(C(=O)O)N P477773 [0,1,0,0,0,0|1,0,2]=4 207 B9R0.47 C(CCN)CC(C(=O)O)N P477795 [0,1,0,0,0,0|1,0,2]=4 208 B9R0.47 C(CCN)CC(C(=O)O)N P477809 [0,1,0,0,0,0|1,0,2]=4 209 B9R0.47 C(CCN)CC(C(=O)O)N S133419 [0,1,0,0,0,0|1,0,2]=4 210 B9R0.47 C(CCN)CC(C(=O)O)N S161260 [0,1,0,0,0,0|1,0,2]=4 211 B9R0.47 C(CCN)CC(C(=O)O)N S193835 [0,1,0,0,0,0|1,0,2]=4 212 B9R0.47 CCCCCC(=O)C(=O)C O589566 [0,1,0,0,0,0|1,0,1]=3 213 B9R0.47 CCCCCC(C(=O)O)N D137428 [0,1,0,0,0,0|0,0,2]=3 214 B9R0.47 CCCCCC(C(=O)O)N S193453 [0,1,0,0,0,0|0,0,2]=3 215 B9R0.47 CCCCCC(C)C(=O)O M102645 [0,1,0,0,0,0|0,0,2]=3 216 B9R0.47 CCCCOC(=O)C(=C)C B110902 [0,1,0,0,0,0|3,0,0]=4 217 B9R0.47 CCCCOC(=O)C(=C)C B110903 [0,1,0,0,0,0|3,0,0]=4 218 B9R0.47 CCCCOC(=O)C(=C)C B110904 [0,1,0,0,0,0|3,0,0]=4 219 B9R0.47 CCCCOC(=O)C(C)O B111190 [0,1,0,0,0,0|2,0,1]=4 220 B9R0.47 CCCCOC(=O)C(C)O B303494 [0,1,0,0,0,0|2,0,1]=4 221 B9R0.47 CCSCCC(C(=O)O)N E117217 [0,1,0,0,0,0|1,0,2]=4 222 B9R0.47 CCSCCC(C(=O)O)N E117218 [0,1,0,0,0,0|1,0,2]=4 223 B9R0.48 CCOC(=O)C=CC(=O)Cl E131474 [0,1,0,0,0,0|2,0,1]=4 224 B9R0.48 CCOC(=O)C=CC(=O)O M157991 [0,1,0,0,0,0|1,0,1]=3 225 B9R0.48 CCOC(=O)C=CC(=O)O Z135126 [0,1,0,0,0,0|1,0,1]=3 226 B9R0.55 CC(=O)CCCCC(=O)O O135071 [0,1,0,0,0,0|0,0,3]=4 227 B9R0.55 CC(C)CCCCC(=O)O M304994 [0,1,0,0,0,0|0,0,2]=3 228 B9R1.2 CCC1=CC(=CC=C1)O E156226 [0,0,0,1,0,0|1,0,2]=4 229 B9R1.2 CC[N+]1=CC=CC(=C1)O E472644 [0,0,0,1,0,0|2,0,1]=4 230 B9R1.6 B(C1=CCCCC1)(O)O C136934 [0,0,0,1,0,0|1,0,1]=3 231 B9R1.6 C1CC(CNC1)C(=O)O P113283 [0,0,0,1,0,0|1,0,2]=4 232 B9R1.6 C1CC(CNC1)C(=O)O P119071 [0,0,0,1,0,0|1,0,2]=4 233 B9R1.6 C1CC(CNC1)C(=O)O P119075 [0,0,0,1,0,0|1,0,2]=4 234 B9R1.6 C1CC(CNC1)C(=O)O R195578 [0,0,0,1,0,0|1,0,2]=4 235 B9R1.6 C1CCC(=CC1)C(=O)O C106976 [0,0,0,1,0,0|0,0,0]=1 236 B9R1.6 C1CCC(CC1)C(=O)Cl B115115 [0,0,0,1,0,0|1,0,2]=4 237 B9R1.6 C1CCC(CC1)C(=O)N C131942 [0,0,0,1,0,0|1,0,2]=4 238 B9R1.6 C1CCC(CC1)C(=O)O C110756 [0,0,0,1,0,0|0,0,2]=3 239 B9R1.6 C1CCN(CC1)C(=O)Cl P468726 [0,0,0,1,0,0|2,0,1]=4 240 B9R1.6 C1CCNC(C1)C(=O)N P160119 [0,0,0,1,0,0|2,0,1]=4 241 B9R1.6 C1CCNC(C1)C(=O)O D331240 [0,0,0,1,0,0|1,0,1]=3 242 B9R1.6 C1CCNC(C1)C(=O)O D358401 [0,0,0,1,0,0|1,0,1]=3 243 B9R1.6 C1CCNC(C1)C(=O)O D424577 [0,0,0,1,0,0|1,0,1]=3 244 B9R1.6 C1CCNC(C1)C(=O)O H100528 [0,0,0,1,0,0|1,0,1]=3 245 B9R1.6 C1CCNC(C1)C(=O)O P101393 [0,0,0,1,0,0|1,0,1]=3 246 B9R1.6 C1CCNC(C1)C(=O)O P106214 [0,0,0,1,0,0|1,0,1]=3 247 B9R1.6 C1CCNC(C1)C(=O)O S136371 [0,0,0,1,0,0|1,0,1]=3 248 B9R1.6 C1CCNC(C1)C(=O)O S192036 [0,0,0,1,0,0|1,0,1]=3 249 B9R1.6 C1CNC(CN1)C(=O)O P119067 [0,0,0,1,0,0|2,0,1]=4 250 B9R1.6 C1CNC(CN1)C(=O)O P119070 [0,0,0,1,0,0|2,0,1]=4 251 B9R1.6 C1CNC(CN1)C(=O)O P124229 [0,0,0,1,0,0|2,0,1]=4 252 B9R1.6 C1CNC(CN1)C(=O)O P124230 [0,0,0,1,0,0|2,0,1]=4 253 B9R1.6 C1CNCC(=C1)C(=O)O G579450 [0,0,0,1,0,0|1,0,0]=2 254 B9R1.6 C1CNCCC1C(=O)O I109586 [0,0,0,1,0,0|1,0,2]=4 255 B9R1.6 C1COC(CO1)C(=O)O D187857 [0,0,0,1,0,0|2,0,1]=4 256 B9R1.6 C1COC(CO1)C(=O)O S587772 [0,0,0,1,0,0|2,0,1]=4 257 B9R1.6 C1COCC(N1)C(=O)O M194498 [0,0,0,1,0,0|2,0,1]=4 258 B9R1.6 C1COCCC1C(=O)O T161847 [0,0,0,1,0,0|1,0,2]=4 259 B9R1.6 C1CSCCC1C(=O)O T178063 [0,0,0,1,0,0|1,0,2]=4 260 B9R1.6 CC(=O)C1CCCCC1 C139296 [0,0,0,1,0,0|1,0,2]=4 261 B9R1.6 CC(=O)N1CCCCC1 A151604 [0,0,0,1,0,0|2,0,1]=4 262 B9R1.7 CCCC1CCC(=O)O1 H111340 [0,0,0,1,0,0|0,0,2]=3 263 B9R1.13 C1CC(NC1)CC(=O)O L465252 [0,0,0,1,0,0|1,0,2]=4 264 B9R1.13 C1CC(OC1)CC(=O)O T354856 [0,0,0,1,0,0|1,0,2]=4 265 B9R1.13 C1CCC(C1)CC(=O)O C113786 [0,0,0,1,0,0|0,0,2]=3 266 B9R1.13 C1CCC(C1)OC(=O)Cl C184850 [0,0,0,1,0,0|2,0,1]=4 267 B9R1.13 C1CCC(C1)OC(=O)Cl C299675 [0,0,0,1,0,0|2,0,1]=4 268 B9R1.13 C1CCN(C1)CC(=O)O P345179 [0,0,0,1,0,0|1,0,1]=3 269 B9R1.41 C1CNC(C1O)C(=O)O S176477 [0,0,0,1,0,0|2,0,1]=4 270 B9R1.41 CC1=C(C=CN1)C(=O)O M169971 [0,0,0,1,0,0|1,0,2]=4 271 B9R1.41 CC1=C(C=CO1)C(=O)O M420052 [0,0,0,1,0,0|1,0,2]=4 272 B9R1.41 CC1=C(C=NN1)C(=O)O M170200 [0,0,0,1,0,0|2,0,1]=4 273 B9R1.41 CC1=C(C=NO1)C(=O)O M101982 [0,0,0,1,0,0|2,0,1]=4 274 B9R1.41 CC1=NOC=C1C(=O)O M123592 [0,0,0,1,0,0|2,0,1]=4 275 B9R1.41 CN1C(=CC=N1)C(=O)O M158359 [0,0,0,1,0,0|2,0,1]=4 276 B9R1.41 CN1C=CC=C1C(=O)O M123147 [0,0,0,1,0,0|1,0,2]=4 277 B9R1.41 CN1C=NC=C1C(=O)O M119409 [0,0,0,1,0,0|2,0,1]=4 278 B9R1.41 CN1CCCC1C(=O)O M101560 [0,0,0,1,0,0|1,0,2]=4 279 B9R1.41 CN1CCCC1C(=O)O N170507 [0,0,0,1,0,0|1,0,2]=4 280 B9R1.50 C1CCCC(=O)CCC1 C106984 [0,0,0,1,0,0|1,0,2]=4 281 B9R1.50 C1CCCNC(=O)CC1 O159930 [0,0,0,1,0,0|1,0,2]=4 282 B6R0.6 C=CCCCCBr B122541 [2,0,0,0,0,0|1,0,1]=4 283 B6R0.6 C=CCCCCCl C115790 [2,0,0,0,0,0|1,0,1]=4 284 B6R0.6 C=CCCCCO H113637 [2,0,0,0,0,0|1,0,1]=4 285 B6R0.6 CC=CC=CC=O H156882 [2,0,0,0,0,0|0,0,2]=4 286 B6R0.6 CC=CCCCO H300983 [2,0,0,0,0,0|1,0,1]=4 287 B6R0.6 CCCC=CC=O H107633 [2,0,0,0,0,0|0,0,0]=2 288 B6R0.6 CCCC=CC=O T425385 [2,0,0,0,0,0|0,0,0]=2 289 B6R0.6 CCCC=CCO C153482 [2,0,0,0,0,0|0,0,1]=3 290 B6R0.6 CCCC=CCO H102077 [2,0,0,0,0,0|0,0,1]=3 291 B6R0.6 CCCCCC=C H110653 [2,0,0,0,0,0|0,0,1]=3 292 B6R0.6 CCCCCC=C H110654 [2,0,0,0,0,0|0,0,1]=3 293 B6R0.6 CCCCCC=C H110655 [2,0,0,0,0,0|0,0,1]=3 294 B6R0.6 CCCCCC=O C109199 [2,0,0,0,0,0|0,0,1]=3 295 B6R0.6 CCCCCC=O C109200 [2,0,0,0,0,0|0,0,1]=3 296 B6R0.6 CCCCCCO H103420 [2,0,0,0,0,0|0,0,2]=4 297 B6R0.6 CCCCCCO H103421 [2,0,0,0,0,0|0,0,2]=4 298 B6R0.6 CCCCCCO H103422 [2,0,0,0,0,0|0,0,2]=4 299 B6R0.6 CCCCCCO H103423 [2,0,0,0,0,0|0,0,2]=4 300 B6R0.6 CCCCCCO H119678 [2,0,0,0,0,0|0,0,2]=4 301 B6R0.6 CCCCOC=C B123186 [2,0,0,0,0,0|1,0,0]=3 302 B6R0.6 CCCCOC=C B123187 [2,0,0,0,0,0|1,0,0]=3 303 B6R0.6 CCCCOC=O B109260 [2,0,0,0,0,0|1,0,0]=3 304 B6R0.6 CCCCOC=O B109261 [2,0,0,0,0,0|1,0,0]=3 305 B6R0.6 CCCCON=O B134686 [2,0,0,0,0,0|2,0,0]=4 306 B6R0.6 CCCSCC=C A135608 [2,0,0,0,0,0|1,0,1]=4 307 B6R0.4 B(CCCC)(O)O B101013 [2,0,0,0,0,0|1,0,1]=4 308 B6R0.4 C#CCCC(=O)O P133515 [2,0,0,0,0,0|0,0,2]=4 309 B6R0.4 C(C=CC(=O)O)Br B152770 [2,0,0,0,0,0|1,0,0]=3 310 B6R0.4 C(C=CC(=O)O)O T341890 [2,0,0,0,0,0|1,0,0]=3 311 B6R0.4 C(CC(=O)Cl)CBr B102197 [2,0,0,0,0,0|2,0,0]=4 312 B6R0.4 C(CC(=O)Cl)CCl C109449 [2,0,0,0,0,0|2,0,0]=4 313 B6R0.4 C(CC(=O)N)CCl C168978 [2,0,0,0,0,0|2,0,0]=4 314 B6R0.4 C(CC(=O)O)C#N C191241 [2,0,0,0,0,0|1,0,1]=4 315 B6R0.4 C(CC(=O)O)CBr B106907 [2,0,0,0,0,0|1,0,0]=3 316 B6R0.4 C(CC(=O)O)CCl C134513 [2,0,0,0,0,0|1,0,0]=3 317 B6R0.4 C(CC(=O)O)CN A104200 [2,0,0,0,0,0|1,0,0]=3 318 B6R0.4 C(CC(=O)O)CN A293557 [2,0,0,0,0,0|1,0,0]=3 319 B6R0.4 C(CC(=O)O)CN A424756 [2,0,0,0,0,0|1,0,0]=3 320 B6R0.4 C(CC(=O)O)CN A468499 [2,0,0,0,0,0|1,0,0]=3 321 B6R0.4 C(CC(=O)O)CN A472038 [2,0,0,0,0,0|1,0,0]=3 322 B6R0.4 C(CC(=O)O)CN G276591 [2,0,0,0,0,0|1,0,0]=3 323 B6R0.4 C(CN)C[P+](=O)O A275461 [2,0,0,0,0,0|2,0,0]=4 324 B6R0.4 C=CCCC(=O)O P160582 [2,0,0,0,0,0|0,0,2]=4 325 B6R0.4 CC(=O)C=COC M113467 [2,0,0,0,0,0|2,0,0]=4 326 B6R0.4 CC(=O)C=COC M434875 [2,0,0,0,0,0|2,0,0]=4 327 B6R0.4 CC(=O)CCCBr B345087 [2,0,0,0,0,0|2,0,0]=4 328 B6R0.4 CC(=O)CCCCl C108070 [2,0,0,0,0,0|2,0,0]=4 329 B6R0.4 CC(=O)CCSC M135087 [2,0,0,0,0,0|2,0,0]=4 330 B6R0.4 CC=CCC(=O)O P165142 [2,0,0,0,0,0|0,0,2]=4 331 B6R0.4 CCC#CC(=O)O P137286 [2,0,0,0,0,0|0,0,2]=4 332 B6R0.4 CCC=CC(=O)O T162309 [2,0,0,0,0,0|0,0,0]=2 333 B6R0.4 CCCCC(=N)N D305243 [2,0,0,0,0,0|2,0,0]=4 334 B6R0.4 CCCCC(=O)Br V162931 [2,0,0,0,0,0|1,0,0]=3 335 B6R0.4 CCCCC(=O)C H105743 [2,0,0,0,0,0|1,0,0]=3 336 B6R0.4 CCCCC(=O)C H105744 [2,0,0,0,0,0|1,0,0]=3 337 B6R0.4 CCCCC(=O)C H111491 [2,0,0,0,0,0|1,0,0]=3 338 B6R0.4 CCCCC(=O)C H141140 [2,0,0,0,0,0|1,0,0]=3 339 B6R0.4 CCCCC(=O)Cl V107241 [2,0,0,0,0,0|1,0,0]=3 340 B6R0.4 CCCCC(=O)N V162967 [2,0,0,0,0,0|1,0,0]=3 341 B6R0.4 CCCCC(=O)O V108269 [2,0,0,0,0,0|0,0,0]=2 342 B6R0.4 CCCCC(=O)O V108270 [2,0,0,0,0,0|0,0,0]=2 343 B6R0.4 CCCCC(=O)O V108271 [2,0,0,0,0,0|0,0,0]=2 344 B6R0.4 CCCCC(=O)O V108272 [2,0,0,0,0,0|0,0,0]=2 345 B6R0.4 CCCCC(=O)O V302252 [2,0,0,0,0,0|0,0,0]=2 346 B6R0.4 CCCCC(=O)[O-] S194180 [2,0,0,0,0,0|0,0,1]=3 347 B6R0.4 CCCCC(C)O H105565 [2,0,0,0,0,0|1,0,1]=4 348 B6R0.4 CCCCC(C)O I170762 [2,0,0,0,0,0|1,0,1]=4 349 B6R0.4 CCCCC(C)O R588494 [2,0,0,0,0,0|1,0,1]=4 350 B6R0.4 CCCC[N+](=O)[O-] N300420 [2,0,0,0,0,0|1,0,1]=4 351 B6R0.4 CCCC[Sn](=O)O M107696 [2,0,0,0,0,0|1,0,0]=3 352 B6R0.4 CCCNC(=O)N P589707 [2,0,0,0,0,0|2,0,0]=4 353 B6R0.4 CCCOC(=O)C P103882 [2,0,0,0,0,0|2,0,0]=4 354 B6R0.4 CCCOC(=O)C P103883 [2,0,0,0,0,0|2,0,0]=4 355 B6R0.4 CCCOC(=O)N P194271 [2,0,0,0,0,0|2,0,0]=4 356 B6R0.4 CCCSC(=O)C S161333 [2,0,0,0,0,0|2,0,0]=4 357 B6R0.4 CCNCC(=O)O N159193 [2,0,0,0,0,0|1,0,0]=3 358 B6R0.4 CCOCC(=O)Cl E293992 [2,0,0,0,0,0|2,0,0]=4 359 B6R0.4 CCOCC(=O)O E156174 [2,0,0,0,0,0|1,0,0]=3 360 B6R0.4 CCSCC(=O)O E300419 [2,0,0,0,0,0|1,0,0]=3 361 B6R0.4 CNCCC(=O)O M183299 [2,0,0,0,0,0|1,0,0]=3 362 B6R0.4 COCCC(=O)O M169065 [2,0,0,0,0,0|1,0,0]=3 363 B6R0.4 CSCCC(=O)Cl M158416 [2,0,0,0,0,0|2,0,0]=4 364 B6R0.4 CSCCC(=O)O M158072 [2,0,0,0,0,0|1,0,0]=3 365 B8R0.1 CCCC(C)COC=O M158009 [1,1,0,0,0,0|1,0,1]=4 366 B8R0.1 CCCCC(=O)C=CC O160046 [1,1,0,0,0,0|1,0,0]=3 367 B8R0.1 CCOC(=O)C=CC=O E189100 [1,1,0,0,0,0|1,0,1]=4 368 B8R0.4 C=CCCCC=CCO O159909 [1,1,0,0,0,0|0,0,2]=4 369 B8R0.4 CCC=CCCCCO C153379 [1,1,0,0,0,0|1,0,1]=4 370 B8R0.4 CCCCC=CCCO C153378 [1,1,0,0,0,0|0,0,1]=3 371 B8R0.4 CCCCCC=CC=O O105936 [1,1,0,0,0,0|0,0,0]=2 372 B8R0.4 CCCCCC=CC=O O303154 [1,1,0,0,0,0|0,0,0]=2 373 B8R0.4 CCCCCC=CCO T161811 [1,1,0,0,0,0|0,0,1]=3 374 B8R0.4 CCCCCCCC=O O106930 [1,1,0,0,0,0|0,0,2]=4 375 B8R0.4 CCCCCCCC=O O106931 [1,1,0,0,0,0|0,0,2]=4 376 B8R0.4 CCCCCCCC=O O345608 [1,1,0,0,0,0|0,0,2]=4 377 B8R0.4 CCCCCCOC=O H113684 [1,1,0,0,0,0|0,0,2]=4 378 B8R0.6 CCCCCC(=O)C=C O160047 [1,1,0,0,0,0|1,0,1]=4 379 B8R0.6 CCCCNC(=O)C=C N405436 [1,1,0,0,0,0|2,0,0]=4 380 B8R0.6 CCCCOC(=O)C=C B100034 [1,1,0,0,0,0|2,0,0]=4 381 B8R0.6 CCCCOC(=O)C=C B100035 [1,1,0,0,0,0|2,0,0]=4 382 B8R0.6 CCCCOC(=O)C=C B100036 [1,1,0,0,0,0|2,0,0]=4 383 B8R0.6 CCCCOC(=O)C=C B100037 [1,1,0,0,0,0|2,0,0]=4 384 B8R0.6 CCCCOC(=O)CO B134012 [1,1,0,0,0,0|1,0,1]=4 385 B8R0.6 CCCCOC(=O)CO B493056 [1,1,0,0,0,0|1,0,1]=4 386 B8R0.5 CCOC(=O)CC(=O)O M158864 [1,1,0,0,0,0|1,0,1]=4 387 B8R0.5 CCO\C(=C\C(=O)C)\[O-] A354450 [1,1,0,0,0,0|2,0,0]=4 388 B8R0.8 C(CC(C(=O)O)N)CN L350090 [1,1,0,0,0,0|1,0,1]=4 389 B8R0.8 C(CC(C(=O)O)N)CN L413185 [1,1,0,0,0,0|1,0,1]=4 390 B8R0.8 C(CC(C(=O)O)N)CN L423300 [1,1,0,0,0,0|1,0,1]=4 391 B8R0.8 C(CC(C(=O)O)N)CN L425600 [1,1,0,0,0,0|1,0,1]=4 392 B8R0.8 C(CC(C(=O)O)N)CN L432617 [1,1,0,0,0,0|1,0,1]=4 393 B8R0.8 C(CC(C(=O)O)N)CN O101048 [1,1,0,0,0,0|1,0,1]=4 394 B8R0.8 C(CC(C(=O)O)N)CN O108803 [1,1,0,0,0,0|1,0,1]=4 395 B8R0.8 C(CC(C(=O)O)N)CN S161189 [1,1,0,0,0,0|1,0,1]=4 396 B8R0.8 C(CC(C(=O)O)N)CN S161190 [1,1,0,0,0,0|1,0,1]=4 397 B8R0.8 C(CC(C(=O)O)N)CN S589622 [1,1,0,0,0,0|1,0,1]=4 398 B8R0.8 CCCCC(=O)C(=O)C H106591 [1,1,0,0,0,0|1,0,0]=3 399 B8R0.8 CCCCC(=O)C(=O)[O-] K471800 [1,1,0,0,0,0|0,0,1]=3 400 B8R0.8 CCCCC(C(=O)O)Br B152316 [1,1,0,0,0,0|0,0,1]=3 401 B8R0.8 CCCCC(C(=O)O)N L485252 [1,1,0,0,0,0|0,0,1]=3 402 B8R0.8 CCCCC(C(=O)O)N N105991 [1,1,0,0,0,0|0,0,1]=3 403 B8R0.8 CCCCC(C(=O)O)N N109230 [1,1,0,0,0,0|0,0,1]=3 404 B8R0.8 CCCCC(C(=O)O)N S136235 [1,1,0,0,0,0|0,0,1]=3 405 B8R0.8 CCCCC(C(=O)O)O H300379 [1,1,0,0,0,0|0,0,1]=3 406 B8R0.8 CCCCC(C(=O)O)O H425022 [1,1,0,0,0,0|0,0,1]=3 407 B8R0.8 CCCCC(C)C(=O)O M158388 [1,1,0,0,0,0|0,0,1]=3 408 B8R0.8 CCCCC(C)C(=O)O M424064 [1,1,0,0,0,0|0,0,1]=3 409 B8R0.8 CSCCC(C(=O)O)N D423548 [1,1,0,0,0,0|1,0,1]=4 410 B8R0.8 CSCCC(C(=O)O)N D424961 [1,1,0,0,0,0|1,0,1]=4 411 B8R0.8 CSCCC(C(=O)O)N L133003 [1,1,0,0,0,0|1,0,1]=4 412 B8R0.8 CSCCC(C(=O)O)N L425234 [1,1,0,0,0,0|1,0,1]=4 413 B8R0.8 CSCCC(C(=O)O)N M101130 [1,1,0,0,0,0|1,0,1]=4 414 B8R0.8 CSCCC(C(=O)O)N M101131 [1,1,0,0,0,0|1,0,1]=4 415 B8R0.8 CSCCC(C(=O)O)N M104886 [1,1,0,0,0,0|1,0,1]=4 416 B8R0.8 CSCCC(C(=O)O)N M109223 [1,1,0,0,0,0|1,0,1]=4 417 B8R0.8 CSCCC(C(=O)O)O H194065 [1,1,0,0,0,0|1,0,1]=4 418 B8R0.8 C[Se]CCC(C(=O)O)N L423306 [1,1,0,0,0,0|1,0,1]=4 419 B8R0.8 C[Se]CCC(C(=O)O)N S130045 [1,1,0,0,0,0|1,0,1]=4 420 B8R0.8 C[Se]CCC(C(=O)O)N S161192 [1,1,0,0,0,0|1,0,1]=4 421 B8R0.9 CCC(=CCC(=O)O)C M193916 [1,1,0,0,0,0|0,0,2]=4 422 B8R0.9 CCC(=O)CCC(=O)O O165944 [1,1,0,0,0,0|0,0,2]=4 423 B8R0.9 CCC(C)CCC(=O)O M138303 [1,1,0,0,0,0|0,0,1]=3 424 B8R0.9 CCC(C)COC(=O)C M111920 [1,1,0,0,0,0|2,0,0]=4 425 B8R0.9 CNC(=O)C=CC(=O)O N159546 [1,1,0,0,0,0|1,0,1]=4 426 B8R0.9 COC(=O)C=CC(=O)O M158075 [1,1,0,0,0,0|1,0,1]=4 427 B8R0.9 COC(=O)C=CC(=O)O M158861 [1,1,0,0,0,0|1,0,1]=4 428 B8R0.9 COC(=O)C=CC(=O)O M422970 [1,1,0,0,0,0|1,0,1]=4 429 B8R0.21 CCCCOP(=O)(O)O N378710 [1,1,0,0,0,0|2,0,0]=4 430 B8R0.28 CC(=O)CCCC(=O)O O159987 [1,1,0,0,0,0|0,0,2]=4 431 B8R0.28 CC(C)CCCC(=O)C M158865 [1,1,0,0,0,0|1,0,1]=4 432 B8R0.28 CC(C)CCCC(=O)O M158389 [1,1,0,0,0,0|0,0,1]=3 433 B8R0.28 CC(C)CCOC(=O)C I112107 [1,1,0,0,0,0|2,0,0]=4 434 B8R0.28 CC(C)CCOC(=O)C I112108 [1,1,0,0,0,0|2,0,0]=4 435 B8R0.28 CC(C)CCOC(=O)C I112110 [1,1,0,0,0,0|2,0,0]=4 436 B8R0.28 CC(C)CCOC(=O)C T119705 [1,1,0,0,0,0|2,0,0]=4 437 B8R0.28 CN(C)CC=CC(=O)O E177613 [1,1,0,0,0,0|1,0,0]=3 438 B8R0.28 CN(C)CCCC(=O)O D589906 [1,1,0,0,0,0|1,0,1]=4 439 B8R0.28 CN(C)CCCC(=O)O W133561 [1,1,0,0,0,0|1,0,1]=4 440 B10R0.3 CCCC(=O)CCCC(=O)O O303557 [0,2,0,0,0,0|0,0,2]=4 441 B10R0.59 COC(=O)CC=CC(=O)OC D170731 [0,2,0,0,0,0|1,0,1]=4 442 B10R0.4 B(C=CCCCCCC)(O)O I170305 [0,2,0,0,0,0|1,0,1]=4 443 B10R0.4 C(CCCC(=O)O)CCCBr B135312 [0,2,0,0,0,0|0,0,2]=4 444 B10R0.4 C(CCCC(=O)O)CCCN A165345 [0,2,0,0,0,0|0,0,2]=4 445 B10R0.4 C(CCCC(=O)O)CCCO H473772 [0,2,0,0,0,0|0,0,2]=4 446 B10R0.4 C(COCCOCC(=O)O)N A405690 [0,2,0,0,0,0|1,0,1]=4 447 B10R0.4 C=CCCCCCCC(=O)O N404785 [0,2,0,0,0,0|0,0,2]=4 448 B10R0.4 CCCCCCC=CC(=O)C D154240 [0,2,0,0,0,0|1,0,0]=3 449 B10R0.4 CCCCCCC=CC(=O)O N303594 [0,2,0,0,0,0|0,0,0]=2 450 B10R0.4 CCCCCCCCC(=O)O N110892 [0,2,0,0,0,0|0,0,2]=4 451 B10R0.4 CCCCCCCCC(=O)O N110893 [0,2,0,0,0,0|0,0,2]=4 452 B10R0.4 CCCCCCCCC(=O)O N110894 [0,2,0,0,0,0|0,0,2]=4 453 B10R0.4 CCCCCCCCC(=O)O N110895 [0,2,0,0,0,0|0,0,2]=4 454 B10R0.4 CCCCCCCCC(=O)O N196934 [0,2,0,0,0,0|0,0,2]=4 455 B10R0.4 CCCCCCCCC(=O)O N420639 [0,2,0,0,0,0|0,0,2]=4 456 B10R0.6 C(CCN)CC(CC(=O)O)N L183473 [0,2,0,0,0,0|0,0,2]=4 457 B10R0.6 CCCCCC(CC(=O)O)O H275940 [0,2,0,0,0,0|0,0,2]=4 458 B10R0.6 CCCCOC(=O)CC(=O)C B152871 [0,2,0,0,0,0|1,0,1]=4 459 B10R0.74 CCCCCC#CC(=O)OC M107624 [0,2,0,0,0,0|0,0,2]=4 460 B10R0.74 CCCCCC=CC(=O)OC M158154 [0,2,0,0,0,0|0,0,0]=2 461 B10R0.74 CCCCCCCC(=O)NO O123988 [0,2,0,0,0,0|0,0,2]=4 462 B10R0.74 CCCCCCCC(=O)OC M158053 [0,2,0,0,0,0|0,0,2]=4 463 B10R0.74 CCCCCCCC(=O)OC M158158 [0,2,0,0,0,0|0,0,2]=4 464 B10R0.74 COC(=O)CCCCCCBr M303935 [0,2,0,0,0,0|0,0,2]=4 465 B10R0.74 COC(=O)CCCCCCN M191642 [0,2,0,0,0,0|0,0,2]=4 466 B10R0.75 C(COC=CC(C(=O)O)N)N A131519 [0,2,0,0,0,0|2,0,0]=4 467 B10R0.75 CCCCCCC(=O)C(=O)O O300763 [0,2,0,0,0,0|0,0,1]=3 468 B10R0.75 CCCCCCC(C(=O)O)Br B152296 [0,2,0,0,0,0|0,0,2]=4 469 B10R0.75 CCCCCCC(C(=O)O)N S134525 [0,2,0,0,0,0|0,0,2]=4 470 B10R0.75 CCCCCCC(C(=O)O)N S189878 [0,2,0,0,0,0|0,0,2]=4 471 B10R0.75 CCCCCCC(C(=O)O)O X139091 [0,2,0,0,0,0|0,0,2]=4 472 B10R0.78 CCCCC(C)CCC(=O)O M103013 [0,2,0,0,0,0|0,0,2]=4 473 B10R0.97 CC(=O)CCCCCC(=O)O O472248 [0,2,0,0,0,0|0,0,2]=4 474 B10R0.18 CCCCC(=O)CC(=O)OC M158508 [0,2,0,0,0,0|0,0,1]=3 475 B10R0.1 CCCCCCC(=O)OCC E100047 [0,2,0,0,0,0|0,0,2]=4 476 B10R0.1 CCCCCCC(=O)OCC E305454 [0,2,0,0,0,0|0,0,2]=4 477 B8R1.2 C#CC1=CCCCC1 E156239 [1,0,0,1,0,0|1,0,1]=4 478 B8R1.2 C1CC(OC=C1)CO D117672 [1,0,0,1,0,0|1,0,1]=4 479 B8R1.2 C1CCC(=CC1)C#N C153472 [1,0,0,1,0,0|1,0,1]=4 480 B8R1.2 C1CCC(=CC1)C=O C468613 [1,0,0,1,0,0|0,0,0]=2 481 B8R1.2 C1CCC(=NO)CC1 C109682 [1,0,0,1,0,0|1,0,1]=4 482 B8R1.2 C1CCC(CC1)C=O C109681 [1,0,0,1,0,0|0,0,2]=4 483 B8R1.2 C1CCN(CC1)C=O F106773 [1,0,0,1,0,0|1,0,1]=4 484 B8R1.2 COC1CCC=CO1 D189144 [1,0,0,1,0,0|1,0,1]=4 485 B8R1.5 CC1CCCCC1=O M100791 [1,0,0,1,0,0|0,0,2]=4 486 B8R1.8 CCCC1=CC=CO1 P160277 [1,0,0,1,0,0|0,0,1]=3 487 B8R1.8 CCCC1=CC=CS1 P167542 [1,0,0,1,0,0|0,1,1]=4 488 B8R1.8 CNCC1=CC=CO1 I170508 [1,0,0,1,0,0|1,0,1]=4 489 B8R1.8 CSCC1=CC=CO1 F102908 [1,0,0,1,0,0|1,0,1]=4 490 B8R1.22 C1CCC(=O)C=CC1 C138031 [1,0,0,1,0,0|0,0,0]=2 491 B8R1.22 C1CCC(=O)NCC1 C111698 [1,0,0,1,0,0|1,0,1]=4 492 B8R1.22 C1CCC(=O)NCC1 C111700 [1,0,0,1,0,0|1,0,1]=4 493 B8R1.22 C1CCC(=O)OCC1 C109521 [1,0,0,1,0,0|1,0,1]=4 494 B8R1.22 C1CCC(=O)OCC1 C398060 [1,0,0,1,0,0|1,0,1]=4 495 B8R1.22 C1CCC(=O)OCC1 P299385 [1,0,0,1,0,0|1,0,1]=4 496 B8R1.22 C1CCC(=O)OCC1 P398622 [1,0,0,1,0,0|1,0,1]=4 497 B8R1.22 C1CCC(=O)OCC1 P478241 [1,0,0,1,0,0|1,0,1]=4 498 B8R1.22 C1CCC(=O)OCC1 P485972 [1,0,0,1,0,0|1,0,1]=4 499 B8R1.22 C1CCC(=O)OCC1 P579406 [1,0,0,1,0,0|1,0,1]=4 500 B8R1.22 C1CCCC(=O)CC1 C111127 [1,0,0,1,0,0|0,0,2]=4 501 B8R1.49 C1CCC=CC=CC1 C153570 [1,0,0,1,0,0|1,0,0]=3 502 B8R1.49 C1CCC=CC=CC1 C333998 [1,0,0,1,0,0|1,0,0]=3 503 B8R1.49 C1CCCC=CCC1 C100852 [1,0,0,1,0,0|1,0,1]=4 504 B8R1.49 C1CCCC=CCC1 C118535 [1,0,0,1,0,0|1,0,1]=4 505 B8R1.49 C1CCCC=CCC1 C129192 [1,0,0,1,0,0|1,0,1]=4 506 B8R1.49 C1CCCC=CCC1 C189232 [1,0,0,1,0,0|1,0,1]=4 507 B8R1.49 C1CCCC=CCC1 C294026 [1,0,0,1,0,0|1,0,1]=4 508 B8R1.1 C1C(OC(=O)N1)CCl C134365 [1,0,0,1,0,0|2,0,0]=4 509 B8R1.1 C1C(OC(=O)O1)CO G156799 [1,0,0,1,0,0|2,0,0]=4 510 B8R1.1 CCC1CCC(=O)O1 C111339 [1,0,0,1,0,0|0,0,1]=3 511 B8R1.4 CC1CCCC(=O)C1 M117710 [1,0,0,1,0,0|1,0,1]=4 512 B8R1.4 CC1CCCC(=O)C1 R472235 [1,0,0,1,0,0|1,0,1]=4 513 B8R1.4 CC1CCCC(=O)O1 D155361 [1,0,0,1,0,0|0,0,1]=3 514 B8R1.4 CC1CCOS(=O)O1 M120341 [1,0,0,1,0,0|2,0,0]=4 515 B8R1.7 B(C1=CCCC1)(O)O C136489 [1,0,0,1,0,0|1,0,1]=4 516 B8R1.7 C1CC(NC1)C(=O)O D423511 [1,0,0,1,0,0|1,0,1]=4 517 B8R1.7 C1CC(NC1)C(=O)O L421729 [1,0,0,1,0,0|1,0,1]=4 518 B8R1.7 C1CC(NC1)C(=O)O P105590 [1,0,0,1,0,0|1,0,1]=4 519 B8R1.7 C1CC(NC1)C(=O)O P108709 [1,0,0,1,0,0|1,0,1]=4 520 B8R1.7 C1CC(NC1)C(=O)O P111001 [1,0,0,1,0,0|1,0,1]=4 521 B8R1.7 C1CC(NC1)C(=O)O P120032 [1,0,0,1,0,0|1,0,1]=4 522 B8R1.7 C1CC(NC1)C(=O)O P140375 [1,0,0,1,0,0|1,0,1]=4 523 B8R1.7 C1CC(NC1)C(=O)O P477766 [1,0,0,1,0,0|1,0,1]=4 524 B8R1.7 C1CC(OC1)C(=O)O R160850 [1,0,0,1,0,0|1,0,1]=4 525 B8R1.7 C1CC(OC1)C(=O)O S161338 [1,0,0,1,0,0|1,0,1]=4 526 B8R1.7 C1CC(OC1)C(=O)O T161757 [1,0,0,1,0,0|1,0,1]=4 527 B8R1.7 C1CC=C(C1)C(=O)O C153747 [1,0,0,1,0,0|0,0,0]=2 528 B8R1.7 C1CCC(C1)C(=O)Cl C138861 [1,0,0,1,0,0|1,0,1]=4 529 B8R1.7 C1CCC(C1)C(=O)N C357646 [1,0,0,1,0,0|1,0,1]=4 530 B8R1.7 C1CCC(C1)C(=O)O C104489 [1,0,0,1,0,0|0,0,1]=3 531 B8R1.7 C1CNCC1C(=O)O P176886 [1,0,0,1,0,0|1,0,1]=4 532 B8R1.7 C1CNCC1C(=O)O P196048 [1,0,0,1,0,0|1,0,1]=4 533 B8R1.7 C1CNCC1C(=O)O S134732 [1,0,0,1,0,0|1,0,1]=4 534 B8R1.7 C1CNCC1C(=O)O S137345 [1,0,0,1,0,0|1,0,1]=4 535 B8R1.7 C1COCC1C(=O)O R194491 [1,0,0,1,0,0|1,0,1]=4 536 B8R1.7 C1COCC1C(=O)O T135700 [1,0,0,1,0,0|1,0,1]=4 537 B8R1.7 CC(=O)C1CCCC1 C194132 [1,0,0,1,0,0|1,0,1]=4 538 B8R1.7 CC(=O)N1CCCC1 A151303 [1,0,0,1,0,0|2,0,0]=4 539 B8R1.35 C1CC1C#CC(=O)O C467393 [1,0,0,1,0,0|0,0,2]=4 540 B8R1.35 C1CC1C=CC(=O)O C176819 [1,0,0,1,0,0|0,0,0]=2 541 B10R1.13 C1CC(CCC1C(=O)O)N A124585 [0,1,0,1,0,0|0,0,2]=4 542 B10R1.13 C1CC(CCC1C(=O)O)N C153750 [0,1,0,1,0,0|0,0,2]=4 543 B10R1.13 C1CC(CCC1C(=O)O)N I135100 [0,1,0,1,0,0|0,0,2]=4 544 B10R1.13 C1CC(CCC1C(=O)O)O C154122 [0,1,0,1,0,0|0,0,2]=4 545 B10R1.13 C1CC(CCC1C(=O)O)O H132286 [0,1,0,1,0,0|0,0,2]=4 546 B10R1.13 C1CC(CCC1C(=O)O)O T161443 [0,1,0,1,0,0|0,0,2]=4 547 B10R1.13 C1CC(NCC1O)C(=O)O S176988 [0,1,0,1,0,0|1,0,1]=4 548 B10R1.13 CC1CCC(CC1)C(=O)O M158294 [0,1,0,1,0,0|0,0,2]=4 549 B10R1.13 CC1CCC(CC1)C(=O)O T472827 [0,1,0,1,0,0|0,0,2]=4 550 B10R1.10 CCCC1CCCC(=O)O1 O117516 [0,1,0,1,0,0|0,0,2]=4 551 B10R1.16 CCCCC1CCC(=O)O1 O117514 [0,1,0,1,0,0|0,0,2]=4 552 B10R1.18 C1CC(CNC1)CC(=O)O P177340 [0,1,0,1,0,0|0,0,2]=4 553 B10R1.18 C1CCC(CC1)CC(=O)O C153818 [0,1,0,1,0,0|0,0,2]=4 554 B10R1.18 C1CCN(CC1)CC(=O)O D303438 [0,1,0,1,0,0|0,0,2]=4 555 B10R1.18 C1CCNC(C1)CC(=O)O P168289 [0,1,0,1,0,0|0,0,2]=4 556 B10R1.18 C1COCCN1CC(=O)O M137089 [0,1,0,1,0,0|1,0,1]=4 557 B10R1.18 C1COCCN1CC(=O)O M192727 [0,1,0,1,0,0|1,0,1]=4 558 B10R1.39 CCN1C(=CC=N1)C(=O)O E589004 [0,1,0,1,0,0|1,0,1]=4 559 B10R1.61 C1CC(C(=O)NC1)C(=O)O O170260 [0,1,0,1,0,0|1,0,1]=4 560 B10R1.61 C1CCC(C(C1)C(=O)O)N C349166 [0,1,0,1,0,0|0,0,2]=4 561 B10R1.61 C1CCC(C(C1)C(=O)O)O H157379 [0,1,0,1,0,0|0,0,2]=4 562 B10R1.61 CC(=O)C1CCCCC1=O A151668 [0,1,0,1,0,0|1,0,1]=4 563 B10R1.61 CC1C(CCCN1)C(=O)O M190173 [0,1,0,1,0,0|0,0,2]=4 564 B10R1.61 CC1CCCCC1C(=O)O M492419 [0,1,0,1,0,0|0,0,2]=4 565 B10R1.66 C1CCC(C1)CCC(=O)O W132385 [0,1,0,1,0,0|0,0,2]=4 566 B10R1.348 C1CCCC(CC1)C(=O)O C121819 [0,1,0,1,0,0|0,0,2]=4 567 B10R1.130 CCCC1C(=O)NC(=O)N1 P160274 [0,1,0,1,0,0|2,0,0]=4 568 B10R1.130 CCOC1C(=CC(=O)O1)Br B588744 [0,1,0,1,0,0|1,0,0]=3 569 B10R1.1 CCCC1=CC=C(C=C1)O P136692 [0,1,0,1,0,0|1,0,1]=4 570 B10R1.2 CCC1=C(C(=O)C=CO1)O E117522 [0,1,0,1,0,0|1,0,1]=4 571 B10R1.2 CCC1=C(C(=O)C=CO1)O E424264 [0,1,0,1,0,0|1,0,1]=4 572 B10R1.15 COC(=O)C1=CCCCC1 M168102 [0,1,0,1,0,0|0,0,0]=2 573 B10R1.15 COC(=O)C1=CCOCC1 M171857 [0,1,0,1,0,0|1,0,0]=3 574 B10R1.15 COC(=O)C1CCCCC1 M138876 [0,1,0,1,0,0|0,0,2]=4 575 B10R1.15 COC(=O)C1CCCCN1 H191752 [0,1,0,1,0,0|1,0,1]=4 576 B10R1.15 COC(=O)C1CCCCN1 M169575 [0,1,0,1,0,0|1,0,1]=4 577 B10R1.15 COC(=O)C1CCCCN1 M191753 [0,1,0,1,0,0|1,0,1]=4 578 B10R1.15 COC(=O)C1CCCCN1 M193348 [0,1,0,1,0,0|1,0,1]=4 579 B10R1.15 COC(=O)C1CCCCO1 M590294 [0,1,0,1,0,0|1,0,1]=4 580 B10R1.15 COC(=O)N1CCCCC1 M347739 [0,1,0,1,0,0|1,0,1]=4 581 B10R1.96 COCC1=CC=C(O1)C=O M191811 [0,1,0,1,0,0|1,0,1]=4 582 B10R1.23 C1CCC(C1)C(C(=O)O)N L133201 [0,1,0,1,0,0|0,0,2]=4 583 B10R1.113 C1CC(CC(C1)N)C(=O)O A133090 [0,1,0,1,0,0|0,0,2]=4 584 B10R1.113 C1CC(CC(C1)N)C(=O)O C153901 [0,1,0,1,0,0|0,0,2]=4 585 B10R1.113 C1CC(CC(C1)O)C(=O)O H157380 [0,1,0,1,0,0|0,0,2]=4 586 B10R1.113 CC1CCCC(C1)C(=O)O M299842 [0,1,0,1,0,0|0,0,2]=4 587 B10R1.113 CC1CCCC(C1)C(=O)O M472837 [0,1,0,1,0,0|0,0,2]=4 588 B10R1.113 CC1CCNC(C1)C(=O)O R194886 [0,1,0,1,0,0|1,0,1]=4 589 B10R1.113 CN1CCC=C(C1)C(=O)O B301332 [0,1,0,1,0,0|1,0,0]=3 590 B10R1.363 C1CCC(CC1)(C(=O)O)N A101237 [0,1,0,1,0,0|0,0,2]=4 591 B10R1.363 CC1(CCCCC1)C(=O)O M157925 [0,1,0,1,0,0|0,0,2]=4 592 B10R1.128 CC1(CCCC1C(=O)O)N C348320 [0,1,0,1,0,0|0,0,2]=4