0 B9R0.2 C#CCCCCCC(=O)O O491862 [0,0,0,0,0,0|1,0,2]=3 1 B9R0.2 C(CCCBr)CCC(=O)O B138642 [0,0,0,0,0,0|2,0,1]=3 2 B9R0.2 C(CCCN)CCC(=O)O A151309 [0,0,0,0,0,0|2,0,1]=3 3 B9R0.2 C(CCCN)CCC(=O)O A334272 [0,0,0,0,0,0|2,0,1]=3 4 B9R0.2 C(CCCO)CCC(=O)O H334249 [0,0,0,0,0,0|2,0,1]=3 5 B9R0.2 C(CCCO)CCC(=O)[O-] H333362 [0,0,0,0,0,0|2,0,1]=3 6 B9R0.2 C(CCN=[N+]=[N-])CC(=O)O A151193 [0,0,0,0,0,0|4,0,0]=4 7 B9R0.2 C=CCCCCCC(=O)O O168152 [0,0,0,0,0,0|1,0,0]=1 8 B9R0.2 CC(=O)NCCCCCN N159177 [0,0,0,0,0,0|2,0,1]=3 9 B9R0.2 CC(=O)NCCCCCN N423313 [0,0,0,0,0,0|2,0,1]=3 10 B9R0.2 CC(=O)OCCCCC=C H157305 [0,0,0,0,0,0|1,0,0]=1 11 B9R0.2 CC(=O)OCCCCCBr B152865 [0,0,0,0,0,0|2,0,1]=3 12 B9R0.2 CC(C)CCCCCC=O M333901 [0,0,0,0,0,0|2,0,1]=3 13 B9R0.2 CCCCCC=CC(=O)C N302867 [0,0,0,0,0,0|0,0,4]=4 14 B9R0.2 CCCCCCCC(=O)C N105585 [0,0,0,0,0,0|0,0,2]=2 15 B9R0.2 CCCCCCCC(=O)Cl O101697 [0,0,0,0,0,0|1,0,2]=3 16 B9R0.2 CCCCCCCC(=O)N N159412 [0,0,0,0,0,0|1,0,2]=3 17 B9R0.2 CCCCCCCC(=O)O N421038 [0,0,0,0,0,0|1,0,2]=3 18 B9R0.2 CCCCCCCC(=O)O O108276 [0,0,0,0,0,0|1,0,2]=3 19 B9R0.2 CCCCCCCC(=O)O O108277 [0,0,0,0,0,0|1,0,2]=3 20 B9R0.2 CCCCCCCC(=O)O O108278 [0,0,0,0,0,0|1,0,2]=3 21 B9R0.2 CCCCCCCC(=O)O O108279 [0,0,0,0,0,0|1,0,2]=3 22 B9R0.2 CCCCCCCC(=O)O O431649 [0,0,0,0,0,0|1,0,2]=3 23 B9R0.2 CCCCCCCC(=O)O R113304 [0,0,0,0,0,0|1,0,2]=3 24 B9R0.2 CCCCCCCC(=O)[O-] L340331 [0,0,0,0,0,0|1,0,2]=3 25 B9R0.2 CCCCCCCC(=O)[O-] S113206 [0,0,0,0,0,0|1,0,2]=3 26 B9R0.2 CCCCCCCC(=O)[O-] S117847 [0,0,0,0,0,0|1,0,2]=3 27 B9R0.2 CCCCCCCC(=O)[O-] S491233 [0,0,0,0,0,0|1,0,2]=3 28 B9R0.2 CCCCCCCC(C)C M158518 [0,0,0,0,0,0|1,0,3]=4 29 B9R0.2 CCCCCCCC(C)C M406711 [0,0,0,0,0,0|1,0,3]=4 30 B9R0.2 CCCCCCCC(C)O N159697 [0,0,0,0,0,0|0,0,4]=4 31 B9R0.2 CCCCCCCC(C)O N298586 [0,0,0,0,0,0|0,0,4]=4 32 B9R0.2 CCCCCCOC(=O)C H111061 [0,0,0,0,0,0|1,0,2]=3 33 B9R0.2 CCCCCCOC(=O)C H111062 [0,0,0,0,0,0|1,0,2]=3 34 B9R0.2 CCCCCCOC(=O)C H111063 [0,0,0,0,0,0|1,0,2]=3 35 B9R0.2 CCCCCCOC(=O)Cl H139072 [0,0,0,0,0,0|2,0,2]=4 36 B9R0.2 CN(C)CCCCCCO D133261 [0,0,0,0,0,0|3,0,1]=4 37 B9R0.2 COCCCCCC(=O)O M170253 [0,0,0,0,0,0|2,0,1]=3 38 B9R0.2 CS(=O)CCCCN=C=S D424040 [0,0,0,0,0,0|3,0,1]=4 39 B9R0.2 CS(=O)CCCCN=C=S R131741 [0,0,0,0,0,0|3,0,1]=4 40 B9R0.2 CS(=O)CCCCN=C=S S111997 [0,0,0,0,0,0|3,0,1]=4 41 B9R0.2 CS(=O)CCCCN=C=S S140384 [0,0,0,0,0,0|3,0,1]=4 42 B8R0.4 C=CCCCCCCBr B134900 [1,0,0,0,0,0|1,0,1]=3 43 B8R0.4 C=CCCCCCCO O159908 [1,0,0,0,0,0|0,0,2]=3 44 B8R0.4 CCCCCCCC#C N100831 [1,0,0,0,0,0|0,0,3]=4 45 B8R0.4 CCCCCCCC=C N109555 [1,0,0,0,0,0|0,0,1]=2 46 B8R0.4 CCCCCCCC=C N110481 [1,0,0,0,0,0|0,0,1]=2 47 B8R0.4 CCCCCCCC=O O106930 [1,0,0,0,0,0|0,0,2]=3 48 B8R0.4 CCCCCCCC=O O106931 [1,0,0,0,0,0|0,0,2]=3 49 B8R0.4 CCCCCCCC=O O345608 [1,0,0,0,0,0|0,0,2]=3 50 B8R0.4 CCCCCCCCBr B105260 [1,0,0,0,0,0|1,0,2]=4 51 B8R0.4 CCCCCCCCC N103391 [1,0,0,0,0,0|0,0,3]=4 52 B8R0.4 CCCCCCCCC N103392 [1,0,0,0,0,0|0,0,3]=4 53 B8R0.4 CCCCCCCCC N103393 [1,0,0,0,0,0|0,0,3]=4 54 B8R0.4 CCCCCCCCC N119711 [1,0,0,0,0,0|0,0,3]=4 55 B8R0.4 CCCCCCCCCl C111401 [1,0,0,0,0,0|1,0,2]=4 56 B8R0.4 CCCCCCCCCl C111402 [1,0,0,0,0,0|1,0,2]=4 57 B8R0.4 CCCCCCCCF F170468 [1,0,0,0,0,0|1,0,2]=4 58 B8R0.4 CCCCCCCCI I157580 [1,0,0,0,0,0|1,0,2]=4 59 B8R0.4 CCCCCCCCN N159007 [1,0,0,0,0,0|1,0,2]=4 60 B8R0.4 CCCCCCCCN N159690 [1,0,0,0,0,0|1,0,2]=4 61 B8R0.4 CCCCCCCCN O110545 [1,0,0,0,0,0|1,0,2]=4 62 B8R0.4 CCCCCCCCN O110546 [1,0,0,0,0,0|1,0,2]=4 63 B8R0.4 CCCCCCCCN O491873 [1,0,0,0,0,0|1,0,2]=4 64 B8R0.4 CCCCCCCCN O492190 [1,0,0,0,0,0|1,0,2]=4 65 B8R0.4 CCCCCCCCO O103324 [1,0,0,0,0,0|1,0,2]=4 66 B8R0.4 CCCCCCCCO O103325 [1,0,0,0,0,0|1,0,2]=4 67 B8R0.4 CCCCCCCCO O103326 [1,0,0,0,0,0|1,0,2]=4 68 B8R0.4 CCCCCCCCO O119018 [1,0,0,0,0,0|1,0,2]=4 69 B8R0.4 CCCCCCCCO O119679 [1,0,0,0,0,0|1,0,2]=4 70 B8R0.4 CCCCCCCCO O491594 [1,0,0,0,0,0|1,0,2]=4 71 B8R0.4 CCCCCCCCS O105587 [1,0,0,0,0,0|1,0,2]=4 72 B8R0.4 CCCCCCCC[CH2-] N332405 [1,0,0,0,0,0|0,0,3]=4 73 B8R0.4 CCCCCCCC[NH3+] N290338 [1,0,0,0,0,0|1,0,2]=4 74 B8R0.4 CCCCCCCSC H157103 [1,0,0,0,0,0|1,0,2]=4 75 B8R0.4 CCCCCCOC=O H113684 [1,0,0,0,0,0|1,0,2]=4 76 B8R0.4 COCCCCCOC D155548 [1,0,0,0,0,0|2,0,1]=4 77 B8R0.7 C#CCCCCC(=O)O H107741 [1,0,0,0,0,0|1,0,2]=4 78 B8R0.7 C(CCC(=O)Cl)CCBr B152054 [1,0,0,0,0,0|2,0,0]=3 79 B8R0.7 C(CCC(=O)Cl)CCCl C468097 [1,0,0,0,0,0|2,0,0]=3 80 B8R0.7 C(CCC(=O)N)CCBr B185341 [1,0,0,0,0,0|2,0,0]=3 81 B8R0.7 C(CCC(=O)O)CCBr B104555 [1,0,0,0,0,0|2,0,0]=3 82 B8R0.7 C(CCC(=O)O)CCCl C121729 [1,0,0,0,0,0|2,0,0]=3 83 B8R0.7 C(CCC(=O)O)CCN A306000 [1,0,0,0,0,0|2,0,0]=3 84 B8R0.7 C(CCC(=O)O)CCN A433060 [1,0,0,0,0,0|2,0,0]=3 85 B8R0.7 C(CCC(=O)O)CCO H302536 [1,0,0,0,0,0|2,0,0]=3 86 B8R0.7 C(CCC(=O)O)CCS M292991 [1,0,0,0,0,0|2,0,0]=3 87 B8R0.7 C(CCC(=O)O)CCS M345400 [1,0,0,0,0,0|2,0,0]=3 88 B8R0.7 C(CCC(=O)[O-])CCO P192074 [1,0,0,0,0,0|2,0,0]=3 89 B8R0.7 C(CN)CNCC(=O)O N159195 [1,0,0,0,0,0|3,0,0]=4 90 B8R0.7 C(COCCN)C(=O)O A412738 [1,0,0,0,0,0|3,0,0]=4 91 B8R0.7 C=CCOCCC(=O)O A151450 [1,0,0,0,0,0|2,0,0]=3 92 B8R0.7 CC(=O)NCCCCN I168071 [1,0,0,0,0,0|2,0,0]=3 93 B8R0.7 CC(=O)NCCCCN N159176 [1,0,0,0,0,0|2,0,0]=3 94 B8R0.7 CC(=O)OCCCC=C P160540 [1,0,0,0,0,0|1,0,0]=2 95 B8R0.7 CC(=O)OCCCCBr B136623 [1,0,0,0,0,0|2,0,0]=3 96 B8R0.7 CC(=O)OCCCCCl C133987 [1,0,0,0,0,0|2,0,0]=3 97 B8R0.7 CC(=O)OCCCCI I476998 [1,0,0,0,0,0|2,0,0]=3 98 B8R0.7 CC(=O)OCCCSC M157982 [1,0,0,0,0,0|2,0,1]=4 99 B8R0.7 CCCCC=CC(=O)C O100829 [1,0,0,0,0,0|0,0,3]=4 100 B8R0.7 CCCCCCC(=O)C O111186 [1,0,0,0,0,0|0,0,1]=2 101 B8R0.7 CCCCCCC(=O)C O111187 [1,0,0,0,0,0|0,0,1]=2 102 B8R0.7 CCCCCCC(=O)Cl H102418 [1,0,0,0,0,0|1,0,1]=3 103 B8R0.7 CCCCCCC(=O)O H103518 [1,0,0,0,0,0|1,0,1]=3 104 B8R0.7 CCCCCCC(=O)O H103519 [1,0,0,0,0,0|1,0,1]=3 105 B8R0.7 CCCCCCC(=O)O H103520 [1,0,0,0,0,0|1,0,1]=3 106 B8R0.7 CCCCCCC(=O)O H431469 [1,0,0,0,0,0|1,0,1]=3 107 B8R0.7 CCCCCCC(=O)[O-] S161315 [1,0,0,0,0,0|1,0,1]=3 108 B8R0.7 CCCCCCC(C)Br B152446 [1,0,0,0,0,0|1,0,2]=4 109 B8R0.7 CCCCCCC(C)C M158524 [1,0,0,0,0,0|1,0,2]=4 110 B8R0.7 CCCCCCC(C)N A151716 [1,0,0,0,0,0|1,0,2]=4 111 B8R0.7 CCCCCCC(C)N I169738 [1,0,0,0,0,0|1,0,2]=4 112 B8R0.7 CCCCCCC(C)O O111525 [1,0,0,0,0,0|0,0,3]=4 113 B8R0.7 CCCCCCC(C)O O111526 [1,0,0,0,0,0|0,0,3]=4 114 B8R0.7 CCCCCCC(C)O O111527 [1,0,0,0,0,0|0,0,3]=4 115 B8R0.7 CCCCCCC(C)O O111528 [1,0,0,0,0,0|0,0,3]=4 116 B8R0.7 CCCCCCC(C)O R160889 [1,0,0,0,0,0|0,0,3]=4 117 B8R0.7 CCCCCCC(C)O S161171 [1,0,0,0,0,0|0,0,3]=4 118 B8R0.7 CCCCCCN(C)C N303722 [1,0,0,0,0,0|2,0,1]=4 119 B8R0.7 CCCCCOC(=O)C A103450 [1,0,0,0,0,0|1,0,1]=3 120 B8R0.7 CCCCCOC(=O)C A103451 [1,0,0,0,0,0|1,0,1]=3 121 B8R0.7 CCCCCOC(=O)C A103452 [1,0,0,0,0,0|1,0,1]=3 122 B8R0.7 CCCCCOC(=O)Cl A139129 [1,0,0,0,0,0|2,0,1]=4 123 B8R0.7 CCCCOCC(=O)O B152317 [1,0,0,0,0,0|2,0,1]=4 124 B8R0.7 CCOCCOC(=O)C E105181 [1,0,0,0,0,0|2,0,1]=4 125 B8R0.7 CCOCCOC(=O)C E105183 [1,0,0,0,0,0|2,0,1]=4 126 B8R0.7 CCOCCOC(=O)C E105184 [1,0,0,0,0,0|2,0,1]=4 127 B10R0.3 CC(CCC=C(C)C)CC=O C110150 [0,1,0,0,0,0|2,0,1]=4 128 B10R0.3 CC(CCC=C(C)C)CC=O C118628 [0,1,0,0,0,0|2,0,1]=4 129 B10R0.3 CC(CCC=C(C)C)CC=O C420495 [0,1,0,0,0,0|2,0,1]=4 130 B10R0.3 CC(CCC=C(C)C)CC=O C424959 [0,1,0,0,0,0|2,0,1]=4 131 B10R0.3 CC(CCC=C(C)C)CC=O C573626 [0,1,0,0,0,0|2,0,1]=4 132 B10R0.3 CC(CCC=C(C)C)CC=O S468432 [0,1,0,0,0,0|2,0,1]=4 133 B10R0.3 CC(CCCC(=C)C)CCO R485524 [0,1,0,0,0,0|2,0,1]=4 134 B10R0.3 CCCC(CCOC(=O)C)S M158207 [0,1,0,0,0,0|1,0,2]=4 135 B10R0.4 C(CCC(=O)O)CCN=[N+]=[N-] A479506 [0,1,0,0,0,0|3,0,0]=4 136 B10R0.4 C(CCCC(=O)O)CCCBr B135312 [0,1,0,0,0,0|1,0,2]=4 137 B10R0.4 C(CCCC(=O)O)CCCN A165345 [0,1,0,0,0,0|1,0,2]=4 138 B10R0.4 C(CCCC(=O)O)CCCO H473772 [0,1,0,0,0,0|1,0,2]=4 139 B10R0.4 C=CCCCCCCC(=O)O N404785 [0,1,0,0,0,0|1,0,0]=2 140 B10R0.4 CCCCCCC=CC(=O)C D154240 [0,1,0,0,0,0|0,0,3]=4 141 B10R0.4 CCCCCCCCC(=O)C D139185 [0,1,0,0,0,0|0,0,2]=3 142 B10R0.4 CCCCCCCCC(=O)C D139186 [0,1,0,0,0,0|0,0,2]=3 143 B10R0.4 CCCCCCCCC(=O)C D464910 [0,1,0,0,0,0|0,0,2]=3 144 B10R0.4 CCCCCCCCC(=O)Cl N158955 [0,1,0,0,0,0|1,0,2]=4 145 B10R0.4 CCCCCCCCC(=O)Cl N158958 [0,1,0,0,0,0|1,0,2]=4 146 B10R0.4 CCCCCCCCC(=O)O N110892 [0,1,0,0,0,0|1,0,2]=4 147 B10R0.4 CCCCCCCCC(=O)O N110893 [0,1,0,0,0,0|1,0,2]=4 148 B10R0.4 CCCCCCCCC(=O)O N110894 [0,1,0,0,0,0|1,0,2]=4 149 B10R0.4 CCCCCCCCC(=O)O N110895 [0,1,0,0,0,0|1,0,2]=4 150 B10R0.4 CCCCCCCCC(=O)O N196934 [0,1,0,0,0,0|1,0,2]=4 151 B10R0.4 CCCCCCCCC(=O)O N420639 [0,1,0,0,0,0|1,0,2]=4 152 B10R0.4 CCCCCCCCC(=O)[O-] S161312 [0,1,0,0,0,0|1,0,2]=4 153 B10R0.4 CCCCCCCOC(=O)C H157248 [0,1,0,0,0,0|0,0,2]=3 154 B10R0.4 CCCCCCCOC(=O)Cl H156985 [0,1,0,0,0,0|1,0,2]=4 155 B10R0.4 CCCCOCCOC(=O)C B111057 [0,1,0,0,0,0|1,0,2]=4 156 B10R0.6 C(CCN)CC(CC(=O)O)N L183473 [0,1,0,0,0,0|2,0,1]=4 157 B10R0.6 CCCCCC(CC(=O)O)O H275940 [0,1,0,0,0,0|1,0,2]=4 158 B10R0.55 CC(=O)CCCCC(=O)OC M294064 [0,1,0,0,0,0|1,0,2]=4 159 B10R0.74 C#CCCCCNC(=O)CI I287459 [0,1,0,0,0,0|1,0,2]=4 160 B10R0.74 CCCCCCCC(=O)CC D154228 [0,1,0,0,0,0|0,0,2]=3 161 B10R0.74 CCCCCCCC(=O)NN N159466 [0,1,0,0,0,0|1,0,2]=4 162 B10R0.74 CCCCCCCC(=O)NO O123988 [0,1,0,0,0,0|1,0,2]=4 163 B10R0.74 CCCCCCCC(=O)N[O-] S303820 [0,1,0,0,0,0|1,0,2]=4 164 B10R0.74 CCCCCCCC(=O)OC M158053 [0,1,0,0,0,0|0,0,2]=3 165 B10R0.74 CCCCCCCC(=O)OC M158158 [0,1,0,0,0,0|0,0,2]=3 166 B10R0.74 CCCCCCOC(=O)CC H157249 [0,1,0,0,0,0|1,0,2]=4 167 B10R0.74 COC(=O)CCCCCCBr M303935 [0,1,0,0,0,0|1,0,1]=3 168 B10R0.74 COC(=O)CCCCCCN M191642 [0,1,0,0,0,0|1,0,1]=3 169 B10R0.75 CCCCCCC(C(=O)O)Br B152296 [0,1,0,0,0,0|1,0,2]=4 170 B10R0.75 CCCCCCC(C(=O)O)N S134525 [0,1,0,0,0,0|1,0,2]=4 171 B10R0.75 CCCCCCC(C(=O)O)N S189878 [0,1,0,0,0,0|1,0,2]=4 172 B10R0.75 CCCCCCC(C(=O)O)O X139091 [0,1,0,0,0,0|1,0,2]=4 173 B10R0.78 CCCCC(C)CCC(=O)O M103013 [0,1,0,0,0,0|1,0,2]=4 174 B10R0.97 C(CCC(=O)Cl)CCC(=O)Cl P124592 [0,1,0,0,0,0|2,0,0]=3 175 B10R0.97 C(CCC(=O)O)CCC(=O)O P110547 [0,1,0,0,0,0|2,0,0]=3 176 B10R0.97 C(COCCC(=O)O)C(=O)O O589607 [0,1,0,0,0,0|3,0,0]=4 177 B10R0.97 C(CSCCC(=O)O)C(=O)O T106635 [0,1,0,0,0,0|3,0,0]=4 178 B10R0.97 C(CSCCC(=O)O)C(=O)O T431470 [0,1,0,0,0,0|3,0,0]=4 179 B10R0.97 CC(=O)CCCCCC(=O)O O472248 [0,1,0,0,0,0|1,0,0]=2 180 B10R1.10 CCCC1CCCC(=O)O1 O117516 [0,0,0,1,0,0|1,0,2]=4 181 B10R1.16 CCCCC1CCC(=O)O1 O117514 [0,0,0,1,0,0|1,0,2]=4 182 B10R1.18 C1CC(CNC1)CC(=O)O P177340 [0,0,0,1,0,0|2,0,1]=4 183 B10R1.18 C1CCC(CC1)CC(=O)O C153818 [0,0,0,1,0,0|1,0,2]=4 184 B10R1.18 C1CCNC(C1)CC(=O)O P168289 [0,0,0,1,0,0|2,0,1]=4 185 B10R1.18 CC(=O)CC1CCCCC1 C478562 [0,0,0,1,0,0|0,0,2]=3 186 B10R1.18 CC(=O)NC1CCCNC1 A151172 [0,0,0,1,0,0|2,0,1]=4 187 B10R1.18 CC(=O)OC1CCCCC1 C153425 [0,0,0,1,0,0|1,0,2]=4 188 B10R1.61 C1CC(C(=O)NC1)C(=O)O O170260 [0,0,0,1,0,0|3,0,0]=4 189 B10R1.61 C1CCC(C(C1)C(=O)O)N C349166 [0,0,0,1,0,0|2,0,1]=4 190 B10R1.61 C1CCC(C(C1)C(=O)O)O H157379 [0,0,0,1,0,0|2,0,1]=4 191 B10R1.61 CC(=O)C1CCCCC1=O A151668 [0,0,0,1,0,0|1,0,0]=2 192 B10R1.61 CC1CCCCC1C(=O)O M492419 [0,0,0,1,0,0|1,0,2]=4 193 B10R1.64 C1CC(=O)N(C1)CC(=O)N P129415 [0,0,0,1,0,0|3,0,0]=4 194 B10R1.64 C1CC(=O)N(C1)CC(=O)O O193821 [0,0,0,1,0,0|3,0,0]=4 195 B10R1.64 C1CC(C(=O)C1)CC(=O)O O167346 [0,0,0,1,0,0|2,0,0]=3 196 B10R1.64 CC(=O)NC1CCOC1=O A333729 [0,0,0,1,0,0|3,0,0]=4 197 B10R1.64 CC(=O)NC1CCSC1=O A108031 [0,0,0,1,0,0|3,0,0]=4 198 B10R1.64 CC(=O)NC1CCSC1=O A151087 [0,0,0,1,0,0|3,0,0]=4 199 B10R1.64 NC(=O)CN1CCCC1=O P408671 [0,0,0,1,0,0|3,0,0]=4 200 B10R1.66 C1CCC(C1)CCC(=O)Cl C102472 [0,0,0,1,0,0|1,0,2]=4 201 B10R1.66 C1CCC(C1)CCC(=O)O W132385 [0,0,0,1,0,0|1,0,2]=4 202 B10R1.66 CC(=O)OCC1CCCO1 T161761 [0,0,0,1,0,0|2,0,1]=4 203 B10R1.78 C1CCCC(=O)NCCC1 O159932 [0,0,0,1,0,0|1,0,2]=4 204 B10R1.348 C1CCCC(CC1)C(=O)Cl C589802 [0,0,0,1,0,0|1,0,2]=4 205 B10R1.348 C1CCCC(CC1)C(=O)O C121819 [0,0,0,1,0,0|1,0,2]=4 206 B7R0.1 C(CCC=O)CC=O A302164 [2,0,0,0,0,0|1,0,0]=3 207 B7R0.1 C=CCCCCC=C O159998 [2,0,0,0,0,0|0,0,1]=3 208 B7R0.1 C=CCCCCCBr B134159 [2,0,0,0,0,0|1,0,0]=3 209 B7R0.1 C=CCCCCCO H156869 [2,0,0,0,0,0|0,0,1]=3 210 B7R0.1 C=COCCCCO T161688 [2,0,0,0,0,0|1,0,1]=4 211 B7R0.1 C=COCCCCO T299067 [2,0,0,0,0,0|1,0,1]=4 212 B7R0.1 CCCCCC=CC C153583 [2,0,0,0,0,0|0,0,2]=4 213 B7R0.1 CCCCCC=CC O159996 [2,0,0,0,0,0|0,0,2]=4 214 B7R0.1 CCCCCC=CC T161814 [2,0,0,0,0,0|0,0,2]=4 215 B7R0.1 CCCCCCC#C O109633 [2,0,0,0,0,0|0,0,2]=4 216 B7R0.1 CCCCCCC#N H156965 [2,0,0,0,0,0|1,0,1]=4 217 B7R0.1 CCCCCCC=C O108659 [2,0,0,0,0,0|0,0,0]=2 218 B7R0.1 CCCCCCC=C O108660 [2,0,0,0,0,0|0,0,0]=2 219 B7R0.1 CCCCCCC=O H105934 [2,0,0,0,0,0|0,0,1]=3 220 B7R0.1 CCCCCCC=O H105935 [2,0,0,0,0,0|0,0,1]=3 221 B7R0.1 CCCCCCCBr B109258 [2,0,0,0,0,0|1,0,1]=4 222 B7R0.1 CCCCCCCC O100577 [2,0,0,0,0,0|0,0,2]=4 223 B7R0.1 CCCCCCCC O100578 [2,0,0,0,0,0|0,0,2]=4 224 B7R0.1 CCCCCCCC O100580 [2,0,0,0,0,0|0,0,2]=4 225 B7R0.1 CCCCCCCC O100581 [2,0,0,0,0,0|0,0,2]=4 226 B7R0.1 CCCCCCCC O119714 [2,0,0,0,0,0|0,0,2]=4 227 B7R0.1 CCCCCCCCl C153657 [2,0,0,0,0,0|1,0,1]=4 228 B7R0.1 CCCCCCCI I157581 [2,0,0,0,0,0|1,0,1]=4 229 B7R0.1 CCCCCCCN H113175 [2,0,0,0,0,0|1,0,1]=4 230 B7R0.1 CCCCCCCO H108210 [2,0,0,0,0,0|1,0,1]=4 231 B7R0.1 CCCCCCCO H108211 [2,0,0,0,0,0|1,0,1]=4 232 B7R0.1 CCCCCCCO H108212 [2,0,0,0,0,0|1,0,1]=4 233 B7R0.1 CCCCCCCS H102322 [2,0,0,0,0,0|1,0,1]=4 234 B7R0.1 CCCCCCNC N341547 [2,0,0,0,0,0|1,0,1]=4 235 B7R0.1 CCCCCCOC H157292 [2,0,0,0,0,0|1,0,1]=4 236 B7R0.1 CCCCCOC=O A151451 [2,0,0,0,0,0|1,0,1]=4 237 B7R0.1 CCCCOCC=C A151096 [2,0,0,0,0,0|1,0,0]=3 238 B7R0.1 CCCSSCC=C A103096 [2,0,0,0,0,0|2,0,0]=4 239 B7R0.4 C(CCBr)CC(=O)Cl B138857 [2,0,0,0,0,0|2,0,0]=4 240 B7R0.4 C(CCBr)CC(=O)O B106966 [2,0,0,0,0,0|2,0,0]=4 241 B7R0.4 C(CCCl)CC(=O)Cl C102473 [2,0,0,0,0,0|2,0,0]=4 242 B7R0.4 C(CCCl)CC(=O)O C153468 [2,0,0,0,0,0|2,0,0]=4 243 B7R0.4 C(CCN)CC(=O)O A107493 [2,0,0,0,0,0|2,0,0]=4 244 B7R0.4 C(CCN)CC(=O)O A151151 [2,0,0,0,0,0|2,0,0]=4 245 B7R0.4 C(CCN)CC(=O)O A151349 [2,0,0,0,0,0|2,0,0]=4 246 B7R0.4 C(CCN)CC(=O)O A491891 [2,0,0,0,0,0|2,0,0]=4 247 B7R0.4 C(CCN)CC(=O)O A491894 [2,0,0,0,0,0|2,0,0]=4 248 B7R0.4 C(CCO)CC(=O)[O-] H184096 [2,0,0,0,0,0|2,0,0]=4 249 B7R0.4 C=CCCCC(=O)O H157078 [2,0,0,0,0,0|1,0,0]=3 250 B7R0.4 CC(=O)CCCC#N K157732 [2,0,0,0,0,0|1,0,1]=4 251 B7R0.4 CC(=O)CCCCCl C108058 [2,0,0,0,0,0|1,0,0]=3 252 B7R0.4 CC(=O)OCCCCl C135233 [2,0,0,0,0,0|2,0,0]=4 253 B7R0.4 CC(=O)OCCOC M106167 [2,0,0,0,0,0|2,0,0]=4 254 B7R0.4 CC(=O)SCCCBr B333089 [2,0,0,0,0,0|2,0,0]=4 255 B7R0.4 CCCC=CC(=O)C H156932 [2,0,0,0,0,0|0,0,2]=4 256 B7R0.4 CCCCCC(=C)C M158504 [2,0,0,0,0,0|1,0,0]=3 257 B7R0.4 CCCCCC(=O)C H103803 [2,0,0,0,0,0|0,0,0]=2 258 B7R0.4 CCCCCC(=O)C H103827 [2,0,0,0,0,0|0,0,0]=2 259 B7R0.4 CCCCCC(=O)Cl H102419 [2,0,0,0,0,0|1,0,0]=3 260 B7R0.4 CCCCCC(=O)Cl H130076 [2,0,0,0,0,0|1,0,0]=3 261 B7R0.4 CCCCCC(=O)N H157108 [2,0,0,0,0,0|1,0,0]=3 262 B7R0.4 CCCCCC(=O)O H103630 [2,0,0,0,0,0|1,0,0]=3 263 B7R0.4 CCCCCC(=O)O H103631 [2,0,0,0,0,0|1,0,0]=3 264 B7R0.4 CCCCCC(=O)O H103632 [2,0,0,0,0,0|1,0,0]=3 265 B7R0.4 CCCCCC(=O)O H278778 [2,0,0,0,0,0|1,0,0]=3 266 B7R0.4 CCCCCC(=O)O H432079 [2,0,0,0,0,0|1,0,0]=3 267 B7R0.4 CCCCCC(=O)[O-] S161313 [2,0,0,0,0,0|1,0,0]=3 268 B7R0.4 CCCCCC(C)C M113649 [2,0,0,0,0,0|1,0,1]=4 269 B7R0.4 CCCCCC(C)C M406726 [2,0,0,0,0,0|1,0,1]=4 270 B7R0.4 CCCCCC(C)N A166657 [2,0,0,0,0,0|1,0,1]=4 271 B7R0.4 CCCCCC(C)N A421028 [2,0,0,0,0,0|1,0,1]=4 272 B7R0.4 CCCCCC(C)N S474322 [2,0,0,0,0,0|1,0,1]=4 273 B7R0.4 CCCCCC(C)O H100747 [2,0,0,0,0,0|0,0,2]=4 274 B7R0.4 CCCCCC(C)O I137289 [2,0,0,0,0,0|0,0,2]=4 275 B7R0.4 CCCCNC(=O)N B152704 [2,0,0,0,0,0|2,0,0]=4 276 B7R0.4 CCCCOC(=O)C B116224 [2,0,0,0,0,0|1,0,0]=3 277 B7R0.4 CCCCOC(=O)C B116225 [2,0,0,0,0,0|1,0,0]=3 278 B7R0.4 CCCCOC(=O)C B116227 [2,0,0,0,0,0|1,0,0]=3 279 B7R0.4 CCCCOC(=O)C B116228 [2,0,0,0,0,0|1,0,0]=3 280 B7R0.4 CCCCOC(=O)C B119685 [2,0,0,0,0,0|1,0,0]=3 281 B7R0.4 CCCCOC(=O)N B152422 [2,0,0,0,0,0|2,0,0]=4 282 B7R0.4 CCOCCC(=O)C E156453 [2,0,0,0,0,0|1,0,0]=3 283 B7R0.4 CCOCCC(=O)O E156172 [2,0,0,0,0,0|2,0,0]=4 284 B7R0.4 CNCCCC(=O)O M276212 [2,0,0,0,0,0|2,0,0]=4 285 B7R0.4 CNCCCC(=O)O M397624 [2,0,0,0,0,0|2,0,0]=4 286 B7R0.4 COCCCC(=O)O M192558 [2,0,0,0,0,0|2,0,0]=4 287 B7R0.4 [CH]CCCCC(=O)[N] P111447 [2,0,0,0,0,0|1,0,1]=4 288 B7R0.4 [CH]CCCCC(=O)[N] P128923 [2,0,0,0,0,0|1,0,1]=4 289 B9R0.45 C=CCCC=CCCC=C D155267 [1,1,0,0,0,0|0,0,2]=4 290 B9R0.45 C=CCCCCCCC=C D155279 [1,1,0,0,0,0|0,0,1]=3 291 B9R0.45 C=CCCCCCCCBr B405165 [1,1,0,0,0,0|0,0,1]=3 292 B9R0.45 C=COCCCCOC=C B472435 [1,1,0,0,0,0|1,0,1]=4 293 B9R0.45 CCC=CCCCCC=O I168780 [1,1,0,0,0,0|0,0,2]=4 294 B9R0.45 CCCCCCC=CC=O T162631 [1,1,0,0,0,0|0,0,2]=4 295 B9R0.45 CCCCCCCCC=C D106872 [1,1,0,0,0,0|0,0,1]=3 296 B9R0.45 CCCCCCCCC=C D106873 [1,1,0,0,0,0|0,0,1]=3 297 B9R0.45 CCCCCCCCC=O N111142 [1,1,0,0,0,0|0,0,2]=4 298 B9R0.1 CCC(C)OCCC(=O)C S161386 [1,1,0,0,0,0|1,0,1]=4 299 B9R0.4 CC(=O)CC(=O)OCC=C A111254 [1,1,0,0,0,0|1,0,1]=4 300 B9R0.4 CC(=O)CC(=O)OCC=C A298696 [1,1,0,0,0,0|1,0,1]=4 301 B9R0.4 CCCCC(CC(=O)O)N A165644 [1,1,0,0,0,0|1,0,1]=4 302 B9R0.47 C(CCN)CC(C(=O)O)N D139442 [1,1,0,0,0,0|2,0,0]=4 303 B9R0.47 C(CCN)CC(C(=O)O)N D352421 [1,1,0,0,0,0|2,0,0]=4 304 B9R0.47 C(CCN)CC(C(=O)O)N D420109 [1,1,0,0,0,0|2,0,0]=4 305 B9R0.47 C(CCN)CC(C(=O)O)N L103479 [1,1,0,0,0,0|2,0,0]=4 306 B9R0.47 C(CCN)CC(C(=O)O)N L105432 [1,1,0,0,0,0|2,0,0]=4 307 B9R0.47 C(CCN)CC(C(=O)O)N L109219 [1,1,0,0,0,0|2,0,0]=4 308 B9R0.47 C(CCN)CC(C(=O)O)N L111313 [1,1,0,0,0,0|2,0,0]=4 309 B9R0.47 C(CCN)CC(C(=O)O)N L113005 [1,1,0,0,0,0|2,0,0]=4 310 B9R0.47 C(CCN)CC(C(=O)O)N L113006 [1,1,0,0,0,0|2,0,0]=4 311 B9R0.47 C(CCN)CC(C(=O)O)N L116990 [1,1,0,0,0,0|2,0,0]=4 312 B9R0.47 C(CCN)CC(C(=O)O)N L117216 [1,1,0,0,0,0|2,0,0]=4 313 B9R0.47 C(CCN)CC(C(=O)O)N L192467 [1,1,0,0,0,0|2,0,0]=4 314 B9R0.47 C(CCN)CC(C(=O)O)N L424803 [1,1,0,0,0,0|2,0,0]=4 315 B9R0.47 C(CCN)CC(C(=O)O)N L425318 [1,1,0,0,0,0|2,0,0]=4 316 B9R0.47 C(CCN)CC(C(=O)O)N L478519 [1,1,0,0,0,0|2,0,0]=4 317 B9R0.47 C(CCN)CC(C(=O)O)N L598932 [1,1,0,0,0,0|2,0,0]=4 318 B9R0.47 C(CCN)CC(C(=O)O)N P477773 [1,1,0,0,0,0|2,0,0]=4 319 B9R0.47 C(CCN)CC(C(=O)O)N P477795 [1,1,0,0,0,0|2,0,0]=4 320 B9R0.47 C(CCN)CC(C(=O)O)N P477809 [1,1,0,0,0,0|2,0,0]=4 321 B9R0.47 C(CCN)CC(C(=O)O)N S133419 [1,1,0,0,0,0|2,0,0]=4 322 B9R0.47 C(CCN)CC(C(=O)O)N S161260 [1,1,0,0,0,0|2,0,0]=4 323 B9R0.47 C(CCN)CC(C(=O)O)N S193835 [1,1,0,0,0,0|2,0,0]=4 324 B9R0.47 C=CCSCC(C(=O)O)N I137523 [1,1,0,0,0,0|2,0,0]=4 325 B9R0.47 CCCCCC(=O)C(=O)C O589566 [1,1,0,0,0,0|0,0,2]=4 326 B9R0.47 CCCCCC(C(=O)O)N D137428 [1,1,0,0,0,0|1,0,1]=4 327 B9R0.47 CCCCCC(C(=O)O)N S193453 [1,1,0,0,0,0|1,0,1]=4 328 B9R0.47 CCCCCC(C)C(=O)O M102645 [1,1,0,0,0,0|1,0,1]=4 329 B9R0.55 C(CCC(=O)Cl)CC(=O)Cl A109761 [1,1,0,0,0,0|2,0,0]=4 330 B9R0.55 C(CCC(=O)N)CC(=O)N A151413 [1,1,0,0,0,0|2,0,0]=4 331 B9R0.55 C(CCC(=O)O)CC(=O)O A108264 [1,1,0,0,0,0|2,0,0]=4 332 B9R0.55 C(CCC(=O)O)CC(=O)O A108265 [1,1,0,0,0,0|2,0,0]=4 333 B9R0.55 C(CCC(=O)O)CC(=O)O A108266 [1,1,0,0,0,0|2,0,0]=4 334 B9R0.55 C(CCC(=O)O)CC(=O)O A119540 [1,1,0,0,0,0|2,0,0]=4 335 B9R0.55 C(CCC(=O)O)CC(=O)O A421037 [1,1,0,0,0,0|2,0,0]=4 336 B9R0.55 C(CCC(=O)O)CC(=O)O A431648 [1,1,0,0,0,0|2,0,0]=4 337 B9R0.55 C(CCC(=O)O)CC(=O)O P160731 [1,1,0,0,0,0|2,0,0]=4 338 B9R0.55 C(CCC(=O)O)CC(=O)O P341826 [1,1,0,0,0,0|2,0,0]=4 339 B9R0.55 C(CCC(=O)O)CC(=O)O P421581 [1,1,0,0,0,0|2,0,0]=4 340 B9R0.55 C(CCC(=O)[O-])CC(=O)[O-] A299362 [1,1,0,0,0,0|2,0,0]=4 341 B9R0.55 C(CCC(=O)[O-])CC(=O)[O-] D154297 [1,1,0,0,0,0|2,0,0]=4 342 B9R0.55 CC(=O)CCCCC(=O)O O135071 [1,1,0,0,0,0|1,0,0]=3 343 B9R0.55 CC(=O)NCCCC(=O)O A169398 [1,1,0,0,0,0|2,0,0]=4 344 B9R0.55 CC(C)CCCCC(=O)O M304994 [1,1,0,0,0,0|1,0,1]=4 345 B11R0.30 C(CCCC(=O)Cl)CCC(=O)Cl S160984 [0,2,0,0,0,0|1,0,1]=4 346 B11R0.30 C(CCCC(=O)O)CCC(=O)O S105586 [0,2,0,0,0,0|1,0,1]=4 347 B11R0.30 CC(=O)NCCCCCC(=O)O A300350 [0,2,0,0,0,0|1,0,0]=3 348 B11R0.40 CCCCCCCCC(=O)CC U162908 [0,2,0,0,0,0|0,0,2]=4 349 B11R0.40 CCCCCCCCC(=O)OC M114396 [0,2,0,0,0,0|0,0,2]=4 350 B11R0.40 CCCCCCCCC(=O)OC M123199 [0,2,0,0,0,0|0,0,2]=4 351 B11R0.40 COC(=O)CCCCCCCBr M588500 [0,2,0,0,0,0|0,0,2]=4 352 B11R0.111 COC(=O)CCCCCC(=O)O M588000 [0,2,0,0,0,0|1,0,0]=3 353 B11R0.148 C=CCCCCCCCC(=O)O D155291 [0,2,0,0,0,0|1,0,0]=3 354 B11R0.148 CCCCCCCCCC(=O)C U109753 [0,2,0,0,0,0|0,0,2]=4 355 B11R0.148 CCCCCCCCCC(=O)C U109754 [0,2,0,0,0,0|0,0,2]=4 356 B11R0.148 CCCCCCCCCC(=O)C U109755 [0,2,0,0,0,0|0,0,2]=4 357 B11R0.148 CCCCCCCCOC(=O)C O102935 [0,2,0,0,0,0|0,0,2]=4 358 B11R0.154 CCCCCC(CC(=O)OC)O M275874 [0,2,0,0,0,0|0,0,2]=4 359 B11R0.29 C(CCC(=O)O)CC(C(=O)O)N A589712 [0,2,0,0,0,0|2,0,0]=4 360 B11R0.4 CCCCCCCC(=O)CCC U162909 [0,2,0,0,0,0|0,0,2]=4 361 B11R0.4 CCCCCCCC(=O)OCC E101042 [0,2,0,0,0,0|0,0,2]=4 362 B11R0.4 CCCCCCCC(=O)OCC E101043 [0,2,0,0,0,0|0,0,2]=4 363 B11R0.4 CCOC(=O)CCCCCCBr E133361 [0,2,0,0,0,0|1,0,1]=4 364 B11R0.4 CCOC(=O)CCCCCCN A183507 [0,2,0,0,0,0|1,0,1]=4 365 B11R0.142 CCCCCCC(C(=O)OC)Br M193859 [0,2,0,0,0,0|0,0,2]=4 366 B9R1.5 C1CCC(C(=O)CC1)Cl C153943 [1,0,0,1,0,0|1,0,1]=4 367 B9R1.5 CN1CCCCCC1=O N159776 [1,0,0,1,0,0|1,0,1]=4 368 B9R1.8 C=CCC1CCCCC1 A151092 [1,0,0,1,0,0|0,0,1]=3 369 B9R1.8 C=COC1CCCCC1 C135586 [1,0,0,1,0,0|1,0,1]=4 370 B9R1.15 C1CCC(=O)C(C1)C#N O589158 [1,0,0,1,0,0|1,0,1]=4 371 B9R1.15 COC1CCCCC1=O M158813 [1,0,0,1,0,0|1,0,1]=4 372 B9R1.50 C1CCCC(=O)CCC1 C106984 [1,0,0,1,0,0|0,0,2]=4 373 B9R1.50 C1CCCNC(=O)CC1 O159930 [1,0,0,1,0,0|1,0,1]=4 374 B9R1.6 C1CCC(=CC1)C(=O)O C106976 [1,0,0,1,0,0|1,0,1]=4 375 B9R1.6 C1CCC(CC1)C(=O)Cl B115115 [1,0,0,1,0,0|1,0,1]=4 376 B9R1.6 C1CCC(CC1)C(=O)N C131942 [1,0,0,1,0,0|1,0,1]=4 377 B9R1.6 C1CCC(CC1)C(=O)O C110756 [1,0,0,1,0,0|1,0,1]=4 378 B9R1.6 C1CCNC(C1)C(=O)N P160119 [1,0,0,1,0,0|2,0,0]=4 379 B9R1.6 C1CCNC(C1)C(=O)O D331240 [1,0,0,1,0,0|2,0,0]=4 380 B9R1.6 C1CCNC(C1)C(=O)O D358401 [1,0,0,1,0,0|2,0,0]=4 381 B9R1.6 C1CCNC(C1)C(=O)O D424577 [1,0,0,1,0,0|2,0,0]=4 382 B9R1.6 C1CCNC(C1)C(=O)O H100528 [1,0,0,1,0,0|2,0,0]=4 383 B9R1.6 C1CCNC(C1)C(=O)O P101393 [1,0,0,1,0,0|2,0,0]=4 384 B9R1.6 C1CCNC(C1)C(=O)O P106214 [1,0,0,1,0,0|2,0,0]=4 385 B9R1.6 C1CCNC(C1)C(=O)O S136371 [1,0,0,1,0,0|2,0,0]=4 386 B9R1.6 C1CCNC(C1)C(=O)O S192036 [1,0,0,1,0,0|2,0,0]=4 387 B9R1.6 CC(=O)C1CCCCC1 C139296 [1,0,0,1,0,0|0,0,1]=3 388 B9R1.6 CC(=O)N1CCCCC1 A151604 [1,0,0,1,0,0|1,0,1]=4 389 B9R1.7 CCCC1CCC(=O)O1 H111340 [1,0,0,1,0,0|1,0,1]=4 390 B9R1.13 C1CC(C=C1)CC(=O)O C167097 [1,0,0,1,0,0|1,0,0]=3 391 B9R1.13 C1CC(NC1)CC(=O)O L465252 [1,0,0,1,0,0|2,0,0]=4 392 B9R1.13 C1CC(OC1)CC(=O)O T354856 [1,0,0,1,0,0|2,0,0]=4 393 B9R1.13 C1CCC(C1)CC(=O)O C113786 [1,0,0,1,0,0|1,0,1]=4 394 B9R1.41 CC(=O)C1CCCC1=O A100983 [1,0,0,1,0,0|1,0,0]=3 395 B9R1.41 CC(=O)C1CCCC1=O A489643 [1,0,0,1,0,0|1,0,0]=3 396 B9R1.41 CC(=O)C1CCOC1=O A108065 [1,0,0,1,0,0|2,0,0]=4 397 B9R1.41 CC(=O)N1CCCC1=O A151305 [1,0,0,1,0,0|2,0,0]=4 398 B9R1.48 C1CCC(=O)CC(=O)C1 W134267 [1,0,0,1,0,0|1,0,0]=3 399 B9R1.48 C1CCC(=O)OC(=O)C1 O588008 [1,0,0,1,0,0|2,0,0]=4 400 B11R1.90 C1CC(=O)N(C1)CCC(=O)O O347695 [0,1,0,1,0,0|2,0,0]=4 401 B11R1.143 CC(=O)N1CCCCCC1=O N159775 [0,1,0,1,0,0|1,0,0]=3 402 B11R1.156 CC(=O)C1C(=O)CCCC1=O A472443 [0,1,0,1,0,0|1,0,1]=4 403 B11R1.40 COC(=O)CC1CCCCC1 M133230 [0,1,0,1,0,0|0,0,2]=4 404 B11R1.40 COC(=O)CC1CCCCC1 M491852 [0,1,0,1,0,0|0,0,2]=4 405 B11R1.222 COC(=O)C1CCCNC1=O M586282 [0,1,0,1,0,0|2,0,0]=4 406 B11R1.222 COC(=O)C1CNCCC1=O M119136 [0,1,0,1,0,0|2,0,0]=4 407 B11R1.222 COC(=O)C1COCCC1=O M190448 [0,1,0,1,0,0|2,0,0]=4 408 B11R1.228 COC(=O)CN1CCCC1=O M158433 [0,1,0,1,0,0|2,0,0]=4 409 B11R1.178 CC(=O)N1CCCC1C(=O)O A109365 [0,1,0,1,0,0|2,0,0]=4 410 B11R1.178 CC(=O)N1CCCC1C(=O)O A117204 [0,1,0,1,0,0|2,0,0]=4 411 B11R1.178 CC(=O)N1CCCC1C(=O)O A179290 [0,1,0,1,0,0|2,0,0]=4 412 B11R2.202 C1CC2C(C1)C(=O)OC2=O I169885 [0,0,0,2,0,0|2,0,0]=4 413 B11R2.845 C1C2CC(C1C=C2)C(=O)O E469877 [0,0,0,2,0,0|1,0,0]=3 414 B11R2.845 C1C2CC(C1C=C2)C(=O)O N111450 [0,0,0,2,0,0|1,0,0]=3 415 B11R2.845 CC(=O)C1CC2CC1C=C2 V100755 [0,0,0,2,0,0|0,0,0]=2 416 B11R2.533 CC1(C2CCC(=C)C1C2)C B190445 [0,0,0,2,0,0|1,0,1]=4 417 B11R2.533 CC1(C2CCC(=C)C1C2)C P108922 [0,0,0,2,0,0|1,0,1]=4 418 B11R2.533 CC1(C2CCC(=C)C1C2)C P108923 [0,0,0,2,0,0|1,0,1]=4 419 B11R2.432 CN1C2CCC1CC(=O)C2 T100904 [0,0,0,2,0,0|1,0,1]=4 420 B11R2.432 CN1C2CCC1CC(=O)C2 T424557 [0,0,0,2,0,0|1,0,1]=4