0 B11R1.21 C=C(C)C1C=C(C)C(=O)CC1 Amb28141283 [0,0,0,0,0,0|2,0,2]=4 1 B11R1.21 C=C(C)C1C=CC(C)C(=O)C1 Amb27859404 [0,0,0,0,0,0|0,0,2]=2 2 B11R1.21 C=C(C)C1C=CC(C)C(O)C1 Amb28077847 [0,0,0,0,0,0|0,0,4]=4 3 B11R1.21 C=C(C)C1CC=C(C)C(=O)C1 Amb9702854 [0,0,0,0,0,0|0,0,0]=0 4 B11R1.21 C=C(C)C1CC=C(C)C(O)C1 Amb9825852 [0,0,0,0,0,0|0,0,2]=2 5 B11R1.21 C=C(C)C1CC=C(C)[C@@H](O)C1 Amb27197549 [0,0,0,0,0,0|0,0,2]=2 6 B11R1.21 C=C(C)C1CCC(C)=C(C)C1 Amb25258161 [0,0,0,0,0,0|1,0,1]=2 7 B11R1.21 C=C(C)C1CCC(C)C(=O)C1 Amb3940292 [0,0,0,0,0,0|0,0,2]=2 8 B11R1.21 C=C(C)C1CC[C@H](C)C(O)C1 Amb27823765 [0,0,0,0,0,0|0,0,4]=4 9 B11R1.21 C=C(C)C1CC[C@H](C)[C@@H](O)C1 Amb27978419 [0,0,0,0,0,0|0,0,4]=4 10 B11R1.21 C=C(C)[C@@H]1C=CC(=O)[C@H](C)C1 Amb28052437 [0,0,0,0,0,0|2,0,2]=4 11 B11R1.21 C=C(C)[C@@H]1CC=C(C)C(=O)C1 Amb533951 [0,0,0,0,0,0|0,0,0]=0 12 B11R1.21 C=C(C)[C@@H]1CC=C(C)[C@@H](O)C1 Amb24519549 [0,0,0,0,0,0|0,0,2]=2 13 B11R1.21 C=C(C)[C@@H]1CC=C(C)[C@H](N)C1 Amb27620466 [0,0,0,0,0,0|1,0,1]=2 14 B11R1.21 C=C(C)[C@@H]1CC=C(C)[C@H](O)C1 Amb26566212 [0,0,0,0,0,0|0,0,2]=2 15 B11R1.21 C=C(C)[C@@H]1CC[C@@H](C)C(=O)C1 Amb26925649 [0,0,0,0,0,0|0,0,2]=2 16 B11R1.21 C=C(C)[C@@H]1CC[C@@H](C)C(O)C1 Amb27255286 [0,0,0,0,0,0|0,0,4]=4 17 B11R1.21 C=C(C)[C@@H]1CC[C@@H](C)[C@H](O)C1 Amb22352956 [0,0,0,0,0,0|0,0,4]=4 18 B11R1.21 C=C(C)[C@@H]1CC[C@H](C)[C@@H](O)C1 Amb28076969 [0,0,0,0,0,0|0,0,4]=4 19 B11R1.21 C=C(C)[C@H]1C=C(C)C(=O)CC1 Amb27212534 [0,0,0,0,0,0|2,0,2]=4 20 B11R1.21 C=C(C)[C@H]1CC=C(C)C(=O)C1 Amb2718755 [0,0,0,0,0,0|0,0,0]=0 21 B11R1.21 C=C(C)[C@H]1CC=C(C)C(N)C1 Amb10842059 [0,0,0,0,0,0|1,0,1]=2 22 B11R1.21 C=C(C)[C@H]1CC=C(C)C(O)C1 Amb25920813 [0,0,0,0,0,0|0,0,2]=2 23 B11R1.21 C=C(C)[C@H]1CC=C(C)[C@@H](Cl)C1 Amb27433890 [0,0,0,0,0,0|1,0,1]=2 24 B11R1.21 C=C(C)[C@H]1CC=C(C)[C@@H](O)C1 Amb26987622 [0,0,0,0,0,0|0,0,2]=2 25 B11R1.21 C=C(C)[C@H]1CC=C(C)[C@H](O)C1 Amb28076908 [0,0,0,0,0,0|0,0,2]=2 26 B11R1.21 C=C(C)[C@H]1CCC(=C)[C@H](N)C1 Amb28368108 [0,0,0,0,0,0|1,0,3]=4 27 B11R1.21 C=C(C)[C@H]1CCC(=C)[C@H](O)C1 Amb27452430 [0,0,0,0,0,0|0,0,4]=4 28 B11R1.21 C=C(C)[C@H]1CCC(=O)[C@@H](C)C1 Amb27427769 [0,0,0,0,0,0|2,0,2]=4 29 B11R1.21 C=C(C)[C@H]1CCC(C)C(=O)C1 Amb27164605 [0,0,0,0,0,0|0,0,2]=2 30 B11R1.21 C=C(C)[C@H]1CCC(C)C(O)C1 Amb27853889 [0,0,0,0,0,0|0,0,4]=4 31 B11R1.21 C=C(C)[C@H]1CC[C@@H](C)[C@H](O)C1 Amb27198128 [0,0,0,0,0,0|0,0,4]=4 32 B11R1.21 C=C(C)[C@H]1CC[C@H](C)C(=O)C1 Amb6600487 [0,0,0,0,0,0|0,0,2]=2 33 B11R1.21 C=C(C)[C@H]1CC[C@H](C)[C@@H](O)C1 Amb22232072 [0,0,0,0,0,0|0,0,4]=4 34 B11R1.21 C=C(C)[C@H]1CC[C@H](C)[C@H](O)C1 Amb24674382 [0,0,0,0,0,0|0,0,4]=4 35 B11R1.21 C=C(C)c1ccc(C)c(C)n1 Amb32641672 [0,0,0,0,0,0|2,0,2]=4 36 B11R1.21 C=C(C)c1ccc(C)c(F)c1 Amb25201940 [0,0,0,0,0,0|1,0,3]=4 37 B11R1.21 C=C1CC(C(C)=O)CC=C1C Amb27972914 [0,0,0,0,0,0|2,0,0]=2 38 B11R1.21 C=C1CCC(C(=C)C)CC1O Amb27831439 [0,0,0,0,0,0|0,0,4]=4 39 B11R1.21 C=C1CCC(C(C)=O)CC1=C Amb24363799 [0,0,0,0,0,0|2,0,2]=4 40 B11R1.21 C=C1CCC(C(C)C)CC1=O Amb27212483 [0,0,0,0,0,0|0,0,4]=4 41 B11R1.21 C=C1CC[C@@H](C(=C)C)CC1O Amb17617403 [0,0,0,0,0,0|0,0,4]=4 42 B11R1.21 C=C1CC[C@@H](C(=C)C)C[C@H]1O Amb27653205 [0,0,0,0,0,0|0,0,4]=4 43 B11R1.21 C=C1CC[C@H](C(=C)C)CC1O Amb27823756 [0,0,0,0,0,0|0,0,4]=4 44 B11R1.21 C=C1C[C@H](C(=C)C)CC[C@@H]1O Amb27422398 [0,0,0,0,0,0|2,0,2]=4 45 B11R1.21 CC(=O)C1=CC=C(C)C(=O)O1 Amb24722786 [0,0,0,0,0,0|2,0,2]=4 46 B11R1.21 CC(=O)C1CC=C(C)C(O)C1 Amb27237661 [0,0,0,0,0,0|1,0,2]=3 47 B11R1.21 CC(=O)C1CCC(C)=C(C)C1 Amb25920982 [0,0,0,0,0,0|2,0,1]=3 48 B11R1.21 CC(=O)C1CNC(C)C(=O)N1 Amb27839760 [0,0,0,0,0,0|3,0,1]=4 49 B11R1.21 CC(=O)C1CN[C@@H](C)C(=O)N1 Amb18200213 [0,0,0,0,0,0|3,0,1]=4 50 B11R1.21 CC(=O)[C@@H]1CC=C(C)C(=O)C1 Amb27948572 [0,0,0,0,0,0|1,0,0]=1 51 B11R1.21 CC(=O)[C@H]1CC=C(C)C(=O)C1 Amb27228824 [0,0,0,0,0,0|1,0,0]=1 52 B11R1.21 CC(=O)[C@H]1CC=C(C)[C@@H](O)C1 Amb27433138 [0,0,0,0,0,0|1,0,2]=3 53 B11R1.21 CC(=O)[C@H]1CC=C(C)[C@H](O)C1 Amb27212798 [0,0,0,0,0,0|1,0,2]=3 54 B11R1.21 CC(=O)[C@H]1CC[C@H](C)C(=O)C1 Amb27447292 [0,0,0,0,0,0|1,0,2]=3 55 B11R1.21 CC(C)[C@@H]1C=C[C@@H](C)C(=O)C1 Amb26937814 [0,0,0,0,0,0|0,0,4]=4 56 B11R1.21 CC(C)[C@@H]1CC[C@H](C)C(=O)C1 Amb27428313 [0,0,0,0,0,0|0,0,4]=4 57 B11R1.21 CC(C)[C@H]1CC[C@@H](C)C(=O)C1 Amb28202189 [0,0,0,0,0,0|0,0,4]=4 58 B11R1.21 CC(C)[C@H]1CC[C@H](C)C(=O)C1 Amb25912985 [0,0,0,0,0,0|0,0,4]=4 59 B11R1.21 CC1=C(C)CC(C(=O)Cl)CC1 Amb27251519 [0,0,0,0,0,0|3,0,1]=4 60 B11R1.21 CC1=C(C)CC(C(=O)O)CC1 Amb7088978 [0,0,0,0,0,0|3,0,1]=4 61 B11R1.21 CC1=C(C)CC(C(N)=O)CC1 Amb27858869 [0,0,0,0,0,0|3,0,1]=4 62 B11R1.21 CC1=C(C)C[C@@H](C(=O)O)CC1 Amb24432806 [0,0,0,0,0,0|3,0,1]=4 63 B11R1.21 CC1=CCC(=C(C)C)CC1=O Amb24706787 [0,0,0,0,0,0|0,0,2]=2 64 B11R1.21 CC1=CCC(C(C)C)CC1=O Amb15693452 [0,0,0,0,0,0|0,0,2]=2 65 B11R1.21 CC1=CCC(C(C)C)CC1Br Amb27643590 [0,0,0,0,0,0|1,0,3]=4 66 B11R1.21 CC1=CCC(C(C)C)CC1N Amb27590310 [0,0,0,0,0,0|1,0,3]=4 67 B11R1.21 CC1=CCC(C(C)C)CC1O Amb4014484 [0,0,0,0,0,0|0,0,4]=4 68 B11R1.21 CC1=CCC(C(C)C)C[C@H]1Br Amb27166117 [0,0,0,0,0,0|1,0,3]=4 69 B11R1.21 CC1=CC[C@@H](C(C)C)CC1=O Amb28291424 [0,0,0,0,0,0|0,0,2]=2 70 B11R1.21 CC1=CC[C@@H](C(C)C)C[C@@H]1O Amb27207790 [0,0,0,0,0,0|0,0,4]=4 71 B11R1.21 CC1=CC[C@H](C(C)C)CC1O Amb27605456 [0,0,0,0,0,0|0,0,4]=4 72 B11R1.21 CC1=CC[C@H](C(C)C)C[C@H]1Cl Amb27983737 [0,0,0,0,0,0|1,0,3]=4 73 B11R1.21 CC1=COC(C(C)C)CC1=O Amb27859376 [0,0,0,0,0,0|1,0,2]=3 74 B11R1.21 CC1CCC(C(C)C)CC1=O Amb8392546 [0,0,0,0,0,0|0,0,4]=4 75 B11R1.21 CC1CC[C@@H](C(C)C)CC1=O Amb19888152 [0,0,0,0,0,0|0,0,4]=4 76 B11R1.21 CC1CC[C@H](C(C)C)CC1=O Amb24485806 [0,0,0,0,0,0|0,0,4]=4 77 B11R1.21 CN1CCC(C(=O)Cl)CC1=O Amb22893490 [0,0,0,0,0,0|3,0,1]=4 78 B11R1.21 CN1CCC(C(=O)O)CC1=O Amb6892357 [0,0,0,0,0,0|3,0,1]=4 79 B11R1.21 CN1CCC(C(N)=O)CC1=O Amb24533094 [0,0,0,0,0,0|3,0,1]=4 80 B11R1.21 O=C1CC(C(=O)O)CNC1=O Amb27427532 [0,0,0,0,0,0|4,0,0]=4 81 B10R1.13 C=C(C)C1C=CC(C)CC1 Amb27257923 [1,0,0,0,0,0|0,0,3]=4 82 B10R1.13 C=C(C)C1CC=C(C)CC1 Amb6891970 [1,0,0,0,0,0|0,0,1]=2 83 B10R1.13 C=C(C)[C@@H]1CC=C(C)CC1 Amb8514270 [1,0,0,0,0,0|0,0,1]=2 84 B10R1.13 C=C(C)[C@H]1C=C[C@H](C)CC1 Amb22232036 [1,0,0,0,0,0|0,0,3]=4 85 B10R1.13 C=C(C)[C@H]1CC=C(C)CC1 Amb533457 [1,0,0,0,0,0|0,0,1]=2 86 B10R1.13 C=C(C)c1ccc(C)cn1 Amb24084447 [1,0,0,0,0,0|1,0,2]=4 87 B10R1.13 C=C1CCC(C(=C)C)CC1 Amb10845321 [1,0,0,0,0,0|0,0,3]=4 88 B10R1.13 CC(=O)C1CC=C(Br)CC1 Amb25756617 [1,0,0,0,0,0|2,0,1]=4 89 B10R1.13 CC(=O)C1CC=C(C)CC1 Amb4025836 [1,0,0,0,0,0|1,0,1]=3 90 B10R1.13 CC1=CCC(=C(C)C)CC1 Amb18511847 [1,0,0,0,0,0|0,0,3]=4 91 B10R1.13 CC1=CCC(C(=O)O)CC1 Amb18124574 [1,0,0,0,0,0|2,0,1]=4 92 B10R1.13 CC1=CCC(C(=O)O)CN1 Amb2613014 [1,0,0,0,0,0|3,0,0]=4 93 B10R1.13 CC1=CCC(C(C)C)CC1 Amb22224798 [1,0,0,0,0,0|0,0,3]=4 94 B10R1.13 CC1=CCC(C(C)O)CC1 Amb27604267 [1,0,0,0,0,0|1,0,2]=4 95 B10R1.13 CC1=CC[C@H](C(C)C)CC1 Amb22369396 [1,0,0,0,0,0|0,0,3]=4 96 B10R1.113 C=C(C)C1CC=CC(=O)C1 Amb24378357 [1,0,0,0,0,0|0,0,0]=1 97 B10R1.113 C=C(C)C1CCCC(=O)C1 Amb17593503 [1,0,0,0,0,0|0,0,2]=3 98 B10R1.113 C=C(C)C1CCCC(=O)N1 Amb27427373 [1,0,0,0,0,0|1,0,2]=4 99 B10R1.113 C=C(C)C1CCOC(=O)N1 Amb27975698 [1,0,0,0,0,0|2,0,1]=4 100 B10R1.113 C=C(C)[C@H]1CCCC(=O)C1 Amb27262989 [1,0,0,0,0,0|0,0,2]=3 101 B10R1.113 CC(=O)C1C=CCC(=O)C1 Amb26476229 [1,0,0,0,0,0|1,0,2]=4 102 B10R1.113 CC(=O)C1CC=CC(C)C1 Amb27462843 [1,0,0,0,0,0|2,0,1]=4 103 B10R1.113 CC(=O)C1CC=CC(N)C1 Amb33132426 [1,0,0,0,0,0|2,0,1]=4 104 B10R1.113 CC(=O)C1CCNC(=O)C1 Amb24511548 [1,0,0,0,0,0|2,0,1]=4 105 B10R1.113 CC(=O)[C@@H]1CC=C[C@@H](C)C1 Amb26986966 [1,0,0,0,0,0|2,0,1]=4 106 B10R1.113 CC(=O)[C@@H]1CC=C[C@@H](N)C1 Amb33132431 [1,0,0,0,0,0|2,0,1]=4 107 B10R1.113 CC(=O)[C@@H]1CC=C[C@H](O)C1 Amb27637607 [1,0,0,0,0,0|1,0,2]=4 108 B10R1.113 CC(=O)[C@@H]1CCCC(=O)C1 Amb27974638 [1,0,0,0,0,0|1,0,2]=4 109 B10R1.113 CC(=O)[C@H]1CC=C[C@@H](C)C1 Amb28291493 [1,0,0,0,0,0|2,0,1]=4 110 B10R1.113 CC(C)C1CC(=O)C=CN1 Amb27460634 [1,0,0,0,0,0|1,0,2]=4 111 B10R1.113 CC(C)C1CC(=O)C=CO1 Amb28322954 [1,0,0,0,0,0|1,0,2]=4 112 B10R1.113 CC(C)C1CC=CC(=O)C1 Amb28201136 [1,0,0,0,0,0|0,0,2]=3 113 B10R1.113 CC(C)[C@@H]1CC(=O)C=CO1 Amb27802761 [1,0,0,0,0,0|1,0,2]=4 114 B10R1.113 CC(C)[C@H]1CC=CC(=O)C1 Amb28049897 [1,0,0,0,0,0|0,0,2]=3 115 B10R1.113 CC(O)C1CC(=O)C=CO1 Amb27802574 [1,0,0,0,0,0|2,0,1]=4 116 B10R1.113 C[C@H](O)[C@H]1CC(=O)C=CO1 Amb27427874 [1,0,0,0,0,0|2,0,1]=4 117 B10R1.113 O=C1C=CCC(C(=O)O)C1 Amb18643491 [1,0,0,0,0,0|2,0,0]=3 118 B10R1.113 O=C1C=CC[C@@H](C(=O)O)N1 Amb26347336 [1,0,0,0,0,0|3,0,0]=4 119 B10R1.176 C=CC1CCC(=O)C(=O)C1 Amb25146708 [1,0,0,0,0,0|1,0,1]=3 120 B10R1.176 C=CC1CCC(Cl)C(=O)C1 Amb27650634 [1,0,0,0,0,0|1,0,2]=4 121 B10R1.176 CC1=C(C)CC(C=O)CC1 Amb18124516 [1,0,0,0,0,0|2,0,1]=4 122 B10R1.176 CC1=CC[C@@H](C=O)C[C@@H]1C Amb27220294 [1,0,0,0,0,0|2,0,1]=4 123 B10R1.176 CCC1CC(=O)C(C)=CO1 Amb27262692 [1,0,0,0,0,0|1,0,1]=3 124 B10R1.176 CCC1CC=C(C)C(=O)C1 Amb27861254 [1,0,0,0,0,0|0,0,1]=2 125 B10R1.176 CCC1CCC(=O)C(=O)C1 Amb26873237 [1,0,0,0,0,0|1,0,2]=4 126 B10R1.176 CC[C@@H]1CC=C(C)C(=O)C1 Amb27802792 [1,0,0,0,0,0|0,0,1]=2 127 B10R1.176 CC[C@@H]1CC[C@@H](C)C(=O)C1 Amb28351646 [1,0,0,0,0,0|0,0,3]=4 128 B10R1.176 CNC1CCN(C)C(=O)C1 Amb25185404 [1,0,0,0,0,0|2,0,1]=4 129 B10R1.176 COC1CC=C(C)C(Br)C1 Amb28283827 [1,0,0,0,0,0|2,0,1]=4 130 B10R1.176 COC1CCC(=O)C(=O)C1 Amb27770459 [1,0,0,0,0,0|2,0,1]=4 131 B12R1.23 CC1=CCC(C(C)(C)C)CC1=O Amb27802921 [0,1,0,0,0,0|0,0,2]=3 132 B12R1.23 CC1=CCC(C(C)(C)O)CC1=O Amb25718379 [0,1,0,0,0,0|0,0,2]=3 133 B12R1.23 CC1=CCN(C(C)(C)C)CC1=O Amb4056523 [0,1,0,0,0,0|1,0,2]=4 134 B12R1.23 CC1=CC[C@@H](C(C)(C)O)CC1=O Amb27778048 [0,1,0,0,0,0|0,0,2]=3 135 B12R1.48 C=C(C)C1CCC(C=O)C(=O)C1 Amb28243870 [0,1,0,0,0,0|0,0,3]=4 136 B12R1.48 C=C(C)[C@@H]1CC=C(CO)[C@@H](O)C1 Amb27484801 [0,1,0,0,0,0|0,0,2]=3 137 B12R1.48 C=C(C)[C@@H]1CC=C(CO)[C@H](O)C1 Amb27207766 [0,1,0,0,0,0|0,0,2]=3 138 B12R1.48 C=C(C)[C@H]1CC=C(CO)[C@H](O)C1 Amb27662444 [0,1,0,0,0,0|0,0,2]=3 139 B12R1.48 CC(C)C1CC=C(C=O)C(=O)C1 Amb27250571 [0,1,0,0,0,0|0,0,3]=4 140 B12R1.56 C=C(C)C1CC=C(C)C(CO)C1 Amb28292616 [0,1,0,0,0,0|0,0,2]=3 141 B12R1.56 C=C(C)C1CC=C(C)C(NC)C1 Amb27639319 [0,1,0,0,0,0|1,0,1]=3 142 B12R1.56 C=C(C)C1CC=C(C)\C(=N\O)C1 Amb625847 [0,1,0,0,0,0|0,0,1]=2 143 B12R1.56 C=C(C)C1CCC(C)=C(C=O)C1 Amb18646125 [0,1,0,0,0,0|0,0,1]=2 144 B12R1.56 C=C(C)[C@@H]1CC=C(C)[C@H](CO)C1 Amb27484607 [0,1,0,0,0,0|0,0,2]=3 145 B12R1.56 C=C(C)[C@H]1CC=C(C)C(C=O)C1 Amb27616895 [0,1,0,0,0,0|0,0,1]=2 146 B12R1.56 C=C(C)[C@H]1CC=C(C)[C@H](CN)C1 Amb28051809 [0,1,0,0,0,0|1,0,1]=3 147 B12R1.56 C=C(C)[C@H]1CC=C(C)\C(=N/O)C1 Amb27801078 [0,1,0,0,0,0|0,0,1]=2 148 B12R1.56 C=C(C)[C@H]1CC=C(C)\C(=N\O)C1 Amb20670010 [0,1,0,0,0,0|0,0,1]=2 149 B12R1.232 C=C(C)C1CC(=O)C(C)=CC1O Amb27212490 [0,1,0,0,0,0|0,0,0]=1 150 B12R1.232 C=C(C)C1CC(=O)C(C)CC1O Amb24646678 [0,1,0,0,0,0|0,0,2]=3 151 B12R1.232 C=C(C)C1CC(O)C(C)=CC1=O Amb28321859 [0,1,0,0,0,0|0,0,3]=4 152 B12R1.232 C=C(C)C1NC(=O)C(C)CC1O Amb27879487 [0,1,0,0,0,0|1,0,2]=4 153 B12R1.232 C=C(C)[C@H]1CC(=O)C(C)=C[C@H]1O Amb28131977 [0,1,0,0,0,0|0,0,0]=1 154 B12R1.232 C=C(C)[C@H]1C[C@@H](O)C(C)=CC1=O Amb28144147 [0,1,0,0,0,0|0,0,3]=4 155 B12R1.232 C=C1C=C(C)C(=O)CC1C(C)C Amb28198619 [0,1,0,0,0,0|0,0,3]=4 156 B12R1.232 C=C1CC(C(C)=O)C(C)C=C1C Amb27433130 [0,1,0,0,0,0|2,0,0]=3 157 B12R1.232 CC(=O)C1CC(C)=C(C)CC1Cl Amb27407897 [0,1,0,0,0,0|2,0,1]=4 158 B12R1.232 CC1=CC(=O)[C@H](C(C)C)CC1=O Amb26874447 [0,1,0,0,0,0|0,0,3]=4 159 B12R1.232 CC1=C[C@@H](O)[C@H](C(C)C)CC1=O Amb28202355 [0,1,0,0,0,0|0,0,2]=3 160 B12R1.232 CC1=C[C@H](O)[C@H](C(C)C)CC1=O Amb25272969 [0,1,0,0,0,0|0,0,2]=3 161 B12R1.367 C=C(CCl)C1CC=C(C)C(=O)C1 Amb27791810 [0,1,0,0,0,0|0,0,0]=1 162 B12R1.367 C=C(CCl)[C@@H]1CC=C(C)C(=O)C1 Amb28436896 [0,1,0,0,0,0|0,0,0]=1 163 B12R1.367 C=C[C@@H](C)[C@H]1CCC(C)C(=O)C1 Amb28131980 [0,1,0,0,0,0|0,0,3]=4 164 B12R1.367 CC1=C(C)CC(C(=O)CCl)CC1 Amb25765656 [0,1,0,0,0,0|2,0,1]=4 165 B12R1.367 CC1=CCC(C(C)CO)OC1=O Amb27665387 [0,1,0,0,0,0|1,0,2]=4 166 B12R1.367 CC1=CC[C@@H](C(C)C=O)CC1=O Amb28388620 [0,1,0,0,0,0|0,0,1]=2 167 B12R1.367 CC1=CC\C(=C(\C)C=O)CC1=O Amb28248058 [0,1,0,0,0,0|0,0,1]=2 168 B12R1.367 CC1CCC(C(C)C=O)CC1=O Amb27827359 [0,1,0,0,0,0|0,0,3]=4 169 B12R1.367 CCC(=O)C1CCC(C)=C(C)C1 Amb28460742 [0,1,0,0,0,0|2,0,1]=4 170 B12R1.367 CCC(=O)C1CCN(C)C(=O)C1 Amb28053238 [0,1,0,0,0,0|2,0,1]=4 171 B12R1.367 COC(=O)C1CCC(C)=C(C)C1 Amb8392112 [0,1,0,0,0,0|2,0,1]=4 172 B12R1.367 COC(=O)C1CCN(C)C(=O)C1 Amb22405909 [0,1,0,0,0,0|2,0,1]=4 173 B12R1.367 COC(=O)[C@H]1CC=C(C)[C@@H](O)C1 Amb27197584 [0,1,0,0,0,0|1,0,2]=4 174 B12R1.367 C\C=C(/C)[C@@H]1CC=C(C)C(=O)C1 Amb33309486 [0,1,0,0,0,0|0,0,0]=1 175 B12R1.893 C=C(C)C1CC=C(C)C(=O)C1=C Amb27974657 [0,1,0,0,0,0|0,0,1]=2 176 B12R1.893 C=C(C)C1CC=C(C)C(=O)C1F Amb27948699 [0,1,0,0,0,0|0,0,0]=1 177 B12R1.893 C=C(C)[C@@H]1CC=C(C)C(=O)[C@@H]1O Amb27970162 [0,1,0,0,0,0|0,0,0]=1 178 B12R1.893 C=C(C)[C@@H]1CC=C(C)[C@@H](Cl)[C@@H]1O Amb28074062 [0,1,0,0,0,0|1,0,1]=3 179 B12R1.893 C=C(C)[C@@H]1CC=C(C)[C@H](O)[C@H]1C Amb27485821 [0,1,0,0,0,0|0,0,2]=3 180 B12R1.893 C=C(C)[C@H]1CC=C(C)C(=O)C1C Amb27948653 [0,1,0,0,0,0|0,0,0]=1 181 B12R1.893 C=C(C)[C@H]1CC=C(C)C(=O)[C@@H]1O Amb27844144 [0,1,0,0,0,0|0,0,0]=1 182 B12R1.893 CC1=CCC(C(C)C)C(O)C1=O Amb28070859 [0,1,0,0,0,0|0,0,2]=3 183 B12R1.893 CC1=CC[C@@H](C(C)C)[C@H](O)C1=O Amb27439846 [0,1,0,0,0,0|0,0,2]=3 184 B12R1.893 CC1=COC(C(C)C)C(C)C1=O Amb28397371 [0,1,0,0,0,0|1,0,2]=4 185 B12R1.893 CC1=CO[C@@H](C(C)C)[C@@H](C)C1=O Amb25110657 [0,1,0,0,0,0|1,0,2]=4 186 B12R1.893 CC1=CO[C@H](C(C)C)[C@H](C)C1=O Amb28052602 [0,1,0,0,0,0|1,0,2]=4 187 B12R1.1005 C=C(C)C1CC(=O)C(C)=C(O)C1 Amb27616865 [0,1,0,0,0,0|0,0,0]=1 188 B12R1.1005 C=C(C)C1CC(=O)C(C)C(O)C1 Amb28461148 [0,1,0,0,0,0|0,0,2]=3 189 B12R1.1005 C=C(C)C1CC(C)=C(C)C(O)C1 Amb28063960 [0,1,0,0,0,0|0,0,2]=3 190 B12R1.1005 C=C(C)[C@@H]1CC(=O)C(C)=C(C)C1 Amb26062143 [0,1,0,0,0,0|0,0,0]=1 191 B12R1.1005 C=C(C)[C@@H]1CC(=O)C(C)[C@@H](C)C1 Amb27440407 [0,1,0,0,0,0|0,0,2]=3 192 B12R1.1005 C=C(C)[C@H]1CC(=O)C(C)=C(O)C1 Amb24309567 [0,1,0,0,0,0|0,0,0]=1 193 B12R1.1005 C=C(C)[C@H]1CC(=O)C(C)C(C)C1 Amb28253647 [0,1,0,0,0,0|0,0,2]=3 194 B12R1.1005 C=C(C)[C@H]1CC(=O)C(C)[C@H](C)C1 Amb27818167 [0,1,0,0,0,0|0,0,2]=3 195 B12R1.1005 C=C(C)[C@H]1CC(=O)[C@H](C)[C@H](O)C1 Amb25976157 [0,1,0,0,0,0|0,0,2]=3 196 B12R1.1005 CC(=O)C1CC(C)=C(C)C(=O)O1 Amb27854297 [0,1,0,0,0,0|2,0,0]=3 197 B12R1.1005 CC1=C(C)C(=O)C[C@H](C(C)C)C1 Amb25299315 [0,1,0,0,0,0|0,0,2]=3 198 B12R1.1274 C=C(C)C1CCC(C)(F)C(=O)C1 Amb27177516 [0,1,0,0,0,0|0,0,2]=3 199 B12R1.1645 C=C(C)C1(O)CC=C(C)C(O)C1 Amb27416873 [0,1,0,0,0,0|0,0,2]=3 200 B12R1.1645 C=C(C)C1(O)CCC(C)C(=O)C1 Amb28321919 [0,1,0,0,0,0|0,0,2]=3 201 B12R1.1645 C=C(C)[C@@]1(O)CC=C(C)[C@H](O)C1 Amb27423166 [0,1,0,0,0,0|0,0,2]=3 202 B12R1.1645 CC(=O)C1(O)CCC(C)=C(C)C1 Amb27590368 [0,1,0,0,0,0|2,0,1]=4 203 B12R1.1645 CC1=CC[C@@](O)(C(C)C)CC1=O Amb28076083 [0,1,0,0,0,0|0,0,2]=3 204 B10R0.53 C=C(C)C(CN)CC(=O)OC Amb33199521 [0,0,1,0,0,0|2,0,0]=3 205 B10R0.53 C\C=C(/C)CC(CO)C(C)=O Amb28080254 [0,0,1,0,0,0|3,0,0]=4 206 B10R0.53 C\C=C(\C)CC(CO)C(C)=O Amb27673559 [0,0,1,0,0,0|3,0,0]=4 207 B10R0.57 C=C(Br)CNC(=O)\C(C)=C/C Amb27977583 [0,0,1,0,0,0|2,0,0]=3 208 B10R0.57 C=C(C)CNC(=O)C(=O)NC Amb28197153 [0,0,1,0,0,0|3,0,0]=4 209 B10R0.57 C=C(C)CNC(=O)C(C)SC Amb27988916 [0,0,1,0,0,0|2,0,1]=4 210 B10R0.57 C=C(Cl)CNC(=O)\C(C)=C/C Amb27839999 [0,0,1,0,0,0|2,0,0]=3 211 B10R0.57 CC\C(C)=C(/C)CCC(C)=O Amb27673564 [0,0,1,0,0,0|2,0,1]=4 212 B10R0.57 CON(C)C(=O)CCC(C)=O Amb23597331 [0,0,1,0,0,0|3,0,0]=4 213 B10R0.57 C\C=C(/C)C(=O)CCN(C)C Amb27672268 [0,0,1,0,0,0|1,0,1]=3 214 B10R0.57 C\C=C(/C)C(=O)NCC(=O)O Amb17620667 [0,0,1,0,0,0|3,0,0]=4 215 B10R0.57 C\C=C(/C)C(=O)OCC(C)C Amb24764651 [0,0,1,0,0,0|1,0,2]=4 216 B10R0.57 C\C=C(\C)C(=O)CCN(C)C Amb27673759 [0,0,1,0,0,0|1,0,1]=3 217 B10R0.57 C\C=C(\C)C(=O)NCC(=O)O Amb27840055 [0,0,1,0,0,0|3,0,0]=4 218 B10R0.57 C\C=C(\C)C(=O)NCC(C)C Amb27607780 [0,0,1,0,0,0|1,0,2]=4 219 B10R0.57 C\C=C(\C)C(=O)OCC(C)C Amb22351313 [0,0,1,0,0,0|1,0,2]=4 220 B10R0.82 C=C(C)C(Cl)\C=C\C(C)=C/C Amb27965024 [0,0,1,0,0,0|2,0,1]=4 221 B10R0.82 C=C\C(C)=C\CC(Cl)C(=C)C Amb27990029 [0,0,1,0,0,0|2,0,0]=3 222 B10R0.82 C=C\C(C)=C\CC(O)C(=C)C Amb26083600 [0,0,1,0,0,0|2,0,0]=3 223 B10R0.82 CC(=O)[C@H](O)C\C=C(\C)C=O Amb27989749 [0,0,1,0,0,0|2,0,0]=3 224 B10R0.82 CC\C(C)=C\CC(C)C(C)=O Amb27673783 [0,0,1,0,0,0|2,0,1]=4 225 B10R0.88 C\C=C\CC(NC=O)C(=O)O Amb33036726 [0,0,1,0,0,0|3,0,0]=4 226 B10R0.93 C=C(C)C(=O)CC(N)C(C)C Amb27672766 [0,0,1,0,0,0|1,0,2]=4 227 B10R0.93 C=C(C)C(=O)CC(O)C(=C)C Amb27672275 [0,0,1,0,0,0|1,0,0]=2 228 B10R0.93 C=C(C)C(=O)NC(=O)C(=C)C Amb24418491 [0,0,1,0,0,0|2,0,1]=4 229 B10R0.93 C=C(C)C(=O)NC(C)C(=O)O Amb17142883 [0,0,1,0,0,0|3,0,0]=4 230 B10R0.93 C=C(C)C(=O)NC(C)C(C)=O Amb17593881 [0,0,1,0,0,0|2,0,0]=3 231 B10R0.93 C=C(C)C(=O)N[C@@H](C)C(=O)O Amb27856790 [0,0,1,0,0,0|3,0,0]=4 232 B10R0.93 C=C(C)C(=O)OC(=O)C(=C)C Amb6891941 [0,0,1,0,0,0|2,0,1]=4 233 B10R0.93 C=C(C)C(=O)OC(C)C(C)=O Amb27673769 [0,0,1,0,0,0|2,0,0]=3 234 B10R0.93 C=C(C)C(=O)OC(C)C(C)C Amb17934095 [0,0,1,0,0,0|1,0,2]=4 235 B10R0.93 C=C(C)C(C)OC(=O)C(C)C Amb27270498 [0,0,1,0,0,0|1,0,2]=4 236 B10R0.93 C=C(C)C(O)CC(O)C(=C)C Amb27672811 [0,0,1,0,0,0|1,0,2]=4 237 B10R0.93 C=C(C)[C@@H](O)CC(=O)C(C)C Amb28080148 [0,0,1,0,0,0|1,0,2]=4 238 B10R0.93 C=C(C)[C@H](O)CC(=O)C(C)C Amb28080149 [0,0,1,0,0,0|1,0,2]=4 239 B10R0.93 CC(=O)C(=O)NC(C)C(C)=O Amb27815210 [0,0,1,0,0,0|3,0,0]=4 240 B10R0.93 CC(=O)C(C)CC(=O)N(C)C Amb27672539 [0,0,1,0,0,0|2,0,1]=4 241 B10R0.98 C=C(C)\C(Cl)=C\CCC(C)=O Amb27672624 [0,0,1,0,0,0|3,0,0]=4 242 B10R0.98 CC(=O)CC\C=C(/C)C(C)C Amb27672587 [0,0,1,0,0,0|2,0,1]=4 243 B10R0.98 CC(=O)NC\C=C(\C)C(=O)O Amb35584803 [0,0,1,0,0,0|3,0,0]=4 244 B10R0.98 CC(=O)OC\C=C(\C)C(C)=O Amb24765386 [0,0,1,0,0,0|2,0,0]=3 245 B10R0.98 CC(=O)\C(C)=C/CCC(C)C Amb27673583 [0,0,1,0,0,0|0,0,2]=3 246 B10R0.98 CC(=O)\C(C)=C\NCC(C)C Amb27954098 [0,0,1,0,0,0|1,0,2]=4 247 B10R0.98 CC(=O)\C(Cl)=C\CCC(C)C Amb27673731 [0,0,1,0,0,0|1,0,2]=4 248 B12R2.130 CC1=CCC2CC1CCC2=O Amb27599423 [0,0,0,1,0,0|2,0,1]=4 249 B12R2.788 C=C(C)[C@@H]1CC(=O)[C@@]2(C)C[C@@H]12 Amb27861443 [0,0,0,1,0,0|0,0,2]=3 250 B12R2.788 C=C(C)[C@@H]1CC(=O)[C@]2(C)C[C@H]12 Amb27861487 [0,0,0,1,0,0|0,0,2]=3 251 B12R2.1017 CC(=O)C1CC2CC1C=C2C Amb25909762 [0,0,0,1,0,0|2,0,1]=4 252 B12R2.1017 CC(=O)[C@@H]1C[C@H]2C[C@@H]1C=C2C Amb28052472 [0,0,0,1,0,0|2,0,1]=4 253 B12R2.1046 C=C(C)C12CC(=O)C(C)C1C2 Amb27408540 [0,0,0,1,0,0|0,0,2]=3 254 B12R2.1046 C=C(C)[C@@]12CC(=O)[C@H](C)[C@H]1C2 Amb27970135 [0,0,0,1,0,0|0,0,2]=3 255 B12R2.1046 C=C(C)[C@]12CC(=O)[C@@H](C)[C@H]1C2 Amb26598475 [0,0,0,1,0,0|0,0,2]=3 256 B12R2.1046 C=C(C)[C@]12CC(=O)[C@H](C)[C@@H]1C2 Amb27261960 [0,0,0,1,0,0|0,0,2]=3 257 B12R2.1046 C=C(C)[C@]12CC(=O)[C@H](C)[C@H]1C2 Amb27212499 [0,0,0,1,0,0|0,0,2]=3 258 B12R2.1046 CC(=O)[C@]12CC(=O)C(C)C1C2 Amb27972915 [0,0,0,1,0,0|1,0,2]=4 259 B12R2.1136 C[C@@H]1C(=O)C[C@H]2C[C@@H]1CC2=O Amb28057543 [0,0,0,1,0,0|1,0,2]=4 260 B12R2.2426 C=C1C[C@]2(C)C=C[C@H]1CC2=O Amb28200013 [0,0,0,1,0,0|0,0,2]=3 261 B12R2.2426 CC12CCC(CC1=O)C(=O)C2 Amb28285821 [0,0,0,1,0,0|1,0,2]=4 262 B12R2.2426 CC1=C[C@]2(C)CC[C@H]1CC2=O Amb27198924 [0,0,0,1,0,0|0,0,2]=3 263 B12R2.2824 CC(=O)C12CCC(C1)C(=O)C2 Amb27974450 [0,0,0,1,0,0|1,0,2]=4 264 B12R2.3906 CC1=C[C@H]2[C@@H](CC1=O)C2(C)C Amb27785463 [0,0,0,1,0,0|0,0,2]=3 265 B10R1.58 C=C(C)C1CC(C)C(O)C1 Amb27191936 [0,0,0,0,1,0|0,0,3]=4 266 B10R1.58 C=C(C)C1C[C@@H](C)[C@H](O)C1 Amb27790334 [0,0,0,0,1,0|0,0,3]=4 267 B10R1.58 C=C(C)C1C[C@H](O)[C@H](C)C1 Amb27199266 [0,0,0,0,1,0|0,0,3]=4 268 B10R1.58 C=C(I)C1CN(C)C(=O)O1 Amb8389806 [0,0,0,0,1,0|3,0,0]=4 269 B10R1.58 C=C1CC(C(=O)O)CC1=O Amb28368152 [0,0,0,0,1,0|2,0,1]=4 270 B10R1.58 CC(=O)C1CC(=O)C(C)C1 Amb26936800 [0,0,0,0,1,0|1,0,1]=3 271 B10R1.58 CC(=O)C1CC(=O)N(C)C1 Amb28286921 [0,0,0,0,1,0|2,0,0]=3 272 B10R1.58 CC(=O)N1CC(=O)C(=O)C1 Amb18202767 [0,0,0,0,1,0|3,0,0]=4 273 B10R1.58 CC(=O)N1CC(=O)N(C)C1 Amb27458644 [0,0,0,0,1,0|3,0,0]=4 274 B10R1.58 CC1=CC(C(C)Br)OC1=O Amb27602236 [0,0,0,0,1,0|2,0,1]=4 275 B10R1.58 CC1=CN(N(C)C)CC1=O Amb27228944 [0,0,0,0,1,0|2,0,1]=4 276 B10R1.58 CC1=C[C@@H](C(C)C)CC1=O Amb28125705 [0,0,0,0,1,0|0,0,2]=3 277 B10R1.58 CC1CC(C(=O)O)CC1=O Amb27413499 [0,0,0,0,1,0|2,0,1]=4 278 B10R1.58 CC1CC(C(C)C)CC1=O Amb27861161 [0,0,0,0,1,0|0,0,3]=4 279 B10R1.58 CN1CC(C(=N)N)CC1=O Amb22497026 [0,0,0,0,1,0|3,0,0]=4 280 B10R1.58 CN1CC(C(=N)N)CC1=O Amb22523369 [0,0,0,0,1,0|3,0,0]=4 281 B10R1.58 CN1CC(C(=O)Cl)CC1=O Amb19650939 [0,0,0,0,1,0|3,0,0]=4 282 B10R1.58 CN1CC(C(=O)O)CC1=O Amb6315829 [0,0,0,0,1,0|3,0,0]=4 283 B10R1.58 CN1CC(C(N)=O)CC1=O Amb2236385 [0,0,0,0,1,0|3,0,0]=4 284 B10R1.58 CN1C[C@H](C(=O)O)CC1=O Amb28326218 [0,0,0,0,1,0|3,0,0]=4 285 B10R1.58 O=C1CC(C(=O)O)CC1=O Amb27948058 [0,0,0,0,1,0|3,0,0]=4 286 B10R1.194 C=C(C)[C@@H]1CC[C@H](C)C1=O Amb27854628 [0,0,0,0,1,0|0,0,2]=3 287 B10R1.194 C=C(C)n1ccc(C)c1C Amb28076109 [0,0,0,0,1,0|2,0,1]=4 288 B10R1.194 CC(=O)C1C=CC(C)C1=O Amb27260448 [0,0,0,0,1,0|1,0,2]=4 289 B10R1.194 CC(=O)C1CCC(C)=C1C Amb27476269 [0,0,0,0,1,0|2,0,1]=4 290 B12R1.19 CC(=O)OC1CC=C(C)C(O)C1 Amb28344910 [0,0,0,0,0,1|1,0,2]=4 291 B12R1.19 CC(=O)O[C@H]1CC=C(C)[C@H](O)C1 Amb27443196 [0,0,0,0,0,1|1,0,2]=4 292 B12R1.1021 CC(=O)C1C=CC=C(C)C(=O)O1 Amb26935615 [0,0,0,0,0,1|2,0,1]=4 293 B12R1.1218 C=C(C)[C@@H]1CCC(C)=CC(=O)C1 Amb28202247 [0,0,0,0,0,1|0,0,1]=2 294 B12R1.1218 CC1=CCC(C(C)C)OC(=O)C1 Amb28056848 [0,0,0,0,0,1|1,0,2]=4 295 B9R0.13 C\C=C\CC(CC)C(C)=O Amb27465073 [1,0,1,0,0,0|1,0,1]=4 296 B9R0.26 C=CC(CO)CC(=O)OC Amb28050688 [1,0,1,0,0,0|2,0,0]=4 297 B9R0.39 C=C(C)C(CC)CC(=O)O Amb27655611 [1,0,1,0,0,0|1,0,1]=4 298 B9R0.39 C=C(C)C(CN)CC(=O)O Amb33199956 [1,0,1,0,0,0|2,0,0]=4 299 B9R0.39 CCC(CC(C)=O)C(C)=O Amb27403023 [1,0,1,0,0,0|1,0,1]=4 300 B9R0.42 C=C(C)C(=O)CC(C)OC Amb17593596 [1,0,1,0,0,0|1,0,0]=3 301 B9R0.42 C=C(C)C(=O)OC(C)C=O Amb27762498 [1,0,1,0,0,0|2,0,0]=4 302 B9R0.42 C=C(C)C(=O)OC(C)CC Amb22231432 [1,0,1,0,0,0|1,0,1]=4 303 B9R0.42 C=C(C)C(C)OC(=O)CC Amb27651536 [1,0,1,0,0,0|1,0,1]=4 304 B9R0.42 C=C(C)C(O)CC(=O)OC Amb27839501 [1,0,1,0,0,0|2,0,0]=4 305 B9R0.42 C=C(C)[C@@H](O)CC(=O)CC Amb28126621 [1,0,1,0,0,0|1,0,1]=4 306 B9R0.42 C=C(C)[C@@H](O)CC(=O)OC Amb33199529 [1,0,1,0,0,0|2,0,0]=4 307 B9R0.42 C=C(C)[C@H](O)CC(=O)CC Amb27760878 [1,0,1,0,0,0|1,0,1]=4 308 B9R0.42 C=C(C)[C@H](O)CC(=O)OC Amb33199525 [1,0,1,0,0,0|2,0,0]=4 309 B9R0.42 C=CC(=O)OC(C)C(C)=O Amb28126623 [1,0,1,0,0,0|2,0,0]=4 310 B9R0.42 C=CC(C)CC(=O)C(C)C Amb27228176 [1,0,1,0,0,0|0,0,2]=4 311 B9R0.42 C=CC(C)OC(=O)C(C)=O Amb27262902 [1,0,1,0,0,0|2,0,0]=4 312 B9R0.42 COC(=O)C[C@@H](C)C(C)=O Amb26846867 [1,0,1,0,0,0|2,0,0]=4 313 B9R0.42 COC(=O)C[C@H](C)C(C)=O Amb26873807 [1,0,1,0,0,0|2,0,0]=4 314 B9R0.1 C=C(C)C#C\C=C(\C)C=O Amb28052621 [1,0,1,0,0,0|0,0,2]=4 315 B9R0.1 C=C(C)CCC[C@H](C)C=O Amb27230540 [1,0,1,0,0,0|0,0,2]=4 316 B9R0.1 C=C(C)CC\C=C(/C)C=O Amb27872349 [1,0,1,0,0,0|0,0,0]=2 317 B9R0.1 C=C(C)CC\C=C(\C)C=O Amb28062454 [1,0,1,0,0,0|0,0,0]=2 318 B9R0.1 C=C(C)CC\C=C(\C)CBr Amb27481630 [1,0,1,0,0,0|1,0,1]=4 319 B9R0.1 C=C(C)CC\C=C(\C)CCl Amb27252323 [1,0,1,0,0,0|1,0,1]=4 320 B9R0.1 C=C(C)CO\C=C(\C)C=O Amb28130410 [1,0,1,0,0,0|1,0,0]=3 321 B9R0.1 C=C\C(C)=C/CCC(=C)C Amb28059806 [1,0,1,0,0,0|0,0,1]=3 322 B9R0.1 C=C\C(C)=C\CCC(=C)C Amb27248496 [1,0,1,0,0,0|0,0,1]=3 323 B9R0.1 CC(=O)CC\C=C(/C)C=O Amb18124577 [1,0,1,0,0,0|1,0,0]=3 324 B9R0.1 CC(=O)CC\C=C(\C)C=O Amb27195922 [1,0,1,0,0,0|1,0,0]=3 325 B9R0.1 CC(=O)OC\C=C(/C)C=O Amb17593584 [1,0,1,0,0,0|2,0,0]=4 326 B9R0.1 CC(=O)SC\C=C(\C)C=O Amb28411202 [1,0,1,0,0,0|2,0,0]=4 327 B9R0.1 CC\C(C)=C\CCC(C)=O Amb2721172 [1,0,1,0,0,0|1,0,1]=4 328 B9R0.1 C\C(C=O)=C/CCC(C)O Amb27598642 [1,0,1,0,0,0|1,0,1]=4 329 B9R0.1 C\C(C=O)=C\CCC(C)O Amb27841297 [1,0,1,0,0,0|1,0,1]=4 330 B9R0.7 C=C(C)C(=O)CCC(C)=O Amb28202297 [1,0,1,0,0,0|1,0,0]=3 331 B9R0.7 C=C(C)C(=O)CCC(C)N Amb27765418 [1,0,1,0,0,0|1,0,1]=4 332 B9R0.7 C=C(C)C(=O)CCN(C)C Amb27236591 [1,0,1,0,0,0|1,0,1]=4 333 B9R0.7 C=C(C)C(=O)OCC(C)=O Amb17593585 [1,0,1,0,0,0|2,0,0]=4 334 B9R0.7 C=C(C)C(C)CCC(=O)O Amb27254117 [1,0,1,0,0,0|1,0,1]=4 335 B9R0.7 C=C(C)C(C)\C=C\C(C)=O Amb26010606 [1,0,1,0,0,0|0,0,1]=3 336 B9R0.7 C=C(C)C(Cl)CC=C(C)C Amb27875414 [1,0,1,0,0,0|1,0,1]=4 337 B9R0.7 C=C(C)C(Cl)COC(C)=O Amb28137880 [1,0,1,0,0,0|2,0,0]=4 338 B9R0.7 C=C(C)C(O)COC(C)=O Amb27170291 [1,0,1,0,0,0|2,0,0]=4 339 B9R0.7 C=C(C)CCC(=O)C(C)C Amb9031731 [1,0,1,0,0,0|0,0,1]=3 340 B9R0.7 C=C(C)CCC(=O)C(C)N Amb28046434 [1,0,1,0,0,0|1,0,1]=4 341 B9R0.7 C=C(C)CCC(C)C(C)=O Amb27753284 [1,0,1,0,0,0|1,0,1]=4 342 B9R0.7 C=C(C)CNC(=O)C(=C)Cl Amb27222892 [1,0,1,0,0,0|2,0,0]=4 343 B9R0.7 C=C(C)CNC(=O)C(C)C Amb27793754 [1,0,1,0,0,0|1,0,1]=4 344 B9R0.7 C=C(C)COC(=O)C(=C)C Amb17934091 [1,0,1,0,0,0|1,0,0]=3 345 B9R0.7 C=C(C)COC(=O)C(C)C Amb28454043 [1,0,1,0,0,0|1,0,1]=4 346 B9R0.7 C=C(C)[C@@H](C)CCC(C)=O Amb24583145 [1,0,1,0,0,0|0,0,1]=3 347 B9R0.7 CC(=O)CCC(=O)C(C)=O Amb25852390 [1,0,1,0,0,0|2,0,0]=4 348 B9R0.7 CC(=O)CCC(=O)C(C)C Amb19515553 [1,0,1,0,0,0|1,0,1]=4 349 B9R0.7 CC(=O)CCC(=O)N(C)C Amb17334213 [1,0,1,0,0,0|2,0,0]=4 350 B9R0.7 CC(=O)CCC(C)=C(C)C Amb27799949 [1,0,1,0,0,0|2,0,0]=4 351 B9R0.7 CC(=O)OCC(C)C(C)=O Amb27471984 [1,0,1,0,0,0|2,0,0]=4 352 B9R0.7 CC(=O)OC[C@H](C)C(C)=O Amb28049898 [1,0,1,0,0,0|2,0,0]=4 353 B9R0.8 C=CCCC(=O)N(C)CC Amb27790145 [1,0,1,0,0,0|1,0,1]=4 354 B9R0.8 C=CCCC(=O)N(C)OC Amb23597233 [1,0,1,0,0,0|2,0,0]=4 355 B9R0.8 C=CCOC(=O)\C(C)=C/C Amb27809452 [1,0,1,0,0,0|1,0,0]=3 356 B9R0.8 C=CCOC(=O)\C(C)=C\C Amb16192930 [1,0,1,0,0,0|1,0,0]=3 357 B9R0.8 C\C=C(/C)C(=O)CCCC Amb27614929 [1,0,1,0,0,0|0,0,1]=3 358 B9R0.8 C\C=C(/C)C(=O)CCOC Amb27434156 [1,0,1,0,0,0|1,0,0]=3 359 B9R0.8 C\C=C(/C)C(=O)CCSC Amb28457470 [1,0,1,0,0,0|1,0,0]=3 360 B9R0.8 C\C=C(/C)C(=O)OCCC Amb6297268 [1,0,1,0,0,0|1,0,1]=4 361 B9R0.48 C=C(Br)CNC(=O)\C=C\C Amb27240096 [1,0,1,0,0,0|2,0,0]=4 362 B9R0.48 C=C(C)CCC(=O)OCC Amb22270105 [1,0,1,0,0,0|1,0,1]=4 363 B9R0.48 C=C(C)CCC(=O)\C=C\C Amb27839606 [1,0,1,0,0,0|0,0,0]=2 364 B9R0.48 C=C(C)CC\C(C)=C\C=O Amb18643300 [1,0,1,0,0,0|2,0,0]=4 365 B9R0.48 C=C(C)COC(=O)\C=C\C Amb25769210 [1,0,1,0,0,0|1,0,0]=3 366 B9R0.48 C=C(Cl)COC(=O)\C=C\C Amb27762765 [1,0,1,0,0,0|2,0,0]=4 367 B9R0.48 C\C=C\C(=O)CC=C(C)C Amb25878661 [1,0,1,0,0,0|0,0,2]=4 368 B9R0.48 C\C=C\C(=O)OCC(C)=O Amb26627032 [1,0,1,0,0,0|2,0,0]=4 369 B9R0.24 CCC(C)C\C=C(\C)C=O Amb27493317 [1,0,1,0,0,0|0,0,1]=3 370 B9R0.47 C#CCC\C=C(/C)C(C)=O Amb27600065 [1,0,1,0,0,0|0,0,2]=4 371 B9R0.47 C=C(C)\C(C)=C/CCNC Amb27639867 [1,0,1,0,0,0|2,0,0]=4 372 B9R0.47 C=CCCCC(C)C(C)=O Amb27839019 [1,0,1,0,0,0|0,0,2]=4 373 B9R0.47 C=CCCCN(C)C(C)=O Amb24627578 [1,0,1,0,0,0|1,0,1]=4 374 B9R0.47 C=CCCOC(C)C(C)=O Amb27979070 [1,0,1,0,0,0|1,0,1]=4 375 B9R0.47 CCCC\C=C(/Cl)C(C)=O Amb27822638 [1,0,1,0,0,0|1,0,1]=4 376 B9R0.47 CCCC\C=C(\C)C(=O)O Amb27637394 [1,0,1,0,0,0|1,0,1]=4 377 B9R0.47 CCCN\C=C(\C)C(C)=O Amb25244710 [1,0,1,0,0,0|1,0,1]=4 378 B9R0.47 COCO\C=C(/C)C(C)=O Amb27803766 [1,0,1,0,0,0|2,0,0]=4 379 B9R0.47 COCO\C=C(\C)C(C)=O Amb27792120 [1,0,1,0,0,0|2,0,0]=4 380 B9R0.47 CSCC\C=C(\C)C(=O)O Amb27449576 [1,0,1,0,0,0|2,0,0]=4 381 B9R0.55 C=C(C)CCOCC(C)=O Amb28318908 [1,0,1,0,0,0|1,0,1]=4 382 B9R0.55 C=C(C)CCONC(C)=O Amb28072263 [1,0,1,0,0,0|2,0,0]=4 383 B9R0.55 C=C(C)CCSCC(C)=O Amb27469207 [1,0,1,0,0,0|1,0,1]=4 384 B9R0.55 C=C(C)CC\C=C\C(=O)O Amb27253611 [1,0,1,0,0,0|1,0,0]=3 385 B9R0.55 C=C(C)CO\C=C\C(=O)O Amb18643826 [1,0,1,0,0,0|2,0,0]=4 386 B9R0.55 C=C(C)\C=C\CCC(C)=O Amb26484309 [1,0,1,0,0,0|2,0,0]=4 387 B9R0.55 CC(=O)CC\C=C\C(=O)O Amb17593589 [1,0,1,0,0,0|2,0,0]=4 388 B9R0.55 CC(=O)\C=C\CCC(C)C Amb25111718 [1,0,1,0,0,0|0,0,2]=4 389 B9R0.55 CC(=O)\C=C\CCN(C)C Amb33271941 [1,0,1,0,0,0|1,0,1]=4 390 B9R1.1 CC1=CCC(C=O)CC1 Amb614508 [2,0,0,0,0,0|1,0,1]=4 391 B9R1.1 CN[C@@H]1CC=C(C)CC1 Amb28049919 [2,0,0,0,0,0|1,0,1]=4 392 B9R1.1 COC1CC=C(C)CC1 Amb25279365 [2,0,0,0,0,0|1,0,1]=4 393 B9R1.6 CC(=O)C1CC=CCC1 Amb27643727 [2,0,0,0,0,0|1,0,1]=4 394 B9R1.6 CC(=O)[C@@H]1CC=CCC1 Amb26643097 [2,0,0,0,0,0|1,0,1]=4 395 B9R1.2 C=CC1CC(=O)C=CO1 Amb22748833 [2,0,0,0,0,0|1,0,0]=3 396 B9R1.2 C=CC1CC=CC(O)C1 Amb27956505 [2,0,0,0,0,0|0,0,2]=4 397 B9R1.2 C=CC1CCCC(=O)C1 Amb28250679 [2,0,0,0,0,0|0,0,2]=4 398 B9R1.2 C=C[C@@H]1CC=C[C@@H](O)C1 Amb27981632 [2,0,0,0,0,0|0,0,2]=4 399 B9R1.2 CCC1CC(=O)C=CN1 Amb28285113 [2,0,0,0,0,0|1,0,1]=4 400 B9R1.2 CCC1CC(=O)C=CO1 Amb28076224 [2,0,0,0,0,0|1,0,1]=4 401 B9R1.2 CCC1CC=CC(=O)O1 Amb27480728 [2,0,0,0,0,0|1,0,1]=4 402 B9R1.2 CC[C@@H]1CC=CC(=O)C1 Amb27828949 [2,0,0,0,0,0|0,0,1]=3 403 B9R1.2 CC[C@H]1CC=CC(=O)C1 Amb28461147 [2,0,0,0,0,0|0,0,1]=3 404 B9R1.2 O=CC1CC=CC(=O)C1 Amb27849044 [2,0,0,0,0,0|1,0,0]=3 405 B9R1.2 O=CC1CC=CC(=O)O1 Amb18642367 [2,0,0,0,0,0|2,0,0]=4 406 B9R1.69 CC1=C(C)CC(C)CC1 Amb26603643 [2,0,0,0,0,0|1,0,1]=4 407 B9R1.69 CC1=CCC(C)CC1O Amb27842013 [2,0,0,0,0,0|0,0,2]=4 408 B9R1.69 CC1=CC[C@@H](C)C[C@H]1O Amb28401379 [2,0,0,0,0,0|0,0,2]=4 409 B9R1.69 CC1CC(=O)C(O)=CO1 Amb28351460 [2,0,0,0,0,0|2,0,0]=4 410 B9R1.69 CC1CC=C(Br)C(=O)N1 Amb27494118 [2,0,0,0,0,0|2,0,0]=4 411 B9R1.69 CC1CC=C(Cl)C(=O)C1 Amb27199164 [2,0,0,0,0,0|1,0,0]=3 412 B9R1.69 CC1CCC(C)C(=O)C1 Amb22228357 [2,0,0,0,0,0|0,0,2]=4 413 B9R1.69 C[C@@H]1CC(=O)C(O)=CO1 Amb28350976 [2,0,0,0,0,0|2,0,0]=4 414 B11R0.173 C=C(C)CNC(=O)C(C)=C(C)C Amb27593793 [0,1,1,0,0,0|1,0,0]=3 415 B11R0.173 C=C(C)CNC(=O)C(F)=C(C)C Amb27835716 [0,1,1,0,0,0|2,0,0]=4 416 B11R0.146 C=C(C)C(CC=O)CCC(C)=O Amb19516019 [0,1,1,0,0,0|0,0,1]=3 417 B11R1.3 C=C(C)C1CC=C(C=O)CC1 Amb2698249 [1,1,0,0,0,0|0,0,2]=4 418 B11R1.3 C=C(C)C1CC=C(CO)CC1 Amb9825863 [1,1,0,0,0,0|0,0,1]=3 419 B11R1.3 C=C(C)[C@@H]1CC=C(C=O)CC1 Amb533148 [1,1,0,0,0,0|0,0,2]=4 420 B11R1.3 C=C(C)[C@@H]1CC=C(CO)CC1 Amb6296716 [1,1,0,0,0,0|0,0,1]=3 421 B11R1.3 C=C(C)[C@H]1CC=C(C=O)CC1 Amb17619206 [1,1,0,0,0,0|0,0,2]=4 422 B11R1.3 C=C(C)[C@H]1CC=C(CBr)CC1 Amb27620277 [1,1,0,0,0,0|0,0,1]=3 423 B11R1.3 C=C(C)[C@H]1CC=C(CN)CC1 Amb27597514 [1,1,0,0,0,0|0,0,1]=3 424 B11R1.3 C=C(C)[C@H]1CC=C(CO)CC1 Amb18511857 [1,1,0,0,0,0|0,0,1]=3 425 B11R1.3 C=CC1=CCC(C(=C)C)CC1 Amb27849858 [1,1,0,0,0,0|0,0,2]=4 426 B11R1.3 C=CC1=CC[C@@H](C(=C)C)CC1 Amb27799622 [1,1,0,0,0,0|0,0,2]=4 427 B11R1.3 CCC1=CC[C@H](C(C)=O)CC1 Amb27836856 [1,1,0,0,0,0|1,0,1]=4 428 B11R1.22 C=C(C=O)C1CC=C(C)CC1 Amb18125173 [1,1,0,0,0,0|0,0,2]=4 429 B11R1.22 C=C(CCl)C1CC=C(C)CC1 Amb28071054 [1,1,0,0,0,0|0,0,1]=3 430 B11R1.22 C=C(CCl)[C@H]1CC=C(C)CC1 Amb27477786 [1,1,0,0,0,0|0,0,1]=3 431 B11R1.22 C=C(CN)[C@@H]1CC=C(C)CC1 Amb28323112 [1,1,0,0,0,0|0,0,1]=3 432 B11R1.22 C=C(CO)C1CC=C(C)CC1 Amb25149575 [1,1,0,0,0,0|0,0,1]=3 433 B11R1.22 C=C(CO)[C@@H]1CC=C(C)CC1 Amb28366918 [1,1,0,0,0,0|0,0,1]=3 434 B11R1.22 CC1=CCC(C(=O)CCl)CC1 Amb27165699 [1,1,0,0,0,0|1,0,1]=4 435 B11R1.22 CC1=CCC([C@@H](C)C=O)CC1 Amb27948724 [1,1,0,0,0,0|0,0,2]=4 436 B11R1.22 CC1=CC[C@H]([C@@H](C)C=O)CC1 Amb27488233 [1,1,0,0,0,0|0,0,2]=4 437 B11R1.22 COC(=O)C1CC=C(C)CC1 Amb22493627 [1,1,0,0,0,0|1,0,1]=4 438 B11R1.22 COC(=O)[C@@H]1CC=C(C)CC1 Amb26337856 [1,1,0,0,0,0|1,0,1]=4 439 B11R1.22 COC(=O)[C@H]1CC=C(C)CC1 Amb25684213 [1,1,0,0,0,0|1,0,1]=4 440 B11R1.166 C=C(C)C1CC=C(C)CC1=O Amb24625828 [1,1,0,0,0,0|0,0,2]=4 441 B11R1.166 C=C(C)C1CC=C(C)CC1O Amb27967264 [1,1,0,0,0,0|0,0,1]=3 442 B11R1.166 C=C(C)C1CCC(C)=CC1=O Amb26062070 [1,1,0,0,0,0|0,0,2]=4 443 B11R1.166 C=C(C)[C@@H]1CC=C(C)CC1O Amb26887233 [1,1,0,0,0,0|0,0,1]=3 444 B11R1.166 C=C(C)[C@@H]1CCC(C)=C[C@H]1O Amb27448156 [1,1,0,0,0,0|0,0,1]=3 445 B11R1.166 C=C(C)[C@H]1CCC(C)=CC1=O Amb28461259 [1,1,0,0,0,0|0,0,2]=4 446 B11R1.166 C=C(C)[C@H]1CCC(C)=C[C@@H]1O Amb28069432 [1,1,0,0,0,0|0,0,1]=3 447 B11R1.166 CC(=O)C1CC=C(C)CC1O Amb27802705 [1,1,0,0,0,0|1,0,1]=4 448 B11R1.166 CC(=O)C1CCC(C)=CC1C Amb25100211 [1,1,0,0,0,0|1,0,1]=4 449 B11R1.166 CC(=O)[C@@H]1CC=C(C)C[C@H]1C Amb28052227 [1,1,0,0,0,0|1,0,1]=4 450 B11R1.166 CC(=O)[C@@H]1CC=C(C)C[C@H]1Cl Amb28436857 [1,1,0,0,0,0|1,0,1]=4 451 B11R1.166 CC(=O)[C@@H]1CCC(C)=C[C@@H]1C Amb27632382 [1,1,0,0,0,0|1,0,1]=4 452 B11R1.166 CC(=O)[C@H]1CC=C(C)C[C@@H]1O Amb28285903 [1,1,0,0,0,0|1,0,1]=4 453 B11R1.166 CC(=O)[C@H]1CCC(C)=C[C@H]1C Amb27768049 [1,1,0,0,0,0|1,0,1]=4 454 B11R1.220 C=C(C)C1(N)CC=C(C)CC1 Amb25096389 [1,1,0,0,0,0|0,0,1]=3 455 B11R1.220 C=C(C)C1(O)CC=C(C)CC1 Amb27751715 [1,1,0,0,0,0|0,0,1]=3 456 B11R1.220 CC(=O)C1(O)CC=C(C)CC1 Amb27475439 [1,1,0,0,0,0|1,0,1]=4 457 B11R1.220 CC(=O)[C@@]1(Cl)CC=C(C)CC1 Amb28285894 [1,1,0,0,0,0|1,0,1]=4 458 B11R1.220 CC(=O)[C@]1(O)CC=C(C)CC1 Amb26847058 [1,1,0,0,0,0|1,0,1]=4 459 B11R1.23 COC(=O)C1CC=CC(=O)C1 Amb24633337 [1,1,0,0,0,0|1,0,0]=3 460 B11R1.23 COC(=O)[C@@H]1CC=CC(=O)N1 Amb25734856 [1,1,0,0,0,0|2,0,0]=4 461 B11R1.23 COC(=O)[C@H]1CC=CC(=O)N1 Amb26419606 [1,1,0,0,0,0|2,0,0]=4 462 B11R1.23 C\C=C(\C)C1CCCC(=O)C1 Amb27776996 [1,1,0,0,0,0|0,0,2]=4 463 B11R1.74 C=C(C)C1CC(=O)OC(=O)C1 Amb33199203 [1,1,0,0,0,0|1,0,0]=3 464 B11R1.74 C=C(C)C1CC(=O)OC(O)C1 Amb27857569 [1,1,0,0,0,0|1,0,1]=4 465 B11R1.74 C=C(C)[C@@H]1CC(C)=C[C@H](O)C1 Amb28255456 [1,1,0,0,0,0|0,0,2]=4 466 B11R1.74 C=C(C)[C@H]1CC(C)=C[C@@H](O)C1 Amb25235741 [1,1,0,0,0,0|0,0,2]=4 467 B11R1.74 NC(=O)C1CC(=O)C=C(N)C1 Amb27590253 [1,1,0,0,0,0|2,0,0]=4 468 B11R1.155 CC(C)(C)[C@@H]1CC=CC(=O)C1 Amb28351540 [1,1,0,0,0,0|0,0,2]=4 469 B11R1.155 C[Si](C)(C)[C@@H]1CC=CC(=O)C1 Amb27486113 [1,1,0,0,0,0|0,1,1]=4 470 B11R1.167 C=C1C=CC(C)C(C(C)=O)C1 Amb27267135 [1,1,0,0,0,0|2,0,0]=4 471 B11R1.167 C=C1C=C[C@H](C)[C@H](C(C)=O)C1 Amb27854670 [1,1,0,0,0,0|2,0,0]=4 472 B11R1.266 C=C(C)[C@@H]1CCC=C(C=O)C1 Amb27848984 [1,1,0,0,0,0|0,0,1]=3 473 B11R1.667 C=C(C)[C@]1(C)CCCC(=O)C1 Amb27828900 [1,1,0,0,0,0|0,0,2]=4 474 B11R1.667 CC(=O)[C@@]1(C)CC(=O)C=CO1 Amb26925692 [1,1,0,0,0,0|2,0,0]=4 475 B11R1.667 CC1(C(=O)O)CC=CC(=O)C1 Amb17593844 [1,1,0,0,0,0|2,0,0]=4 476 B11R1.14 CCC1CC(=O)C(C)C(=O)C1 Amb28199857 [1,1,0,0,0,0|0,0,2]=4 477 B11R1.192 C=CCC1CC=C(C)C(=O)C1 Amb27750205 [1,1,0,0,0,0|0,0,0]=2 478 B11R1.192 C=CCC1CCC(C)C(=O)C1 Amb27432649 [1,1,0,0,0,0|0,0,2]=4 479 B11R1.192 C=CC[C@H]1CC=C(C)C(=O)C1 Amb28194577 [1,1,0,0,0,0|0,0,0]=2 480 B11R1.192 C=CC[C@H]1CC[C@H](C)C(=O)C1 Amb28052323 [1,1,0,0,0,0|0,0,2]=4 481 B11R1.192 C\C=C\[C@H]1CC(=O)C(C)=CO1 Amb27802466 [1,1,0,0,0,0|1,0,0]=3 482 B11R1.278 CC[C@@H]1OC=C(C)C(=O)[C@H]1C Amb27262925 [1,1,0,0,0,0|1,0,1]=4 483 B11R1.79 CC1=C[C@@H]([Si](C)(C)C)CC1=O Amb27972936 [0,1,0,0,1,0|0,1,1]=4 484 B11R1.226 CNC(=O)C1CC(=O)N(C)C1 Amb2720993 [0,1,0,0,1,0|2,0,0]=4 485 B11R1.226 COC(=O)C1CC(=O)N(C)C1 Amb17621654 [0,1,0,0,1,0|2,0,0]=4 486 B11R1.226 COC(=O)C1CC(C)=C(C)C1 Amb27590223 [0,1,0,0,1,0|2,0,0]=4 487 B11R1.487 CC1=C[C@](C)(C(C)C)CC1=O Amb28126631 [0,1,0,0,1,0|0,0,2]=4 488 B11R1.672 C=C(C)[C@@H]1CC(=O)[C@@H](C)[C@@H]1C Amb28056703 [0,1,0,0,1,0|0,0,1]=3 489 B11R1.672 C=C(C)[C@H]1CC(=O)[C@@H](C)[C@@H]1C Amb27802459 [0,1,0,0,1,0|0,0,1]=3 490 B11R1.672 CC1=C(C)C(C(C)C)CC1=O Amb28351442 [0,1,0,0,1,0|0,0,2]=4 491 B11R1.64 C=C(C)C1CCC(C)=C1CBr Amb27948076 [0,1,0,0,1,0|1,0,1]=4 492 B11R1.64 C=C(C)C1CCC(C)=C1CO Amb28370031 [0,1,0,0,1,0|0,0,2]=4 493 B11R1.64 C=C(C)[C@H]1CCC(C)=C1C=O Amb27176365 [0,1,0,0,1,0|0,0,1]=3 494 B11R1.64 C=C(C)[C@H]1CCC(C)=C1CO Amb27598588 [0,1,0,0,1,0|0,0,2]=4 495 B11R1.316 CC1=CCC([Si](C)(C)C)C1=O Amb27781988 [0,1,0,0,1,0|0,1,1]=4 496 B11R1.473 CCC1=CCC(=C(C)C)C1=O Amb27785457 [0,1,0,0,1,0|0,0,2]=4 497 B11R1.673 CC(=O)C1C(=O)C=C(C)C1=O Amb539256 [0,1,0,0,1,0|1,0,1]=4 498 B11R1.1270 CC1=CCC(C)(C(=O)Cl)C1=O Amb25760656 [0,1,0,0,1,0|2,0,0]=4 499 B11R1.1270 CC1=CCC(C)(C(C)C)C1=O Amb28182524 [0,1,0,0,1,0|0,0,2]=4 500 B13R1.35 CC(C)=CC1CC=C(CO)C(=O)O1 Amb27978420 [0,1,0,0,0,1|1,0,1]=4 501 B13R1.510 C=C(C(=O)O)C1CC=C(C)C(=O)C1 Amb27807905 [0,1,0,0,0,1|2,0,0]=4 502 B13R1.510 CC1=CCC(C(C)C(=O)O)CC1=O Amb26335982 [0,1,0,0,0,1|2,0,0]=4 503 B13R1.510 CC1=CC[C@@H](C(C)C(C)O)CC1=O Amb27169911 [0,1,0,0,0,1|1,0,1]=4 504 B13R1.2879 CC\C(C)=C\C1CC=C(C)C(=O)C1 Amb25985974 [0,1,0,0,0,1|0,0,1]=3 505 B13R1.8504 C=C(C)C1C=CC(C)(C)CC(=O)C1 Amb27762483 [0,1,0,0,0,1|0,0,2]=4 506 B13R1.890 C=C(C)[C@@H]1CC=C(C)C(C)(O)C1O Amb27394815 [0,2,0,0,0,0|0,0,2]=4 507 B13R1.6806 C=C(C)C1CC=C(C)C(O)(CO)C1 Amb27958533 [0,2,0,0,0,0|0,0,2]=4 508 B13R1.6806 C=C(C)[C@@H]1CC=C(C)C(O)(CO)C1 Amb27980607 [0,2,0,0,0,0|0,0,2]=4 509 B13R1.38 CC(C)(O)C1CC=C(CO)C(=O)C1 Amb27835896 [0,2,0,0,0,0|0,0,2]=4 510 B13R1.272 CC1=CCC(C(C)(O)CCl)CC1=O Amb27455142 [0,2,0,0,0,0|0,0,2]=4 511 B13R1.272 CC1=CCC(C(C)(O)CO)CC1=O Amb25180387 [0,2,0,0,0,0|0,0,2]=4 512 B13R1.272 CC1=CC[C@H]([C@@](C)(O)CO)CC1=O Amb27184355 [0,2,0,0,0,0|0,0,2]=4 513 B13R1.877 CC1=CC(O)C(C(C)(C)O)CC1=O Amb28069676 [0,2,0,0,0,0|0,0,2]=4 514 B13R1.144 C=C(C)C1CC=C(CCO)C(O)C1 Amb27605294 [0,2,0,0,0,0|0,0,2]=4 515 B13R1.652 CC(C)C1CC(=O)C(CO)=CC1O Amb28294094 [0,2,0,0,0,0|0,0,2]=4 516 B13R1.3096 C=C(C)[C@@H]1CC=C(CO)[C@@H](O)[C@@H]1O Amb27443238 [0,2,0,0,0,0|0,0,2]=4 517 B13R1.5944 C=CC1(C)CCC(C(=C)C)CC1=O Amb27861492 [0,2,0,0,0,0|0,0,2]=4 518 B13R1.13 C=C(C)[C@@H]1CC=C(C)C(C(C)=O)C1 Amb28367056 [0,2,0,0,0,0|0,0,1]=3 519 B13R1.298 C#CC1=C(C)C(O)CC(C(=C)C)C1 Amb27188034 [0,2,0,0,0,0|0,0,2]=4 520 B13R1.298 C=C(C)C1CC(=O)C(C)C(C#N)C1 Amb22505276 [0,2,0,0,0,0|0,0,2]=4 521 B13R1.298 C=C(C)[C@@H]1CC(=O)[C@@H](C)[C@@H](C#N)C1 Amb2610001 [0,2,0,0,0,0|0,0,2]=4 522 B13R1.298 C=C(C)[C@@H]1CC(=O)[C@@H](C)[C@H](C#N)C1 Amb27433085 [0,2,0,0,0,0|0,0,2]=4 523 B13R1.298 C=C(C)[C@H]1CC(=O)C(C)C(C#N)C1 Amb33310012 [0,2,0,0,0,0|0,0,2]=4 524 B13R1.298 C=C(C)[C@H]1CC(=O)C(C)C(CN)C1 Amb33070144 [0,2,0,0,0,0|0,0,2]=4 525 B13R1.298 C=C(C)[C@H]1CC(=O)[C@@H](C)[C@H](CCl)C1 Amb28069421 [0,2,0,0,0,0|0,0,2]=4 526 B13R1.298 C=C(C)[C@H]1CC(=O)[C@H](C)[C@@H](C#N)C1 Amb27970142 [0,2,0,0,0,0|0,0,2]=4 527 B13R1.298 C=C(C)[C@H]1CC(=O)[C@H](C)[C@H](C#N)C1 Amb24308913 [0,2,0,0,0,0|0,0,2]=4 528 B13R1.298 C=CC1=C(C)[C@H](O)C[C@@H](C(=C)C)C1 Amb28066035 [0,2,0,0,0,0|0,0,2]=4 529 B13R1.298 CC(=O)[C@@H]1CC(=O)C(C)=C(C#N)C1 Amb27873026 [0,2,0,0,0,0|1,0,0]=3 530 B13R1.354 C=C(C)C1CC=C(C)C(N=[N+]=[N-])C1 Amb27758741 [0,2,0,0,0,0|1,0,1]=4 531 B13R1.354 C=C(C)C1CC=C(C)\C(=N/OC)C1 Amb27805022 [0,2,0,0,0,0|0,0,1]=3 532 B13R1.354 C=C(C)[C@@H]1CC=C(C)[C@H](N=[N+]=[N-])C1 Amb27642160 [0,2,0,0,0,0|1,0,1]=4 533 B13R1.3230 C=C(C)[C@@H]1CC=C(C)[C@@H](OC)[C@H]1O Amb27420681 [0,2,0,0,0,0|0,0,2]=4 534 B13R1.2811 C=C(C)C1CC(=O)C(C)=C(C)C1C Amb28144100 [0,2,0,0,0,0|0,0,0]=2 535 B13R1.2811 C=C(C)C1CC(O)C(C)=C(C)C1C Amb28283772 [0,2,0,0,0,0|0,0,2]=4 536 B13R1.466 CC1=CCC(C(C)CC=O)CC1=O Amb27227086 [0,2,0,0,0,0|0,0,1]=3 537 B13R1.466 CC1=CC[C@@H]([C@@H](C)CC=O)CC1=O Amb27789835 [0,2,0,0,0,0|0,0,1]=3 538 B13R1.1808 C=C(CO)[C@@H]1CC=C(C)[C@@H](O)[C@@H]1O Amb27651726 [0,2,0,0,0,0|0,0,2]=4 539 B13R1.3158 C=C(C)C1CC=C(C)C(=O)C1CO Amb27790200 [0,2,0,0,0,0|0,0,0]=2 540 B13R1.3158 C=C(C)[C@@H]1CC=C(C)C(=O)C1CC Amb27261932 [0,2,0,0,0,0|0,0,0]=2 541 B13R1.3158 C=C(C)[C@H]1CC=C(C)C(=O)C1C=O Amb27828028 [0,2,0,0,0,0|0,0,0]=2 542 B13R1.3158 C=C(C)[C@H]1CC=C(C)C(=O)[C@@H]1CO Amb27432156 [0,2,0,0,0,0|0,0,0]=2 543 B13R1.3158 C=CC1C(=O)C(C)=CCC1C(=C)C Amb27772320 [0,2,0,0,0,0|0,0,0]=2 544 B13R1.3158 C=CC1C(=O)C(C)CCC1C(=C)C Amb28381197 [0,2,0,0,0,0|0,0,2]=4 545 B13R1.3158 CC1=CC[C@@H](C(C)C)[C@H](C=O)C1=O Amb27841148 [0,2,0,0,0,0|0,0,2]=4 546 B13R1.7589 C=C(C)C1CC=C(C)C(=O)C1(C)C Amb28253748 [0,2,0,0,0,0|0,0,0]=2 547 B13R1.7589 C=C(C)[C@@H]1CC=C(C)C(=O)C1(C)C Amb27802701 [0,2,0,0,0,0|0,0,0]=2 548 B13R1.8378 C=C(C)C1CC(=O)C(C)(C)C(O)C1 Amb27855373 [0,2,0,0,0,0|0,0,2]=4 549 B13R1.8378 C=C(C)[C@@H]1CC(=O)C(C)(C)[C@@H](O)C1 Amb27427980 [0,2,0,0,0,0|0,0,2]=4 550 B13R1.8378 C=C(C)[C@@H]1CC(=O)C(C)(O)C(O)C1 Amb27598525 [0,2,0,0,0,0|0,0,2]=4 551 B13R1.8378 C=C(C)[C@@H]1CC(=O)[C@@](C)(O)[C@H](O)C1 Amb28053809 [0,2,0,0,0,0|0,0,2]=4 552 B13R1.8378 C=C(C)[C@H]1CC(=O)C(C)(O)C(O)C1 Amb27981894 [0,2,0,0,0,0|0,0,2]=4 553 B11R1.497 C=C(C)[C@@H]1CCCCC(=O)C1 Amb27823658 [0,0,1,1,0,0|0,0,2]=4 554 B11R1.870 C=C(C)C1CCC1C(=O)OC Amb25366544 [0,0,1,1,0,0|1,0,1]=4 555 B11R1.42 C\C=C1/CC(C)(C)CCC1=O Amb27409598 [0,0,1,1,0,0|0,0,2]=4 556 B11R1.103 C=C(C)CCC(=O)C1CC1C Amb27986860 [0,0,1,1,0,0|0,0,2]=4 557 B11R1.296 C=C1CC(C(=O)N(C)OC)C1 Amb22008471 [0,0,1,1,0,0|2,0,0]=4 558 B11R1.313 CC(=O)OC1CC=C(C)C1=O Amb25938770 [0,0,1,1,0,0|2,0,0]=4 559 B11R1.346 C=C(C)CCC(=O)C1CCC1 Amb27986858 [0,0,1,1,0,0|0,0,2]=4 560 B11R1.347 C=C(C)CCC(=O)C1(C)CC1 Amb27269949 [0,0,1,1,0,0|0,0,2]=4 561 B11R1.566 CC1=CCC(C)(C)CCC1=O Amb22356979 [0,0,1,1,0,0|0,0,2]=4 562 B11R1.511 CC1=CC[C@H](C)C(C)(C)C1=O Amb28381118 [0,0,1,1,0,0|0,0,2]=4 563 B11R1.5 C=CCC1CC=CCCC1=O Amb27261916 [0,0,1,1,0,0|2,0,0]=4 564 B11R1.53 C=C(C)[C@@H]1CCCC[C@H]1C=O Amb27876976 [0,0,1,1,0,0|0,0,2]=4 565 B11R1.53 C=C(C)[C@H]1CCCC[C@@H]1C=O Amb27841303 [0,0,1,1,0,0|0,0,2]=4 566 B11R1.53 O=CC1CC=CCC1C(=O)O Amb27816035 [0,0,1,1,0,0|2,0,0]=4 567 B11R1.53 O=C[C@@H]1CC=CC[C@@H]1C(=O)O Amb28052118 [0,0,1,1,0,0|2,0,0]=4 568 B11R1.81 Cc1ccc(CC=O)c(C)c1 Amb10844836 [0,0,1,1,0,0|0,0,2]=4 569 B11R1.126 CC1=CCC(CC=O)C1(C)C Amb1033012 [0,0,1,1,0,0|0,0,2]=4 570 B11R1.126 CC1=CC[C@@H](CC=O)C1(C)C Amb27481675 [0,0,1,1,0,0|0,0,2]=4 571 B11R1.230 C=CCCC1CC(=O)C=C1C Amb27972916 [0,0,1,1,0,0|0,0,2]=4 572 B11R1.230 C\C=C\CC1=C(C)CC(=O)C1 Amb26936611 [0,0,1,1,0,0|0,0,2]=4 573 B11R1.230 C\C=C\CC1CC(=O)OC1=O Amb19944672 [0,0,1,1,0,0|2,0,0]=4 574 B11R1.165 CC1=CC(C)(C)C(C)CC1=O Amb27227008 [0,0,1,1,0,0|0,0,2]=4 575 B11R1.165 CC1=CC(C)(C)[C@H](C)CC1=O Amb27972999 [0,0,1,1,0,0|0,0,2]=4 576 B11R1.175 C=C(C)[C@@H]1CC=C(C(C)=O)C1 Amb25074473 [0,0,1,1,0,0|2,0,0]=4 577 B11R1.175 C=C(C)[C@H]1CC=C(C(C)=O)C1 Amb27470722 [0,0,1,1,0,0|2,0,0]=4 578 B11R2.363 CC1=CC[C@H]2C(=O)C[C@H]2C1 Amb27452821 [1,0,0,1,0,0|1,0,1]=4 579 B11R2.47 CC1=CC2CCC1CC2=O Amb26590988 [1,0,0,1,0,0|0,0,2]=4 580 B11R2.47 CC1=C[C@H]2CC[C@@H]1CC2=O Amb28324427 [1,0,0,1,0,0|0,0,2]=4 581 B11R2.130 C=C1C(=O)CC2C=CC1C2 Amb27954179 [1,0,0,1,0,0|0,0,2]=4 582 B11R2.130 C[C@@H]1C(=O)C[C@H]2C=C[C@@H]1C2 Amb27262965 [1,0,0,1,0,0|0,0,2]=4 583 B11R2.679 C[C@@]12C=C[C@@H](CC1)CC2=O Amb27202665 [1,0,0,1,0,0|0,0,2]=4 584 B11R2.63 CC1=CCC2CCC1C2=O Amb28351518 [0,0,0,1,1,0|0,0,2]=4 585 B13R2.13052 CC1=CCC2CC(C1=O)C2(C)C Amb6360178 [0,0,0,1,0,1|0,0,2]=4 586 B13R2.5236 C=C(C)C1CC(=O)C2(C)OC2C1 Amb26074378 [0,0,0,1,0,1|0,0,2]=4 587 B13R2.5236 C=C(C)[C@@H]1CC(=O)[C@@]2(C)O[C@H]2C1 Amb26624862 [0,0,0,1,0,1|0,0,2]=4 588 B13R2.5236 C=C(C)[C@@H]1CC(=O)[C@]2(C)O[C@@H]2C1 Amb26927587 [0,0,0,1,0,1|0,0,2]=4 589 B13R2.5236 C=C(C)[C@H]1CC(=O)C2(C)OC2C1 Amb27954081 [0,0,0,1,0,1|0,0,2]=4 590 B13R2.5236 C=C(C)[C@H]1CC(=O)[C@@]2(C)C[C@H]2C1 Amb28052509 [0,0,0,1,0,1|0,0,2]=4 591 B13R2.5236 C=C(C)[C@H]1CC(=O)[C@@]2(C)O[C@H]2C1 Amb26020790 [0,0,0,1,0,1|0,0,2]=4 592 B13R2.5236 C=C(C)[C@H]1CC(=O)[C@]2(C)OC2C1 Amb28052577 [0,0,0,1,0,1|0,0,2]=4 593 B13R2.5236 C=C(C)[C@H]1CC(=O)[C@]2(C)O[C@@H]2C1 Amb17610645 [0,0,0,1,0,1|0,0,2]=4 594 B13R2.4918 CC1=CC[C@H]2CC(=O)[C@@H]1C2(C)C Amb27447276 [0,0,0,1,0,1|0,0,2]=4 595 B13R2.5238 CC1=C[C@@H]2[C@H](CC(=O)C1)C2(C)C Amb27263015 [0,0,0,1,0,1|0,0,2]=4 596 B13R2.524 C=C(C)[C@@H]1CC=C(C)C2(CO2)C1 Amb27487065 [0,1,0,1,0,0|0,0,2]=4 597 B13R2.1057 CC1=CC[C@H](C2(C)CO2)CC1=O Amb27177632 [0,1,0,1,0,0|0,0,2]=4 598 B13R2.3257 CC1=C(C)CC2C(C)=C(C)C2C1 Amb27596807 [0,1,0,1,0,0|1,0,1]=4 599 B13R2.3257 CC1=C(C)C[C@H]2C(C)=C(C)[C@H]2C1 Amb27645268 [0,1,0,1,0,0|1,0,1]=4 600 B13R2.5180 C=C1CO[C@@H]2[C@H]1CC=C(C)[C@H]2O Amb27775771 [0,1,0,1,0,0|0,0,2]=4 601 B13R2.15165 CNC(=O)C1C2C=C(F)C(=O)C21 Amb27868489 [0,1,0,1,0,0|2,0,0]=4 602 B9R0.29 C=C(C)C(CN)C(=O)OC Amb33199522 [0,0,1,0,1,0|2,0,0]=4 603 B9R0.23 C=C(C)CC(=O)C(C)CC Amb27875938 [0,0,1,0,1,0|0,0,2]=4 604 B9R0.23 C=C(C)CC(=O)C(C)NC Amb28050439 [0,0,1,0,1,0|1,0,1]=4 605 B9R0.23 C=C(C)CC(=O)C(C)OC Amb28461000 [0,0,1,0,1,0|1,0,1]=4 606 B9R0.23 C\C=C(/C)C(=O)C=C(C)C Amb27409574 [0,0,1,0,1,0|0,0,2]=4 607 B9R0.23 C\C=C(\C)C(=O)NC(C)=O Amb27810928 [0,0,1,0,1,0|2,0,0]=4 608 B9R0.79 C=C(C)C(=O)C(C)C(=C)C Amb27260801 [0,0,1,0,1,0|0,0,0]=2 609 B9R0.79 C=C(C)C(=O)C(C)C(C)=O Amb25869922 [0,0,1,0,1,0|1,0,0]=3 610 B9R1.35 C=C(C)C1CNC(=O)C1 Amb25921040 [1,0,0,0,1,0|2,0,0]=4 611 B9R1.35 C=C(C)c1cc(C)cs1 Amb28436270 [1,0,0,0,1,0|1,0,1]=4 612 B9R1.35 CC(=O)C1C=C(C)CC1 Amb28137737 [1,0,0,0,1,0|1,0,1]=4 613 B9R1.35 CC(=O)C1CC=C(C)C1 Amb26910073 [1,0,0,0,1,0|1,0,0]=3 614 B9R1.35 CC1=CCC(C(N)=O)C1 Amb28195175 [1,0,0,0,1,0|2,0,0]=4 615 B9R1.41 CC(=O)N1CC=CC1=O Amb22494822 [1,0,0,0,1,0|2,0,0]=4 616 B9R1.41 C[C@@H](O)[C@H]1CC=CC1=O Amb27854025 [1,0,0,0,1,0|1,0,1]=4 617 B9R1.23 CN1CC(C=O)CC1=O Amb23449579 [1,0,0,0,1,0|2,0,0]=4 618 B9R1.23 CNC1CC(=O)N(C)C1 Amb25142512 [1,0,0,0,1,0|2,0,0]=4 619 B9R1.23 COC1C=C(C)C(=O)C1 Amb28351569 [1,0,0,0,1,0|1,0,0]=3 620 B9R1.23 COC1CC(=O)C(=O)C1 Amb9782775 [1,0,0,0,1,0|2,0,0]=4 621 B9R1.23 C\C=C1/C=C(C)C(=O)C1 Amb24364089 [1,0,0,0,1,0|0,0,1]=3 622 B9R1.23 C\C=C1/CC(=O)N(C)C1 Amb27427508 [1,0,0,0,1,0|1,0,1]=4 623 B9R1.55 C=C(C)[C@@H]1NC(=O)[C@@H]1C Amb28129030 [0,0,0,0,2,0|1,0,1]=4 624 B11R0.6 CC(=O)CS\C=C(\C)NC(C)=O Amb24753936 [0,0,1,0,0,1|2,0,0]=4 625 B11R1.157 C=C(C)CC1CCCC(=O)C1 Amb27869333 [1,0,0,0,0,1|0,0,2]=4 626 B11R1.157 CC(=O)CC1CC=CC(=O)C1 Amb27785422 [1,0,0,0,0,1|1,0,0]=3