0 B11R0.3 BrCCCCCCCCCCBr F11241 [0,0,0,0,0,0|2,0,2]=4 1 B11R0.3 C#CCCCCCCCCCC F10501 [0,0,0,0,0,0|1,0,3]=4 2 B11R0.3 C#CCCCCCCCCCO AT18750 [0,0,0,0,0,0|0,0,4]=4 3 B11R0.3 C=CCCCCCCCCCBr H10581 [0,0,0,0,0,0|1,0,1]=2 4 B11R0.3 C=CCCCCCCCCCC D70997 [0,0,0,0,0,0|1,0,1]=2 5 B11R0.3 C=CCCCCCCCCCO 74208 [0,0,0,0,0,0|0,0,2]=2 6 B11R0.3 CCCCCCCCCCC=O H10685 [0,0,0,0,0,0|0,0,2]=2 7 B11R0.3 CCCCCCCCCCCCl D89276 [0,0,0,0,0,0|1,0,3]=4 8 B11R0.3 CCCCCCCCCCCN D88318 [0,0,0,0,0,0|1,0,3]=4 9 B11R0.3 CCCCCCCCCCCO C14193 [0,0,0,0,0,0|0,0,4]=4 10 B11R0.3 CCCCCCCC\C=C\C=O A11393 [0,0,0,0,0,0|0,0,4]=4 11 B11R0.3 ClCCCCCCCCCCCl D89619 [0,0,0,0,0,0|2,0,2]=4 12 B11R0.3 ICCCCCCCCCCI D83366 [0,0,0,0,0,0|2,0,2]=4 13 B11R0.3 N#CCCCCCCCCC#N D92215 [0,0,0,0,0,0|2,0,2]=4 14 B11R0.3 NCCCCCCCCCCN D78157 [0,0,0,0,0,0|2,0,2]=4 15 B11R0.3 NCCCCCCCCCCO T70607 [0,0,0,0,0,0|1,0,3]=4 16 B11R0.3 OCCCCCCCCCCBr S12028 [0,0,0,0,0,0|1,0,3]=4 17 B11R0.3 OCCCCCCCCCCCl A10970 [0,0,0,0,0,0|1,0,3]=4 18 B11R0.3 OCCCCCCCCCCO D70495 [0,0,0,0,0,0|1,0,3]=4 19 B11R0.3 SCCCCCCCCCCS D89576 [0,0,0,0,0,0|1,1,2]=4 20 B10R0.71 BrCCCCCCCCCBr O10362 [1,0,0,0,0,0|2,0,1]=4 21 B10R0.71 C#CCCCCCCCCO F16255 [1,0,0,0,0,0|0,0,3]=4 22 B10R0.71 C=CCCCCCCCCBr 29297 [1,0,0,0,0,0|1,0,0]=2 23 B10R0.71 CCCCCCCCCCI D95272 [1,0,0,0,0,0|1,0,2]=4 24 B10R0.71 CCCCCCCCCCN C93407 [1,0,0,0,0,0|1,0,2]=4 25 B10R0.71 CCCCCCCCCCS D94658 [1,0,0,0,0,0|0,1,2]=4 26 B10R0.71 CCCCCCCCN=C=O D94691 [1,0,0,0,0,0|1,0,2]=4 27 B10R0.71 CCCCCCCCNC=O D91867 [1,0,0,0,0,0|1,0,1]=3 28 B10R0.71 CCCCCCC\C=C\C=O A11384 [1,0,0,0,0,0|0,0,3]=4 29 B10R0.71 ClCCCCCCCCCCl 35145 [1,0,0,0,0,0|2,0,1]=4 30 B10R0.71 NCCCCCCCCCN F16023 [1,0,0,0,0,0|2,0,1]=4 31 B10R0.71 OCCCCCCCCCBr 54800 [1,0,0,0,0,0|1,0,2]=4 32 B10R0.71 OCCCCCCCCCCl D94653 [1,0,0,0,0,0|1,0,2]=4 33 B10R0.71 OCCCCCCCCCO F20315 [1,0,0,0,0,0|1,0,2]=4 34 B10R0.71 SCCCCCCCCCS D97848 [1,0,0,0,0,0|1,1,1]=4 35 B12R0.5 C=CCCCCCCCCCCBr A11303 [0,1,0,0,0,0|1,0,1]=3 36 B12R0.5 C=CCCCCCCCCCCC D92374 [0,1,0,0,0,0|1,0,1]=3 37 B12R0.5 CCCCCCCCCCCC=O D77654 [0,1,0,0,0,0|0,0,2]=3 38 B12R0.234 C#CCCCCCCCCC(=O)O AT18751 [0,1,0,0,0,0|0,0,2]=3 39 B12R0.234 C=CCCCCCCCCC(=O)O P19683 [0,1,0,0,0,0|0,0,0]=1 40 B12R0.234 CCCCCCCCCCC(=O)Cl D92750 [0,1,0,0,0,0|0,0,2]=3 41 B12R0.234 CCCCCCCCCCC(=O)O P19940 [0,1,0,0,0,0|0,0,2]=3 42 B12R0.234 CCCCCCCCCCC(C)=O D89937 [0,1,0,0,0,0|0,0,2]=3 43 B12R0.234 CCCCCCCCCOC(=O)Cl D88620 [0,1,0,0,0,0|1,0,2]=4 44 B12R0.234 CCCCCCCCOCC(=O)O D82573 [0,1,0,0,0,0|1,0,2]=4 45 B12R0.234 NCCCCCCCCCC(=O)O C72238 [0,1,0,0,0,0|1,0,1]=3 46 B12R0.234 O=C(O)CCCCCCCCCBr AC1279 [0,1,0,0,0,0|1,0,1]=3 47 B12R0.234 O=C(O)CCCCCCCCCO 36747 [0,1,0,0,0,0|1,0,1]=3 48 B12R0.248 C=CCCCCCCCC(=O)OC A11197 [0,1,0,0,0,0|2,0,1]=4 49 B12R1.18 NCCCN1CCCCCC1=O F14229 [0,0,0,1,0,0|2,0,1]=4 50 B12R1.372 CCCCCCN1CCCC1=O 68655 [0,0,0,1,0,0|1,0,2]=4 51 B12R1.550 C1=CCCCCCCCCCC1 D89251 [0,0,0,1,0,0|1,0,1]=3 52 B9R0.45 BrCCCCCCCCBr O10358 [2,0,0,0,0,0|2,0,0]=4 53 B9R0.45 C#CCCCCCCCC F11366 [2,0,0,0,0,0|0,0,2]=4 54 B9R0.45 C=CCCCCCCC=C D89618 [2,0,0,0,0,0|0,0,1]=3 55 B9R0.45 C=CCCCCCCCBr I11993 [2,0,0,0,0,0|1,0,0]=3 56 B9R0.45 C=CCCCCCCCCl N12233 [2,0,0,0,0,0|1,0,0]=3 57 B9R0.45 C=CCCCCCCCO D91757 [2,0,0,0,0,0|0,0,1]=3 58 B9R0.45 CCCCCCCCC#N D91888 [2,0,0,0,0,0|1,0,1]=4 59 B9R0.45 CCCCCCCCCI D91171 [2,0,0,0,0,0|1,0,1]=4 60 B9R0.45 CCCCCCCCCO D70513 [2,0,0,0,0,0|0,0,2]=4 61 B9R0.45 CCCCCCCCNC O12029 [2,0,0,0,0,0|1,0,1]=4 62 B9R0.45 CCCCCC\C=C\C=O D91718 [2,0,0,0,0,0|0,0,2]=4 63 B9R0.45 ClCCCCCCCCCl O10360 [2,0,0,0,0,0|2,0,0]=4 64 B9R0.45 ICCCCCCCCI F19540 [2,0,0,0,0,0|2,0,0]=4 65 B9R0.45 NCCCCCCCCN F21311 [2,0,0,0,0,0|2,0,0]=4 66 B9R0.45 NCCCCCCCCO H11908 [2,0,0,0,0,0|1,0,1]=4 67 B9R0.45 OCCCCCCCCBr 54574 [2,0,0,0,0,0|1,0,1]=4 68 B9R0.45 OCCCCCCCCCl AC2187 [2,0,0,0,0,0|1,0,1]=4 69 B9R0.45 OCCCCCCCCO O12036 [2,0,0,0,0,0|1,0,1]=4 70 B9R0.45 SCCCCCCCCS D91866 [2,0,0,0,0,0|1,1,0]=4 71 B11R0.148 C=CCCCCCCCC(=O)O N12000 [1,1,0,0,0,0|0,0,0]=2 72 B11R0.148 C=CCCCCCCOC(C)=O D88443 [1,1,0,0,0,0|1,0,0]=3 73 B11R0.148 CCCCCCCCCC(=O)O D70225 [1,1,0,0,0,0|0,0,1]=3 74 B11R0.148 CCCCCCCCCC(=O)[O-] F19532 [1,1,0,0,0,0|0,0,1]=3 75 B11R0.148 CCCCCCCCCC(C)=O F17694 [1,1,0,0,0,0|0,0,1]=3 76 B11R0.148 CCCCCCCCCC(N)=O D89393 [1,1,0,0,0,0|0,0,1]=3 77 B11R0.148 CCCCCCCCC[13C](=O)O D78974 [1,1,0,0,0,0|0,0,1]=3 78 B11R0.148 CCCCCCCCOC(=O)Cl D89288 [1,1,0,0,0,0|1,0,1]=4 79 B11R0.148 O=C(O)CCCCCCCCBr 54506 [1,1,0,0,0,0|1,0,0]=3 80 B11R0.148 O=C(O)CCCCCCCCO 29995 [1,1,0,0,0,0|1,0,0]=3 81 B13R0.54 CCCCCCCCCCCC(=O)[O-] D91228 [0,2,0,0,0,0|0,0,2]=4 82 B13R0.54 CCCCCCCCCCCC(=O)[O-] D92823 [0,2,0,0,0,0|0,0,2]=4 83 B13R0.54 CCCCCCCCCCCC(C)=O D78019 [0,2,0,0,0,0|0,0,2]=4 84 B13R0.54 CCCCCCCCCCCC(N)=O D91239 [0,2,0,0,0,0|0,0,2]=4 85 B13R0.54 CCCCCCCCCCOC(=O)Cl D89397 [0,2,0,0,0,0|0,0,2]=4 86 B13R0.54 CCCCCCCCCCOC(C)=O D88427 [0,2,0,0,0,0|0,0,2]=4 87 B13R0.54 NCCCCCCCCCCC(=O)O F14580 [0,2,0,0,0,0|0,0,2]=4 88 B13R0.54 O=C(O)CCCCCCCCCCBr 75165 [0,2,0,0,0,0|0,0,2]=4 89 B13R0.54 O=C(O)CCCCCCCCCCS F11363 [0,2,0,0,0,0|0,0,2]=4 90 B13R0.147 CCCCCCCCCCC(=O)OC 78282 [0,2,0,0,0,0|0,0,2]=4 91 B13R0.179 O=C(O)CCCCCCCCC(=O)O D70917 [0,2,0,0,0,0|1,0,0]=3 92 B13R1.6 CCCCCC[C@H]1CCCC(=O)O1 D70227 [0,1,0,1,0,0|0,0,2]=4 93 B13R1.279 O=C1CCCCCCCCCCC1 D97449 [0,1,0,1,0,0|0,0,2]=4 94 B13R1.27 CCCCCCC[C@H]1CCC(=O)O1 D70490 [0,1,0,1,0,0|0,0,2]=4 95 B13R1.674 C=CCOC(=O)[C@@H]1CCCCC1=O AC2195 [0,1,0,1,0,0|1,0,1]=4