0 B19R0.149 C#CCCCCCCCCCCCCCCCC(=O)O Amb19930518 [0,0,0,0,0,0|0,0,4]=4 1 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)Cl Amb16232724 [0,0,0,0,0,0|1,0,2]=3 2 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O Amb2708782 [0,0,0,0,0,0|0,0,2]=2 3 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O Amb34195662 [0,0,0,0,0,0|0,0,2]=2 4 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] Amb20246452 [0,0,0,0,0,0|0,0,3]=3 5 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] Amb21962914 [0,0,0,0,0,0|0,0,3]=3 6 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] Amb22276139 [0,0,0,0,0,0|0,0,3]=3 7 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] Amb6366566 [0,0,0,0,0,0|0,0,3]=3 8 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] Amb8516681 [0,0,0,0,0,0|0,0,3]=3 9 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] Amb8517289 [0,0,0,0,0,0|0,0,3]=3 10 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] Amb9787727 [0,0,0,0,0,0|0,0,3]=3 11 B19R0.149 CCCCCCCCCCCCCCCCCC(C)=O Amb6366421 [0,0,0,0,0,0|1,0,2]=3 12 B19R0.149 CCCCCCCCCCCCCCCCNC(C)=O Amb3734342 [0,0,0,0,0,0|2,0,2]=4 13 B19R0.149 CCCCCCCCCCCCCCCCOC(=O)Cl Amb19944676 [0,0,0,0,0,0|2,0,2]=4 14 B19R0.149 CCCCCCCCCCCCCCCCOC(C)=O Amb9787518 [0,0,0,0,0,0|2,0,2]=4 15 B19R0.149 CCCCCCCCCCC\C=C\CCCCC(=O)O Amb22732392 [0,0,0,0,0,0|0,0,4]=4 16 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(=O)O Amb22432561 [0,0,0,0,0,0|0,0,0]=0 17 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(=O)O Amb6600107 [0,0,0,0,0,0|0,0,0]=0 18 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(=O)[O-] Amb19960036 [0,0,0,0,0,0|0,0,1]=1 19 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(=O)[O-] Amb8514496 [0,0,0,0,0,0|0,0,1]=1 20 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(N)=O Amb17618835 [0,0,0,0,0,0|1,0,0]=1 21 B19R0.149 CCCCCCCC\C=C\CCCCCCCC(=O)Cl Amb20001478 [0,0,0,0,0,0|1,0,0]=1 22 B19R0.149 CCCCCCCC\C=C\CCCCCCCC(=O)O Amb33987863 [0,0,0,0,0,0|0,0,0]=0 23 B19R0.149 CCCCCCCC\C=C\CCCCCCCC(=O)O Amb7809233 [0,0,0,0,0,0|0,0,0]=0 24 B19R0.149 CCCCCC\C=C\CCCCCCCCCC(=O)O Amb6297192 [0,0,0,0,0,0|0,0,4]=4 25 B19R0.149 CCCCC\C=C/C\C=C/CCCCCCCC(=O)O Amb6307468 [0,0,0,0,0,0|0,0,2]=2 26 B19R0.149 CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)O Amb6298380 [0,0,0,0,0,0|0,0,4]=4 27 B19R0.149 CCCCC\C=C\C\C=C\CCCCCCCC(=O)O Amb33961505 [0,0,0,0,0,0|0,0,2]=2 28 B19R0.149 CCCCC\C=C\C\C=C\CCCCCCCC(=O)[O-] Amb33982973 [0,0,0,0,0,0|0,0,3]=3 29 B19R0.149 CCCC\C=C\CC\C=C/CCCCCCOC(C)=O Amb21965170 [0,0,0,0,0,0|2,0,2]=4 30 B19R0.149 CC\C=C\C\C=C\C\C=C\CCCCCCCC(=O)O Amb533196 [0,0,0,0,0,0|0,0,4]=4 31 B19R0.149 O=C(O)CCCCCCCCCCCCCCCCBr Amb19887564 [0,0,0,0,0,0|1,0,2]=3 32 B18R0.176 CCCCCCCCCCCCCCCCC(=O)Cl Amb20672053 [1,0,0,0,0,0|1,0,1]=3 33 B18R0.176 CCCCCCCCCCCCCCCCC(=O)O Amb8515709 [1,0,0,0,0,0|0,0,1]=2 34 B18R0.176 CCCCCCCCCCCCCCCCC(=O)[O-] Amb22728751 [1,0,0,0,0,0|0,0,2]=3 35 B18R0.176 CCCCCCCCCCCCCCCNC(C)=O Amb31031069 [1,0,0,0,0,0|2,0,1]=4 36 B18R0.176 CCCCCCCCCCCCCCSCC(=O)O Amb8390847 [1,0,0,0,0,0|1,0,1]=3 37 B18R0.176 O=C(O)CCCCCCCCCCCCCCCBr Amb9788803 [1,0,0,0,0,0|1,0,1]=3 38 B18R0.176 O=C(O)CCCCCCCCCCCCCCCO Amb2701869 [1,0,0,0,0,0|1,0,1]=3 39 B18R0.221 CCCCCCCCCCCCCCCCCC=O Amb17673738 [1,0,0,0,0,0|0,0,2]=3 40 B18R0.221 CCCCCCCCCCCCCCCCCCO Amb8396381 [1,0,0,0,0,0|0,0,3]=4 41 B18R0.221 CCCCCCCC\C=C/CCCCCCCCO Amb8513278 [1,0,0,0,0,0|0,0,1]=2 42 B18R0.221 CCCCCCCC\C=C\CCCCCCCCN Amb33329353 [1,0,0,0,0,0|1,0,1]=3 43 B18R0.221 CCCCCCCC\C=C\CCCCCCCCN Amb33329422 [1,0,0,0,0,0|1,0,1]=3 44 B18R0.221 CCCCCCCC\C=C\CCCCCCCCN Amb33329425 [1,0,0,0,0,0|1,0,1]=3 45 B18R0.221 CCCCCCCC\C=C\CCCCCCCCO Amb2778975 [1,0,0,0,0,0|0,0,1]=2 46 B18R0.221 CCCCC\C=C/C\C=C/CCCCCCCCO Amb20240595 [1,0,0,0,0,0|0,0,3]=4 47 B18R0.221 CCCCC\C=C\C\C=C\CCCCCCCCO Amb33987739 [1,0,0,0,0,0|0,0,3]=4 48 B20R0.68 CCCCCCCCC(=O)CCCCCCCCC(=O)O Amb5718338 [0,1,0,0,0,0|0,0,1]=2 49 B20R0.68 CCCCCCCCC(O)CCCCCCCCC(=O)O Amb5718337 [0,1,0,0,0,0|0,0,2]=3 50 B20R0.90 CCCCCCC(O)CCCCCCCCCCC(=O)O Amb8517578 [0,1,0,0,0,0|0,0,2]=3 51 B20R0.90 CCCCCCC(O)CCCCCCCCCCC(=O)[O-] Amb28974725 [0,1,0,0,0,0|0,0,3]=4 52 B20R0.90 CCCCCCC(O)CCCCCCCCCCC(N)=O Amb3987182 [0,1,0,0,0,0|1,0,2]=4 53 B20R0.90 CCCCCC[C@@H](O)C\C=C/CCCCCCCC(=O)O Amb22348318 [0,1,0,0,0,0|0,0,0]=1 54 B20R0.90 CCCCCC[C@@H](O)C\C=C\CCCCCCCC(=O)O Amb34915173 [0,1,0,0,0,0|0,0,0]=1 55 B20R0.3034 CCCCCCCCCCCCCCCCCC(=O)CC Amb21618725 [0,1,0,0,0,0|1,0,2]=4 56 B20R0.3034 CCCCCCCCCCCCCCCCCC(=O)NC Amb7092027 [0,1,0,0,0,0|1,0,2]=4 57 B20R0.3034 CCCCCCCCCCCCCCCCCC(=O)OC Amb8517030 [0,1,0,0,0,0|0,0,2]=3 58 B20R0.3034 CCCCCCCC\C=C/CCCCCCCC(=O)OC Amb8516707 [0,1,0,0,0,0|0,0,0]=1 59 B20R0.3034 CCCCCCCC\C=C\CCCCCCCC(=O)OC Amb4379349 [0,1,0,0,0,0|0,0,0]=1 60 B20R0.3034 CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC Amb6307471 [0,1,0,0,0,0|0,0,2]=3 61 B20R0.3034 CCCCC\C=C\C\C=C\CCCCCCCC(=O)OC Amb31288713 [0,1,0,0,0,0|0,0,2]=3 62 B20R0.3034 COC(=O)CCCCCCCCCCCCCCCCBr Amb10071546 [0,1,0,0,0,0|1,0,2]=4 63 B20R0.3037 CCCCCCCCCCCCCCCCC(Br)C(=O)O Amb6366311 [0,1,0,0,0,0|0,0,2]=3 64 B20R0.3037 CCCCCCCCCCCCCCCCC(O)C(=O)O Amb21520312 [0,1,0,0,0,0|0,0,2]=3 65 B20R0.17440 CCCCCCCCCC(O)CCCCCCCC(=O)O Amb5718340 [0,1,0,0,0,0|0,0,2]=3 66 B20R0.22238 CCCCCCCCCCCCC(O)CCCCC(=O)O Amb10810452 [0,1,0,0,0,0|0,0,2]=3 67 B20R0.26099 O=C(O)CCCCCCCCCCCCCCC(Cl)CCl Amb10071529 [0,1,0,0,0,0|1,0,2]=4 68 B20R0.31940 CCCCCCCCCCCCCCCCCCC(=O)O Amb8514349 [0,1,0,0,0,0|0,0,2]=3 69 B20R0.31940 CCCCCCCC\C=C/CCCCCCCCN(C)C Amb15692635 [0,1,0,0,0,0|3,0,0]=4 70 B20R1.3309 CCCCCCCCCCCCCCC1CCC(=O)O1 Amb32405129 [0,0,0,1,0,0|0,0,2]=3 71 B17R0.43 C#CCCCCCCCCCCCCCC(=O)O Amb22642012 [2,0,0,0,0,0|0,0,2]=4 72 B17R0.43 CCCCCCCCCCCCCCCC(=O)Cl Amb8515345 [2,0,0,0,0,0|1,0,0]=3 73 B17R0.43 CCCCCCCCCCCCCCCC(=O)O Amb2708781 [2,0,0,0,0,0|0,0,0]=2 74 B17R0.43 CCCCCCCCCCCCCCCC(=O)O Amb32414662 [2,0,0,0,0,0|0,0,0]=2 75 B17R0.43 CCCCCCCCCCCCCCCC(=O)O Amb34915028 [2,0,0,0,0,0|0,0,0]=2 76 B17R0.43 CCCCCCCCCCCCCCCC(N)=O Amb9787492 [2,0,0,0,0,0|1,0,0]=3 77 B17R0.43 CCCCCCCCCCCCCCOC(C)=O Amb9787312 [2,0,0,0,0,0|2,0,0]=4 78 B17R0.43 CCCCCCCCCCCCSCCC(=O)O Amb1038996 [2,0,0,0,0,0|1,0,0]=3 79 B17R0.43 CCCCCCCCC\C=C/CCCCC(=O)O Amb21928725 [2,0,0,0,0,0|0,0,2]=4 80 B17R0.43 CCCCCCCCSCCCCCCC(=O)O Amb1038998 [2,0,0,0,0,0|1,0,0]=3 81 B17R0.43 CCCCCCCC\C=C\CCCCCC(=O)O Amb31031047 [2,0,0,0,0,0|0,0,0]=2 82 B17R0.43 CCCCCC\C=C\CCCCCCCC(=O)O Amb33723687 [2,0,0,0,0,0|0,0,0]=2 83 B17R0.43 NCCCCCCCCCCCCCCC(=O)O Amb33624987 [2,0,0,0,0,0|1,0,0]=3 84 B17R0.43 O=C(O)CCCCCCCCCCCCCCBr Amb16231526 [2,0,0,0,0,0|1,0,0]=3 85 B17R0.117 CCCCCCCCCCCCCCCCCO Amb8514599 [2,0,0,0,0,0|0,0,2]=4 86 B17R0.117 OCCCCCCC\C=C/CCCCCCCO Amb22641808 [2,0,0,0,0,0|1,0,0]=3 87 B19R0.148 CCCCCCCCCCCCCCCCC(=O)OC Amb9825438 [1,1,0,0,0,0|0,0,1]=3 88 B19R0.148 CCCCCC\C=C/CCCCCCCCC(=O)OC Amb22352444 [1,1,0,0,0,0|0,0,2]=4 89 B19R0.148 COC(=O)CCCCCCCCCCCCCCCBr Amb10071547 [1,1,0,0,0,0|1,0,1]=4 90 B19R0.36 OCCCCCCCC\C=C/CCCCCCCCO Amb21928952 [1,1,0,0,0,0|0,0,1]=3 91 B21R0.9111 CCCCCCCCC(O)C(O)CCCCCCCC(=O)O Amb5718336 [0,2,0,0,0,0|0,0,2]=4 92 B21R0.9111 CCCCCCCC[C@@H](O)[C@@H](O)CCCCCCCC(=O)O Amb22799607 [0,2,0,0,0,0|0,0,2]=4 93 B21R0.10777 CCCCCCCCC(=O)CCCCCCCCC(=O)OC Amb2747294 [0,2,0,0,0,0|0,0,1]=3 94 B21R0.14440 CCC(O)C(O)C\C=C/C\C=C/CCCCCCCC(=O)O Amb23440471 [0,2,0,0,0,0|0,0,2]=4 95 B21R0.2907 C=COC(=O)CCCCCCCCCCCCCCCCC Amb17672567 [0,2,0,0,0,0|0,0,2]=4 96 B21R0.2907 C=COC(=O)CCCCCCC\C=C\CCCCCCCC Amb17672569 [0,2,0,0,0,0|0,0,0]=2 97 B21R0.2907 CCCCCCCCCCCCCCCCCC(=O)OCC Amb9787597 [0,2,0,0,0,0|0,0,2]=4 98 B21R0.2907 CCCCCCCCCCCCCCCCCC(=O)OCI Amb32413738 [0,2,0,0,0,0|0,0,2]=4 99 B21R0.2907 CCCCCCCC\C=C/CCCCCCCC(=O)OCC Amb8515780 [0,2,0,0,0,0|0,0,0]=2 100 B21R0.2907 CCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC Amb8628520 [0,2,0,0,0,0|0,0,2]=4 101 B21R0.2907 CCCCC\C=C\C\C=C\CCCCCCCC(=O)OCC Amb4379311 [0,2,0,0,0,0|0,0,2]=4 102 B21R0.36766 CCCCCCCCCCCCCCCCCCC(=O)OC Amb18511748 [0,2,0,0,0,0|0,0,2]=4 103 B21R0.81 CCCCCCCCCCCCCCCCCCCC(=O)O Amb569790 [0,2,0,0,0,0|0,0,2]=4 104 B21R0.81 CCCCCCCC\C=C/CCCCCCCCCC(=O)O Amb22337523 [0,2,0,0,0,0|0,0,0]=2 105 B21R0.81 CCCCC\C=C\C\C=C\CCCCCCCCCC(=O)O Amb21928664 [0,2,0,0,0,0|0,0,2]=4 106 B21R0.81 CCCCC\C=C\C\C=C\C\C=C\CCCCCCC(=O)O Amb30594182 [0,2,0,0,0,0|0,0,2]=4 107 B21R0.81 O=C(O)CCCCCCCCCCCCCCCCCCBr Amb10071516 [0,2,0,0,0,0|0,0,2]=4 108 B21R0.9014 O=C(O)CCCCCCC\C=C\CCCCCCCC(=O)O Amb21856100 [0,2,0,0,0,0|0,0,1]=3 109 B19R1.46541 CCCCCC[C@H]1C[C@H]1CCCCCCCC(=O)O Amb33931323 [1,0,0,1,0,0|0,0,1]=3 110 B21R1.17805 CCCCCCCCC1OC1CCCCCCCC(=O)O Amb3986889 [0,1,0,1,0,0|0,0,2]=4