0 B13R0.147 C#CC(=O)CCCCCCCCC=C 1458a_100000211873_100011933949 [0,0,0,0,0,0|1,0,1]=2 1 B13R0.147 C#CC(=O)CCCCCCCCCC 1458a_100000211873_100000210319 [0,0,0,0,0,0|1,0,3]=4 2 B13R0.147 C#CC(=O)CCCCCCCCCO 1458a_100000211873_100009813782 [0,0,0,0,0,0|2,0,2]=4 3 B13R0.147 C#CCCCCCCCCC(=O)CC 1458a_100000029693_100000210202 [0,0,0,0,0,0|1,0,2]=3 4 B13R0.147 C#CCCCCCCCCC(=O)CF 1458a_100000029693_100015361967 [0,0,0,0,0,0|2,0,2]=4 5 B13R0.147 C#CCCCCCCCCC(=O)NC 11a_106832991635_100000029693 [0,0,0,0,0,0|1,0,2]=3 6 B13R0.147 C#CCCCCCCCCC(=O)NC 1626a_100102657272_100000029693 [0,0,0,0,0,0|1,0,2]=3 7 B13R0.147 C#CCCCCCCCCC(=O)NC 240690a_100102657272_100000029693 [0,0,0,0,0,0|1,0,2]=3 8 B13R0.147 C#CCCCCCCCCC(=O)NC 527a_100102657272_100000029693 [0,0,0,0,0,0|1,0,2]=3 9 B13R0.147 C#CCCCCCCNCC(=O)NC 2230a_100000693194_100012276617 [0,0,0,0,0,0|2,0,2]=4 10 B13R0.147 C#CCCCCCCOCC(=O)CC 34a_100000725409_100012276617 [0,0,0,0,0,0|2,0,2]=4 11 B13R0.147 C#CCCCCCCOCC(=O)CC 7a_100011217361_100000747405 [0,0,0,0,0,0|2,0,2]=4 12 B13R0.147 C#CCCCCCCOCC(=O)NC 34a_100000750040_100012276617 [0,0,0,0,0,0|2,0,2]=4 13 B13R0.147 C#CCCCCCCOCC(=O)NC 34a_100011217361_100000183359 [0,0,0,0,0,0|2,0,2]=4 14 B13R0.147 C#CCCCCCCOCC(=O)NC 7a_100011217361_100000183359 [0,0,0,0,0,0|2,0,2]=4 15 B13R0.147 C#CCCCCCCOCC(=O)OC 34a_100011217361_100000747449 [0,0,0,0,0,0|1,0,2]=3 16 B13R0.147 C#CCCCCCCOCC(=O)OC 7a_100011217361_100000747449 [0,0,0,0,0,0|1,0,2]=3 17 B13R0.147 C#CCCCCCCSCC(=O)CC 62a_100000747405_100012276617 [0,0,0,0,0,0|2,0,2]=4 18 B13R0.147 C#CCCCCCCSCC(=O)CC 62a_100012276617_100000747405 [0,0,0,0,0,0|2,0,2]=4 19 B13R0.147 C#CCCCCCCSCC(=O)NC 62a_100000183359_100012276617 [0,0,0,0,0,0|2,0,2]=4 20 B13R0.147 C#CCCCCCCSCC(=O)NC 62a_100012276617_100000183359 [0,0,0,0,0,0|2,0,2]=4 21 B13R0.147 C#CCCCCCCSCC(=O)OC 62a_100000747449_100012276617 [0,0,0,0,0,0|1,0,2]=3 22 B13R0.147 C#CCCCCCCSCC(=O)OC 62a_100012276617_100000747449 [0,0,0,0,0,0|1,0,2]=3 23 B13R0.147 C#CCCCCCNCCC(=O)NC 2230a_100000738227_100012094781 [0,0,0,0,0,0|2,0,2]=4 24 B13R0.147 C#CCCCCCNCCC(=O)NC 34a_100000738227_100012094781 [0,0,0,0,0,0|2,0,2]=4 25 B13R0.147 C#CCCCCCOCCC(=O)NC 34a_100000754576_100012094781 [0,0,0,0,0,0|2,0,2]=4 26 B13R0.147 C#CCCCCCOCCC(=O)NC 34a_100000766912_100012179268 [0,0,0,0,0,0|2,0,2]=4 27 B13R0.147 C#CCCCCCOCCC(=O)NC 7a_100000766912_100000737683 [0,0,0,0,0,0|2,0,2]=4 28 B13R0.147 C#CCCCCCOCCC(=O)OC 34a_100000766912_100000742370 [0,0,0,0,0,0|1,0,2]=3 29 B13R0.147 C#CCCCCCOCCC(=O)OC 7a_100000766912_100000204255 [0,0,0,0,0,0|1,0,2]=3 30 B13R0.147 C#CCCCCCSCCC(=O)NC 62a_100000737683_100012094781 [0,0,0,0,0,0|2,0,2]=4 31 B13R0.147 C#CCCCCCSCCC(=O)NC 62a_100012094781_100000737683 [0,0,0,0,0,0|2,0,2]=4 32 B13R0.147 C#CCCCCCSCCC(=O)OC 62a_100000204255_100012094781 [0,0,0,0,0,0|1,0,2]=3 33 B13R0.147 C#CCCCCCSCCC(=O)OC 62a_100012094781_100000204255 [0,0,0,0,0,0|1,0,2]=3 34 B13R0.147 C#CCCCCCSCOC(=O)OC 62a_100012094781_100000139417 [0,0,0,0,0,0|2,0,2]=4 35 B13R0.147 C#CCCCCNCCCC(=O)NC 2230a_100000706060_100000741757 [0,0,0,0,0,0|2,0,2]=4 36 B13R0.147 C#CCCCCNCCCC(=O)NC 2230a_100000740002_100010269958 [0,0,0,0,0,0|2,0,2]=4 37 B13R0.147 C#CCCCCNCCCC(=O)NC 34a_100000706060_100000741757 [0,0,0,0,0,0|2,0,2]=4 38 B13R0.147 C#CCCCCNCCCC(=O)NC 34a_100000740002_100010269958 [0,0,0,0,0,0|2,0,2]=4 39 B13R0.147 C#CCCCCNCCCC(=O)OC 2230a_100000706060_100011218270 [0,0,0,0,0,0|1,0,2]=3 40 B13R0.147 C#CCCCCNCCCC(=O)OC 34a_100000706060_100000742333 [0,0,0,0,0,0|1,0,2]=3 41 B13R0.147 C#CCCCCOCCCC(=O)NC 34a_100000766709_100000741757 [0,0,0,0,0,0|2,0,2]=4 42 B13R0.147 C#CCCCCOCCCC(=O)NC 7a_100000766709_100000741757 [0,0,0,0,0,0|2,0,2]=4 43 B13R0.147 C#CCCCCOCCCC(=O)OC 34a_100000766709_100000742333 [0,0,0,0,0,0|1,0,2]=3 44 B13R0.147 C#CCCCCOCCCC(=O)OC 7a_100000766709_100011218270 [0,0,0,0,0,0|1,0,2]=3 45 B13R0.147 C#CCCCCOCCNC(=O)OC 34a_100000757965_100010269958 [0,0,0,0,0,0|2,0,2]=4 46 B13R0.147 C#CCCCCOCCOC(=O)OC 34a_100010262106_100010269958 [0,0,0,0,0,0|2,0,2]=4 47 B13R0.147 C#CCCCCSCCCC(=O)NC 62a_100000741757_100010269958 [0,0,0,0,0,0|2,0,2]=4 48 B13R0.147 C#CCCCCSCCCC(=O)NC 62a_100010269958_100000741757 [0,0,0,0,0,0|2,0,2]=4 49 B13R0.147 C#CCCCCSCCCC(=O)OC 62a_100010269958_100011218270 [0,0,0,0,0,0|1,0,2]=3 50 B13R0.147 C#CCCCCSCCCC(=O)OC 62a_100011218270_100010269958 [0,0,0,0,0,0|1,0,2]=3 51 B13R0.147 C#CCCCNCCCCC(=O)OC 34a_100000718082_100000204269 [0,0,0,0,0,0|1,0,2]=3 52 B13R0.147 C#CCCCNCCOCC(=O)OC 34a_100000718082_100000090808 [0,0,0,0,0,0|2,0,2]=4 53 B13R0.147 C#CCCCOCCCCC(=O)OC 34a_100000059025_100000695029 [0,0,0,0,0,0|1,0,2]=3 54 B13R0.147 C#CCCCOCCCCC(=O)OC 34a_100000215630_100000204269 [0,0,0,0,0,0|1,0,2]=3 55 B13R0.147 C#CCCCOCCCCC(=O)OC 7a_100000059025_100011215417 [0,0,0,0,0,0|1,0,2]=3 56 B13R0.147 C#CCCCOCCCCC(=O)OC 7a_100000215630_100000204269 [0,0,0,0,0,0|1,0,2]=3 57 B13R0.147 C#CCCCOCCOCC(=O)OC 34a_100000215630_100000090808 [0,0,0,0,0,0|2,0,2]=4 58 B13R0.147 C#CCCCOCCOCC(=O)OC 7a_100000215630_100000090808 [0,0,0,0,0,0|2,0,2]=4 59 B13R0.147 C#CCCCSCCCCC(=O)OC 62a_100000204269_100011215417 [0,0,0,0,0,0|1,0,2]=3 60 B13R0.147 C#CCCCSCCCCC(=O)OC 62a_100011215417_100000204269 [0,0,0,0,0,0|1,0,2]=3 61 B13R0.147 C#CCCCSCCOCC(=O)OC 62a_100000090808_100011215417 [0,0,0,0,0,0|2,0,2]=4 62 B13R0.147 C#CCCCSCCOCC(=O)OC 62a_100011215417_100000090808 [0,0,0,0,0,0|2,0,2]=4 63 B13R0.147 C#CCCNCCCCCC(=O)OC 34a_100000755551_100009816466 [0,0,0,0,0,0|1,0,2]=3 64 B13R0.147 C#CCCOCCCCCC(=O)OC 34a_100000074720_100000688953 [0,0,0,0,0,0|1,0,2]=3 65 B13R0.147 C#CCCOCCCCCC(=O)OC 34a_100011215631_100009816466 [0,0,0,0,0,0|1,0,2]=3 66 B13R0.147 C#CCCOCCCCCC(=O)OC 7a_100000074720_100000688953 [0,0,0,0,0,0|1,0,2]=3 67 B13R0.147 C#CCCSCCCCCC(=O)OC 62a_100000688953_100009816466 [0,0,0,0,0,0|1,0,2]=3 68 B13R0.147 C#CCCSCCCCCC(=O)OC 62a_100009816466_100000688953 [0,0,0,0,0,0|1,0,2]=3 69 B13R0.147 C#CCNCCCCCCC(=O)OC 34a_100000212058_100009815986 [0,0,0,0,0,0|1,0,2]=3 70 B13R0.147 C#CCOCCCCCCC(=O)OC 34a_100000210247_100009815986 [0,0,0,0,0,0|1,0,2]=3 71 B13R0.147 C#CCOCCCCCCC(=O)OC 34a_100009863599_100000184674 [0,0,0,0,0,0|1,0,2]=3 72 B13R0.147 C#CCOCCCCCCC(=O)OC 7a_100009863599_100000038162 [0,0,0,0,0,0|1,0,2]=3 73 B13R0.147 C#CCOCCNCCCC(=O)OC 2230a_100000700922_100011218270 [0,0,0,0,0,0|2,0,2]=4 74 B13R0.147 C#CCOCCNCCCC(=O)OC 34a_100000700922_100000742333 [0,0,0,0,0,0|2,0,2]=4 75 B13R0.147 C#CCOCCOCCCC(=O)OC 34a_100000054580_100000742333 [0,0,0,0,0,0|2,0,2]=4 76 B13R0.147 C#CCOCCOCCCC(=O)OC 7a_100000054580_100011218270 [0,0,0,0,0,0|2,0,2]=4 77 B13R0.147 C#CCOCCSCCCC(=O)OC 62a_100010402529_100011218270 [0,0,0,0,0,0|2,0,2]=4 78 B13R0.147 C#CCOCCSCCCC(=O)OC 62a_100011218270_100010402529 [0,0,0,0,0,0|2,0,2]=4 79 B13R0.147 C#CCSCCCCCCC(=O)OC 62a_100000038162_100009815986 [0,0,0,0,0,0|1,0,2]=3 80 B13R0.147 C/C=C/CCOCCCCC(=O)OC 34a_100016278192_100000204269 [0,0,0,0,0,0|1,0,2]=3 81 B13R0.147 C/C=C/CCOCCOCC(=O)OC 34a_100016278192_100000090808 [0,0,0,0,0,0|2,0,2]=4 82 B13R0.147 C/C=C/COCCCCCC(=O)OC 34a_100000074720_100102629194 [0,0,0,0,0,0|1,0,2]=3 83 B13R0.147 C/C=C/COCCCCCC(=O)OC 34a_100016270725_100009816466 [0,0,0,0,0,0|1,0,2]=3 84 B13R0.147 C/C=C/COCCCCCC(=O)OC 7a_100000074720_100102629194 [0,0,0,0,0,0|1,0,2]=3 85 B13R0.147 C/C=C/CSCCCCCC(=O)OC 62a_100009816466_100102629194 [0,0,0,0,0,0|1,0,2]=3 86 B13R0.147 C/C=C/CSCCCCCC(=O)OC 62a_100102629194_100009816466 [0,0,0,0,0,0|1,0,2]=3 87 B13R0.147 C=CC(=O)CCCCCCCCCC 1458a_100000185746_100000210319 [0,0,0,0,0,0|1,0,3]=4 88 B13R0.147 C=CC(=O)CCCCCCCCCO 1458a_100000185746_100009813782 [0,0,0,0,0,0|2,0,2]=4 89 B13R0.147 C=CCCC/C=C/COCC(=O)CC 7a_200016268473_100000747405 [0,0,0,0,0,0|2,0,2]=4 90 B13R0.147 C=CCCC/C=C/COCC(=O)NC 34a_200016268473_100000183359 [0,0,0,0,0,0|2,0,2]=4 91 B13R0.147 C=CCCC/C=C/COCC(=O)NC 7a_200016268473_100000183359 [0,0,0,0,0,0|2,0,2]=4 92 B13R0.147 C=CCCC/C=C/COCC(=O)OC 34a_200016268473_100000747449 [0,0,0,0,0,0|1,0,2]=3 93 B13R0.147 C=CCCC/C=C/COCC(=O)OC 7a_200016268473_100000747449 [0,0,0,0,0,0|1,0,2]=3 94 B13R0.147 C=CCCCCCCCCC(=O)C=C 1458a_100000185746_100011933949 [0,0,0,0,0,0|1,0,1]=2 95 B13R0.147 C=CCCCCCCCCC(=O)CC 1458a_100000210414_100011933949 [0,0,0,0,0,0|1,0,0]=1 96 B13R0.147 C=CCCCCCCCCC(=O)CC 1458a_100000211349_100000210202 [0,0,0,0,0,0|1,0,0]=1 97 B13R0.147 C=CCCCCCCCCC(=O)CF 1458a_100000211349_100015361967 [0,0,0,0,0,0|2,0,0]=2 98 B13R0.147 C=CCCCCCCCCC(=O)CO 1458a_100000210174_100011933949 [0,0,0,0,0,0|2,0,0]=2 99 B13R0.147 C=CCCCCCCCCC(=O)NC 11a_106832991635_100000211349 [0,0,0,0,0,0|1,0,0]=1 100 B13R0.147 C=CCCCCCCCCC(=O)NC 1626a_100102657272_100000211349 [0,0,0,0,0,0|1,0,0]=1 101 B13R0.147 C=CCCCCCCCCC(=O)NC 240690a_100102657272_100000211349 [0,0,0,0,0,0|1,0,0]=1 102 B13R0.147 C=CCCCCCCCCC(=O)NC 527a_100102657272_100000211349 [0,0,0,0,0,0|1,0,0]=1 103 B13R0.147 C=CCCCCCCCCN(C)CC 2230a_100000225621_100011933949 [0,0,0,0,0,0|3,0,0]=3 104 B13R0.147 C=CCCCCCCCCN(C)CC 269982a_100000225621_100011933949 [0,0,0,0,0,0|3,0,0]=3 105 B13R0.147 C=CCCCCCCCNC(C)CC 2230a_100000209981_100012355270 [0,0,0,0,0,0|3,0,1]=4 106 B13R0.147 C=CCCCCCCCOC(C)CC 34a_100000730831_100011215416 [0,0,0,0,0,0|3,0,1]=4 107 B13R0.147 C=CCCCCCCCOC(C)CC 7a_100000210228_100012355270 [0,0,0,0,0,0|3,0,1]=4 108 B13R0.147 C=CCCCCCCCOC(C)CC 7a_100000730831_100000758301 [0,0,0,0,0,0|3,0,1]=4 109 B13R0.147 C=CCCCCCCCSC(C)CC 62a_100000758301_100012355270 [0,0,0,0,0,0|3,0,1]=4 110 B13R0.147 C=CCCCCCCCSC(C)CC 62a_100012355270_100000758301 [0,0,0,0,0,0|3,0,1]=4 111 B13R0.147 C=CCCCCCCCSC(C)OC 62a_100009879195_100012355270 [0,0,0,0,0,0|2,0,1]=3 112 B13R0.147 C=CCCCCCCCSC(C)OC 62a_100012355270_100009879195 [0,0,0,0,0,0|2,0,1]=3 113 B13R0.147 C=CCCCCCCNCC(=O)NC 2230a_100000693194_100011215473 [0,0,0,0,0,0|2,0,0]=2 114 B13R0.147 C=CCCCCCCNCC(C)CC 2230a_100020588543_100011215473 [0,0,0,0,0,0|3,0,1]=4 115 B13R0.147 C=CCCCCCCNCC(O)CC 2230a_100011218483_100011215473 [0,0,0,0,0,0|2,0,2]=4 116 B13R0.147 C=CCCCCCCNC[C@@H](C)OC 2230a_100020591295_100011215473 [0,0,0,0,0,0|2,0,1]=3 117 B13R0.147 C=CCCCCCCOCC(=C)C#N 34a_200011216477_100000694840 [0,0,0,0,0,0|4,0,0]=4 118 B13R0.147 C=CCCCCCCOCC(=O)CC 34a_100000725409_100011215473 [0,0,0,0,0,0|2,0,0]=2 119 B13R0.147 C=CCCCCCCOCC(=O)CC 7a_200011216477_100000747405 [0,0,0,0,0,0|2,0,0]=2 120 B13R0.147 C=CCCCCCCOCC(=O)NC 34a_100000750040_100011215473 [0,0,0,0,0,0|2,0,0]=2 121 B13R0.147 C=CCCCCCCOCC(=O)NC 34a_200011216477_100000183359 [0,0,0,0,0,0|2,0,0]=2 122 B13R0.147 C=CCCCCCCOCC(=O)NC 7a_200011216477_100000183359 [0,0,0,0,0,0|2,0,0]=2 123 B13R0.147 C=CCCCCCCOCC(=O)OC 34a_200011216477_100000747449 [0,0,0,0,0,0|1,0,0]=1 124 B13R0.147 C=CCCCCCCOCC(=O)OC 7a_200011216477_100000747449 [0,0,0,0,0,0|1,0,0]=1 125 B13R0.147 C=CCCCCCCOCC(C)CC 34a_200011216477_100000748023 [0,0,0,0,0,0|3,0,1]=4 126 B13R0.147 C=CCCCCCCOCC(C)CC 7a_200011216477_100000748023 [0,0,0,0,0,0|3,0,1]=4 127 B13R0.147 C=CCCCCCCOCC(C)OC 34a_100000690652_100011215473 [0,0,0,0,0,0|2,0,1]=3 128 B13R0.147 C=CCCCCCCOCC(O)CC 34a_200011216477_100011218378 [0,0,0,0,0,0|2,0,2]=4 129 B13R0.147 C=CCCCCCCOCC(O)CC 7a_200011216477_100011218378 [0,0,0,0,0,0|2,0,2]=4 130 B13R0.147 C=CCCCCCCOC[C@@H](C)CC 34a_200011216477_100009816398 [0,0,0,0,0,0|3,0,1]=4 131 B13R0.147 C=CCCCCCCOC[C@@H](C)CC 7a_100009816381_100011215473 [0,0,0,0,0,0|3,0,1]=4 132 B13R0.147 C=CCCCCCCOC[C@@H](C)CC 7a_200011216477_100009816398 [0,0,0,0,0,0|3,0,1]=4 133 B13R0.147 C=CCCCCCCSCC(=C)C#N 62a_100011215473_100000694840 [0,0,0,0,0,0|4,0,0]=4 134 B13R0.147 C=CCCCCCCSCC(=O)CC 62a_100000747405_100011215473 [0,0,0,0,0,0|2,0,0]=2 135 B13R0.147 C=CCCCCCCSCC(=O)CC 62a_100011215473_100000747405 [0,0,0,0,0,0|2,0,0]=2 136 B13R0.147 C=CCCCCCCSCC(=O)NC 62a_100000183359_100011215473 [0,0,0,0,0,0|2,0,0]=2 137 B13R0.147 C=CCCCCCCSCC(=O)NC 62a_100011215473_100000183359 [0,0,0,0,0,0|2,0,0]=2 138 B13R0.147 C=CCCCCCCSCC(=O)OC 62a_100000747449_100011215473 [0,0,0,0,0,0|1,0,0]=1 139 B13R0.147 C=CCCCCCCSCC(=O)OC 62a_100011215473_100000747449 [0,0,0,0,0,0|1,0,0]=1 140 B13R0.147 C=CCCCCCCSCC(C)CC 62a_100000748023_100011215473 [0,0,0,0,0,0|3,0,1]=4 141 B13R0.147 C=CCCCCCCSCC(C)CC 62a_100011215473_100000748023 [0,0,0,0,0,0|3,0,1]=4 142 B13R0.147 C=CCCCCCCSCC(O)CC 62a_100011215473_100011218378 [0,0,0,0,0,0|2,0,2]=4 143 B13R0.147 C=CCCCCCCSCC(O)CC 62a_100011218378_100011215473 [0,0,0,0,0,0|2,0,2]=4 144 B13R0.147 C=CCCCCCCSC[C@@H](C)CC 62a_100009816398_100011215473 [0,0,0,0,0,0|3,0,1]=4 145 B13R0.147 C=CCCCCCCSC[C@@H](C)CC 62a_100011215473_100009816398 [0,0,0,0,0,0|3,0,1]=4 146 B13R0.147 C=CCCCCCNCCC(=O)NC 2230a_100000738227_100000700193 [0,0,0,0,0,0|2,0,0]=2 147 B13R0.147 C=CCCCCCNCCC(=O)NC 34a_100000738227_100000700193 [0,0,0,0,0,0|2,0,0]=2 148 B13R0.147 C=CCCCCCNCCC(C)CC 2230a_100020591266_100000700193 [0,0,0,0,0,0|3,0,1]=4 149 B13R0.147 C=CCCCCCOCCC(=NO)N 34a_100000749954_100000700193 [0,0,0,0,0,0|4,0,0]=4 150 B13R0.147 C=CCCCCCOCCC(=O)NC 34a_100000754576_100000700193 [0,0,0,0,0,0|2,0,0]=2 151 B13R0.147 C=CCCCCCOCCC(=O)NC 34a_100011216702_100012179268 [0,0,0,0,0,0|2,0,0]=2 152 B13R0.147 C=CCCCCCOCCC(=O)NC 7a_100011216702_100000737683 [0,0,0,0,0,0|2,0,0]=2 153 B13R0.147 C=CCCCCCOCCC(=O)OC 34a_100011216702_100000742370 [0,0,0,0,0,0|1,0,0]=1 154 B13R0.147 C=CCCCCCOCCC(=O)OC 7a_100011216702_100000204255 [0,0,0,0,0,0|1,0,0]=1 155 B13R0.147 C=CCCCCCOCCC(C)CC 7a_100011215188_100000700193 [0,0,0,0,0,0|3,0,1]=4 156 B13R0.147 C=CCCCCCOCCC(C)OC 7a_100000764861_100000700193 [0,0,0,0,0,0|2,0,1]=3 157 B13R0.147 C=CCCCCCSCCC(=O)NC 62a_100000700193_100000737683 [0,0,0,0,0,0|2,0,0]=2 158 B13R0.147 C=CCCCCCSCCC(=O)NC 62a_100000737683_100000700193 [0,0,0,0,0,0|2,0,0]=2 159 B13R0.147 C=CCCCCCSCCC(=O)OC 62a_100000204255_100000700193 [0,0,0,0,0,0|1,0,0]=1 160 B13R0.147 C=CCCCCCSCCC(=O)OC 62a_100000700193_100000204255 [0,0,0,0,0,0|1,0,0]=1 161 B13R0.147 C=CCCCCCSCOC(=O)OC 62a_100000700193_100000139417 [0,0,0,0,0,0|2,0,0]=2 162 B13R0.147 C=CCCCCNC/C=C/C(=O)OC 2230a_100000703577_100000742655 [0,0,0,0,0,0|1,0,2]=3 163 B13R0.147 C=CCCCCNC/C=C/C(=O)OC 34a_100000703577_100000742655 [0,0,0,0,0,0|1,0,2]=3 164 B13R0.147 C=CCCCCNCCCC(=O)NC 2230a_100000703577_100000741757 [0,0,0,0,0,0|2,0,0]=2 165 B13R0.147 C=CCCCCNCCCC(=O)NC 2230a_100000740002_100011215482 [0,0,0,0,0,0|2,0,0]=2 166 B13R0.147 C=CCCCCNCCCC(=O)NC 34a_100000703577_100000741757 [0,0,0,0,0,0|2,0,0]=2 167 B13R0.147 C=CCCCCNCCCC(=O)NC 34a_100000740002_100011215482 [0,0,0,0,0,0|2,0,0]=2 168 B13R0.147 C=CCCCCNCCCC(=O)OC 2230a_100000703577_100011218270 [0,0,0,0,0,0|1,0,0]=1 169 B13R0.147 C=CCCCCNCCCC(=O)OC 34a_100000703577_100000742333 [0,0,0,0,0,0|1,0,0]=1 170 B13R0.147 C=CCCCCNCCCN(C)CC 2230a_100000703577_100015186262 [0,0,0,0,0,0|4,0,0]=4 171 B13R0.147 C=CCCCCNCCNC(=O)C=C 2230a_114873766552_100011215482 [0,0,0,0,0,0|3,0,1]=4 172 B13R0.147 C=CCCCCNCCNC(=O)CC 34a_100132302217_100011215482 [0,0,0,0,0,0|3,0,0]=3 173 B13R0.147 C=CCCCCNCCNC(=O)NC 34a_100015205895_100011215482 [0,0,0,0,0,0|3,0,0]=3 174 B13R0.147 C=CCCCCNCCOC(=O)C=C 2230a_100000703577_100009813456 [0,0,0,0,0,0|3,0,1]=4 175 B13R0.147 C=CCCCCNCCOC(=O)C=C 34a_100000703577_100009813456 [0,0,0,0,0,0|3,0,1]=4 176 B13R0.147 C=CCCCCNCCOC(=O)NC 34a_100000703577_200011997002 [0,0,0,0,0,0|3,0,0]=3 177 B13R0.147 C=CCCCCOC/C=C/C(=O)OC 34a_100000766645_100000742655 [0,0,0,0,0,0|1,0,2]=3 178 B13R0.147 C=CCCCCOC/C=C/C(=O)OC 7a_100000766645_100000742655 [0,0,0,0,0,0|1,0,2]=3 179 B13R0.147 C=CCCCCOCCCC(=O)NC 34a_100000766645_100000741757 [0,0,0,0,0,0|2,0,0]=2 180 B13R0.147 C=CCCCCOCCCC(=O)NC 7a_100000766645_100000741757 [0,0,0,0,0,0|2,0,0]=2 181 B13R0.147 C=CCCCCOCCCC(=O)NN 34a_100000211488_100011215482 [0,0,0,0,0,0|3,0,0]=3 182 B13R0.147 C=CCCCCOCCCC(=O)OC 34a_100000766645_100000742333 [0,0,0,0,0,0|1,0,0]=1 183 B13R0.147 C=CCCCCOCCCC(=O)OC 7a_100000766645_100011218270 [0,0,0,0,0,0|1,0,0]=1 184 B13R0.147 C=CCCCCOCCCC(C)CC 7a_100011216074_100011215482 [0,0,0,0,0,0|3,0,1]=4 185 B13R0.147 C=CCCCCOCCCN(C)CC 7a_100000766645_100015186262 [0,0,0,0,0,0|4,0,0]=4 186 B13R0.147 C=CCCCCOCCNC(=O)C=C 34a_100011304386_100011215482 [0,0,0,0,0,0|3,0,1]=4 187 B13R0.147 C=CCCCCOCCNC(=O)CC 34a_200000158885_100011215482 [0,0,0,0,0,0|3,0,0]=3 188 B13R0.147 C=CCCCCOCCNC(=O)CC 7a_200000158885_100011215482 [0,0,0,0,0,0|3,0,0]=3 189 B13R0.147 C=CCCCCOCCNC(=O)OC 34a_100000757965_100011215482 [0,0,0,0,0,0|2,0,0]=2 190 B13R0.147 C=CCCCCOCCOC(=O)C=C 34a_100000766645_100009813456 [0,0,0,0,0,0|3,0,1]=4 191 B13R0.147 C=CCCCCOCCOC(=O)C=C 7a_100000766645_100009813456 [0,0,0,0,0,0|3,0,1]=4 192 B13R0.147 C=CCCCCOCCOC(=O)CC 7a_200000031056_100011215482 [0,0,0,0,0,0|3,0,0]=3 193 B13R0.147 C=CCCCCOCCOC(=O)NC 34a_100000766645_200011997002 [0,0,0,0,0,0|3,0,0]=3 194 B13R0.147 C=CCCCCOCCOC(=O)NC 7a_100000766645_200011997002 [0,0,0,0,0,0|3,0,0]=3 195 B13R0.147 C=CCCCCOCCOC(=O)OC 34a_100010262106_100011215482 [0,0,0,0,0,0|2,0,0]=2 196 B13R0.147 C=CCCCCSC/C=C/C(=O)OC 62a_100000742655_100011215482 [0,0,0,0,0,0|1,0,2]=3 197 B13R0.147 C=CCCCCSC/C=C/C(=O)OC 62a_100011215482_100000742655 [0,0,0,0,0,0|1,0,2]=3 198 B13R0.147 C=CCCCCSCCCC(=O)NC 62a_100000741757_100011215482 [0,0,0,0,0,0|2,0,0]=2 199 B13R0.147 C=CCCCCSCCCC(=O)NC 62a_100011215482_100000741757 [0,0,0,0,0,0|2,0,0]=2 200 B13R0.147 C=CCCCCSCCCC(=O)OC 62a_100011215482_100011218270 [0,0,0,0,0,0|1,0,0]=1 201 B13R0.147 C=CCCCCSCCCC(=O)OC 62a_100011218270_100011215482 [0,0,0,0,0,0|1,0,0]=1 202 B13R0.147 C=CCCCCSCCCN(C)CC 62a_100011215482_100015186262 [0,0,0,0,0,0|4,0,0]=4 203 B13R0.147 C=CCCCCSCCOC(=O)C=C 62a_100009813456_100011215482 [0,0,0,0,0,0|3,0,1]=4 204 B13R0.147 C=CCCCCSCCOC(=O)C=C 62a_100011215482_100009813456 [0,0,0,0,0,0|3,0,1]=4 205 B13R0.147 C=CCCCCSCCOC(=O)NC 62a_100011215482_200011997002 [0,0,0,0,0,0|3,0,0]=3 206 B13R0.147 C=CCCCCSCCOC(=O)NC 62a_200011997002_100011215482 [0,0,0,0,0,0|3,0,0]=3 207 B13R0.147 C=CCCCNCCCCC(=O)OC 2230a_100000700776_100000204269 [0,0,0,0,0,0|1,0,0]=1 208 B13R0.147 C=CCCCNCCCCC(=O)OC 34a_100000700776_100000204269 [0,0,0,0,0,0|1,0,0]=1 209 B13R0.147 C=CCCCNCCOCC(=O)OC 2230a_100000700776_100000090808 [0,0,0,0,0,0|2,0,0]=2 210 B13R0.147 C=CCCCNCCOCC(=O)OC 34a_100000700776_100000090808 [0,0,0,0,0,0|2,0,0]=2 211 B13R0.147 C=CCCCOCCCCC(=O)OC 34a_100000059025_100000757094 [0,0,0,0,0,0|1,0,0]=1 212 B13R0.147 C=CCCCOCCCCC(=O)OC 34a_100000758997_100000204269 [0,0,0,0,0,0|1,0,0]=1 213 B13R0.147 C=CCCCOCCCCC(=O)OC 7a_100000059025_100000757094 [0,0,0,0,0,0|1,0,0]=1 214 B13R0.147 C=CCCCOCCCCC(=O)OC 7a_100000758997_100000204269 [0,0,0,0,0,0|1,0,0]=1 215 B13R0.147 C=CCCCOCCOCC(=O)OC 34a_100000758997_100000090808 [0,0,0,0,0,0|2,0,0]=2 216 B13R0.147 C=CCCCOCCOCC(=O)OC 7a_100000758997_100000090808 [0,0,0,0,0,0|2,0,0]=2 217 B13R0.147 C=CCCCSCCCCC(=O)OC 62a_100000204269_100000757094 [0,0,0,0,0,0|1,0,0]=1 218 B13R0.147 C=CCCCSCCCCC(=O)OC 62a_100011713584_100000204269 [0,0,0,0,0,0|1,0,0]=1 219 B13R0.147 C=CCCCSCCOCC(=O)OC 62a_100000090808_100000757094 [0,0,0,0,0,0|2,0,0]=2 220 B13R0.147 C=CCCCSCCOCC(=O)OC 62a_100011713584_100000090808 [0,0,0,0,0,0|2,0,0]=2 221 B13R0.147 C=CCCNCCCCCC(=O)OC 2230a_100015191253_100009816466 [0,0,0,0,0,0|1,0,0]=1 222 B13R0.147 C=CCCOCCCCCC(=O)OC 34a_100000074720_100000754431 [0,0,0,0,0,0|1,0,0]=1 223 B13R0.147 C=CCCOCCCCCC(=O)OC 34a_100011205117_100009816466 [0,0,0,0,0,0|1,0,0]=1 224 B13R0.147 C=CCCOCCCCCC(=O)OC 7a_100000074720_100000754431 [0,0,0,0,0,0|1,0,0]=1 225 B13R0.147 C=CCCOCCCCCC(C)CC 7a_200000035636_100000754431 [0,0,0,0,0,0|3,0,1]=4 226 B13R0.147 C=CCCOCCCCNC(=O)C=C 34a_100014118770_100000754431 [0,0,0,0,0,0|3,0,1]=4 227 B13R0.147 C=CCCSCCCCCC(=O)OC 62a_100000754431_100009816466 [0,0,0,0,0,0|1,0,0]=1 228 B13R0.147 C=CCCSCCCCCC(=O)OC 62a_100009816466_100000754431 [0,0,0,0,0,0|1,0,0]=1 229 B13R0.147 C=CCNCCCCCCC(=O)OC 2230a_100020586998_100009815986 [0,0,0,0,0,0|1,0,0]=1 230 B13R0.147 C=CCOCCCCCCC(=O)OC 34a_100009863599_100015514636 [0,0,0,0,0,0|1,0,0]=1 231 B13R0.147 C=CCOCCCCCCC(=O)OC 34a_200000210373_100009815986 [0,0,0,0,0,0|1,0,0]=1 232 B13R0.147 C=CCOCCCCCCC(=O)OC 7a_100009863599_100015514636 [0,0,0,0,0,0|1,0,0]=1 233 B13R0.147 C=CCOCCCCCOC(=O)C=C 7a_200011023508_100015514636 [0,0,0,0,0,0|3,0,1]=4 234 B13R0.147 C=CCOCCOC/C=C/C(=O)OC 34a_100000037705_100000742655 [0,0,0,0,0,0|2,0,2]=4 235 B13R0.147 C=CCOCCOC/C=C/C(=O)OC 7a_100000037705_100000742655 [0,0,0,0,0,0|2,0,2]=4 236 B13R0.147 C=CCOCCOCCCC(=O)NC 34a_100000037705_100000741757 [0,0,0,0,0,0|3,0,0]=3 237 B13R0.147 C=CCOCCOCCCC(=O)NC 7a_100000037705_100000741757 [0,0,0,0,0,0|3,0,0]=3 238 B13R0.147 C=CCOCCOCCCC(=O)OC 34a_100000037705_100000742333 [0,0,0,0,0,0|2,0,0]=2 239 B13R0.147 C=CCOCCOCCCC(=O)OC 7a_100000037705_100011218270 [0,0,0,0,0,0|2,0,0]=2 240 B13R0.147 C=CCOCCOCCOC(=O)NC 34a_100000037705_200011997002 [0,0,0,0,0,0|4,0,0]=4 241 B13R0.147 C=CCOCCOCCOC(=O)NC 7a_100000037705_200011997002 [0,0,0,0,0,0|4,0,0]=4 242 B13R0.147 C=CCSCCCCCCC(=O)OC 62a_100000210623_100009815986 [0,0,0,0,0,0|1,0,0]=1 243 B13R0.147 C=CCSCCCCCCC(=O)OC 62a_100009815986_100000210623 [0,0,0,0,0,0|1,0,0]=1 244 B13R0.147 C=COCCCCOCCC(=O)NC 34a_100000031558_100012179268 [0,0,0,0,0,0|3,0,0]=3 245 B13R0.147 C=COCCCCOCCC(=O)NC 7a_100000031558_100000737683 [0,0,0,0,0,0|3,0,0]=3 246 B13R0.147 C=COCCCCOCCC(=O)OC 34a_100000031558_100000742370 [0,0,0,0,0,0|2,0,0]=2 247 B13R0.147 C=COCCCCOCCC(=O)OC 7a_100000031558_100000204255 [0,0,0,0,0,0|2,0,0]=2 248 B13R0.147 C=COCCCNC/C=C/C(=O)OC 2230a_100000210767_100000742655 [0,0,0,0,0,0|2,0,2]=4 249 B13R0.147 C=COCCCNC/C=C/C(=O)OC 34a_100000210767_100000742655 [0,0,0,0,0,0|2,0,2]=4 250 B13R0.147 C=COCCCNCCCC(=O)NC 2230a_100000210767_100000741757 [0,0,0,0,0,0|3,0,0]=3 251 B13R0.147 C=COCCCNCCCC(=O)NC 34a_100000210767_100000741757 [0,0,0,0,0,0|3,0,0]=3 252 B13R0.147 C=COCCCNCCCC(=O)OC 2230a_100000210767_100011218270 [0,0,0,0,0,0|2,0,0]=2 253 B13R0.147 C=COCCCNCCCC(=O)OC 34a_100000210767_100000742333 [0,0,0,0,0,0|2,0,0]=2 254 B13R0.147 C=COCCCNCCOC(=O)NC 34a_100000210767_200011997002 [0,0,0,0,0,0|4,0,0]=4 255 B13R0.147 C=COCCOCCCCC(=O)OC 34a_100000033082_100000204269 [0,0,0,0,0,0|2,0,0]=2 256 B13R0.147 C=COCCOCCCCC(=O)OC 34a_100000059025_100000039644 [0,0,0,0,0,0|2,0,0]=2 257 B13R0.147 C=COCCOCCCCC(=O)OC 7a_100000059025_100000039644 [0,0,0,0,0,0|2,0,0]=2 258 B13R0.147 C=COCCOCCOCC(=O)CC 7a_100000039918_100000747405 [0,0,0,0,0,0|4,0,0]=4 259 B13R0.147 C=COCCOCCOCC(=O)NC 34a_100000039918_100000183359 [0,0,0,0,0,0|4,0,0]=4 260 B13R0.147 C=COCCOCCOCC(=O)NC 7a_100000039918_100000183359 [0,0,0,0,0,0|4,0,0]=4 261 B13R0.147 C=COCCOCCOCC(=O)OC 34a_100000033082_100000090808 [0,0,0,0,0,0|3,0,0]=3 262 B13R0.147 C=COCCOCCOCC(=O)OC 34a_100000039918_100000747449 [0,0,0,0,0,0|3,0,0]=3 263 B13R0.147 C=COCCOCCOCC(=O)OC 7a_100000039918_100000747449 [0,0,0,0,0,0|3,0,0]=3 264 B13R0.147 C=COCCSCCCCC(=O)OC 62a_100000039644_100000204269 [0,0,0,0,0,0|2,0,0]=2 265 B13R0.147 C=COCCSCCCCC(=O)OC 62a_100000204269_100000039644 [0,0,0,0,0,0|2,0,0]=2 266 B13R0.147 C=COCCSCCOCC(=O)OC 62a_100000039644_100000090808 [0,0,0,0,0,0|3,0,0]=3 267 B13R0.147 C=COCCSCCOCC(=O)OC 62a_100000090808_100000039644 [0,0,0,0,0,0|3,0,0]=3 268 B13R0.147 CC#CCCCCCCCC(=O)CC 1458a_100000066323_100000210202 [0,0,0,0,0,0|1,0,3]=4 269 B13R0.147 CC#CCCCCCCCC(=O)NC 11a_106832991635_100000066323 [0,0,0,0,0,0|1,0,3]=4 270 B13R0.147 CC#CCCCCCCCC(=O)NC 1626a_100102657272_100000066323 [0,0,0,0,0,0|1,0,3]=4 271 B13R0.147 CC#CCCCCCCCC(=O)NC 240690a_100102657272_100000066323 [0,0,0,0,0,0|1,0,3]=4 272 B13R0.147 CC#CCCCCCCCC(=O)NC 527a_100102657272_100000066323 [0,0,0,0,0,0|1,0,3]=4 273 B13R0.147 CC#CCCOCCCCC(=O)OC 34a_100000750427_100000204269 [0,0,0,0,0,0|1,0,3]=4 274 B13R0.147 CC#CCNCCCCCC(=O)OC 2230a_100000685387_100009816466 [0,0,0,0,0,0|1,0,3]=4 275 B13R0.147 CC#CCNCCCCCC(=O)OC 34a_100000685387_100009816466 [0,0,0,0,0,0|1,0,3]=4 276 B13R0.147 CC#CCOCCCCCC(=O)OC 34a_100000074720_100000748600 [0,0,0,0,0,0|1,0,3]=4 277 B13R0.147 CC#CCOCCCCCC(=O)OC 34a_100000761923_100009816466 [0,0,0,0,0,0|1,0,3]=4 278 B13R0.147 CC#CCOCCCCCC(=O)OC 7a_100000074720_100000748600 [0,0,0,0,0,0|1,0,3]=4 279 B13R0.147 CC#CCSCCCCCC(=O)OC 62a_100000748600_100009816466 [0,0,0,0,0,0|1,0,3]=4 280 B13R0.147 CC#CCSCCCCCC(=O)OC 62a_100009816466_100000748600 [0,0,0,0,0,0|1,0,3]=4 281 B13R0.147 CC=C=CCCOCCCC(=O)OC 34a_100011020354_100000742333 [0,0,0,0,0,0|1,0,3]=4 282 B13R0.147 CC=CCCCOCCCC(=O)NC 34a_100020645299_100000741757 [0,0,0,0,0,0|2,0,2]=4 283 B13R0.147 CC=CCCCOCCCC(=O)OC 34a_100020645299_100000742333 [0,0,0,0,0,0|1,0,2]=3 284 B13R0.147 CC=CCOCCCCCC(=O)OC 34a_100000074720_100000070051 [0,0,0,0,0,0|1,0,2]=3 285 B13R0.147 CC=CCOCCCCCC(=O)OC 7a_100000074720_100000070051 [0,0,0,0,0,0|1,0,2]=3 286 B13R0.147 CC=CCSCCCCCC(=O)OC 62a_100000070051_100009816466 [0,0,0,0,0,0|1,0,2]=3 287 B13R0.147 CC=CCSCCCCCC(=O)OC 62a_100009816466_100000070051 [0,0,0,0,0,0|1,0,2]=3 288 B13R0.147 CCC(=O)CCCCCCCCCF 1458a_200009909015_100000210202 [0,0,0,0,0,0|2,0,1]=3 289 B13R0.147 CCC(=O)CCCCCCCCCO 1458a_100000210414_100009813782 [0,0,0,0,0,0|2,0,1]=3 290 B13R0.147 CCC(=O)COCCCCCCCBr 7a_100000760002_100000747405 [0,0,0,0,0,0|3,0,1]=4 291 B13R0.147 CCC(=O)COCCCCCCCO 34a_100000725409_100000760002 [0,0,0,0,0,0|3,0,1]=4 292 B13R0.147 CCC(=O)COCCCCCCOC 34a_100000725409_100011998445 [0,0,0,0,0,0|3,0,1]=4 293 B13R0.147 CCC(=O)COCCCCCCOC 7a_200012092642_100000747405 [0,0,0,0,0,0|3,0,1]=4 294 B13R0.147 CCC(=O)CSCCCCCCC#N 62a_100000747405_100009813337 [0,0,0,0,0,0|3,0,1]=4 295 B13R0.147 CCC(=O)CSCCCCCCC#N 62a_100009813337_100000747405 [0,0,0,0,0,0|3,0,1]=4 296 B13R0.147 CCC(=O)CSCCCCCCCO 62a_100000747405_100000760002 [0,0,0,0,0,0|3,0,1]=4 297 B13R0.147 CCC(=O)CSCCCCCCCO 62a_100000760002_100000747405 [0,0,0,0,0,0|3,0,1]=4 298 B13R0.147 CCC(=O)CSCCCCCCOC 62a_100000747405_100011998445 [0,0,0,0,0,0|3,0,1]=4 299 B13R0.147 CCC(=O)CSCCCCCCOC 62a_100011998445_100000747405 [0,0,0,0,0,0|3,0,1]=4 300 B13R0.147 CCC(=O)NCCCCCCCCO 240690a_102515433106_100000210414 [0,0,0,0,0,0|3,0,1]=4 301 B13R0.147 CCC(=O)NCCOCCCCC=O 7a_200000158885_100000139335 [0,0,0,0,0,0|4,0,0]=4 302 B13R0.147 CCC(=O)OCCOCCCCC=O 7a_200000031056_100000139335 [0,0,0,0,0,0|4,0,0]=4 303 B13R0.147 CCCCCCCCCCC(=O)CC 1458a_100000210375_100000210202 [0,0,0,0,0,0|1,0,2]=3 304 B13R0.147 CCCCCCCCCCC(=O)CC 1458a_100000210414_100000210319 [0,0,0,0,0,0|1,0,2]=3 305 B13R0.147 CCCCCCCCCCC(=O)CF 1458a_100000210375_100015361967 [0,0,0,0,0,0|2,0,2]=4 306 B13R0.147 CCCCCCCCCCC(=O)CO 1458a_100000210174_100000210319 [0,0,0,0,0,0|2,0,2]=4 307 B13R0.147 CCCCCCCCCCC(=O)NC 11a_106832991635_100000210375 [0,0,0,0,0,0|1,0,2]=3 308 B13R0.147 CCCCCCCCCCC(=O)NC 1626a_100102657272_100000210375 [0,0,0,0,0,0|1,0,2]=3 309 B13R0.147 CCCCCCCCCCC(=O)NC 240690a_100102657272_100000210375 [0,0,0,0,0,0|1,0,2]=3 310 B13R0.147 CCCCCCCCCCC(C)OC 34a_100011215000_200000210301 [0,0,0,0,0,0|1,0,3]=4 311 B13R0.147 CCCCCCCCCCC(C)OC 7a_100011215000_200000210301 [0,0,0,0,0,0|1,0,3]=4 312 B13R0.147 CCCCCCCCCCC(C)O[13CH3] 34a_100011215000_200025704644 [0,0,0,0,0,0|1,0,3]=4 313 B13R0.147 CCCCCCCCCCC(C)O[13CH3] 7a_100011215000_200025704644 [0,0,0,0,0,0|1,0,3]=4 314 B13R0.147 CCCCCCCCCNC(=O)CC 11a_100000212291_100000210414 [0,0,0,0,0,0|2,0,2]=4 315 B13R0.147 CCCCCCCCCNC(=O)CC 1626a_100000212291_100000210414 [0,0,0,0,0,0|2,0,2]=4 316 B13R0.147 CCCCCCCCCNC(=O)CC 240690a_100000212291_100000210414 [0,0,0,0,0,0|2,0,2]=4 317 B13R0.147 CCCCCCCCCNC(=O)CC 527a_100000212291_100000210414 [0,0,0,0,0,0|2,0,2]=4 318 B13R0.147 CCCCCCCCCNC(=O)NC 2708a_100000212291_106832991635 [0,0,0,0,0,0|2,0,2]=4 319 B13R0.147 CCCCCCCCCNC(=O)NC 2708a_100102657272_100000212291 [0,0,0,0,0,0|2,0,2]=4 320 B13R0.147 CCCCCCCCCNC(=O)NC 273464a_100000212291_100102657272 [0,0,0,0,0,0|2,0,2]=4 321 B13R0.147 CCCCCCCCCNC(=O)NC 273464a_100102657272_100000212291 [0,0,0,0,0,0|2,0,2]=4 322 B13R0.147 CCCCCCCCCNC(=O)NC 512a_100000212291_100102657272 [0,0,0,0,0,0|2,0,2]=4 323 B13R0.147 CCCCCCCCCNC(=O)NC 512a_106832991638_100000212291 [0,0,0,0,0,0|2,0,2]=4 324 B13R0.147 CCCCCCCCNCC(=O)NC 2230a_100000229939_100000183359 [0,0,0,0,0,0|2,0,2]=4 325 B13R0.147 CCCCCCCCNCC(=O)NC 2230a_100000693194_100000210759 [0,0,0,0,0,0|2,0,2]=4 326 B13R0.147 CCCCCCCCNCC(=O)NC 34a_100000229939_100000183359 [0,0,0,0,0,0|2,0,2]=4 327 B13R0.147 CCCCCCCCNCC(=O)OC 2230a_100000229939_100000747449 [0,0,0,0,0,0|1,0,2]=3 328 B13R0.147 CCCCCCCCNCC(=O)OC 34a_100000229939_100000747449 [0,0,0,0,0,0|1,0,2]=3 329 B13R0.147 CCCCCCCCOCC(=O)CC 1458a_100000759886_100000210202 [0,0,0,0,0,0|2,0,2]=4 330 B13R0.147 CCCCCCCCOCC(=O)CC 34a_100000725409_100000210759 [0,0,0,0,0,0|2,0,2]=4 331 B13R0.147 CCCCCCCCOCC(=O)CC 7a_100000210232_100000747405 [0,0,0,0,0,0|2,0,2]=4 332 B13R0.147 CCCCCCCCOCC(=O)NC 11a_106832991635_100000759886 [0,0,0,0,0,0|2,0,2]=4 333 B13R0.147 CCCCCCCCOCC(=O)NC 1626a_100102657272_100000759886 [0,0,0,0,0,0|2,0,2]=4 334 B13R0.147 CCCCCCCCOCC(=O)NC 240690a_100102657272_100000759886 [0,0,0,0,0,0|2,0,2]=4 335 B13R0.147 CCCCCCCCOCC(=O)NC 34a_100000210232_100000183359 [0,0,0,0,0,0|2,0,2]=4 336 B13R0.147 CCCCCCCCOCC(=O)NC 34a_100000750040_100000210759 [0,0,0,0,0,0|2,0,2]=4 337 B13R0.147 CCCCCCCCOCC(=O)NC 527a_100102657272_100000759886 [0,0,0,0,0,0|2,0,2]=4 338 B13R0.147 CCCCCCCCOCC(=O)NC 7a_100000210232_100000183359 [0,0,0,0,0,0|2,0,2]=4 339 B13R0.147 CCCCCCCCOCC(=O)OC 34a_100000210232_100000747449 [0,0,0,0,0,0|1,0,2]=3 340 B13R0.147 CCCCCCCCOCC(=O)OC 7a_100000210232_100000747449 [0,0,0,0,0,0|1,0,2]=3 341 B13R0.147 CCCCCCCCSCC(=O)CC 62a_100000210759_100000747405 [0,0,0,0,0,0|2,0,2]=4 342 B13R0.147 CCCCCCCCSCC(=O)CC 62a_100000747405_100000210317 [0,0,0,0,0,0|2,0,2]=4 343 B13R0.147 CCCCCCCCSCC(=O)NC 62a_100000183359_100000210317 [0,0,0,0,0,0|2,0,2]=4 344 B13R0.147 CCCCCCCCSCC(=O)NC 62a_100000210759_100000183359 [0,0,0,0,0,0|2,0,2]=4 345 B13R0.147 CCCCCCCCSCC(=O)OC 62a_100000210759_100000747449 [0,0,0,0,0,0|1,0,2]=3 346 B13R0.147 CCCCCCCCSCC(=O)OC 62a_100000747449_100000210317 [0,0,0,0,0,0|1,0,2]=3 347 B13R0.147 CCCCCCCNCCC(=O)NC 2230a_100000229938_100000737683 [0,0,0,0,0,0|2,0,2]=4 348 B13R0.147 CCCCCCCNCCC(=O)NC 2230a_100000738227_100000210681 [0,0,0,0,0,0|2,0,2]=4 349 B13R0.147 CCCCCCCNCCC(=O)NC 34a_100000738227_100000210614 [0,0,0,0,0,0|2,0,2]=4 350 B13R0.147 CCCCCCCNCCC(=O)OC 2230a_100000229938_100000204255 [0,0,0,0,0,0|1,0,2]=3 351 B13R0.147 CCCCCCCOCCC(=O)NC 34a_100000210272_100012179268 [0,0,0,0,0,0|2,0,2]=4 352 B13R0.147 CCCCCCCOCCC(=O)NC 34a_100000754576_100000210614 [0,0,0,0,0,0|2,0,2]=4 353 B13R0.147 CCCCCCCOCCC(=O)NC 7a_100000210272_100000737683 [0,0,0,0,0,0|2,0,2]=4 354 B13R0.147 CCCCCCCOCCC(=O)OC 34a_100000210272_100000742370 [0,0,0,0,0,0|1,0,2]=3 355 B13R0.147 CCCCCCCOCCC(=O)OC 7a_100000210272_100000204255 [0,0,0,0,0,0|1,0,2]=3 356 B13R0.147 CCCCCCCSCCC(=O)NC 62a_100000210614_100000737683 [0,0,0,0,0,0|2,0,2]=4 357 B13R0.147 CCCCCCCSCCC(=O)NC 62a_100000737683_100000210316 [0,0,0,0,0,0|2,0,2]=4 358 B13R0.147 CCCCCCCSCCC(=O)OC 62a_100000204255_100000210316 [0,0,0,0,0,0|1,0,2]=3 359 B13R0.147 CCCCCCCSCCC(=O)OC 62a_100000210614_100000204255 [0,0,0,0,0,0|1,0,2]=3 360 B13R0.147 CCCCCCCSCOC(=O)OC 62a_100000210614_100000139417 [0,0,0,0,0,0|2,0,2]=4 361 B13R0.147 CCCCCCNCCCC(=O)NC 2230a_100000210581_100000741757 [0,0,0,0,0,0|2,0,2]=4 362 B13R0.147 CCCCCCNCCCC(=O)NC 2230a_100000740002_100000210314 [0,0,0,0,0,0|2,0,2]=4 363 B13R0.147 CCCCCCNCCCC(=O)NC 34a_100000740002_100000210314 [0,0,0,0,0,0|2,0,2]=4 364 B13R0.147 CCCCCCNCCCC(=O)OC 2230a_100000210581_100011218270 [0,0,0,0,0,0|1,0,2]=3 365 B13R0.147 CCCCCCOCCCC(=O)NC 34a_100000210259_100000741757 [0,0,0,0,0,0|2,0,2]=4 366 B13R0.147 CCCCCCOCCCC(=O)NC 7a_100000210259_100000741757 [0,0,0,0,0,0|2,0,2]=4 367 B13R0.147 CCCCCCOCCCC(=O)OC 34a_100000210259_100000742333 [0,0,0,0,0,0|1,0,2]=3 368 B13R0.147 CCCCCCOCCCC(=O)OC 7a_100000210259_100011218270 [0,0,0,0,0,0|1,0,2]=3 369 B13R0.147 CCCCCCOCCNC(=O)OC 34a_100000757965_100000210314 [0,0,0,0,0,0|2,0,2]=4 370 B13R0.147 CCCCCCOCCOC(=O)OC 34a_100010262106_100000210314 [0,0,0,0,0,0|2,0,2]=4 371 B13R0.147 CCCCCCSCCCC(=O)NC 62a_100000210314_100000741757 [0,0,0,0,0,0|2,0,2]=4 372 B13R0.147 CCCCCCSCCCC(=O)NC 62a_100000741757_100000210757 [0,0,0,0,0,0|2,0,2]=4 373 B13R0.147 CCCCCCSCCCC(=O)OC 62a_100000210314_100011218270 [0,0,0,0,0,0|1,0,2]=3 374 B13R0.147 CCCCCCSCCCC(=O)OC 62a_100011218270_100000210757 [0,0,0,0,0,0|1,0,2]=3 375 B13R0.147 CCCCCNCCCCC(=O)OC 2230a_100000209983_100000204269 [0,0,0,0,0,0|1,0,2]=3 376 B13R0.147 CCCCCNCCOCC(=O)OC 2230a_100000209983_100000090808 [0,0,0,0,0,0|2,0,2]=4 377 B13R0.147 CCCCCNCCOCC(=O)OC 34a_100000224656_100000747449 [0,0,0,0,0,0|2,0,2]=4 378 B13R0.147 CCCCCOCCCCC(=O)OC 34a_100000059025_100000718602 [0,0,0,0,0,0|1,0,2]=3 379 B13R0.147 CCCCCOCCCCC(=O)OC 34a_100000210253_100000204269 [0,0,0,0,0,0|1,0,2]=3 380 B13R0.147 CCCCCOCCCCC(=O)OC 7a_100000059025_100000210326 [0,0,0,0,0,0|1,0,2]=3 381 B13R0.147 CCCCCOCCCCC(=O)OC 7a_100000210253_100000204269 [0,0,0,0,0,0|1,0,2]=3 382 B13R0.147 CCCCCOCCOCC(=O)OC 34a_100000210253_100000090808 [0,0,0,0,0,0|2,0,2]=4 383 B13R0.147 CCCCCOCCOCC(=O)OC 34a_100011215259_100000747449 [0,0,0,0,0,0|2,0,2]=4 384 B13R0.147 CCCCCOCCOCC(=O)OC 7a_100000210253_100000090808 [0,0,0,0,0,0|2,0,2]=4 385 B13R0.147 CCCCCOCCOCC(=O)OC 7a_100011215259_100000747449 [0,0,0,0,0,0|2,0,2]=4 386 B13R0.147 CCCCCSCCCCC(=O)OC 62a_100000204269_100000210326 [0,0,0,0,0,0|1,0,2]=3 387 B13R0.147 CCCCCSCCCCC(=O)OC 62a_100000210326_100000204269 [0,0,0,0,0,0|1,0,2]=3 388 B13R0.147 CCCCCSCCOCC(=O)OC 62a_100000090808_100000210326 [0,0,0,0,0,0|2,0,2]=4 389 B13R0.147 CCCCCSCCOCC(=O)OC 62a_100000210326_100000090808 [0,0,0,0,0,0|2,0,2]=4 390 B13R0.147 CCCCNCCCCCC(=O)OC 2230a_100000102301_100009816466 [0,0,0,0,0,0|1,0,2]=3 391 B13R0.147 CCCCNCCCCCC(=O)OC 7a_106832991798_100009816466 [0,0,0,0,0,0|1,0,2]=3 392 B13R0.147 CCCCOCCCCCC(=O)OC 34a_100000074720_100000210210 [0,0,0,0,0,0|1,0,2]=3 393 B13R0.147 CCCCOCCCCCC(=O)OC 34a_100000210227_100009816466 [0,0,0,0,0,0|1,0,2]=3 394 B13R0.147 CCCCOCCCCCC(=O)OC 7a_100000074720_100000210211 [0,0,0,0,0,0|1,0,2]=3 395 B13R0.147 CCCCOCCCCCC(=O)OC 7a_100000210227_100009816466 [0,0,0,0,0,0|1,0,2]=3 396 B13R0.147 CCCCOCCCNCC(=O)OC 2230a_200000211371_100000747449 [0,0,0,0,0,0|2,0,2]=4 397 B13R0.147 CCCCOCCCNCC(=O)OC 34a_200000211371_100000747449 [0,0,0,0,0,0|2,0,2]=4 398 B13R0.147 CCCCOCCCOCC(=O)OC 34a_200011215613_100000747449 [0,0,0,0,0,0|2,0,2]=4 399 B13R0.147 CCCCOCCCOCC(=O)OC 7a_200011215613_100000747449 [0,0,0,0,0,0|2,0,2]=4 400 B13R0.147 CCCCOCCOCCC(=O)OC 34a_100000210238_100000742370 [0,0,0,0,0,0|2,0,2]=4 401 B13R0.147 CCCCOCCOCCC(=O)OC 7a_100000210238_100000204255 [0,0,0,0,0,0|2,0,2]=4 402 B13R0.147 CCCCOCCSCCC(=O)OC 62a_100000204255_100000743108 [0,0,0,0,0,0|2,0,2]=4 403 B13R0.147 CCCCOCCSCCC(=O)OC 62a_100000743108_100000204255 [0,0,0,0,0,0|2,0,2]=4 404 B13R0.147 CCCCOCSCCCC(=O)OC 62a_100011218270_100011995733 [0,0,0,0,0,0|2,0,2]=4 405 B13R0.147 CCCCOCSCCCC(=O)OC 62a_100011995733_100011218270 [0,0,0,0,0,0|2,0,2]=4 406 B13R0.147 CCCCSCCCCCC(=O)OC 62a_100000210211_100009816466 [0,0,0,0,0,0|1,0,2]=3 407 B13R0.147 CCCCSCCCCCC(=O)OC 62a_100009816466_100000210210 [0,0,0,0,0,0|1,0,2]=3 408 B13R0.147 CCCCSCCNCCC(=O)OC 2230a_100025743550_100000204255 [0,0,0,0,0,0|2,0,2]=4 409 B13R0.147 CCCCSCCOCCC(=O)OC 34a_200000230436_100000742370 [0,0,0,0,0,0|2,0,2]=4 410 B13R0.147 CCCCSCCOCCC(=O)OC 7a_200000230436_100000204255 [0,0,0,0,0,0|2,0,2]=4 411 B13R0.147 CCCOCCCCCCC(=O)OC 34a_100000210258_100009815986 [0,0,0,0,0,0|1,0,2]=3 412 B13R0.147 CCCOCCCCCCC(=O)OC 34a_100009863599_100000210303 [0,0,0,0,0,0|1,0,2]=3 413 B13R0.147 CCCOCCCCCCC(=O)OC 7a_100009863599_100000210303 [0,0,0,0,0,0|1,0,2]=3 414 B13R0.147 CCCOCCCNCCC(=O)OC 2230a_100011217757_100000204255 [0,0,0,0,0,0|2,0,2]=4 415 B13R0.147 CCCOCCCNCCC(=O)OC 34a_100011217757_100000742370 [0,0,0,0,0,0|2,0,2]=4 416 B13R0.147 CCCOCCNCCCC(=O)OC 2230a_100161115042_100011218270 [0,0,0,0,0,0|2,0,2]=4 417 B13R0.147 CCCOCCNCCCC(=O)OC 34a_100161115042_100000742333 [0,0,0,0,0,0|2,0,2]=4 418 B13R0.147 CCCOCCOCCCC(=O)OC 34a_100000752267_100000742333 [0,0,0,0,0,0|2,0,2]=4 419 B13R0.147 CCCOCCOCCCC(=O)OC 7a_100000752267_100011218270 [0,0,0,0,0,0|2,0,2]=4 420 B13R0.147 CCCOCCSCCCC(=O)OC 62a_100011215938_100011218270 [0,0,0,0,0,0|2,0,2]=4 421 B13R0.147 CCCOCCSCCCC(=O)OC 62a_100011218270_100011215938 [0,0,0,0,0,0|2,0,2]=4 422 B13R0.147 CCCSCCCCCCC(=O)OC 62a_100000210303_100009815986 [0,0,0,0,0,0|1,0,2]=3 423 B13R0.147 CCCSCCCCCCC(=O)OC 62a_100009815986_100000210303 [0,0,0,0,0,0|1,0,2]=3 424 B13R0.147 CCCSCCNCCCC(=O)OC 2230a_100020603323_100011218270 [0,0,0,0,0,0|2,0,2]=4 425 B13R0.147 CCCSCCOCCCC(=O)OC 34a_200000230433_100000742333 [0,0,0,0,0,0|2,0,2]=4 426 B13R0.147 CCCSCCOCCCC(=O)OC 7a_200000230433_100011218270 [0,0,0,0,0,0|2,0,2]=4 427 B13R0.147 CCNCCCCCCCC(=O)OC 2230a_100015525214_100010004213 [0,0,0,0,0,0|1,0,2]=3 428 B13R0.147 CCOCCCCCCCC(=O)OC 34a_100011022521_100000210202 [0,0,0,0,0,0|1,0,2]=3 429 B13R0.147 CCOCCCCCCCC(=O)OC 34a_100121572206_100010004213 [0,0,0,0,0,0|1,0,2]=3 430 B13R0.147 CCOCCCCCCCC(=O)OC 7a_100011022521_100000210202 [0,0,0,0,0,0|1,0,2]=3 431 B13R0.147 CCOCCCNCCCC(=O)OC 2230a_100000210961_100011218270 [0,0,0,0,0,0|2,0,2]=4 432 B13R0.147 CCOCCCNCCCC(=O)OC 34a_100000210961_100000742333 [0,0,0,0,0,0|2,0,2]=4 433 B13R0.147 CCOCCCOCCCC(=O)OC 34a_100000757476_100000742333 [0,0,0,0,0,0|2,0,2]=4 434 B13R0.147 CCOCCCOCCCC(=O)OC 7a_100000757476_100011218270 [0,0,0,0,0,0|2,0,2]=4 435 B13R0.147 CCOCCCSCCCC(=O)OC 62a_100011218270_100012232248 [0,0,0,0,0,0|2,0,2]=4 436 B13R0.147 CCOCCCSCCCC(=O)OC 62a_100012232248_100011218270 [0,0,0,0,0,0|2,0,2]=4 437 B13R0.147 CCOCCNCCCCC(=O)OC 2230a_102516460346_100000204269 [0,0,0,0,0,0|2,0,2]=4 438 B13R0.147 CCOCCNCCCCC(=O)OC 34a_102516460346_100000204269 [0,0,0,0,0,0|2,0,2]=4 439 B13R0.147 CCOCCOCCCCC(=O)OC 34a_100000059025_100000210147 [0,0,0,0,0,0|2,0,2]=4 440 B13R0.147 CCOCCOCCCCC(=O)OC 34a_100000210136_100000204269 [0,0,0,0,0,0|2,0,2]=4 441 B13R0.147 CCOCCOCCCCC(=O)OC 7a_100000059025_100011215890 [0,0,0,0,0,0|2,0,2]=4 442 B13R0.147 CCOCCOCCCCC(=O)OC 7a_100000210136_100000204269 [0,0,0,0,0,0|2,0,2]=4 443 B13R0.147 CCOCCSCCCCC(=O)OC 62a_100000204269_100011215890 [0,0,0,0,0,0|2,0,2]=4 444 B13R0.147 CCOCCSCCCCC(=O)OC 62a_100000210147_100000204269 [0,0,0,0,0,0|2,0,2]=4 445 B13R0.147 CCOCSCCCCCC(=O)OC 62a_100000739092_100009816466 [0,0,0,0,0,0|2,0,2]=4 446 B13R0.147 CCOCSCCCCCC(=O)OC 62a_100009816466_100000739092 [0,0,0,0,0,0|2,0,2]=4 447 B13R0.147 CCSCCCCCCCC(=O)OC 62a_100000210202_100010004213 [0,0,0,0,0,0|1,0,2]=3 448 B13R0.147 CCSCCCCCCCC(=O)OC 62a_100010004213_100000210202 [0,0,0,0,0,0|1,0,2]=3 449 B13R0.147 CCSCCCOCCCC(=O)OC 34a_100011216438_100000742333 [0,0,0,0,0,0|2,0,2]=4 450 B13R0.147 CCSCCCOCCCC(=O)OC 7a_100011216438_100011218270 [0,0,0,0,0,0|2,0,2]=4 451 B13R0.147 CCSCCNCCCCC(=O)OC 2230a_100000106463_100000204269 [0,0,0,0,0,0|2,0,2]=4 452 B13R0.147 CCSCCOCCCCC(=O)OC 34a_100000059025_100000757381 [0,0,0,0,0,0|2,0,2]=4 453 B13R0.147 CCSCCOCCCCC(=O)OC 34a_100000212035_100000204269 [0,0,0,0,0,0|2,0,2]=4 454 B13R0.147 CCSCCOCCCCC(=O)OC 7a_100000059025_100000757381 [0,0,0,0,0,0|2,0,2]=4 455 B13R0.147 CCSCCOCCCCC(=O)OC 7a_100000212035_100000204269 [0,0,0,0,0,0|2,0,2]=4 456 B13R0.147 CCSCCSCCCCC(=O)OC 62a_100000204269_100000757381 [0,0,0,0,0,0|2,0,2]=4 457 B13R0.147 CCSCCSCCCCC(=O)OC 62a_100000757381_100000204269 [0,0,0,0,0,0|2,0,2]=4 458 B13R0.147 CNC(=O)CCCCCCCCCF 11a_106832991635_200009909015 [0,0,0,0,0,0|2,0,1]=3 459 B13R0.147 CNC(=O)CCCCCCCCCF 240690a_100102657272_200009909015 [0,0,0,0,0,0|2,0,1]=3 460 B13R0.147 CNC(=O)CCCCCCCCCF 527a_100102657272_200009909015 [0,0,0,0,0,0|2,0,1]=3 461 B13R0.147 CNC(=O)CCCCCCCCCO 240690a_100102657272_100000032657 [0,0,0,0,0,0|2,0,1]=3 462 B13R0.147 CNC(=O)CCCNCCCCC#N 2230a_100000740002_100000211819 [0,0,0,0,0,0|3,0,1]=4 463 B13R0.147 CNC(=O)CCCNCCCCC=O 2230a_100000740002_100000139335 [0,0,0,0,0,0|3,0,0]=3 464 B13R0.147 CNC(=O)CCCNCCCCCF 2230a_100000740002_100000729378 [0,0,0,0,0,0|3,0,1]=4 465 B13R0.147 CNC(=O)CCCNCCCCCF 34a_100000740002_100000729378 [0,0,0,0,0,0|3,0,1]=4 466 B13R0.147 CNC(=O)CCCNCCCCCO 2230a_100000740002_100000746330 [0,0,0,0,0,0|3,0,1]=4 467 B13R0.147 CNC(=O)CCCNCCCCCO 2230a_100000762737_100000741757 [0,0,0,0,0,0|3,0,1]=4 468 B13R0.147 CNC(=O)CCCNCCCCCO 34a_100000740002_100000746330 [0,0,0,0,0,0|3,0,1]=4 469 B13R0.147 CNC(=O)CCCNCCCCCO 34a_100000762737_100000741757 [0,0,0,0,0,0|3,0,1]=4 470 B13R0.147 CNC(=O)CCCNCCCCOC 2230a_100000740002_100000730899 [0,0,0,0,0,0|3,0,1]=4 471 B13R0.147 CNC(=O)CCCNCCCCOC 34a_100000740002_100000755781 [0,0,0,0,0,0|3,0,1]=4 472 B13R0.147 CNC(=O)CCCOCCCCCBr 34a_100000746331_100000741757 [0,0,0,0,0,0|3,0,1]=4 473 B13R0.147 CNC(=O)CCCOCCCCCBr 7a_100000746331_100000741757 [0,0,0,0,0,0|3,0,1]=4 474 B13R0.147 CNC(=O)CCCOCCCCCCl 34a_100000746330_100000741757 [0,0,0,0,0,0|3,0,1]=4 475 B13R0.147 CNC(=O)CCCOCCCCCCl 7a_100000746330_100000741757 [0,0,0,0,0,0|3,0,1]=4 476 B13R0.147 CNC(=O)CCCOCCCCCI 34a_200012148887_100000741757 [0,0,0,0,0,0|3,0,1]=4 477 B13R0.147 CNC(=O)CCCOCCCCCI 7a_200012148887_100000741757 [0,0,0,0,0,0|3,0,1]=4 478 B13R0.147 CNC(=O)CCCOCCCCCN 34a_100000762737_100000741757 [0,0,0,0,0,0|3,0,1]=4 479 B13R0.147 CNC(=O)CCCOCCCCOC 34a_100000740925_100000741757 [0,0,0,0,0,0|3,0,1]=4 480 B13R0.147 CNC(=O)CCCOCCCCSC 34a_100011217163_100000741757 [0,0,0,0,0,0|3,0,1]=4 481 B13R0.147 CNC(=O)CCCOCCCCSC 7a_100011217163_100000741757 [0,0,0,0,0,0|3,0,1]=4 482 B13R0.147 CNC(=O)CCCSCCCCC#N 62a_100000741757_100000211819 [0,0,0,0,0,0|3,0,1]=4 483 B13R0.147 CNC(=O)CCCSCCCCC#N 62a_100011219923_100000741757 [0,0,0,0,0,0|3,0,1]=4 484 B13R0.147 CNC(=O)CCCSCCCCC=O 62a_100000139335_100000741757 [0,0,0,0,0,0|3,0,0]=3 485 B13R0.147 CNC(=O)CCCSCCCCC=O 62a_100000741757_100000139335 [0,0,0,0,0,0|3,0,0]=3 486 B13R0.147 CNC(=O)CCCSCCCCCF 62a_100000729378_100000741757 [0,0,0,0,0,0|3,0,1]=4 487 B13R0.147 CNC(=O)CCCSCCCCCF 62a_100000741757_100000729378 [0,0,0,0,0,0|3,0,1]=4 488 B13R0.147 CNC(=O)CCCSCCCCCO 62a_100000741757_100000746330 [0,0,0,0,0,0|3,0,1]=4 489 B13R0.147 CNC(=O)CCCSCCCCCO 62a_100000746330_100000741757 [0,0,0,0,0,0|3,0,1]=4 490 B13R0.147 CNC(=O)CCCSCCCCOC 62a_100000730899_100000741757 [0,0,0,0,0,0|3,0,1]=4 491 B13R0.147 CNC(=O)CCCSCCCCOC 62a_100000741757_100000730899 [0,0,0,0,0,0|3,0,1]=4 492 B13R0.147 CNC(=O)CCNCCCCCC#N 2230a_100000738227_100009813376 [0,0,0,0,0,0|3,0,1]=4 493 B13R0.147 CNC(=O)CCNCCCCCC=O 2230a_100000738227_100000139337 [0,0,0,0,0,0|3,0,0]=3 494 B13R0.147 CNC(=O)CCNCCCCCCF 2230a_100000738227_100015922095 [0,0,0,0,0,0|3,0,1]=4 495 B13R0.147 CNC(=O)CCNCCCCCCF 34a_100000738227_100015922095 [0,0,0,0,0,0|3,0,1]=4 496 B13R0.147 CNC(=O)CCNCCCCCCO 2230a_100000686447_100000737683 [0,0,0,0,0,0|3,0,1]=4 497 B13R0.147 CNC(=O)CCNCCCCCCO 2230a_100000738227_100000766143 [0,0,0,0,0,0|3,0,1]=4 498 B13R0.147 CNC(=O)CCNCCCCCCO 34a_100000686447_100012179268 [0,0,0,0,0,0|3,0,1]=4 499 B13R0.147 CNC(=O)CCNCCCCCCO 34a_100000738227_100000766143 [0,0,0,0,0,0|3,0,1]=4 500 B13R0.147 CNC(=O)CCNCCCCCOC 2230a_100000747528_100000737683 [0,0,0,0,0,0|3,0,1]=4 501 B13R0.147 CNC(=O)CCNCCCCCOC 34a_100000747528_100012179268 [0,0,0,0,0,0|3,0,1]=4 502 B13R0.147 CNC(=O)CCOCCCCCCBr 34a_100011215345_100012179268 [0,0,0,0,0,0|3,0,1]=4 503 B13R0.147 CNC(=O)CCOCCCCCCBr 7a_100011215345_100000737683 [0,0,0,0,0,0|3,0,1]=4 504 B13R0.147 CNC(=O)CCOCCCCCCCl 34a_100000766143_100012179268 [0,0,0,0,0,0|3,0,1]=4 505 B13R0.147 CNC(=O)CCOCCCCCCCl 7a_100000766143_100000737683 [0,0,0,0,0,0|3,0,1]=4 506 B13R0.147 CNC(=O)CCOCCCCCCF 34a_100000732779_100012179268 [0,0,0,0,0,0|3,0,1]=4 507 B13R0.147 CNC(=O)CCOCCCCCCF 34a_100000754576_100015922095 [0,0,0,0,0,0|3,0,1]=4 508 B13R0.147 CNC(=O)CCOCCCCCCF 7a_100000732779_100000737683 [0,0,0,0,0,0|3,0,1]=4 509 B13R0.147 CNC(=O)CCOCCCCCCN 34a_100000686447_100012179268 [0,0,0,0,0,0|3,0,1]=4 510 B13R0.147 CNC(=O)CCOCCCCCCO 34a_100000754576_100000766143 [0,0,0,0,0,0|3,0,1]=4 511 B13R0.147 CNC(=O)CCSCCCCCC#N 62a_100000737683_100009813376 [0,0,0,0,0,0|3,0,1]=4 512 B13R0.147 CNC(=O)CCSCCCCCC#N 62a_100009813376_100000737683 [0,0,0,0,0,0|3,0,1]=4 513 B13R0.147 CNC(=O)CCSCCCCCC=O 62a_100000139337_100000737683 [0,0,0,0,0,0|3,0,0]=3 514 B13R0.147 CNC(=O)CCSCCCCCC=O 62a_100000737683_100000139337 [0,0,0,0,0,0|3,0,0]=3 515 B13R0.147 CNC(=O)CCSCCCCCCF 62a_100000737683_100015922095 [0,0,0,0,0,0|3,0,1]=4 516 B13R0.147 CNC(=O)CCSCCCCCCF 62a_100015922095_100000737683 [0,0,0,0,0,0|3,0,1]=4 517 B13R0.147 CNC(=O)CCSCCCCCCO 62a_100000737683_100000766143 [0,0,0,0,0,0|3,0,1]=4 518 B13R0.147 CNC(=O)CCSCCCCCCO 62a_100000766143_100000737683 [0,0,0,0,0,0|3,0,1]=4 519 B13R0.147 CNC(=O)CNCCCCCCC#N 2230a_100000693194_100009813337 [0,0,0,0,0,0|3,0,1]=4 520 B13R0.147 CNC(=O)CNCCCCCCCO 2230a_100000693194_100000760002 [0,0,0,0,0,0|3,0,1]=4 521 B13R0.147 CNC(=O)CNCCCCCCCO 2230a_100011996573_100000183359 [0,0,0,0,0,0|3,0,1]=4 522 B13R0.147 CNC(=O)CNCCCCCCCO 34a_100011996573_100000183359 [0,0,0,0,0,0|3,0,1]=4 523 B13R0.147 CNC(=O)CNCCCCCCOC 2230a_100000693194_100011998445 [0,0,0,0,0,0|3,0,1]=4 524 B13R0.147 CNC(=O)COCCCCCCCBr 34a_100000760002_100000183359 [0,0,0,0,0,0|3,0,1]=4 525 B13R0.147 CNC(=O)COCCCCCCCBr 7a_100000760002_100000183359 [0,0,0,0,0,0|3,0,1]=4 526 B13R0.147 CNC(=O)COCCCCCCCN 34a_100011996573_100000183359 [0,0,0,0,0,0|3,0,1]=4 527 B13R0.147 CNC(=O)COCCCCCCCO 34a_100000750040_100000760002 [0,0,0,0,0,0|3,0,1]=4 528 B13R0.147 CNC(=O)COCCCCCCOC 34a_100000750040_100011998445 [0,0,0,0,0,0|3,0,1]=4 529 B13R0.147 CNC(=O)COCCCCCCOC 34a_200012092642_100000183359 [0,0,0,0,0,0|3,0,1]=4 530 B13R0.147 CNC(=O)COCCCCCCOC 7a_200012092642_100000183359 [0,0,0,0,0,0|3,0,1]=4 531 B13R0.147 CNC(=O)CSCCCCCCC#N 62a_100000183359_100009813337 [0,0,0,0,0,0|3,0,1]=4 532 B13R0.147 CNC(=O)CSCCCCCCC#N 62a_100009813337_100000183359 [0,0,0,0,0,0|3,0,1]=4 533 B13R0.147 CNC(=O)CSCCCCCCCO 62a_100000183359_100000760002 [0,0,0,0,0,0|3,0,1]=4 534 B13R0.147 CNC(=O)CSCCCCCCCO 62a_100000760002_100000183359 [0,0,0,0,0,0|3,0,1]=4 535 B13R0.147 CNC(=O)CSCCCCCCOC 62a_100000183359_100011998445 [0,0,0,0,0,0|3,0,1]=4 536 B13R0.147 CNC(=O)CSCCCCCCOC 62a_100011998445_100000183359 [0,0,0,0,0,0|3,0,1]=4 537 B13R0.147 CNC(=O)NCCCCCCCCO 2708a_100102657272_102515433106 [0,0,0,0,0,0|3,0,1]=4 538 B13R0.147 CNC(=O)NCCCCCCCCO 2708a_102515433106_106832991635 [0,0,0,0,0,0|3,0,1]=4 539 B13R0.147 CNC(=O)NCCCCCCCCO 273464a_100102657272_102515433106 [0,0,0,0,0,0|3,0,1]=4 540 B13R0.147 CNC(=O)NCCCCCCCCO 273464a_102515433106_100102657272 [0,0,0,0,0,0|3,0,1]=4 541 B13R0.147 CNC(=O)NCCCCCCCCO 512a_102515433106_100102657272 [0,0,0,0,0,0|3,0,1]=4 542 B13R0.147 CNC(=O)NCCCCCCCCO 512a_106832991638_102515433106 [0,0,0,0,0,0|3,0,1]=4 543 B13R0.147 CNC(=O)OCCSCCCCC=O 62a_100000139335_200011997002 [0,0,0,0,0,0|4,0,0]=4 544 B13R0.147 CNC(=O)OCCSCCCCC=O 62a_200011997002_100000139335 [0,0,0,0,0,0|4,0,0]=4 545 B13R0.147 CNCCCCCCCCC(=O)OC 2230a_106832991635_100010282707 [0,0,0,0,0,0|1,0,1]=2 546 B13R0.147 CNCCCCCCCCC(=O)OC 34a_100102657272_100010282707 [0,0,0,0,0,0|1,0,1]=2 547 B13R0.147 CNCCCCCCCCC(=O)OC 7a_106832991635_100010282707 [0,0,0,0,0,0|1,0,1]=2 548 B13R0.147 CNCCCCCOCCC(=O)NC 34a_100000722520_100012179268 [0,0,0,0,0,0|3,0,1]=4 549 B13R0.147 CNCCCCCOCCC(=O)OC 34a_100000722520_100000742370 [0,0,0,0,0,0|2,0,1]=3 550 B13R0.147 CNCCCOCCCCC(=O)OC 34a_100000213112_100000204269 [0,0,0,0,0,0|2,0,1]=3 551 B13R0.147 CNCCCOCCOCC(=O)OC 34a_100000213112_100000090808 [0,0,0,0,0,0|3,0,1]=4 552 B13R0.147 CNCCOCCOCCC(=O)OC 34a_100000228057_100000742370 [0,0,0,0,0,0|3,0,1]=4 553 B13R0.147 COC(=O)/C=C/CSCCCCC=O 62a_100000139335_100000742655 [0,0,0,0,0,0|2,0,2]=4 554 B13R0.147 COC(=O)/C=C/CSCCCCC=O 62a_100000742655_100000139335 [0,0,0,0,0,0|2,0,2]=4 555 B13R0.147 COC(=O)CCCCCCCCO[13CH3] 34a_100000035544_200025704644 [0,0,0,0,0,0|1,0,1]=2 556 B13R0.147 COC(=O)CCCCCCCCO[13CH3] 7a_100000035544_200025704644 [0,0,0,0,0,0|1,0,1]=2 557 B13R0.147 COC(=O)CCCCCCCCSC 62a_100010282707_200000210301 [0,0,0,0,0,0|1,0,1]=2 558 B13R0.147 COC(=O)CCCCCCCCSC 62a_200000210301_100010282707 [0,0,0,0,0,0|1,0,1]=2 559 B13R0.147 COC(=O)CCCCCCCCS[13CH3] 62a_100010282707_200025704644 [0,0,0,0,0,0|1,0,1]=2 560 B13R0.147 COC(=O)CCCCCCCCS[13CH3] 62a_200025704644_100010282707 [0,0,0,0,0,0|1,0,1]=2 561 B13R0.147 COC(=O)CCCCCCCOCF 34a_100011022521_100015361967 [0,0,0,0,0,0|2,0,1]=3 562 B13R0.147 COC(=O)CCCCCCCOCF 7a_100011022521_100015361967 [0,0,0,0,0,0|2,0,1]=3 563 B13R0.147 COC(=O)CCCCCCCSCF 62a_100010004213_100015361967 [0,0,0,0,0,0|2,0,1]=3 564 B13R0.147 COC(=O)CCCCCCCSCF 62a_100015361967_100010004213 [0,0,0,0,0,0|2,0,1]=3 565 B13R0.147 COC(=O)CCCCCCNCCF 34a_100000724931_100009815986 [0,0,0,0,0,0|2,0,1]=3 566 B13R0.147 COC(=O)CCCCCCNCCO 2230a_100016997473_100009815986 [0,0,0,0,0,0|2,0,1]=3 567 B13R0.147 COC(=O)CCCCCCNCCO 34a_100016990907_100009815986 [0,0,0,0,0,0|2,0,1]=3 568 B13R0.147 COC(=O)CCCCCCOCC#N 7a_100009863599_100011215382 [0,0,0,0,0,0|2,0,1]=3 569 B13R0.147 COC(=O)CCCCCCOCC=O 34a_100009863599_200009817547 [0,0,0,0,0,0|2,0,0]=2 570 B13R0.147 COC(=O)CCCCCCOCC=O 7a_100009863599_200015260668 [0,0,0,0,0,0|2,0,0]=2 571 B13R0.147 COC(=O)CCCCCCOCCBr 34a_100000211926_100009815986 [0,0,0,0,0,0|2,0,1]=3 572 B13R0.147 COC(=O)CCCCCCOCCF 34a_100009863599_100011217306 [0,0,0,0,0,0|2,0,1]=3 573 B13R0.147 COC(=O)CCCCCCOCCF 7a_100009863599_100011217306 [0,0,0,0,0,0|2,0,1]=3 574 B13R0.147 COC(=O)CCCCCCOCCN 34a_100000210304_100009815986 [0,0,0,0,0,0|2,0,1]=3 575 B13R0.147 COC(=O)CCCCCCOCCO 34a_100009863599_100000211926 [0,0,0,0,0,0|2,0,1]=3 576 B13R0.147 COC(=O)CCCCCCOCCO 7a_100009863599_100000211926 [0,0,0,0,0,0|2,0,1]=3 577 B13R0.147 COC(=O)CCCCCCOCSC 34a_100009863599_100011218213 [0,0,0,0,0,0|2,0,1]=3 578 B13R0.147 COC(=O)CCCCCCSCC#N 62a_100009815986_100011215382 [0,0,0,0,0,0|2,0,1]=3 579 B13R0.147 COC(=O)CCCCCCSCC#N 62a_100011215382_100009815986 [0,0,0,0,0,0|2,0,1]=3 580 B13R0.147 COC(=O)CCCCCCSCC=O 62a_100009815986_200015260668 [0,0,0,0,0,0|2,0,0]=2 581 B13R0.147 COC(=O)CCCCCCSCC=O 62a_200015260668_100009815986 [0,0,0,0,0,0|2,0,0]=2 582 B13R0.147 COC(=O)CCCCCCSCCF 62a_100009815986_100011217306 [0,0,0,0,0,0|2,0,1]=3 583 B13R0.147 COC(=O)CCCCCCSCCF 62a_100011217306_100009815986 [0,0,0,0,0,0|2,0,1]=3 584 B13R0.147 COC(=O)CCCCCCSCCO 62a_100000211926_100009815986 [0,0,0,0,0,0|2,0,1]=3 585 B13R0.147 COC(=O)CCCCCCSCCO 62a_100009815986_100000211926 [0,0,0,0,0,0|2,0,1]=3 586 B13R0.147 COC(=O)CCCCCCSCSC 62a_100009815986_100011218213 [0,0,0,0,0,0|2,0,1]=3 587 B13R0.147 COC(=O)CCCCCCSCSC 62a_100011218213_100009815986 [0,0,0,0,0,0|2,0,1]=3 588 B13R0.147 COC(=O)CCCCCNCCCF 2230a_100015189416_100009816466 [0,0,0,0,0,0|2,0,1]=3 589 B13R0.147 COC(=O)CCCCCNCCCF 34a_100015189416_100009816466 [0,0,0,0,0,0|2,0,1]=3 590 B13R0.147 COC(=O)CCCCCNCCSC 2230a_100020590264_100009816466 [0,0,0,0,0,0|2,0,1]=3 591 B13R0.147 COC(=O)CCCCCOCCC#N 7a_100000074720_100000184422 [0,0,0,0,0,0|2,0,1]=3 592 B13R0.147 COC(=O)CCCCCOCCCBr 34a_100011217188_100009816466 [0,0,0,0,0,0|2,0,1]=3 593 B13R0.147 COC(=O)CCCCCOCCCCl 34a_100000230001_100009816466 [0,0,0,0,0,0|2,0,1]=3 594 B13R0.147 COC(=O)CCCCCOCCCF 34a_100000074720_100011934791 [0,0,0,0,0,0|2,0,1]=3 595 B13R0.147 COC(=O)CCCCCOCCCF 34a_100000759539_100009816466 [0,0,0,0,0,0|2,0,1]=3 596 B13R0.147 COC(=O)CCCCCOCCCF 7a_100000074720_100011934791 [0,0,0,0,0,0|2,0,1]=3 597 B13R0.147 COC(=O)CCCCCOCCCN 34a_100000182051_100009816466 [0,0,0,0,0,0|2,0,1]=3 598 B13R0.147 COC(=O)CCCCCOCCCO 34a_100000074720_100000230001 [0,0,0,0,0,0|2,0,1]=3 599 B13R0.147 COC(=O)CCCCCOCCCO 7a_100000074720_100011215043 [0,0,0,0,0,0|2,0,1]=3 600 B13R0.147 COC(=O)CCCCCOCCON 34a_100000700252_100009816466 [0,0,0,0,0,0|3,0,0]=3 601 B13R0.147 COC(=O)CCCCCOCCSC 34a_100000074720_100000212216 [0,0,0,0,0,0|2,0,1]=3 602 B13R0.147 COC(=O)CCCCCOCCSC 34a_100000230434_100009816466 [0,0,0,0,0,0|2,0,1]=3 603 B13R0.147 COC(=O)CCCCCOCCSC 7a_100000074720_100000212216 [0,0,0,0,0,0|2,0,1]=3 604 B13R0.147 COC(=O)CCCCCOCCSC 7a_100000230434_100009816466 [0,0,0,0,0,0|2,0,1]=3 605 B13R0.147 COC(=O)CCCCCSCCC#N 62a_100009816466_100011215226 [0,0,0,0,0,0|2,0,1]=3 606 B13R0.147 COC(=O)CCCCCSCCC#N 62a_100011215226_100009816466 [0,0,0,0,0,0|2,0,1]=3 607 B13R0.147 COC(=O)CCCCCSCCCF 62a_100009816466_100011934791 [0,0,0,0,0,0|2,0,1]=3 608 B13R0.147 COC(=O)CCCCCSCCCF 62a_100011934791_100009816466 [0,0,0,0,0,0|2,0,1]=3 609 B13R0.147 COC(=O)CCCCCSCCCO 62a_100009816466_100011215043 [0,0,0,0,0,0|2,0,1]=3 610 B13R0.147 COC(=O)CCCCCSCCCO 62a_100011215043_100009816466 [0,0,0,0,0,0|2,0,1]=3 611 B13R0.147 COC(=O)CCCCCSCCSC 62a_100000212216_100009816466 [0,0,0,0,0,0|2,0,1]=3 612 B13R0.147 COC(=O)CCCCCSCCSC 62a_100009816466_100000751147 [0,0,0,0,0,0|2,0,1]=3 613 B13R0.147 COC(=O)CCCCCSCSC#N 62a_100000211825_100009816466 [0,0,0,0,0,0|3,0,1]=4 614 B13R0.147 COC(=O)CCCCCSCSC#N 62a_100009816466_100000211825 [0,0,0,0,0,0|3,0,1]=4 615 B13R0.147 COC(=O)CCCCNCCCCO 2230a_100000750430_100000204269 [0,0,0,0,0,0|2,0,1]=3 616 B13R0.147 COC(=O)CCCCNCCCCO 34a_100000750430_100000204269 [0,0,0,0,0,0|2,0,1]=3 617 B13R0.147 COC(=O)CCCCNCCCSC 2230a_100000749238_100000204269 [0,0,0,0,0,0|2,0,1]=3 618 B13R0.147 COC(=O)CCCCOCCCC#N 7a_100000059025_100000687738 [0,0,0,0,0,0|2,0,1]=3 619 B13R0.147 COC(=O)CCCCOCCCC=O 7a_100000059025_200011292268 [0,0,0,0,0,0|2,0,0]=2 620 B13R0.147 COC(=O)CCCCOCCCCBr 34a_100011216708_100000204269 [0,0,0,0,0,0|2,0,1]=3 621 B13R0.147 COC(=O)CCCCOCCCCCl 34a_100000210776_100000204269 [0,0,0,0,0,0|2,0,1]=3 622 B13R0.147 COC(=O)CCCCOCCCCCl 7a_100000210776_100000204269 [0,0,0,0,0,0|2,0,1]=3 623 B13R0.147 COC(=O)CCCCOCCCCF 34a_100000059025_100000729493 [0,0,0,0,0,0|2,0,1]=3 624 B13R0.147 COC(=O)CCCCOCCCCF 34a_100011995726_100000204269 [0,0,0,0,0,0|2,0,1]=3 625 B13R0.147 COC(=O)CCCCOCCCCF 7a_100000059025_100000729493 [0,0,0,0,0,0|2,0,1]=3 626 B13R0.147 COC(=O)CCCCOCCCCF 7a_100011995726_100000204269 [0,0,0,0,0,0|2,0,1]=3 627 B13R0.147 COC(=O)CCCCOCCCCI 34a_200012148704_100000204269 [0,0,0,0,0,0|2,0,1]=3 628 B13R0.147 COC(=O)CCCCOCCCCN 34a_100000750430_100000204269 [0,0,0,0,0,0|2,0,1]=3 629 B13R0.147 COC(=O)CCCCOCCCCO 34a_100000059025_100011216708 [0,0,0,0,0,0|2,0,1]=3 630 B13R0.147 COC(=O)CCCCOCCCCO 7a_100000059025_100000210776 [0,0,0,0,0,0|2,0,1]=3 631 B13R0.147 COC(=O)CCCCOCCCSC 34a_100000690336_100000204269 [0,0,0,0,0,0|2,0,1]=3 632 B13R0.147 COC(=O)CCCCOCCCSC 7a_100000690336_100000204269 [0,0,0,0,0,0|2,0,1]=3 633 B13R0.147 COC(=O)CCCCSCCCC#N 62a_100000204269_100000687738 [0,0,0,0,0,0|2,0,1]=3 634 B13R0.147 COC(=O)CCCCSCCCC#N 62a_100000687738_100000204269 [0,0,0,0,0,0|2,0,1]=3 635 B13R0.147 COC(=O)CCCCSCCCC=O 62a_100000204269_200011292268 [0,0,0,0,0,0|2,0,0]=2 636 B13R0.147 COC(=O)CCCCSCCCC=O 62a_200011292268_100000204269 [0,0,0,0,0,0|2,0,0]=2 637 B13R0.147 COC(=O)CCCCSCCCCF 62a_100000204269_100000729493 [0,0,0,0,0,0|2,0,1]=3 638 B13R0.147 COC(=O)CCCCSCCCCF 62a_100000729493_100000204269 [0,0,0,0,0,0|2,0,1]=3 639 B13R0.147 COC(=O)CCCCSCCCCO 62a_100000204269_100000210776 [0,0,0,0,0,0|2,0,1]=3 640 B13R0.147 COC(=O)CCCCSCCCCO 62a_100000210776_100000204269 [0,0,0,0,0,0|2,0,1]=3 641 B13R0.147 COC(=O)CCCCSCCSC#N 62a_100000034367_100000204269 [0,0,0,0,0,0|3,0,1]=4 642 B13R0.147 COC(=O)CCCCSCCSC#N 62a_100000204269_100000034367 [0,0,0,0,0,0|3,0,1]=4 643 B13R0.147 COC(=O)CCCNCCCCCO 2230a_100000762737_100011218270 [0,0,0,0,0,0|2,0,1]=3 644 B13R0.147 COC(=O)CCCNCCCCCO 34a_100000762737_100000742333 [0,0,0,0,0,0|2,0,1]=3 645 B13R0.147 COC(=O)CCCNCCCN=[N+]=[N-] 2230a_100000744732_100011218270 [0,0,0,0,0,0|4,0,0]=4 646 B13R0.147 COC(=O)CCCNCCOCCO 2230a_100000211614_100011218270 [0,0,0,0,0,0|3,0,1]=4 647 B13R0.147 COC(=O)CCCNCCOCCO 34a_100000211614_100000742333 [0,0,0,0,0,0|3,0,1]=4 648 B13R0.147 COC(=O)CCCNCCSCCO 2230a_100011219999_100011218270 [0,0,0,0,0,0|3,0,1]=4 649 B13R0.147 COC(=O)CCCOCCCCCBr 34a_100000746331_100000742333 [0,0,0,0,0,0|2,0,1]=3 650 B13R0.147 COC(=O)CCCOCCCCCBr 7a_100000746331_100011218270 [0,0,0,0,0,0|2,0,1]=3 651 B13R0.147 COC(=O)CCCOCCCCCCl 34a_100000746330_100000742333 [0,0,0,0,0,0|2,0,1]=3 652 B13R0.147 COC(=O)CCCOCCCCCCl 7a_100000746330_100011218270 [0,0,0,0,0,0|2,0,1]=3 653 B13R0.147 COC(=O)CCCOCCCCCI 34a_200012148887_100000742333 [0,0,0,0,0,0|2,0,1]=3 654 B13R0.147 COC(=O)CCCOCCCCCI 7a_200012148887_100011218270 [0,0,0,0,0,0|2,0,1]=3 655 B13R0.147 COC(=O)CCCOCCCCCN 34a_100000762737_100000742333 [0,0,0,0,0,0|2,0,1]=3 656 B13R0.147 COC(=O)CCCOCCCCSC 34a_100011217163_100000742333 [0,0,0,0,0,0|2,0,1]=3 657 B13R0.147 COC(=O)CCCOCCCCSC 7a_100011217163_100011218270 [0,0,0,0,0,0|2,0,1]=3 658 B13R0.147 COC(=O)CCCOCCOCCBr 34a_100000692535_100000742333 [0,0,0,0,0,0|3,0,1]=4 659 B13R0.147 COC(=O)CCCOCCOCCBr 7a_100000692535_100011218270 [0,0,0,0,0,0|3,0,1]=4 660 B13R0.147 COC(=O)CCCOCCOCCCl 34a_100011215305_100000742333 [0,0,0,0,0,0|3,0,1]=4 661 B13R0.147 COC(=O)CCCOCCOCCCl 7a_100011215305_100011218270 [0,0,0,0,0,0|3,0,1]=4 662 B13R0.147 COC(=O)CCCOCCOCCF 34a_200015357709_100000742333 [0,0,0,0,0,0|3,0,1]=4 663 B13R0.147 COC(=O)CCCOCCOCCF 7a_200015357709_100011218270 [0,0,0,0,0,0|3,0,1]=4 664 B13R0.147 COC(=O)CCCOCCOCCI 34a_100012149058_100000742333 [0,0,0,0,0,0|3,0,1]=4 665 B13R0.147 COC(=O)CCCOCCOCCI 7a_100012149058_100011218270 [0,0,0,0,0,0|3,0,1]=4 666 B13R0.147 COC(=O)CCCOCCOCCN 34a_100000211614_100000742333 [0,0,0,0,0,0|3,0,1]=4 667 B13R0.147 COC(=O)CCCSCCCCC#N 62a_100011218270_100000211819 [0,0,0,0,0,0|2,0,1]=3 668 B13R0.147 COC(=O)CCCSCCCCC#N 62a_100011219923_100011218270 [0,0,0,0,0,0|2,0,1]=3 669 B13R0.147 COC(=O)CCCSCCCCC=O 62a_100000139335_100011218270 [0,0,0,0,0,0|2,0,0]=2 670 B13R0.147 COC(=O)CCCSCCCCC=O 62a_100011218270_100000139335 [0,0,0,0,0,0|2,0,0]=2 671 B13R0.147 COC(=O)CCCSCCCCCF 62a_100000729378_100011218270 [0,0,0,0,0,0|2,0,1]=3 672 B13R0.147 COC(=O)CCCSCCCCCF 62a_100011218270_100000729378 [0,0,0,0,0,0|2,0,1]=3 673 B13R0.147 COC(=O)CCCSCCCCCO 62a_100000746330_100011218270 [0,0,0,0,0,0|2,0,1]=3 674 B13R0.147 COC(=O)CCCSCCCCCO 62a_100011218270_100000746330 [0,0,0,0,0,0|2,0,1]=3 675 B13R0.147 COC(=O)CCCSCCOCC#N 62a_100011218270_200000047693 [0,0,0,0,0,0|3,0,1]=4 676 B13R0.147 COC(=O)CCCSCCOCC#N 62a_200000047693_100011218270 [0,0,0,0,0,0|3,0,1]=4 677 B13R0.147 COC(=O)CCCSCCOCCO 62a_100011215305_100011218270 [0,0,0,0,0,0|3,0,1]=4 678 B13R0.147 COC(=O)CCCSCCOCCO 62a_100011218270_100011215305 [0,0,0,0,0,0|3,0,1]=4 679 B13R0.147 COC(=O)CCNCCCCCCO 2230a_100000686447_100000204255 [0,0,0,0,0,0|2,0,1]=3 680 B13R0.147 COC(=O)CCNCCCCCCO 34a_100000686447_100000742370 [0,0,0,0,0,0|2,0,1]=3 681 B13R0.147 COC(=O)CCNCCCCN=[N+]=[N-] 2230a_100000101370_100000204255 [0,0,0,0,0,0|4,0,0]=4 682 B13R0.147 COC(=O)CCOCCCCCCBr 34a_100011215345_100000742370 [0,0,0,0,0,0|2,0,1]=3 683 B13R0.147 COC(=O)CCOCCCCCCBr 7a_100011215345_100000204255 [0,0,0,0,0,0|2,0,1]=3 684 B13R0.147 COC(=O)CCOCCCCCCCl 34a_100000766143_100000742370 [0,0,0,0,0,0|2,0,1]=3 685 B13R0.147 COC(=O)CCOCCCCCCCl 7a_100000766143_100000204255 [0,0,0,0,0,0|2,0,1]=3 686 B13R0.147 COC(=O)CCOCCCCCCF 34a_100000732779_100000742370 [0,0,0,0,0,0|2,0,1]=3 687 B13R0.147 COC(=O)CCOCCCCCCF 7a_100000732779_100000204255 [0,0,0,0,0,0|2,0,1]=3 688 B13R0.147 COC(=O)CCOCCCCCCN 34a_100000686447_100000742370 [0,0,0,0,0,0|2,0,1]=3 689 B13R0.147 COC(=O)CCOCCOCCO[13CH3] 34a_100010982084_200025704644 [0,0,0,0,0,0|3,0,1]=4 690 B13R0.147 COC(=O)CCOCCOCCO[13CH3] 7a_100010982084_200025704644 [0,0,0,0,0,0|3,0,1]=4 691 B13R0.147 COC(=O)CCSCCCCCC#N 62a_100000204255_100009813376 [0,0,0,0,0,0|2,0,1]=3 692 B13R0.147 COC(=O)CCSCCCCCC#N 62a_100009813376_100000204255 [0,0,0,0,0,0|2,0,1]=3 693 B13R0.147 COC(=O)CCSCCCCCC=O 62a_100000139337_100000204255 [0,0,0,0,0,0|2,0,0]=2 694 B13R0.147 COC(=O)CCSCCCCCC=O 62a_100000204255_100000139337 [0,0,0,0,0,0|2,0,0]=2 695 B13R0.147 COC(=O)CCSCCCCCCF 62a_100000204255_100015922095 [0,0,0,0,0,0|2,0,1]=3 696 B13R0.147 COC(=O)CCSCCCCCCF 62a_100015922095_100000204255 [0,0,0,0,0,0|2,0,1]=3 697 B13R0.147 COC(=O)CCSCCCCCCO 62a_100000204255_100000766143 [0,0,0,0,0,0|2,0,1]=3 698 B13R0.147 COC(=O)CCSCCCCCCO 62a_100000766143_100000204255 [0,0,0,0,0,0|2,0,1]=3 699 B13R0.147 COC(=O)CNCCCCCCCO 2230a_100011996573_100000747449 [0,0,0,0,0,0|2,0,1]=3 700 B13R0.147 COC(=O)CNCCCCCCCO 34a_100011996573_100000747449 [0,0,0,0,0,0|2,0,1]=3 701 B13R0.147 COC(=O)CNCCCOCCCO 2230a_100011310245_100000747449 [0,0,0,0,0,0|3,0,1]=4 702 B13R0.147 COC(=O)CNCCCOCCCO 34a_100011310245_100000747449 [0,0,0,0,0,0|3,0,1]=4 703 B13R0.147 COC(=O)COCCCCCCCBr 34a_100000760002_100000747449 [0,0,0,0,0,0|2,0,1]=3 704 B13R0.147 COC(=O)COCCCCCCCBr 7a_100000760002_100000747449 [0,0,0,0,0,0|2,0,1]=3 705 B13R0.147 COC(=O)COCCCCCCCN 34a_100011996573_100000747449 [0,0,0,0,0,0|2,0,1]=3 706 B13R0.147 COC(=O)COCCCOCCCN 34a_100011310245_100000747449 [0,0,0,0,0,0|3,0,1]=4 707 B13R0.147 COC(=O)COCCNCCCCO 2230a_100000750430_100000090808 [0,0,0,0,0,0|3,0,1]=4 708 B13R0.147 COC(=O)COCCNCCCCO 34a_100000750430_100000090808 [0,0,0,0,0,0|3,0,1]=4 709 B13R0.147 COC(=O)COCCNCCCSC 2230a_100000749238_100000090808 [0,0,0,0,0,0|3,0,1]=4 710 B13R0.147 COC(=O)COCCOCCCCBr 34a_100011216708_100000090808 [0,0,0,0,0,0|3,0,1]=4 711 B13R0.147 COC(=O)COCCOCCCCCl 34a_100000210776_100000090808 [0,0,0,0,0,0|3,0,1]=4 712 B13R0.147 COC(=O)COCCOCCCCCl 7a_100000210776_100000090808 [0,0,0,0,0,0|3,0,1]=4 713 B13R0.147 COC(=O)COCCOCCCCF 34a_100011995726_100000090808 [0,0,0,0,0,0|3,0,1]=4 714 B13R0.147 COC(=O)COCCOCCCCF 7a_100011995726_100000090808 [0,0,0,0,0,0|3,0,1]=4 715 B13R0.147 COC(=O)COCCOCCCCI 34a_200012148704_100000090808 [0,0,0,0,0,0|3,0,1]=4 716 B13R0.147 COC(=O)COCCOCCCCN 34a_100000750430_100000090808 [0,0,0,0,0,0|3,0,1]=4 717 B13R0.147 COC(=O)COCCOCCCSC 34a_100000690336_100000090808 [0,0,0,0,0,0|3,0,1]=4 718 B13R0.147 COC(=O)COCCOCCCSC 7a_100000690336_100000090808 [0,0,0,0,0,0|3,0,1]=4 719 B13R0.147 COC(=O)COCCSCCCC#N 62a_100000090808_100000687738 [0,0,0,0,0,0|3,0,1]=4 720 B13R0.147 COC(=O)COCCSCCCC#N 62a_100000687738_100000090808 [0,0,0,0,0,0|3,0,1]=4 721 B13R0.147 COC(=O)COCCSCCCC=O 62a_100000090808_200011292268 [0,0,0,0,0,0|3,0,0]=3 722 B13R0.147 COC(=O)COCCSCCCC=O 62a_200011292268_100000090808 [0,0,0,0,0,0|3,0,0]=3 723 B13R0.147 COC(=O)COCCSCCCCF 62a_100000090808_100000729493 [0,0,0,0,0,0|3,0,1]=4 724 B13R0.147 COC(=O)COCCSCCCCF 62a_100000729493_100000090808 [0,0,0,0,0,0|3,0,1]=4 725 B13R0.147 COC(=O)COCCSCCCCO 62a_100000090808_100000210776 [0,0,0,0,0,0|3,0,1]=4 726 B13R0.147 COC(=O)COCCSCCCCO 62a_100000210776_100000090808 [0,0,0,0,0,0|3,0,1]=4 727 B13R0.147 COC(=O)CSCCCCCCC#N 62a_100000747449_100009813337 [0,0,0,0,0,0|2,0,1]=3 728 B13R0.147 COC(=O)CSCCCCCCC#N 62a_100009813337_100000747449 [0,0,0,0,0,0|2,0,1]=3 729 B13R0.147 COC(=O)CSCCCCCCCO 62a_100000747449_100000760002 [0,0,0,0,0,0|2,0,1]=3 730 B13R0.147 COC(=O)CSCCCCCCCO 62a_100000760002_100000747449 [0,0,0,0,0,0|2,0,1]=3 731 B13R0.147 COC(=O)NCCOCCCCCF 34a_100000757965_100000729378 [0,0,0,0,0,0|3,0,1]=4 732 B13R0.147 COC(=O)NCCOCCCCCO 34a_100000757965_100000746330 [0,0,0,0,0,0|3,0,1]=4 733 B13R0.147 COC(=O)OCCOCCCCCF 34a_100010262106_100000729378 [0,0,0,0,0,0|3,0,1]=4 734 B13R0.147 COC(=O)OCCOCCCCCO 34a_100010262106_100000746330 [0,0,0,0,0,0|3,0,1]=4 735 B13R0.147 COC(=O)OCSCCCCCC#N 62a_100009813376_100000139417 [0,0,0,0,0,0|3,0,1]=4 736 B13R0.147 COC(=O)OCSCCCCCC=O 62a_100000139337_100000139417 [0,0,0,0,0,0|3,0,0]=3 737 B13R0.147 COC(=O)OCSCCCCCCF 62a_100015922095_100000139417 [0,0,0,0,0,0|3,0,1]=4 738 B13R0.147 COC(=O)OCSCCCCCCO 62a_100000766143_100000139417 [0,0,0,0,0,0|3,0,1]=4 739 B13R0.147 COC(C)CCOCCCCCC=O 7a_100000764861_100000139337 [0,0,0,0,0,0|3,0,1]=4 740 B13R0.147 COCCCCCCCCC(=O)OC 34a_100000035544_200000210301 [0,0,0,0,0,0|1,0,1]=2 741 B13R0.147 COCCCCCCCCC(=O)OC 34a_100138415774_100010282707 [0,0,0,0,0,0|1,0,1]=2 742 B13R0.147 COCCCCCCCCC(=O)OC 7a_100000035544_200000210301 [0,0,0,0,0,0|1,0,1]=2 743 B13R0.147 COCCCCCCOCC(=O)OC 34a_200012092642_100000747449 [0,0,0,0,0,0|2,0,1]=3 744 B13R0.147 COCCCCCCOCC(=O)OC 7a_200012092642_100000747449 [0,0,0,0,0,0|2,0,1]=3 745 B13R0.147 COCCCCCCSCC(=O)OC 62a_100000747449_100011998445 [0,0,0,0,0,0|2,0,1]=3 746 B13R0.147 COCCCCCCSCC(=O)OC 62a_100011998445_100000747449 [0,0,0,0,0,0|2,0,1]=3 747 B13R0.147 COCCCCCNCCC(=O)OC 2230a_100000747528_100000204255 [0,0,0,0,0,0|2,0,1]=3 748 B13R0.147 COCCCCCNCCC(=O)OC 34a_100000747528_100000742370 [0,0,0,0,0,0|2,0,1]=3 749 B13R0.147 COCCCCOCCCC(=O)OC 34a_100000740925_100000742333 [0,0,0,0,0,0|2,0,1]=3 750 B13R0.147 COCCCCOCCNC(=O)OC 34a_100000757965_100000755781 [0,0,0,0,0,0|3,0,1]=4 751 B13R0.147 COCCCCOCCOC(=O)OC 34a_100010262106_100000755781 [0,0,0,0,0,0|3,0,1]=4 752 B13R0.147 COCCCCSCCCC(=O)OC 62a_100000730899_100011218270 [0,0,0,0,0,0|2,0,1]=3 753 B13R0.147 COCCCCSCCCC(=O)OC 62a_100011218270_100000730899 [0,0,0,0,0,0|2,0,1]=3 754 B13R0.147 COCCCNCCCCC(=O)OC 34a_100150723488_100000204269 [0,0,0,0,0,0|2,0,1]=3 755 B13R0.147 COCCCNCCOCC(=O)OC 34a_100150723488_100000090808 [0,0,0,0,0,0|3,0,1]=4 756 B13R0.147 COCCCOCCCCC(=O)OC 34a_100000059025_100000740836 [0,0,0,0,0,0|2,0,1]=3 757 B13R0.147 COCCCOCCCCC(=O)OC 34a_100000740835_100000204269 [0,0,0,0,0,0|2,0,1]=3 758 B13R0.147 COCCCOCCCCC(=O)OC 7a_100000059025_100000740836 [0,0,0,0,0,0|2,0,1]=3 759 B13R0.147 COCCCOCCOCC(=O)OC 34a_100000740835_100000090808 [0,0,0,0,0,0|3,0,1]=4 760 B13R0.147 COCCCSCCCCC(=O)OC 62a_100000204269_100000709357 [0,0,0,0,0,0|2,0,1]=3 761 B13R0.147 COCCCSCCCCC(=O)OC 62a_100000709357_100000204269 [0,0,0,0,0,0|2,0,1]=3 762 B13R0.147 COCCCSCCOCC(=O)OC 62a_100000090808_100000709357 [0,0,0,0,0,0|3,0,1]=4 763 B13R0.147 COCCCSCCOCC(=O)OC 62a_100000709357_100000090808 [0,0,0,0,0,0|3,0,1]=4 764 B13R0.147 COCCNCCCCCC(=O)OC 2230a_100000209980_100009816466 [0,0,0,0,0,0|2,0,1]=3 765 B13R0.147 COCCOCCCCCC(=O)OC 34a_100000074720_100011201679 [0,0,0,0,0,0|2,0,1]=3 766 B13R0.147 COCCOCCCCCC(=O)OC 34a_100000210237_100009816466 [0,0,0,0,0,0|2,0,1]=3 767 B13R0.147 COCCOCCCCCC(=O)OC 7a_100000074720_100000233755 [0,0,0,0,0,0|2,0,1]=3 768 B13R0.147 COCCOCCCNCC(=O)OC 2230a_100000206027_100000747449 [0,0,0,0,0,0|3,0,1]=4 769 B13R0.147 COCCOCCCNCC(=O)OC 34a_100000206027_100000747449 [0,0,0,0,0,0|3,0,1]=4 770 B13R0.147 COCCOCCCSCC(=O)OC 62a_100000747449_100011216529 [0,0,0,0,0,0|3,0,1]=4 771 B13R0.147 COCCOCCCSCC(=O)OC 62a_100011216529_100000747449 [0,0,0,0,0,0|3,0,1]=4 772 B13R0.147 COCCOCCNCCC(=O)OC 2230a_100000745349_100000204255 [0,0,0,0,0,0|3,0,1]=4 773 B13R0.147 COCCOCCNCCC(=O)OC 34a_100000745349_100000742370 [0,0,0,0,0,0|3,0,1]=4 774 B13R0.147 COCCOCCOCCC(=O)OC 34a_100010982084_200000210301 [0,0,0,0,0,0|3,0,1]=4 775 B13R0.147 COCCOCCOCCC(=O)OC 34a_100011215163_100000742370 [0,0,0,0,0,0|3,0,1]=4 776 B13R0.147 COCCOCCOCCC(=O)OC 7a_100010982084_200000210301 [0,0,0,0,0,0|3,0,1]=4 777 B13R0.147 COCCOCCOCCC(=O)OC 7a_100011215163_100000204255 [0,0,0,0,0,0|3,0,1]=4 778 B13R0.147 COCCOCCSCCC(=O)OC 62a_100000204255_100000695917 [0,0,0,0,0,0|3,0,1]=4 779 B13R0.147 COCCOCCSCCC(=O)OC 62a_100000695917_100000204255 [0,0,0,0,0,0|3,0,1]=4 780 B13R0.147 COCCOCSCCCC(=O)OC 62a_100000231047_100011218270 [0,0,0,0,0,0|3,0,1]=4 781 B13R0.147 COCCOCSCCCC(=O)OC 62a_100011218270_100000231047 [0,0,0,0,0,0|3,0,1]=4 782 B13R0.147 COCCSCCCCCC(=O)OC 62a_100000233755_100009816466 [0,0,0,0,0,0|2,0,1]=3 783 B13R0.147 COCCSCCCCCC(=O)OC 62a_100009816466_100000233755 [0,0,0,0,0,0|2,0,1]=3 784 B13R0.147 COCSCCCCCCC(=O)OC 62a_100000766300_100009815986 [0,0,0,0,0,0|2,0,1]=3 785 B13R0.147 COCSCCCCCCC(=O)OC 62a_100009815986_100000766300 [0,0,0,0,0,0|2,0,1]=3 786 B13R0.147 O=C(CF)CCCCCCCCCF 1458a_200009909015_100015361967 [0,0,0,0,0,0|3,0,1]=4 787 B13R0.147 O=C(CO)CCCCCCCCCO 1458a_100000210174_100009813782 [0,0,0,0,0,0|3,0,1]=4 788 B12R0.5 C#CCCCCCCCCCOC 34a_100000034437_200000210301 [1,0,0,0,0,0|0,0,3]=4 789 B12R0.5 C#CCCCCCCCCCOC 7a_100000034437_200000210301 [1,0,0,0,0,0|0,0,3]=4 790 B12R0.5 C#CCCCCCCCCCO[13CH3] 34a_100000034437_200025704644 [1,0,0,0,0,0|0,0,3]=4 791 B12R0.5 C#CCCCCCCCCCO[13CH3] 7a_100000034437_200025704644 [1,0,0,0,0,0|0,0,3]=4 792 B12R0.5 C=CCCCCCCCCCNC 2230a_100000081888_200000210301 [1,0,0,0,0,0|1,0,1]=3 793 B12R0.5 C=CCCCCCCCCCNC 2230a_106832991635_100009814027 [1,0,0,0,0,0|1,0,1]=3 794 B12R0.5 C=CCCCCCCCCCNC 34a_100000081888_200000210301 [1,0,0,0,0,0|1,0,1]=3 795 B12R0.5 C=CCCCCCCCCCNC 34a_100102657272_100009814027 [1,0,0,0,0,0|1,0,1]=3 796 B12R0.5 C=CCCCCCCCCCNC 7a_106832991635_100009814027 [1,0,0,0,0,0|1,0,1]=3 797 B12R0.5 C=CCCCCCCCCCN[13CH3] 2230a_100000081888_200025704644 [1,0,0,0,0,0|1,0,1]=3 798 B12R0.5 C=CCCCCCCCCCN[13CH3] 34a_100000081888_200025704644 [1,0,0,0,0,0|1,0,1]=3 799 B12R0.5 C=CCCCCCCCCCOC 34a_100000038209_200000210301 [1,0,0,0,0,0|0,0,1]=2 800 B12R0.5 C=CCCCCCCCCCOC 34a_100138415774_100009814027 [1,0,0,0,0,0|0,0,1]=2 801 B12R0.5 C=CCCCCCCCCCOC 7a_100000038209_200000210301 [1,0,0,0,0,0|0,0,1]=2 802 B12R0.5 C=CCCCCCCCCCO[13CH3] 34a_100000038209_200025704644 [1,0,0,0,0,0|0,0,1]=2 803 B12R0.5 C=CCCCCCCCCCO[13CH3] 7a_100000038209_200025704644 [1,0,0,0,0,0|0,0,1]=2 804 B12R0.5 C=CCCCCCCCCCSC 62a_100009814027_200000210301 [1,0,0,0,0,0|0,1,1]=3 805 B12R0.5 C=CCCCCCCCCCSC 62a_200000210301_100009814027 [1,0,0,0,0,0|0,1,1]=3 806 B12R0.5 C=CCCCCCCCCCS[13CH3] 62a_100009814027_200025704644 [1,0,0,0,0,0|0,1,1]=3 807 B12R0.5 C=CCCCCCCCCCS[13CH3] 62a_200025704644_100009814027 [1,0,0,0,0,0|0,1,1]=3 808 B12R0.5 C=CCCCCCCCCNCC 2230a_100015525214_100011933949 [1,0,0,0,0,0|2,0,0]=3 809 B12R0.5 C=CCCCCCCCCOCC 34a_100011215194_100000210202 [1,0,0,0,0,0|2,0,0]=3 810 B12R0.5 C=CCCCCCCCCOCC 34a_100121572206_100011933949 [1,0,0,0,0,0|2,0,0]=3 811 B12R0.5 C=CCCCCCCCCOCC 7a_100011215194_100000210202 [1,0,0,0,0,0|2,0,0]=3 812 B12R0.5 C=CCCCCCCCCOCF 34a_100011215194_100015361967 [1,0,0,0,0,0|3,0,0]=4 813 B12R0.5 C=CCCCCCCCCOCF 7a_100011215194_100015361967 [1,0,0,0,0,0|3,0,0]=4 814 B12R0.5 C=CCCCCCCCCSCC 62a_100000210202_100011933949 [1,0,0,0,0,0|2,0,0]=3 815 B12R0.5 C=CCCCCCCCCSCC 62a_100011933949_100000210202 [1,0,0,0,0,0|2,0,0]=3 816 B12R0.5 C=CCCCCCCCCSCF 62a_100011933949_100015361967 [1,0,0,0,0,0|3,0,0]=4 817 B12R0.5 C=CCCCCCCCCSCF 62a_100015361967_100011933949 [1,0,0,0,0,0|3,0,0]=4 818 B12R0.5 C=CCCCCCCCOCCC 34a_100000210258_100012355270 [1,0,0,0,0,0|2,0,1]=4 819 B12R0.5 C=CCCCCCCCOCCC 34a_100000730831_100000210303 [1,0,0,0,0,0|2,0,1]=4 820 B12R0.5 C=CCCCCCCCOCCC 7a_100000730831_100000210303 [1,0,0,0,0,0|2,0,1]=4 821 B12R0.5 C=CCCCCCCCOCSC 34a_100000730831_100011218213 [1,0,0,0,0,0|1,1,1]=4 822 B12R0.5 C=CCCCCCCCSCCC 62a_100000210303_100012355270 [1,0,0,0,0,0|2,0,1]=4 823 B12R0.5 C=CCCCCCCCSCCC 62a_100012355270_100000210303 [1,0,0,0,0,0|2,0,1]=4 824 B12R0.5 C=CCCCCCCCSCOC 62a_100000766300_100012355270 [1,0,0,0,0,0|1,0,1]=3 825 B12R0.5 C=CCCCCCCCSCOC 62a_100012355270_100000766300 [1,0,0,0,0,0|1,0,1]=3 826 B12R0.5 C=CCCCCCCCSCSC 62a_100011218213_100012355270 [1,0,0,0,0,0|1,1,1]=4 827 B12R0.5 C=CCCCCCCCSCSC 62a_100012355270_100011218213 [1,0,0,0,0,0|1,1,1]=4 828 B12R0.5 C=CCCCCCCNCC#CC 2230a_100000685387_100011215473 [1,0,0,0,0,0|2,0,1]=4 829 B12R0.5 C=CCCCCCCNCC#CC 34a_100000685387_100011215473 [1,0,0,0,0,0|2,0,1]=4 830 B12R0.5 C=CCCCCCCNCCCC 2230a_100000102301_100011215473 [1,0,0,0,0,0|2,0,1]=4 831 B12R0.5 C=CCCCCCCNCCCC 7a_106832991798_100011215473 [1,0,0,0,0,0|2,0,1]=4 832 B12R0.5 C=CCCCCCCNCCOC 2230a_100000209980_100011215473 [1,0,0,0,0,0|1,0,1]=3 833 B12R0.5 C=CCCCCCCNCCSC 2230a_100020590264_100011215473 [1,0,0,0,0,0|1,1,1]=4 834 B12R0.5 C=CCCCCCCOC/C=C/C 34a_100016270725_100011215473 [1,0,0,0,0,0|2,0,0]=3 835 B12R0.5 C=CCCCCCCOC/C=C/C 34a_200011216477_100102629194 [1,0,0,0,0,0|2,0,0]=3 836 B12R0.5 C=CCCCCCCOC/C=C/C 7a_200011216477_100102629194 [1,0,0,0,0,0|2,0,0]=3 837 B12R0.5 C=CCCCCCCOCC#CC 34a_100000761923_100011215473 [1,0,0,0,0,0|2,0,1]=4 838 B12R0.5 C=CCCCCCCOCC#CC 34a_200011216477_100000748600 [1,0,0,0,0,0|2,0,1]=4 839 B12R0.5 C=CCCCCCCOCC#CC 7a_200011216477_100000748600 [1,0,0,0,0,0|2,0,1]=4 840 B12R0.5 C=CCCCCCCOCC=CC 34a_200011216477_100000070051 [1,0,0,0,0,0|2,0,0]=3 841 B12R0.5 C=CCCCCCCOCC=CC 7a_200011216477_100000070051 [1,0,0,0,0,0|2,0,0]=3 842 B12R0.5 C=CCCCCCCOCCCC 34a_100000210227_100011215473 [1,0,0,0,0,0|2,0,1]=4 843 B12R0.5 C=CCCCCCCOCCCC 34a_200011216477_100000210210 [1,0,0,0,0,0|2,0,1]=4 844 B12R0.5 C=CCCCCCCOCCCC 7a_100000210227_100011215473 [1,0,0,0,0,0|2,0,1]=4 845 B12R0.5 C=CCCCCCCOCCCC 7a_200011216477_100000210211 [1,0,0,0,0,0|2,0,1]=4 846 B12R0.5 C=CCCCCCCOCCOC 34a_100000210237_100011215473 [1,0,0,0,0,0|1,0,1]=3 847 B12R0.5 C=CCCCCCCOCCOC 34a_200011216477_100011201679 [1,0,0,0,0,0|1,0,1]=3 848 B12R0.5 C=CCCCCCCOCCOC 7a_200011216477_100000233755 [1,0,0,0,0,0|1,0,1]=3 849 B12R0.5 C=CCCCCCCOCCON 34a_100000700252_100011215473 [1,0,0,0,0,0|2,0,1]=4 850 B12R0.5 C=CCCCCCCOCCSC 34a_100000230434_100011215473 [1,0,0,0,0,0|1,1,1]=4 851 B12R0.5 C=CCCCCCCOCCSC 34a_200011216477_100000212216 [1,0,0,0,0,0|1,1,1]=4 852 B12R0.5 C=CCCCCCCOCCSC 7a_100000230434_100011215473 [1,0,0,0,0,0|1,1,1]=4 853 B12R0.5 C=CCCCCCCOCCSC 7a_200011216477_100000212216 [1,0,0,0,0,0|1,1,1]=4 854 B12R0.5 C=CCCCCCCSC/C=C/C 62a_100011215473_100102629194 [1,0,0,0,0,0|2,0,0]=3 855 B12R0.5 C=CCCCCCCSC/C=C/C 62a_100102629194_100011215473 [1,0,0,0,0,0|2,0,0]=3 856 B12R0.5 C=CCCCCCCSCC#CC 62a_100000748600_100011215473 [1,0,0,0,0,0|2,0,1]=4 857 B12R0.5 C=CCCCCCCSCC#CC 62a_100011215473_100000748600 [1,0,0,0,0,0|2,0,1]=4 858 B12R0.5 C=CCCCCCCSCC=CC 62a_100000070051_100011215473 [1,0,0,0,0,0|2,0,0]=3 859 B12R0.5 C=CCCCCCCSCC=CC 62a_100011215473_100000070051 [1,0,0,0,0,0|2,0,0]=3 860 B12R0.5 C=CCCCCCCSCCCC 62a_100000210211_100011215473 [1,0,0,0,0,0|2,0,1]=4 861 B12R0.5 C=CCCCCCCSCCCC 62a_100011215473_100000210210 [1,0,0,0,0,0|2,0,1]=4 862 B12R0.5 C=CCCCCCCSCCOC 62a_100000233755_100011215473 [1,0,0,0,0,0|1,0,1]=3 863 B12R0.5 C=CCCCCCCSCCOC 62a_100011215473_100000233755 [1,0,0,0,0,0|1,0,1]=3 864 B12R0.5 C=CCCCCCCSCCSC 62a_100000212216_100011215473 [1,0,0,0,0,0|1,1,1]=4 865 B12R0.5 C=CCCCCCCSCCSC 62a_100011215473_100000751147 [1,0,0,0,0,0|1,1,1]=4 866 B12R0.5 C=CCCCCCCSCOCC 62a_100000739092_100011215473 [1,0,0,0,0,0|3,0,0]=4 867 B12R0.5 C=CCCCCCCSCOCC 62a_100011215473_100000739092 [1,0,0,0,0,0|3,0,0]=4 868 B12R0.5 C=CCCCCCNCCCCC 2230a_100000209983_100000700193 [1,0,0,0,0,0|2,0,1]=4 869 B12R0.5 C=CCCCCCNCCCOC 34a_100150723488_100000700193 [1,0,0,0,0,0|1,0,1]=3 870 B12R0.5 C=CCCCCCNCCCSC 2230a_100000749238_100000700193 [1,0,0,0,0,0|1,1,1]=4 871 B12R0.5 C=CCCCCCNCCOCC 2230a_102516460346_100000700193 [1,0,0,0,0,0|3,0,0]=4 872 B12R0.5 C=CCCCCCNCCOCC 34a_102516460346_100000700193 [1,0,0,0,0,0|3,0,0]=4 873 B12R0.5 C=CCCCCCNCCSCC 2230a_100000106463_100000700193 [1,0,0,0,0,0|3,0,0]=4 874 B12R0.5 C=CCCCCCOC/C=C\CC 34a_100011216702_100103147603 [1,0,0,0,0,0|2,0,1]=4 875 B12R0.5 C=CCCCCCOC/C=C\CC 34a_100016268518_100000700193 [1,0,0,0,0,0|2,0,1]=4 876 B12R0.5 C=CCCCCCOC/C=C\CC 7a_100011216702_100103147603 [1,0,0,0,0,0|2,0,1]=4 877 B12R0.5 C=CCCCCCOCC/C=C/C 34a_100016278192_100000700193 [1,0,0,0,0,0|2,0,0]=3 878 B12R0.5 C=CCCCCCOCCC#CC 34a_100000750427_100000700193 [1,0,0,0,0,0|2,0,1]=4 879 B12R0.5 C=CCCCCCOCCCCC 34a_100000210253_100000700193 [1,0,0,0,0,0|2,0,1]=4 880 B12R0.5 C=CCCCCCOCCCCC 34a_100011216702_100000718602 [1,0,0,0,0,0|2,0,1]=4 881 B12R0.5 C=CCCCCCOCCCCC 7a_100000210253_100000700193 [1,0,0,0,0,0|2,0,1]=4 882 B12R0.5 C=CCCCCCOCCCCC 7a_100011216702_100000210326 [1,0,0,0,0,0|2,0,1]=4 883 B12R0.5 C=CCCCCCOCCCNC 34a_100000213112_100000700193 [1,0,0,0,0,0|2,0,1]=4 884 B12R0.5 C=CCCCCCOCCCOC 34a_100000740835_100000700193 [1,0,0,0,0,0|1,0,1]=3 885 B12R0.5 C=CCCCCCOCCCOC 34a_100011216702_100000740836 [1,0,0,0,0,0|1,0,1]=3 886 B12R0.5 C=CCCCCCOCCCOC 7a_100011216702_100000740836 [1,0,0,0,0,0|1,0,1]=3 887 B12R0.5 C=CCCCCCOCCCSC 34a_100000690336_100000700193 [1,0,0,0,0,0|1,1,1]=4 888 B12R0.5 C=CCCCCCOCCCSC 7a_100000690336_100000700193 [1,0,0,0,0,0|1,1,1]=4 889 B12R0.5 C=CCCCCCOCCOCC 34a_100000210136_100000700193 [1,0,0,0,0,0|3,0,0]=4 890 B12R0.5 C=CCCCCCOCCOCC 34a_100011216702_100000210147 [1,0,0,0,0,0|3,0,0]=4 891 B12R0.5 C=CCCCCCOCCOCC 7a_100000210136_100000700193 [1,0,0,0,0,0|3,0,0]=4 892 B12R0.5 C=CCCCCCOCCOCC 7a_100011216702_100011215890 [1,0,0,0,0,0|3,0,0]=4 893 B12R0.5 C=CCCCCCOCCSCC 34a_100000212035_100000700193 [1,0,0,0,0,0|3,0,0]=4 894 B12R0.5 C=CCCCCCOCCSCC 34a_100011216702_100000757381 [1,0,0,0,0,0|3,0,0]=4 895 B12R0.5 C=CCCCCCOCCSCC 7a_100000212035_100000700193 [1,0,0,0,0,0|3,0,0]=4 896 B12R0.5 C=CCCCCCOCCSCC 7a_100011216702_100000757381 [1,0,0,0,0,0|3,0,0]=4 897 B12R0.5 C=CCCCCCSC/C=C\CC 62a_100000700193_100103147603 [1,0,0,0,0,0|2,0,1]=4 898 B12R0.5 C=CCCCCCSC/C=C\CC 62a_100103147603_100000700193 [1,0,0,0,0,0|2,0,1]=4 899 B12R0.5 C=CCCCCCSCCCCC 62a_100000210326_100000700193 [1,0,0,0,0,0|2,0,1]=4 900 B12R0.5 C=CCCCCCSCCCCC 62a_100000700193_100000210326 [1,0,0,0,0,0|2,0,1]=4 901 B12R0.5 C=CCCCCCSCCCOC 62a_100000700193_100000709357 [1,0,0,0,0,0|1,0,1]=3 902 B12R0.5 C=CCCCCCSCCCOC 62a_100000709357_100000700193 [1,0,0,0,0,0|1,0,1]=3 903 B12R0.5 C=CCCCCCSCCOCC 62a_100000210147_100000700193 [1,0,0,0,0,0|3,0,0]=4 904 B12R0.5 C=CCCCCCSCCOCC 62a_100000700193_100011215890 [1,0,0,0,0,0|3,0,0]=4 905 B12R0.5 C=CCCCCCSCCSCC 62a_100000700193_100000757381 [1,0,0,0,0,0|3,0,0]=4 906 B12R0.5 C=CCCCCCSCCSCC 62a_100000757381_100000700193 [1,0,0,0,0,0|3,0,0]=4 907 B12R0.5 C=CCCCCNCC/C=C\CC 2230a_100000703577_100015370543 [1,0,0,0,0,0|2,0,1]=4 908 B12R0.5 C=CCCCCNCC/C=C\CC 34a_100000703577_100015370543 [1,0,0,0,0,0|2,0,1]=4 909 B12R0.5 C=CCCCCNCCCCCC 2230a_100000210581_100011215482 [1,0,0,0,0,0|2,0,1]=4 910 B12R0.5 C=CCCCCNCCCCCC 2230a_100000703577_100000210314 [1,0,0,0,0,0|2,0,1]=4 911 B12R0.5 C=CCCCCNCCCCCC 34a_100000703577_100000210314 [1,0,0,0,0,0|2,0,1]=4 912 B12R0.5 C=CCCCCNCCCCOC 2230a_100000703577_100000730899 [1,0,0,0,0,0|1,0,1]=3 913 B12R0.5 C=CCCCCNCCCCOC 34a_100000703577_100000755781 [1,0,0,0,0,0|1,0,1]=3 914 B12R0.5 C=CCCCCNCCCOCC 2230a_100000210961_100011215482 [1,0,0,0,0,0|3,0,0]=4 915 B12R0.5 C=CCCCCNCCCOCC 2230a_100000703577_100012232248 [1,0,0,0,0,0|3,0,0]=4 916 B12R0.5 C=CCCCCNCCCOCC 34a_100000210961_100011215482 [1,0,0,0,0,0|3,0,0]=4 917 B12R0.5 C=CCCCCNCCCOCC 34a_100000703577_100012232248 [1,0,0,0,0,0|3,0,0]=4 918 B12R0.5 C=CCCCCNCOCCOC 2230a_100000703577_100000231047 [1,0,0,0,0,0|2,0,1]=4 919 B12R0.5 C=CCCCCOCC/C=C\CC 34a_100000766645_100015370543 [1,0,0,0,0,0|2,0,1]=4 920 B12R0.5 C=CCCCCOCC/C=C\CC 34a_100016288707_100011215482 [1,0,0,0,0,0|2,0,1]=4 921 B12R0.5 C=CCCCCOCC/C=C\CC 7a_100000766645_100015370543 [1,0,0,0,0,0|2,0,1]=4 922 B12R0.5 C=CCCCCOCC/C=C\CC 7a_100016288707_100011215482 [1,0,0,0,0,0|2,0,1]=4 923 B12R0.5 C=CCCCCOCCCC=CC 34a_100020645299_100011215482 [1,0,0,0,0,0|2,0,0]=3 924 B12R0.5 C=CCCCCOCCCCCC 34a_100000210259_100011215482 [1,0,0,0,0,0|2,0,1]=4 925 B12R0.5 C=CCCCCOCCCCCC 34a_100000766645_100000210314 [1,0,0,0,0,0|2,0,1]=4 926 B12R0.5 C=CCCCCOCCCCCC 7a_100000210259_100011215482 [1,0,0,0,0,0|2,0,1]=4 927 B12R0.5 C=CCCCCOCCCCCC 7a_100000766645_100000210314 [1,0,0,0,0,0|2,0,1]=4 928 B12R0.5 C=CCCCCOCCCCOC 34a_100000740925_100011215482 [1,0,0,0,0,0|1,0,1]=3 929 B12R0.5 C=CCCCCOCCCCOC 34a_100000766645_100000755781 [1,0,0,0,0,0|1,0,1]=3 930 B12R0.5 C=CCCCCOCCCCOC 7a_100000766645_100000730899 [1,0,0,0,0,0|1,0,1]=3 931 B12R0.5 C=CCCCCOCCCCSC 34a_100011217163_100011215482 [1,0,0,0,0,0|1,1,1]=4 932 B12R0.5 C=CCCCCOCCCCSC 7a_100011217163_100011215482 [1,0,0,0,0,0|1,1,1]=4 933 B12R0.5 C=CCCCCOCCCOCC 34a_100000757476_100011215482 [1,0,0,0,0,0|3,0,0]=4 934 B12R0.5 C=CCCCCOCCCOCC 34a_100000766645_100012232248 [1,0,0,0,0,0|3,0,0]=4 935 B12R0.5 C=CCCCCOCCCOCC 7a_100000757476_100011215482 [1,0,0,0,0,0|3,0,0]=4 936 B12R0.5 C=CCCCCOCCCOCC 7a_100000766645_100012232248 [1,0,0,0,0,0|3,0,0]=4 937 B12R0.5 C=CCCCCOCCCSCC 34a_100011216438_100011215482 [1,0,0,0,0,0|3,0,0]=4 938 B12R0.5 C=CCCCCOCCCSCC 7a_100011216438_100011215482 [1,0,0,0,0,0|3,0,0]=4 939 B12R0.5 C=CCCCCSCC/C=C\CC 62a_100011215482_100015370543 [1,0,0,0,0,0|2,0,1]=4 940 B12R0.5 C=CCCCCSCC/C=C\CC 62a_100015370543_100011215482 [1,0,0,0,0,0|2,0,1]=4 941 B12R0.5 C=CCCCCSCCCCCC 62a_100000210314_100011215482 [1,0,0,0,0,0|2,0,1]=4 942 B12R0.5 C=CCCCCSCCCCCC 62a_100011215482_100000210757 [1,0,0,0,0,0|2,0,1]=4 943 B12R0.5 C=CCCCCSCCCCOC 62a_100000730899_100011215482 [1,0,0,0,0,0|1,0,1]=3 944 B12R0.5 C=CCCCCSCCCCOC 62a_100011215482_100000730899 [1,0,0,0,0,0|1,0,1]=3 945 B12R0.5 C=CCCCCSCCCOCC 62a_100011215482_100012232248 [1,0,0,0,0,0|3,0,0]=4 946 B12R0.5 C=CCCCCSCCCOCC 62a_100012232248_100011215482 [1,0,0,0,0,0|3,0,0]=4 947 B12R0.5 C=CCCCCSCOCCOC 62a_100000231047_100011215482 [1,0,0,0,0,0|2,0,1]=4 948 B12R0.5 C=CCCCCSCOCCOC 62a_100011215482_100000231047 [1,0,0,0,0,0|2,0,1]=4 949 B12R0.5 C=CCCCNCCCCCCC 2230a_100000229938_100011713584 [1,0,0,0,0,0|2,0,1]=4 950 B12R0.5 C=CCCCNCCCCCCC 2230a_100000700776_100000210681 [1,0,0,0,0,0|2,0,1]=4 951 B12R0.5 C=CCCCNCCCCCCC 34a_100000700776_100000210614 [1,0,0,0,0,0|2,0,1]=4 952 B12R0.5 C=CCCCNCCCCCOC 2230a_100000747528_100011713584 [1,0,0,0,0,0|1,0,1]=3 953 B12R0.5 C=CCCCNCCCCCOC 34a_100000747528_100000757094 [1,0,0,0,0,0|1,0,1]=3 954 B12R0.5 C=CCCCNCCOCCOC 2230a_100000700776_100000695917 [1,0,0,0,0,0|2,0,1]=4 955 B12R0.5 C=CCCCNCCOCCOC 2230a_100000745349_100011713584 [1,0,0,0,0,0|2,0,1]=4 956 B12R0.5 C=CCCCNCCOCCOC 34a_100000700776_100000695917 [1,0,0,0,0,0|2,0,1]=4 957 B12R0.5 C=CCCCNCCOCCOC 34a_100000745349_100000757094 [1,0,0,0,0,0|2,0,1]=4 958 B12R0.5 C=CCCCOCCC/C=C/CC 34a_100016287902_100000757094 [1,0,0,0,0,0|2,0,1]=4 959 B12R0.5 C=CCCCOCCC/C=C/CC 7a_100016287902_100000757094 [1,0,0,0,0,0|2,0,1]=4 960 B12R0.5 C=CCCCOCCCCCCC 34a_100000210272_100000757094 [1,0,0,0,0,0|2,0,1]=4 961 B12R0.5 C=CCCCOCCCCCCC 34a_100000758997_100000210614 [1,0,0,0,0,0|2,0,1]=4 962 B12R0.5 C=CCCCOCCCCCCC 7a_100000210272_100000757094 [1,0,0,0,0,0|2,0,1]=4 963 B12R0.5 C=CCCCOCCCCCCC 7a_100000758997_100000210614 [1,0,0,0,0,0|2,0,1]=4 964 B12R0.5 C=CCCCOCCCCCNC 34a_100000722520_100000757094 [1,0,0,0,0,0|2,0,1]=4 965 B12R0.5 C=CCCCOCCOCCOC 34a_100000758997_100000695917 [1,0,0,0,0,0|2,0,1]=4 966 B12R0.5 C=CCCCOCCOCCOC 34a_100011215163_100000757094 [1,0,0,0,0,0|2,0,1]=4 967 B12R0.5 C=CCCCOCCOCCOC 7a_100000758997_100000695917 [1,0,0,0,0,0|2,0,1]=4 968 B12R0.5 C=CCCCOCCOCCOC 7a_100011215163_100000757094 [1,0,0,0,0,0|2,0,1]=4 969 B12R0.5 C=CCCCSCCCCCCC 62a_100000210614_100000757094 [1,0,0,0,0,0|2,0,1]=4 970 B12R0.5 C=CCCCSCCCCCCC 62a_100011713584_100000210316 [1,0,0,0,0,0|2,0,1]=4 971 B12R0.5 C=CCCCSCCOCCOC 62a_100000695917_100000757094 [1,0,0,0,0,0|2,0,1]=4 972 B12R0.5 C=CCCCSCCOCCOC 62a_100011713584_100000695917 [1,0,0,0,0,0|2,0,1]=4 973 B12R0.5 C=CCCNCCCCCCCC 2230a_100000229939_100000754431 [1,0,0,0,0,0|2,0,1]=4 974 B12R0.5 C=CCCNCCCCCCCC 2230a_100015191253_100000210759 [1,0,0,0,0,0|2,0,1]=4 975 B12R0.5 C=CCCNCCCCCCCC 34a_100000229939_100000754431 [1,0,0,0,0,0|2,0,1]=4 976 B12R0.5 C=CCCNCCCCCCOC 2230a_100015191253_100011998445 [1,0,0,0,0,0|1,0,1]=3 977 B12R0.5 C=CCCNCCCOCCOC 2230a_100000206027_100000754431 [1,0,0,0,0,0|2,0,1]=4 978 B12R0.5 C=CCCNCCCOCCOC 2230a_100015191253_100011216529 [1,0,0,0,0,0|2,0,1]=4 979 B12R0.5 C=CCCNCCCOCCOC 34a_100000206027_100000754431 [1,0,0,0,0,0|2,0,1]=4 980 B12R0.5 C=CCCOCCCC/C=C\CC 34a_100016287862_100000754431 [1,0,0,0,0,0|2,0,1]=4 981 B12R0.5 C=CCCOCCCC/C=C\CC 7a_100016287862_100000754431 [1,0,0,0,0,0|2,0,1]=4 982 B12R0.5 C=CCCOCCCCCCCC 34a_100000210232_100000754431 [1,0,0,0,0,0|2,0,1]=4 983 B12R0.5 C=CCCOCCCCCCCC 34a_100011205117_100000210759 [1,0,0,0,0,0|2,0,1]=4 984 B12R0.5 C=CCCOCCCCCCCC 7a_100000210232_100000754431 [1,0,0,0,0,0|2,0,1]=4 985 B12R0.5 C=CCCOCCCCCCOC 34a_100011205117_100011998445 [1,0,0,0,0,0|1,0,1]=3 986 B12R0.5 C=CCCOCCCCCCOC 34a_200012092642_100000754431 [1,0,0,0,0,0|1,0,1]=3 987 B12R0.5 C=CCCOCCCCCCOC 7a_200012092642_100000754431 [1,0,0,0,0,0|1,0,1]=3 988 B12R0.5 C=CCCOCCCOCCOC 34a_100011205117_100011216529 [1,0,0,0,0,0|2,0,1]=4 989 B12R0.5 C=CCCSCCCCCCCC 62a_100000210759_100000754431 [1,0,0,0,0,0|2,0,1]=4 990 B12R0.5 C=CCCSCCCCCCCC 62a_100000754431_100000210317 [1,0,0,0,0,0|2,0,1]=4 991 B12R0.5 C=CCCSCCCCCCOC 62a_100000754431_100011998445 [1,0,0,0,0,0|1,0,1]=3 992 B12R0.5 C=CCCSCCCCCCOC 62a_100011998445_100000754431 [1,0,0,0,0,0|1,0,1]=3 993 B12R0.5 C=CCCSCCCOCCOC 62a_100000754431_100011216529 [1,0,0,0,0,0|2,0,1]=4 994 B12R0.5 C=CCCSCCCOCCOC 62a_100011216529_100000754431 [1,0,0,0,0,0|2,0,1]=4 995 B12R0.5 C=CCNCCCCCCCCC 2230a_100000212291_100000210623 [1,0,0,0,0,0|2,0,1]=4 996 B12R0.5 C=CCNCCCCCCCCC 2230a_100020586998_100011214924 [1,0,0,0,0,0|2,0,1]=4 997 B12R0.5 C=CCNCCCCCCCCC 34a_100000212291_100015514636 [1,0,0,0,0,0|2,0,1]=4 998 B12R0.5 C=CCOCCCCC/C=C\CC 34a_100016268722_100015514636 [1,0,0,0,0,0|2,0,1]=4 999 B12R0.5 C=CCOCCCCC/C=C\CC 7a_100016268722_100015514636 [1,0,0,0,0,0|2,0,1]=4 1000 B12R0.5 C=CCOCCCCCCCCC 34a_100000210712_100015514636 [1,0,0,0,0,0|2,0,1]=4 1001 B12R0.5 C=CCOCCCCCCCCC 34a_200000210373_100011214924 [1,0,0,0,0,0|2,0,1]=4 1002 B12R0.5 C=CCOCCCCCCCCC 7a_100000210712_100015514636 [1,0,0,0,0,0|2,0,1]=4 1003 B12R0.5 C=CCOCCCOCCCOC 34a_200011215475_100015514636 [1,0,0,0,0,0|2,0,1]=4 1004 B12R0.5 C=CCOCCCOCCCOC 7a_200011215475_100015514636 [1,0,0,0,0,0|2,0,1]=4 1005 B12R0.5 C=CCOCCOCCCCOC 34a_100000037705_100000755781 [1,0,0,0,0,0|2,0,1]=4 1006 B12R0.5 C=CCOCCOCCCCOC 7a_100000037705_100000730899 [1,0,0,0,0,0|2,0,1]=4 1007 B12R0.5 C=CCSCCCCCCCCC 62a_100000210623_100000210670 [1,0,0,0,0,0|2,0,1]=4 1008 B12R0.5 C=COCCCCOCCCOC 34a_100000031558_100000740836 [1,0,0,0,0,0|2,0,1]=4 1009 B12R0.5 C=COCCCCOCCCOC 7a_100000031558_100000740836 [1,0,0,0,0,0|2,0,1]=4 1010 B12R0.5 C=COCCCNCCCCOC 2230a_100000210767_100000730899 [1,0,0,0,0,0|2,0,1]=4 1011 B12R0.5 C=COCCCNCCCCOC 34a_100000210767_100000755781 [1,0,0,0,0,0|2,0,1]=4 1012 B12R0.5 C=COCCNCCCCCOC 2230a_100000747528_100000039644 [1,0,0,0,0,0|2,0,1]=4 1013 B12R0.5 C=COCCNCCCCCOC 34a_100000747528_100000039644 [1,0,0,0,0,0|2,0,1]=4 1014 B12R0.5 CCCCCCCCCCCOC 34a_100000210809_200000210301 [1,0,0,0,0,0|0,0,3]=4 1015 B12R0.5 CCCCCCCCCCCOC 34a_100138415774_100011215454 [1,0,0,0,0,0|0,0,3]=4 1016 B12R0.5 CCCCCCCCCCCOC 7a_100000210809_200000210301 [1,0,0,0,0,0|0,0,3]=4 1017 B12R0.5 CCCCCCCCCCCO[13CH3] 34a_100000210809_200025704644 [1,0,0,0,0,0|0,0,3]=4 1018 B12R0.5 CCCCCCCCCCCO[13CH3] 7a_100000210809_200025704644 [1,0,0,0,0,0|0,0,3]=4 1019 B12R0.5 COCCCCCCCCCCBr 34a_100009813290_200000210301 [1,0,0,0,0,0|1,0,2]=4 1020 B12R0.5 COCCCCCCCCCCBr 7a_100009813290_200000210301 [1,0,0,0,0,0|1,0,2]=4 1021 B12R0.5 COCCCCCCCCCCCl 34a_200000033068_200000210301 [1,0,0,0,0,0|1,0,2]=4 1022 B12R0.5 COCCCCCCCCCCCl 7a_200000033068_200000210301 [1,0,0,0,0,0|1,0,2]=4 1023 B12R0.5 COCCCCCCCCCCN 34a_100000066964_200000210301 [1,0,0,0,0,0|1,0,2]=4 1024 B12R0.5 COCCCCCCCCCCO 34a_100138415774_100009813290 [1,0,0,0,0,0|1,0,2]=4 1025 B12R0.5 COCCCCCNCCCC=O 2230a_100000747528_200011292268 [1,0,0,0,0,0|2,0,1]=4 1026 B12R0.5 COCCCCSCCCCC=O 62a_100000139335_100000730899 [1,0,0,0,0,0|2,0,1]=4 1027 B12R0.5 COCCCCSCCCCC=O 62a_100000730899_100000139335 [1,0,0,0,0,0|2,0,1]=4 1028 B12R0.5 COCCCSCCCCCC=O 62a_100000139337_100000709357 [1,0,0,0,0,0|2,0,1]=4 1029 B12R0.5 COCCCSCCCCCC=O 62a_100000709357_100000139337 [1,0,0,0,0,0|2,0,1]=4 1030 B12R0.5 [13CH3]OCCCCCCCCCCBr 34a_100009813290_200025704644 [1,0,0,0,0,0|1,0,2]=4 1031 B12R0.5 [13CH3]OCCCCCCCCCCBr 7a_100009813290_200025704644 [1,0,0,0,0,0|1,0,2]=4 1032 B12R0.5 [13CH3]OCCCCCCCCCCCl 34a_200000033068_200025704644 [1,0,0,0,0,0|1,0,2]=4 1033 B12R0.5 [13CH3]OCCCCCCCCCCCl 7a_200000033068_200025704644 [1,0,0,0,0,0|1,0,2]=4 1034 B12R0.5 [13CH3]OCCCCCCCCCCN 34a_100000066964_200025704644 [1,0,0,0,0,0|1,0,2]=4 1035 B12R0.234 C#CCCCCCCCCC(=O)C 1458a_100000029693_200000210301 [1,0,0,0,0,0|0,0,2]=3 1036 B12R0.234 C#CCCCCCCCCC(=O)[13CH3] 1458a_100000029693_200025704644 [1,0,0,0,0,0|0,0,2]=3 1037 B12R0.234 C#CCCCCCCNCC(=O)O 269956a_100016091260_100012276617 [1,0,0,0,0,0|1,0,2]=4 1038 B12R0.234 C#CCCCCCCOCC(=O)C 34a_100000211253_100012276617 [1,0,0,0,0,0|1,0,2]=4 1039 B12R0.234 C#CCCCCCOCCC(=O)C 34a_100000759926_100012094781 [1,0,0,0,0,0|1,0,2]=4 1040 B12R0.234 C#CCCCCCOCCC(=O)C 7a_100000759926_100012094781 [1,0,0,0,0,0|1,0,2]=4 1041 B12R0.234 C#CCCCCCOCCC(=O)C 7a_100000766912_100000053229 [1,0,0,0,0,0|1,0,2]=4 1042 B12R0.234 C#CCCCCCSCCC(=O)C 62a_100000053229_100012094781 [1,0,0,0,0,0|1,0,2]=4 1043 B12R0.234 C#CCCCCCSCCC(=O)C 62a_100012094781_100000053229 [1,0,0,0,0,0|1,0,2]=4 1044 B12R0.234 C#CCCCCNCCCC(=O)C 34a_100000706060_100000685027 [1,0,0,0,0,0|1,0,2]=4 1045 B12R0.234 C#CCCCCOCCCC(=O)C 34a_100000759063_100010269958 [1,0,0,0,0,0|1,0,2]=4 1046 B12R0.234 C#CCCCCOCCCC(=O)C 34a_100000766709_100000685027 [1,0,0,0,0,0|1,0,2]=4 1047 B12R0.234 C#CCCCCOCCCC(=O)C 7a_100000759063_100010269958 [1,0,0,0,0,0|1,0,2]=4 1048 B12R0.234 C#CCCCCOCCCC(=O)C 7a_100000766709_100011215641 [1,0,0,0,0,0|1,0,2]=4 1049 B12R0.234 C#CCCCCSCCCC(=O)C 62a_100010269958_100011215641 [1,0,0,0,0,0|1,0,2]=4 1050 B12R0.234 C#CCCCCSCCCC(=O)C 62a_100011215641_100010269958 [1,0,0,0,0,0|1,0,2]=4 1051 B12R0.234 C#CCCCNCCCCC(=O)C 34a_100000718082_100009817362 [1,0,0,0,0,0|1,0,2]=4 1052 B12R0.234 C#CCCCOCCCCC(=O)C 34a_100000215630_100009817362 [1,0,0,0,0,0|1,0,2]=4 1053 B12R0.234 C#CCCCOCCCCC(=O)C 7a_100000215630_100000735457 [1,0,0,0,0,0|1,0,2]=4 1054 B12R0.234 C#CCCCSCCCCC(=O)C 62a_100000735457_100011215417 [1,0,0,0,0,0|1,0,2]=4 1055 B12R0.234 C#CCCCSCCCCC(=O)C 62a_100011215417_100000735457 [1,0,0,0,0,0|1,0,2]=4 1056 B12R0.234 C/C=C/CCOCCCCC(=O)C 34a_100016278192_100009817362 [1,0,0,0,0,0|1,0,2]=4 1057 B12R0.234 C=C(C)CCSCCCCCC=O 62a_100000139337_100000730704 [1,0,0,0,0,0|3,0,0]=4 1058 B12R0.234 C=C(C)CCSCCCCCC=O 62a_100000730704_100000139337 [1,0,0,0,0,0|3,0,0]=4 1059 B12R0.234 C=CCCCCCCCCC(=O)C 1458a_100000070787_100011933949 [1,0,0,0,0,0|0,0,0]=1 1060 B12R0.234 C=CCCCCCCCCC(=O)C 1458a_100000211349_200000210301 [1,0,0,0,0,0|0,0,0]=1 1061 B12R0.234 C=CCCCCCCCCC(=O)[13CH3] 1458a_100000211349_200025704644 [1,0,0,0,0,0|0,0,0]=1 1062 B12R0.234 C=CCCCCCCCCN(C)C 2230a_100102631434_100011933949 [1,0,0,0,0,0|2,0,0]=3 1063 B12R0.234 C=CCCCCCCCCN(C)C 269982a_100102631434_100011933949 [1,0,0,0,0,0|2,0,0]=3 1064 B12R0.234 C=CCCCCCCCNC(C)C 2230a_100138425928_100012355270 [1,0,0,0,0,0|2,0,1]=4 1065 B12R0.234 C=CCCCCCCCNC(C)C 34a_100138425928_100012355270 [1,0,0,0,0,0|2,0,1]=4 1066 B12R0.234 C=CCCCCCCCOC(C)C 34a_100000212225_100012355270 [1,0,0,0,0,0|2,0,1]=4 1067 B12R0.234 C=CCCCCCCCOC(C)C 34a_100000730831_100000210206 [1,0,0,0,0,0|2,0,1]=4 1068 B12R0.234 C=CCCCCCCCOC(C)C 7a_100000730831_100000210206 [1,0,0,0,0,0|2,0,1]=4 1069 B12R0.234 C=CCCCCCCCSC(C)C 62a_100000210206_100012355270 [1,0,0,0,0,0|2,0,1]=4 1070 B12R0.234 C=CCCCCCCCSC(C)C 62a_100012355270_100000210206 [1,0,0,0,0,0|2,0,1]=4 1071 B12R0.234 C=CCCCCCCNCC(=O)N 2230a_100000711301_100011215473 [1,0,0,0,0,0|2,0,0]=3 1072 B12R0.234 C=CCCCCCCNCC(=O)O 269956a_100016091260_100011215473 [1,0,0,0,0,0|1,0,0]=2 1073 B12R0.234 C=CCCCCCCNCC(C)C 2230a_100000210953_100011215473 [1,0,0,0,0,0|2,0,1]=4 1074 B12R0.234 C=CCCCCCCNCC(C)C 34a_100000210953_100011215473 [1,0,0,0,0,0|2,0,1]=4 1075 B12R0.234 C=CCCCCCCNCC(C)O 2230a_100000210904_100011215473 [1,0,0,0,0,0|1,0,2]=4 1076 B12R0.234 C=CCCCCCCNCC(C)O 34a_100000210904_100011215473 [1,0,0,0,0,0|1,0,2]=4 1077 B12R0.234 C=CCCCCCCOCC(=C)C 34a_100000210245_100011215473 [1,0,0,0,0,0|2,0,0]=3 1078 B12R0.234 C=CCCCCCCOCC(=C)C 34a_200011216477_100000748629 [1,0,0,0,0,0|2,0,0]=3 1079 B12R0.234 C=CCCCCCCOCC(=C)C 7a_200011216477_100000748629 [1,0,0,0,0,0|2,0,0]=3 1080 B12R0.234 C=CCCCCCCOCC(=C)F 34a_200010262243_100011215473 [1,0,0,0,0,0|2,0,1]=4 1081 B12R0.234 C=CCCCCCCOCC(=C)F 34a_200011216477_100009893438 [1,0,0,0,0,0|2,0,1]=4 1082 B12R0.234 C=CCCCCCCOCC(=C)F 7a_200011216477_100000042424 [1,0,0,0,0,0|2,0,1]=4 1083 B12R0.234 C=CCCCCCCOCC(=O)C 34a_100000211253_100011215473 [1,0,0,0,0,0|1,0,0]=2 1084 B12R0.234 C=CCCCCCCOCC(=O)N 34a_200011216477_100000187820 [1,0,0,0,0,0|2,0,0]=3 1085 B12R0.234 C=CCCCCCCOCC(=O)N 7a_200011216477_100000187820 [1,0,0,0,0,0|2,0,0]=3 1086 B12R0.234 C=CCCCCCCOCC(=O)[O-] 34a_200011216477_100020667443 [1,0,0,0,0,0|1,0,1]=3 1087 B12R0.234 C=CCCCCCCOCC(C)Br 34a_100012180447_100011215473 [1,0,0,0,0,0|2,0,1]=4 1088 B12R0.234 C=CCCCCCCOCC(C)C 34a_100000210257_100011215473 [1,0,0,0,0,0|2,0,1]=4 1089 B12R0.234 C=CCCCCCCOCC(C)C 34a_200011216477_100000210624 [1,0,0,0,0,0|2,0,1]=4 1090 B12R0.234 C=CCCCCCCOCC(C)C 7a_200011216477_100000210760 [1,0,0,0,0,0|2,0,1]=4 1091 B12R0.234 C=CCCCCCCOCC(C)F 34a_100015925927_100011215473 [1,0,0,0,0,0|2,0,1]=4 1092 B12R0.234 C=CCCCCCCOCC(C)O 34a_200011216477_100011218427 [1,0,0,0,0,0|1,0,2]=4 1093 B12R0.234 C=CCCCCCCOCC(C)O 7a_200011216477_100011218427 [1,0,0,0,0,0|1,0,2]=4 1094 B12R0.234 C=CCCCCCCOC[C@@H](C)Cl 34a_100016084084_100011215473 [1,0,0,0,0,0|2,0,1]=4 1095 B12R0.234 C=CCCCCCCOC[C@@H](C)N 34a_100000737577_100011215473 [1,0,0,0,0,0|2,0,1]=4 1096 B12R0.234 C=CCCCCCCOC[C@@H](C)O 34a_200011216477_100009817552 [1,0,0,0,0,0|1,0,2]=4 1097 B12R0.234 C=CCCCCCCOC[C@@H](C)O 7a_200011216477_100009817552 [1,0,0,0,0,0|1,0,2]=4 1098 B12R0.234 C=CCCCCCCOC[N+](=O)[O-] 34a_200011216477_100000761209 [1,0,0,0,0,0|2,0,1]=4 1099 B12R0.234 C=CCCCCCCSCC(=C)C 62a_100000748629_100011215473 [1,0,0,0,0,0|2,0,0]=3 1100 B12R0.234 C=CCCCCCCSCC(=C)C 62a_100011215473_100000211660 [1,0,0,0,0,0|2,0,0]=3 1101 B12R0.234 C=CCCCCCCSCC(=C)F 62a_100000042424_100011215473 [1,0,0,0,0,0|2,0,1]=4 1102 B12R0.234 C=CCCCCCCSCC(=C)F 62a_100011215473_100000042424 [1,0,0,0,0,0|2,0,1]=4 1103 B12R0.234 C=CCCCCCCSCC(=O)N 62a_100000747473_100011215473 [1,0,0,0,0,0|2,0,0]=3 1104 B12R0.234 C=CCCCCCCSCC(=O)N 62a_100011215473_100000747473 [1,0,0,0,0,0|2,0,0]=3 1105 B12R0.234 C=CCCCCCCSCC(=O)[O-] 62a_100011215473_100020667443 [1,0,0,0,0,0|1,0,1]=3 1106 B12R0.234 C=CCCCCCCSCC(=O)[O-] 62a_100020667443_100011215473 [1,0,0,0,0,0|1,0,1]=3 1107 B12R0.234 C=CCCCCCCSCC(C)C 62a_100000210624_100011215473 [1,0,0,0,0,0|2,0,1]=4 1108 B12R0.234 C=CCCCCCCSCC(C)C 62a_100011215473_100000210760 [1,0,0,0,0,0|2,0,1]=4 1109 B12R0.234 C=CCCCCCCSCC(C)O 62a_100011215473_100011218427 [1,0,0,0,0,0|1,0,2]=4 1110 B12R0.234 C=CCCCCCCSCC(C)O 62a_100011218427_100011215473 [1,0,0,0,0,0|1,0,2]=4 1111 B12R0.234 C=CCCCCCCSC[C@@H](C)O 62a_100009817552_100011215473 [1,0,0,0,0,0|1,0,2]=4 1112 B12R0.234 C=CCCCCCCSC[C@@H](C)O 62a_100011215473_100009817552 [1,0,0,0,0,0|1,0,2]=4 1113 B12R0.234 C=CCCCCCCSC[N+](=O)[O-] 62a_100011215473_100000761209 [1,0,0,0,0,0|2,0,1]=4 1114 B12R0.234 C=CCCCCCNCC=C(C)C 34a_100000718196_100000700193 [1,0,0,0,0,0|2,0,1]=4 1115 B12R0.234 C=CCCCCCNCCC(C)O 2230a_200000755665_100000700193 [1,0,0,0,0,0|1,0,2]=4 1116 B12R0.234 C=CCCCCCNOCC(=O)O 269956a_100000106656_100000700193 [1,0,0,0,0,0|2,0,0]=3 1117 B12R0.234 C=CCCCCCOCC=C(C)C 34a_100000753907_100000700193 [1,0,0,0,0,0|2,0,1]=4 1118 B12R0.234 C=CCCCCCOCC=C(C)C 34a_100011216702_100000761012 [1,0,0,0,0,0|2,0,1]=4 1119 B12R0.234 C=CCCCCCOCC=C(C)C 7a_100011216702_100000761012 [1,0,0,0,0,0|2,0,1]=4 1120 B12R0.234 C=CCCCCCOCCC(=C)Br 34a_100009813270_100000700193 [1,0,0,0,0,0|2,0,1]=4 1121 B12R0.234 C=CCCCCCOCCC(=C)C 34a_100000764851_100000700193 [1,0,0,0,0,0|2,0,0]=3 1122 B12R0.234 C=CCCCCCOCCC(=C)C 34a_100011216702_100000730704 [1,0,0,0,0,0|2,0,0]=3 1123 B12R0.234 C=CCCCCCOCCC(=C)C 7a_100011216702_100000730704 [1,0,0,0,0,0|2,0,0]=3 1124 B12R0.234 C=CCCCCCOCCC(=O)C 34a_100000759926_100000700193 [1,0,0,0,0,0|1,0,0]=2 1125 B12R0.234 C=CCCCCCOCCC(=O)C 7a_100000759926_100000700193 [1,0,0,0,0,0|1,0,0]=2 1126 B12R0.234 C=CCCCCCOCCC(=O)C 7a_100011216702_100000053229 [1,0,0,0,0,0|1,0,0]=2 1127 B12R0.234 C=CCCCCCOCCC(=O)N 34a_100000757172_100000700193 [1,0,0,0,0,0|2,0,0]=3 1128 B12R0.234 C=CCCCCCOCCC(=O)N 34a_100011216702_100000731001 [1,0,0,0,0,0|2,0,0]=3 1129 B12R0.234 C=CCCCCCOCCC(=O)N 7a_100000757172_100000700193 [1,0,0,0,0,0|2,0,0]=3 1130 B12R0.234 C=CCCCCCOCCC(=O)N 7a_100011216702_100000744528 [1,0,0,0,0,0|2,0,0]=3 1131 B12R0.234 C=CCCCCCOCCC(C)Br 34a_100009893172_100000700193 [1,0,0,0,0,0|2,0,1]=4 1132 B12R0.234 C=CCCCCCOCCC(C)C 34a_100000210254_100000700193 [1,0,0,0,0,0|2,0,1]=4 1133 B12R0.234 C=CCCCCCOCCC(C)C 34a_100011216702_100000210312 [1,0,0,0,0,0|2,0,1]=4 1134 B12R0.234 C=CCCCCCOCCC(C)C 7a_100000210254_100000700193 [1,0,0,0,0,0|2,0,1]=4 1135 B12R0.234 C=CCCCCCOCCC(C)C 7a_100011216702_100000210626 [1,0,0,0,0,0|2,0,1]=4 1136 B12R0.234 C=CCCCCCOCCC(C)O 34a_100011216702_100012276601 [1,0,0,0,0,0|1,0,2]=4 1137 B12R0.234 C=CCCCCCOCCC(C)O 7a_100011216702_100012276601 [1,0,0,0,0,0|1,0,2]=4 1138 B12R0.234 C=CCCCCCOCCN(C)C 7a_100011216702_100000755713 [1,0,0,0,0,0|3,0,0]=4 1139 B12R0.234 C=CCCCCCOCC[C@@H](C)N 34a_100000706166_100000700193 [1,0,0,0,0,0|2,0,1]=4 1140 B12R0.234 C=CCCCCCOCOC(=O)C 34a_100011216702_100009813279 [1,0,0,0,0,0|2,0,0]=3 1141 B12R0.234 C=CCCCCCSCC=C(C)C 62a_100000700193_100000761012 [1,0,0,0,0,0|2,0,1]=4 1142 B12R0.234 C=CCCCCCSCC=C(C)C 62a_100000761012_100000700193 [1,0,0,0,0,0|2,0,1]=4 1143 B12R0.234 C=CCCCCCSCCC(=C)C 62a_100000700193_100000730704 [1,0,0,0,0,0|2,0,0]=3 1144 B12R0.234 C=CCCCCCSCCC(=C)C 62a_100000730704_100000700193 [1,0,0,0,0,0|2,0,0]=3 1145 B12R0.234 C=CCCCCCSCCC(=O)C 62a_100000053229_100000700193 [1,0,0,0,0,0|1,0,0]=2 1146 B12R0.234 C=CCCCCCSCCC(=O)C 62a_100000700193_100000053229 [1,0,0,0,0,0|1,0,0]=2 1147 B12R0.234 C=CCCCCCSCCC(=O)N 62a_100000700193_100000744528 [1,0,0,0,0,0|2,0,0]=3 1148 B12R0.234 C=CCCCCCSCCC(=O)N 62a_100000744528_100000700193 [1,0,0,0,0,0|2,0,0]=3 1149 B12R0.234 C=CCCCCCSCCC(C)C 62a_100000210312_100000700193 [1,0,0,0,0,0|2,0,1]=4 1150 B12R0.234 C=CCCCCCSCCC(C)C 62a_100000700193_100000210312 [1,0,0,0,0,0|2,0,1]=4 1151 B12R0.234 C=CCCCCCSCCC(C)O 62a_100000700193_100012276601 [1,0,0,0,0,0|1,0,2]=4 1152 B12R0.234 C=CCCCCCSCCC(C)O 62a_100012276601_100000700193 [1,0,0,0,0,0|1,0,2]=4 1153 B12R0.234 C=CCCCCCSCCN(C)C 62a_100000700193_100000755713 [1,0,0,0,0,0|3,0,0]=4 1154 B12R0.234 C=CCCCCCSCOC(=O)C 62a_100000076356_100000700193 [1,0,0,0,0,0|2,0,0]=3 1155 B12R0.234 C=CCCCCCSCOC(=O)C 62a_100000700193_100000076356 [1,0,0,0,0,0|2,0,0]=3 1156 B12R0.234 C=CCCCCNCCC=C(C)C 2230a_100000703577_100011217483 [1,0,0,0,0,0|2,0,1]=4 1157 B12R0.234 C=CCCCCNCCC=C(C)C 34a_100000703577_100011217483 [1,0,0,0,0,0|2,0,1]=4 1158 B12R0.234 C=CCCCCNCCCC(=O)C 34a_100000703577_100000685027 [1,0,0,0,0,0|1,0,0]=2 1159 B12R0.234 C=CCCCCNCCCC(=O)N 34a_100000703577_100102525003 [1,0,0,0,0,0|2,0,0]=3 1160 B12R0.234 C=CCCCCNCCCC(=O)N 34a_100000739312_100011215482 [1,0,0,0,0,0|2,0,0]=3 1161 B12R0.234 C=CCCCCNCCCC(C)C 2230a_100000703577_100011214892 [1,0,0,0,0,0|2,0,1]=4 1162 B12R0.234 C=CCCCCNCCCC(C)C 2230a_200000737386_100011215482 [1,0,0,0,0,0|2,0,1]=4 1163 B12R0.234 C=CCCCCNCCCC(C)C 34a_100000703577_100011214892 [1,0,0,0,0,0|2,0,1]=4 1164 B12R0.234 C=CCCCCNCCCC(C)C 34a_200000737386_100011215482 [1,0,0,0,0,0|2,0,1]=4 1165 B12R0.234 C=CCCCCNCCCC(C)O 2230a_100000703577_200000718107 [1,0,0,0,0,0|1,0,2]=4 1166 B12R0.234 C=CCCCCNCCCC(C)O 34a_100000703577_200000718107 [1,0,0,0,0,0|1,0,2]=4 1167 B12R0.234 C=CCCCCNCCCS(=O)C 2230a_200000753449_100011215482 [1,0,0,0,0,0|2,0,0]=3 1168 B12R0.234 C=CCCCCNCCNC(=O)C 2230a_100000209853_100011215482 [1,0,0,0,0,0|2,0,0]=3 1169 B12R0.234 C=CCCCCNCCNC(=O)C 2230a_100000703577_100000189650 [1,0,0,0,0,0|2,0,0]=3 1170 B12R0.234 C=CCCCCNCCNC(=O)N 2230a_100000703577_200000034859 [1,0,0,0,0,0|3,0,0]=4 1171 B12R0.234 C=CCCCCNCCNC(=O)N 34a_100020590234_100011215482 [1,0,0,0,0,0|3,0,0]=4 1172 B12R0.234 C=CCCCCNCCOC(=O)C 34a_100000703577_100009814007 [1,0,0,0,0,0|2,0,0]=3 1173 B12R0.234 C=CCCCCNCCOC(=O)N 34a_100000703577_200011214921 [1,0,0,0,0,0|3,0,0]=4 1174 B12R0.234 C=CCCCCOCCC=C(C)C 34a_100000766645_100011217483 [1,0,0,0,0,0|2,0,1]=4 1175 B12R0.234 C=CCCCCOCCC=C(C)C 7a_100000766645_100011217483 [1,0,0,0,0,0|2,0,1]=4 1176 B12R0.234 C=CCCCCOCCCC(=O)C 34a_100000759063_100011215482 [1,0,0,0,0,0|1,0,0]=2 1177 B12R0.234 C=CCCCCOCCCC(=O)C 34a_100000766645_100000685027 [1,0,0,0,0,0|1,0,0]=2 1178 B12R0.234 C=CCCCCOCCCC(=O)C 7a_100000759063_100011215482 [1,0,0,0,0,0|1,0,0]=2 1179 B12R0.234 C=CCCCCOCCCC(=O)C 7a_100000766645_100011215641 [1,0,0,0,0,0|1,0,0]=2 1180 B12R0.234 C=CCCCCOCCCC(=O)N 34a_100000766645_100102525003 [1,0,0,0,0,0|2,0,0]=3 1181 B12R0.234 C=CCCCCOCCCC(=O)N 7a_100000766645_100102525003 [1,0,0,0,0,0|2,0,0]=3 1182 B12R0.234 C=CCCCCOCCCC(C)C 34a_100000210774_100011215482 [1,0,0,0,0,0|2,0,1]=4 1183 B12R0.234 C=CCCCCOCCCC(C)C 34a_100000766645_100011214892 [1,0,0,0,0,0|2,0,1]=4 1184 B12R0.234 C=CCCCCOCCCC(C)C 7a_100000210774_100011215482 [1,0,0,0,0,0|2,0,1]=4 1185 B12R0.234 C=CCCCCOCCCC(C)C 7a_100000766645_100011214892 [1,0,0,0,0,0|2,0,1]=4 1186 B12R0.234 C=CCCCCOCCCC(C)O 34a_100000766645_200000718107 [1,0,0,0,0,0|1,0,2]=4 1187 B12R0.234 C=CCCCCOCCCC(C)O 7a_100000766645_200000718107 [1,0,0,0,0,0|1,0,2]=4 1188 B12R0.234 C=CCCCCOCCCN(C)C 7a_100000766645_100000757444 [1,0,0,0,0,0|3,0,0]=4 1189 B12R0.234 C=CCCCCOCCC[N+](=O)[O-] 34a_200000037920_100011215482 [1,0,0,0,0,0|2,0,1]=4 1190 B12R0.234 C=CCCCCOCCNC(=O)C 34a_100000158858_100011215482 [1,0,0,0,0,0|2,0,0]=3 1191 B12R0.234 C=CCCCCOCCNC(=O)C 7a_100000766645_100000189650 [1,0,0,0,0,0|2,0,0]=3 1192 B12R0.234 C=CCCCCOCCNC(=O)N 34a_100000181757_100011215482 [1,0,0,0,0,0|3,0,0]=4 1193 B12R0.234 C=CCCCCOCCNC(=O)N 7a_100000766645_200000034859 [1,0,0,0,0,0|3,0,0]=4 1194 B12R0.234 C=CCCCCOCCOC(=O)C 34a_100000766645_100009814007 [1,0,0,0,0,0|2,0,0]=3 1195 B12R0.234 C=CCCCCOCCOC(=O)C 7a_100000766645_100009814007 [1,0,0,0,0,0|2,0,0]=3 1196 B12R0.234 C=CCCCCOCCOC(=O)N 34a_100000766645_200011214921 [1,0,0,0,0,0|3,0,0]=4 1197 B12R0.234 C=CCCCCOCCOC(=O)N 7a_100000766645_200011214921 [1,0,0,0,0,0|3,0,0]=4 1198 B12R0.234 C=CCCCCOCCOC(=O)N 7a_100000766696_100011215482 [1,0,0,0,0,0|3,0,0]=4 1199 B12R0.234 C=CCCCCSCCC=C(C)C 62a_100011215482_100011217483 [1,0,0,0,0,0|2,0,1]=4 1200 B12R0.234 C=CCCCCSCCC=C(C)C 62a_100011217483_100011215482 [1,0,0,0,0,0|2,0,1]=4 1201 B12R0.234 C=CCCCCSCCCC(=O)C 62a_100011215482_100011215641 [1,0,0,0,0,0|1,0,0]=2 1202 B12R0.234 C=CCCCCSCCCC(=O)C 62a_100011215641_100011215482 [1,0,0,0,0,0|1,0,0]=2 1203 B12R0.234 C=CCCCCSCCCC(=O)N 62a_100011215482_100102525003 [1,0,0,0,0,0|2,0,0]=3 1204 B12R0.234 C=CCCCCSCCCC(=O)N 62a_100102525003_100011215482 [1,0,0,0,0,0|2,0,0]=3 1205 B12R0.234 C=CCCCCSCCCC(C)C 62a_100011214892_100011215482 [1,0,0,0,0,0|2,0,1]=4 1206 B12R0.234 C=CCCCCSCCCC(C)C 62a_100011215482_100011214892 [1,0,0,0,0,0|2,0,1]=4 1207 B12R0.234 C=CCCCCSCCCC(C)O 62a_100011215482_200000718107 [1,0,0,0,0,0|1,0,2]=4 1208 B12R0.234 C=CCCCCSCCCC(C)O 62a_200000718107_100011215482 [1,0,0,0,0,0|1,0,2]=4 1209 B12R0.234 C=CCCCCSCCCN(C)C 62a_100011215482_100000757444 [1,0,0,0,0,0|3,0,0]=4 1210 B12R0.234 C=CCCCCSCCNC(=O)C 62a_100000189650_100011215482 [1,0,0,0,0,0|2,0,0]=3 1211 B12R0.234 C=CCCCCSCCNC(=O)C 62a_100011215482_100000189650 [1,0,0,0,0,0|2,0,0]=3 1212 B12R0.234 C=CCCCCSCCNC(=O)N 62a_100011215482_200000034859 [1,0,0,0,0,0|3,0,0]=4 1213 B12R0.234 C=CCCCCSCCNC(=O)N 62a_200000034859_100011215482 [1,0,0,0,0,0|3,0,0]=4 1214 B12R0.234 C=CCCCCSCCOC(=O)C 62a_100009814007_100011215482 [1,0,0,0,0,0|2,0,0]=3 1215 B12R0.234 C=CCCCCSCCOC(=O)C 62a_100011215482_100009814007 [1,0,0,0,0,0|2,0,0]=3 1216 B12R0.234 C=CCCCCSCCOC(=O)N 62a_100011215482_200011214921 [1,0,0,0,0,0|3,0,0]=4 1217 B12R0.234 C=CCCCCSCCOC(=O)N 62a_200011214921_100011215482 [1,0,0,0,0,0|3,0,0]=4 1218 B12R0.234 C=CCCCNCCCCB(O)O 2230a_100000700776_200009817182 [1,0,0,0,0,0|2,0,1]=4 1219 B12R0.234 C=CCCCNCCCCB(O)O 34a_100000700776_200009817182 [1,0,0,0,0,0|2,0,1]=4 1220 B12R0.234 C=CCCCNCCCCC(=O)C 34a_100000700776_100009817362 [1,0,0,0,0,0|1,0,0]=2 1221 B12R0.234 C=CCCCNCCCCC(=O)N 34a_100000696515_100000757094 [1,0,0,0,0,0|2,0,0]=3 1222 B12R0.234 C=CCCCNCCCCC(C)C 2230a_100000700776_100011216152 [1,0,0,0,0,0|2,0,1]=4 1223 B12R0.234 C=CCCCNCCCCC(C)C 34a_100000700776_100011216152 [1,0,0,0,0,0|2,0,1]=4 1224 B12R0.234 C=CCCCNCCCNC(=O)C 34a_100000736810_100000757094 [1,0,0,0,0,0|2,0,0]=3 1225 B12R0.234 C=CCCCNCCCOC(=O)C 34a_100000700776_100000042594 [1,0,0,0,0,0|2,0,0]=3 1226 B12R0.234 C=CCCCNCCCOC(=S)C 2230a_100000700776_200135323944 [1,0,0,0,0,0|2,1,0]=4 1227 B12R0.234 C=CCCCNCCCOC(=S)C 34a_100000700776_200135323944 [1,0,0,0,0,0|2,1,0]=4 1228 B12R0.234 C=CCCCNCCCSC(=O)C 2230a_100000700776_100000038929 [1,0,0,0,0,0|2,0,0]=3 1229 B12R0.234 C=CCCCNCCCSC(=O)C 34a_100000700776_100000038929 [1,0,0,0,0,0|2,0,0]=3 1230 B12R0.234 C=CCCCNCCOCC(=O)N 2230a_100000700776_100000076697 [1,0,0,0,0,0|3,0,0]=4 1231 B12R0.234 C=CCCCNCCOCC(=O)N 34a_100000700776_100000076697 [1,0,0,0,0,0|3,0,0]=4 1232 B12R0.234 C=CCCCNCCOCC(=O)O 269956a_100000700818_100011713584 [1,0,0,0,0,0|2,0,0]=3 1233 B12R0.234 C=CCCCOCCCCB(O)O 34a_100000758997_200009817182 [1,0,0,0,0,0|2,0,1]=4 1234 B12R0.234 C=CCCCOCCCCB(O)O 7a_100000758997_200009817182 [1,0,0,0,0,0|2,0,1]=4 1235 B12R0.234 C=CCCCOCCCCC(=O)C 34a_100000758997_100009817362 [1,0,0,0,0,0|1,0,0]=2 1236 B12R0.234 C=CCCCOCCCCC(=O)C 7a_100000758997_100000735457 [1,0,0,0,0,0|1,0,0]=2 1237 B12R0.234 C=CCCCOCCCCC(=O)N 34a_100012022536_100000757094 [1,0,0,0,0,0|2,0,0]=3 1238 B12R0.234 C=CCCCOCCCCC(=O)N 7a_100012022536_100000757094 [1,0,0,0,0,0|2,0,0]=3 1239 B12R0.234 C=CCCCOCCCCC(C)C 34a_100000758997_100011216152 [1,0,0,0,0,0|2,0,1]=4 1240 B12R0.234 C=CCCCOCCCCC(C)C 34a_100011214890_100000757094 [1,0,0,0,0,0|2,0,1]=4 1241 B12R0.234 C=CCCCOCCCCC(C)C 7a_100000758997_100011216152 [1,0,0,0,0,0|2,0,1]=4 1242 B12R0.234 C=CCCCOCCCCC(C)C 7a_100011214890_100000757094 [1,0,0,0,0,0|2,0,1]=4 1243 B12R0.234 C=CCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000757094 [1,0,0,0,0,0|2,0,1]=4 1244 B12R0.234 C=CCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000757094 [1,0,0,0,0,0|2,0,1]=4 1245 B12R0.234 C=CCCCOCCCNC(=O)C 34a_100000752032_100000757094 [1,0,0,0,0,0|2,0,0]=3 1246 B12R0.234 C=CCCCOCCCOC(=O)C 34a_100000758997_100000042594 [1,0,0,0,0,0|2,0,0]=3 1247 B12R0.234 C=CCCCOCCCOC(=O)C 7a_100000758997_100000042594 [1,0,0,0,0,0|2,0,0]=3 1248 B12R0.234 C=CCCCOCCCOC(=S)C 34a_100000758997_200135323944 [1,0,0,0,0,0|2,1,0]=4 1249 B12R0.234 C=CCCCOCCCOC(=S)C 7a_100000758997_200135323944 [1,0,0,0,0,0|2,1,0]=4 1250 B12R0.234 C=CCCCOCCCSC(=O)C 34a_100000758997_100000038929 [1,0,0,0,0,0|2,0,0]=3 1251 B12R0.234 C=CCCCOCCCSC(=O)C 7a_100000758997_100000038929 [1,0,0,0,0,0|2,0,0]=3 1252 B12R0.234 C=CCCCOCCOCC(=O)N 34a_100000758997_100000076697 [1,0,0,0,0,0|3,0,0]=4 1253 B12R0.234 C=CCCCOCCOCC(=O)N 7a_100000758997_100000076697 [1,0,0,0,0,0|3,0,0]=4 1254 B12R0.234 C=CCCCSCCCCB(O)O 62a_100011713584_200009817182 [1,0,0,0,0,0|2,0,1]=4 1255 B12R0.234 C=CCCCSCCCCB(O)O 62a_200009817182_100000757094 [1,0,0,0,0,0|2,0,1]=4 1256 B12R0.234 C=CCCCSCCCCC(=O)C 62a_100000735457_100000757094 [1,0,0,0,0,0|1,0,0]=2 1257 B12R0.234 C=CCCCSCCCCC(=O)C 62a_100011713584_100000735457 [1,0,0,0,0,0|1,0,0]=2 1258 B12R0.234 C=CCCCSCCCCC(C)C 62a_100011216152_100000757094 [1,0,0,0,0,0|2,0,1]=4 1259 B12R0.234 C=CCCCSCCCCC(C)C 62a_100011713584_100011216152 [1,0,0,0,0,0|2,0,1]=4 1260 B12R0.234 C=CCCCSCCCCN(C)C 62a_100011713584_100000690147 [1,0,0,0,0,0|3,0,0]=4 1261 B12R0.234 C=CCCCSCCCOC(=O)C 62a_100000042594_100000757094 [1,0,0,0,0,0|2,0,0]=3 1262 B12R0.234 C=CCCCSCCCOC(=O)C 62a_100011713584_100000042594 [1,0,0,0,0,0|2,0,0]=3 1263 B12R0.234 C=CCCCSCCCOC(=S)C 62a_100011713584_200135323944 [1,0,0,0,0,0|2,1,0]=4 1264 B12R0.234 C=CCCCSCCCOC(=S)C 62a_200135323944_100000757094 [1,0,0,0,0,0|2,1,0]=4 1265 B12R0.234 C=CCCCSCCCSC(=O)C 62a_100000038929_100000757094 [1,0,0,0,0,0|2,0,0]=3 1266 B12R0.234 C=CCCCSCCCSC(=O)C 62a_100011713584_100000038929 [1,0,0,0,0,0|2,0,0]=3 1267 B12R0.234 C=CCCCSCCOCC(=O)N 62a_100000076697_100000757094 [1,0,0,0,0,0|3,0,0]=4 1268 B12R0.234 C=CCCCSCCOCC(=O)N 62a_100011713584_100000076697 [1,0,0,0,0,0|3,0,0]=4 1269 B12R0.234 C=CCCNCCCCCB(O)O 2230a_100015191253_200009817188 [1,0,0,0,0,0|2,0,1]=4 1270 B12R0.234 C=CCCNCCCCCC(=O)N 2230a_100015191253_100009817443 [1,0,0,0,0,0|2,0,0]=3 1271 B12R0.234 C=CCCNCCCCCC(C)C 2230a_100011290863_100000754431 [1,0,0,0,0,0|2,0,1]=4 1272 B12R0.234 C=CCCNCCCCCC(C)C 2230a_100015191253_100000210682 [1,0,0,0,0,0|2,0,1]=4 1273 B12R0.234 C=CCCNCCCCCC(C)C 34a_100011290863_100000754431 [1,0,0,0,0,0|2,0,1]=4 1274 B12R0.234 C=CCCNCCCCNC(=O)C 2230a_200011368371_100000754431 [1,0,0,0,0,0|2,0,0]=3 1275 B12R0.234 C=CCCNCCCCNC(=O)C 34a_200011368371_100000754431 [1,0,0,0,0,0|2,0,0]=3 1276 B12R0.234 C=CCCNCCCCSC(=O)C 2230a_100015191253_200010402107 [1,0,0,0,0,0|2,0,0]=3 1277 B12R0.234 C=CCCOCCCCCB(O)O 34a_100011205117_200009817188 [1,0,0,0,0,0|2,0,1]=4 1278 B12R0.234 C=CCCOCCCCCC(=O)N 34a_100000123541_100000754431 [1,0,0,0,0,0|2,0,0]=3 1279 B12R0.234 C=CCCOCCCCCC(=O)N 34a_100011205117_100009817443 [1,0,0,0,0,0|2,0,0]=3 1280 B12R0.234 C=CCCOCCCCCC(=O)N 7a_100000123541_100000754431 [1,0,0,0,0,0|2,0,0]=3 1281 B12R0.234 C=CCCOCCCCCC(=O)[O-] 7a_100102619762_100000754431 [1,0,0,0,0,0|1,0,1]=3 1282 B12R0.234 C=CCCOCCCCCC(C)C 34a_100011205117_100000210682 [1,0,0,0,0,0|2,0,1]=4 1283 B12R0.234 C=CCCOCCCCCC(C)C 34a_100011995859_100000754431 [1,0,0,0,0,0|2,0,1]=4 1284 B12R0.234 C=CCCOCCCCCC(C)C 7a_100011995859_100000754431 [1,0,0,0,0,0|2,0,1]=4 1285 B12R0.234 C=CCCOCCCCOC(=O)C 34a_100000073216_100000754431 [1,0,0,0,0,0|2,0,0]=3 1286 B12R0.234 C=CCCOCCCCOC(=O)C 34a_100011205117_100000033659 [1,0,0,0,0,0|2,0,0]=3 1287 B12R0.234 C=CCCOCCCCOC(=O)C 7a_100000073216_100000754431 [1,0,0,0,0,0|2,0,0]=3 1288 B12R0.234 C=CCCOCCCCSC(=O)C 34a_100011205117_200010402107 [1,0,0,0,0,0|2,0,0]=3 1289 B12R0.234 C=CCCOCOCCOC(=O)C 34a_100011205117_100000076355 [1,0,0,0,0,0|3,0,0]=4 1290 B12R0.234 C=CCCSCCCCCB(O)O 62a_100000754431_200009817188 [1,0,0,0,0,0|2,0,1]=4 1291 B12R0.234 C=CCCSCCCCCB(O)O 62a_200009817188_100000754431 [1,0,0,0,0,0|2,0,1]=4 1292 B12R0.234 C=CCCSCCCCCC(=O)N 62a_100000754431_100009817443 [1,0,0,0,0,0|2,0,0]=3 1293 B12R0.234 C=CCCSCCCCCC(=O)N 62a_100009817443_100000754431 [1,0,0,0,0,0|2,0,0]=3 1294 B12R0.234 C=CCCSCCCCCC(C)C 62a_100000210682_100000754431 [1,0,0,0,0,0|2,0,1]=4 1295 B12R0.234 C=CCCSCCCCCC(C)C 62a_100000754431_100000210682 [1,0,0,0,0,0|2,0,1]=4 1296 B12R0.234 C=CCCSCCCCOC(=O)C 62a_100000033659_100000754431 [1,0,0,0,0,0|2,0,0]=3 1297 B12R0.234 C=CCCSCCCCOC(=O)C 62a_100000754431_100000033659 [1,0,0,0,0,0|2,0,0]=3 1298 B12R0.234 C=CCCSCCCCSC(=O)C 62a_100000754431_200010402107 [1,0,0,0,0,0|2,0,0]=3 1299 B12R0.234 C=CCCSCCCCSC(=O)C 62a_200010402107_100000754431 [1,0,0,0,0,0|2,0,0]=3 1300 B12R0.234 C=CCCSCOCCOC(=O)C 62a_100000076355_100000754431 [1,0,0,0,0,0|3,0,0]=4 1301 B12R0.234 C=CCCSCOCCOC(=O)C 62a_100000754431_100000076355 [1,0,0,0,0,0|3,0,0]=4 1302 B12R0.234 C=CCNCCCCCCB(O)O 2230a_100020586998_100009817187 [1,0,0,0,0,0|2,0,1]=4 1303 B12R0.234 C=CCNCCCCCCC(C)C 2230a_100000211014_100000210623 [1,0,0,0,0,0|2,0,1]=4 1304 B12R0.234 C=CCNCCCCCCC(C)C 34a_100000211014_100015514636 [1,0,0,0,0,0|2,0,1]=4 1305 B12R0.234 C=CCNCCCCCNC(=O)C 2230a_200012022750_100000210623 [1,0,0,0,0,0|2,0,0]=3 1306 B12R0.234 C=CCNCCCCCNC(=O)C 34a_200012022750_100015514636 [1,0,0,0,0,0|2,0,0]=3 1307 B12R0.234 C=CCNCCCCCOC(=O)C 2230a_100020586998_100009813381 [1,0,0,0,0,0|2,0,0]=3 1308 B12R0.234 C=CCNCCOCCOC(=O)C 2230a_100020586998_200000083610 [1,0,0,0,0,0|3,0,0]=4 1309 B12R0.234 C=CCOCCCCCCB(O)O 34a_200000210373_100009817187 [1,0,0,0,0,0|2,0,1]=4 1310 B12R0.234 C=CCOCCCCCOC(=O)C 34a_200000210373_100000033007 [1,0,0,0,0,0|2,0,0]=3 1311 B12R0.234 C=CCOCCOCCCC(=O)C 34a_100000037705_100000685027 [1,0,0,0,0,0|2,0,0]=3 1312 B12R0.234 C=CCOCCOCCCC(=O)C 7a_100000037705_100011215641 [1,0,0,0,0,0|2,0,0]=3 1313 B12R0.234 C=CCOCCOCCCC(=O)N 34a_100000037705_100102525003 [1,0,0,0,0,0|3,0,0]=4 1314 B12R0.234 C=CCOCCOCCCC(=O)N 7a_100000037705_100102525003 [1,0,0,0,0,0|3,0,0]=4 1315 B12R0.234 C=CCOCCOCCNC(=O)C 7a_100000037705_100000189650 [1,0,0,0,0,0|3,0,0]=4 1316 B12R0.234 C=CCOCCOCCOC(=O)C 34a_100000037705_100009814007 [1,0,0,0,0,0|3,0,0]=4 1317 B12R0.234 C=CCOCCOCCOC(=O)C 34a_200000210373_200000083610 [1,0,0,0,0,0|3,0,0]=4 1318 B12R0.234 C=CCOCCOCCOC(=O)C 7a_100000037705_100009814007 [1,0,0,0,0,0|3,0,0]=4 1319 B12R0.234 C=CCSCCCCCCB(O)O 62a_100000210623_100009817187 [1,0,0,0,0,0|2,0,1]=4 1320 B12R0.234 C=CCSCCCCCCB(O)O 62a_100009817187_100000210623 [1,0,0,0,0,0|2,0,1]=4 1321 B12R0.234 C=CCSCCCCCOC(=O)C 62a_100000033007_100000210623 [1,0,0,0,0,0|2,0,0]=3 1322 B12R0.234 C=CCSCCCCCOC(=O)C 62a_100000210623_100000033007 [1,0,0,0,0,0|2,0,0]=3 1323 B12R0.234 C=CCSCCOCCOC(=O)C 62a_100000210623_200000083610 [1,0,0,0,0,0|3,0,0]=4 1324 B12R0.234 C=CCSCCOCCOC(=O)C 62a_200000083610_100000210623 [1,0,0,0,0,0|3,0,0]=4 1325 B12R0.234 C=COCCCCOCCC(=C)C 34a_100000031558_100000730704 [1,0,0,0,0,0|3,0,0]=4 1326 B12R0.234 C=COCCCCOCCC(=C)C 7a_100000031558_100000730704 [1,0,0,0,0,0|3,0,0]=4 1327 B12R0.234 C=COCCCCOCCC(=O)C 7a_100000031558_100000053229 [1,0,0,0,0,0|2,0,0]=3 1328 B12R0.234 C=COCCCCOCCC(=O)N 34a_100000031558_100000731001 [1,0,0,0,0,0|3,0,0]=4 1329 B12R0.234 C=COCCCCOCCC(=O)N 7a_100000031558_100000744528 [1,0,0,0,0,0|3,0,0]=4 1330 B12R0.234 C=COCCCCOCOC(=O)C 34a_100000031558_100009813279 [1,0,0,0,0,0|3,0,0]=4 1331 B12R0.234 C=COCCCNCCCC(=O)C 34a_100000210767_100000685027 [1,0,0,0,0,0|2,0,0]=3 1332 B12R0.234 C=COCCCNCCCC(=O)N 34a_100000210767_100102525003 [1,0,0,0,0,0|3,0,0]=4 1333 B12R0.234 C=COCCCNCCNC(=O)C 2230a_100000210767_100000189650 [1,0,0,0,0,0|3,0,0]=4 1334 B12R0.234 C=COCCCNCCOC(=O)C 34a_100000210767_100009814007 [1,0,0,0,0,0|3,0,0]=4 1335 B12R0.234 C=COCCNCCCCC(=O)N 34a_100000696515_100000039644 [1,0,0,0,0,0|3,0,0]=4 1336 B12R0.234 C=COCCNCCCNC(=O)C 34a_100000736810_100000039644 [1,0,0,0,0,0|3,0,0]=4 1337 B12R0.234 C=COCCNCCOCC(=O)O 269956a_100000700818_100000039644 [1,0,0,0,0,0|3,0,0]=4 1338 B12R0.234 C=COCCOCCCCC(=O)C 34a_100000033082_100009817362 [1,0,0,0,0,0|2,0,0]=3 1339 B12R0.234 C=COCCOCCCCC(=O)N 34a_100012022536_100000039644 [1,0,0,0,0,0|3,0,0]=4 1340 B12R0.234 C=COCCOCCCCC(=O)N 7a_100012022536_100000039644 [1,0,0,0,0,0|3,0,0]=4 1341 B12R0.234 C=COCCOCCCNC(=O)C 34a_100000752032_100000039644 [1,0,0,0,0,0|3,0,0]=4 1342 B12R0.234 C=COCCOCCCOC(=O)C 34a_100000033082_100000042594 [1,0,0,0,0,0|3,0,0]=4 1343 B12R0.234 C=COCCOCCCSC(=O)C 34a_100000033082_100000038929 [1,0,0,0,0,0|3,0,0]=4 1344 B12R0.234 C=COCCSCCCCC(=O)C 62a_100000039644_100000735457 [1,0,0,0,0,0|2,0,0]=3 1345 B12R0.234 C=COCCSCCCCC(=O)C 62a_100000735457_100000039644 [1,0,0,0,0,0|2,0,0]=3 1346 B12R0.234 C=COCCSCCCOC(=O)C 62a_100000039644_100000042594 [1,0,0,0,0,0|3,0,0]=4 1347 B12R0.234 C=COCCSCCCOC(=O)C 62a_100000042594_100000039644 [1,0,0,0,0,0|3,0,0]=4 1348 B12R0.234 C=COCCSCCCSC(=O)C 62a_100000038929_100000039644 [1,0,0,0,0,0|3,0,0]=4 1349 B12R0.234 C=COCCSCCCSC(=O)C 62a_100000039644_100000038929 [1,0,0,0,0,0|3,0,0]=4 1350 B12R0.234 CC#CCCCCCCCC(=O)C 1458a_100000066323_200000210301 [1,0,0,0,0,0|0,0,3]=4 1351 B12R0.234 CC#CCCCCCCCC(=O)[13CH3] 1458a_100000066323_200025704644 [1,0,0,0,0,0|0,0,3]=4 1352 B12R0.234 CC(=O)CCCCCCCCCF 1458a_200009909015_200000210301 [1,0,0,0,0,0|1,0,1]=3 1353 B12R0.234 CC(=O)CCCCCCCCCO 1458a_100000070787_100009813782 [1,0,0,0,0,0|1,0,1]=3 1354 B12R0.234 CC(=O)CCCCNCCCCO 34a_100000750430_100009817362 [1,0,0,0,0,0|2,0,1]=4 1355 B12R0.234 CC(=O)CCCCOCCCCBr 34a_100011216708_100009817362 [1,0,0,0,0,0|2,0,1]=4 1356 B12R0.234 CC(=O)CCCCOCCCCCl 34a_100000210776_100009817362 [1,0,0,0,0,0|2,0,1]=4 1357 B12R0.234 CC(=O)CCCCOCCCCCl 7a_100000210776_100000735457 [1,0,0,0,0,0|2,0,1]=4 1358 B12R0.234 CC(=O)CCCCOCCCCF 34a_100011995726_100009817362 [1,0,0,0,0,0|2,0,1]=4 1359 B12R0.234 CC(=O)CCCCOCCCCF 7a_100011995726_100000735457 [1,0,0,0,0,0|2,0,1]=4 1360 B12R0.234 CC(=O)CCCCOCCCCI 34a_200012148704_100009817362 [1,0,0,0,0,0|2,0,1]=4 1361 B12R0.234 CC(=O)CCCCOCCCCN 34a_100000750430_100009817362 [1,0,0,0,0,0|2,0,1]=4 1362 B12R0.234 CC(=O)CCCCSCCCC#N 62a_100000687738_100000735457 [1,0,0,0,0,0|2,0,1]=4 1363 B12R0.234 CC(=O)CCCCSCCCC#N 62a_100000735457_100000687738 [1,0,0,0,0,0|2,0,1]=4 1364 B12R0.234 CC(=O)CCCCSCCCC=O 62a_100000735457_200011292268 [1,0,0,0,0,0|2,0,0]=3 1365 B12R0.234 CC(=O)CCCCSCCCC=O 62a_200011292268_100000735457 [1,0,0,0,0,0|2,0,0]=3 1366 B12R0.234 CC(=O)CCCCSCCCCF 62a_100000729493_100000735457 [1,0,0,0,0,0|2,0,1]=4 1367 B12R0.234 CC(=O)CCCCSCCCCF 62a_100000735457_100000729493 [1,0,0,0,0,0|2,0,1]=4 1368 B12R0.234 CC(=O)CCCCSCCCCO 62a_100000210776_100000735457 [1,0,0,0,0,0|2,0,1]=4 1369 B12R0.234 CC(=O)CCCCSCCCCO 62a_100000735457_100000210776 [1,0,0,0,0,0|2,0,1]=4 1370 B12R0.234 CC(=O)CCCNCCCCCO 34a_100000762737_100000685027 [1,0,0,0,0,0|2,0,1]=4 1371 B12R0.234 CC(=O)CCCOCCCCC#N 7a_100000759063_100000211819 [1,0,0,0,0,0|2,0,1]=4 1372 B12R0.234 CC(=O)CCCOCCCCC=O 7a_100000759063_100000139335 [1,0,0,0,0,0|2,0,0]=3 1373 B12R0.234 CC(=O)CCCOCCCCCBr 34a_100000746331_100000685027 [1,0,0,0,0,0|2,0,1]=4 1374 B12R0.234 CC(=O)CCCOCCCCCBr 7a_100000746331_100011215641 [1,0,0,0,0,0|2,0,1]=4 1375 B12R0.234 CC(=O)CCCOCCCCCCl 34a_100000746330_100000685027 [1,0,0,0,0,0|2,0,1]=4 1376 B12R0.234 CC(=O)CCCOCCCCCCl 7a_100000746330_100011215641 [1,0,0,0,0,0|2,0,1]=4 1377 B12R0.234 CC(=O)CCCOCCCCCF 34a_100000759063_100000729378 [1,0,0,0,0,0|2,0,1]=4 1378 B12R0.234 CC(=O)CCCOCCCCCF 7a_100000759063_100000729378 [1,0,0,0,0,0|2,0,1]=4 1379 B12R0.234 CC(=O)CCCOCCCCCI 34a_200012148887_100000685027 [1,0,0,0,0,0|2,0,1]=4 1380 B12R0.234 CC(=O)CCCOCCCCCI 7a_200012148887_100011215641 [1,0,0,0,0,0|2,0,1]=4 1381 B12R0.234 CC(=O)CCCOCCCCCN 34a_100000762737_100000685027 [1,0,0,0,0,0|2,0,1]=4 1382 B12R0.234 CC(=O)CCCOCCCCCO 34a_100000759063_100000746330 [1,0,0,0,0,0|2,0,1]=4 1383 B12R0.234 CC(=O)CCCOCCCCCO 7a_100000759063_100000746330 [1,0,0,0,0,0|2,0,1]=4 1384 B12R0.234 CC(=O)CCCSCCCCC#N 62a_100011215641_100000211819 [1,0,0,0,0,0|2,0,1]=4 1385 B12R0.234 CC(=O)CCCSCCCCC#N 62a_100011219923_100011215641 [1,0,0,0,0,0|2,0,1]=4 1386 B12R0.234 CC(=O)CCCSCCCCC=O 62a_100000139335_100011215641 [1,0,0,0,0,0|2,0,0]=3 1387 B12R0.234 CC(=O)CCCSCCCCC=O 62a_100011215641_100000139335 [1,0,0,0,0,0|2,0,0]=3 1388 B12R0.234 CC(=O)CCCSCCCCCF 62a_100000729378_100011215641 [1,0,0,0,0,0|2,0,1]=4 1389 B12R0.234 CC(=O)CCCSCCCCCF 62a_100011215641_100000729378 [1,0,0,0,0,0|2,0,1]=4 1390 B12R0.234 CC(=O)CCCSCCCCCO 62a_100000746330_100011215641 [1,0,0,0,0,0|2,0,1]=4 1391 B12R0.234 CC(=O)CCCSCCCCCO 62a_100011215641_100000746330 [1,0,0,0,0,0|2,0,1]=4 1392 B12R0.234 CC(=O)CCOCCCCCC#N 7a_100000759926_100009813376 [1,0,0,0,0,0|2,0,1]=4 1393 B12R0.234 CC(=O)CCOCCCCCC=O 7a_100000759926_100000139337 [1,0,0,0,0,0|2,0,0]=3 1394 B12R0.234 CC(=O)CCOCCCCCCBr 7a_100011215345_100000053229 [1,0,0,0,0,0|2,0,1]=4 1395 B12R0.234 CC(=O)CCOCCCCCCCl 7a_100000766143_100000053229 [1,0,0,0,0,0|2,0,1]=4 1396 B12R0.234 CC(=O)CCOCCCCCCF 34a_100000759926_100015922095 [1,0,0,0,0,0|2,0,1]=4 1397 B12R0.234 CC(=O)CCOCCCCCCF 7a_100000732779_100000053229 [1,0,0,0,0,0|2,0,1]=4 1398 B12R0.234 CC(=O)CCOCCCCCCF 7a_100000759926_100015922095 [1,0,0,0,0,0|2,0,1]=4 1399 B12R0.234 CC(=O)CCOCCCCCCO 34a_100000759926_100000766143 [1,0,0,0,0,0|2,0,1]=4 1400 B12R0.234 CC(=O)CCOCCCCCCO 7a_100000759926_100000766143 [1,0,0,0,0,0|2,0,1]=4 1401 B12R0.234 CC(=O)CCSCCCCCC#N 62a_100000053229_100009813376 [1,0,0,0,0,0|2,0,1]=4 1402 B12R0.234 CC(=O)CCSCCCCCC#N 62a_100009813376_100000053229 [1,0,0,0,0,0|2,0,1]=4 1403 B12R0.234 CC(=O)CCSCCCCCC=O 62a_100000053229_100000139337 [1,0,0,0,0,0|2,0,0]=3 1404 B12R0.234 CC(=O)CCSCCCCCC=O 62a_100000139337_100000053229 [1,0,0,0,0,0|2,0,0]=3 1405 B12R0.234 CC(=O)CCSCCCCCCF 62a_100000053229_100015922095 [1,0,0,0,0,0|2,0,1]=4 1406 B12R0.234 CC(=O)CCSCCCCCCF 62a_100015922095_100000053229 [1,0,0,0,0,0|2,0,1]=4 1407 B12R0.234 CC(=O)CCSCCCCCCO 62a_100000053229_100000766143 [1,0,0,0,0,0|2,0,1]=4 1408 B12R0.234 CC(=O)CCSCCCCCCO 62a_100000766143_100000053229 [1,0,0,0,0,0|2,0,1]=4 1409 B12R0.234 CC(=O)COCCCCCCCO 34a_100000211253_100000760002 [1,0,0,0,0,0|2,0,1]=4 1410 B12R0.234 CC(=O)NCCCCCCCCO 240690a_102515433106_100015343762 [1,0,0,0,0,0|2,0,1]=4 1411 B12R0.234 CC(=O)NCCCCCNCC=O 2230a_200012022750_200015260668 [1,0,0,0,0,0|3,0,0]=4 1412 B12R0.234 CC(=O)NCCCCCNCC=O 34a_200012022750_200009817547 [1,0,0,0,0,0|3,0,0]=4 1413 B12R0.234 CC(=O)NCCNCCCCC=O 2230a_100000209853_100000139335 [1,0,0,0,0,0|3,0,0]=4 1414 B12R0.234 CC(=O)NCCSCCCCC=O 62a_100000139335_100000189650 [1,0,0,0,0,0|3,0,0]=4 1415 B12R0.234 CC(=O)NCCSCCCCC=O 62a_100000189650_100000139335 [1,0,0,0,0,0|3,0,0]=4 1416 B12R0.234 CC(=O)OCCCCCSCC=O 62a_100000033007_200015260668 [1,0,0,0,0,0|3,0,0]=4 1417 B12R0.234 CC(=O)OCCCCCSCC=O 62a_200015260668_100000033007 [1,0,0,0,0,0|3,0,0]=4 1418 B12R0.234 CC(=O)OCCCSCCCC=O 62a_100000042594_200011292268 [1,0,0,0,0,0|3,0,0]=4 1419 B12R0.234 CC(=O)OCCCSCCCC=O 62a_200011292268_100000042594 [1,0,0,0,0,0|3,0,0]=4 1420 B12R0.234 CC(=O)OCCSCCCCC=O 62a_100000139335_100009814007 [1,0,0,0,0,0|3,0,0]=4 1421 B12R0.234 CC(=O)OCCSCCCCC=O 62a_100009814007_100000139335 [1,0,0,0,0,0|3,0,0]=4 1422 B12R0.234 CC(=O)OCSCCCCCC=O 62a_100000076356_100000139337 [1,0,0,0,0,0|3,0,0]=4 1423 B12R0.234 CC(=O)OCSCCCCCC=O 62a_100000139337_100000076356 [1,0,0,0,0,0|3,0,0]=4 1424 B12R0.234 CC(=O)SCCCSCCCC=O 62a_100000038929_200011292268 [1,0,0,0,0,0|3,0,0]=4 1425 B12R0.234 CC(=O)SCCCSCCCC=O 62a_200011292268_100000038929 [1,0,0,0,0,0|3,0,0]=4 1426 B12R0.234 CC=CCCCOCCCC(=O)C 34a_100020645299_100000685027 [1,0,0,0,0,0|1,0,2]=4 1427 B12R0.234 CCCCCCCCCCC(=O)C 1458a_100000070787_100000210319 [1,0,0,0,0,0|0,0,2]=3 1428 B12R0.234 CCCCCCCCCCC(=O)C 1458a_100000210375_200000210301 [1,0,0,0,0,0|0,0,2]=3 1429 B12R0.234 CCCCCCCCCCC(=O)[13CH3] 1458a_100000210375_200025704644 [1,0,0,0,0,0|0,0,2]=3 1430 B12R0.234 CCCCCCCCCNC(=O)C 11a_100000212291_100015343762 [1,0,0,0,0,0|1,0,2]=4 1431 B12R0.234 CCCCCCCCCNC(=O)C 1626a_100000212291_100015343762 [1,0,0,0,0,0|1,0,2]=4 1432 B12R0.234 CCCCCCCCCNC(=O)C 240690a_100000212291_100015343762 [1,0,0,0,0,0|1,0,2]=4 1433 B12R0.234 CCCCCCCCCNC(=O)C 527a_100000212291_100103153847 [1,0,0,0,0,0|1,0,2]=4 1434 B12R0.234 CCCCCCCCNCC(=O)O 269956a_100016091260_100000210759 [1,0,0,0,0,0|1,0,2]=4 1435 B12R0.234 CCCCCCCCOCC(=O)C 1458a_100000759886_200000210301 [1,0,0,0,0,0|1,0,2]=4 1436 B12R0.234 CCCCCCCCOCC(=O)C 34a_100000211253_100000210759 [1,0,0,0,0,0|1,0,2]=4 1437 B12R0.234 CCCCCCCCOCC(=O)[13CH3] 1458a_100000759886_200025704644 [1,0,0,0,0,0|1,0,2]=4 1438 B12R0.234 CCCCCCCOCCC(=O)C 34a_100000759926_100000210614 [1,0,0,0,0,0|1,0,2]=4 1439 B12R0.234 CCCCCCCOCCC(=O)C 7a_100000210272_100000053229 [1,0,0,0,0,0|1,0,2]=4 1440 B12R0.234 CCCCCCCOCCC(=O)C 7a_100000759926_100000210614 [1,0,0,0,0,0|1,0,2]=4 1441 B12R0.234 CCCCCCCSCCC(=O)C 62a_100000053229_100000210316 [1,0,0,0,0,0|1,0,2]=4 1442 B12R0.234 CCCCCCCSCCC(=O)C 62a_100000210614_100000053229 [1,0,0,0,0,0|1,0,2]=4 1443 B12R0.234 CCCCCCOCCCC(=O)C 34a_100000210259_100000685027 [1,0,0,0,0,0|1,0,2]=4 1444 B12R0.234 CCCCCCOCCCC(=O)C 34a_100000759063_100000210314 [1,0,0,0,0,0|1,0,2]=4 1445 B12R0.234 CCCCCCOCCCC(=O)C 7a_100000210259_100011215641 [1,0,0,0,0,0|1,0,2]=4 1446 B12R0.234 CCCCCCOCCCC(=O)C 7a_100000759063_100000210314 [1,0,0,0,0,0|1,0,2]=4 1447 B12R0.234 CCCCCCSCCCC(=O)C 62a_100000210314_100011215641 [1,0,0,0,0,0|1,0,2]=4 1448 B12R0.234 CCCCCCSCCCC(=O)C 62a_100011215641_100000210757 [1,0,0,0,0,0|1,0,2]=4 1449 B12R0.234 CCCCCOCCCCC(=O)C 34a_100000210253_100009817362 [1,0,0,0,0,0|1,0,2]=4 1450 B12R0.234 CCCCCOCCCCC(=O)C 7a_100000210253_100000735457 [1,0,0,0,0,0|1,0,2]=4 1451 B12R0.234 CCCCCSCCCCC(=O)C 62a_100000210326_100000735457 [1,0,0,0,0,0|1,0,2]=4 1452 B12R0.234 CCCCCSCCCCC(=O)C 62a_100000735457_100000210326 [1,0,0,0,0,0|1,0,2]=4 1453 B12R0.234 CNCCCOCCCCC(=O)C 34a_100000213112_100009817362 [1,0,0,0,0,0|2,0,1]=4 1454 B12R0.234 COCCCCCCNCC(=O)O 269956a_100016091260_100011998445 [1,0,0,0,0,0|2,0,1]=4 1455 B12R0.234 COCCCCCCOCC(=O)C 34a_100000211253_100011998445 [1,0,0,0,0,0|2,0,1]=4 1456 B12R0.234 COCCCCOCCCC(=O)C 34a_100000740925_100000685027 [1,0,0,0,0,0|2,0,1]=4 1457 B12R0.234 COCCCCOCCCC(=O)C 34a_100000759063_100000755781 [1,0,0,0,0,0|2,0,1]=4 1458 B12R0.234 COCCCCOCCCC(=O)C 7a_100000759063_100000730899 [1,0,0,0,0,0|2,0,1]=4 1459 B12R0.234 COCCCCSCCCC(=O)C 62a_100000730899_100011215641 [1,0,0,0,0,0|2,0,1]=4 1460 B12R0.234 COCCCCSCCCC(=O)C 62a_100011215641_100000730899 [1,0,0,0,0,0|2,0,1]=4 1461 B12R0.234 COCCCNCCCCC(=O)C 34a_100150723488_100009817362 [1,0,0,0,0,0|2,0,1]=4 1462 B12R0.234 COCCCOCCCCC(=O)C 34a_100000740835_100009817362 [1,0,0,0,0,0|2,0,1]=4 1463 B12R0.234 COCCCSCCCCC(=O)C 62a_100000709357_100000735457 [1,0,0,0,0,0|2,0,1]=4 1464 B12R0.234 COCCCSCCCCC(=O)C 62a_100000735457_100000709357 [1,0,0,0,0,0|2,0,1]=4 1465 B12R0.234 CS(=O)CCCNCCCCC=O 2230a_200000753449_100000139335 [1,0,0,0,0,0|3,0,0]=4 1466 B12R0.234 CSCCCCOCCCC(=O)C 34a_100011217163_100000685027 [1,0,0,0,0,0|2,0,1]=4 1467 B12R0.234 CSCCCCOCCCC(=O)C 7a_100011217163_100011215641 [1,0,0,0,0,0|2,0,1]=4 1468 B12R0.234 CSCCCOCCCCC(=O)C 34a_100000690336_100009817362 [1,0,0,0,0,0|2,0,1]=4 1469 B12R0.234 CSCCCOCCCCC(=O)C 7a_100000690336_100000735457 [1,0,0,0,0,0|2,0,1]=4 1470 B12R0.234 N#CCCCCCCNCC(=O)O 269956a_100016091260_100009813337 [1,0,0,0,0,0|2,0,1]=4 1471 B12R0.234 NC(=O)CCCCOCCCC=O 7a_100012022536_200011292268 [1,0,0,0,0,0|3,0,0]=4 1472 B12R0.234 NC(=O)CCCSCCCCC=O 62a_100000139335_100102525003 [1,0,0,0,0,0|3,0,0]=4 1473 B12R0.234 NC(=O)CCCSCCCCC=O 62a_100102525003_100000139335 [1,0,0,0,0,0|3,0,0]=4 1474 B12R0.234 NC(=O)CCOCCCCCC=O 7a_100000757172_100000139337 [1,0,0,0,0,0|3,0,0]=4 1475 B12R0.234 NC(=O)CCSCCCCCC=O 62a_100000139337_100000744528 [1,0,0,0,0,0|3,0,0]=4 1476 B12R0.234 NC(=O)CCSCCCCCC=O 62a_100000744528_100000139337 [1,0,0,0,0,0|3,0,0]=4 1477 B12R0.234 O=C(O)CNCCCCCCCO 269956a_100016091260_100000760002 [1,0,0,0,0,0|2,0,1]=4 1478 B12R0.234 O=CCCCCCNOCC(=O)O 269956a_100000106656_100000139337 [1,0,0,0,0,0|3,0,0]=4 1479 B12R0.234 O=CCCCNCCOCC(=O)O 269956a_100000700818_200011292268 [1,0,0,0,0,0|3,0,0]=4 1480 B12R0.234 [13CH3]C(=O)CCCCCCCCCF 1458a_200009909015_200025704644 [1,0,0,0,0,0|1,0,1]=3 1481 B12R0.248 C#CC(=O)CCCCCCCC=C 1458a_100000211873_100012355270 [1,0,0,0,0,0|1,0,1]=3 1482 B12R0.248 C#CC(=O)CCCCCCCCC 1458a_100000211873_100000210670 [1,0,0,0,0,0|1,0,2]=4 1483 B12R0.248 C#CC(=O)CCCCCCCCO 1458a_100000211873_100000033203 [1,0,0,0,0,0|2,0,1]=4 1484 B12R0.248 C#CCCCCCCCC(=O)CC 1458a_100000087357_100000210202 [1,0,0,0,0,0|1,0,2]=4 1485 B12R0.248 C#CCCCCCCCC(=O)CC 1458a_100000210414_100153394163 [1,0,0,0,0,0|1,0,2]=4 1486 B12R0.248 C#CCCCCCCCC(=O)NC 11a_106832991635_100000087357 [1,0,0,0,0,0|1,0,2]=4 1487 B12R0.248 C#CCCCCCCCC(=O)NC 1626a_100102657272_100000087357 [1,0,0,0,0,0|1,0,2]=4 1488 B12R0.248 C#CCCCCCCCC(=O)NC 240690a_100102657272_100000087357 [1,0,0,0,0,0|1,0,2]=4 1489 B12R0.248 C#CCCCCCCCC(=O)NC 527a_100102657272_100000087357 [1,0,0,0,0,0|1,0,2]=4 1490 B12R0.248 C#CCCCCCOCC(=O)OC 34a_100000766912_100000747449 [1,0,0,0,0,0|1,0,2]=4 1491 B12R0.248 C#CCCCCCOCC(=O)OC 7a_100000766912_100000747449 [1,0,0,0,0,0|1,0,2]=4 1492 B12R0.248 C#CCCCCCSCC(=O)OC 62a_100000747449_100012094781 [1,0,0,0,0,0|1,0,2]=4 1493 B12R0.248 C#CCCCCCSCC(=O)OC 62a_100012094781_100000747449 [1,0,0,0,0,0|1,0,2]=4 1494 B12R0.248 C#CCCCCNCCC(=O)OC 2230a_100000706060_100000204255 [1,0,0,0,0,0|1,0,2]=4 1495 B12R0.248 C#CCCCCNCCC(=O)OC 34a_100000706060_100000742370 [1,0,0,0,0,0|1,0,2]=4 1496 B12R0.248 C#CCCCCOCCC(=O)OC 34a_100000766709_100000742370 [1,0,0,0,0,0|1,0,2]=4 1497 B12R0.248 C#CCCCCOCCC(=O)OC 7a_100000766709_100000204255 [1,0,0,0,0,0|1,0,2]=4 1498 B12R0.248 C#CCCCCSCCC(=O)OC 62a_100000204255_100010269958 [1,0,0,0,0,0|1,0,2]=4 1499 B12R0.248 C#CCCCCSCCC(=O)OC 62a_100010269958_100000204255 [1,0,0,0,0,0|1,0,2]=4 1500 B12R0.248 C#CCCCNCCCC(=O)OC 34a_100000718082_100000742333 [1,0,0,0,0,0|1,0,2]=4 1501 B12R0.248 C#CCCCOCCCC(=O)OC 34a_100000215630_100000742333 [1,0,0,0,0,0|1,0,2]=4 1502 B12R0.248 C#CCCCOCCCC(=O)OC 7a_100000215630_100011218270 [1,0,0,0,0,0|1,0,2]=4 1503 B12R0.248 C#CCCCSCCCC(=O)OC 62a_100011215417_100011218270 [1,0,0,0,0,0|1,0,2]=4 1504 B12R0.248 C#CCCCSCCCC(=O)OC 62a_100011218270_100011215417 [1,0,0,0,0,0|1,0,2]=4 1505 B12R0.248 C#CCCNCCCCC(=O)OC 34a_100000755551_100000204269 [1,0,0,0,0,0|1,0,2]=4 1506 B12R0.248 C#CCCOCCCCC(=O)OC 34a_100000059025_100000688953 [1,0,0,0,0,0|1,0,2]=4 1507 B12R0.248 C#CCCOCCCCC(=O)OC 34a_100011215631_100000204269 [1,0,0,0,0,0|1,0,2]=4 1508 B12R0.248 C#CCCOCCCCC(=O)OC 7a_100000059025_100000688953 [1,0,0,0,0,0|1,0,2]=4 1509 B12R0.248 C#CCCSCCCCC(=O)OC 62a_100000204269_100000688953 [1,0,0,0,0,0|1,0,2]=4 1510 B12R0.248 C#CCCSCCCCC(=O)OC 62a_100000688953_100000204269 [1,0,0,0,0,0|1,0,2]=4 1511 B12R0.248 C#CCNCCCCCC(=O)OC 34a_100000212058_100009816466 [1,0,0,0,0,0|1,0,2]=4 1512 B12R0.248 C#CCOCCCCCC(=O)OC 34a_100000074720_100000184674 [1,0,0,0,0,0|1,0,2]=4 1513 B12R0.248 C#CCOCCCCCC(=O)OC 34a_100000210247_100009816466 [1,0,0,0,0,0|1,0,2]=4 1514 B12R0.248 C#CCOCCCCCC(=O)OC 7a_100000074720_100000038162 [1,0,0,0,0,0|1,0,2]=4 1515 B12R0.248 C#CCSCCCCCC(=O)OC 62a_100000038162_100009816466 [1,0,0,0,0,0|1,0,2]=4 1516 B12R0.248 C/C=C/CCOCCCC(=O)OC 34a_100016278192_100000742333 [1,0,0,0,0,0|1,0,2]=4 1517 B12R0.248 C/C=C/COCCCCC(=O)OC 34a_100000059025_100102629194 [1,0,0,0,0,0|1,0,2]=4 1518 B12R0.248 C/C=C/COCCCCC(=O)OC 34a_100016270725_100000204269 [1,0,0,0,0,0|1,0,2]=4 1519 B12R0.248 C/C=C/COCCCCC(=O)OC 7a_100000059025_100102629194 [1,0,0,0,0,0|1,0,2]=4 1520 B12R0.248 C/C=C/CSCCCCC(=O)OC 62a_100000204269_100102629194 [1,0,0,0,0,0|1,0,2]=4 1521 B12R0.248 C/C=C/CSCCCCC(=O)OC 62a_100102629194_100000204269 [1,0,0,0,0,0|1,0,2]=4 1522 B12R0.248 C=CC(=O)CCCCCCCCC 1458a_100000185746_100000210670 [1,0,0,0,0,0|1,0,2]=4 1523 B12R0.248 C=CC(=O)CCCCCCCCO 1458a_100000185746_100000033203 [1,0,0,0,0,0|2,0,1]=4 1524 B12R0.248 C=CCCCCCCCC(=O)C=C 1458a_100000185746_100012355270 [1,0,0,0,0,0|1,0,1]=3 1525 B12R0.248 C=CCCCCCCCC(=O)CC 1458a_100000210414_100012355270 [1,0,0,0,0,0|1,0,0]=2 1526 B12R0.248 C=CCCCCCCCC(=O)CC 1458a_100011216160_100000210202 [1,0,0,0,0,0|1,0,0]=2 1527 B12R0.248 C=CCCCCCCCC(=O)CF 1458a_100011216160_100015361967 [1,0,0,0,0,0|2,0,0]=3 1528 B12R0.248 C=CCCCCCCCC(=O)CO 1458a_100000210174_100012355270 [1,0,0,0,0,0|2,0,0]=3 1529 B12R0.248 C=CCCCCCCCC(=O)NC 11a_106832991635_100011216160 [1,0,0,0,0,0|1,0,0]=2 1530 B12R0.248 C=CCCCCCCCC(=O)NC 1626a_100102657272_100011216160 [1,0,0,0,0,0|1,0,0]=2 1531 B12R0.248 C=CCCCCCCCC(=O)NC 240690a_100102657272_100011216160 [1,0,0,0,0,0|1,0,0]=2 1532 B12R0.248 C=CCCCCCCCC(=O)NC 527a_100102657272_100011216160 [1,0,0,0,0,0|1,0,0]=2 1533 B12R0.248 C=CCCCCCCCN(C)CC 2230a_100000225621_100012355270 [1,0,0,0,0,0|3,0,0]=4 1534 B12R0.248 C=CCCCCCCCN(C)CC 269982a_100000225621_100012355270 [1,0,0,0,0,0|3,0,0]=4 1535 B12R0.248 C=CCCCCCCSC(C)OC 62a_100009879195_100011215473 [1,0,0,0,0,0|2,0,1]=4 1536 B12R0.248 C=CCCCCCCSC(C)OC 62a_100011215473_100009879195 [1,0,0,0,0,0|2,0,1]=4 1537 B12R0.248 C=CCCCCCNCC(=O)NC 2230a_100000693194_100000700193 [1,0,0,0,0,0|2,0,0]=3 1538 B12R0.248 C=CCCCCCNC[C@@H](C)OC 2230a_100020591295_100000700193 [1,0,0,0,0,0|2,0,1]=4 1539 B12R0.248 C=CCCCCCOCC(=O)CC 34a_100000725409_100000700193 [1,0,0,0,0,0|2,0,0]=3 1540 B12R0.248 C=CCCCCCOCC(=O)CC 7a_100011216702_100000747405 [1,0,0,0,0,0|2,0,0]=3 1541 B12R0.248 C=CCCCCCOCC(=O)NC 34a_100000750040_100000700193 [1,0,0,0,0,0|2,0,0]=3 1542 B12R0.248 C=CCCCCCOCC(=O)NC 34a_100011216702_100000183359 [1,0,0,0,0,0|2,0,0]=3 1543 B12R0.248 C=CCCCCCOCC(=O)NC 7a_100011216702_100000183359 [1,0,0,0,0,0|2,0,0]=3 1544 B12R0.248 C=CCCCCCOCC(=O)OC 34a_100011216702_100000747449 [1,0,0,0,0,0|1,0,0]=2 1545 B12R0.248 C=CCCCCCOCC(=O)OC 7a_100011216702_100000747449 [1,0,0,0,0,0|1,0,0]=2 1546 B12R0.248 C=CCCCCCOCC(C)OC 34a_100000690652_100000700193 [1,0,0,0,0,0|2,0,1]=4 1547 B12R0.248 C=CCCCCCSCC(=O)CC 62a_100000700193_100000747405 [1,0,0,0,0,0|2,0,0]=3 1548 B12R0.248 C=CCCCCCSCC(=O)CC 62a_100000747405_100000700193 [1,0,0,0,0,0|2,0,0]=3 1549 B12R0.248 C=CCCCCCSCC(=O)NC 62a_100000183359_100000700193 [1,0,0,0,0,0|2,0,0]=3 1550 B12R0.248 C=CCCCCCSCC(=O)NC 62a_100000700193_100000183359 [1,0,0,0,0,0|2,0,0]=3 1551 B12R0.248 C=CCCCCCSCC(=O)OC 62a_100000700193_100000747449 [1,0,0,0,0,0|1,0,0]=2 1552 B12R0.248 C=CCCCCCSCC(=O)OC 62a_100000747449_100000700193 [1,0,0,0,0,0|1,0,0]=2 1553 B12R0.248 C=CCCCCNCCC(=O)NC 2230a_100000703577_100000737683 [1,0,0,0,0,0|2,0,0]=3 1554 B12R0.248 C=CCCCCNCCC(=O)NC 2230a_100000738227_100011215482 [1,0,0,0,0,0|2,0,0]=3 1555 B12R0.248 C=CCCCCNCCC(=O)NC 34a_100000703577_100012179268 [1,0,0,0,0,0|2,0,0]=3 1556 B12R0.248 C=CCCCCNCCC(=O)NC 34a_100000738227_100011215482 [1,0,0,0,0,0|2,0,0]=3 1557 B12R0.248 C=CCCCCNCCC(=O)OC 2230a_100000703577_100000204255 [1,0,0,0,0,0|1,0,0]=2 1558 B12R0.248 C=CCCCCNCCC(=O)OC 34a_100000703577_100000742370 [1,0,0,0,0,0|1,0,0]=2 1559 B12R0.248 C=CCCCCOCCC(=O)NC 34a_100000754576_100011215482 [1,0,0,0,0,0|2,0,0]=3 1560 B12R0.248 C=CCCCCOCCC(=O)NC 34a_100000766645_100012179268 [1,0,0,0,0,0|2,0,0]=3 1561 B12R0.248 C=CCCCCOCCC(=O)NC 7a_100000766645_100000737683 [1,0,0,0,0,0|2,0,0]=3 1562 B12R0.248 C=CCCCCOCCC(=O)OC 34a_100000766645_100000742370 [1,0,0,0,0,0|1,0,0]=2 1563 B12R0.248 C=CCCCCOCCC(=O)OC 7a_100000766645_100000204255 [1,0,0,0,0,0|1,0,0]=2 1564 B12R0.248 C=CCCCCOCCC(C)OC 7a_100000764861_100011215482 [1,0,0,0,0,0|2,0,1]=4 1565 B12R0.248 C=CCCCCSCCC(=O)NC 62a_100000737683_100011215482 [1,0,0,0,0,0|2,0,0]=3 1566 B12R0.248 C=CCCCCSCCC(=O)NC 62a_100011215482_100000737683 [1,0,0,0,0,0|2,0,0]=3 1567 B12R0.248 C=CCCCCSCCC(=O)OC 62a_100000204255_100011215482 [1,0,0,0,0,0|1,0,0]=2 1568 B12R0.248 C=CCCCCSCCC(=O)OC 62a_100011215482_100000204255 [1,0,0,0,0,0|1,0,0]=2 1569 B12R0.248 C=CCCCCSCOC(=O)OC 62a_100011215482_100000139417 [1,0,0,0,0,0|2,0,0]=3 1570 B12R0.248 C=CCCCNC/C=C/C(=O)OC 2230a_100000700776_100000742655 [1,0,0,0,0,0|1,0,2]=4 1571 B12R0.248 C=CCCCNC/C=C/C(=O)OC 34a_100000700776_100000742655 [1,0,0,0,0,0|1,0,2]=4 1572 B12R0.248 C=CCCCNCCCC(=O)NC 2230a_100000700776_100000741757 [1,0,0,0,0,0|2,0,0]=3 1573 B12R0.248 C=CCCCNCCCC(=O)NC 2230a_100000740002_100011713584 [1,0,0,0,0,0|2,0,0]=3 1574 B12R0.248 C=CCCCNCCCC(=O)NC 34a_100000700776_100000741757 [1,0,0,0,0,0|2,0,0]=3 1575 B12R0.248 C=CCCCNCCCC(=O)NC 34a_100000740002_100000757094 [1,0,0,0,0,0|2,0,0]=3 1576 B12R0.248 C=CCCCNCCCC(=O)OC 2230a_100000700776_100011218270 [1,0,0,0,0,0|1,0,0]=2 1577 B12R0.248 C=CCCCNCCCC(=O)OC 34a_100000700776_100000742333 [1,0,0,0,0,0|1,0,0]=2 1578 B12R0.248 C=CCCCNCCNC(=O)CC 34a_100132302217_100000757094 [1,0,0,0,0,0|3,0,0]=4 1579 B12R0.248 C=CCCCNCCNC(=O)NC 34a_100015205895_100000757094 [1,0,0,0,0,0|3,0,0]=4 1580 B12R0.248 C=CCCCNCCOC(=O)NC 34a_100000700776_200011997002 [1,0,0,0,0,0|3,0,0]=4 1581 B12R0.248 C=CCCCOC/C=C/C(=O)OC 34a_100000758997_100000742655 [1,0,0,0,0,0|1,0,2]=4 1582 B12R0.248 C=CCCCOC/C=C/C(=O)OC 7a_100000758997_100000742655 [1,0,0,0,0,0|1,0,2]=4 1583 B12R0.248 C=CCCCOCCCC(=O)NC 34a_100000758997_100000741757 [1,0,0,0,0,0|2,0,0]=3 1584 B12R0.248 C=CCCCOCCCC(=O)NC 7a_100000758997_100000741757 [1,0,0,0,0,0|2,0,0]=3 1585 B12R0.248 C=CCCCOCCCC(=O)NN 34a_100000211488_100000757094 [1,0,0,0,0,0|3,0,0]=4 1586 B12R0.248 C=CCCCOCCCC(=O)OC 34a_100000758997_100000742333 [1,0,0,0,0,0|1,0,0]=2 1587 B12R0.248 C=CCCCOCCCC(=O)OC 7a_100000758997_100011218270 [1,0,0,0,0,0|1,0,0]=2 1588 B12R0.248 C=CCCCOCCNC(=O)CC 34a_200000158885_100000757094 [1,0,0,0,0,0|3,0,0]=4 1589 B12R0.248 C=CCCCOCCNC(=O)CC 7a_200000158885_100000757094 [1,0,0,0,0,0|3,0,0]=4 1590 B12R0.248 C=CCCCOCCNC(=O)OC 34a_100000757965_100000757094 [1,0,0,0,0,0|2,0,0]=3 1591 B12R0.248 C=CCCCOCCOC(=O)CC 7a_200000031056_100000757094 [1,0,0,0,0,0|3,0,0]=4 1592 B12R0.248 C=CCCCOCCOC(=O)NC 34a_100000758997_200011997002 [1,0,0,0,0,0|3,0,0]=4 1593 B12R0.248 C=CCCCOCCOC(=O)NC 7a_100000758997_200011997002 [1,0,0,0,0,0|3,0,0]=4 1594 B12R0.248 C=CCCCOCCOC(=O)OC 34a_100010262106_100000757094 [1,0,0,0,0,0|2,0,0]=3 1595 B12R0.248 C=CCCCSC/C=C/C(=O)OC 62a_100000742655_100000757094 [1,0,0,0,0,0|1,0,2]=4 1596 B12R0.248 C=CCCCSC/C=C/C(=O)OC 62a_100011713584_100000742655 [1,0,0,0,0,0|1,0,2]=4 1597 B12R0.248 C=CCCCSCCCC(=O)NC 62a_100000741757_100000757094 [1,0,0,0,0,0|2,0,0]=3 1598 B12R0.248 C=CCCCSCCCC(=O)NC 62a_100011713584_100000741757 [1,0,0,0,0,0|2,0,0]=3 1599 B12R0.248 C=CCCCSCCCC(=O)OC 62a_100011218270_100000757094 [1,0,0,0,0,0|1,0,0]=2 1600 B12R0.248 C=CCCCSCCCC(=O)OC 62a_100011713584_100011218270 [1,0,0,0,0,0|1,0,0]=2 1601 B12R0.248 C=CCCCSCCOC(=O)NC 62a_100011713584_200011997002 [1,0,0,0,0,0|3,0,0]=4 1602 B12R0.248 C=CCCCSCCOC(=O)NC 62a_200011997002_100000757094 [1,0,0,0,0,0|3,0,0]=4 1603 B12R0.248 C=CCCNCCCCC(=O)OC 2230a_100015191253_100000204269 [1,0,0,0,0,0|1,0,0]=2 1604 B12R0.248 C=CCCNCCOCC(=O)OC 2230a_100015191253_100000090808 [1,0,0,0,0,0|2,0,0]=3 1605 B12R0.248 C=CCCOCCCCC(=O)OC 34a_100000059025_100000754431 [1,0,0,0,0,0|1,0,0]=2 1606 B12R0.248 C=CCCOCCCCC(=O)OC 34a_100011205117_100000204269 [1,0,0,0,0,0|1,0,0]=2 1607 B12R0.248 C=CCCOCCCCC(=O)OC 7a_100000059025_100000754431 [1,0,0,0,0,0|1,0,0]=2 1608 B12R0.248 C=CCCOCCOCC(=O)OC 34a_100011205117_100000090808 [1,0,0,0,0,0|2,0,0]=3 1609 B12R0.248 C=CCCSCCCCC(=O)OC 62a_100000204269_100000754431 [1,0,0,0,0,0|1,0,0]=2 1610 B12R0.248 C=CCCSCCCCC(=O)OC 62a_100000754431_100000204269 [1,0,0,0,0,0|1,0,0]=2 1611 B12R0.248 C=CCCSCCOCC(=O)OC 62a_100000090808_100000754431 [1,0,0,0,0,0|2,0,0]=3 1612 B12R0.248 C=CCCSCCOCC(=O)OC 62a_100000754431_100000090808 [1,0,0,0,0,0|2,0,0]=3 1613 B12R0.248 C=CCNCCCCCC(=O)OC 2230a_100020586998_100009816466 [1,0,0,0,0,0|1,0,0]=2 1614 B12R0.248 C=CCOCCCCCC(=O)OC 34a_100000074720_100015514636 [1,0,0,0,0,0|1,0,0]=2 1615 B12R0.248 C=CCOCCCCCC(=O)OC 34a_200000210373_100009816466 [1,0,0,0,0,0|1,0,0]=2 1616 B12R0.248 C=CCOCCCCCC(=O)OC 7a_100000074720_100015514636 [1,0,0,0,0,0|1,0,0]=2 1617 B12R0.248 C=CCOCCOCCC(=O)NC 34a_100000037705_100012179268 [1,0,0,0,0,0|3,0,0]=4 1618 B12R0.248 C=CCOCCOCCC(=O)NC 7a_100000037705_100000737683 [1,0,0,0,0,0|3,0,0]=4 1619 B12R0.248 C=CCOCCOCCC(=O)OC 34a_100000037705_100000742370 [1,0,0,0,0,0|2,0,0]=3 1620 B12R0.248 C=CCOCCOCCC(=O)OC 7a_100000037705_100000204255 [1,0,0,0,0,0|2,0,0]=3 1621 B12R0.248 C=CCSCCCCCC(=O)OC 62a_100000210623_100009816466 [1,0,0,0,0,0|1,0,0]=2 1622 B12R0.248 C=CCSCCCCCC(=O)OC 62a_100009816466_100000210623 [1,0,0,0,0,0|1,0,0]=2 1623 B12R0.248 C=COCCCCOCC(=O)CC 7a_100000031558_100000747405 [1,0,0,0,0,0|3,0,0]=4 1624 B12R0.248 C=COCCCCOCC(=O)NC 34a_100000031558_100000183359 [1,0,0,0,0,0|3,0,0]=4 1625 B12R0.248 C=COCCCCOCC(=O)NC 7a_100000031558_100000183359 [1,0,0,0,0,0|3,0,0]=4 1626 B12R0.248 C=COCCCCOCC(=O)OC 34a_100000031558_100000747449 [1,0,0,0,0,0|2,0,0]=3 1627 B12R0.248 C=COCCCCOCC(=O)OC 7a_100000031558_100000747449 [1,0,0,0,0,0|2,0,0]=3 1628 B12R0.248 C=COCCCNCCC(=O)NC 2230a_100000210767_100000737683 [1,0,0,0,0,0|3,0,0]=4 1629 B12R0.248 C=COCCCNCCC(=O)NC 34a_100000210767_100012179268 [1,0,0,0,0,0|3,0,0]=4 1630 B12R0.248 C=COCCCNCCC(=O)OC 2230a_100000210767_100000204255 [1,0,0,0,0,0|2,0,0]=3 1631 B12R0.248 C=COCCCNCCC(=O)OC 34a_100000210767_100000742370 [1,0,0,0,0,0|2,0,0]=3 1632 B12R0.248 C=COCCNCCCC(=O)NC 2230a_100000740002_100000039644 [1,0,0,0,0,0|3,0,0]=4 1633 B12R0.248 C=COCCNCCCC(=O)NC 34a_100000740002_100000039644 [1,0,0,0,0,0|3,0,0]=4 1634 B12R0.248 C=COCCOCCCC(=O)NC 34a_100000033082_100000741757 [1,0,0,0,0,0|3,0,0]=4 1635 B12R0.248 C=COCCOCCCC(=O)OC 34a_100000033082_100000742333 [1,0,0,0,0,0|2,0,0]=3 1636 B12R0.248 C=COCCOCCNC(=O)OC 34a_100000757965_100000039644 [1,0,0,0,0,0|3,0,0]=4 1637 B12R0.248 C=COCCOCCOC(=O)OC 34a_100010262106_100000039644 [1,0,0,0,0,0|3,0,0]=4 1638 B12R0.248 C=COCCSCCCC(=O)NC 62a_100000039644_100000741757 [1,0,0,0,0,0|3,0,0]=4 1639 B12R0.248 C=COCCSCCCC(=O)NC 62a_100000741757_100000039644 [1,0,0,0,0,0|3,0,0]=4 1640 B12R0.248 C=COCCSCCCC(=O)OC 62a_100000039644_100011218270 [1,0,0,0,0,0|2,0,0]=3 1641 B12R0.248 C=COCCSCCCC(=O)OC 62a_100011218270_100000039644 [1,0,0,0,0,0|2,0,0]=3 1642 B12R0.248 CC=CCCCOCCC(=O)OC 34a_100020645299_100000742370 [1,0,0,0,0,0|1,0,2]=4 1643 B12R0.248 CC=CCOCCCCC(=O)OC 34a_100000059025_100000070051 [1,0,0,0,0,0|1,0,2]=4 1644 B12R0.248 CC=CCOCCCCC(=O)OC 7a_100000059025_100000070051 [1,0,0,0,0,0|1,0,2]=4 1645 B12R0.248 CC=CCSCCCCC(=O)OC 62a_100000070051_100000204269 [1,0,0,0,0,0|1,0,2]=4 1646 B12R0.248 CC=CCSCCCCC(=O)OC 62a_100000204269_100000070051 [1,0,0,0,0,0|1,0,2]=4 1647 B12R0.248 CCC(=O)CCCCCCCCO 1458a_100000210414_100000033203 [1,0,0,0,0,0|2,0,0]=3 1648 B12R0.248 CCC(=O)COCCCCCCBr 7a_100011215345_100000747405 [1,0,0,0,0,0|3,0,0]=4 1649 B12R0.248 CCC(=O)COCCCCCCCl 7a_100000766143_100000747405 [1,0,0,0,0,0|3,0,0]=4 1650 B12R0.248 CCC(=O)COCCCCCCF 34a_100000725409_100015922095 [1,0,0,0,0,0|3,0,0]=4 1651 B12R0.248 CCC(=O)COCCCCCCF 7a_100000732779_100000747405 [1,0,0,0,0,0|3,0,0]=4 1652 B12R0.248 CCC(=O)COCCCCCCO 34a_100000725409_100000766143 [1,0,0,0,0,0|3,0,0]=4 1653 B12R0.248 CCC(=O)CSCCCCCC=O 62a_100000139337_100000747405 [1,0,0,0,0,0|3,0,0]=4 1654 B12R0.248 CCC(=O)CSCCCCCC=O 62a_100000747405_100000139337 [1,0,0,0,0,0|3,0,0]=4 1655 B12R0.248 CCC(=O)CSCCCCCCF 62a_100000747405_100015922095 [1,0,0,0,0,0|3,0,0]=4 1656 B12R0.248 CCC(=O)CSCCCCCCF 62a_100015922095_100000747405 [1,0,0,0,0,0|3,0,0]=4 1657 B12R0.248 CCC(=O)CSCCCCCCO 62a_100000747405_100000766143 [1,0,0,0,0,0|3,0,0]=4 1658 B12R0.248 CCC(=O)CSCCCCCCO 62a_100000766143_100000747405 [1,0,0,0,0,0|3,0,0]=4 1659 B12R0.248 CCC(=O)NCCCCCCCO 240690a_100011996573_100000210414 [1,0,0,0,0,0|3,0,0]=4 1660 B12R0.248 CCCCCCCCCC(=O)CC 1458a_100000210414_100000210670 [1,0,0,0,0,0|1,0,1]=3 1661 B12R0.248 CCCCCCCCCC(=O)CC 1458a_100000210558_100000210202 [1,0,0,0,0,0|1,0,1]=3 1662 B12R0.248 CCCCCCCCCC(=O)CF 1458a_100000210558_100015361967 [1,0,0,0,0,0|2,0,1]=4 1663 B12R0.248 CCCCCCCCCC(=O)CO 1458a_100000210174_100000210670 [1,0,0,0,0,0|2,0,1]=4 1664 B12R0.248 CCCCCCCCCC(=O)NC 11a_106832991635_100000210558 [1,0,0,0,0,0|1,0,1]=3 1665 B12R0.248 CCCCCCCCCC(=O)NC 1626a_100102657272_100000210558 [1,0,0,0,0,0|1,0,1]=3 1666 B12R0.248 CCCCCCCCCC(=O)NC 240690a_100102657272_100000210558 [1,0,0,0,0,0|1,0,1]=3 1667 B12R0.248 CCCCCCCCCC(=O)NC 527a_100102657272_100000210558 [1,0,0,0,0,0|1,0,1]=3 1668 B12R0.248 CCCCCCCCCC(C)OC 34a_100011218016_200000210301 [1,0,0,0,0,0|1,0,2]=4 1669 B12R0.248 CCCCCCCCCC(C)OC 7a_100011218016_200000210301 [1,0,0,0,0,0|1,0,2]=4 1670 B12R0.248 CCCCCCCCCC(C)O[13CH3] 34a_100011218016_200025704644 [1,0,0,0,0,0|1,0,2]=4 1671 B12R0.248 CCCCCCCCCC(C)O[13CH3] 7a_100011218016_200025704644 [1,0,0,0,0,0|1,0,2]=4 1672 B12R0.248 CCCCCCCCNC(=O)CC 11a_100000229939_100000210414 [1,0,0,0,0,0|2,0,1]=4 1673 B12R0.248 CCCCCCCCNC(=O)CC 1626a_100000229939_100000210414 [1,0,0,0,0,0|2,0,1]=4 1674 B12R0.248 CCCCCCCCNC(=O)CC 240690a_100000229939_100000210414 [1,0,0,0,0,0|2,0,1]=4 1675 B12R0.248 CCCCCCCCNC(=O)CC 527a_100000229939_100000210414 [1,0,0,0,0,0|2,0,1]=4 1676 B12R0.248 CCCCCCCCNC(=O)NC 2708a_100000229939_106832991635 [1,0,0,0,0,0|2,0,1]=4 1677 B12R0.248 CCCCCCCCNC(=O)NC 2708a_100102657272_100000229939 [1,0,0,0,0,0|2,0,1]=4 1678 B12R0.248 CCCCCCCCNC(=O)NC 273464a_100000229939_100102657272 [1,0,0,0,0,0|2,0,1]=4 1679 B12R0.248 CCCCCCCCNC(=O)NC 273464a_100102657272_100000229939 [1,0,0,0,0,0|2,0,1]=4 1680 B12R0.248 CCCCCCCCNC(=O)NC 512a_100000229939_100102657272 [1,0,0,0,0,0|2,0,1]=4 1681 B12R0.248 CCCCCCCCNC(=O)NC 512a_106832991638_100000229939 [1,0,0,0,0,0|2,0,1]=4 1682 B12R0.248 CCCCCCCNCC(=O)NC 2230a_100000229938_100000183359 [1,0,0,0,0,0|2,0,1]=4 1683 B12R0.248 CCCCCCCNCC(=O)NC 2230a_100000693194_100000210681 [1,0,0,0,0,0|2,0,1]=4 1684 B12R0.248 CCCCCCCNCC(=O)OC 2230a_100000229938_100000747449 [1,0,0,0,0,0|1,0,1]=3 1685 B12R0.248 CCCCCCCOCC(=O)CC 34a_100000725409_100000210614 [1,0,0,0,0,0|2,0,1]=4 1686 B12R0.248 CCCCCCCOCC(=O)CC 7a_100000210272_100000747405 [1,0,0,0,0,0|2,0,1]=4 1687 B12R0.248 CCCCCCCOCC(=O)NC 34a_100000210272_100000183359 [1,0,0,0,0,0|2,0,1]=4 1688 B12R0.248 CCCCCCCOCC(=O)NC 34a_100000750040_100000210614 [1,0,0,0,0,0|2,0,1]=4 1689 B12R0.248 CCCCCCCOCC(=O)NC 7a_100000210272_100000183359 [1,0,0,0,0,0|2,0,1]=4 1690 B12R0.248 CCCCCCCOCC(=O)OC 34a_100000210272_100000747449 [1,0,0,0,0,0|1,0,1]=3 1691 B12R0.248 CCCCCCCOCC(=O)OC 7a_100000210272_100000747449 [1,0,0,0,0,0|1,0,1]=3 1692 B12R0.248 CCCCCCCSCC(=O)CC 62a_100000210614_100000747405 [1,0,0,0,0,0|2,0,1]=4 1693 B12R0.248 CCCCCCCSCC(=O)CC 62a_100000747405_100000210316 [1,0,0,0,0,0|2,0,1]=4 1694 B12R0.248 CCCCCCCSCC(=O)NC 62a_100000183359_100000210316 [1,0,0,0,0,0|2,0,1]=4 1695 B12R0.248 CCCCCCCSCC(=O)NC 62a_100000210614_100000183359 [1,0,0,0,0,0|2,0,1]=4 1696 B12R0.248 CCCCCCCSCC(=O)OC 62a_100000210614_100000747449 [1,0,0,0,0,0|1,0,1]=3 1697 B12R0.248 CCCCCCCSCC(=O)OC 62a_100000747449_100000210316 [1,0,0,0,0,0|1,0,1]=3 1698 B12R0.248 CCCCCCNCCC(=O)NC 2230a_100000210581_100000737683 [1,0,0,0,0,0|2,0,1]=4 1699 B12R0.248 CCCCCCNCCC(=O)NC 2230a_100000738227_100000210314 [1,0,0,0,0,0|2,0,1]=4 1700 B12R0.248 CCCCCCNCCC(=O)NC 34a_100000738227_100000210314 [1,0,0,0,0,0|2,0,1]=4 1701 B12R0.248 CCCCCCNCCC(=O)OC 2230a_100000210581_100000204255 [1,0,0,0,0,0|1,0,1]=3 1702 B12R0.248 CCCCCCOCCC(=O)NC 34a_100000210259_100012179268 [1,0,0,0,0,0|2,0,1]=4 1703 B12R0.248 CCCCCCOCCC(=O)NC 34a_100000754576_100000210314 [1,0,0,0,0,0|2,0,1]=4 1704 B12R0.248 CCCCCCOCCC(=O)NC 7a_100000210259_100000737683 [1,0,0,0,0,0|2,0,1]=4 1705 B12R0.248 CCCCCCOCCC(=O)OC 34a_100000210259_100000742370 [1,0,0,0,0,0|1,0,1]=3 1706 B12R0.248 CCCCCCOCCC(=O)OC 7a_100000210259_100000204255 [1,0,0,0,0,0|1,0,1]=3 1707 B12R0.248 CCCCCCSCCC(=O)NC 62a_100000210314_100000737683 [1,0,0,0,0,0|2,0,1]=4 1708 B12R0.248 CCCCCCSCCC(=O)NC 62a_100000737683_100000210757 [1,0,0,0,0,0|2,0,1]=4 1709 B12R0.248 CCCCCCSCCC(=O)OC 62a_100000204255_100000210757 [1,0,0,0,0,0|1,0,1]=3 1710 B12R0.248 CCCCCCSCCC(=O)OC 62a_100000210314_100000204255 [1,0,0,0,0,0|1,0,1]=3 1711 B12R0.248 CCCCCCSCOC(=O)OC 62a_100000210314_100000139417 [1,0,0,0,0,0|2,0,1]=4 1712 B12R0.248 CCCCCNCCCC(=O)NC 2230a_100000209983_100000741757 [1,0,0,0,0,0|2,0,1]=4 1713 B12R0.248 CCCCCNCCCC(=O)NC 2230a_100000740002_100000210326 [1,0,0,0,0,0|2,0,1]=4 1714 B12R0.248 CCCCCNCCCC(=O)NC 34a_100000740002_100000718602 [1,0,0,0,0,0|2,0,1]=4 1715 B12R0.248 CCCCCNCCCC(=O)OC 2230a_100000209983_100011218270 [1,0,0,0,0,0|1,0,1]=3 1716 B12R0.248 CCCCCOCCCC(=O)NC 34a_100000210253_100000741757 [1,0,0,0,0,0|2,0,1]=4 1717 B12R0.248 CCCCCOCCCC(=O)NC 7a_100000210253_100000741757 [1,0,0,0,0,0|2,0,1]=4 1718 B12R0.248 CCCCCOCCCC(=O)OC 34a_100000210253_100000742333 [1,0,0,0,0,0|1,0,1]=3 1719 B12R0.248 CCCCCOCCCC(=O)OC 7a_100000210253_100011218270 [1,0,0,0,0,0|1,0,1]=3 1720 B12R0.248 CCCCCOCCNC(=O)OC 34a_100000757965_100000718602 [1,0,0,0,0,0|2,0,1]=4 1721 B12R0.248 CCCCCOCCOC(=O)OC 34a_100010262106_100000718602 [1,0,0,0,0,0|2,0,1]=4 1722 B12R0.248 CCCCCSCCCC(=O)NC 62a_100000210326_100000741757 [1,0,0,0,0,0|2,0,1]=4 1723 B12R0.248 CCCCCSCCCC(=O)NC 62a_100000741757_100000210326 [1,0,0,0,0,0|2,0,1]=4 1724 B12R0.248 CCCCCSCCCC(=O)OC 62a_100000210326_100011218270 [1,0,0,0,0,0|1,0,1]=3 1725 B12R0.248 CCCCCSCCCC(=O)OC 62a_100011218270_100000210326 [1,0,0,0,0,0|1,0,1]=3 1726 B12R0.248 CCCCNCCCCC(=O)OC 2230a_100000102301_100000204269 [1,0,0,0,0,0|1,0,1]=3 1727 B12R0.248 CCCCNCCCCC(=O)OC 7a_106832991798_100000204269 [1,0,0,0,0,0|1,0,1]=3 1728 B12R0.248 CCCCNCCOCC(=O)OC 2230a_100000102301_100000090808 [1,0,0,0,0,0|2,0,1]=4 1729 B12R0.248 CCCCNCCOCC(=O)OC 7a_106832991798_100000090808 [1,0,0,0,0,0|2,0,1]=4 1730 B12R0.248 CCCCOCCCCC(=O)OC 34a_100000059025_100000210210 [1,0,0,0,0,0|1,0,1]=3 1731 B12R0.248 CCCCOCCCCC(=O)OC 34a_100000210227_100000204269 [1,0,0,0,0,0|1,0,1]=3 1732 B12R0.248 CCCCOCCCCC(=O)OC 7a_100000059025_100000210211 [1,0,0,0,0,0|1,0,1]=3 1733 B12R0.248 CCCCOCCCCC(=O)OC 7a_100000210227_100000204269 [1,0,0,0,0,0|1,0,1]=3 1734 B12R0.248 CCCCOCCOCC(=O)OC 34a_100000210227_100000090808 [1,0,0,0,0,0|2,0,1]=4 1735 B12R0.248 CCCCOCCOCC(=O)OC 34a_100000210238_100000747449 [1,0,0,0,0,0|2,0,1]=4 1736 B12R0.248 CCCCOCCOCC(=O)OC 7a_100000210227_100000090808 [1,0,0,0,0,0|2,0,1]=4 1737 B12R0.248 CCCCOCCOCC(=O)OC 7a_100000210238_100000747449 [1,0,0,0,0,0|2,0,1]=4 1738 B12R0.248 CCCCOCCSCC(=O)OC 62a_100000743108_100000747449 [1,0,0,0,0,0|2,0,1]=4 1739 B12R0.248 CCCCOCCSCC(=O)OC 62a_100000747449_100000743108 [1,0,0,0,0,0|2,0,1]=4 1740 B12R0.248 CCCCOCSCCC(=O)OC 62a_100000204255_100011995733 [1,0,0,0,0,0|2,0,1]=4 1741 B12R0.248 CCCCOCSCCC(=O)OC 62a_100011995733_100000204255 [1,0,0,0,0,0|2,0,1]=4 1742 B12R0.248 CCCCSCCCCC(=O)OC 62a_100000204269_100000210210 [1,0,0,0,0,0|1,0,1]=3 1743 B12R0.248 CCCCSCCCCC(=O)OC 62a_100000210211_100000204269 [1,0,0,0,0,0|1,0,1]=3 1744 B12R0.248 CCCCSCCNCC(=O)OC 2230a_100025743550_100000747449 [1,0,0,0,0,0|2,0,1]=4 1745 B12R0.248 CCCCSCCOCC(=O)OC 34a_200000230436_100000747449 [1,0,0,0,0,0|2,0,1]=4 1746 B12R0.248 CCCCSCCOCC(=O)OC 62a_100000090808_100000210210 [1,0,0,0,0,0|2,0,1]=4 1747 B12R0.248 CCCCSCCOCC(=O)OC 62a_100000210211_100000090808 [1,0,0,0,0,0|2,0,1]=4 1748 B12R0.248 CCCCSCCOCC(=O)OC 7a_200000230436_100000747449 [1,0,0,0,0,0|2,0,1]=4 1749 B12R0.248 CCCOCCCCCC(=O)OC 34a_100000074720_100000210303 [1,0,0,0,0,0|1,0,1]=3 1750 B12R0.248 CCCOCCCCCC(=O)OC 34a_100000210258_100009816466 [1,0,0,0,0,0|1,0,1]=3 1751 B12R0.248 CCCOCCCCCC(=O)OC 7a_100000074720_100000210303 [1,0,0,0,0,0|1,0,1]=3 1752 B12R0.248 CCCOCCCNCC(=O)OC 2230a_100011217757_100000747449 [1,0,0,0,0,0|2,0,1]=4 1753 B12R0.248 CCCOCCCNCC(=O)OC 34a_100011217757_100000747449 [1,0,0,0,0,0|2,0,1]=4 1754 B12R0.248 CCCOCCNCCC(=O)OC 2230a_100161115042_100000204255 [1,0,0,0,0,0|2,0,1]=4 1755 B12R0.248 CCCOCCNCCC(=O)OC 34a_100161115042_100000742370 [1,0,0,0,0,0|2,0,1]=4 1756 B12R0.248 CCCOCCOCCC(=O)OC 34a_100000752267_100000742370 [1,0,0,0,0,0|2,0,1]=4 1757 B12R0.248 CCCOCCOCCC(=O)OC 7a_100000752267_100000204255 [1,0,0,0,0,0|2,0,1]=4 1758 B12R0.248 CCCOCCSCCC(=O)OC 62a_100000204255_100011215938 [1,0,0,0,0,0|2,0,1]=4 1759 B12R0.248 CCCOCCSCCC(=O)OC 62a_100011215938_100000204255 [1,0,0,0,0,0|2,0,1]=4 1760 B12R0.248 CCCSCCCCCC(=O)OC 62a_100000210303_100009816466 [1,0,0,0,0,0|1,0,1]=3 1761 B12R0.248 CCCSCCCCCC(=O)OC 62a_100009816466_100000210303 [1,0,0,0,0,0|1,0,1]=3 1762 B12R0.248 CCCSCCNCCC(=O)OC 2230a_100020603323_100000204255 [1,0,0,0,0,0|2,0,1]=4 1763 B12R0.248 CCCSCCOCCC(=O)OC 34a_200000230433_100000742370 [1,0,0,0,0,0|2,0,1]=4 1764 B12R0.248 CCCSCCOCCC(=O)OC 7a_200000230433_100000204255 [1,0,0,0,0,0|2,0,1]=4 1765 B12R0.248 CCNCCCCCCC(=O)OC 2230a_100015525214_100009815986 [1,0,0,0,0,0|1,0,1]=3 1766 B12R0.248 CCOCCCCCCC(=O)OC 34a_100009863599_100000210202 [1,0,0,0,0,0|1,0,1]=3 1767 B12R0.248 CCOCCCCCCC(=O)OC 34a_100121572206_100009815986 [1,0,0,0,0,0|1,0,1]=3 1768 B12R0.248 CCOCCCCCCC(=O)OC 7a_100009863599_100000210202 [1,0,0,0,0,0|1,0,1]=3 1769 B12R0.248 CCOCCCNCCC(=O)OC 2230a_100000210961_100000204255 [1,0,0,0,0,0|2,0,1]=4 1770 B12R0.248 CCOCCCNCCC(=O)OC 34a_100000210961_100000742370 [1,0,0,0,0,0|2,0,1]=4 1771 B12R0.248 CCOCCCOCCC(=O)OC 34a_100000757476_100000742370 [1,0,0,0,0,0|2,0,1]=4 1772 B12R0.248 CCOCCCOCCC(=O)OC 7a_100000757476_100000204255 [1,0,0,0,0,0|2,0,1]=4 1773 B12R0.248 CCOCCCSCCC(=O)OC 62a_100000204255_100012232248 [1,0,0,0,0,0|2,0,1]=4 1774 B12R0.248 CCOCCCSCCC(=O)OC 62a_100012232248_100000204255 [1,0,0,0,0,0|2,0,1]=4 1775 B12R0.248 CCOCCNCCCC(=O)OC 2230a_102516460346_100011218270 [1,0,0,0,0,0|2,0,1]=4 1776 B12R0.248 CCOCCNCCCC(=O)OC 34a_102516460346_100000742333 [1,0,0,0,0,0|2,0,1]=4 1777 B12R0.248 CCOCCOCCCC(=O)OC 34a_100000210136_100000742333 [1,0,0,0,0,0|2,0,1]=4 1778 B12R0.248 CCOCCOCCCC(=O)OC 7a_100000210136_100011218270 [1,0,0,0,0,0|2,0,1]=4 1779 B12R0.248 CCOCCSCCCC(=O)OC 62a_100000210147_100011218270 [1,0,0,0,0,0|2,0,1]=4 1780 B12R0.248 CCOCCSCCCC(=O)OC 62a_100011218270_100011215890 [1,0,0,0,0,0|2,0,1]=4 1781 B12R0.248 CCOCSCCCCC(=O)OC 62a_100000204269_100000739092 [1,0,0,0,0,0|2,0,1]=4 1782 B12R0.248 CCOCSCCCCC(=O)OC 62a_100000739092_100000204269 [1,0,0,0,0,0|2,0,1]=4 1783 B12R0.248 CCSCCCCCCC(=O)OC 62a_100000210202_100009815986 [1,0,0,0,0,0|1,0,1]=3 1784 B12R0.248 CCSCCCCCCC(=O)OC 62a_100009815986_100000210202 [1,0,0,0,0,0|1,0,1]=3 1785 B12R0.248 CCSCCCOCCC(=O)OC 34a_100011216438_100000742370 [1,0,0,0,0,0|2,0,1]=4 1786 B12R0.248 CCSCCCOCCC(=O)OC 7a_100011216438_100000204255 [1,0,0,0,0,0|2,0,1]=4 1787 B12R0.248 CCSCCNCCCC(=O)OC 2230a_100000106463_100011218270 [1,0,0,0,0,0|2,0,1]=4 1788 B12R0.248 CCSCCOCCCC(=O)OC 34a_100000212035_100000742333 [1,0,0,0,0,0|2,0,1]=4 1789 B12R0.248 CCSCCOCCCC(=O)OC 7a_100000212035_100011218270 [1,0,0,0,0,0|2,0,1]=4 1790 B12R0.248 CCSCCSCCCC(=O)OC 62a_100000757381_100011218270 [1,0,0,0,0,0|2,0,1]=4 1791 B12R0.248 CCSCCSCCCC(=O)OC 62a_100011218270_100000757381 [1,0,0,0,0,0|2,0,1]=4 1792 B12R0.248 CNC(=O)CCCCCCCCO 240690a_100102657272_100000015970 [1,0,0,0,0,0|2,0,0]=3 1793 B12R0.248 CNC(=O)CCCNCCCC=O 2230a_100000740002_200011292268 [1,0,0,0,0,0|3,0,0]=4 1794 B12R0.248 CNC(=O)CCCNCCCCF 2230a_100000740002_100000729493 [1,0,0,0,0,0|3,0,0]=4 1795 B12R0.248 CNC(=O)CCCNCCCCF 34a_100000740002_100000729493 [1,0,0,0,0,0|3,0,0]=4 1796 B12R0.248 CNC(=O)CCCNCCCCO 2230a_100000740002_100000210776 [1,0,0,0,0,0|3,0,0]=4 1797 B12R0.248 CNC(=O)CCCNCCCCO 2230a_100000750430_100000741757 [1,0,0,0,0,0|3,0,0]=4 1798 B12R0.248 CNC(=O)CCCNCCCCO 34a_100000740002_100011216708 [1,0,0,0,0,0|3,0,0]=4 1799 B12R0.248 CNC(=O)CCCNCCCCO 34a_100000750430_100000741757 [1,0,0,0,0,0|3,0,0]=4 1800 B12R0.248 CNC(=O)CCCOCCCCBr 34a_100011216708_100000741757 [1,0,0,0,0,0|3,0,0]=4 1801 B12R0.248 CNC(=O)CCCOCCCCCl 34a_100000210776_100000741757 [1,0,0,0,0,0|3,0,0]=4 1802 B12R0.248 CNC(=O)CCCOCCCCCl 7a_100000210776_100000741757 [1,0,0,0,0,0|3,0,0]=4 1803 B12R0.248 CNC(=O)CCCOCCCCF 34a_100011995726_100000741757 [1,0,0,0,0,0|3,0,0]=4 1804 B12R0.248 CNC(=O)CCCOCCCCF 7a_100011995726_100000741757 [1,0,0,0,0,0|3,0,0]=4 1805 B12R0.248 CNC(=O)CCCOCCCCI 34a_200012148704_100000741757 [1,0,0,0,0,0|3,0,0]=4 1806 B12R0.248 CNC(=O)CCCOCCCCN 34a_100000750430_100000741757 [1,0,0,0,0,0|3,0,0]=4 1807 B12R0.248 CNC(=O)CCCSCCCC=O 62a_100000741757_200011292268 [1,0,0,0,0,0|3,0,0]=4 1808 B12R0.248 CNC(=O)CCCSCCCC=O 62a_200011292268_100000741757 [1,0,0,0,0,0|3,0,0]=4 1809 B12R0.248 CNC(=O)CCCSCCCCF 62a_100000729493_100000741757 [1,0,0,0,0,0|3,0,0]=4 1810 B12R0.248 CNC(=O)CCCSCCCCF 62a_100000741757_100000729493 [1,0,0,0,0,0|3,0,0]=4 1811 B12R0.248 CNC(=O)CCCSCCCCO 62a_100000210776_100000741757 [1,0,0,0,0,0|3,0,0]=4 1812 B12R0.248 CNC(=O)CCCSCCCCO 62a_100000741757_100000210776 [1,0,0,0,0,0|3,0,0]=4 1813 B12R0.248 CNC(=O)CCNCCCCC=O 2230a_100000738227_100000139335 [1,0,0,0,0,0|3,0,0]=4 1814 B12R0.248 CNC(=O)CCNCCCCCF 2230a_100000738227_100000729378 [1,0,0,0,0,0|3,0,0]=4 1815 B12R0.248 CNC(=O)CCNCCCCCF 34a_100000738227_100000729378 [1,0,0,0,0,0|3,0,0]=4 1816 B12R0.248 CNC(=O)CCNCCCCCO 2230a_100000738227_100000746330 [1,0,0,0,0,0|3,0,0]=4 1817 B12R0.248 CNC(=O)CCNCCCCCO 2230a_100000762737_100000737683 [1,0,0,0,0,0|3,0,0]=4 1818 B12R0.248 CNC(=O)CCNCCCCCO 34a_100000738227_100000746330 [1,0,0,0,0,0|3,0,0]=4 1819 B12R0.248 CNC(=O)CCNCCCCCO 34a_100000762737_100012179268 [1,0,0,0,0,0|3,0,0]=4 1820 B12R0.248 CNC(=O)CCOCCCCCBr 34a_100000746331_100012179268 [1,0,0,0,0,0|3,0,0]=4 1821 B12R0.248 CNC(=O)CCOCCCCCBr 7a_100000746331_100000737683 [1,0,0,0,0,0|3,0,0]=4 1822 B12R0.248 CNC(=O)CCOCCCCCCl 34a_100000746330_100012179268 [1,0,0,0,0,0|3,0,0]=4 1823 B12R0.248 CNC(=O)CCOCCCCCCl 7a_100000746330_100000737683 [1,0,0,0,0,0|3,0,0]=4 1824 B12R0.248 CNC(=O)CCOCCCCCF 34a_100000754576_100000729378 [1,0,0,0,0,0|3,0,0]=4 1825 B12R0.248 CNC(=O)CCOCCCCCI 34a_200012148887_100012179268 [1,0,0,0,0,0|3,0,0]=4 1826 B12R0.248 CNC(=O)CCOCCCCCI 7a_200012148887_100000737683 [1,0,0,0,0,0|3,0,0]=4 1827 B12R0.248 CNC(=O)CCOCCCCCN 34a_100000762737_100012179268 [1,0,0,0,0,0|3,0,0]=4 1828 B12R0.248 CNC(=O)CCOCCCCCO 34a_100000754576_100000746330 [1,0,0,0,0,0|3,0,0]=4 1829 B12R0.248 CNC(=O)CCSCCCCC=O 62a_100000139335_100000737683 [1,0,0,0,0,0|3,0,0]=4 1830 B12R0.248 CNC(=O)CCSCCCCC=O 62a_100000737683_100000139335 [1,0,0,0,0,0|3,0,0]=4 1831 B12R0.248 CNC(=O)CCSCCCCCF 62a_100000729378_100000737683 [1,0,0,0,0,0|3,0,0]=4 1832 B12R0.248 CNC(=O)CCSCCCCCF 62a_100000737683_100000729378 [1,0,0,0,0,0|3,0,0]=4 1833 B12R0.248 CNC(=O)CCSCCCCCO 62a_100000737683_100000746330 [1,0,0,0,0,0|3,0,0]=4 1834 B12R0.248 CNC(=O)CCSCCCCCO 62a_100000746330_100000737683 [1,0,0,0,0,0|3,0,0]=4 1835 B12R0.248 CNC(=O)CNCCCCCC=O 2230a_100000693194_100000139337 [1,0,0,0,0,0|3,0,0]=4 1836 B12R0.248 CNC(=O)CNCCCCCCF 2230a_100000693194_100015922095 [1,0,0,0,0,0|3,0,0]=4 1837 B12R0.248 CNC(=O)CNCCCCCCO 2230a_100000686447_100000183359 [1,0,0,0,0,0|3,0,0]=4 1838 B12R0.248 CNC(=O)CNCCCCCCO 2230a_100000693194_100000766143 [1,0,0,0,0,0|3,0,0]=4 1839 B12R0.248 CNC(=O)CNCCCCCCO 34a_100000686447_100000183359 [1,0,0,0,0,0|3,0,0]=4 1840 B12R0.248 CNC(=O)COCCCCCCBr 34a_100011215345_100000183359 [1,0,0,0,0,0|3,0,0]=4 1841 B12R0.248 CNC(=O)COCCCCCCBr 7a_100011215345_100000183359 [1,0,0,0,0,0|3,0,0]=4 1842 B12R0.248 CNC(=O)COCCCCCCCl 34a_100000766143_100000183359 [1,0,0,0,0,0|3,0,0]=4 1843 B12R0.248 CNC(=O)COCCCCCCCl 7a_100000766143_100000183359 [1,0,0,0,0,0|3,0,0]=4 1844 B12R0.248 CNC(=O)COCCCCCCF 34a_100000732779_100000183359 [1,0,0,0,0,0|3,0,0]=4 1845 B12R0.248 CNC(=O)COCCCCCCF 34a_100000750040_100015922095 [1,0,0,0,0,0|3,0,0]=4 1846 B12R0.248 CNC(=O)COCCCCCCF 7a_100000732779_100000183359 [1,0,0,0,0,0|3,0,0]=4 1847 B12R0.248 CNC(=O)COCCCCCCN 34a_100000686447_100000183359 [1,0,0,0,0,0|3,0,0]=4 1848 B12R0.248 CNC(=O)COCCCCCCO 34a_100000750040_100000766143 [1,0,0,0,0,0|3,0,0]=4 1849 B12R0.248 CNC(=O)CSCCCCCC=O 62a_100000139337_100000183359 [1,0,0,0,0,0|3,0,0]=4 1850 B12R0.248 CNC(=O)CSCCCCCC=O 62a_100000183359_100000139337 [1,0,0,0,0,0|3,0,0]=4 1851 B12R0.248 CNC(=O)CSCCCCCCF 62a_100000183359_100015922095 [1,0,0,0,0,0|3,0,0]=4 1852 B12R0.248 CNC(=O)CSCCCCCCF 62a_100015922095_100000183359 [1,0,0,0,0,0|3,0,0]=4 1853 B12R0.248 CNC(=O)CSCCCCCCO 62a_100000183359_100000766143 [1,0,0,0,0,0|3,0,0]=4 1854 B12R0.248 CNC(=O)CSCCCCCCO 62a_100000766143_100000183359 [1,0,0,0,0,0|3,0,0]=4 1855 B12R0.248 CNC(=O)NCCCCCCCO 2708a_100011996573_106832991635 [1,0,0,0,0,0|3,0,0]=4 1856 B12R0.248 CNC(=O)NCCCCCCCO 2708a_100102657272_100011996573 [1,0,0,0,0,0|3,0,0]=4 1857 B12R0.248 CNC(=O)NCCCCCCCO 273464a_100011996573_100102657272 [1,0,0,0,0,0|3,0,0]=4 1858 B12R0.248 CNC(=O)NCCCCCCCO 273464a_100102657272_100011996573 [1,0,0,0,0,0|3,0,0]=4 1859 B12R0.248 CNC(=O)NCCCCCCCO 512a_100011996573_100102657272 [1,0,0,0,0,0|3,0,0]=4 1860 B12R0.248 CNC(=O)NCCCCCCCO 512a_106832991638_100011996573 [1,0,0,0,0,0|3,0,0]=4 1861 B12R0.248 CNCCCCCCCC(=O)OC 2230a_106832991635_100010004213 [1,0,0,0,0,0|1,0,1]=3 1862 B12R0.248 CNCCCCCCCC(=O)OC 34a_100102657272_100010004213 [1,0,0,0,0,0|1,0,1]=3 1863 B12R0.248 CNCCCCCCCC(=O)OC 7a_106832991635_100010004213 [1,0,0,0,0,0|1,0,1]=3 1864 B12R0.248 CNCCCCCOCC(=O)OC 34a_100000722520_100000747449 [1,0,0,0,0,0|2,0,1]=4 1865 B12R0.248 CNCCCOCCCC(=O)OC 34a_100000213112_100000742333 [1,0,0,0,0,0|2,0,1]=4 1866 B12R0.248 COC(=O)CCCCCCCO[13CH3] 34a_100011022521_200025704644 [1,0,0,0,0,0|1,0,1]=3 1867 B12R0.248 COC(=O)CCCCCCCO[13CH3] 7a_100011022521_200025704644 [1,0,0,0,0,0|1,0,1]=3 1868 B12R0.248 COC(=O)CCCCCCCSC 62a_100010004213_200000210301 [1,0,0,0,0,0|1,0,1]=3 1869 B12R0.248 COC(=O)CCCCCCCSC 62a_200000210301_100010004213 [1,0,0,0,0,0|1,0,1]=3 1870 B12R0.248 COC(=O)CCCCCCCS[13CH3] 62a_100010004213_200025704644 [1,0,0,0,0,0|1,0,1]=3 1871 B12R0.248 COC(=O)CCCCCCCS[13CH3] 62a_200025704644_100010004213 [1,0,0,0,0,0|1,0,1]=3 1872 B12R0.248 COC(=O)CCCCCCOCF 34a_100009863599_100015361967 [1,0,0,0,0,0|2,0,0]=3 1873 B12R0.248 COC(=O)CCCCCCOCF 7a_100009863599_100015361967 [1,0,0,0,0,0|2,0,0]=3 1874 B12R0.248 COC(=O)CCCCCCSCF 62a_100009815986_100015361967 [1,0,0,0,0,0|2,0,0]=3 1875 B12R0.248 COC(=O)CCCCCCSCF 62a_100015361967_100009815986 [1,0,0,0,0,0|2,0,0]=3 1876 B12R0.248 COC(=O)CCCCCNCCF 34a_100000724931_100009816466 [1,0,0,0,0,0|2,0,0]=3 1877 B12R0.248 COC(=O)CCCCCNCCO 2230a_100016997473_100009816466 [1,0,0,0,0,0|2,0,0]=3 1878 B12R0.248 COC(=O)CCCCCNCCO 34a_100016990907_100009816466 [1,0,0,0,0,0|2,0,0]=3 1879 B12R0.248 COC(=O)CCCCCOCC#N 7a_100000074720_100011215382 [1,0,0,0,0,0|2,0,1]=4 1880 B12R0.248 COC(=O)CCCCCOCC=O 34a_100000074720_200009817547 [1,0,0,0,0,0|2,0,0]=3 1881 B12R0.248 COC(=O)CCCCCOCC=O 7a_100000074720_200015260668 [1,0,0,0,0,0|2,0,0]=3 1882 B12R0.248 COC(=O)CCCCCOCCBr 34a_100000211926_100009816466 [1,0,0,0,0,0|2,0,0]=3 1883 B12R0.248 COC(=O)CCCCCOCCF 34a_100000074720_100011217306 [1,0,0,0,0,0|2,0,0]=3 1884 B12R0.248 COC(=O)CCCCCOCCF 7a_100000074720_100011217306 [1,0,0,0,0,0|2,0,0]=3 1885 B12R0.248 COC(=O)CCCCCOCCN 34a_100000210304_100009816466 [1,0,0,0,0,0|2,0,0]=3 1886 B12R0.248 COC(=O)CCCCCOCCO 34a_100000074720_100000211926 [1,0,0,0,0,0|2,0,0]=3 1887 B12R0.248 COC(=O)CCCCCOCCO 7a_100000074720_100000211926 [1,0,0,0,0,0|2,0,0]=3 1888 B12R0.248 COC(=O)CCCCCOCSC 34a_100000074720_100011218213 [1,0,0,0,0,0|2,0,1]=4 1889 B12R0.248 COC(=O)CCCCCSCC#N 62a_100009816466_100011215382 [1,0,0,0,0,0|2,0,1]=4 1890 B12R0.248 COC(=O)CCCCCSCC#N 62a_100011215382_100009816466 [1,0,0,0,0,0|2,0,1]=4 1891 B12R0.248 COC(=O)CCCCCSCC=O 62a_100009816466_200015260668 [1,0,0,0,0,0|2,0,0]=3 1892 B12R0.248 COC(=O)CCCCCSCC=O 62a_200015260668_100009816466 [1,0,0,0,0,0|2,0,0]=3 1893 B12R0.248 COC(=O)CCCCCSCCF 62a_100009816466_100011217306 [1,0,0,0,0,0|2,0,0]=3 1894 B12R0.248 COC(=O)CCCCCSCCF 62a_100011217306_100009816466 [1,0,0,0,0,0|2,0,0]=3 1895 B12R0.248 COC(=O)CCCCCSCCO 62a_100000211926_100009816466 [1,0,0,0,0,0|2,0,0]=3 1896 B12R0.248 COC(=O)CCCCCSCCO 62a_100009816466_100000211926 [1,0,0,0,0,0|2,0,0]=3 1897 B12R0.248 COC(=O)CCCCCSCSC 62a_100009816466_100011218213 [1,0,0,0,0,0|2,0,1]=4 1898 B12R0.248 COC(=O)CCCCCSCSC 62a_100011218213_100009816466 [1,0,0,0,0,0|2,0,1]=4 1899 B12R0.248 COC(=O)CCCCNCCCF 2230a_100015189416_100000204269 [1,0,0,0,0,0|2,0,0]=3 1900 B12R0.248 COC(=O)CCCCNCCCF 34a_100015189416_100000204269 [1,0,0,0,0,0|2,0,0]=3 1901 B12R0.248 COC(=O)CCCCNCCSC 2230a_100020590264_100000204269 [1,0,0,0,0,0|2,0,1]=4 1902 B12R0.248 COC(=O)CCCCOCCC#N 7a_100000059025_100000184422 [1,0,0,0,0,0|2,0,1]=4 1903 B12R0.248 COC(=O)CCCCOCCCBr 34a_100011217188_100000204269 [1,0,0,0,0,0|2,0,0]=3 1904 B12R0.248 COC(=O)CCCCOCCCCl 34a_100000230001_100000204269 [1,0,0,0,0,0|2,0,0]=3 1905 B12R0.248 COC(=O)CCCCOCCCF 34a_100000059025_100011934791 [1,0,0,0,0,0|2,0,0]=3 1906 B12R0.248 COC(=O)CCCCOCCCF 34a_100000759539_100000204269 [1,0,0,0,0,0|2,0,0]=3 1907 B12R0.248 COC(=O)CCCCOCCCF 7a_100000059025_100011934791 [1,0,0,0,0,0|2,0,0]=3 1908 B12R0.248 COC(=O)CCCCOCCCN 34a_100000182051_100000204269 [1,0,0,0,0,0|2,0,0]=3 1909 B12R0.248 COC(=O)CCCCOCCCO 34a_100000059025_100000230001 [1,0,0,0,0,0|2,0,0]=3 1910 B12R0.248 COC(=O)CCCCOCCCO 7a_100000059025_100011215043 [1,0,0,0,0,0|2,0,0]=3 1911 B12R0.248 COC(=O)CCCCOCCON 34a_100000700252_100000204269 [1,0,0,0,0,0|3,0,0]=4 1912 B12R0.248 COC(=O)CCCCOCCSC 34a_100000059025_100000212216 [1,0,0,0,0,0|2,0,1]=4 1913 B12R0.248 COC(=O)CCCCOCCSC 34a_100000230434_100000204269 [1,0,0,0,0,0|2,0,1]=4 1914 B12R0.248 COC(=O)CCCCOCCSC 7a_100000059025_100000212216 [1,0,0,0,0,0|2,0,1]=4 1915 B12R0.248 COC(=O)CCCCOCCSC 7a_100000230434_100000204269 [1,0,0,0,0,0|2,0,1]=4 1916 B12R0.248 COC(=O)CCCCSCCC#N 62a_100000204269_100011215226 [1,0,0,0,0,0|2,0,1]=4 1917 B12R0.248 COC(=O)CCCCSCCC#N 62a_100011215226_100000204269 [1,0,0,0,0,0|2,0,1]=4 1918 B12R0.248 COC(=O)CCCCSCCCF 62a_100000204269_100011934791 [1,0,0,0,0,0|2,0,0]=3 1919 B12R0.248 COC(=O)CCCCSCCCF 62a_100011934791_100000204269 [1,0,0,0,0,0|2,0,0]=3 1920 B12R0.248 COC(=O)CCCCSCCCO 62a_100000204269_100011215043 [1,0,0,0,0,0|2,0,0]=3 1921 B12R0.248 COC(=O)CCCCSCCCO 62a_100011215043_100000204269 [1,0,0,0,0,0|2,0,0]=3 1922 B12R0.248 COC(=O)CCCCSCCSC 62a_100000204269_100000751147 [1,0,0,0,0,0|2,0,1]=4 1923 B12R0.248 COC(=O)CCCCSCCSC 62a_100000212216_100000204269 [1,0,0,0,0,0|2,0,1]=4 1924 B12R0.248 COC(=O)CCCNCCCCO 2230a_100000750430_100011218270 [1,0,0,0,0,0|2,0,0]=3 1925 B12R0.248 COC(=O)CCCNCCCCO 34a_100000750430_100000742333 [1,0,0,0,0,0|2,0,0]=3 1926 B12R0.248 COC(=O)CCCNCCCSC 2230a_100000749238_100011218270 [1,0,0,0,0,0|2,0,1]=4 1927 B12R0.248 COC(=O)CCCOCCCCBr 34a_100011216708_100000742333 [1,0,0,0,0,0|2,0,0]=3 1928 B12R0.248 COC(=O)CCCOCCCCCl 34a_100000210776_100000742333 [1,0,0,0,0,0|2,0,0]=3 1929 B12R0.248 COC(=O)CCCOCCCCCl 7a_100000210776_100011218270 [1,0,0,0,0,0|2,0,0]=3 1930 B12R0.248 COC(=O)CCCOCCCCF 34a_100011995726_100000742333 [1,0,0,0,0,0|2,0,0]=3 1931 B12R0.248 COC(=O)CCCOCCCCF 7a_100011995726_100011218270 [1,0,0,0,0,0|2,0,0]=3 1932 B12R0.248 COC(=O)CCCOCCCCI 34a_200012148704_100000742333 [1,0,0,0,0,0|2,0,0]=3 1933 B12R0.248 COC(=O)CCCOCCCCN 34a_100000750430_100000742333 [1,0,0,0,0,0|2,0,0]=3 1934 B12R0.248 COC(=O)CCCOCCCSC 34a_100000690336_100000742333 [1,0,0,0,0,0|2,0,1]=4 1935 B12R0.248 COC(=O)CCCOCCCSC 7a_100000690336_100011218270 [1,0,0,0,0,0|2,0,1]=4 1936 B12R0.248 COC(=O)CCCSCCCC#N 62a_100000687738_100011218270 [1,0,0,0,0,0|2,0,1]=4 1937 B12R0.248 COC(=O)CCCSCCCC#N 62a_100011218270_100000687738 [1,0,0,0,0,0|2,0,1]=4 1938 B12R0.248 COC(=O)CCCSCCCC=O 62a_100011218270_200011292268 [1,0,0,0,0,0|2,0,0]=3 1939 B12R0.248 COC(=O)CCCSCCCC=O 62a_200011292268_100011218270 [1,0,0,0,0,0|2,0,0]=3 1940 B12R0.248 COC(=O)CCCSCCCCF 62a_100000729493_100011218270 [1,0,0,0,0,0|2,0,0]=3 1941 B12R0.248 COC(=O)CCCSCCCCF 62a_100011218270_100000729493 [1,0,0,0,0,0|2,0,0]=3 1942 B12R0.248 COC(=O)CCCSCCCCO 62a_100000210776_100011218270 [1,0,0,0,0,0|2,0,0]=3 1943 B12R0.248 COC(=O)CCCSCCCCO 62a_100011218270_100000210776 [1,0,0,0,0,0|2,0,0]=3 1944 B12R0.248 COC(=O)CCNCCCCCO 2230a_100000762737_100000204255 [1,0,0,0,0,0|2,0,0]=3 1945 B12R0.248 COC(=O)CCNCCCCCO 34a_100000762737_100000742370 [1,0,0,0,0,0|2,0,0]=3 1946 B12R0.248 COC(=O)CCNCCOCCO 2230a_100000211614_100000204255 [1,0,0,0,0,0|3,0,0]=4 1947 B12R0.248 COC(=O)CCNCCOCCO 34a_100000211614_100000742370 [1,0,0,0,0,0|3,0,0]=4 1948 B12R0.248 COC(=O)CCNCCSCCO 2230a_100011219999_100000204255 [1,0,0,0,0,0|3,0,0]=4 1949 B12R0.248 COC(=O)CCOCCCCCBr 34a_100000746331_100000742370 [1,0,0,0,0,0|2,0,0]=3 1950 B12R0.248 COC(=O)CCOCCCCCBr 7a_100000746331_100000204255 [1,0,0,0,0,0|2,0,0]=3 1951 B12R0.248 COC(=O)CCOCCCCCCl 34a_100000746330_100000742370 [1,0,0,0,0,0|2,0,0]=3 1952 B12R0.248 COC(=O)CCOCCCCCCl 7a_100000746330_100000204255 [1,0,0,0,0,0|2,0,0]=3 1953 B12R0.248 COC(=O)CCOCCCCCI 34a_200012148887_100000742370 [1,0,0,0,0,0|2,0,0]=3 1954 B12R0.248 COC(=O)CCOCCCCCI 7a_200012148887_100000204255 [1,0,0,0,0,0|2,0,0]=3 1955 B12R0.248 COC(=O)CCOCCCCCN 34a_100000762737_100000742370 [1,0,0,0,0,0|2,0,0]=3 1956 B12R0.248 COC(=O)CCOCCCCSC 34a_100011217163_100000742370 [1,0,0,0,0,0|2,0,1]=4 1957 B12R0.248 COC(=O)CCOCCCCSC 7a_100011217163_100000204255 [1,0,0,0,0,0|2,0,1]=4 1958 B12R0.248 COC(=O)CCOCCOCCBr 34a_100000692535_100000742370 [1,0,0,0,0,0|3,0,0]=4 1959 B12R0.248 COC(=O)CCOCCOCCBr 7a_100000692535_100000204255 [1,0,0,0,0,0|3,0,0]=4 1960 B12R0.248 COC(=O)CCOCCOCCCl 34a_100011215305_100000742370 [1,0,0,0,0,0|3,0,0]=4 1961 B12R0.248 COC(=O)CCOCCOCCCl 7a_100011215305_100000204255 [1,0,0,0,0,0|3,0,0]=4 1962 B12R0.248 COC(=O)CCOCCOCCF 34a_200015357709_100000742370 [1,0,0,0,0,0|3,0,0]=4 1963 B12R0.248 COC(=O)CCOCCOCCF 7a_200015357709_100000204255 [1,0,0,0,0,0|3,0,0]=4 1964 B12R0.248 COC(=O)CCOCCOCCI 34a_100012149058_100000742370 [1,0,0,0,0,0|3,0,0]=4 1965 B12R0.248 COC(=O)CCOCCOCCI 7a_100012149058_100000204255 [1,0,0,0,0,0|3,0,0]=4 1966 B12R0.248 COC(=O)CCOCCOCCN 34a_100000211614_100000742370 [1,0,0,0,0,0|3,0,0]=4 1967 B12R0.248 COC(=O)CCSCCCCC#N 62a_100000204255_100000211819 [1,0,0,0,0,0|2,0,1]=4 1968 B12R0.248 COC(=O)CCSCCCCC#N 62a_100011219923_100000204255 [1,0,0,0,0,0|2,0,1]=4 1969 B12R0.248 COC(=O)CCSCCCCC=O 62a_100000139335_100000204255 [1,0,0,0,0,0|2,0,0]=3 1970 B12R0.248 COC(=O)CCSCCCCC=O 62a_100000204255_100000139335 [1,0,0,0,0,0|2,0,0]=3 1971 B12R0.248 COC(=O)CCSCCCCCF 62a_100000204255_100000729378 [1,0,0,0,0,0|2,0,0]=3 1972 B12R0.248 COC(=O)CCSCCCCCF 62a_100000729378_100000204255 [1,0,0,0,0,0|2,0,0]=3 1973 B12R0.248 COC(=O)CCSCCCCCO 62a_100000204255_100000746330 [1,0,0,0,0,0|2,0,0]=3 1974 B12R0.248 COC(=O)CCSCCCCCO 62a_100000746330_100000204255 [1,0,0,0,0,0|2,0,0]=3 1975 B12R0.248 COC(=O)CCSCCOCCO 62a_100000204255_100011215305 [1,0,0,0,0,0|3,0,0]=4 1976 B12R0.248 COC(=O)CCSCCOCCO 62a_100011215305_100000204255 [1,0,0,0,0,0|3,0,0]=4 1977 B12R0.248 COC(=O)CNCCCCCCO 2230a_100000686447_100000747449 [1,0,0,0,0,0|2,0,0]=3 1978 B12R0.248 COC(=O)CNCCCCCCO 34a_100000686447_100000747449 [1,0,0,0,0,0|2,0,0]=3 1979 B12R0.248 COC(=O)COCCCCCCBr 34a_100011215345_100000747449 [1,0,0,0,0,0|2,0,0]=3 1980 B12R0.248 COC(=O)COCCCCCCBr 7a_100011215345_100000747449 [1,0,0,0,0,0|2,0,0]=3 1981 B12R0.248 COC(=O)COCCCCCCCl 34a_100000766143_100000747449 [1,0,0,0,0,0|2,0,0]=3 1982 B12R0.248 COC(=O)COCCCCCCCl 7a_100000766143_100000747449 [1,0,0,0,0,0|2,0,0]=3 1983 B12R0.248 COC(=O)COCCCCCCF 34a_100000732779_100000747449 [1,0,0,0,0,0|2,0,0]=3 1984 B12R0.248 COC(=O)COCCCCCCF 7a_100000732779_100000747449 [1,0,0,0,0,0|2,0,0]=3 1985 B12R0.248 COC(=O)COCCCCCCN 34a_100000686447_100000747449 [1,0,0,0,0,0|2,0,0]=3 1986 B12R0.248 COC(=O)COCCNCCCF 2230a_100015189416_100000090808 [1,0,0,0,0,0|3,0,0]=4 1987 B12R0.248 COC(=O)COCCNCCCF 34a_100015189416_100000090808 [1,0,0,0,0,0|3,0,0]=4 1988 B12R0.248 COC(=O)COCCOCCCBr 34a_100011217188_100000090808 [1,0,0,0,0,0|3,0,0]=4 1989 B12R0.248 COC(=O)COCCOCCCCl 34a_100000230001_100000090808 [1,0,0,0,0,0|3,0,0]=4 1990 B12R0.248 COC(=O)COCCOCCCF 34a_100000759539_100000090808 [1,0,0,0,0,0|3,0,0]=4 1991 B12R0.248 COC(=O)COCCOCCCN 34a_100000182051_100000090808 [1,0,0,0,0,0|3,0,0]=4 1992 B12R0.248 COC(=O)COCCSCCCF 62a_100000090808_100011934791 [1,0,0,0,0,0|3,0,0]=4 1993 B12R0.248 COC(=O)COCCSCCCF 62a_100011934791_100000090808 [1,0,0,0,0,0|3,0,0]=4 1994 B12R0.248 COC(=O)COCCSCCCO 62a_100000090808_100011215043 [1,0,0,0,0,0|3,0,0]=4 1995 B12R0.248 COC(=O)COCCSCCCO 62a_100011215043_100000090808 [1,0,0,0,0,0|3,0,0]=4 1996 B12R0.248 COC(=O)CSCCCCCC#N 62a_100000747449_100009813376 [1,0,0,0,0,0|2,0,1]=4 1997 B12R0.248 COC(=O)CSCCCCCC#N 62a_100009813376_100000747449 [1,0,0,0,0,0|2,0,1]=4 1998 B12R0.248 COC(=O)CSCCCCCC=O 62a_100000139337_100000747449 [1,0,0,0,0,0|2,0,0]=3 1999 B12R0.248 COC(=O)CSCCCCCC=O 62a_100000747449_100000139337 [1,0,0,0,0,0|2,0,0]=3 2000 B12R0.248 COC(=O)CSCCCCCCF 62a_100000747449_100015922095 [1,0,0,0,0,0|2,0,0]=3 2001 B12R0.248 COC(=O)CSCCCCCCF 62a_100015922095_100000747449 [1,0,0,0,0,0|2,0,0]=3 2002 B12R0.248 COC(=O)CSCCCCCCO 62a_100000747449_100000766143 [1,0,0,0,0,0|2,0,0]=3 2003 B12R0.248 COC(=O)CSCCCCCCO 62a_100000766143_100000747449 [1,0,0,0,0,0|2,0,0]=3 2004 B12R0.248 COC(=O)NCCOCCCCF 34a_100000757965_100000729493 [1,0,0,0,0,0|3,0,0]=4 2005 B12R0.248 COC(=O)NCCOCCCCO 34a_100000757965_100011216708 [1,0,0,0,0,0|3,0,0]=4 2006 B12R0.248 COC(=O)OCCOCCCCF 34a_100010262106_100000729493 [1,0,0,0,0,0|3,0,0]=4 2007 B12R0.248 COC(=O)OCCOCCCCO 34a_100010262106_100011216708 [1,0,0,0,0,0|3,0,0]=4 2008 B12R0.248 COC(=O)OCSCCCCC=O 62a_100000139335_100000139417 [1,0,0,0,0,0|3,0,0]=4 2009 B12R0.248 COC(=O)OCSCCCCCF 62a_100000729378_100000139417 [1,0,0,0,0,0|3,0,0]=4 2010 B12R0.248 COC(=O)OCSCCCCCO 62a_100000746330_100000139417 [1,0,0,0,0,0|3,0,0]=4 2011 B12R0.248 COCCCCCCCC(=O)OC 34a_100011022521_200000210301 [1,0,0,0,0,0|1,0,1]=3 2012 B12R0.248 COCCCCCCCC(=O)OC 34a_100138415774_100010004213 [1,0,0,0,0,0|1,0,1]=3 2013 B12R0.248 COCCCCCCCC(=O)OC 7a_100011022521_200000210301 [1,0,0,0,0,0|1,0,1]=3 2014 B12R0.248 COCCCCCNCC(=O)OC 2230a_100000747528_100000747449 [1,0,0,0,0,0|2,0,1]=4 2015 B12R0.248 COCCCCCNCC(=O)OC 34a_100000747528_100000747449 [1,0,0,0,0,0|2,0,1]=4 2016 B12R0.248 COCCCCOCCC(=O)OC 34a_100000740925_100000742370 [1,0,0,0,0,0|2,0,1]=4 2017 B12R0.248 COCCCCSCCC(=O)OC 62a_100000204255_100000730899 [1,0,0,0,0,0|2,0,1]=4 2018 B12R0.248 COCCCCSCCC(=O)OC 62a_100000730899_100000204255 [1,0,0,0,0,0|2,0,1]=4 2019 B12R0.248 COCCCNCCCC(=O)OC 34a_100150723488_100000742333 [1,0,0,0,0,0|2,0,1]=4 2020 B12R0.248 COCCCOCCCC(=O)OC 34a_100000740835_100000742333 [1,0,0,0,0,0|2,0,1]=4 2021 B12R0.248 COCCCSCCCC(=O)OC 62a_100000709357_100011218270 [1,0,0,0,0,0|2,0,1]=4 2022 B12R0.248 COCCCSCCCC(=O)OC 62a_100011218270_100000709357 [1,0,0,0,0,0|2,0,1]=4 2023 B12R0.248 COCCNCCCCC(=O)OC 2230a_100000209980_100000204269 [1,0,0,0,0,0|2,0,1]=4 2024 B12R0.248 COCCOCCCCC(=O)OC 34a_100000059025_100011201679 [1,0,0,0,0,0|2,0,1]=4 2025 B12R0.248 COCCOCCCCC(=O)OC 34a_100000210237_100000204269 [1,0,0,0,0,0|2,0,1]=4 2026 B12R0.248 COCCOCCCCC(=O)OC 7a_100000059025_100000233755 [1,0,0,0,0,0|2,0,1]=4 2027 B12R0.248 COCCSCCCCC(=O)OC 62a_100000204269_100000233755 [1,0,0,0,0,0|2,0,1]=4 2028 B12R0.248 COCCSCCCCC(=O)OC 62a_100000233755_100000204269 [1,0,0,0,0,0|2,0,1]=4 2029 B12R0.248 COCSCCCCCC(=O)OC 62a_100000766300_100009816466 [1,0,0,0,0,0|2,0,1]=4 2030 B12R0.248 COCSCCCCCC(=O)OC 62a_100009816466_100000766300 [1,0,0,0,0,0|2,0,1]=4 2031 B12R0.248 O=C(CO)CCCCCCCCO 1458a_100000210174_100000033203 [1,0,0,0,0,0|3,0,0]=4 2032 B14R0.12 C#CCCCCC(=O)CCCC(=O)OC 1458a_100000239890_100010269958 [0,1,0,0,0,0|0,0,3]=4 2033 B14R0.12 C#CCCCCC(=O)CCCC(=O)OC 1458a_100000696528_100011218270 [0,1,0,0,0,0|0,0,3]=4 2034 B14R0.12 C#CCCCCN(C)CCCC(=O)OC 269982a_100000739225_100010269958 [0,1,0,0,0,0|1,0,2]=4 2035 B14R0.12 C=CCCCCC(=O)CCCC(=O)NC 1458a_100011215552_100000741757 [0,1,0,0,0,0|1,0,1]=3 2036 B14R0.12 C=CCCCCC(=O)CCCC(=O)OC 1458a_100000239890_100011215482 [0,1,0,0,0,0|0,0,1]=2 2037 B14R0.12 C=CCCCCC(=O)CCCC(=O)OC 1458a_100011215552_100011218270 [0,1,0,0,0,0|0,0,1]=2 2038 B14R0.12 C=CCCCCC(=O)CCOC(=O)NC 1458a_100011215552_200011997002 [0,1,0,0,0,0|2,0,1]=4 2039 B14R0.12 C=CCCCCC(=O)CSCC(=O)OC 1458a_100000191316_100011215482 [0,1,0,0,0,0|1,0,1]=3 2040 B14R0.12 C=CCCCCC(=O)NCCC(=O)NC 11a_100000738227_100011215552 [0,1,0,0,0,0|2,0,1]=4 2041 B14R0.12 C=CCCCCC(=O)NCCC(=O)NC 240690a_100000738227_100011215552 [0,1,0,0,0,0|2,0,1]=4 2042 B14R0.12 C=CCCCCC(=O)NCCC(=O)NC 527a_100000738227_100011215552 [0,1,0,0,0,0|2,0,1]=4 2043 B14R0.12 C=CCCCCC(=O)NCCC(=O)OC 188690a_100000683876_100011215552 [0,1,0,0,0,0|1,0,1]=3 2044 B14R0.12 C=CCCCCN(C)C/C=C/C(=O)OC 2230a_100012000471_100000742655 [0,1,0,0,0,0|1,0,2]=4 2045 B14R0.12 C=CCCCCN(C)C/C=C/C(=O)OC 269982a_100012000471_100000742655 [0,1,0,0,0,0|1,0,2]=4 2046 B14R0.12 C=CCCCCN(C)CCCC(=O)NC 2230a_100012000471_100000741757 [0,1,0,0,0,0|2,0,0]=3 2047 B14R0.12 C=CCCCCN(C)CCCC(=O)NC 269982a_100012000471_100000741757 [0,1,0,0,0,0|2,0,0]=3 2048 B14R0.12 C=CCCCCN(C)CCCC(=O)OC 2230a_100012000471_100011218270 [0,1,0,0,0,0|1,0,0]=2 2049 B14R0.12 C=CCCCCN(C)CCCC(=O)OC 269982a_100000739225_100011215482 [0,1,0,0,0,0|1,0,0]=2 2050 B14R0.12 C=CCCCCN(C)CCCC(=O)OC 269982a_100012000471_100011218270 [0,1,0,0,0,0|1,0,0]=2 2051 B14R0.12 C=CCCCCN(C)CCOC(=O)NC 269982a_100012000471_200011997002 [0,1,0,0,0,0|3,0,0]=4 2052 B14R0.12 C=CCCCNC(=O)CCCC(=O)OC 11a_100000700776_100000239890 [0,1,0,0,0,0|1,0,1]=3 2053 B14R0.12 C=CCCCNC(=O)CCCC(=O)OC 1626a_100000700776_100000239890 [0,1,0,0,0,0|1,0,1]=3 2054 B14R0.12 C=CCCCNC(=O)CCCC(=O)OC 240690a_100000700776_100000239890 [0,1,0,0,0,0|1,0,1]=3 2055 B14R0.12 C=CCCCNC(=O)CCCC(=O)OC 527a_100000700776_100000239890 [0,1,0,0,0,0|1,0,1]=3 2056 B14R0.12 C=CCCCNC(=O)CSCC(=O)OC 11a_100000700776_100000191316 [0,1,0,0,0,0|2,0,1]=4 2057 B14R0.12 C=CCCCNC(=O)CSCC(=O)OC 1626a_100000700776_100000191316 [0,1,0,0,0,0|2,0,1]=4 2058 B14R0.12 C=CCCCNC(=O)CSCC(=O)OC 240690a_100000700776_100000191316 [0,1,0,0,0,0|2,0,1]=4 2059 B14R0.12 C=CCCNCC(=O)NCCC(=O)OC 2230a_100015191253_100000230212 [0,1,0,0,0,0|2,0,1]=4 2060 B14R0.12 C=CCCOCC(=O)NCCC(=O)OC 34a_100011205117_100000230212 [0,1,0,0,0,0|2,0,1]=4 2061 B14R0.12 C=CCCSCC(=O)NCCC(=O)OC 62a_100000230212_100000754431 [0,1,0,0,0,0|2,0,1]=4 2062 B14R0.12 C=CCCSCC(=O)NCCC(=O)OC 62a_100000754431_100000230212 [0,1,0,0,0,0|2,0,1]=4 2063 B14R0.12 C=CCOCCC(=O)CCCC(=O)NC 1458a_200011217002_100000741757 [0,1,0,0,0,0|2,0,1]=4 2064 B14R0.12 C=CCOCCC(=O)CCCC(=O)OC 1458a_200011217002_100011218270 [0,1,0,0,0,0|1,0,1]=3 2065 B14R0.12 C=CCOCCC(=O)NCCC(=O)OC 188690a_100000683876_200011217002 [0,1,0,0,0,0|2,0,1]=4 2066 B14R0.12 CCCCCCC(=O)CCCC(=O)OC 1458a_100000239890_100000210757 [0,1,0,0,0,0|0,0,3]=4 2067 B14R0.12 CCCCCCC(=O)CCCC(=O)OC 1458a_100102632555_100011218270 [0,1,0,0,0,0|0,0,3]=4 2068 B14R0.12 CCCCCCC(C)NCCC(=O)OC 2230a_100000210919_100000204255 [0,1,0,0,0,0|1,0,2]=4 2069 B14R0.12 CCCCCCC(C)NCCC(=O)OC 34a_100000210919_100000742370 [0,1,0,0,0,0|1,0,2]=4 2070 B14R0.12 CCCCCCC(C)OCCC(=O)OC 34a_100000210265_100000742370 [0,1,0,0,0,0|1,0,2]=4 2071 B14R0.12 CCCCCCC(C)OCCC(=O)OC 7a_100000210265_100000204255 [0,1,0,0,0,0|1,0,2]=4 2072 B14R0.12 CCCCCCC(C)SCCC(=O)OC 62a_100000204255_100011215978 [0,1,0,0,0,0|1,0,2]=4 2073 B14R0.12 CCCCCCC(C)SCCC(=O)OC 62a_100011215978_100000204255 [0,1,0,0,0,0|1,0,2]=4 2074 B14R0.12 CCCCCCN(C)CCCC(=O)OC 2230a_106256046315_100011218270 [0,1,0,0,0,0|1,0,2]=4 2075 B14R0.12 CCCCCCN(C)CCCC(=O)OC 269982a_100000739225_100000210757 [0,1,0,0,0,0|1,0,2]=4 2076 B14R0.12 CCCCCCN(C)CCCC(=O)OC 269982a_106256046315_100011218270 [0,1,0,0,0,0|1,0,2]=4 2077 B14R0.12 COC(=O)CCCC(=O)CCCCC#N 1458a_100000239890_100000211819 [0,1,0,0,0,0|1,0,2]=4 2078 B14R0.12 COC(=O)CCCC(=O)CCCCCF 1458a_100000239890_100000729378 [0,1,0,0,0,0|1,0,2]=4 2079 B14R0.12 COC(=O)CCCC(=O)CCCCCO 1458a_100000239890_100000746330 [0,1,0,0,0,0|1,0,2]=4 2080 B14R0.12 COC(=O)CCCC(=O)CCCCCO 1458a_100102619762_100011218270 [0,1,0,0,0,0|1,0,2]=4 2081 B14R0.12 COC(=O)CCCN(C)CCCCC#N 269982a_100000739225_100011219923 [0,1,0,0,0,0|2,0,1]=4 2082 B14R0.12 COC(=O)CCCN(C)CCCCC=O 269982a_100000739225_100000139335 [0,1,0,0,0,0|2,0,0]=3 2083 B14R0.12 COC(=O)CCCN(C)CCCCCF 269982a_100000739225_100000729378 [0,1,0,0,0,0|2,0,1]=4 2084 B14R0.12 COC(=O)CCCN(C)CCCCCO 2230a_100000722520_100011218270 [0,1,0,0,0,0|2,0,1]=4 2085 B14R0.12 COC(=O)CCCN(C)CCCCCO 269982a_100000722520_100011218270 [0,1,0,0,0,0|2,0,1]=4 2086 B14R0.12 COC(=O)CCCN(C)CCCCCO 269982a_100000739225_100000746330 [0,1,0,0,0,0|2,0,1]=4 2087 B14R0.12 COCCCCC(=O)CCCC(=O)OC 1458a_100000239890_100000755781 [0,1,0,0,0,0|1,0,2]=4 2088 B14R0.12 COCCCCN(C)CCCC(=O)OC 269982a_100000739225_100000730899 [0,1,0,0,0,0|2,0,1]=4 2089 B14R0.32 C#CCC(=O)CCCCCCC(=O)OC 1458a_100000036694_100000184674 [0,1,0,0,0,0|0,0,3]=4 2090 B14R0.32 C#CCC(=O)CCCCCCC(=O)OC 1458a_100011220946_100009815986 [0,1,0,0,0,0|0,0,3]=4 2091 B14R0.32 C#CCC(C)OCCCCCC(=O)OC 34a_100000685586_100009816466 [0,1,0,0,0,0|1,0,2]=4 2092 B14R0.32 C#CCC(C)OCCCCCC(=O)OC 7a_100000685586_100009816466 [0,1,0,0,0,0|1,0,2]=4 2093 B14R0.32 C#CCN(C)CCCCCCC(=O)OC 2230a_100000225692_100009815986 [0,1,0,0,0,0|1,0,2]=4 2094 B14R0.32 C#CCN(C)CCCCCCC(=O)OC 34a_100000225692_100009815986 [0,1,0,0,0,0|1,0,2]=4 2095 B14R0.32 C/C=C/C(C)OCCCCCC(=O)OC 34a_200102604097_100009816466 [0,1,0,0,0,0|1,0,2]=4 2096 B14R0.32 C=CCC(=O)CCCCCCC(=O)OC 1458a_100000036694_100000210623 [0,1,0,0,0,0|0,0,1]=2 2097 B14R0.32 C=CCC(=O)CCCCCCC(=O)OC 1458a_100000210193_100009815986 [0,1,0,0,0,0|0,0,1]=2 2098 B14R0.32 C=CCC(=O)NCCCCCC(=O)OC 188690a_100000184999_100000210193 [0,1,0,0,0,0|1,0,1]=3 2099 B14R0.32 C=CCC(=O)NCCOCCC(=O)OC 188690a_100102954618_100000210193 [0,1,0,0,0,0|2,0,1]=4 2100 B14R0.32 C=CCC(C)COCCCCC(=O)OC 34a_100009832082_100000204269 [0,1,0,0,0,0|1,0,0]=2 2101 B14R0.32 C=CCC(C)COCCCCC(=O)OC 7a_100009832082_100000204269 [0,1,0,0,0,0|1,0,0]=2 2102 B14R0.32 C=CCC(C)COCCOCC(=O)OC 34a_100009832082_100000090808 [0,1,0,0,0,0|2,0,0]=3 2103 B14R0.32 C=CCC(C)COCCOCC(=O)OC 7a_100009832082_100000090808 [0,1,0,0,0,0|2,0,0]=3 2104 B14R0.32 C=CCN(C)CCCCCCC(=O)OC 2230a_100000225617_100009815986 [0,1,0,0,0,0|1,0,0]=2 2105 B14R0.32 C=CCN(C)CCCCCCC(=O)OC 269982a_100000225617_100009815986 [0,1,0,0,0,0|1,0,0]=2 2106 B14R0.32 C=CC[C@@H](C)OCCCCCC(=O)OC 34a_100000731007_100009816466 [0,1,0,0,0,0|1,0,0]=2 2107 B14R0.32 C=CC[C@@H](C)OCCCCCC(=O)OC 7a_100000731007_100009816466 [0,1,0,0,0,0|1,0,0]=2 2108 B14R0.32 C=CC[C@@H](N)COCCCCC(=O)OC 34a_100020615467_100000204269 [0,1,0,0,0,0|1,0,0]=2 2109 B14R0.32 C=CC[C@@H](N)COCCOCC(=O)OC 34a_100020615467_100000090808 [0,1,0,0,0,0|2,0,0]=3 2110 B14R0.32 C=COC(=O)COCCCCC(=O)OC 34a_100000059025_100000036128 [0,1,0,0,0,0|2,0,1]=4 2111 B14R0.32 C=COC(=O)CSCCCCC(=O)OC 62a_100000036128_100000204269 [0,1,0,0,0,0|2,0,1]=4 2112 B14R0.32 C=COC(=O)CSCCCCC(=O)OC 62a_100000204269_100000036128 [0,1,0,0,0,0|2,0,1]=4 2113 B14R0.32 CC=CC(=O)CCCCCCC(=O)OC 1458a_100000210699_100009815986 [0,1,0,0,0,0|0,0,3]=4 2114 B14R0.32 CCCC(=O)CCCCCCC(=O)OC 1458a_100000036694_100000210303 [0,1,0,0,0,0|0,0,3]=4 2115 B14R0.32 CCCC(=O)CCCCCCC(=O)OC 1458a_100000211992_100009815986 [0,1,0,0,0,0|0,0,3]=4 2116 B14R0.32 CCCC(C)CCCOCCC(=O)OC 34a_100011713154_100000742370 [0,1,0,0,0,0|1,0,2]=4 2117 B14R0.32 CCCC(C)CCCOCCC(=O)OC 7a_100011713154_100000204255 [0,1,0,0,0,0|1,0,2]=4 2118 B14R0.32 CCCC(C)CCOCCCC(=O)OC 34a_100011217855_100000742333 [0,1,0,0,0,0|1,0,2]=4 2119 B14R0.32 CCCC(C)CCOCCCC(=O)OC 7a_100011217855_100011218270 [0,1,0,0,0,0|1,0,2]=4 2120 B14R0.32 CCCC(C)COCCCCC(=O)OC 34a_100000059025_100011216630 [0,1,0,0,0,0|1,0,2]=4 2121 B14R0.32 CCCC(C)COCCCCC(=O)OC 34a_100000688023_100000204269 [0,1,0,0,0,0|1,0,2]=4 2122 B14R0.32 CCCC(C)COCCCCC(=O)OC 7a_100000059025_100011216630 [0,1,0,0,0,0|1,0,2]=4 2123 B14R0.32 CCCC(C)COCCCCC(=O)OC 7a_100000688023_100000204269 [0,1,0,0,0,0|1,0,2]=4 2124 B14R0.32 CCCC(C)CSCCCCC(=O)OC 62a_100000204269_100011216630 [0,1,0,0,0,0|1,0,2]=4 2125 B14R0.32 CCCC(C)CSCCCCC(=O)OC 62a_100011216630_100000204269 [0,1,0,0,0,0|1,0,2]=4 2126 B14R0.32 CCCC(C)NCCCCCC(=O)OC 2230a_100000741246_100009816466 [0,1,0,0,0,0|1,0,2]=4 2127 B14R0.32 CCCC(C)OCCCCCC(=O)OC 34a_100000074720_100000766640 [0,1,0,0,0,0|1,0,2]=4 2128 B14R0.32 CCCC(C)OCCCCCC(=O)OC 34a_100000764384_100009816466 [0,1,0,0,0,0|1,0,2]=4 2129 B14R0.32 CCCC(C)OCCCCCC(=O)OC 7a_100000074720_100000766640 [0,1,0,0,0,0|1,0,2]=4 2130 B14R0.32 CCCC(C)OCCCCCC(=O)OC 7a_100000764384_100009816466 [0,1,0,0,0,0|1,0,2]=4 2131 B14R0.32 CCCC(C)SCCCCCC(=O)OC 62a_100000766640_100009816466 [0,1,0,0,0,0|1,0,2]=4 2132 B14R0.32 CCCC(C)SCCCCCC(=O)OC 62a_100009816466_100000766640 [0,1,0,0,0,0|1,0,2]=4 2133 B14R0.32 CCCN(C)CCCCCCC(=O)OC 2230a_100000747261_100009815986 [0,1,0,0,0,0|1,0,2]=4 2134 B14R0.32 CCCN(C)CCCCCCC(=O)OC 269982a_100000747261_100009815986 [0,1,0,0,0,0|1,0,2]=4 2135 B14R0.32 CCC[C@H](N)CCOCCCC(=O)OC 34a_100015193777_100000742333 [0,1,0,0,0,0|1,0,2]=4 2136 B14R0.32 CCC[C@H](N)COCCCCC(=O)OC 34a_100000732646_100000204269 [0,1,0,0,0,0|1,0,2]=4 2137 B14R0.32 COC(=O)CCCCCCC(=O)C=CBr 1458a_100016273825_100009815986 [0,1,0,0,0,0|1,0,2]=4 2138 B14R0.32 COC(=O)CCCCCCC(=O)C=CCl 1458a_200016279998_100009815986 [0,1,0,0,0,0|1,0,2]=4 2139 B14R0.32 COC(=O)CCCCCCC(=O)C=CI 1458a_100016256311_100009815986 [0,1,0,0,0,0|1,0,2]=4 2140 B14R0.32 COC(=O)CCCCCCC(=O)CC#N 1458a_100000036694_100011214920 [0,1,0,0,0,0|1,0,2]=4 2141 B14R0.32 COC(=O)CCCCCCC(=O)CC#N 1458a_100051588842_100009815986 [0,1,0,0,0,0|1,0,2]=4 2142 B14R0.32 COC(=O)CCCCCCC(=O)CCF 1458a_100000036694_100011217306 [0,1,0,0,0,0|1,0,2]=4 2143 B14R0.32 COC(=O)CCCCCCC(=O)CCO 1458a_100000036694_100000211926 [0,1,0,0,0,0|1,0,2]=4 2144 B14R0.32 COC(=O)CCCCCCC(=O)CCO 1458a_100011216618_100009815986 [0,1,0,0,0,0|1,0,2]=4 2145 B14R0.32 COC(=O)CCCCCCC(=O)CSC 1458a_100000184570_100009815986 [0,1,0,0,0,0|1,0,2]=4 2146 B14R0.32 COC(=O)CCCCCCN(C)CC#N 2230a_100000748184_100009815986 [0,1,0,0,0,0|2,0,1]=4 2147 B14R0.32 COC(=O)CCCCCCN(C)CCO 2230a_100000210263_100009815986 [0,1,0,0,0,0|2,0,1]=4 2148 B14R0.32 COC(=O)CCCCCCN(C)CCO 269982a_100000210263_100009815986 [0,1,0,0,0,0|2,0,1]=4 2149 B14R0.32 COC(=O)CCCCCN[C@@H](C)CC#N 2230a_100016994482_100009816466 [0,1,0,0,0,0|2,0,1]=4 2150 B14R0.32 COC(=O)CCCCCN[C@H](C)CCO 2230a_100000706166_100009816466 [0,1,0,0,0,0|2,0,1]=4 2151 B14R0.32 COC(=O)CCCCCN[C@H](C)CCO 34a_100000706166_100009816466 [0,1,0,0,0,0|2,0,1]=4 2152 B14R0.32 COC(=O)CCCCCOC(C)CC#N 7a_100000074720_100009813641 [0,1,0,0,0,0|2,0,1]=4 2153 B14R0.32 COC(=O)CCCCCOC(C)CCBr 34a_100012276601_100009816466 [0,1,0,0,0,0|2,0,1]=4 2154 B14R0.32 COC(=O)CCCCCOC(C)CCO 34a_100000074720_100009893172 [0,1,0,0,0,0|2,0,1]=4 2155 B14R0.32 COC(=O)CCCCCOC(C)CCO 7a_100000074720_100009893172 [0,1,0,0,0,0|2,0,1]=4 2156 B14R0.32 COC(=O)CCCCCSC(C)CC#N 62a_100009813641_100009816466 [0,1,0,0,0,0|2,0,1]=4 2157 B14R0.32 COC(=O)CCCCCSC(C)CC#N 62a_100009816466_100009813641 [0,1,0,0,0,0|2,0,1]=4 2158 B14R0.32 COC(=O)CCCCCSC(C)CCO 62a_100009816466_100009893172 [0,1,0,0,0,0|2,0,1]=4 2159 B14R0.32 COC(=O)CCCCCSC(C)CCO 62a_100009893172_100009816466 [0,1,0,0,0,0|2,0,1]=4 2160 B14R0.32 COC(=O)CCCCOCC(C)CCN 34a_106354213184_100000204269 [0,1,0,0,0,0|2,0,1]=4 2161 B14R0.32 COC(=O)CCCCOC[C@@H](O)CC#N 7a_100000059025_100000001066 [0,1,0,0,0,0|2,0,1]=4 2162 B14R0.32 COC(=O)CCCCSC[C@@H](O)CC#N 62a_100000001066_100000204269 [0,1,0,0,0,0|2,0,1]=4 2163 B14R0.32 COC(=O)CCCCSC[C@@H](O)CC#N 62a_100000204269_100000001066 [0,1,0,0,0,0|2,0,1]=4 2164 B14R0.32 COCC(=O)CCCCCCC(=O)OC 1458a_100000210968_100009815986 [0,1,0,0,0,0|1,0,2]=4 2165 B14R0.32 COCC(C)OCCCCCC(=O)OC 34a_100000074720_100000765312 [0,1,0,0,0,0|2,0,1]=4 2166 B14R0.32 COCC(C)OCCCCCC(=O)OC 7a_100000074720_100000765312 [0,1,0,0,0,0|2,0,1]=4 2167 B14R0.32 COCC(C)SCCCCCC(=O)OC 62a_100000765312_100009816466 [0,1,0,0,0,0|2,0,1]=4 2168 B14R0.32 COCC(C)SCCCCCC(=O)OC 62a_100009816466_100000765312 [0,1,0,0,0,0|2,0,1]=4 2169 B14R0.32 COCC(N)COCCCCC(=O)OC 34a_100000724102_100000204269 [0,1,0,0,0,0|2,0,1]=4 2170 B14R0.32 COCC(O)CNCCCCC(=O)OC 2230a_100000756049_100000204269 [0,1,0,0,0,0|2,0,1]=4 2171 B14R0.32 COCC(O)CNCCCCC(=O)OC 34a_100000756049_100000204269 [0,1,0,0,0,0|2,0,1]=4 2172 B14R0.32 COCC(O)COCCCCC(=O)OC 34a_100000059025_100011215053 [0,1,0,0,0,0|2,0,1]=4 2173 B14R0.32 COCC(O)COCCCCC(=O)OC 7a_100000059025_100011215053 [0,1,0,0,0,0|2,0,1]=4 2174 B14R0.32 COCC(O)CSCCCCC(=O)OC 62a_100000204269_100011215053 [0,1,0,0,0,0|2,0,1]=4 2175 B14R0.32 COCC(O)CSCCCCC(=O)OC 62a_100011215053_100000204269 [0,1,0,0,0,0|2,0,1]=4 2176 B14R0.32 COC[C@@H](C)NCCCCCC(=O)OC 2230a_100000764878_100009816466 [0,1,0,0,0,0|2,0,1]=4 2177 B14R0.32 COC[C@@H](C)OCCCCCC(=O)OC 34a_100011934205_100009816466 [0,1,0,0,0,0|2,0,1]=4 2178 B14R0.82 C#CCCCCCCC(=O)CC(=O)OC 1458a_100000034748_100000747449 [0,1,0,0,0,0|0,0,3]=4 2179 B14R0.82 C#CCCCCCCC(=O)CC(=O)OC 1458a_100000211351_100012276617 [0,1,0,0,0,0|0,0,3]=4 2180 B14R0.82 C#CCCCCCCN(C)CC(=O)OC 2230a_100000198492_100012276617 [0,1,0,0,0,0|1,0,2]=4 2181 B14R0.82 C#CCCCCCOC(C)CC(=O)OC 34a_100000766912_100009817358 [0,1,0,0,0,0|1,0,2]=4 2182 B14R0.82 C#CCCCCCOC(C)CC(=O)OC 7a_100000766912_100009817358 [0,1,0,0,0,0|1,0,2]=4 2183 B14R0.82 C#CCCCCCSC(C)CC(=O)OC 62a_100009817358_100012094781 [0,1,0,0,0,0|1,0,2]=4 2184 B14R0.82 C#CCCCCCSC(C)CC(=O)OC 62a_100012094781_100009817358 [0,1,0,0,0,0|1,0,2]=4 2185 B14R0.82 C#CCCCCNC[C@H](O)CC(=O)OC 34a_100000706060_100000754131 [0,1,0,0,0,0|1,0,2]=4 2186 B14R0.82 C#CCCCCOC[C@H](O)CC(=O)OC 34a_100000766709_100000754131 [0,1,0,0,0,0|1,0,2]=4 2187 B14R0.82 C#CCCCCOC[C@H](O)CC(=O)OC 7a_100000766709_100000754131 [0,1,0,0,0,0|1,0,2]=4 2188 B14R0.82 C#CCCCCSC[C@H](O)CC(=O)OC 62a_100000754131_100010269958 [0,1,0,0,0,0|1,0,2]=4 2189 B14R0.82 C#CCCCCSC[C@H](O)CC(=O)OC 62a_100010269958_100000754131 [0,1,0,0,0,0|1,0,2]=4 2190 B14R0.82 C=CCCCCCCC(=O)CC(=O)CC 1458a_100011809334_100000747405 [0,1,0,0,0,0|1,0,1]=3 2191 B14R0.82 C=CCCCCCCC(=O)CC(=O)NC 1458a_100011809334_100000183359 [0,1,0,0,0,0|1,0,1]=3 2192 B14R0.82 C=CCCCCCCC(=O)CC(=O)OC 1458a_100000211351_100011215473 [0,1,0,0,0,0|0,0,1]=2 2193 B14R0.82 C=CCCCCCCC(=O)CC(=O)OC 1458a_100011809334_100000747449 [0,1,0,0,0,0|0,0,1]=2 2194 B14R0.82 C=CCCCCCCN(C)CC(=O)NC 2230a_100000189611_100011215473 [0,1,0,0,0,0|2,0,0]=3 2195 B14R0.82 C=CCCCCCCN(C)CC(=O)OC 2230a_100000198492_100011215473 [0,1,0,0,0,0|1,0,0]=2 2196 B14R0.82 C=CCCCCCOC(C)CC(=O)OC 34a_100011216702_100009817358 [0,1,0,0,0,0|1,0,0]=2 2197 B14R0.82 C=CCCCCCOC(C)CC(=O)OC 7a_100011216702_100009817358 [0,1,0,0,0,0|1,0,0]=2 2198 B14R0.82 C=CCCCCCSC(C)CC(=O)OC 62a_100000700193_100009817358 [0,1,0,0,0,0|1,0,0]=2 2199 B14R0.82 C=CCCCCCSC(C)CC(=O)OC 62a_100009817358_100000700193 [0,1,0,0,0,0|1,0,0]=2 2200 B14R0.82 C=CCCCCNC[C@H](O)CC(=O)OC 34a_100000703577_100000754131 [0,1,0,0,0,0|1,0,0]=2 2201 B14R0.82 C=CCCCCOC[C@H](O)CC(=O)OC 34a_100000766645_100000754131 [0,1,0,0,0,0|1,0,0]=2 2202 B14R0.82 C=CCCCCOC[C@H](O)CC(=O)OC 7a_100000766645_100000754131 [0,1,0,0,0,0|1,0,0]=2 2203 B14R0.82 C=CCCCCSCC(=O)CC(=O)OC 62a_100000210525_100011215482 [0,1,0,0,0,0|1,0,1]=3 2204 B14R0.82 C=CCCCCSCC(=O)CC(=O)OC 62a_100011215482_100000210525 [0,1,0,0,0,0|1,0,1]=3 2205 B14R0.82 C=CCCCCSCC(=O)NC(=O)OC 62a_100011215482_100000010850 [0,1,0,0,0,0|2,0,1]=4 2206 B14R0.82 C=CCCCCSC[C@H](O)CC(=O)OC 62a_100000754131_100011215482 [0,1,0,0,0,0|1,0,0]=2 2207 B14R0.82 C=CCCCCSC[C@H](O)CC(=O)OC 62a_100011215482_100000754131 [0,1,0,0,0,0|1,0,0]=2 2208 B14R0.82 C=CCOCCOC[C@H](O)CC(=O)OC 34a_100000037705_100000754131 [0,1,0,0,0,0|2,0,0]=3 2209 B14R0.82 C=CCOCCOC[C@H](O)CC(=O)OC 7a_100000037705_100000754131 [0,1,0,0,0,0|2,0,0]=3 2210 B14R0.82 C=COCCCCOC(C)CC(=O)OC 34a_100000031558_100009817358 [0,1,0,0,0,0|2,0,0]=3 2211 B14R0.82 C=COCCCCOC(C)CC(=O)OC 7a_100000031558_100009817358 [0,1,0,0,0,0|2,0,0]=3 2212 B14R0.82 C=COCCCNC[C@H](O)CC(=O)OC 34a_100000210767_100000754131 [0,1,0,0,0,0|2,0,0]=3 2213 B14R0.82 CC=CCCCOC[C@H](O)CC(=O)OC 34a_100020645299_100000754131 [0,1,0,0,0,0|1,0,2]=4 2214 B14R0.82 CCCCCCCCC(=O)CC(=O)OC 1458a_100000210188_100000747449 [0,1,0,0,0,0|0,0,3]=4 2215 B14R0.82 CCCCCCCCC(=O)CC(=O)OC 1458a_100000211351_100000210759 [0,1,0,0,0,0|0,0,3]=4 2216 B14R0.82 CCCCCCCCN(C)CC(=O)OC 2230a_100000198492_100000210759 [0,1,0,0,0,0|1,0,2]=4 2217 B14R0.82 CCCCCCCCN(C)CC(=O)OC 2230a_100000207567_100000747449 [0,1,0,0,0,0|1,0,2]=4 2218 B14R0.82 CCCCCCCCN(C)CC(=O)OC 269982a_100000207567_100000747449 [0,1,0,0,0,0|1,0,2]=4 2219 B14R0.82 CCCCCCCNC(C)CC(=O)OC 2230a_100000229938_100009817358 [0,1,0,0,0,0|1,0,2]=4 2220 B14R0.82 CCCCCCCOC(C)CC(=O)OC 34a_100000210272_100009817358 [0,1,0,0,0,0|1,0,2]=4 2221 B14R0.82 CCCCCCCOC(C)CC(=O)OC 7a_100000210272_100009817358 [0,1,0,0,0,0|1,0,2]=4 2222 B14R0.82 CCCCCCCSC(C)CC(=O)OC 62a_100000210614_100009817358 [0,1,0,0,0,0|1,0,2]=4 2223 B14R0.82 CCCCCCCSC(C)CC(=O)OC 62a_100009817358_100000210316 [0,1,0,0,0,0|1,0,2]=4 2224 B14R0.82 CCCCCCOC[C@H](O)CC(=O)OC 34a_100000210259_100000754131 [0,1,0,0,0,0|1,0,2]=4 2225 B14R0.82 CCCCCCOC[C@H](O)CC(=O)OC 7a_100000210259_100000754131 [0,1,0,0,0,0|1,0,2]=4 2226 B14R0.82 CCCCCCSC[C@H](O)CC(=O)OC 62a_100000210314_100000754131 [0,1,0,0,0,0|1,0,2]=4 2227 B14R0.82 CCCCCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000210757 [0,1,0,0,0,0|1,0,2]=4 2228 B14R0.82 CNCCCCCOC(C)CC(=O)OC 34a_100000722520_100009817358 [0,1,0,0,0,0|2,0,1]=4 2229 B14R0.82 COC(=O)CC(=O)CCCCCCC#N 1458a_100000211351_100009813337 [0,1,0,0,0,0|1,0,2]=4 2230 B14R0.82 COC(=O)CC(=O)CCCCCCCO 1458a_100000211351_100000760002 [0,1,0,0,0,0|1,0,2]=4 2231 B14R0.82 COC(=O)CC(=O)CCCCCCCO 1458a_100011219782_100000747449 [0,1,0,0,0,0|1,0,2]=4 2232 B14R0.82 COC(=O)CC(=O)CSCCCCC=O 62a_100000139335_100000210525 [0,1,0,0,0,0|2,0,1]=4 2233 B14R0.82 COC(=O)CC(=O)CSCCCCC=O 62a_100000210525_100000139335 [0,1,0,0,0,0|2,0,1]=4 2234 B14R0.82 COC(=O)CC(C)NCCCCCCO 2230a_100000686447_100009817358 [0,1,0,0,0,0|2,0,1]=4 2235 B14R0.82 COC(=O)CC(C)NCCCCCCO 34a_100000686447_100009817358 [0,1,0,0,0,0|2,0,1]=4 2236 B14R0.82 COC(=O)CC(C)OCCCCCCBr 34a_100011215345_100009817358 [0,1,0,0,0,0|2,0,1]=4 2237 B14R0.82 COC(=O)CC(C)OCCCCCCBr 7a_100011215345_100009817358 [0,1,0,0,0,0|2,0,1]=4 2238 B14R0.82 COC(=O)CC(C)OCCCCCCCl 34a_100000766143_100009817358 [0,1,0,0,0,0|2,0,1]=4 2239 B14R0.82 COC(=O)CC(C)OCCCCCCCl 7a_100000766143_100009817358 [0,1,0,0,0,0|2,0,1]=4 2240 B14R0.82 COC(=O)CC(C)OCCCCCCF 34a_100000732779_100009817358 [0,1,0,0,0,0|2,0,1]=4 2241 B14R0.82 COC(=O)CC(C)OCCCCCCF 7a_100000732779_100009817358 [0,1,0,0,0,0|2,0,1]=4 2242 B14R0.82 COC(=O)CC(C)OCCCCCCN 34a_100000686447_100009817358 [0,1,0,0,0,0|2,0,1]=4 2243 B14R0.82 COC(=O)CC(C)SCCCCCC#N 62a_100009813376_100009817358 [0,1,0,0,0,0|2,0,1]=4 2244 B14R0.82 COC(=O)CC(C)SCCCCCC#N 62a_100009817358_100009813376 [0,1,0,0,0,0|2,0,1]=4 2245 B14R0.82 COC(=O)CC(C)SCCCCCC=O 62a_100000139337_100009817358 [0,1,0,0,0,0|2,0,0]=3 2246 B14R0.82 COC(=O)CC(C)SCCCCCC=O 62a_100009817358_100000139337 [0,1,0,0,0,0|2,0,0]=3 2247 B14R0.82 COC(=O)CC(C)SCCCCCCF 62a_100009817358_100015922095 [0,1,0,0,0,0|2,0,1]=4 2248 B14R0.82 COC(=O)CC(C)SCCCCCCF 62a_100015922095_100009817358 [0,1,0,0,0,0|2,0,1]=4 2249 B14R0.82 COC(=O)CC(C)SCCCCCCO 62a_100000766143_100009817358 [0,1,0,0,0,0|2,0,1]=4 2250 B14R0.82 COC(=O)CC(C)SCCCCCCO 62a_100009817358_100000766143 [0,1,0,0,0,0|2,0,1]=4 2251 B14R0.82 COC(=O)CN(C)CCCCCCC#N 2230a_100000198492_100009813337 [0,1,0,0,0,0|2,0,1]=4 2252 B14R0.82 COC(=O)CN(C)CCCCCCCO 2230a_100000198492_100000760002 [0,1,0,0,0,0|2,0,1]=4 2253 B14R0.82 COC(=O)C[C@@H](O)CNCCCCCO 34a_100000762737_100000754131 [0,1,0,0,0,0|2,0,1]=4 2254 B14R0.82 COC(=O)C[C@@H](O)COCCCCCBr 34a_100000746331_100000754131 [0,1,0,0,0,0|2,0,1]=4 2255 B14R0.82 COC(=O)C[C@@H](O)COCCCCCBr 7a_100000746331_100000754131 [0,1,0,0,0,0|2,0,1]=4 2256 B14R0.82 COC(=O)C[C@@H](O)COCCCCCCl 34a_100000746330_100000754131 [0,1,0,0,0,0|2,0,1]=4 2257 B14R0.82 COC(=O)C[C@@H](O)COCCCCCCl 7a_100000746330_100000754131 [0,1,0,0,0,0|2,0,1]=4 2258 B14R0.82 COC(=O)C[C@@H](O)COCCCCCI 34a_200012148887_100000754131 [0,1,0,0,0,0|2,0,1]=4 2259 B14R0.82 COC(=O)C[C@@H](O)COCCCCCI 7a_200012148887_100000754131 [0,1,0,0,0,0|2,0,1]=4 2260 B14R0.82 COC(=O)C[C@@H](O)COCCCCCN 34a_100000762737_100000754131 [0,1,0,0,0,0|2,0,1]=4 2261 B14R0.82 COC(=O)C[C@@H](O)COCCCCSC 34a_100011217163_100000754131 [0,1,0,0,0,0|2,0,1]=4 2262 B14R0.82 COC(=O)C[C@@H](O)COCCCCSC 7a_100011217163_100000754131 [0,1,0,0,0,0|2,0,1]=4 2263 B14R0.82 COC(=O)C[C@@H](O)CSCCCCC#N 62a_100000754131_100000211819 [0,1,0,0,0,0|2,0,1]=4 2264 B14R0.82 COC(=O)C[C@@H](O)CSCCCCC#N 62a_100011219923_100000754131 [0,1,0,0,0,0|2,0,1]=4 2265 B14R0.82 COC(=O)C[C@@H](O)CSCCCCC=O 62a_100000139335_100000754131 [0,1,0,0,0,0|2,0,0]=3 2266 B14R0.82 COC(=O)C[C@@H](O)CSCCCCC=O 62a_100000754131_100000139335 [0,1,0,0,0,0|2,0,0]=3 2267 B14R0.82 COC(=O)C[C@@H](O)CSCCCCCF 62a_100000729378_100000754131 [0,1,0,0,0,0|2,0,1]=4 2268 B14R0.82 COC(=O)C[C@@H](O)CSCCCCCF 62a_100000754131_100000729378 [0,1,0,0,0,0|2,0,1]=4 2269 B14R0.82 COC(=O)C[C@@H](O)CSCCCCCO 62a_100000746330_100000754131 [0,1,0,0,0,0|2,0,1]=4 2270 B14R0.82 COC(=O)C[C@@H](O)CSCCCCCO 62a_100000754131_100000746330 [0,1,0,0,0,0|2,0,1]=4 2271 B14R0.82 COCCCCCCC(=O)CC(=O)OC 1458a_100000211351_100011998445 [0,1,0,0,0,0|1,0,2]=4 2272 B14R0.82 COCCCCCCN(C)CC(=O)OC 2230a_100000198492_100011998445 [0,1,0,0,0,0|2,0,1]=4 2273 B14R0.82 COCCCCCNC(C)CC(=O)OC 2230a_100000747528_100009817358 [0,1,0,0,0,0|2,0,1]=4 2274 B14R0.82 COCCCCCNC(C)CC(=O)OC 34a_100000747528_100009817358 [0,1,0,0,0,0|2,0,1]=4 2275 B14R0.82 COCCCCOC[C@H](O)CC(=O)OC 34a_100000740925_100000754131 [0,1,0,0,0,0|2,0,1]=4 2276 B14R0.82 COCCCCSC[C@H](O)CC(=O)OC 62a_100000730899_100000754131 [0,1,0,0,0,0|2,0,1]=4 2277 B14R0.82 COCCCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000730899 [0,1,0,0,0,0|2,0,1]=4 2278 B14R0.140 C#CCCCCCC(=O)CCC(=O)OC 1458a_100000187943_100012094781 [0,1,0,0,0,0|0,0,3]=4 2279 B14R0.140 C#CCCCCCN(C)CCC(=O)OC 269982a_100025711912_100012094781 [0,1,0,0,0,0|1,0,2]=4 2280 B14R0.140 C=CCCCCCC(=O)CCC(=O)NC 1458a_100011309844_100000700193 [0,1,0,0,0,0|1,0,1]=3 2281 B14R0.140 C=CCCCCCC(=O)CCC(=O)OC 1458a_100000187943_100000700193 [0,1,0,0,0,0|0,0,1]=2 2282 B14R0.140 C=CCCCCCC(=O)CCS(=O)CC 1458a_100011387550_100000700193 [0,1,0,0,0,0|2,0,1]=4 2283 B14R0.140 C=CCCCCCC(=O)CNC(=O)CC 1458a_100000194589_100000700193 [0,1,0,0,0,0|2,0,1]=4 2284 B14R0.140 C=CCCCCCC(=O)CNC(=O)OC 1458a_100000215747_100000700193 [0,1,0,0,0,0|1,0,1]=3 2285 B14R0.140 C=CCCCCCC(=O)NCC(=O)NC 11a_100000693194_100011934241 [0,1,0,0,0,0|2,0,1]=4 2286 B14R0.140 C=CCCCCCC(=O)NCC(=O)NC 240690a_100000693194_100011934241 [0,1,0,0,0,0|2,0,1]=4 2287 B14R0.140 C=CCCCCCC(=O)NCC(=O)NC 527a_100000693194_100011934241 [0,1,0,0,0,0|2,0,1]=4 2288 B14R0.140 C=CCCCCCC(=O)NCC(=O)OC 188690a_100000185156_100011934241 [0,1,0,0,0,0|1,0,1]=3 2289 B14R0.140 C=CCCCCCN(C)CCC(=O)NC 2230a_100000750875_100000700193 [0,1,0,0,0,0|2,0,0]=3 2290 B14R0.140 C=CCCCCCN(C)CCC(=O)NC 269982a_100000750875_100000700193 [0,1,0,0,0,0|2,0,0]=3 2291 B14R0.140 C=CCCCCCN(C)CCC(=O)OC 269982a_100025711912_100000700193 [0,1,0,0,0,0|1,0,0]=2 2292 B14R0.140 C=CCCCCNC(=O)CCC(=O)NC 11a_100000703577_100011309844 [0,1,0,0,0,0|2,0,1]=4 2293 B14R0.140 C=CCCCCNC(=O)CCC(=O)NC 1626a_100000703577_100011309844 [0,1,0,0,0,0|2,0,1]=4 2294 B14R0.140 C=CCCCCNC(=O)CCC(=O)NC 240690a_100000703577_100011309844 [0,1,0,0,0,0|2,0,1]=4 2295 B14R0.140 C=CCCCCNC(=O)CCC(=O)NC 527a_100000703577_100011309844 [0,1,0,0,0,0|2,0,1]=4 2296 B14R0.140 C=CCCCCNC(=O)CCC(=O)OC 11a_100000703577_100000187943 [0,1,0,0,0,0|1,0,1]=3 2297 B14R0.140 C=CCCCCNC(=O)CCC(=O)OC 1626a_100000703577_100000187943 [0,1,0,0,0,0|1,0,1]=3 2298 B14R0.140 C=CCCCCNC(=O)CCC(=O)OC 240690a_100000703577_100000187943 [0,1,0,0,0,0|1,0,1]=3 2299 B14R0.140 C=CCCCCNC(=O)CCC(=O)OC 527a_100000703577_100000187943 [0,1,0,0,0,0|1,0,1]=3 2300 B14R0.140 C=CCCCCNC(=O)CNC(=O)OC 11a_100000703577_100000215747 [0,1,0,0,0,0|2,0,1]=4 2301 B14R0.140 C=CCCCCNC(=O)CNC(=O)OC 1626a_100000703577_100000215747 [0,1,0,0,0,0|2,0,1]=4 2302 B14R0.140 C=CCCCCNC(=O)CNC(=O)OC 240690a_100000703577_100000215747 [0,1,0,0,0,0|2,0,1]=4 2303 B14R0.140 C=CCCCCNC(=O)CNC(=O)OC 527a_100000703577_100000215747 [0,1,0,0,0,0|2,0,1]=4 2304 B14R0.140 C=CCCCNCC(=O)CCC(=O)OC 2230a_100000700776_100000691467 [0,1,0,0,0,0|1,0,1]=3 2305 B14R0.140 C=CCCCNCC(=O)CCC(=O)OC 34a_100000700776_100000691467 [0,1,0,0,0,0|1,0,1]=3 2306 B14R0.140 C=CCCCNCC(=O)NCC(=O)OC 2230a_100000700776_100000182966 [0,1,0,0,0,0|2,0,1]=4 2307 B14R0.140 C=CCCCNCC(=O)NCC(=O)OC 34a_100000700776_100000182966 [0,1,0,0,0,0|2,0,1]=4 2308 B14R0.140 C=CCCCOCC(=O)CCC(=O)OC 34a_100000758997_100000691467 [0,1,0,0,0,0|1,0,1]=3 2309 B14R0.140 C=CCCCOCC(=O)CCC(=O)OC 7a_100000758997_100000691467 [0,1,0,0,0,0|1,0,1]=3 2310 B14R0.140 C=CCCCOCC(=O)NCC(=O)OC 34a_100000758997_100000182966 [0,1,0,0,0,0|2,0,1]=4 2311 B14R0.140 C=CCCCOCC(=O)NCC(=O)OC 7a_100000758997_100000182966 [0,1,0,0,0,0|2,0,1]=4 2312 B14R0.140 C=CCCCSCC(=O)CCC(=O)OC 62a_100000691467_100000757094 [0,1,0,0,0,0|1,0,1]=3 2313 B14R0.140 C=CCCCSCC(=O)CCC(=O)OC 62a_100011713584_100000691467 [0,1,0,0,0,0|1,0,1]=3 2314 B14R0.140 C=CCCCSCC(=O)NCC(=O)OC 62a_100000182966_100000757094 [0,1,0,0,0,0|2,0,1]=4 2315 B14R0.140 C=CCCCSCC(=O)NCC(=O)OC 62a_100011713584_100000182966 [0,1,0,0,0,0|2,0,1]=4 2316 B14R0.140 C=COCCCNC(=O)CCC(=O)OC 11a_100000210767_100000187943 [0,1,0,0,0,0|2,0,1]=4 2317 B14R0.140 C=COCCCNC(=O)CCC(=O)OC 1626a_100000210767_100000187943 [0,1,0,0,0,0|2,0,1]=4 2318 B14R0.140 C=COCCCNC(=O)CCC(=O)OC 240690a_100000210767_100000187943 [0,1,0,0,0,0|2,0,1]=4 2319 B14R0.140 C=COCCCNC(=O)CCC(=O)OC 527a_100000210767_100000187943 [0,1,0,0,0,0|2,0,1]=4 2320 B14R0.140 C=COCCOCC(=O)CCC(=O)OC 34a_100000033082_100000691467 [0,1,0,0,0,0|2,0,1]=4 2321 B14R0.140 C=COCCSCC(=O)CCC(=O)OC 62a_100000039644_100000691467 [0,1,0,0,0,0|2,0,1]=4 2322 B14R0.140 C=COCCSCC(=O)CCC(=O)OC 62a_100000691467_100000039644 [0,1,0,0,0,0|2,0,1]=4 2323 B14R0.140 CCCCCCCC(=O)CCC(=O)OC 1458a_100000187943_100000210614 [0,1,0,0,0,0|0,0,3]=4 2324 B14R0.140 CCCCCCCC(C)OCC(=O)OC 34a_200011215852_100000747449 [0,1,0,0,0,0|1,0,2]=4 2325 B14R0.140 CCCCCCCC(C)OCC(=O)OC 7a_200011215852_100000747449 [0,1,0,0,0,0|1,0,2]=4 2326 B14R0.140 CCCCCCCC(C)SCC(=O)OC 62a_100000747449_200011218727 [0,1,0,0,0,0|1,0,2]=4 2327 B14R0.140 CCCCCCCC(C)SCC(=O)OC 62a_200011218727_100000747449 [0,1,0,0,0,0|1,0,2]=4 2328 B14R0.140 CCCCCCCN(C)CCC(=O)OC 2230a_100000228206_100000204255 [0,1,0,0,0,0|1,0,2]=4 2329 B14R0.140 CCCCCCCN(C)CCC(=O)OC 269982a_100000228206_100000204255 [0,1,0,0,0,0|1,0,2]=4 2330 B14R0.140 CCCCCCCN(C)CCC(=O)OC 269982a_100025711912_100000210681 [0,1,0,0,0,0|1,0,2]=4 2331 B14R0.140 CNC(=O)CCN(C)CCCCCC=O 2230a_100000750875_100000139337 [0,1,0,0,0,0|3,0,0]=4 2332 B14R0.140 CNC(=O)CCN(C)CCCCCC=O 269982a_100000750875_100000139337 [0,1,0,0,0,0|3,0,0]=4 2333 B14R0.140 COC(=O)CCC(=O)CCCCCC#N 1458a_100000187943_100009813376 [0,1,0,0,0,0|1,0,2]=4 2334 B14R0.140 COC(=O)CCC(=O)CCCCCCF 1458a_100000187943_100015922095 [0,1,0,0,0,0|1,0,2]=4 2335 B14R0.140 COC(=O)CCC(=O)CCCCCCO 1458a_100000187943_100000766143 [0,1,0,0,0,0|1,0,2]=4 2336 B14R0.140 COC(=O)CCC(=O)CSCCCC=O 62a_100000691467_200011292268 [0,1,0,0,0,0|2,0,1]=4 2337 B14R0.140 COC(=O)CCC(=O)CSCCCC=O 62a_200011292268_100000691467 [0,1,0,0,0,0|2,0,1]=4 2338 B14R0.140 COC(=O)CCN(C)CCCCCC#N 269982a_100025711912_100009813376 [0,1,0,0,0,0|2,0,1]=4 2339 B14R0.140 COC(=O)CCN(C)CCCCCC=O 269982a_100025711912_100000139337 [0,1,0,0,0,0|2,0,0]=3 2340 B14R0.140 COC(=O)CCN(C)CCCCCCF 269982a_100025711912_100015922095 [0,1,0,0,0,0|2,0,1]=4 2341 B14R0.140 COC(=O)CCN(C)CCCCCCO 269982a_100025711912_100000766143 [0,1,0,0,0,0|2,0,1]=4 2342 B14R0.152 C#CCCC(=O)CCCCCC(=O)OC 1458a_100000692101_100009816466 [0,1,0,0,0,0|0,0,3]=4 2343 B14R0.152 C#CCCC(=O)CCCCCC(=O)OC 1458a_100009848860_100000753159 [0,1,0,0,0,0|0,0,3]=4 2344 B14R0.152 C/C=C/CC(=O)CCCCCC(=O)OC 1458a_100009848860_100102629194 [0,1,0,0,0,0|0,0,3]=4 2345 B14R0.152 C=CC=CC(=O)CCCCCC(=O)OC 1458a_100016291481_100009816466 [0,1,0,0,0,0|0,0,3]=4 2346 B14R0.152 C=CCCC(=O)CCCCCC(=O)OC 1458a_100000749702_100009816466 [0,1,0,0,0,0|0,0,1]=2 2347 B14R0.152 C=CCCC(=O)CCCCCC(=O)OC 1458a_100009848860_100000754431 [0,1,0,0,0,0|0,0,1]=2 2348 B14R0.152 C=CCCC(=O)NCCCCC(=O)OC 188690a_100000746077_100000749702 [0,1,0,0,0,0|1,0,1]=3 2349 B14R0.152 C=CCCC(C)OCCCCC(=O)OC 34a_100000765329_100000204269 [0,1,0,0,0,0|1,0,0]=2 2350 B14R0.152 C=CCCC(C)OCCCCC(=O)OC 7a_100000765329_100000204269 [0,1,0,0,0,0|1,0,0]=2 2351 B14R0.152 C=CCCC(C)OCCOCC(=O)OC 34a_100000765329_100000090808 [0,1,0,0,0,0|2,0,0]=3 2352 B14R0.152 C=CCCC(C)OCCOCC(=O)OC 7a_100000765329_100000090808 [0,1,0,0,0,0|2,0,0]=3 2353 B14R0.152 C=CCCN(C)CCCCCC(=O)OC 2230a_100020639649_100009816466 [0,1,0,0,0,0|1,0,0]=2 2354 B14R0.152 C=CCCN(C)CCCCCC(=O)OC 269982a_100020639649_100009816466 [0,1,0,0,0,0|1,0,0]=2 2355 B14R0.152 C=CCNC(=O)CCCCCC(=O)OC 1626a_100020586998_100009848860 [0,1,0,0,0,0|1,0,1]=3 2356 B14R0.152 C=CCNC(=O)CCCCCC(=O)OC 240690a_100020586998_100009848860 [0,1,0,0,0,0|1,0,1]=3 2357 B14R0.152 C=CCNC(=O)CCSCCC(=O)OC 62a_100000204255_100011222895 [0,1,0,0,0,0|2,0,1]=4 2358 B14R0.152 C=CCNC(=O)CCSCCC(=O)OC 62a_100011222895_100000204255 [0,1,0,0,0,0|2,0,1]=4 2359 B14R0.152 C=CCNC(=O)CSCCCC(=O)OC 62a_100000183597_100011218270 [0,1,0,0,0,0|2,0,1]=4 2360 B14R0.152 C=CCNC(=O)CSCCCC(=O)OC 62a_100011218270_100000183597 [0,1,0,0,0,0|2,0,1]=4 2361 B14R0.152 C=CCOC(=O)CSCCCC(=O)OC 62a_100000033060_100011218270 [0,1,0,0,0,0|2,0,1]=4 2362 B14R0.152 C=CCOC(=O)CSCCCC(=O)OC 62a_100011218270_100000033060 [0,1,0,0,0,0|2,0,1]=4 2363 B14R0.152 CC=CCC(=O)CCCCCC(=O)OC 1458a_100009848860_100000070051 [0,1,0,0,0,0|0,0,3]=4 2364 B14R0.152 CC=CCC(=O)CCCCCC(=O)OC 1458a_100121576822_100009816466 [0,1,0,0,0,0|0,0,3]=4 2365 B14R0.152 CCCCC(=O)CCCCCC(=O)OC 1458a_100000210183_100009816466 [0,1,0,0,0,0|0,0,3]=4 2366 B14R0.152 CCCCC(=O)CCCCCC(=O)OC 1458a_100009848860_100000210211 [0,1,0,0,0,0|0,0,3]=4 2367 B14R0.152 CCCCC(C)COCCCC(=O)OC 34a_100011995851_100000742333 [0,1,0,0,0,0|1,0,2]=4 2368 B14R0.152 CCCCC(C)COCCCC(=O)OC 7a_100011995851_100011218270 [0,1,0,0,0,0|1,0,2]=4 2369 B14R0.152 CCCCC(C)NCCCCC(=O)OC 2230a_100000126638_100000204269 [0,1,0,0,0,0|1,0,2]=4 2370 B14R0.152 CCCCC(C)OCCCCC(=O)OC 34a_100000059025_200011215066 [0,1,0,0,0,0|1,0,2]=4 2371 B14R0.152 CCCCC(C)OCCCCC(=O)OC 34a_100000687866_100000204269 [0,1,0,0,0,0|1,0,2]=4 2372 B14R0.152 CCCCC(C)OCCCCC(=O)OC 7a_100000059025_200011215066 [0,1,0,0,0,0|1,0,2]=4 2373 B14R0.152 CCCCC(C)OCCCCC(=O)OC 7a_100000687866_100000204269 [0,1,0,0,0,0|1,0,2]=4 2374 B14R0.152 CCCCC(C)SCCCCC(=O)OC 62a_100000204269_200011215066 [0,1,0,0,0,0|1,0,2]=4 2375 B14R0.152 CCCCC(C)SCCCCC(=O)OC 62a_200011215066_100000204269 [0,1,0,0,0,0|1,0,2]=4 2376 B14R0.152 CCCCN(C)CCCCCC(=O)OC 2230a_100000207549_100009816466 [0,1,0,0,0,0|1,0,2]=4 2377 B14R0.152 CCCCN(C)CCCCCC(=O)OC 269982a_100000207549_100009816466 [0,1,0,0,0,0|1,0,2]=4 2378 B14R0.152 CCCC[C@H](N)COCCCC(=O)OC 34a_100011934283_100000742333 [0,1,0,0,0,0|1,0,2]=4 2379 B14R0.152 COC(=O)CCCCCC(=O)CCC#N 1458a_100009848860_100011215226 [0,1,0,0,0,0|1,0,2]=4 2380 B14R0.152 COC(=O)CCCCCC(=O)CCC#N 1458a_100011934036_100009816466 [0,1,0,0,0,0|1,0,2]=4 2381 B14R0.152 COC(=O)CCCCCC(=O)CCCF 1458a_100009848860_100011934791 [0,1,0,0,0,0|1,0,2]=4 2382 B14R0.152 COC(=O)CCCCCC(=O)CCCO 1458a_100009848860_100011215043 [0,1,0,0,0,0|1,0,2]=4 2383 B14R0.152 COC(=O)CCCCCC(=O)CCSC 1458a_100000174002_100009816466 [0,1,0,0,0,0|1,0,2]=4 2384 B14R0.152 COC(=O)CCCCCC(=O)CCSC 1458a_100009848860_100000751147 [0,1,0,0,0,0|1,0,2]=4 2385 B14R0.152 COC(=O)CCCCCN(C)CCC#N 2230a_100000184479_100009816466 [0,1,0,0,0,0|2,0,1]=4 2386 B14R0.152 COC(=O)CCCCCN(C)CCCO 2230a_100000213112_100009816466 [0,1,0,0,0,0|2,0,1]=4 2387 B14R0.152 COC(=O)CCCCCN(C)CCCO 269982a_100000213112_100009816466 [0,1,0,0,0,0|2,0,1]=4 2388 B14R0.152 COC(=O)CCCCCN(C)CCSC 2230a_100000686725_100009816466 [0,1,0,0,0,0|2,0,1]=4 2389 B14R0.152 COC(=O)CCCCCN(C)CCSC 269982a_100000686725_100009816466 [0,1,0,0,0,0|2,0,1]=4 2390 B14R0.152 COC(=O)CCCCOC(C)CCCCl 34a_200000718107_100000204269 [0,1,0,0,0,0|2,0,1]=4 2391 B14R0.152 COC(=O)CCCCOC(C)CCCCl 7a_200000718107_100000204269 [0,1,0,0,0,0|2,0,1]=4 2392 B14R0.152 COC(=O)CCCNC[C@H](C)CCCO 2230a_100160569302_100011218270 [0,1,0,0,0,0|2,0,1]=4 2393 B14R0.152 COC(=O)CCCNC[C@H](C)CCCO 34a_100160569302_100000742333 [0,1,0,0,0,0|2,0,1]=4 2394 B14R0.152 COC(=O)CCCOC[C@@H](N)CCSC 34a_100011827619_100000742333 [0,1,0,0,0,0|2,0,1]=4 2395 B14R0.152 COCCC(=O)CCCCCC(=O)OC 1458a_100000749529_100009816466 [0,1,0,0,0,0|1,0,2]=4 2396 B14R0.152 COCCC(=O)CCCCCC(=O)OC 1458a_100009848860_100000233755 [0,1,0,0,0,0|1,0,2]=4 2397 B14R0.152 COCCN(C)CCCCCC(=O)OC 2230a_100000743101_100009816466 [0,1,0,0,0,0|2,0,1]=4 2398 B14R0.152 COCCN(C)CCCCCC(=O)OC 269982a_100000743101_100009816466 [0,1,0,0,0,0|2,0,1]=4 2399 B14R0.181 C#CCCCCCCOC(C)C(=O)OC 34a_100011215400_100012276617 [0,1,0,0,0,0|1,0,2]=4 2400 B14R0.181 C#CCCCCCCOC(C)C(=O)OC 34a_100011217361_100000211248 [0,1,0,0,0,0|1,0,2]=4 2401 B14R0.181 C#CCCCCCCOC(C)C(=O)OC 7a_100011217361_100000211248 [0,1,0,0,0,0|1,0,2]=4 2402 B14R0.181 C#CCCCCCCSC(C)C(=O)OC 62a_100000211248_100012276617 [0,1,0,0,0,0|1,0,2]=4 2403 B14R0.181 C#CCCCCCCSC(C)C(=O)OC 62a_100012276617_100000211248 [0,1,0,0,0,0|1,0,2]=4 2404 B14R0.181 C#CCCCCCOCC(C)C(=O)OC 34a_100000749362_100012094781 [0,1,0,0,0,0|1,0,2]=4 2405 B14R0.181 C#CCCCCCOCC(C)C(=O)OC 34a_100000766912_100000698445 [0,1,0,0,0,0|1,0,2]=4 2406 B14R0.181 C#CCCCCCOCC(C)C(=O)OC 7a_100000749362_100012094781 [0,1,0,0,0,0|1,0,2]=4 2407 B14R0.181 C#CCCCCCOCC(F)C(=O)OC 34a_200009849844_100012094781 [0,1,0,0,0,0|1,0,2]=4 2408 B14R0.181 C#CCCCCCOC[C@@H](N)C(=O)OC 34a_100000003586_100012094781 [0,1,0,0,0,0|1,0,2]=4 2409 B14R0.181 C#CCCCCCSCC(C)C(=O)OC 62a_100000698445_100012094781 [0,1,0,0,0,0|1,0,2]=4 2410 B14R0.181 C#CCCCCCSCC(C)C(=O)OC 62a_100012094781_100000698445 [0,1,0,0,0,0|1,0,2]=4 2411 B14R0.181 C#CCCCCNCCC(C)C(=O)OC 2230a_100000706060_100000034942 [0,1,0,0,0,0|1,0,2]=4 2412 B14R0.181 C#CCCCCNCCC(C)C(=O)OC 34a_100000706060_100000034942 [0,1,0,0,0,0|1,0,2]=4 2413 B14R0.181 C#CCCCCOCCC(C)C(=O)OC 34a_100000766709_100000034942 [0,1,0,0,0,0|1,0,2]=4 2414 B14R0.181 C#CCCCCOCCC(C)C(=O)OC 7a_100000766709_100000034942 [0,1,0,0,0,0|1,0,2]=4 2415 B14R0.181 C#CCCCCSCCC(C)C(=O)OC 62a_100000034942_100010269958 [0,1,0,0,0,0|1,0,2]=4 2416 B14R0.181 C#CCCCCSCCC(C)C(=O)OC 62a_100010269958_100000034942 [0,1,0,0,0,0|1,0,2]=4 2417 B14R0.181 C=C(CSCCCCCC=O)C(=O)OC 62a_100000139337_100009813391 [0,1,0,0,0,0|2,0,1]=4 2418 B14R0.181 C=C(CSCCCCCC=O)C(=O)OC 62a_100009813391_100000139337 [0,1,0,0,0,0|2,0,1]=4 2419 B14R0.181 C=CCCC/C=C/COC(C)C(=O)OC 34a_200016268473_100000211248 [0,1,0,0,0,0|1,0,2]=4 2420 B14R0.181 C=CCCC/C=C/COC(C)C(=O)OC 7a_200016268473_100000211248 [0,1,0,0,0,0|1,0,2]=4 2421 B14R0.181 C=CCCCCCCCC(=O)/C(=C/C)/C 1458a_100020587367_100012355270 [0,1,0,0,0,0|2,0,1]=4 2422 B14R0.181 C=CCCCCCCCC(=O)C(=O)NC 1458a_100011218921_100012355270 [0,1,0,0,0,0|1,0,1]=3 2423 B14R0.181 C=CCCCCCCCC(=O)C(C)OC 1458a_100000743197_100012355270 [0,1,0,0,0,0|1,0,2]=4 2424 B14R0.181 C=CCCCCCCN[C@H](C)C(=O)NC 2230a_100000684985_100011215473 [0,1,0,0,0,0|2,0,0]=3 2425 B14R0.181 C=CCCCCCCN[C@H](C)C(=O)NC 34a_100000684985_100011215473 [0,1,0,0,0,0|2,0,0]=3 2426 B14R0.181 C=CCCCCCCOC(C)C(=O)CC 7a_200011216477_100000742827 [0,1,0,0,0,0|2,0,0]=3 2427 B14R0.181 C=CCCCCCCOC(C)C(=O)NC 34a_200011216477_100000731044 [0,1,0,0,0,0|2,0,0]=3 2428 B14R0.181 C=CCCCCCCOC(C)C(=O)NC 7a_200011216477_100000209862 [0,1,0,0,0,0|2,0,0]=3 2429 B14R0.181 C=CCCCCCCOC(C)C(=O)NN 34a_100000725659_100011215473 [0,1,0,0,0,0|3,0,0]=4 2430 B14R0.181 C=CCCCCCCOC(C)C(=O)OC 34a_100011215400_100011215473 [0,1,0,0,0,0|1,0,0]=2 2431 B14R0.181 C=CCCCCCCOC(C)C(=O)OC 34a_200011216477_100000211248 [0,1,0,0,0,0|1,0,0]=2 2432 B14R0.181 C=CCCCCCCOC(C)C(=O)OC 7a_200011216477_100000211248 [0,1,0,0,0,0|1,0,0]=2 2433 B14R0.181 C=CCCCCCCOC(F)C(=O)NC 34a_200011216477_100009813575 [0,1,0,0,0,0|2,0,0]=3 2434 B14R0.181 C=CCCCCCCOC(F)C(=O)NC 7a_200011216477_100009813575 [0,1,0,0,0,0|2,0,0]=3 2435 B14R0.181 C=CCCCCCCSC(C)C(=O)CC 62a_100000742827_100011215473 [0,1,0,0,0,0|2,0,0]=3 2436 B14R0.181 C=CCCCCCCSC(C)C(=O)CC 62a_100011215473_100000742827 [0,1,0,0,0,0|2,0,0]=3 2437 B14R0.181 C=CCCCCCCSC(C)C(=O)NC 62a_100000209862_100011215473 [0,1,0,0,0,0|2,0,0]=3 2438 B14R0.181 C=CCCCCCCSC(C)C(=O)NC 62a_100011215473_100000731044 [0,1,0,0,0,0|2,0,0]=3 2439 B14R0.181 C=CCCCCCCSC(C)C(=O)OC 62a_100000211248_100011215473 [0,1,0,0,0,0|1,0,0]=2 2440 B14R0.181 C=CCCCCCCSC(C)C(=O)OC 62a_100011215473_100000211248 [0,1,0,0,0,0|1,0,0]=2 2441 B14R0.181 C=CCCCCCCSC(F)C(=O)NC 62a_100009813575_100011215473 [0,1,0,0,0,0|2,0,0]=3 2442 B14R0.181 C=CCCCCCCSC(F)C(=O)NC 62a_100011215473_100009813575 [0,1,0,0,0,0|2,0,0]=3 2443 B14R0.181 C=CCCCCCNCC(C)C(=O)NC 2230a_100015187722_100000700193 [0,1,0,0,0,0|2,0,0]=3 2444 B14R0.181 C=CCCCCCNCC(C)C(=O)NC 34a_100015187722_100000700193 [0,1,0,0,0,0|2,0,0]=3 2445 B14R0.181 C=CCCCCCOCC(=C)C(=O)OC 34a_100011216702_100009813391 [0,1,0,0,0,0|1,0,1]=3 2446 B14R0.181 C=CCCCCCOCC(=O)C(=O)OC 34a_100011216702_100011610305 [0,1,0,0,0,0|1,0,1]=3 2447 B14R0.181 C=CCCCCCOCC(C)C(=O)OC 34a_100000749362_100000700193 [0,1,0,0,0,0|1,0,0]=2 2448 B14R0.181 C=CCCCCCOCC(C)C(=O)OC 34a_100011216702_100000698445 [0,1,0,0,0,0|1,0,0]=2 2449 B14R0.181 C=CCCCCCOCC(C)C(=O)OC 7a_100000749362_100000700193 [0,1,0,0,0,0|1,0,0]=2 2450 B14R0.181 C=CCCCCCOCC(F)C(=O)OC 34a_200009849844_100000700193 [0,1,0,0,0,0|1,0,0]=2 2451 B14R0.181 C=CCCCCCOCC(N)C(=O)NN 34a_100016989258_100000700193 [0,1,0,0,0,0|3,0,0]=4 2452 B14R0.181 C=CCCCCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000700193 [0,1,0,0,0,0|1,0,0]=2 2453 B14R0.181 C=CCCCCCSCC(=C)C(=O)OC 62a_100000700193_100009813391 [0,1,0,0,0,0|1,0,1]=3 2454 B14R0.181 C=CCCCCCSCC(=C)C(=O)OC 62a_100009813391_100000700193 [0,1,0,0,0,0|1,0,1]=3 2455 B14R0.181 C=CCCCCCSCC(=O)C(=O)OC 62a_100000700193_100011610305 [0,1,0,0,0,0|1,0,1]=3 2456 B14R0.181 C=CCCCCCSCC(=O)C(=O)OC 62a_100011610305_100000700193 [0,1,0,0,0,0|1,0,1]=3 2457 B14R0.181 C=CCCCCCSCC(C)C(=O)OC 62a_100000698445_100000700193 [0,1,0,0,0,0|1,0,0]=2 2458 B14R0.181 C=CCCCCCSCC(C)C(=O)OC 62a_100000700193_100000698445 [0,1,0,0,0,0|1,0,0]=2 2459 B14R0.181 C=CCCCCNCCC(C)C(=O)OC 2230a_100000703577_100000034942 [0,1,0,0,0,0|1,0,0]=2 2460 B14R0.181 C=CCCCCNCCC(C)C(=O)OC 34a_100000703577_100000034942 [0,1,0,0,0,0|1,0,0]=2 2461 B14R0.181 C=CCCCCOCCC(C)C(=O)OC 34a_100000766645_100000034942 [0,1,0,0,0,0|1,0,0]=2 2462 B14R0.181 C=CCCCCOCCC(C)C(=O)OC 7a_100000766645_100000034942 [0,1,0,0,0,0|1,0,0]=2 2463 B14R0.181 C=CCCCCSCCC(C)C(=O)OC 62a_100000034942_100011215482 [0,1,0,0,0,0|1,0,0]=2 2464 B14R0.181 C=CCCCCSCCC(C)C(=O)OC 62a_100011215482_100000034942 [0,1,0,0,0,0|1,0,0]=2 2465 B14R0.181 C=CCOCCOCCC(C)C(=O)OC 34a_100000037705_100000034942 [0,1,0,0,0,0|2,0,0]=3 2466 B14R0.181 C=CCOCCOCCC(C)C(=O)OC 7a_100000037705_100000034942 [0,1,0,0,0,0|2,0,0]=3 2467 B14R0.181 C=COCCCCOCC(=C)C(=O)OC 34a_100000031558_100009813391 [0,1,0,0,0,0|2,0,1]=4 2468 B14R0.181 C=COCCCCOCC(=O)C(=O)OC 34a_100000031558_100011610305 [0,1,0,0,0,0|2,0,1]=4 2469 B14R0.181 C=COCCCCOCC(C)C(=O)OC 34a_100000031558_100000698445 [0,1,0,0,0,0|2,0,0]=3 2470 B14R0.181 C=COCCCNCCC(C)C(=O)OC 2230a_100000210767_100000034942 [0,1,0,0,0,0|2,0,0]=3 2471 B14R0.181 C=COCCCNCCC(C)C(=O)OC 34a_100000210767_100000034942 [0,1,0,0,0,0|2,0,0]=3 2472 B14R0.181 C=COCCOCCOC(C)C(=O)OC 34a_100000039918_100000211248 [0,1,0,0,0,0|3,0,0]=4 2473 B14R0.181 C=COCCOCCOC(C)C(=O)OC 7a_100000039918_100000211248 [0,1,0,0,0,0|3,0,0]=4 2474 B14R0.181 CC=CCCCOCCC(C)C(=O)OC 34a_100020645299_100000034942 [0,1,0,0,0,0|1,0,2]=4 2475 B14R0.181 CCCCCCCCNC(C)C(=O)OC 2230a_100000229939_100000211248 [0,1,0,0,0,0|1,0,2]=4 2476 B14R0.181 CCCCCCCCNC(C)C(=O)OC 34a_100000229939_100000211248 [0,1,0,0,0,0|1,0,2]=4 2477 B14R0.181 CCCCCCCCOC(C)C(=O)OC 34a_100000210232_100000211248 [0,1,0,0,0,0|1,0,2]=4 2478 B14R0.181 CCCCCCCCOC(C)C(=O)OC 34a_100011215400_100000210759 [0,1,0,0,0,0|1,0,2]=4 2479 B14R0.181 CCCCCCCCOC(C)C(=O)OC 7a_100000210232_100000211248 [0,1,0,0,0,0|1,0,2]=4 2480 B14R0.181 CCCCCCCCSC(C)C(=O)OC 62a_100000210759_100000211248 [0,1,0,0,0,0|1,0,2]=4 2481 B14R0.181 CCCCCCCCSC(C)C(=O)OC 62a_100000211248_100000210317 [0,1,0,0,0,0|1,0,2]=4 2482 B14R0.181 CCCCCCCOCC(C)C(=O)OC 34a_100000210272_100000698445 [0,1,0,0,0,0|1,0,2]=4 2483 B14R0.181 CCCCCCCOCC(C)C(=O)OC 34a_100000749362_100000210614 [0,1,0,0,0,0|1,0,2]=4 2484 B14R0.181 CCCCCCCOCC(C)C(=O)OC 7a_100000749362_100000210614 [0,1,0,0,0,0|1,0,2]=4 2485 B14R0.181 CCCCCCCOCC(F)C(=O)OC 34a_200009849844_100000210614 [0,1,0,0,0,0|1,0,2]=4 2486 B14R0.181 CCCCCCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210614 [0,1,0,0,0,0|1,0,2]=4 2487 B14R0.181 CCCCCCCSCC(C)C(=O)OC 62a_100000210614_100000698445 [0,1,0,0,0,0|1,0,2]=4 2488 B14R0.181 CCCCCCCSCC(C)C(=O)OC 62a_100000698445_100000210316 [0,1,0,0,0,0|1,0,2]=4 2489 B14R0.181 CCCCCCNCCC(C)C(=O)OC 2230a_100000210581_100000034942 [0,1,0,0,0,0|1,0,2]=4 2490 B14R0.181 CCCCCCOCCC(C)C(=O)OC 34a_100000210259_100000034942 [0,1,0,0,0,0|1,0,2]=4 2491 B14R0.181 CCCCCCOCCC(C)C(=O)OC 7a_100000210259_100000034942 [0,1,0,0,0,0|1,0,2]=4 2492 B14R0.181 CCCCCCSCCC(C)C(=O)OC 62a_100000034942_100000210757 [0,1,0,0,0,0|1,0,2]=4 2493 B14R0.181 CCCCCCSCCC(C)C(=O)OC 62a_100000210314_100000034942 [0,1,0,0,0,0|1,0,2]=4 2494 B14R0.181 CNC(=O)C(C)CNCCCCCC=O 2230a_100015187722_100000139337 [0,1,0,0,0,0|3,0,0]=4 2495 B14R0.181 CNCCCCCOCC(C)C(=O)OC 34a_100000722520_100000698445 [0,1,0,0,0,0|2,0,1]=4 2496 B14R0.181 COC(=O)C(=O)CSCCCCCC=O 62a_100000139337_100011610305 [0,1,0,0,0,0|2,0,1]=4 2497 B14R0.181 COC(=O)C(=O)CSCCCCCC=O 62a_100011610305_100000139337 [0,1,0,0,0,0|2,0,1]=4 2498 B14R0.181 COC(=O)C(C)CCNCCCCCO 2230a_100000762737_100000034942 [0,1,0,0,0,0|2,0,1]=4 2499 B14R0.181 COC(=O)C(C)CCNCCCCCO 34a_100000762737_100000034942 [0,1,0,0,0,0|2,0,1]=4 2500 B14R0.181 COC(=O)C(C)CCOCCCCCBr 34a_100000746331_100000034942 [0,1,0,0,0,0|2,0,1]=4 2501 B14R0.181 COC(=O)C(C)CCOCCCCCBr 7a_100000746331_100000034942 [0,1,0,0,0,0|2,0,1]=4 2502 B14R0.181 COC(=O)C(C)CCOCCCCCCl 34a_100000746330_100000034942 [0,1,0,0,0,0|2,0,1]=4 2503 B14R0.181 COC(=O)C(C)CCOCCCCCCl 7a_100000746330_100000034942 [0,1,0,0,0,0|2,0,1]=4 2504 B14R0.181 COC(=O)C(C)CCOCCCCCI 34a_200012148887_100000034942 [0,1,0,0,0,0|2,0,1]=4 2505 B14R0.181 COC(=O)C(C)CCOCCCCCI 7a_200012148887_100000034942 [0,1,0,0,0,0|2,0,1]=4 2506 B14R0.181 COC(=O)C(C)CCOCCCCCN 34a_100000762737_100000034942 [0,1,0,0,0,0|2,0,1]=4 2507 B14R0.181 COC(=O)C(C)CCOCCCCSC 34a_100011217163_100000034942 [0,1,0,0,0,0|2,0,1]=4 2508 B14R0.181 COC(=O)C(C)CCOCCCCSC 7a_100011217163_100000034942 [0,1,0,0,0,0|2,0,1]=4 2509 B14R0.181 COC(=O)C(C)CCSCCCCC#N 62a_100000034942_100000211819 [0,1,0,0,0,0|2,0,1]=4 2510 B14R0.181 COC(=O)C(C)CCSCCCCC#N 62a_100011219923_100000034942 [0,1,0,0,0,0|2,0,1]=4 2511 B14R0.181 COC(=O)C(C)CCSCCCCC=O 62a_100000034942_100000139335 [0,1,0,0,0,0|2,0,0]=3 2512 B14R0.181 COC(=O)C(C)CCSCCCCC=O 62a_100000139335_100000034942 [0,1,0,0,0,0|2,0,0]=3 2513 B14R0.181 COC(=O)C(C)CCSCCCCCF 62a_100000034942_100000729378 [0,1,0,0,0,0|2,0,1]=4 2514 B14R0.181 COC(=O)C(C)CCSCCCCCF 62a_100000729378_100000034942 [0,1,0,0,0,0|2,0,1]=4 2515 B14R0.181 COC(=O)C(C)CCSCCCCCO 62a_100000034942_100000746330 [0,1,0,0,0,0|2,0,1]=4 2516 B14R0.181 COC(=O)C(C)CCSCCCCCO 62a_100000746330_100000034942 [0,1,0,0,0,0|2,0,1]=4 2517 B14R0.181 COC(=O)C(C)CNCCCCCCO 34a_100000686447_100000698445 [0,1,0,0,0,0|2,0,1]=4 2518 B14R0.181 COC(=O)C(C)COCCCCCC#N 7a_100000749362_100009813376 [0,1,0,0,0,0|2,0,1]=4 2519 B14R0.181 COC(=O)C(C)COCCCCCC=O 7a_100000749362_100000139337 [0,1,0,0,0,0|2,0,0]=3 2520 B14R0.181 COC(=O)C(C)COCCCCCCBr 34a_100011215345_100000698445 [0,1,0,0,0,0|2,0,1]=4 2521 B14R0.181 COC(=O)C(C)COCCCCCCCl 34a_100000766143_100000698445 [0,1,0,0,0,0|2,0,1]=4 2522 B14R0.181 COC(=O)C(C)COCCCCCCF 34a_100000732779_100000698445 [0,1,0,0,0,0|2,0,1]=4 2523 B14R0.181 COC(=O)C(C)COCCCCCCF 34a_100000749362_100015922095 [0,1,0,0,0,0|2,0,1]=4 2524 B14R0.181 COC(=O)C(C)COCCCCCCF 7a_100000749362_100015922095 [0,1,0,0,0,0|2,0,1]=4 2525 B14R0.181 COC(=O)C(C)COCCCCCCN 34a_100000686447_100000698445 [0,1,0,0,0,0|2,0,1]=4 2526 B14R0.181 COC(=O)C(C)COCCCCCCO 34a_100000749362_100000766143 [0,1,0,0,0,0|2,0,1]=4 2527 B14R0.181 COC(=O)C(C)COCCCCCCO 7a_100000749362_100000766143 [0,1,0,0,0,0|2,0,1]=4 2528 B14R0.181 COC(=O)C(C)CSCCCCCC#N 62a_100000698445_100009813376 [0,1,0,0,0,0|2,0,1]=4 2529 B14R0.181 COC(=O)C(C)CSCCCCCC#N 62a_100009813376_100000698445 [0,1,0,0,0,0|2,0,1]=4 2530 B14R0.181 COC(=O)C(C)CSCCCCCC=O 62a_100000139337_100000698445 [0,1,0,0,0,0|2,0,0]=3 2531 B14R0.181 COC(=O)C(C)CSCCCCCC=O 62a_100000698445_100000139337 [0,1,0,0,0,0|2,0,0]=3 2532 B14R0.181 COC(=O)C(C)CSCCCCCCF 62a_100000698445_100015922095 [0,1,0,0,0,0|2,0,1]=4 2533 B14R0.181 COC(=O)C(C)CSCCCCCCF 62a_100015922095_100000698445 [0,1,0,0,0,0|2,0,1]=4 2534 B14R0.181 COC(=O)C(C)CSCCCCCCO 62a_100000698445_100000766143 [0,1,0,0,0,0|2,0,1]=4 2535 B14R0.181 COC(=O)C(C)CSCCCCCCO 62a_100000766143_100000698445 [0,1,0,0,0,0|2,0,1]=4 2536 B14R0.181 COC(=O)C(C)NCCCCCCCO 2230a_100011996573_100000211248 [0,1,0,0,0,0|2,0,1]=4 2537 B14R0.181 COC(=O)C(C)NCCCCCCCO 34a_100011996573_100000211248 [0,1,0,0,0,0|2,0,1]=4 2538 B14R0.181 COC(=O)C(C)OCCCCCCCBr 34a_100000760002_100000211248 [0,1,0,0,0,0|2,0,1]=4 2539 B14R0.181 COC(=O)C(C)OCCCCCCCBr 7a_100000760002_100000211248 [0,1,0,0,0,0|2,0,1]=4 2540 B14R0.181 COC(=O)C(C)OCCCCCCCN 34a_100011996573_100000211248 [0,1,0,0,0,0|2,0,1]=4 2541 B14R0.181 COC(=O)C(C)OCCCCCCCO 34a_100011215400_100000760002 [0,1,0,0,0,0|2,0,1]=4 2542 B14R0.181 COC(=O)C(C)SCCCCCCC#N 62a_100000211248_100009813337 [0,1,0,0,0,0|2,0,1]=4 2543 B14R0.181 COC(=O)C(C)SCCCCCCC#N 62a_100009813337_100000211248 [0,1,0,0,0,0|2,0,1]=4 2544 B14R0.181 COC(=O)C(C)SCCCCCCCO 62a_100000211248_100000760002 [0,1,0,0,0,0|2,0,1]=4 2545 B14R0.181 COC(=O)C(C)SCCCCCCCO 62a_100000760002_100000211248 [0,1,0,0,0,0|2,0,1]=4 2546 B14R0.181 COC(=O)C(F)COCCCCCCF 34a_200009849844_100015922095 [0,1,0,0,0,0|2,0,1]=4 2547 B14R0.181 COC(=O)C(F)COCCCCCCO 34a_200009849844_100000766143 [0,1,0,0,0,0|2,0,1]=4 2548 B14R0.181 COC(=O)[C@H](N)COCCCCCCF 34a_100000003586_100015922095 [0,1,0,0,0,0|2,0,1]=4 2549 B14R0.181 COC(=O)[C@H](N)COCCCCCCO 34a_100000003586_100000766143 [0,1,0,0,0,0|2,0,1]=4 2550 B14R0.181 COCCCCCCOC(C)C(=O)OC 34a_100011215400_100011998445 [0,1,0,0,0,0|2,0,1]=4 2551 B14R0.181 COCCCCCCOC(C)C(=O)OC 34a_200012092642_100000211248 [0,1,0,0,0,0|2,0,1]=4 2552 B14R0.181 COCCCCCCOC(C)C(=O)OC 7a_200012092642_100000211248 [0,1,0,0,0,0|2,0,1]=4 2553 B14R0.181 COCCCCCCSC(C)C(=O)OC 62a_100000211248_100011998445 [0,1,0,0,0,0|2,0,1]=4 2554 B14R0.181 COCCCCCCSC(C)C(=O)OC 62a_100011998445_100000211248 [0,1,0,0,0,0|2,0,1]=4 2555 B14R0.181 COCCCCCNCC(C)C(=O)OC 34a_100000747528_100000698445 [0,1,0,0,0,0|2,0,1]=4 2556 B14R0.181 COCCCCOCCC(C)C(=O)OC 34a_100000740925_100000034942 [0,1,0,0,0,0|2,0,1]=4 2557 B14R0.181 COCCCCSCCC(C)C(=O)OC 62a_100000034942_100000730899 [0,1,0,0,0,0|2,0,1]=4 2558 B14R0.181 COCCCCSCCC(C)C(=O)OC 62a_100000730899_100000034942 [0,1,0,0,0,0|2,0,1]=4 2559 B14R0.197 C#CC(=O)CCCCCCCC(=O)OC 1458a_100000211873_100010004213 [0,1,0,0,0,0|0,0,3]=4 2560 B14R0.197 C#CC(C)NCCCCCCC(=O)OC 2230a_100000707721_100009815986 [0,1,0,0,0,0|1,0,2]=4 2561 B14R0.197 C#CC(C)NCCCCCCC(=O)OC 34a_100000707721_100009815986 [0,1,0,0,0,0|1,0,2]=4 2562 B14R0.197 C#CC(C)OCCCCCCC(=O)OC 34a_100009863599_200000035995 [0,1,0,0,0,0|1,0,2]=4 2563 B14R0.197 C#CC(C)SCCCCCCC(=O)OC 62a_200000035995_100009815986 [0,1,0,0,0,0|1,0,2]=4 2564 B14R0.197 C#CC(O)CCCCCSCC(=O)OC 62a_100000747449_200010408556 [0,1,0,0,0,0|1,0,2]=4 2565 B14R0.197 C#CC(O)CCCCCSCC(=O)OC 62a_200010408556_100000747449 [0,1,0,0,0,0|1,0,2]=4 2566 B14R0.197 C#C[C@@H](C)OCCCCCCC(=O)OC 34a_100009815206_100009815986 [0,1,0,0,0,0|1,0,2]=4 2567 B14R0.197 C#C[C@@H](C)OCCCCCCC(=O)OC 7a_100009815206_100009815986 [0,1,0,0,0,0|1,0,2]=4 2568 B14R0.197 C=CC(=O)CCCCCCCC(=O)OC 1458a_100000185746_100010004213 [0,1,0,0,0,0|0,0,1]=2 2569 B14R0.197 C=CC(=O)NCCCCOCC(=O)OC 34a_100014118770_100000747449 [0,1,0,0,0,0|2,0,1]=4 2570 B14R0.197 C=CC(=O)NCCNCCCC(=O)OC 2230a_114873766552_100011218270 [0,1,0,0,0,0|2,0,1]=4 2571 B14R0.197 C=CC(=O)NCCOCCCC(=O)OC 34a_100011304386_100000742333 [0,1,0,0,0,0|2,0,1]=4 2572 B14R0.197 C=CC(=O)OCCCCCCC(=O)CC 1458a_100000210414_100009894100 [0,1,0,0,0,0|2,0,1]=4 2573 B14R0.197 C=CC(=O)OCCSCCCC(=O)OC 62a_100009813456_100011218270 [0,1,0,0,0,0|2,0,1]=4 2574 B14R0.197 C=CC(=O)OCCSCCCC(=O)OC 62a_100011218270_100009813456 [0,1,0,0,0,0|2,0,1]=4 2575 B14R0.197 C=CC(C)COCCCCCC(=O)OC 34a_100011215527_100009816466 [0,1,0,0,0,0|1,0,0]=2 2576 B14R0.197 C=CC(C)COCCCCCC(=O)OC 7a_100011215527_100009816466 [0,1,0,0,0,0|1,0,0]=2 2577 B14R0.197 C=CC(C)OCCCCCCC(=O)OC 34a_100000695699_100009815986 [0,1,0,0,0,0|1,0,0]=2 2578 B14R0.197 C=CC(C)SCCCCCCC(=O)OC 62a_100011215867_100009815986 [0,1,0,0,0,0|1,0,0]=2 2579 B14R0.197 C=CC(O)COCCCCCC(=O)OC 34a_100000074720_100000730141 [0,1,0,0,0,0|1,0,0]=2 2580 B14R0.197 C=CC(O)COCCCCCC(=O)OC 7a_100000074720_100000730141 [0,1,0,0,0,0|1,0,0]=2 2581 B14R0.197 C=CC(O)CSCCCCCC(=O)OC 62a_100000730141_100009816466 [0,1,0,0,0,0|1,0,0]=2 2582 B14R0.197 C=CC(O)CSCCCCCC(=O)OC 62a_100009816466_100000730141 [0,1,0,0,0,0|1,0,0]=2 2583 B14R0.197 C=C[C@H](N)COCCCCCC(=O)OC 34a_100016989147_100009816466 [0,1,0,0,0,0|1,0,0]=2 2584 B14R0.197 CCC(=O)CCCCCCCC(=O)OC 1458a_100000033222_100000210202 [0,1,0,0,0,0|0,0,3]=4 2585 B14R0.197 CCC(=O)CCCCCCCC(=O)OC 1458a_100000210414_100010004213 [0,1,0,0,0,0|0,0,3]=4 2586 B14R0.197 CCC(C)CCCCCOCC(=O)OC 7a_200000035636_100000747449 [0,1,0,0,0,0|1,0,2]=4 2587 B14R0.197 CCC(C)CCCOCCCC(=O)OC 7a_100011216074_100011218270 [0,1,0,0,0,0|1,0,2]=4 2588 B14R0.197 CCC(C)CCNCCCCC(=O)OC 2230a_100020591266_100000204269 [0,1,0,0,0,0|1,0,2]=4 2589 B14R0.197 CCC(C)CCOCCCCC(=O)OC 7a_100011215188_100000204269 [0,1,0,0,0,0|1,0,2]=4 2590 B14R0.197 CCC(C)CNCCCCCC(=O)OC 2230a_100020588543_100009816466 [0,1,0,0,0,0|1,0,2]=4 2591 B14R0.197 CCC(C)COCCCCCC(=O)OC 34a_100000074720_100000748023 [0,1,0,0,0,0|1,0,2]=4 2592 B14R0.197 CCC(C)COCCCCCC(=O)OC 7a_100000074720_100000748023 [0,1,0,0,0,0|1,0,2]=4 2593 B14R0.197 CCC(C)CSCCCCCC(=O)OC 62a_100000748023_100009816466 [0,1,0,0,0,0|1,0,2]=4 2594 B14R0.197 CCC(C)CSCCCCCC(=O)OC 62a_100009816466_100000748023 [0,1,0,0,0,0|1,0,2]=4 2595 B14R0.197 CCC(C)NCCCCCCC(=O)OC 2230a_100000209981_100009815986 [0,1,0,0,0,0|1,0,2]=4 2596 B14R0.197 CCC(C)OCCCCCCC(=O)OC 34a_100009863599_100011215416 [0,1,0,0,0,0|1,0,2]=4 2597 B14R0.197 CCC(C)OCCCCCCC(=O)OC 7a_100000210228_100009815986 [0,1,0,0,0,0|1,0,2]=4 2598 B14R0.197 CCC(C)OCCCCCCC(=O)OC 7a_100009863599_100000758301 [0,1,0,0,0,0|1,0,2]=4 2599 B14R0.197 CCC(C)SCCCCCCC(=O)OC 62a_100000758301_100009815986 [0,1,0,0,0,0|1,0,2]=4 2600 B14R0.197 CCC(C)SCCCCCCC(=O)OC 62a_100009815986_100000758301 [0,1,0,0,0,0|1,0,2]=4 2601 B14R0.197 CCC(O)CNCCCCCC(=O)OC 2230a_100011218483_100009816466 [0,1,0,0,0,0|1,0,2]=4 2602 B14R0.197 CCC(O)COCCCCCC(=O)OC 34a_100000074720_100011218378 [0,1,0,0,0,0|1,0,2]=4 2603 B14R0.197 CCC(O)COCCCCCC(=O)OC 7a_100000074720_100011218378 [0,1,0,0,0,0|1,0,2]=4 2604 B14R0.197 CCC(O)CSCCCCCC(=O)OC 62a_100009816466_100011218378 [0,1,0,0,0,0|1,0,2]=4 2605 B14R0.197 CCC(O)CSCCCCCC(=O)OC 62a_100011218378_100009816466 [0,1,0,0,0,0|1,0,2]=4 2606 B14R0.197 CCN(C)CCCCCCCC(=O)OC 2230a_100000225621_100010004213 [0,1,0,0,0,0|1,0,2]=4 2607 B14R0.197 CCN(C)CCCCCCCC(=O)OC 269982a_100000225621_100010004213 [0,1,0,0,0,0|1,0,2]=4 2608 B14R0.197 CC[C@H](C)COCCCCCC(=O)OC 34a_100000074720_100009816398 [0,1,0,0,0,0|1,0,2]=4 2609 B14R0.197 CC[C@H](C)COCCCCCC(=O)OC 7a_100000074720_100009816398 [0,1,0,0,0,0|1,0,2]=4 2610 B14R0.197 CC[C@H](C)COCCCCCC(=O)OC 7a_100009816381_100009816466 [0,1,0,0,0,0|1,0,2]=4 2611 B14R0.197 CC[C@H](C)CSCCCCCC(=O)OC 62a_100009816398_100009816466 [0,1,0,0,0,0|1,0,2]=4 2612 B14R0.197 CC[C@H](C)CSCCCCCC(=O)OC 62a_100009816466_100009816398 [0,1,0,0,0,0|1,0,2]=4 2613 B14R0.197 CNC(=O)CCCCCCCC(=O)OC 11a_106832991635_100000033222 [0,1,0,0,0,0|1,0,2]=4 2614 B14R0.197 CNC(=O)CCCCCCCC(=O)OC 1626a_100102657272_100000033222 [0,1,0,0,0,0|1,0,2]=4 2615 B14R0.197 CNC(=O)CCCCCCCC(=O)OC 240690a_100102657272_100000033222 [0,1,0,0,0,0|1,0,2]=4 2616 B14R0.197 COC(=O)CCCCCCCC(=O)CF 1458a_100000033222_100015361967 [0,1,0,0,0,0|1,0,2]=4 2617 B14R0.197 COC(=O)CCCCCCCC(=O)CO 1458a_100000210174_100010004213 [0,1,0,0,0,0|1,0,2]=4 2618 B14R0.197 COC(=O)CCCCCCNC(C)C#N 2230a_100000737613_100009815986 [0,1,0,0,0,0|2,0,1]=4 2619 B14R0.197 COC(=O)CCCCCCN[C@H](C)CO 2230a_100000737577_100009815986 [0,1,0,0,0,0|2,0,1]=4 2620 B14R0.197 COC(=O)CCCCCCOC(C)C#N 34a_100011218135_100009815986 [0,1,0,0,0,0|2,0,1]=4 2621 B14R0.197 COC(=O)CCCCCCOC(C)C#N 7a_100009863599_100000703298 [0,1,0,0,0,0|2,0,1]=4 2622 B14R0.197 COC(=O)CCCCCCOC(C)CF 34a_100016041109_100009815986 [0,1,0,0,0,0|2,0,1]=4 2623 B14R0.197 COC(=O)CCCCCCOC(C)CF 7a_100016041109_100009815986 [0,1,0,0,0,0|2,0,1]=4 2624 B14R0.197 COC(=O)CCCCCCOC(C)CN 34a_100000210904_100009815986 [0,1,0,0,0,0|2,0,1]=4 2625 B14R0.197 COC(=O)CCCCCCOC(C)CO 34a_100009863599_100012180447 [0,1,0,0,0,0|2,0,1]=4 2626 B14R0.197 COC(=O)CCCCCCOC(C)CO 7a_100009863599_100012180447 [0,1,0,0,0,0|2,0,1]=4 2627 B14R0.197 COC(=O)CCCCCCSC(C)C#N 62a_100000703298_100009815986 [0,1,0,0,0,0|2,0,1]=4 2628 B14R0.197 COC(=O)CCCCCCSC(C)C#N 62a_100009815986_100000703298 [0,1,0,0,0,0|2,0,1]=4 2629 B14R0.197 COC(=O)CCCCCCSC(C)CO 62a_100012180447_100009815986 [0,1,0,0,0,0|2,0,1]=4 2630 B14R0.197 COC(=O)CCCCCCSC(C)OC 62a_100009815986_100009879195 [0,1,0,0,0,0|2,0,1]=4 2631 B14R0.197 COC(=O)CCCCCCSC(C)OC 62a_100009879195_100009815986 [0,1,0,0,0,0|2,0,1]=4 2632 B14R0.197 COC(=O)CCCCCCSC(F)C#N 62a_100009815986_200000117898 [0,1,0,0,0,0|2,0,1]=4 2633 B14R0.197 COC(=O)CCCCCCSC(F)C#N 62a_200000117898_100009815986 [0,1,0,0,0,0|2,0,1]=4 2634 B14R0.197 COC(=O)CCCCCCS[C@H](C)CO 62a_100009815986_100016084084 [0,1,0,0,0,0|2,0,1]=4 2635 B14R0.197 COC(=O)CCCCCCS[C@H](C)CO 62a_100016084084_100009815986 [0,1,0,0,0,0|2,0,1]=4 2636 B14R0.197 COC(=O)CCCCCNCC(C)CO 34a_100000744482_100009816466 [0,1,0,0,0,0|2,0,1]=4 2637 B14R0.197 COC(=O)CCCCCNC[C@@H](C)OC 2230a_100020591295_100009816466 [0,1,0,0,0,0|2,0,1]=4 2638 B14R0.197 COC(=O)CCCCCNC[C@@H](F)CO 34a_100015665980_100009816466 [0,1,0,0,0,0|2,0,1]=4 2639 B14R0.197 COC(=O)CCCCCNC[C@H](O)CO 2230a_100020644852_100009816466 [0,1,0,0,0,0|2,0,1]=4 2640 B14R0.197 COC(=O)CCCCCOCC(C)CN 34a_100000744482_100009816466 [0,1,0,0,0,0|2,0,1]=4 2641 B14R0.197 COC(=O)CCCCCOCC(C)OC 34a_100000690652_100009816466 [0,1,0,0,0,0|2,0,1]=4 2642 B14R0.197 COC(=O)CCCCCOCC(Cl)CCl 34a_100000033668_100009816466 [0,1,0,0,0,0|2,0,1]=4 2643 B14R0.197 COC(=O)CCCCCOCC(O)CO 34a_100000074720_100011219619 [0,1,0,0,0,0|2,0,1]=4 2644 B14R0.197 COC(=O)CCCCCOCC(O)CO 7a_100000074720_100011219619 [0,1,0,0,0,0|2,0,1]=4 2645 B14R0.197 COC(=O)CCCCCOC[C@@H](C)CO 34a_100000074720_100000059175 [0,1,0,0,0,0|2,0,1]=4 2646 B14R0.197 COC(=O)CCCCCOC[C@@H](C)CO 7a_100000074720_100000059175 [0,1,0,0,0,0|2,0,1]=4 2647 B14R0.197 COC(=O)CCCCCOC[C@@H](O)CF 34a_100000074720_100015614560 [0,1,0,0,0,0|2,0,1]=4 2648 B14R0.197 COC(=O)CCCCCOC[C@@H](O)CF 7a_100000074720_100015614560 [0,1,0,0,0,0|2,0,1]=4 2649 B14R0.197 COC(=O)CCCCCOC[C@@H](O)CO 34a_100000074720_100009815848 [0,1,0,0,0,0|2,0,1]=4 2650 B14R0.197 COC(=O)CCCCCOC[C@@H](O)CO 7a_100000074720_100009815848 [0,1,0,0,0,0|2,0,1]=4 2651 B14R0.197 COC(=O)CCCCCOC[C@H](F)CN 34a_100015665980_100009816466 [0,1,0,0,0,0|2,0,1]=4 2652 B14R0.197 COC(=O)CCCCCSCC(O)CO 62a_100009816466_100011219619 [0,1,0,0,0,0|2,0,1]=4 2653 B14R0.197 COC(=O)CCCCCSCC(O)CO 62a_100011219619_100009816466 [0,1,0,0,0,0|2,0,1]=4 2654 B14R0.197 COC(=O)CCCCCSC[C@@H](C)CO 62a_100000059175_100009816466 [0,1,0,0,0,0|2,0,1]=4 2655 B14R0.197 COC(=O)CCCCCSC[C@@H](C)CO 62a_100009816466_100000059175 [0,1,0,0,0,0|2,0,1]=4 2656 B14R0.197 COC(=O)CCCCCSC[C@@H](O)CF 62a_100009816466_100015614560 [0,1,0,0,0,0|2,0,1]=4 2657 B14R0.197 COC(=O)CCCCCSC[C@@H](O)CF 62a_100015614560_100009816466 [0,1,0,0,0,0|2,0,1]=4 2658 B14R0.197 COC(=O)CCCCCSC[C@@H](O)CO 62a_100009815848_100009816466 [0,1,0,0,0,0|2,0,1]=4 2659 B14R0.197 COC(=O)CCCCCSC[C@@H](O)CO 62a_100009816466_100009815848 [0,1,0,0,0,0|2,0,1]=4 2660 B14R0.197 COC(=O)CCCCNCCC(C)CO 2230a_106354213184_100000204269 [0,1,0,0,0,0|2,0,1]=4 2661 B14R0.197 COC(=O)CCCCNCCC(C)CO 34a_106354213184_100000204269 [0,1,0,0,0,0|2,0,1]=4 2662 B14R0.197 COC(=O)CCCCOCCC(C)OC 7a_100000764861_100000204269 [0,1,0,0,0,0|2,0,1]=4 2663 B14R0.197 COC(=O)CCCOCCC[C@@H](C)CN 34a_100160569302_100000742333 [0,1,0,0,0,0|2,0,1]=4 2664 B14R0.226 C#CCCCC(=O)CCCCC(=O)OC 1458a_100000690238_100000204269 [0,1,0,0,0,0|0,0,3]=4 2665 B14R0.226 C#CCCCC(=O)CCCCC(=O)OC 1458a_100000695723_100000731252 [0,1,0,0,0,0|0,0,3]=4 2666 B14R0.226 C=CCCCC(=O)CCCCC(=O)OC 1458a_100000695723_100000757094 [0,1,0,0,0,0|0,0,1]=2 2667 B14R0.226 C=CCCCC(=O)CCCCC(=O)OC 1458a_100000766728_100000204269 [0,1,0,0,0,0|0,0,1]=2 2668 B14R0.226 C=CCCCC(=O)CCCNC(=O)OC 1458a_100000753017_100000757094 [0,1,0,0,0,0|1,0,1]=3 2669 B14R0.226 C=CCCCC(=O)CCOCC(=O)OC 1458a_100000766728_100000090808 [0,1,0,0,0,0|1,0,1]=3 2670 B14R0.226 C=CCCCC(=O)NCCCC(=O)NC 11a_100000740002_100000766728 [0,1,0,0,0,0|2,0,1]=4 2671 B14R0.226 C=CCCCC(=O)NCCCC(=O)NC 240690a_100000740002_100000766728 [0,1,0,0,0,0|2,0,1]=4 2672 B14R0.226 C=CCCCC(=O)NCCCC(=O)NC 527a_100000740002_100000766728 [0,1,0,0,0,0|2,0,1]=4 2673 B14R0.226 C=CCCCC(=O)NCCCC(=O)OC 188690a_100000184769_100000766728 [0,1,0,0,0,0|1,0,1]=3 2674 B14R0.226 C=CCCNC(=O)CCCCC(=O)OC 11a_100015191253_100000695723 [0,1,0,0,0,0|1,0,1]=3 2675 B14R0.226 C=CCCNC(=O)CCCCC(=O)OC 1626a_100015191253_100000695723 [0,1,0,0,0,0|1,0,1]=3 2676 B14R0.226 C=CCCNC(=O)CCCCC(=O)OC 240690a_100015191253_100000695723 [0,1,0,0,0,0|1,0,1]=3 2677 B14R0.226 C=CCCNC(=O)CCCCC(=O)OC 527a_100015191253_100000695723 [0,1,0,0,0,0|1,0,1]=3 2678 B14R0.226 C=CCCNC(=O)CCCNC(=O)OC 11a_100015191253_100000753017 [0,1,0,0,0,0|2,0,1]=4 2679 B14R0.226 C=CCCNC(=O)CCCNC(=O)OC 1626a_100015191253_100000753017 [0,1,0,0,0,0|2,0,1]=4 2680 B14R0.226 C=CCCNC(=O)CCCNC(=O)OC 240690a_100015191253_100000753017 [0,1,0,0,0,0|2,0,1]=4 2681 B14R0.226 C=CCCNC(=O)CCCNC(=O)OC 527a_100015191253_100000753017 [0,1,0,0,0,0|2,0,1]=4 2682 B14R0.226 C=CCNCC(=O)NCCCC(=O)OC 2230a_100020586998_100000230218 [0,1,0,0,0,0|2,0,1]=4 2683 B14R0.226 C=CCNNC(=O)CCCCC(=O)OC 22a_100020588587_100000695723 [0,1,0,0,0,0|2,0,1]=4 2684 B14R0.226 C=CCOCC(=O)NCCCC(=O)OC 34a_200000210373_100000230218 [0,1,0,0,0,0|2,0,1]=4 2685 B14R0.226 C=CCSCC(=O)CCCCC(=O)OC 1458a_100000230395_100000204269 [0,1,0,0,0,0|1,0,1]=3 2686 B14R0.226 C=CCSCC(=O)CCOCC(=O)OC 1458a_100000230395_100000090808 [0,1,0,0,0,0|2,0,1]=4 2687 B14R0.226 C=CCSCC(=O)NCCCC(=O)OC 188690a_100000184769_100000230395 [0,1,0,0,0,0|2,0,1]=4 2688 B14R0.226 C=CCSCC(=O)NCCCC(=O)OC 62a_100000210623_100000230218 [0,1,0,0,0,0|2,0,1]=4 2689 B14R0.226 C=CCSCC(=O)NCCCC(=O)OC 62a_100000230218_100000210623 [0,1,0,0,0,0|2,0,1]=4 2690 B14R0.226 C=COCCC(=O)CCCCC(=O)OC 1458a_100000695723_100000039644 [0,1,0,0,0,0|1,0,1]=3 2691 B14R0.226 C=COCCC(=O)CCCNC(=O)OC 1458a_100000753017_100000039644 [0,1,0,0,0,0|2,0,1]=4 2692 B14R0.226 CCCCCC(=O)CCCCC(=O)OC 1458a_100000212188_100000204269 [0,1,0,0,0,0|0,0,3]=4 2693 B14R0.226 CCCCCC(=O)CCCCC(=O)OC 1458a_100000695723_100000210326 [0,1,0,0,0,0|0,0,3]=4 2694 B14R0.226 CCCCCC(C)NCCCC(=O)OC 2230a_100000211957_100011218270 [0,1,0,0,0,0|1,0,2]=4 2695 B14R0.226 CCCCCC(C)OCCCC(=O)OC 34a_100011215632_100000742333 [0,1,0,0,0,0|1,0,2]=4 2696 B14R0.226 CCCCCC(C)OCCCC(=O)OC 7a_100011215632_100011218270 [0,1,0,0,0,0|1,0,2]=4 2697 B14R0.226 CCCCCC(C)SCCCC(=O)OC 62a_100011218270_200011218191 [0,1,0,0,0,0|1,0,2]=4 2698 B14R0.226 CCCCCC(C)SCCCC(=O)OC 62a_200011218191_100011218270 [0,1,0,0,0,0|1,0,2]=4 2699 B14R0.226 CCCCCN(C)CCCCC(=O)OC 2230a_100000223495_100000204269 [0,1,0,0,0,0|1,0,2]=4 2700 B14R0.226 CCCCCN(C)CCCCC(=O)OC 269982a_100000223495_100000204269 [0,1,0,0,0,0|1,0,2]=4 2701 B14R0.226 COC(=O)CCCCC(=O)CCCC#N 1458a_100000075515_100000204269 [0,1,0,0,0,0|1,0,2]=4 2702 B14R0.226 COC(=O)CCCCC(=O)CCCC#N 1458a_100000695723_100000211468 [0,1,0,0,0,0|1,0,2]=4 2703 B14R0.226 COC(=O)CCCCC(=O)CCCCF 1458a_100000695723_100000729493 [0,1,0,0,0,0|1,0,2]=4 2704 B14R0.226 COC(=O)CCCCC(=O)CCCCO 1458a_100000695505_100000204269 [0,1,0,0,0,0|1,0,2]=4 2705 B14R0.226 COC(=O)CCCCC(=O)CCCCO 1458a_100000695723_100000210776 [0,1,0,0,0,0|1,0,2]=4 2706 B14R0.226 COC(=O)CCCCC(=O)CCCSC 1458a_100000173376_100000204269 [0,1,0,0,0,0|1,0,2]=4 2707 B14R0.226 COC(=O)CCCCN(C)CCCCO 2230a_100000717598_100000204269 [0,1,0,0,0,0|2,0,1]=4 2708 B14R0.226 COC(=O)CCCCN(C)CCCCO 269982a_100000717598_100000204269 [0,1,0,0,0,0|2,0,1]=4 2709 B14R0.226 COC(=O)CCOC[C@@H](N)CCCCN 34a_100016993712_100000742370 [0,1,0,0,0,0|2,0,1]=4 2710 B14R0.226 COCCCC(=O)CCCCC(=O)OC 1458a_100000695723_100000740836 [0,1,0,0,0,0|1,0,2]=4 2711 B14R0.226 COCCCC(=O)CCCCC(=O)OC 1458a_100000741012_100000204269 [0,1,0,0,0,0|1,0,2]=4 2712 B14R0.226 COCCCC(C)OCCCC(=O)OC 34a_200011539412_100000742333 [0,1,0,0,0,0|2,0,1]=4 2713 B14R0.226 COCCCC(C)OCCCC(=O)OC 7a_200011539412_100011218270 [0,1,0,0,0,0|2,0,1]=4 2714 B14R0.226 COCCCN(C)CCCCC(=O)OC 2230a_100000224831_100000204269 [0,1,0,0,0,0|2,0,1]=4 2715 B14R0.226 COCCCN(C)CCCCC(=O)OC 269982a_100000224831_100000204269 [0,1,0,0,0,0|2,0,1]=4 2716 B14R0.305 C=C(Br)CCOCCCCCC(=O)OC 34a_100009813270_100009816466 [0,1,0,0,0,0|1,0,0]=2 2717 B14R0.305 C=C(C)CCOCCCCCC(=O)OC 34a_100000074720_100000730704 [0,1,0,0,0,0|1,0,0]=2 2718 B14R0.305 C=C(C)CCOCCCCCC(=O)OC 34a_100000764851_100009816466 [0,1,0,0,0,0|1,0,0]=2 2719 B14R0.305 C=C(C)CCOCCCCCC(=O)OC 7a_100000074720_100000730704 [0,1,0,0,0,0|1,0,0]=2 2720 B14R0.305 C=C(C)CCSCCCCCC(=O)OC 62a_100000730704_100009816466 [0,1,0,0,0,0|1,0,0]=2 2721 B14R0.305 C=C(C)CCSCCCCCC(=O)OC 62a_100009816466_100000730704 [0,1,0,0,0,0|1,0,0]=2 2722 B14R0.305 C=C(C)COCCCCCCC(=O)OC 34a_100000210245_100009815986 [0,1,0,0,0,0|1,0,0]=2 2723 B14R0.305 C=C(C)COCCCCCCC(=O)OC 34a_100009863599_100000748629 [0,1,0,0,0,0|1,0,0]=2 2724 B14R0.305 C=C(C)COCCCCCCC(=O)OC 7a_100009863599_100000748629 [0,1,0,0,0,0|1,0,0]=2 2725 B14R0.305 C=C(C)CSCCCCCCC(=O)OC 62a_100000748629_100009815986 [0,1,0,0,0,0|1,0,0]=2 2726 B14R0.305 C=C(C)CSCCCCCCC(=O)OC 62a_100009815986_100000211660 [0,1,0,0,0,0|1,0,0]=2 2727 B14R0.305 C=C(F)COCCCCCCC(=O)OC 34a_100009863599_100009893438 [0,1,0,0,0,0|1,0,0]=2 2728 B14R0.305 C=C(F)COCCCCCCC(=O)OC 34a_200010262243_100009815986 [0,1,0,0,0,0|1,0,0]=2 2729 B14R0.305 C=C(F)COCCCCCCC(=O)OC 7a_100009863599_100000042424 [0,1,0,0,0,0|1,0,0]=2 2730 B14R0.305 C=C(F)CSCCCCCCC(=O)OC 62a_100000042424_100009815986 [0,1,0,0,0,0|1,0,0]=2 2731 B14R0.305 C=C(F)CSCCCCCCC(=O)OC 62a_100009815986_100000042424 [0,1,0,0,0,0|1,0,0]=2 2732 B14R0.305 CNC(=O)CCCNCCCCC(=O)C 34a_100000740002_100009817362 [0,1,0,0,0,0|2,0,1]=4 2733 B14R0.305 CNC(=O)CCCNCCCCC(=O)N 34a_100000696515_100000741757 [0,1,0,0,0,0|3,0,0]=4 2734 B14R0.305 CNC(=O)CCCOCCCCC(=O)N 34a_100012022536_100000741757 [0,1,0,0,0,0|3,0,0]=4 2735 B14R0.305 CNC(=O)CCCOCCCCC(=O)N 7a_100012022536_100000741757 [0,1,0,0,0,0|3,0,0]=4 2736 B14R0.305 CNC(=O)CCCSCCCCC(=O)C 62a_100000735457_100000741757 [0,1,0,0,0,0|2,0,1]=4 2737 B14R0.305 CNC(=O)CCCSCCCCC(=O)C 62a_100000741757_100000735457 [0,1,0,0,0,0|2,0,1]=4 2738 B14R0.305 CNC(=O)CCNCCCCCC(=O)N 2230a_100000738227_100009817443 [0,1,0,0,0,0|3,0,0]=4 2739 B14R0.305 CNC(=O)CCNCCCCCC(=O)N 34a_100000738227_100009817443 [0,1,0,0,0,0|3,0,0]=4 2740 B14R0.305 CNC(=O)CCOCCCCCC(=O)N 34a_100000123541_100012179268 [0,1,0,0,0,0|3,0,0]=4 2741 B14R0.305 CNC(=O)CCOCCCCCC(=O)N 34a_100000754576_100009817443 [0,1,0,0,0,0|3,0,0]=4 2742 B14R0.305 CNC(=O)CCOCCCCCC(=O)N 7a_100000123541_100000737683 [0,1,0,0,0,0|3,0,0]=4 2743 B14R0.305 CNC(=O)CCOCCCCCC(=O)[O-] 7a_100102619762_100000737683 [0,1,0,0,0,0|3,0,0]=4 2744 B14R0.305 CNC(=O)CCSCCCCCC(=O)N 62a_100000737683_100009817443 [0,1,0,0,0,0|3,0,0]=4 2745 B14R0.305 CNC(=O)CCSCCCCCC(=O)N 62a_100009817443_100000737683 [0,1,0,0,0,0|3,0,0]=4 2746 B14R0.305 COC(=O)CCCCCCCCC(=O)C 1458a_100000036616_200000210301 [0,1,0,0,0,0|0,0,1]=2 2747 B14R0.305 COC(=O)CCCCCCCCC(=O)C 1458a_100000070787_100010282707 [0,1,0,0,0,0|0,0,1]=2 2748 B14R0.305 COC(=O)CCCCCCCCC(=O)[13CH3] 1458a_100000036616_200025704644 [0,1,0,0,0,0|0,0,1]=2 2749 B14R0.305 COC(=O)CCCCCCCCN(C)C 2230a_100102631434_100010282707 [0,1,0,0,0,0|1,0,1]=3 2750 B14R0.305 COC(=O)CCCCCCCCN(C)C 269982a_100102631434_100010282707 [0,1,0,0,0,0|1,0,1]=3 2751 B14R0.305 COC(=O)CCCCCCCNC(=O)C 188690a_100000687944_100015343762 [0,1,0,0,0,0|1,0,1]=3 2752 B14R0.305 COC(=O)CCCCCCCNC(C)C 2230a_100138425928_100010004213 [0,1,0,0,0,0|1,0,2]=4 2753 B14R0.305 COC(=O)CCCCCCCNC(C)C 34a_100138425928_100010004213 [0,1,0,0,0,0|1,0,2]=4 2754 B14R0.305 COC(=O)CCCCCCCOC(C)C 34a_100000212225_100010004213 [0,1,0,0,0,0|1,0,2]=4 2755 B14R0.305 COC(=O)CCCCCCCOC(C)C 34a_100011022521_100000210206 [0,1,0,0,0,0|1,0,2]=4 2756 B14R0.305 COC(=O)CCCCCCCOC(C)C 7a_100011022521_100000210206 [0,1,0,0,0,0|1,0,2]=4 2757 B14R0.305 COC(=O)CCCCCCCSC(C)C 62a_100000210206_100010004213 [0,1,0,0,0,0|1,0,2]=4 2758 B14R0.305 COC(=O)CCCCCCCSC(C)C 62a_100010004213_100000210206 [0,1,0,0,0,0|1,0,2]=4 2759 B14R0.305 COC(=O)CCCCCCNCC(=O)N 2230a_100000711301_100009815986 [0,1,0,0,0,0|2,0,0]=3 2760 B14R0.305 COC(=O)CCCCCCNCC(=O)O 269956a_100016091260_100009815986 [0,1,0,0,0,0|2,0,0]=3 2761 B14R0.305 COC(=O)CCCCCCNCC(C)C 2230a_100000210953_100009815986 [0,1,0,0,0,0|1,0,2]=4 2762 B14R0.305 COC(=O)CCCCCCNCC(C)C 34a_100000210953_100009815986 [0,1,0,0,0,0|1,0,2]=4 2763 B14R0.305 COC(=O)CCCCCCNCC(C)O 2230a_100000210904_100009815986 [0,1,0,0,0,0|1,0,2]=4 2764 B14R0.305 COC(=O)CCCCCCNCC(C)O 34a_100000210904_100009815986 [0,1,0,0,0,0|1,0,2]=4 2765 B14R0.305 COC(=O)CCCCCCNCC(F)F 34a_100000765723_100009815986 [0,1,0,0,0,0|2,0,1]=4 2766 B14R0.305 COC(=O)CCCCCCOCC(=O)C 34a_100000211253_100009815986 [0,1,0,0,0,0|1,0,1]=3 2767 B14R0.305 COC(=O)CCCCCCOCC(=O)N 34a_100009863599_100000187820 [0,1,0,0,0,0|2,0,0]=3 2768 B14R0.305 COC(=O)CCCCCCOCC(=O)N 7a_100009863599_100000187820 [0,1,0,0,0,0|2,0,0]=3 2769 B14R0.305 COC(=O)CCCCCCOCC(=O)[O-] 34a_100009863599_100020667443 [0,1,0,0,0,0|2,0,0]=3 2770 B14R0.305 COC(=O)CCCCCCOCC(C)Br 34a_100012180447_100009815986 [0,1,0,0,0,0|1,0,2]=4 2771 B14R0.305 COC(=O)CCCCCCOCC(C)C 34a_100000210257_100009815986 [0,1,0,0,0,0|1,0,2]=4 2772 B14R0.305 COC(=O)CCCCCCOCC(C)C 34a_100009863599_100000210624 [0,1,0,0,0,0|1,0,2]=4 2773 B14R0.305 COC(=O)CCCCCCOCC(C)C 7a_100009863599_100000210760 [0,1,0,0,0,0|1,0,2]=4 2774 B14R0.305 COC(=O)CCCCCCOCC(C)F 34a_100015925927_100009815986 [0,1,0,0,0,0|1,0,2]=4 2775 B14R0.305 COC(=O)CCCCCCOCC(C)O 34a_100009863599_100011218427 [0,1,0,0,0,0|1,0,2]=4 2776 B14R0.305 COC(=O)CCCCCCOCC(C)O 7a_100009863599_100011218427 [0,1,0,0,0,0|1,0,2]=4 2777 B14R0.305 COC(=O)CCCCCCOCC(F)F 34a_100000743014_100009815986 [0,1,0,0,0,0|2,0,1]=4 2778 B14R0.305 COC(=O)CCCCCCOCC(F)F 34a_100009863599_100011934356 [0,1,0,0,0,0|2,0,1]=4 2779 B14R0.305 COC(=O)CCCCCCOCC(F)F 7a_100009863599_100011934356 [0,1,0,0,0,0|2,0,1]=4 2780 B14R0.305 COC(=O)CCCCCCOC[C@@H](C)Cl 34a_100016084084_100009815986 [0,1,0,0,0,0|1,0,2]=4 2781 B14R0.305 COC(=O)CCCCCCOC[C@@H](C)N 34a_100000737577_100009815986 [0,1,0,0,0,0|1,0,2]=4 2782 B14R0.305 COC(=O)CCCCCCOC[C@@H](C)O 34a_100009863599_100009817552 [0,1,0,0,0,0|1,0,2]=4 2783 B14R0.305 COC(=O)CCCCCCOC[C@@H](C)O 7a_100009863599_100009817552 [0,1,0,0,0,0|1,0,2]=4 2784 B14R0.305 COC(=O)CCCCCCOC[N+](=O)[O-] 34a_100009863599_100000761209 [0,1,0,0,0,0|3,0,0]=4 2785 B14R0.305 COC(=O)CCCCCCSCC(=O)N 62a_100000747473_100009815986 [0,1,0,0,0,0|2,0,0]=3 2786 B14R0.305 COC(=O)CCCCCCSCC(=O)N 62a_100009815986_100000747473 [0,1,0,0,0,0|2,0,0]=3 2787 B14R0.305 COC(=O)CCCCCCSCC(=O)[O-] 62a_100009815986_100020667443 [0,1,0,0,0,0|2,0,0]=3 2788 B14R0.305 COC(=O)CCCCCCSCC(=O)[O-] 62a_100020667443_100009815986 [0,1,0,0,0,0|2,0,0]=3 2789 B14R0.305 COC(=O)CCCCCCSCC(C)C 62a_100000210624_100009815986 [0,1,0,0,0,0|1,0,2]=4 2790 B14R0.305 COC(=O)CCCCCCSCC(C)C 62a_100009815986_100000210760 [0,1,0,0,0,0|1,0,2]=4 2791 B14R0.305 COC(=O)CCCCCCSCC(C)O 62a_100009815986_100011218427 [0,1,0,0,0,0|1,0,2]=4 2792 B14R0.305 COC(=O)CCCCCCSCC(C)O 62a_100011218427_100009815986 [0,1,0,0,0,0|1,0,2]=4 2793 B14R0.305 COC(=O)CCCCCCSCC(F)F 62a_100009815986_100011934356 [0,1,0,0,0,0|2,0,1]=4 2794 B14R0.305 COC(=O)CCCCCCSCC(F)F 62a_100011934356_100009815986 [0,1,0,0,0,0|2,0,1]=4 2795 B14R0.305 COC(=O)CCCCCCSC[C@@H](C)O 62a_100009815986_100009817552 [0,1,0,0,0,0|1,0,2]=4 2796 B14R0.305 COC(=O)CCCCCCSC[C@@H](C)O 62a_100009817552_100009815986 [0,1,0,0,0,0|1,0,2]=4 2797 B14R0.305 COC(=O)CCCCCCSC[N+](=O)[O-] 62a_100009815986_100000761209 [0,1,0,0,0,0|3,0,0]=4 2798 B14R0.305 COC(=O)CCCCCNCC=C(C)C 34a_100000718196_100009816466 [0,1,0,0,0,0|1,0,2]=4 2799 B14R0.305 COC(=O)CCCCCNCCC(C)O 2230a_200000755665_100009816466 [0,1,0,0,0,0|1,0,2]=4 2800 B14R0.305 COC(=O)CCCCCNOCC(=O)O 269956a_100000106656_100009816466 [0,1,0,0,0,0|3,0,0]=4 2801 B14R0.305 COC(=O)CCCCCOCC=C(C)C 34a_100000074720_100000761012 [0,1,0,0,0,0|1,0,2]=4 2802 B14R0.305 COC(=O)CCCCCOCC=C(C)C 34a_100000753907_100009816466 [0,1,0,0,0,0|1,0,2]=4 2803 B14R0.305 COC(=O)CCCCCOCC=C(C)C 7a_100000074720_100000761012 [0,1,0,0,0,0|1,0,2]=4 2804 B14R0.305 COC(=O)CCCCCOCCC(=O)C 34a_100000759926_100009816466 [0,1,0,0,0,0|1,0,1]=3 2805 B14R0.305 COC(=O)CCCCCOCCC(=O)C 7a_100000074720_100000053229 [0,1,0,0,0,0|1,0,1]=3 2806 B14R0.305 COC(=O)CCCCCOCCC(=O)C 7a_100000759926_100009816466 [0,1,0,0,0,0|1,0,1]=3 2807 B14R0.305 COC(=O)CCCCCOCCC(=O)N 34a_100000074720_100000731001 [0,1,0,0,0,0|2,0,0]=3 2808 B14R0.305 COC(=O)CCCCCOCCC(=O)N 34a_100000757172_100009816466 [0,1,0,0,0,0|2,0,0]=3 2809 B14R0.305 COC(=O)CCCCCOCCC(=O)N 7a_100000074720_100000744528 [0,1,0,0,0,0|2,0,0]=3 2810 B14R0.305 COC(=O)CCCCCOCCC(=O)N 7a_100000757172_100009816466 [0,1,0,0,0,0|2,0,0]=3 2811 B14R0.305 COC(=O)CCCCCOCCC(C)Br 34a_100009893172_100009816466 [0,1,0,0,0,0|1,0,2]=4 2812 B14R0.305 COC(=O)CCCCCOCCC(C)C 34a_100000074720_100000210312 [0,1,0,0,0,0|1,0,2]=4 2813 B14R0.305 COC(=O)CCCCCOCCC(C)C 34a_100000210254_100009816466 [0,1,0,0,0,0|1,0,2]=4 2814 B14R0.305 COC(=O)CCCCCOCCC(C)C 7a_100000074720_100000210626 [0,1,0,0,0,0|1,0,2]=4 2815 B14R0.305 COC(=O)CCCCCOCCC(C)C 7a_100000210254_100009816466 [0,1,0,0,0,0|1,0,2]=4 2816 B14R0.305 COC(=O)CCCCCOCCC(C)O 34a_100000074720_100012276601 [0,1,0,0,0,0|1,0,2]=4 2817 B14R0.305 COC(=O)CCCCCOCCC(C)O 7a_100000074720_100012276601 [0,1,0,0,0,0|1,0,2]=4 2818 B14R0.305 COC(=O)CCCCCOCCC(F)F 34a_100103093639_100009816466 [0,1,0,0,0,0|2,0,1]=4 2819 B14R0.305 COC(=O)CCCCCOCCN(C)C 7a_100000074720_100000755713 [0,1,0,0,0,0|2,0,1]=4 2820 B14R0.305 COC(=O)CCCCCOCC[C@@H](C)N 34a_100000706166_100009816466 [0,1,0,0,0,0|1,0,2]=4 2821 B14R0.305 COC(=O)CCCCCOCOC(=O)C 34a_100000074720_100009813279 [0,1,0,0,0,0|2,0,1]=4 2822 B14R0.305 COC(=O)CCCCCSCC=C(C)C 62a_100000761012_100009816466 [0,1,0,0,0,0|1,0,2]=4 2823 B14R0.305 COC(=O)CCCCCSCC=C(C)C 62a_100009816466_100000761012 [0,1,0,0,0,0|1,0,2]=4 2824 B14R0.305 COC(=O)CCCCCSCCC(=O)C 62a_100000053229_100009816466 [0,1,0,0,0,0|1,0,1]=3 2825 B14R0.305 COC(=O)CCCCCSCCC(=O)C 62a_100009816466_100000053229 [0,1,0,0,0,0|1,0,1]=3 2826 B14R0.305 COC(=O)CCCCCSCCC(=O)N 62a_100000744528_100009816466 [0,1,0,0,0,0|2,0,0]=3 2827 B14R0.305 COC(=O)CCCCCSCCC(=O)N 62a_100009816466_100000744528 [0,1,0,0,0,0|2,0,0]=3 2828 B14R0.305 COC(=O)CCCCCSCCC(C)C 62a_100000210312_100009816466 [0,1,0,0,0,0|1,0,2]=4 2829 B14R0.305 COC(=O)CCCCCSCCC(C)C 62a_100009816466_100000210312 [0,1,0,0,0,0|1,0,2]=4 2830 B14R0.305 COC(=O)CCCCCSCCC(C)O 62a_100009816466_100012276601 [0,1,0,0,0,0|1,0,2]=4 2831 B14R0.305 COC(=O)CCCCCSCCC(C)O 62a_100012276601_100009816466 [0,1,0,0,0,0|1,0,2]=4 2832 B14R0.305 COC(=O)CCCCCSCCN(C)C 62a_100009816466_100000755713 [0,1,0,0,0,0|2,0,1]=4 2833 B14R0.305 COC(=O)CCCCCSCOC(=O)C 62a_100000076356_100009816466 [0,1,0,0,0,0|2,0,1]=4 2834 B14R0.305 COC(=O)CCCCCSCOC(=O)C 62a_100009816466_100000076356 [0,1,0,0,0,0|2,0,1]=4 2835 B14R0.305 COC(=O)CCCCNCCCC(=O)N 34a_100000739312_100000204269 [0,1,0,0,0,0|2,0,0]=3 2836 B14R0.305 COC(=O)CCCCNCCCC(C)C 2230a_200000737386_100000204269 [0,1,0,0,0,0|1,0,2]=4 2837 B14R0.305 COC(=O)CCCCNCCCC(C)C 34a_200000737386_100000204269 [0,1,0,0,0,0|1,0,2]=4 2838 B14R0.305 COC(=O)CCCCNCCCS(=O)C 2230a_200000753449_100000204269 [0,1,0,0,0,0|2,0,1]=4 2839 B14R0.305 COC(=O)CCCCNCCNC(=O)C 2230a_100000209853_100000204269 [0,1,0,0,0,0|2,0,1]=4 2840 B14R0.305 COC(=O)CCCCNCCNC(=O)N 34a_100020590234_100000204269 [0,1,0,0,0,0|3,0,0]=4 2841 B14R0.305 COC(=O)CCCCOCCC=C(C)C 34a_100000059025_100011217483 [0,1,0,0,0,0|1,0,2]=4 2842 B14R0.305 COC(=O)CCCCOCCC=C(C)C 7a_100000059025_100011217483 [0,1,0,0,0,0|1,0,2]=4 2843 B14R0.305 COC(=O)CCCCOCCC=C(F)F 34a_100000059025_200009816681 [0,1,0,0,0,0|2,0,1]=4 2844 B14R0.305 COC(=O)CCCCOCCC=C(F)F 7a_100000059025_200009816681 [0,1,0,0,0,0|2,0,1]=4 2845 B14R0.305 COC(=O)CCCCOCCCC(=O)C 34a_100000059025_100000685027 [0,1,0,0,0,0|1,0,1]=3 2846 B14R0.305 COC(=O)CCCCOCCCC(=O)C 34a_100000759063_100000204269 [0,1,0,0,0,0|1,0,1]=3 2847 B14R0.305 COC(=O)CCCCOCCCC(=O)C 7a_100000059025_100011215641 [0,1,0,0,0,0|1,0,1]=3 2848 B14R0.305 COC(=O)CCCCOCCCC(=O)C 7a_100000759063_100000204269 [0,1,0,0,0,0|1,0,1]=3 2849 B14R0.305 COC(=O)CCCCOCCCC(=O)N 34a_100000059025_100102525003 [0,1,0,0,0,0|2,0,0]=3 2850 B14R0.305 COC(=O)CCCCOCCCC(=O)N 7a_100000059025_100102525003 [0,1,0,0,0,0|2,0,0]=3 2851 B14R0.305 COC(=O)CCCCOCCCC(C)C 34a_100000059025_100011214892 [0,1,0,0,0,0|1,0,2]=4 2852 B14R0.305 COC(=O)CCCCOCCCC(C)C 34a_100000210774_100000204269 [0,1,0,0,0,0|1,0,2]=4 2853 B14R0.305 COC(=O)CCCCOCCCC(C)C 7a_100000059025_100011214892 [0,1,0,0,0,0|1,0,2]=4 2854 B14R0.305 COC(=O)CCCCOCCCC(C)C 7a_100000210774_100000204269 [0,1,0,0,0,0|1,0,2]=4 2855 B14R0.305 COC(=O)CCCCOCCCC(C)O 34a_100000059025_200000718107 [0,1,0,0,0,0|1,0,2]=4 2856 B14R0.305 COC(=O)CCCCOCCCC(C)O 7a_100000059025_200000718107 [0,1,0,0,0,0|1,0,2]=4 2857 B14R0.305 COC(=O)CCCCOCCCN(C)C 7a_100000059025_100000757444 [0,1,0,0,0,0|2,0,1]=4 2858 B14R0.305 COC(=O)CCCCOCCC[N+](=O)[O-] 34a_200000037920_100000204269 [0,1,0,0,0,0|3,0,0]=4 2859 B14R0.305 COC(=O)CCCCOCCNC(=O)C 34a_100000158858_100000204269 [0,1,0,0,0,0|2,0,1]=4 2860 B14R0.305 COC(=O)CCCCOCCNC(=O)C 7a_100000059025_100000189650 [0,1,0,0,0,0|2,0,1]=4 2861 B14R0.305 COC(=O)CCCCOCCNC(=O)N 34a_100000181757_100000204269 [0,1,0,0,0,0|3,0,0]=4 2862 B14R0.305 COC(=O)CCCCOCCNC(=O)N 7a_100000059025_200000034859 [0,1,0,0,0,0|3,0,0]=4 2863 B14R0.305 COC(=O)CCCCOCCOC(=O)C 34a_100000059025_100009814007 [0,1,0,0,0,0|2,0,1]=4 2864 B14R0.305 COC(=O)CCCCOCCOC(=O)C 7a_100000059025_100009814007 [0,1,0,0,0,0|2,0,1]=4 2865 B14R0.305 COC(=O)CCCCOCCOC(=O)N 34a_100000059025_200011214921 [0,1,0,0,0,0|3,0,0]=4 2866 B14R0.305 COC(=O)CCCCOCCOC(=O)N 7a_100000059025_200011214921 [0,1,0,0,0,0|3,0,0]=4 2867 B14R0.305 COC(=O)CCCCOCCOC(=O)N 7a_100000766696_100000204269 [0,1,0,0,0,0|3,0,0]=4 2868 B14R0.305 COC(=O)CCCCSCCC=C(C)C 62a_100000204269_100011217483 [0,1,0,0,0,0|1,0,2]=4 2869 B14R0.305 COC(=O)CCCCSCCC=C(C)C 62a_100011217483_100000204269 [0,1,0,0,0,0|1,0,2]=4 2870 B14R0.305 COC(=O)CCCCSCCC=C(F)F 62a_100000204269_200009816681 [0,1,0,0,0,0|2,0,1]=4 2871 B14R0.305 COC(=O)CCCCSCCC=C(F)F 62a_200009816681_100000204269 [0,1,0,0,0,0|2,0,1]=4 2872 B14R0.305 COC(=O)CCCCSCCCC(=O)C 62a_100000204269_100011215641 [0,1,0,0,0,0|1,0,1]=3 2873 B14R0.305 COC(=O)CCCCSCCCC(=O)C 62a_100011215641_100000204269 [0,1,0,0,0,0|1,0,1]=3 2874 B14R0.305 COC(=O)CCCCSCCCC(=O)N 62a_100000204269_100102525003 [0,1,0,0,0,0|2,0,0]=3 2875 B14R0.305 COC(=O)CCCCSCCCC(=O)N 62a_100102525003_100000204269 [0,1,0,0,0,0|2,0,0]=3 2876 B14R0.305 COC(=O)CCCCSCCCC(C)C 62a_100000204269_100011214892 [0,1,0,0,0,0|1,0,2]=4 2877 B14R0.305 COC(=O)CCCCSCCCC(C)C 62a_100011214892_100000204269 [0,1,0,0,0,0|1,0,2]=4 2878 B14R0.305 COC(=O)CCCCSCCCC(C)O 62a_100000204269_200000718107 [0,1,0,0,0,0|1,0,2]=4 2879 B14R0.305 COC(=O)CCCCSCCCC(C)O 62a_200000718107_100000204269 [0,1,0,0,0,0|1,0,2]=4 2880 B14R0.305 COC(=O)CCCCSCCCN(C)C 62a_100000204269_100000757444 [0,1,0,0,0,0|2,0,1]=4 2881 B14R0.305 COC(=O)CCCCSCCNC(=O)C 62a_100000189650_100000204269 [0,1,0,0,0,0|2,0,1]=4 2882 B14R0.305 COC(=O)CCCCSCCNC(=O)C 62a_100000204269_100000189650 [0,1,0,0,0,0|2,0,1]=4 2883 B14R0.305 COC(=O)CCCCSCCNC(=O)N 62a_100000204269_200000034859 [0,1,0,0,0,0|3,0,0]=4 2884 B14R0.305 COC(=O)CCCCSCCNC(=O)N 62a_200000034859_100000204269 [0,1,0,0,0,0|3,0,0]=4 2885 B14R0.305 COC(=O)CCCCSCCOC(=O)C 62a_100000204269_100009814007 [0,1,0,0,0,0|2,0,1]=4 2886 B14R0.305 COC(=O)CCCCSCCOC(=O)C 62a_100009814007_100000204269 [0,1,0,0,0,0|2,0,1]=4 2887 B14R0.305 COC(=O)CCCCSCCOC(=O)N 62a_100000204269_200011214921 [0,1,0,0,0,0|3,0,0]=4 2888 B14R0.305 COC(=O)CCCCSCCOC(=O)N 62a_200011214921_100000204269 [0,1,0,0,0,0|3,0,0]=4 2889 B14R0.305 COC(=O)CCCNCCCCC(=O)N 34a_100000696515_100000742333 [0,1,0,0,0,0|2,0,0]=3 2890 B14R0.305 COC(=O)CCCNCCCNC(=O)C 34a_100000736810_100000742333 [0,1,0,0,0,0|2,0,1]=4 2891 B14R0.305 COC(=O)CCCNCCOCC(=O)O 269956a_100000700818_100011218270 [0,1,0,0,0,0|3,0,0]=4 2892 B14R0.305 COC(=O)CCCOCCCCC(=O)N 34a_100012022536_100000742333 [0,1,0,0,0,0|2,0,0]=3 2893 B14R0.305 COC(=O)CCCOCCCCC(=O)N 7a_100012022536_100011218270 [0,1,0,0,0,0|2,0,0]=3 2894 B14R0.305 COC(=O)CCCOCCCCC(C)C 34a_100011214890_100000742333 [0,1,0,0,0,0|1,0,2]=4 2895 B14R0.305 COC(=O)CCCOCCCCC(C)C 7a_100011214890_100011218270 [0,1,0,0,0,0|1,0,2]=4 2896 B14R0.305 COC(=O)CCCOCCCC[N+](=O)[O-] 34a_200015379883_100000742333 [0,1,0,0,0,0|3,0,0]=4 2897 B14R0.305 COC(=O)CCCOCCCC[N+](=O)[O-] 7a_200015379883_100011218270 [0,1,0,0,0,0|3,0,0]=4 2898 B14R0.305 COC(=O)CCCOCCCNC(=O)C 34a_100000752032_100000742333 [0,1,0,0,0,0|2,0,1]=4 2899 B14R0.305 COC(=O)CCCSCCCCB(O)O 62a_100011218270_200009817182 [0,1,0,0,0,0|3,0,0]=4 2900 B14R0.305 COC(=O)CCCSCCCCB(O)O 62a_200009817182_100011218270 [0,1,0,0,0,0|3,0,0]=4 2901 B14R0.305 COC(=O)CCCSCCCCC(=O)C 62a_100000735457_100011218270 [0,1,0,0,0,0|1,0,1]=3 2902 B14R0.305 COC(=O)CCCSCCCCC(=O)C 62a_100011218270_100000735457 [0,1,0,0,0,0|1,0,1]=3 2903 B14R0.305 COC(=O)CCCSCCCCC(C)C 62a_100011216152_100011218270 [0,1,0,0,0,0|1,0,2]=4 2904 B14R0.305 COC(=O)CCCSCCCCC(C)C 62a_100011218270_100011216152 [0,1,0,0,0,0|1,0,2]=4 2905 B14R0.305 COC(=O)CCCSCCCCN(C)C 62a_100011218270_100000690147 [0,1,0,0,0,0|2,0,1]=4 2906 B14R0.305 COC(=O)CCCSCCCOC(=O)C 62a_100000042594_100011218270 [0,1,0,0,0,0|2,0,1]=4 2907 B14R0.305 COC(=O)CCCSCCCOC(=O)C 62a_100011218270_100000042594 [0,1,0,0,0,0|2,0,1]=4 2908 B14R0.305 COC(=O)CCCSCCCOC(=S)C 62a_100011218270_200135323944 [0,1,0,0,0,0|2,0,1]=4 2909 B14R0.305 COC(=O)CCCSCCCOC(=S)C 62a_200135323944_100011218270 [0,1,0,0,0,0|2,0,1]=4 2910 B14R0.305 COC(=O)CCCSCCCSC(=O)C 62a_100000038929_100011218270 [0,1,0,0,0,0|2,0,1]=4 2911 B14R0.305 COC(=O)CCCSCCCSC(=O)C 62a_100011218270_100000038929 [0,1,0,0,0,0|2,0,1]=4 2912 B14R0.305 COC(=O)CCCSCCOCC(=O)N 62a_100000076697_100011218270 [0,1,0,0,0,0|3,0,0]=4 2913 B14R0.305 COC(=O)CCCSCCOCC(=O)N 62a_100011218270_100000076697 [0,1,0,0,0,0|3,0,0]=4 2914 B14R0.305 COC(=O)CCNCCCCCC(C)C 2230a_100011290863_100000204255 [0,1,0,0,0,0|1,0,2]=4 2915 B14R0.305 COC(=O)CCNCCCCCC(C)C 34a_100011290863_100000742370 [0,1,0,0,0,0|1,0,2]=4 2916 B14R0.305 COC(=O)CCNCCCCNC(=O)C 2230a_200011368371_100000204255 [0,1,0,0,0,0|2,0,1]=4 2917 B14R0.305 COC(=O)CCNCCCCNC(=O)C 34a_200011368371_100000742370 [0,1,0,0,0,0|2,0,1]=4 2918 B14R0.305 COC(=O)CCOCCCCCC(=O)N 34a_100000123541_100000742370 [0,1,0,0,0,0|2,0,0]=3 2919 B14R0.305 COC(=O)CCOCCCCCC(=O)N 7a_100000123541_100000204255 [0,1,0,0,0,0|2,0,0]=3 2920 B14R0.305 COC(=O)CCOCCCCCC(=O)[O-] 7a_100102619762_100000204255 [0,1,0,0,0,0|2,0,0]=3 2921 B14R0.305 COC(=O)CCOCCCCCC(C)C 34a_100011995859_100000742370 [0,1,0,0,0,0|1,0,2]=4 2922 B14R0.305 COC(=O)CCOCCCCCC(C)C 7a_100011995859_100000204255 [0,1,0,0,0,0|1,0,2]=4 2923 B14R0.305 COC(=O)CCOCCCCOC(=O)C 34a_100000073216_100000742370 [0,1,0,0,0,0|2,0,1]=4 2924 B14R0.305 COC(=O)CCOCCCCOC(=O)C 7a_100000073216_100000204255 [0,1,0,0,0,0|2,0,1]=4 2925 B14R0.305 COC(=O)CCOCCOCCC(=O)C 1458a_200020673210_200000210301 [0,1,0,0,0,0|2,0,1]=4 2926 B14R0.305 COC(=O)CCOCCOCCC(=O)[13CH3] 1458a_200020673210_200025704644 [0,1,0,0,0,0|2,0,1]=4 2927 B14R0.305 COC(=O)CCSCCCCCB(O)O 62a_100000204255_200009817188 [0,1,0,0,0,0|3,0,0]=4 2928 B14R0.305 COC(=O)CCSCCCCCB(O)O 62a_200009817188_100000204255 [0,1,0,0,0,0|3,0,0]=4 2929 B14R0.305 COC(=O)CCSCCCCCC(=O)N 62a_100000204255_100009817443 [0,1,0,0,0,0|2,0,0]=3 2930 B14R0.305 COC(=O)CCSCCCCCC(=O)N 62a_100009817443_100000204255 [0,1,0,0,0,0|2,0,0]=3 2931 B14R0.305 COC(=O)CCSCCCCCC(C)C 62a_100000204255_100000210682 [0,1,0,0,0,0|1,0,2]=4 2932 B14R0.305 COC(=O)CCSCCCCCC(C)C 62a_100000210682_100000204255 [0,1,0,0,0,0|1,0,2]=4 2933 B14R0.305 COC(=O)CCSCCCCOC(=O)C 62a_100000033659_100000204255 [0,1,0,0,0,0|2,0,1]=4 2934 B14R0.305 COC(=O)CCSCCCCOC(=O)C 62a_100000204255_100000033659 [0,1,0,0,0,0|2,0,1]=4 2935 B14R0.305 COC(=O)CCSCCCCSC(=O)C 62a_100000204255_200010402107 [0,1,0,0,0,0|2,0,1]=4 2936 B14R0.305 COC(=O)CCSCCCCSC(=O)C 62a_200010402107_100000204255 [0,1,0,0,0,0|2,0,1]=4 2937 B14R0.305 COC(=O)CNCCCCCCC(C)C 2230a_100000211014_100000747449 [0,1,0,0,0,0|1,0,2]=4 2938 B14R0.305 COC(=O)CNCCCCCCC(C)C 34a_100000211014_100000747449 [0,1,0,0,0,0|1,0,2]=4 2939 B14R0.305 COC(=O)CNCCCCCNC(=O)C 2230a_200012022750_100000747449 [0,1,0,0,0,0|2,0,1]=4 2940 B14R0.305 COC(=O)CNCCCCCNC(=O)C 34a_200012022750_100000747449 [0,1,0,0,0,0|2,0,1]=4 2941 B14R0.305 COC(=O)COCCNCCCC(=O)N 34a_100000739312_100000090808 [0,1,0,0,0,0|3,0,0]=4 2942 B14R0.305 COC(=O)COCCOCCCC(=O)C 34a_100000759063_100000090808 [0,1,0,0,0,0|2,0,1]=4 2943 B14R0.305 COC(=O)COCCOCCCC(=O)C 7a_100000759063_100000090808 [0,1,0,0,0,0|2,0,1]=4 2944 B14R0.305 COC(=O)COCCSCCCC(=O)C 62a_100000090808_100011215641 [0,1,0,0,0,0|2,0,1]=4 2945 B14R0.305 COC(=O)COCCSCCCC(=O)C 62a_100011215641_100000090808 [0,1,0,0,0,0|2,0,1]=4 2946 B14R0.305 COC(=O)COCCSCCCC(=O)N 62a_100000090808_100102525003 [0,1,0,0,0,0|3,0,0]=4 2947 B14R0.305 COC(=O)COCCSCCCC(=O)N 62a_100102525003_100000090808 [0,1,0,0,0,0|3,0,0]=4 2948 B14R0.305 COC(=O)CSCCCCCCB(O)O 62a_100000747449_100009817187 [0,1,0,0,0,0|3,0,0]=4 2949 B14R0.305 COC(=O)CSCCCCCCB(O)O 62a_100009817187_100000747449 [0,1,0,0,0,0|3,0,0]=4 2950 B14R0.305 COC(=O)CSCCCCCOC(=O)C 62a_100000033007_100000747449 [0,1,0,0,0,0|2,0,1]=4 2951 B14R0.305 COC(=O)CSCCCCCOC(=O)C 62a_100000747449_100000033007 [0,1,0,0,0,0|2,0,1]=4 2952 B14R0.305 COC(=O)NCCOCCCCC(=O)C 34a_100000757965_100009817362 [0,1,0,0,0,0|2,0,1]=4 2953 B14R0.305 COC(=O)OCCOCCCCC(=O)C 34a_100010262106_100009817362 [0,1,0,0,0,0|2,0,1]=4 2954 B14R0.305 COC(=O)OCSCCCCCC(=O)N 62a_100009817443_100000139417 [0,1,0,0,0,0|3,0,0]=4 2955 B14R0.337 C#CC(=O)CCCCCCCCCC=C 1458a_100000211873_100009814027 [0,1,0,0,0,0|1,0,1]=3 2956 B14R0.337 C#CCCCCCCCNCC(=O)NC 2230a_100000693194_100153394163 [0,1,0,0,0,0|1,0,2]=4 2957 B14R0.337 C#CCCCCCCCOCC(=O)CC 34a_100000725409_100153394163 [0,1,0,0,0,0|1,0,2]=4 2958 B14R0.337 C#CCCCCCCCOCC(=O)CC 7a_100000054614_100000747405 [0,1,0,0,0,0|1,0,2]=4 2959 B14R0.337 C#CCCCCCCCOCC(=O)NC 34a_100000054614_100000183359 [0,1,0,0,0,0|1,0,2]=4 2960 B14R0.337 C#CCCCCCCCOCC(=O)NC 34a_100000750040_100153394163 [0,1,0,0,0,0|1,0,2]=4 2961 B14R0.337 C#CCCCCCCCOCC(=O)NC 7a_100000054614_100000183359 [0,1,0,0,0,0|1,0,2]=4 2962 B14R0.337 C#CCCCCCCCOCC(=O)OC 34a_100000054614_100000747449 [0,1,0,0,0,0|0,0,2]=3 2963 B14R0.337 C#CCCCCCCCOCC(=O)OC 7a_100000054614_100000747449 [0,1,0,0,0,0|0,0,2]=3 2964 B14R0.337 C#CCCCCCCCSCC(=O)CC 62a_100000747405_100153394163 [0,1,0,0,0,0|1,0,2]=4 2965 B14R0.337 C#CCCCCCCCSCC(=O)CC 62a_100153394163_100000747405 [0,1,0,0,0,0|1,0,2]=4 2966 B14R0.337 C#CCCCCCCCSCC(=O)NC 62a_100000183359_100153394163 [0,1,0,0,0,0|1,0,2]=4 2967 B14R0.337 C#CCCCCCCCSCC(=O)NC 62a_100153394163_100000183359 [0,1,0,0,0,0|1,0,2]=4 2968 B14R0.337 C#CCCCCCCCSCC(=O)OC 62a_100000747449_100153394163 [0,1,0,0,0,0|0,0,2]=3 2969 B14R0.337 C#CCCCCCCCSCC(=O)OC 62a_100153394163_100000747449 [0,1,0,0,0,0|0,0,2]=3 2970 B14R0.337 C#CCCCCCCNCCC(=O)NC 2230a_100000738227_100012276617 [0,1,0,0,0,0|1,0,2]=4 2971 B14R0.337 C#CCCCCCCNCCC(=O)NC 34a_100000738227_100012276617 [0,1,0,0,0,0|1,0,2]=4 2972 B14R0.337 C#CCCCCCCOCCC(=O)NC 34a_100000754576_100012276617 [0,1,0,0,0,0|1,0,2]=4 2973 B14R0.337 C#CCCCCCCOCCC(=O)NC 34a_100011217361_100012179268 [0,1,0,0,0,0|1,0,2]=4 2974 B14R0.337 C#CCCCCCCOCCC(=O)NC 7a_100011217361_100000737683 [0,1,0,0,0,0|1,0,2]=4 2975 B14R0.337 C#CCCCCCCOCCC(=O)OC 34a_100011217361_100000742370 [0,1,0,0,0,0|0,0,2]=3 2976 B14R0.337 C#CCCCCCCOCCC(=O)OC 7a_100011217361_100000204255 [0,1,0,0,0,0|0,0,2]=3 2977 B14R0.337 C#CCCCCCCSCCC(=O)NC 62a_100000737683_100012276617 [0,1,0,0,0,0|1,0,2]=4 2978 B14R0.337 C#CCCCCCCSCCC(=O)NC 62a_100012276617_100000737683 [0,1,0,0,0,0|1,0,2]=4 2979 B14R0.337 C#CCCCCCCSCCC(=O)OC 62a_100000204255_100012276617 [0,1,0,0,0,0|0,0,2]=3 2980 B14R0.337 C#CCCCCCCSCCC(=O)OC 62a_100012276617_100000204255 [0,1,0,0,0,0|0,0,2]=3 2981 B14R0.337 C#CCCCCCCSCOC(=O)OC 62a_100012276617_100000139417 [0,1,0,0,0,0|1,0,2]=4 2982 B14R0.337 C#CCCCCCNCCCC(=O)NC 2230a_100000740002_100012094781 [0,1,0,0,0,0|1,0,2]=4 2983 B14R0.337 C#CCCCCCNCCCC(=O)NC 34a_100000740002_100012094781 [0,1,0,0,0,0|1,0,2]=4 2984 B14R0.337 C#CCCCCCOCCCC(=O)NC 34a_100000766912_100000741757 [0,1,0,0,0,0|1,0,2]=4 2985 B14R0.337 C#CCCCCCOCCCC(=O)NC 7a_100000766912_100000741757 [0,1,0,0,0,0|1,0,2]=4 2986 B14R0.337 C#CCCCCCOCCCC(=O)OC 34a_100000766912_100000742333 [0,1,0,0,0,0|0,0,2]=3 2987 B14R0.337 C#CCCCCCOCCCC(=O)OC 7a_100000766912_100011218270 [0,1,0,0,0,0|0,0,2]=3 2988 B14R0.337 C#CCCCCCOCCNC(=O)OC 34a_100000757965_100012094781 [0,1,0,0,0,0|1,0,2]=4 2989 B14R0.337 C#CCCCCCOCCOC(=O)OC 34a_100010262106_100012094781 [0,1,0,0,0,0|1,0,2]=4 2990 B14R0.337 C#CCCCCCSCCCC(=O)NC 62a_100000741757_100012094781 [0,1,0,0,0,0|1,0,2]=4 2991 B14R0.337 C#CCCCCCSCCCC(=O)NC 62a_100012094781_100000741757 [0,1,0,0,0,0|1,0,2]=4 2992 B14R0.337 C#CCCCCCSCCCC(=O)OC 62a_100011218270_100012094781 [0,1,0,0,0,0|0,0,2]=3 2993 B14R0.337 C#CCCCCCSCCCC(=O)OC 62a_100012094781_100011218270 [0,1,0,0,0,0|0,0,2]=3 2994 B14R0.337 C#CCCCCNCCCCC(=O)OC 2230a_100000706060_100000204269 [0,1,0,0,0,0|0,0,2]=3 2995 B14R0.337 C#CCCCCNCCCCC(=O)OC 34a_100000706060_100000204269 [0,1,0,0,0,0|0,0,2]=3 2996 B14R0.337 C#CCCCCNCCOCC(=O)OC 2230a_100000706060_100000090808 [0,1,0,0,0,0|1,0,2]=4 2997 B14R0.337 C#CCCCCNCCOCC(=O)OC 34a_100000706060_100000090808 [0,1,0,0,0,0|1,0,2]=4 2998 B14R0.337 C#CCCCCOCCCCC(=O)OC 34a_100000059025_100010269958 [0,1,0,0,0,0|0,0,2]=3 2999 B14R0.337 C#CCCCCOCCCCC(=O)OC 34a_100000766709_100000204269 [0,1,0,0,0,0|0,0,2]=3 3000 B14R0.337 C#CCCCCOCCCCC(=O)OC 7a_100000059025_100010269958 [0,1,0,0,0,0|0,0,2]=3 3001 B14R0.337 C#CCCCCOCCCCC(=O)OC 7a_100000766709_100000204269 [0,1,0,0,0,0|0,0,2]=3 3002 B14R0.337 C#CCCCCOCCOCC(=O)OC 34a_100000766709_100000090808 [0,1,0,0,0,0|1,0,2]=4 3003 B14R0.337 C#CCCCCOCCOCC(=O)OC 7a_100000766709_100000090808 [0,1,0,0,0,0|1,0,2]=4 3004 B14R0.337 C#CCCCCSCCCCC(=O)OC 62a_100000204269_100010269958 [0,1,0,0,0,0|0,0,2]=3 3005 B14R0.337 C#CCCCCSCCCCC(=O)OC 62a_100010269958_100000204269 [0,1,0,0,0,0|0,0,2]=3 3006 B14R0.337 C#CCCCCSCCOCC(=O)OC 62a_100000090808_100010269958 [0,1,0,0,0,0|1,0,2]=4 3007 B14R0.337 C#CCCCCSCCOCC(=O)OC 62a_100010269958_100000090808 [0,1,0,0,0,0|1,0,2]=4 3008 B14R0.337 C#CCCCNCCCCCC(=O)OC 34a_100000718082_100009816466 [0,1,0,0,0,0|0,0,2]=3 3009 B14R0.337 C#CCCCOCCCCCC(=O)OC 34a_100000074720_100000695029 [0,1,0,0,0,0|0,0,2]=3 3010 B14R0.337 C#CCCCOCCCCCC(=O)OC 34a_100000215630_100009816466 [0,1,0,0,0,0|0,0,2]=3 3011 B14R0.337 C#CCCCOCCCCCC(=O)OC 7a_100000074720_100011215417 [0,1,0,0,0,0|0,0,2]=3 3012 B14R0.337 C#CCCCOCCCCCC(=O)OC 7a_100000215630_100009816466 [0,1,0,0,0,0|0,0,2]=3 3013 B14R0.337 C#CCCCSCCCCCC(=O)OC 62a_100009816466_100011215417 [0,1,0,0,0,0|0,0,2]=3 3014 B14R0.337 C#CCCCSCCCCCC(=O)OC 62a_100011215417_100009816466 [0,1,0,0,0,0|0,0,2]=3 3015 B14R0.337 C#CCCNCCCCCCC(=O)OC 34a_100000755551_100009815986 [0,1,0,0,0,0|0,0,2]=3 3016 B14R0.337 C#CCCOCCCCCCC(=O)OC 34a_100009863599_100000688953 [0,1,0,0,0,0|0,0,2]=3 3017 B14R0.337 C#CCCOCCCCCCC(=O)OC 34a_100011215631_100009815986 [0,1,0,0,0,0|0,0,2]=3 3018 B14R0.337 C#CCCOCCCCCCC(=O)OC 7a_100009863599_100000688953 [0,1,0,0,0,0|0,0,2]=3 3019 B14R0.337 C#CCCSCCCCCCC(=O)OC 62a_100000688953_100009815986 [0,1,0,0,0,0|0,0,2]=3 3020 B14R0.337 C#CCCSCCCCCCC(=O)OC 62a_100009815986_100000688953 [0,1,0,0,0,0|0,0,2]=3 3021 B14R0.337 C#CCNCCCCCCCC(=O)OC 34a_100000212058_100010004213 [0,1,0,0,0,0|0,0,2]=3 3022 B14R0.337 C#CCOCCCCCCCC(=O)OC 34a_100000210247_100010004213 [0,1,0,0,0,0|0,0,2]=3 3023 B14R0.337 C#CCOCCCCCCCC(=O)OC 34a_100011022521_100000184674 [0,1,0,0,0,0|0,0,2]=3 3024 B14R0.337 C#CCOCCCCCCCC(=O)OC 7a_100011022521_100000038162 [0,1,0,0,0,0|0,0,2]=3 3025 B14R0.337 C#CCOCCNCCCCC(=O)OC 2230a_100000700922_100000204269 [0,1,0,0,0,0|1,0,2]=4 3026 B14R0.337 C#CCOCCNCCCCC(=O)OC 34a_100000700922_100000204269 [0,1,0,0,0,0|1,0,2]=4 3027 B14R0.337 C#CCOCCOCCCCC(=O)OC 34a_100000054580_100000204269 [0,1,0,0,0,0|1,0,2]=4 3028 B14R0.337 C#CCOCCOCCCCC(=O)OC 34a_100000059025_100010402529 [0,1,0,0,0,0|1,0,2]=4 3029 B14R0.337 C#CCOCCOCCCCC(=O)OC 7a_100000054580_100000204269 [0,1,0,0,0,0|1,0,2]=4 3030 B14R0.337 C#CCOCCOCCCCC(=O)OC 7a_100000059025_100010402529 [0,1,0,0,0,0|1,0,2]=4 3031 B14R0.337 C#CCOCCSCCCCC(=O)OC 62a_100000204269_100010402529 [0,1,0,0,0,0|1,0,2]=4 3032 B14R0.337 C#CCOCCSCCCCC(=O)OC 62a_100010402529_100000204269 [0,1,0,0,0,0|1,0,2]=4 3033 B14R0.337 C#CCSCCCCCCCC(=O)OC 62a_100000038162_100010004213 [0,1,0,0,0,0|0,0,2]=3 3034 B14R0.337 C/C=C/C=C/COCCCCC(=O)OC 34a_100016283227_100000204269 [0,1,0,0,0,0|1,0,2]=4 3035 B14R0.337 C/C=C/CCOCCCCCC(=O)OC 34a_100016278192_100009816466 [0,1,0,0,0,0|1,0,0]=2 3036 B14R0.337 C/C=C/COCCCCCCC(=O)OC 34a_100009863599_100102629194 [0,1,0,0,0,0|1,0,0]=2 3037 B14R0.337 C/C=C/COCCCCCCC(=O)OC 34a_100016270725_100009815986 [0,1,0,0,0,0|1,0,0]=2 3038 B14R0.337 C/C=C/COCCCCCCC(=O)OC 7a_100009863599_100102629194 [0,1,0,0,0,0|1,0,0]=2 3039 B14R0.337 C/C=C/CSCCCCCCC(=O)OC 62a_100009815986_100102629194 [0,1,0,0,0,0|1,0,0]=2 3040 B14R0.337 C/C=C/CSCCCCCCC(=O)OC 62a_100102629194_100009815986 [0,1,0,0,0,0|1,0,0]=2 3041 B14R0.337 C=CCCC/C=C/COCCC(=O)NC 34a_200016268473_100012179268 [0,1,0,0,0,0|1,0,2]=4 3042 B14R0.337 C=CCCC/C=C/COCCC(=O)NC 7a_200016268473_100000737683 [0,1,0,0,0,0|1,0,2]=4 3043 B14R0.337 C=CCCC/C=C/COCCC(=O)OC 34a_200016268473_100000742370 [0,1,0,0,0,0|0,0,2]=3 3044 B14R0.337 C=CCCC/C=C/COCCC(=O)OC 7a_200016268473_100000204255 [0,1,0,0,0,0|0,0,2]=3 3045 B14R0.337 C=CCCCCCCCCCC(=O)C=C 1458a_100000185746_100009814027 [0,1,0,0,0,0|1,0,1]=3 3046 B14R0.337 C=CCCCCCCCCCC(=O)CC 1458a_100000210414_100009814027 [0,1,0,0,0,0|1,0,0]=2 3047 B14R0.337 C=CCCCCCCCCCC(=O)CO 1458a_100000210174_100009814027 [0,1,0,0,0,0|2,0,0]=3 3048 B14R0.337 C=CCCCCCCCCCN(C)CC 2230a_100000225621_100009814027 [0,1,0,0,0,0|3,0,0]=4 3049 B14R0.337 C=CCCCCCCCCCN(C)CC 269982a_100000225621_100009814027 [0,1,0,0,0,0|3,0,0]=4 3050 B14R0.337 C=CCCCCCCCCNC(C)CC 2230a_100000209981_100011933949 [0,1,0,0,0,0|2,0,1]=4 3051 B14R0.337 C=CCCCCCCCCOC(C)CC 34a_100011215194_100011215416 [0,1,0,0,0,0|2,0,1]=4 3052 B14R0.337 C=CCCCCCCCCOC(C)CC 7a_100000210228_100011933949 [0,1,0,0,0,0|2,0,1]=4 3053 B14R0.337 C=CCCCCCCCCOC(C)CC 7a_100011215194_100000758301 [0,1,0,0,0,0|2,0,1]=4 3054 B14R0.337 C=CCCCCCCCCSC(C)CC 62a_100000758301_100011933949 [0,1,0,0,0,0|2,0,1]=4 3055 B14R0.337 C=CCCCCCCCCSC(C)CC 62a_100011933949_100000758301 [0,1,0,0,0,0|2,0,1]=4 3056 B14R0.337 C=CCCCCCCCCSC(C)OC 62a_100009879195_100011933949 [0,1,0,0,0,0|1,0,1]=3 3057 B14R0.337 C=CCCCCCCCCSC(C)OC 62a_100011933949_100009879195 [0,1,0,0,0,0|1,0,1]=3 3058 B14R0.337 C=CCCCCCCCNCC(=O)NC 2230a_100000693194_100012355270 [0,1,0,0,0,0|1,0,0]=2 3059 B14R0.337 C=CCCCCCCCNCC(C)CC 2230a_100020588543_100012355270 [0,1,0,0,0,0|2,0,1]=4 3060 B14R0.337 C=CCCCCCCCNCC(O)CC 2230a_100011218483_100012355270 [0,1,0,0,0,0|1,0,2]=4 3061 B14R0.337 C=CCCCCCCCNC[C@@H](C)OC 2230a_100020591295_100012355270 [0,1,0,0,0,0|1,0,1]=3 3062 B14R0.337 C=CCCCCCCCOCC(=C)C#N 34a_100000730831_100000694840 [0,1,0,0,0,0|3,0,0]=4 3063 B14R0.337 C=CCCCCCCCOCC(=O)CC 34a_100000725409_100012355270 [0,1,0,0,0,0|1,0,0]=2 3064 B14R0.337 C=CCCCCCCCOCC(=O)CC 7a_100000730831_100000747405 [0,1,0,0,0,0|1,0,0]=2 3065 B14R0.337 C=CCCCCCCCOCC(=O)NC 34a_100000730831_100000183359 [0,1,0,0,0,0|1,0,0]=2 3066 B14R0.337 C=CCCCCCCCOCC(=O)NC 34a_100000750040_100012355270 [0,1,0,0,0,0|1,0,0]=2 3067 B14R0.337 C=CCCCCCCCOCC(=O)NC 7a_100000730831_100000183359 [0,1,0,0,0,0|1,0,0]=2 3068 B14R0.337 C=CCCCCCCCOCC(=O)OC 34a_100000730831_100000747449 [0,1,0,0,0,0|0,0,0]=1 3069 B14R0.337 C=CCCCCCCCOCC(=O)OC 7a_100000730831_100000747449 [0,1,0,0,0,0|0,0,0]=1 3070 B14R0.337 C=CCCCCCCCOCC(C)CC 34a_100000730831_100000748023 [0,1,0,0,0,0|2,0,1]=4 3071 B14R0.337 C=CCCCCCCCOCC(C)CC 7a_100000730831_100000748023 [0,1,0,0,0,0|2,0,1]=4 3072 B14R0.337 C=CCCCCCCCOCC(C)OC 34a_100000690652_100012355270 [0,1,0,0,0,0|1,0,1]=3 3073 B14R0.337 C=CCCCCCCCOCC(O)CC 34a_100000730831_100011218378 [0,1,0,0,0,0|1,0,2]=4 3074 B14R0.337 C=CCCCCCCCOCC(O)CC 7a_100000730831_100011218378 [0,1,0,0,0,0|1,0,2]=4 3075 B14R0.337 C=CCCCCCCCOC[C@@H](C)CC 34a_100000730831_100009816398 [0,1,0,0,0,0|2,0,1]=4 3076 B14R0.337 C=CCCCCCCCOC[C@@H](C)CC 7a_100000730831_100009816398 [0,1,0,0,0,0|2,0,1]=4 3077 B14R0.337 C=CCCCCCCCOC[C@@H](C)CC 7a_100009816381_100012355270 [0,1,0,0,0,0|2,0,1]=4 3078 B14R0.337 C=CCCCCCCCSCC(=C)C#N 62a_100012355270_100000694840 [0,1,0,0,0,0|3,0,0]=4 3079 B14R0.337 C=CCCCCCCCSCC(=O)CC 62a_100000747405_100012355270 [0,1,0,0,0,0|1,0,0]=2 3080 B14R0.337 C=CCCCCCCCSCC(=O)CC 62a_100012355270_100000747405 [0,1,0,0,0,0|1,0,0]=2 3081 B14R0.337 C=CCCCCCCCSCC(=O)NC 62a_100000183359_100012355270 [0,1,0,0,0,0|1,0,0]=2 3082 B14R0.337 C=CCCCCCCCSCC(=O)NC 62a_100012355270_100000183359 [0,1,0,0,0,0|1,0,0]=2 3083 B14R0.337 C=CCCCCCCCSCC(=O)OC 62a_100000747449_100012355270 [0,1,0,0,0,0|0,0,0]=1 3084 B14R0.337 C=CCCCCCCCSCC(=O)OC 62a_100012355270_100000747449 [0,1,0,0,0,0|0,0,0]=1 3085 B14R0.337 C=CCCCCCCCSCC(C)CC 62a_100000748023_100012355270 [0,1,0,0,0,0|2,0,1]=4 3086 B14R0.337 C=CCCCCCCCSCC(C)CC 62a_100012355270_100000748023 [0,1,0,0,0,0|2,0,1]=4 3087 B14R0.337 C=CCCCCCCCSCC(O)CC 62a_100011218378_100012355270 [0,1,0,0,0,0|1,0,2]=4 3088 B14R0.337 C=CCCCCCCCSCC(O)CC 62a_100012355270_100011218378 [0,1,0,0,0,0|1,0,2]=4 3089 B14R0.337 C=CCCCCCCCSC[C@@H](C)CC 62a_100009816398_100012355270 [0,1,0,0,0,0|2,0,1]=4 3090 B14R0.337 C=CCCCCCCCSC[C@@H](C)CC 62a_100012355270_100009816398 [0,1,0,0,0,0|2,0,1]=4 3091 B14R0.337 C=CCCCCCCNCCC(=O)NC 2230a_100000738227_100011215473 [0,1,0,0,0,0|1,0,0]=2 3092 B14R0.337 C=CCCCCCCNCCC(=O)NC 34a_100000738227_100011215473 [0,1,0,0,0,0|1,0,0]=2 3093 B14R0.337 C=CCCCCCCNCCC(C)CC 2230a_100020591266_100011215473 [0,1,0,0,0,0|2,0,1]=4 3094 B14R0.337 C=CCCCCCCOCCC(=NO)N 34a_100000749954_100011215473 [0,1,0,0,0,0|3,0,0]=4 3095 B14R0.337 C=CCCCCCCOCCC(=O)NC 34a_100000754576_100011215473 [0,1,0,0,0,0|1,0,0]=2 3096 B14R0.337 C=CCCCCCCOCCC(=O)NC 34a_200011216477_100012179268 [0,1,0,0,0,0|1,0,0]=2 3097 B14R0.337 C=CCCCCCCOCCC(=O)NC 7a_200011216477_100000737683 [0,1,0,0,0,0|1,0,0]=2 3098 B14R0.337 C=CCCCCCCOCCC(=O)OC 34a_200011216477_100000742370 [0,1,0,0,0,0|0,0,0]=1 3099 B14R0.337 C=CCCCCCCOCCC(=O)OC 7a_200011216477_100000204255 [0,1,0,0,0,0|0,0,0]=1 3100 B14R0.337 C=CCCCCCCOCCC(C)CC 7a_100011215188_100011215473 [0,1,0,0,0,0|2,0,1]=4 3101 B14R0.337 C=CCCCCCCOCCC(C)OC 7a_100000764861_100011215473 [0,1,0,0,0,0|1,0,1]=3 3102 B14R0.337 C=CCCCCCCSCCC(=O)NC 62a_100000737683_100011215473 [0,1,0,0,0,0|1,0,0]=2 3103 B14R0.337 C=CCCCCCCSCCC(=O)NC 62a_100011215473_100000737683 [0,1,0,0,0,0|1,0,0]=2 3104 B14R0.337 C=CCCCCCCSCCC(=O)OC 62a_100000204255_100011215473 [0,1,0,0,0,0|0,0,0]=1 3105 B14R0.337 C=CCCCCCCSCCC(=O)OC 62a_100011215473_100000204255 [0,1,0,0,0,0|0,0,0]=1 3106 B14R0.337 C=CCCCCCCSCOC(=O)OC 62a_100011215473_100000139417 [0,1,0,0,0,0|1,0,0]=2 3107 B14R0.337 C=CCCCCCNCCCC(=O)NC 2230a_100000740002_100000700193 [0,1,0,0,0,0|1,0,0]=2 3108 B14R0.337 C=CCCCCCNCCCC(=O)NC 34a_100000740002_100000700193 [0,1,0,0,0,0|1,0,0]=2 3109 B14R0.337 C=CCCCCCNCCNC(=O)C=C 2230a_114873766552_100000700193 [0,1,0,0,0,0|2,0,1]=4 3110 B14R0.337 C=CCCCCCNCCNC(=O)CC 34a_100132302217_100000700193 [0,1,0,0,0,0|2,0,0]=3 3111 B14R0.337 C=CCCCCCNCCNC(=O)NC 34a_100015205895_100000700193 [0,1,0,0,0,0|2,0,0]=3 3112 B14R0.337 C=CCCCCCOC/C=C/C(=O)OC 34a_100011216702_100000742655 [0,1,0,0,0,0|0,0,2]=3 3113 B14R0.337 C=CCCCCCOC/C=C/C(=O)OC 7a_100011216702_100000742655 [0,1,0,0,0,0|0,0,2]=3 3114 B14R0.337 C=CCCCCCOCCCC(=O)NC 34a_100011216702_100000741757 [0,1,0,0,0,0|1,0,0]=2 3115 B14R0.337 C=CCCCCCOCCCC(=O)NC 7a_100011216702_100000741757 [0,1,0,0,0,0|1,0,0]=2 3116 B14R0.337 C=CCCCCCOCCCC(=O)NN 34a_100000211488_100000700193 [0,1,0,0,0,0|2,0,0]=3 3117 B14R0.337 C=CCCCCCOCCCC(=O)OC 34a_100011216702_100000742333 [0,1,0,0,0,0|0,0,0]=1 3118 B14R0.337 C=CCCCCCOCCCC(=O)OC 7a_100011216702_100011218270 [0,1,0,0,0,0|0,0,0]=1 3119 B14R0.337 C=CCCCCCOCCCC(C)CC 7a_100011216074_100000700193 [0,1,0,0,0,0|2,0,1]=4 3120 B14R0.337 C=CCCCCCOCCCN(C)CC 7a_100011216702_100015186262 [0,1,0,0,0,0|3,0,0]=4 3121 B14R0.337 C=CCCCCCOCCNC(=O)C=C 34a_100011304386_100000700193 [0,1,0,0,0,0|2,0,1]=4 3122 B14R0.337 C=CCCCCCOCCNC(=O)CC 34a_200000158885_100000700193 [0,1,0,0,0,0|2,0,0]=3 3123 B14R0.337 C=CCCCCCOCCNC(=O)CC 7a_200000158885_100000700193 [0,1,0,0,0,0|2,0,0]=3 3124 B14R0.337 C=CCCCCCOCCNC(=O)OC 34a_100000757965_100000700193 [0,1,0,0,0,0|1,0,0]=2 3125 B14R0.337 C=CCCCCCOCCOC(=O)C=C 34a_100011216702_100009813456 [0,1,0,0,0,0|2,0,1]=4 3126 B14R0.337 C=CCCCCCOCCOC(=O)C=C 7a_100011216702_100009813456 [0,1,0,0,0,0|2,0,1]=4 3127 B14R0.337 C=CCCCCCOCCOC(=O)CC 7a_200000031056_100000700193 [0,1,0,0,0,0|2,0,0]=3 3128 B14R0.337 C=CCCCCCOCCOC(=O)NC 34a_100011216702_200011997002 [0,1,0,0,0,0|2,0,0]=3 3129 B14R0.337 C=CCCCCCOCCOC(=O)NC 7a_100011216702_200011997002 [0,1,0,0,0,0|2,0,0]=3 3130 B14R0.337 C=CCCCCCOCCOC(=O)OC 34a_100010262106_100000700193 [0,1,0,0,0,0|1,0,0]=2 3131 B14R0.337 C=CCCCCCSC/C=C/C(=O)OC 62a_100000700193_100000742655 [0,1,0,0,0,0|0,0,2]=3 3132 B14R0.337 C=CCCCCCSC/C=C/C(=O)OC 62a_100000742655_100000700193 [0,1,0,0,0,0|0,0,2]=3 3133 B14R0.337 C=CCCCCCSCCCC(=O)NC 62a_100000700193_100000741757 [0,1,0,0,0,0|1,0,0]=2 3134 B14R0.337 C=CCCCCCSCCCC(=O)NC 62a_100000741757_100000700193 [0,1,0,0,0,0|1,0,0]=2 3135 B14R0.337 C=CCCCCCSCCCC(=O)OC 62a_100000700193_100011218270 [0,1,0,0,0,0|0,0,0]=1 3136 B14R0.337 C=CCCCCCSCCCC(=O)OC 62a_100011218270_100000700193 [0,1,0,0,0,0|0,0,0]=1 3137 B14R0.337 C=CCCCCCSCCCN(C)CC 62a_100000700193_100015186262 [0,1,0,0,0,0|3,0,0]=4 3138 B14R0.337 C=CCCCCCSCCOC(=O)C=C 62a_100000700193_100009813456 [0,1,0,0,0,0|2,0,1]=4 3139 B14R0.337 C=CCCCCCSCCOC(=O)C=C 62a_100009813456_100000700193 [0,1,0,0,0,0|2,0,1]=4 3140 B14R0.337 C=CCCCCCSCCOC(=O)NC 62a_100000700193_200011997002 [0,1,0,0,0,0|2,0,0]=3 3141 B14R0.337 C=CCCCCCSCCOC(=O)NC 62a_200011997002_100000700193 [0,1,0,0,0,0|2,0,0]=3 3142 B14R0.337 C=CCCCCNCCCCC(=O)OC 2230a_100000703577_100000204269 [0,1,0,0,0,0|0,0,0]=1 3143 B14R0.337 C=CCCCCNCCCCC(=O)OC 34a_100000703577_100000204269 [0,1,0,0,0,0|0,0,0]=1 3144 B14R0.337 C=CCCCCNCCOCC(=O)OC 2230a_100000703577_100000090808 [0,1,0,0,0,0|1,0,0]=2 3145 B14R0.337 C=CCCCCNCCOCC(=O)OC 34a_100000703577_100000090808 [0,1,0,0,0,0|1,0,0]=2 3146 B14R0.337 C=CCCCCOCCCCC(=O)OC 34a_100000059025_100011215482 [0,1,0,0,0,0|0,0,0]=1 3147 B14R0.337 C=CCCCCOCCCCC(=O)OC 34a_100000766645_100000204269 [0,1,0,0,0,0|0,0,0]=1 3148 B14R0.337 C=CCCCCOCCCCC(=O)OC 7a_100000059025_100011215482 [0,1,0,0,0,0|0,0,0]=1 3149 B14R0.337 C=CCCCCOCCCCC(=O)OC 7a_100000766645_100000204269 [0,1,0,0,0,0|0,0,0]=1 3150 B14R0.337 C=CCCCCOCCOCC(=O)OC 34a_100000766645_100000090808 [0,1,0,0,0,0|1,0,0]=2 3151 B14R0.337 C=CCCCCOCCOCC(=O)OC 7a_100000766645_100000090808 [0,1,0,0,0,0|1,0,0]=2 3152 B14R0.337 C=CCCCCSCCCCC(=O)OC 62a_100000204269_100011215482 [0,1,0,0,0,0|0,0,0]=1 3153 B14R0.337 C=CCCCCSCCCCC(=O)OC 62a_100011215482_100000204269 [0,1,0,0,0,0|0,0,0]=1 3154 B14R0.337 C=CCCCCSCCOCC(=O)OC 62a_100000090808_100011215482 [0,1,0,0,0,0|1,0,0]=2 3155 B14R0.337 C=CCCCCSCCOCC(=O)OC 62a_100011215482_100000090808 [0,1,0,0,0,0|1,0,0]=2 3156 B14R0.337 C=CCCCNCCCCCC(=O)OC 2230a_100000700776_100009816466 [0,1,0,0,0,0|0,0,0]=1 3157 B14R0.337 C=CCCCNCCCCCC(=O)OC 34a_100000700776_100009816466 [0,1,0,0,0,0|0,0,0]=1 3158 B14R0.337 C=CCCCOCCCCCC(=O)OC 34a_100000074720_100000757094 [0,1,0,0,0,0|0,0,0]=1 3159 B14R0.337 C=CCCCOCCCCCC(=O)OC 34a_100000758997_100009816466 [0,1,0,0,0,0|0,0,0]=1 3160 B14R0.337 C=CCCCOCCCCCC(=O)OC 7a_100000074720_100000757094 [0,1,0,0,0,0|0,0,0]=1 3161 B14R0.337 C=CCCCOCCCCCC(=O)OC 7a_100000758997_100009816466 [0,1,0,0,0,0|0,0,0]=1 3162 B14R0.337 C=CCCCOCCCCCC(C)CC 7a_200000035636_100000757094 [0,1,0,0,0,0|2,0,1]=4 3163 B14R0.337 C=CCCCOCCCCNC(=O)C=C 34a_100014118770_100000757094 [0,1,0,0,0,0|2,0,1]=4 3164 B14R0.337 C=CCCCSCCCCCC(=O)OC 62a_100009816466_100000757094 [0,1,0,0,0,0|0,0,0]=1 3165 B14R0.337 C=CCCCSCCCCCC(=O)OC 62a_100011713584_100009816466 [0,1,0,0,0,0|0,0,0]=1 3166 B14R0.337 C=CCCNCCCCCCC(=O)OC 2230a_100015191253_100009815986 [0,1,0,0,0,0|0,0,0]=1 3167 B14R0.337 C=CCCOCCCCCCC(=O)OC 34a_100009863599_100000754431 [0,1,0,0,0,0|0,0,0]=1 3168 B14R0.337 C=CCCOCCCCCCC(=O)OC 34a_100011205117_100009815986 [0,1,0,0,0,0|0,0,0]=1 3169 B14R0.337 C=CCCOCCCCCCC(=O)OC 7a_100009863599_100000754431 [0,1,0,0,0,0|0,0,0]=1 3170 B14R0.337 C=CCCOCCCCCOC(=O)C=C 7a_200011023508_100000754431 [0,1,0,0,0,0|2,0,1]=4 3171 B14R0.337 C=CCCSCCCCCCC(=O)OC 62a_100000754431_100009815986 [0,1,0,0,0,0|0,0,0]=1 3172 B14R0.337 C=CCCSCCCCCCC(=O)OC 62a_100009815986_100000754431 [0,1,0,0,0,0|0,0,0]=1 3173 B14R0.337 C=CCNCCCCCCCC(=O)OC 2230a_100020586998_100010004213 [0,1,0,0,0,0|0,0,0]=1 3174 B14R0.337 C=CCNCCCCCCOC(=O)C=C 2230a_100020586998_100009894100 [0,1,0,0,0,0|2,0,1]=4 3175 B14R0.337 C=CCOCCCCCCCC(=O)OC 34a_100011022521_100015514636 [0,1,0,0,0,0|0,0,0]=1 3176 B14R0.337 C=CCOCCCCCCCC(=O)OC 34a_200000210373_100010004213 [0,1,0,0,0,0|0,0,0]=1 3177 B14R0.337 C=CCOCCCCCCCC(=O)OC 7a_100011022521_100015514636 [0,1,0,0,0,0|0,0,0]=1 3178 B14R0.337 C=CCOCCCCCCOC(=O)C=C 34a_200000210373_100009894100 [0,1,0,0,0,0|2,0,1]=4 3179 B14R0.337 C=CCOCCOCCCCC(=O)OC 34a_100000037705_100000204269 [0,1,0,0,0,0|1,0,0]=2 3180 B14R0.337 C=CCOCCOCCCCC(=O)OC 7a_100000037705_100000204269 [0,1,0,0,0,0|1,0,0]=2 3181 B14R0.337 C=CCOCCOCCOCC(=O)CC 7a_100000065479_100000747405 [0,1,0,0,0,0|3,0,0]=4 3182 B14R0.337 C=CCOCCOCCOCC(=O)NC 34a_100000065479_100000183359 [0,1,0,0,0,0|3,0,0]=4 3183 B14R0.337 C=CCOCCOCCOCC(=O)NC 7a_100000065479_100000183359 [0,1,0,0,0,0|3,0,0]=4 3184 B14R0.337 C=CCOCCOCCOCC(=O)OC 34a_100000037705_100000090808 [0,1,0,0,0,0|2,0,0]=3 3185 B14R0.337 C=CCOCCOCCOCC(=O)OC 34a_100000065479_100000747449 [0,1,0,0,0,0|2,0,0]=3 3186 B14R0.337 C=CCOCCOCCOCC(=O)OC 34a_100011023656_100015514636 [0,1,0,0,0,0|2,0,0]=3 3187 B14R0.337 C=CCOCCOCCOCC(=O)OC 7a_100000037705_100000090808 [0,1,0,0,0,0|2,0,0]=3 3188 B14R0.337 C=CCOCCOCCOCC(=O)OC 7a_100000065479_100000747449 [0,1,0,0,0,0|2,0,0]=3 3189 B14R0.337 C=CCOCCOCCOCC(=O)OC 7a_100011023656_100015514636 [0,1,0,0,0,0|2,0,0]=3 3190 B14R0.337 C=CCSCCCCCCCC(=O)OC 62a_100000210623_100010004213 [0,1,0,0,0,0|0,0,0]=1 3191 B14R0.337 C=CCSCCCCCCCC(=O)OC 62a_100010004213_100000210623 [0,1,0,0,0,0|0,0,0]=1 3192 B14R0.337 C=CCSCCCCCCOC(=O)C=C 62a_100000210623_100009894100 [0,1,0,0,0,0|2,0,1]=4 3193 B14R0.337 C=CCSCCCCCCOC(=O)C=C 62a_100009894100_100000210623 [0,1,0,0,0,0|2,0,1]=4 3194 B14R0.337 C=COCCCCOC/C=C/C(=O)OC 34a_100000031558_100000742655 [0,1,0,0,0,0|1,0,2]=4 3195 B14R0.337 C=COCCCCOC/C=C/C(=O)OC 7a_100000031558_100000742655 [0,1,0,0,0,0|1,0,2]=4 3196 B14R0.337 C=COCCCCOCCCC(=O)NC 34a_100000031558_100000741757 [0,1,0,0,0,0|2,0,0]=3 3197 B14R0.337 C=COCCCCOCCCC(=O)NC 7a_100000031558_100000741757 [0,1,0,0,0,0|2,0,0]=3 3198 B14R0.337 C=COCCCCOCCCC(=O)OC 34a_100000031558_100000742333 [0,1,0,0,0,0|1,0,0]=2 3199 B14R0.337 C=COCCCCOCCCC(=O)OC 7a_100000031558_100011218270 [0,1,0,0,0,0|1,0,0]=2 3200 B14R0.337 C=COCCCCOCCOC(=O)NC 34a_100000031558_200011997002 [0,1,0,0,0,0|3,0,0]=4 3201 B14R0.337 C=COCCCCOCCOC(=O)NC 7a_100000031558_200011997002 [0,1,0,0,0,0|3,0,0]=4 3202 B14R0.337 C=COCCCNCCCCC(=O)OC 2230a_100000210767_100000204269 [0,1,0,0,0,0|1,0,0]=2 3203 B14R0.337 C=COCCCNCCCCC(=O)OC 34a_100000210767_100000204269 [0,1,0,0,0,0|1,0,0]=2 3204 B14R0.337 C=COCCCNCCOCC(=O)OC 2230a_100000210767_100000090808 [0,1,0,0,0,0|2,0,0]=3 3205 B14R0.337 C=COCCCNCCOCC(=O)OC 34a_100000210767_100000090808 [0,1,0,0,0,0|2,0,0]=3 3206 B14R0.337 C=COCCOCCCCCC(=O)OC 34a_100000033082_100009816466 [0,1,0,0,0,0|1,0,0]=2 3207 B14R0.337 C=COCCOCCCCCC(=O)OC 34a_100000074720_100000039644 [0,1,0,0,0,0|1,0,0]=2 3208 B14R0.337 C=COCCOCCCCCC(=O)OC 7a_100000074720_100000039644 [0,1,0,0,0,0|1,0,0]=2 3209 B14R0.337 C=COCCOCCOCCC(=O)NC 34a_100000039918_100012179268 [0,1,0,0,0,0|3,0,0]=4 3210 B14R0.337 C=COCCOCCOCCC(=O)NC 7a_100000039918_100000737683 [0,1,0,0,0,0|3,0,0]=4 3211 B14R0.337 C=COCCOCCOCCC(=O)OC 34a_100000039918_100000742370 [0,1,0,0,0,0|2,0,0]=3 3212 B14R0.337 C=COCCOCCOCCC(=O)OC 7a_100000039918_100000204255 [0,1,0,0,0,0|2,0,0]=3 3213 B14R0.337 C=COCCSCCCCCC(=O)OC 62a_100000039644_100009816466 [0,1,0,0,0,0|1,0,0]=2 3214 B14R0.337 C=COCCSCCCCCC(=O)OC 62a_100009816466_100000039644 [0,1,0,0,0,0|1,0,0]=2 3215 B14R0.337 CC#CCCOCCCCCC(=O)OC 34a_100000750427_100009816466 [0,1,0,0,0,0|0,0,3]=4 3216 B14R0.337 CC#CCNCCCCCCC(=O)OC 2230a_100000685387_100009815986 [0,1,0,0,0,0|0,0,3]=4 3217 B14R0.337 CC#CCNCCCCCCC(=O)OC 34a_100000685387_100009815986 [0,1,0,0,0,0|0,0,3]=4 3218 B14R0.337 CC#CCOCCCCCCC(=O)OC 34a_100000761923_100009815986 [0,1,0,0,0,0|0,0,3]=4 3219 B14R0.337 CC#CCOCCCCCCC(=O)OC 34a_100009863599_100000748600 [0,1,0,0,0,0|0,0,3]=4 3220 B14R0.337 CC#CCOCCCCCCC(=O)OC 7a_100009863599_100000748600 [0,1,0,0,0,0|0,0,3]=4 3221 B14R0.337 CC#CCSCCCCCCC(=O)OC 62a_100000748600_100009815986 [0,1,0,0,0,0|0,0,3]=4 3222 B14R0.337 CC#CCSCCCCCCC(=O)OC 62a_100009815986_100000748600 [0,1,0,0,0,0|0,0,3]=4 3223 B14R0.337 CC/C=C/CCCOCCCC(=O)OC 34a_100016287902_100000742333 [0,1,0,0,0,0|1,0,2]=4 3224 B14R0.337 CC/C=C/CCCOCCCC(=O)OC 7a_100016287902_100011218270 [0,1,0,0,0,0|1,0,2]=4 3225 B14R0.337 CC/C=C\CCCCCOCC(=O)OC 34a_100016268722_100000747449 [0,1,0,0,0,0|1,0,2]=4 3226 B14R0.337 CC/C=C\CCCCCOCC(=O)OC 7a_100016268722_100000747449 [0,1,0,0,0,0|1,0,2]=4 3227 B14R0.337 CC/C=C\CCCCOCCC(=O)OC 34a_100016287862_100000742370 [0,1,0,0,0,0|1,0,2]=4 3228 B14R0.337 CC/C=C\CCCCOCCC(=O)OC 7a_100016287862_100000204255 [0,1,0,0,0,0|1,0,2]=4 3229 B14R0.337 CC/C=C\CCOCCCCC(=O)OC 34a_100000059025_100015370543 [0,1,0,0,0,0|1,0,2]=4 3230 B14R0.337 CC/C=C\CCOCCCCC(=O)OC 34a_100016288707_100000204269 [0,1,0,0,0,0|1,0,2]=4 3231 B14R0.337 CC/C=C\CCOCCCCC(=O)OC 7a_100000059025_100015370543 [0,1,0,0,0,0|1,0,2]=4 3232 B14R0.337 CC/C=C\CCOCCCCC(=O)OC 7a_100016288707_100000204269 [0,1,0,0,0,0|1,0,2]=4 3233 B14R0.337 CC/C=C\CCSCCCCC(=O)OC 62a_100000204269_100015370543 [0,1,0,0,0,0|1,0,2]=4 3234 B14R0.337 CC/C=C\CCSCCCCC(=O)OC 62a_100015370543_100000204269 [0,1,0,0,0,0|1,0,2]=4 3235 B14R0.337 CC/C=C\COCCCCCC(=O)OC 34a_100000074720_100103147603 [0,1,0,0,0,0|1,0,2]=4 3236 B14R0.337 CC/C=C\COCCCCCC(=O)OC 34a_100016268518_100009816466 [0,1,0,0,0,0|1,0,2]=4 3237 B14R0.337 CC/C=C\COCCCCCC(=O)OC 7a_100000074720_100103147603 [0,1,0,0,0,0|1,0,2]=4 3238 B14R0.337 CC/C=C\CSCCCCCC(=O)OC 62a_100009816466_100103147603 [0,1,0,0,0,0|1,0,2]=4 3239 B14R0.337 CC/C=C\CSCCCCCC(=O)OC 62a_100103147603_100009816466 [0,1,0,0,0,0|1,0,2]=4 3240 B14R0.337 CC=C=CCCOCCCCC(=O)OC 34a_100011020354_100000204269 [0,1,0,0,0,0|0,0,3]=4 3241 B14R0.337 CC=CCCCOCCCCC(=O)OC 34a_100020645299_100000204269 [0,1,0,0,0,0|1,0,0]=2 3242 B14R0.337 CC=CCCCOCCOCC(=O)OC 34a_100020645299_100000090808 [0,1,0,0,0,0|2,0,0]=3 3243 B14R0.337 CC=CCOCCCCCCC(=O)OC 34a_100009863599_100000070051 [0,1,0,0,0,0|1,0,0]=2 3244 B14R0.337 CC=CCOCCCCCCC(=O)OC 7a_100009863599_100000070051 [0,1,0,0,0,0|1,0,0]=2 3245 B14R0.337 CC=CCSCCCCCCC(=O)OC 62a_100000070051_100009815986 [0,1,0,0,0,0|1,0,0]=2 3246 B14R0.337 CC=CCSCCCCCCC(=O)OC 62a_100009815986_100000070051 [0,1,0,0,0,0|1,0,0]=2 3247 B14R0.337 CCC(=O)CCCCCCCCCCO 1458a_100000210414_100009813290 [0,1,0,0,0,0|1,0,2]=4 3248 B14R0.337 CCC(=O)COCCCCCCCCBr 7a_100009813846_100000747405 [0,1,0,0,0,0|2,0,1]=4 3249 B14R0.337 CCC(=O)COCCCCCCCCCl 7a_100000033203_100000747405 [0,1,0,0,0,0|2,0,1]=4 3250 B14R0.337 CCC(=O)COCCCCCCCCO 34a_100000725409_100000033203 [0,1,0,0,0,0|2,0,1]=4 3251 B14R0.337 CCC(=O)CSCCCCCCCCO 62a_100000033203_100000747405 [0,1,0,0,0,0|2,0,1]=4 3252 B14R0.337 CCC(=O)CSCCCCCCCCO 62a_100000747405_100000033203 [0,1,0,0,0,0|2,0,1]=4 3253 B14R0.337 CCC(=O)NCCCCCCCCCO 240690a_100000078944_100000210414 [0,1,0,0,0,0|2,0,1]=4 3254 B14R0.337 CCC(=O)NCCOCCCCCC=O 7a_200000158885_100000139337 [0,1,0,0,0,0|3,0,0]=4 3255 B14R0.337 CCC(=O)OCCOCCCCCC=O 7a_200000031056_100000139337 [0,1,0,0,0,0|3,0,0]=4 3256 B14R0.337 CCCCCCCCCCCC(=O)CC 1458a_100000210414_100011215454 [0,1,0,0,0,0|1,0,2]=4 3257 B14R0.337 CCCCCCCCCCCC(=O)CC 1458a_100000210736_100000210202 [0,1,0,0,0,0|1,0,2]=4 3258 B14R0.337 CCCCCCCCCCCC(=O)NC 11a_106832991635_100000210736 [0,1,0,0,0,0|1,0,2]=4 3259 B14R0.337 CCCCCCCCCCCC(=O)NC 1626a_100102657272_100000210736 [0,1,0,0,0,0|1,0,2]=4 3260 B14R0.337 CCCCCCCCCCCC(=O)NC 240690a_100102657272_100000210736 [0,1,0,0,0,0|1,0,2]=4 3261 B14R0.337 CCCCCCCCCCNC(=O)CC 11a_100000684558_100000210414 [0,1,0,0,0,0|1,0,2]=4 3262 B14R0.337 CCCCCCCCCCNC(=O)CC 1626a_100000684558_100000210414 [0,1,0,0,0,0|1,0,2]=4 3263 B14R0.337 CCCCCCCCCCNC(=O)CC 240690a_100000684558_100000210414 [0,1,0,0,0,0|1,0,2]=4 3264 B14R0.337 CCCCCCCCCCNC(=O)CC 527a_100000684558_100000210414 [0,1,0,0,0,0|1,0,2]=4 3265 B14R0.337 CCCCCCCCCCNC(=O)NC 2708a_100000684558_106832991635 [0,1,0,0,0,0|1,0,2]=4 3266 B14R0.337 CCCCCCCCCCNC(=O)NC 2708a_100102657272_100000684558 [0,1,0,0,0,0|1,0,2]=4 3267 B14R0.337 CCCCCCCCCCNC(=O)NC 273464a_100000684558_100102657272 [0,1,0,0,0,0|1,0,2]=4 3268 B14R0.337 CCCCCCCCCCNC(=O)NC 273464a_100102657272_100000684558 [0,1,0,0,0,0|1,0,2]=4 3269 B14R0.337 CCCCCCCCCCNC(=O)NC 512a_100000684558_100102657272 [0,1,0,0,0,0|1,0,2]=4 3270 B14R0.337 CCCCCCCCCCNC(=O)NC 512a_106832991638_100000684558 [0,1,0,0,0,0|1,0,2]=4 3271 B14R0.337 CCCCCCCCCNCC(=O)NC 2230a_100000212291_100000183359 [0,1,0,0,0,0|1,0,2]=4 3272 B14R0.337 CCCCCCCCCNCC(=O)NC 2230a_100000693194_100011214924 [0,1,0,0,0,0|1,0,2]=4 3273 B14R0.337 CCCCCCCCCNCC(=O)NC 34a_100000212291_100000183359 [0,1,0,0,0,0|1,0,2]=4 3274 B14R0.337 CCCCCCCCCNCC(=O)OC 2230a_100000212291_100000747449 [0,1,0,0,0,0|0,0,2]=3 3275 B14R0.337 CCCCCCCCCNCC(=O)OC 34a_100000212291_100000747449 [0,1,0,0,0,0|0,0,2]=3 3276 B14R0.337 CCCCCCCCCOCC(=O)CC 34a_100000725409_100011214924 [0,1,0,0,0,0|1,0,2]=4 3277 B14R0.337 CCCCCCCCCOCC(=O)CC 7a_100000210712_100000747405 [0,1,0,0,0,0|1,0,2]=4 3278 B14R0.337 CCCCCCCCCOCC(=O)NC 34a_100000210712_100000183359 [0,1,0,0,0,0|1,0,2]=4 3279 B14R0.337 CCCCCCCCCOCC(=O)NC 34a_100000750040_100011214924 [0,1,0,0,0,0|1,0,2]=4 3280 B14R0.337 CCCCCCCCCOCC(=O)NC 7a_100000210712_100000183359 [0,1,0,0,0,0|1,0,2]=4 3281 B14R0.337 CCCCCCCCCOCC(=O)OC 34a_100000210712_100000747449 [0,1,0,0,0,0|0,0,2]=3 3282 B14R0.337 CCCCCCCCCOCC(=O)OC 7a_100000210712_100000747449 [0,1,0,0,0,0|0,0,2]=3 3283 B14R0.337 CCCCCCCCCSCC(=O)CC 62a_100000747405_100000210670 [0,1,0,0,0,0|1,0,2]=4 3284 B14R0.337 CCCCCCCCCSCC(=O)NC 62a_100000183359_100000210670 [0,1,0,0,0,0|1,0,2]=4 3285 B14R0.337 CCCCCCCCCSCC(=O)OC 62a_100000747449_100000210670 [0,1,0,0,0,0|0,0,2]=3 3286 B14R0.337 CCCCCCCCNCCC(=O)NC 2230a_100000229939_100000737683 [0,1,0,0,0,0|1,0,2]=4 3287 B14R0.337 CCCCCCCCNCCC(=O)NC 2230a_100000738227_100000210759 [0,1,0,0,0,0|1,0,2]=4 3288 B14R0.337 CCCCCCCCNCCC(=O)NC 34a_100000229939_100012179268 [0,1,0,0,0,0|1,0,2]=4 3289 B14R0.337 CCCCCCCCNCCC(=O)NC 34a_100000738227_100000210759 [0,1,0,0,0,0|1,0,2]=4 3290 B14R0.337 CCCCCCCCNCCC(=O)OC 2230a_100000229939_100000204255 [0,1,0,0,0,0|0,0,2]=3 3291 B14R0.337 CCCCCCCCNCCC(=O)OC 34a_100000229939_100000742370 [0,1,0,0,0,0|0,0,2]=3 3292 B14R0.337 CCCCCCCCOCCC(=O)NC 34a_100000210232_100012179268 [0,1,0,0,0,0|1,0,2]=4 3293 B14R0.337 CCCCCCCCOCCC(=O)NC 34a_100000754576_100000210759 [0,1,0,0,0,0|1,0,2]=4 3294 B14R0.337 CCCCCCCCOCCC(=O)NC 7a_100000210232_100000737683 [0,1,0,0,0,0|1,0,2]=4 3295 B14R0.337 CCCCCCCCOCCC(=O)OC 34a_100000210232_100000742370 [0,1,0,0,0,0|0,0,2]=3 3296 B14R0.337 CCCCCCCCOCCC(=O)OC 7a_100000210232_100000204255 [0,1,0,0,0,0|0,0,2]=3 3297 B14R0.337 CCCCCCCCSCCC(=O)NC 62a_100000210759_100000737683 [0,1,0,0,0,0|1,0,2]=4 3298 B14R0.337 CCCCCCCCSCCC(=O)NC 62a_100000737683_100000210317 [0,1,0,0,0,0|1,0,2]=4 3299 B14R0.337 CCCCCCCCSCCC(=O)OC 62a_100000204255_100000210317 [0,1,0,0,0,0|0,0,2]=3 3300 B14R0.337 CCCCCCCCSCCC(=O)OC 62a_100000210759_100000204255 [0,1,0,0,0,0|0,0,2]=3 3301 B14R0.337 CCCCCCCCSCOC(=O)OC 62a_100000210759_100000139417 [0,1,0,0,0,0|1,0,2]=4 3302 B14R0.337 CCCCCCCNCCCC(=O)NC 2230a_100000229938_100000741757 [0,1,0,0,0,0|1,0,2]=4 3303 B14R0.337 CCCCCCCNCCCC(=O)NC 2230a_100000740002_100000210681 [0,1,0,0,0,0|1,0,2]=4 3304 B14R0.337 CCCCCCCNCCCC(=O)NC 34a_100000740002_100000210614 [0,1,0,0,0,0|1,0,2]=4 3305 B14R0.337 CCCCCCCNCCCC(=O)OC 2230a_100000229938_100011218270 [0,1,0,0,0,0|0,0,2]=3 3306 B14R0.337 CCCCCCCOCCCC(=O)NC 34a_100000210272_100000741757 [0,1,0,0,0,0|1,0,2]=4 3307 B14R0.337 CCCCCCCOCCCC(=O)NC 7a_100000210272_100000741757 [0,1,0,0,0,0|1,0,2]=4 3308 B14R0.337 CCCCCCCOCCCC(=O)OC 34a_100000210272_100000742333 [0,1,0,0,0,0|0,0,2]=3 3309 B14R0.337 CCCCCCCOCCCC(=O)OC 7a_100000210272_100011218270 [0,1,0,0,0,0|0,0,2]=3 3310 B14R0.337 CCCCCCCOCCNC(=O)OC 34a_100000757965_100000210614 [0,1,0,0,0,0|1,0,2]=4 3311 B14R0.337 CCCCCCCOCCOC(=O)OC 34a_100010262106_100000210614 [0,1,0,0,0,0|1,0,2]=4 3312 B14R0.337 CCCCCCCSCCCC(=O)NC 62a_100000210614_100000741757 [0,1,0,0,0,0|1,0,2]=4 3313 B14R0.337 CCCCCCCSCCCC(=O)NC 62a_100000741757_100000210316 [0,1,0,0,0,0|1,0,2]=4 3314 B14R0.337 CCCCCCCSCCCC(=O)OC 62a_100000210614_100011218270 [0,1,0,0,0,0|0,0,2]=3 3315 B14R0.337 CCCCCCCSCCCC(=O)OC 62a_100011218270_100000210316 [0,1,0,0,0,0|0,0,2]=3 3316 B14R0.337 CCCCCCNCCCCC(=O)OC 2230a_100000210581_100000204269 [0,1,0,0,0,0|0,0,2]=3 3317 B14R0.337 CCCCCCNCCOCC(=O)OC 2230a_100000210581_100000090808 [0,1,0,0,0,0|1,0,2]=4 3318 B14R0.337 CCCCCCOCCCCC(=O)OC 34a_100000059025_100000210314 [0,1,0,0,0,0|0,0,2]=3 3319 B14R0.337 CCCCCCOCCCCC(=O)OC 34a_100000210259_100000204269 [0,1,0,0,0,0|0,0,2]=3 3320 B14R0.337 CCCCCCOCCCCC(=O)OC 7a_100000059025_100000210314 [0,1,0,0,0,0|0,0,2]=3 3321 B14R0.337 CCCCCCOCCCCC(=O)OC 7a_100000210259_100000204269 [0,1,0,0,0,0|0,0,2]=3 3322 B14R0.337 CCCCCCOCCOCC(=O)OC 34a_100000210259_100000090808 [0,1,0,0,0,0|1,0,2]=4 3323 B14R0.337 CCCCCCOCCOCC(=O)OC 34a_100000691444_100000747449 [0,1,0,0,0,0|1,0,2]=4 3324 B14R0.337 CCCCCCOCCOCC(=O)OC 7a_100000210259_100000090808 [0,1,0,0,0,0|1,0,2]=4 3325 B14R0.337 CCCCCCOCCOCC(=O)OC 7a_100000691444_100000747449 [0,1,0,0,0,0|1,0,2]=4 3326 B14R0.337 CCCCCCSCCCCC(=O)OC 62a_100000204269_100000210757 [0,1,0,0,0,0|0,0,2]=3 3327 B14R0.337 CCCCCCSCCCCC(=O)OC 62a_100000210314_100000204269 [0,1,0,0,0,0|0,0,2]=3 3328 B14R0.337 CCCCCCSCCOCC(=O)OC 62a_100000090808_100000210757 [0,1,0,0,0,0|1,0,2]=4 3329 B14R0.337 CCCCCCSCCOCC(=O)OC 62a_100000210314_100000090808 [0,1,0,0,0,0|1,0,2]=4 3330 B14R0.337 CCCCCNCCCCCC(=O)OC 2230a_100000209983_100009816466 [0,1,0,0,0,0|0,0,2]=3 3331 B14R0.337 CCCCCNCCOCCC(=O)OC 34a_100000224656_100000742370 [0,1,0,0,0,0|1,0,2]=4 3332 B14R0.337 CCCCCOCCCCCC(=O)OC 34a_100000074720_100000718602 [0,1,0,0,0,0|0,0,2]=3 3333 B14R0.337 CCCCCOCCCCCC(=O)OC 34a_100000210253_100009816466 [0,1,0,0,0,0|0,0,2]=3 3334 B14R0.337 CCCCCOCCCCCC(=O)OC 7a_100000074720_100000210326 [0,1,0,0,0,0|0,0,2]=3 3335 B14R0.337 CCCCCOCCCCCC(=O)OC 7a_100000210253_100009816466 [0,1,0,0,0,0|0,0,2]=3 3336 B14R0.337 CCCCCOCCOCCC(=O)OC 34a_100011215259_100000742370 [0,1,0,0,0,0|1,0,2]=4 3337 B14R0.337 CCCCCOCCOCCC(=O)OC 7a_100011215259_100000204255 [0,1,0,0,0,0|1,0,2]=4 3338 B14R0.337 CCCCCSCCCCCC(=O)OC 62a_100000210326_100009816466 [0,1,0,0,0,0|0,0,2]=3 3339 B14R0.337 CCCCCSCCCCCC(=O)OC 62a_100009816466_100000210326 [0,1,0,0,0,0|0,0,2]=3 3340 B14R0.337 CCCCNCCCCCCC(=O)OC 2230a_100000102301_100009815986 [0,1,0,0,0,0|0,0,2]=3 3341 B14R0.337 CCCCNCCCCCCC(=O)OC 7a_106832991798_100009815986 [0,1,0,0,0,0|0,0,2]=3 3342 B14R0.337 CCCCNCCCCOCC(=O)OC 34a_200011216965_100000747449 [0,1,0,0,0,0|1,0,2]=4 3343 B14R0.337 CCCCOCCCCCCC(=O)OC 34a_100000210227_100009815986 [0,1,0,0,0,0|0,0,2]=3 3344 B14R0.337 CCCCOCCCCCCC(=O)OC 34a_100009863599_100000210210 [0,1,0,0,0,0|0,0,2]=3 3345 B14R0.337 CCCCOCCCCCCC(=O)OC 7a_100000210227_100009815986 [0,1,0,0,0,0|0,0,2]=3 3346 B14R0.337 CCCCOCCCCCCC(=O)OC 7a_100009863599_100000210211 [0,1,0,0,0,0|0,0,2]=3 3347 B14R0.337 CCCCOCCCCOCC(=O)OC 34a_200000760531_100000747449 [0,1,0,0,0,0|1,0,2]=4 3348 B14R0.337 CCCCOCCCCOCC(=O)OC 7a_200000760531_100000747449 [0,1,0,0,0,0|1,0,2]=4 3349 B14R0.337 CCCCOCCCNCCC(=O)OC 2230a_200000211371_100000204255 [0,1,0,0,0,0|1,0,2]=4 3350 B14R0.337 CCCCOCCCNCCC(=O)OC 34a_200000211371_100000742370 [0,1,0,0,0,0|1,0,2]=4 3351 B14R0.337 CCCCOCCCOCCC(=O)OC 34a_200011215613_100000742370 [0,1,0,0,0,0|1,0,2]=4 3352 B14R0.337 CCCCOCCCOCCC(=O)OC 7a_200011215613_100000204255 [0,1,0,0,0,0|1,0,2]=4 3353 B14R0.337 CCCCOCCOCCCC(=O)OC 34a_100000210238_100000742333 [0,1,0,0,0,0|1,0,2]=4 3354 B14R0.337 CCCCOCCOCCCC(=O)OC 7a_100000210238_100011218270 [0,1,0,0,0,0|1,0,2]=4 3355 B14R0.337 CCCCOCCSCCCC(=O)OC 62a_100000743108_100011218270 [0,1,0,0,0,0|1,0,2]=4 3356 B14R0.337 CCCCOCCSCCCC(=O)OC 62a_100011218270_100000743108 [0,1,0,0,0,0|1,0,2]=4 3357 B14R0.337 CCCCOCOCCCCC(=O)OC 34a_100000059025_100011995733 [0,1,0,0,0,0|1,0,2]=4 3358 B14R0.337 CCCCOCSCCCCC(=O)OC 62a_100000204269_100011995733 [0,1,0,0,0,0|1,0,2]=4 3359 B14R0.337 CCCCOCSCCCCC(=O)OC 62a_100011995733_100000204269 [0,1,0,0,0,0|1,0,2]=4 3360 B14R0.337 CCCCSCCCCCCC(=O)OC 62a_100000210211_100009815986 [0,1,0,0,0,0|0,0,2]=3 3361 B14R0.337 CCCCSCCCCCCC(=O)OC 62a_100009815986_100000210210 [0,1,0,0,0,0|0,0,2]=3 3362 B14R0.337 CCCCSCCNCCCC(=O)OC 2230a_100025743550_100011218270 [0,1,0,0,0,0|1,0,2]=4 3363 B14R0.337 CCCCSCCOCCCC(=O)OC 34a_200000230436_100000742333 [0,1,0,0,0,0|1,0,2]=4 3364 B14R0.337 CCCCSCCOCCCC(=O)OC 7a_200000230436_100011218270 [0,1,0,0,0,0|1,0,2]=4 3365 B14R0.337 CCCOCCCCCCCC(=O)OC 34a_100000210258_100010004213 [0,1,0,0,0,0|0,0,2]=3 3366 B14R0.337 CCCOCCCCCCCC(=O)OC 34a_100011022521_100000210303 [0,1,0,0,0,0|0,0,2]=3 3367 B14R0.337 CCCOCCCCCCCC(=O)OC 7a_100011022521_100000210303 [0,1,0,0,0,0|0,0,2]=3 3368 B14R0.337 CCCOCCCNCCCC(=O)OC 2230a_100011217757_100011218270 [0,1,0,0,0,0|1,0,2]=4 3369 B14R0.337 CCCOCCCNCCCC(=O)OC 34a_100011217757_100000742333 [0,1,0,0,0,0|1,0,2]=4 3370 B14R0.337 CCCOCCNCCCCC(=O)OC 2230a_100161115042_100000204269 [0,1,0,0,0,0|1,0,2]=4 3371 B14R0.337 CCCOCCNCCCCC(=O)OC 34a_100161115042_100000204269 [0,1,0,0,0,0|1,0,2]=4 3372 B14R0.337 CCCOCCOCCCCC(=O)OC 34a_100000059025_100011215938 [0,1,0,0,0,0|1,0,2]=4 3373 B14R0.337 CCCOCCOCCCCC(=O)OC 34a_100000752267_100000204269 [0,1,0,0,0,0|1,0,2]=4 3374 B14R0.337 CCCOCCOCCCCC(=O)OC 7a_100000059025_100011215938 [0,1,0,0,0,0|1,0,2]=4 3375 B14R0.337 CCCOCCOCCCCC(=O)OC 7a_100000752267_100000204269 [0,1,0,0,0,0|1,0,2]=4 3376 B14R0.337 CCCOCCSCCCCC(=O)OC 62a_100000204269_100011215938 [0,1,0,0,0,0|1,0,2]=4 3377 B14R0.337 CCCOCCSCCCCC(=O)OC 62a_100011215938_100000204269 [0,1,0,0,0,0|1,0,2]=4 3378 B14R0.337 CCCSCCCCCCCC(=O)OC 62a_100000210303_100010004213 [0,1,0,0,0,0|0,0,2]=3 3379 B14R0.337 CCCSCCCCCCCC(=O)OC 62a_100010004213_100000210303 [0,1,0,0,0,0|0,0,2]=3 3380 B14R0.337 CCCSCCNCCCCC(=O)OC 2230a_100020603323_100000204269 [0,1,0,0,0,0|1,0,2]=4 3381 B14R0.337 CCCSCCOCCCCC(=O)OC 34a_200000230433_100000204269 [0,1,0,0,0,0|1,0,2]=4 3382 B14R0.337 CCCSCCOCCCCC(=O)OC 7a_200000230433_100000204269 [0,1,0,0,0,0|1,0,2]=4 3383 B14R0.337 CCNCCCCCCCCC(=O)OC 2230a_100015525214_100010282707 [0,1,0,0,0,0|0,0,2]=3 3384 B14R0.337 CCOCCCCCCCCC(=O)OC 34a_100000035544_100000210202 [0,1,0,0,0,0|0,0,2]=3 3385 B14R0.337 CCOCCCCCCCCC(=O)OC 34a_100121572206_100010282707 [0,1,0,0,0,0|0,0,2]=3 3386 B14R0.337 CCOCCCCCCCCC(=O)OC 7a_100000035544_100000210202 [0,1,0,0,0,0|0,0,2]=3 3387 B14R0.337 CCOCCCNCCCCC(=O)OC 2230a_100000210961_100000204269 [0,1,0,0,0,0|1,0,2]=4 3388 B14R0.337 CCOCCCNCCCCC(=O)OC 34a_100000210961_100000204269 [0,1,0,0,0,0|1,0,2]=4 3389 B14R0.337 CCOCCCOCCCCC(=O)OC 34a_100000059025_100012232248 [0,1,0,0,0,0|1,0,2]=4 3390 B14R0.337 CCOCCCOCCCCC(=O)OC 34a_100000757476_100000204269 [0,1,0,0,0,0|1,0,2]=4 3391 B14R0.337 CCOCCCOCCCCC(=O)OC 7a_100000059025_100012232248 [0,1,0,0,0,0|1,0,2]=4 3392 B14R0.337 CCOCCCOCCCCC(=O)OC 7a_100000757476_100000204269 [0,1,0,0,0,0|1,0,2]=4 3393 B14R0.337 CCOCCCSCCCCC(=O)OC 62a_100000204269_100012232248 [0,1,0,0,0,0|1,0,2]=4 3394 B14R0.337 CCOCCCSCCCCC(=O)OC 62a_100012232248_100000204269 [0,1,0,0,0,0|1,0,2]=4 3395 B14R0.337 CCOCCNCCCCCC(=O)OC 2230a_102516460346_100009816466 [0,1,0,0,0,0|1,0,2]=4 3396 B14R0.337 CCOCCNCCCCCC(=O)OC 34a_102516460346_100009816466 [0,1,0,0,0,0|1,0,2]=4 3397 B14R0.337 CCOCCOCCCCCC(=O)OC 34a_100000074720_100000210147 [0,1,0,0,0,0|1,0,2]=4 3398 B14R0.337 CCOCCOCCCCCC(=O)OC 34a_100000210136_100009816466 [0,1,0,0,0,0|1,0,2]=4 3399 B14R0.337 CCOCCOCCCCCC(=O)OC 7a_100000074720_100011215890 [0,1,0,0,0,0|1,0,2]=4 3400 B14R0.337 CCOCCOCCCCCC(=O)OC 7a_100000210136_100009816466 [0,1,0,0,0,0|1,0,2]=4 3401 B14R0.337 CCOCCSCCCCCC(=O)OC 62a_100000210147_100009816466 [0,1,0,0,0,0|1,0,2]=4 3402 B14R0.337 CCOCCSCCCCCC(=O)OC 62a_100009816466_100011215890 [0,1,0,0,0,0|1,0,2]=4 3403 B14R0.337 CCOCSCCCCCCC(=O)OC 62a_100000739092_100009815986 [0,1,0,0,0,0|1,0,2]=4 3404 B14R0.337 CCOCSCCCCCCC(=O)OC 62a_100009815986_100000739092 [0,1,0,0,0,0|1,0,2]=4 3405 B14R0.337 CCSCCCCCCCCC(=O)OC 62a_100000210202_100010282707 [0,1,0,0,0,0|0,0,2]=3 3406 B14R0.337 CCSCCCCCCCCC(=O)OC 62a_100010282707_100000210202 [0,1,0,0,0,0|0,0,2]=3 3407 B14R0.337 CCSCCCOCCCCC(=O)OC 34a_100011216438_100000204269 [0,1,0,0,0,0|1,0,2]=4 3408 B14R0.337 CCSCCCOCCCCC(=O)OC 7a_100011216438_100000204269 [0,1,0,0,0,0|1,0,2]=4 3409 B14R0.337 CCSCCNCCCCCC(=O)OC 2230a_100000106463_100009816466 [0,1,0,0,0,0|1,0,2]=4 3410 B14R0.337 CCSCCOCCCCCC(=O)OC 34a_100000074720_100000757381 [0,1,0,0,0,0|1,0,2]=4 3411 B14R0.337 CCSCCOCCCCCC(=O)OC 34a_100000212035_100009816466 [0,1,0,0,0,0|1,0,2]=4 3412 B14R0.337 CCSCCOCCCCCC(=O)OC 7a_100000074720_100000757381 [0,1,0,0,0,0|1,0,2]=4 3413 B14R0.337 CCSCCOCCCCCC(=O)OC 7a_100000212035_100009816466 [0,1,0,0,0,0|1,0,2]=4 3414 B14R0.337 CCSCCSCCCCCC(=O)OC 62a_100000757381_100009816466 [0,1,0,0,0,0|1,0,2]=4 3415 B14R0.337 CCSCCSCCCCCC(=O)OC 62a_100009816466_100000757381 [0,1,0,0,0,0|1,0,2]=4 3416 B14R0.337 CNC(=O)CCCCCCCCCCO 240690a_100102657272_200000016029 [0,1,0,0,0,0|1,0,2]=4 3417 B14R0.337 CNC(=O)CCCNCCCCCC#N 2230a_100000740002_100009813376 [0,1,0,0,0,0|2,0,1]=4 3418 B14R0.337 CNC(=O)CCCNCCCCCC=O 2230a_100000740002_100000139337 [0,1,0,0,0,0|2,0,0]=3 3419 B14R0.337 CNC(=O)CCCNCCCCCCF 2230a_100000740002_100015922095 [0,1,0,0,0,0|2,0,1]=4 3420 B14R0.337 CNC(=O)CCCNCCCCCCF 34a_100000740002_100015922095 [0,1,0,0,0,0|2,0,1]=4 3421 B14R0.337 CNC(=O)CCCNCCCCCCO 2230a_100000686447_100000741757 [0,1,0,0,0,0|2,0,1]=4 3422 B14R0.337 CNC(=O)CCCNCCCCCCO 2230a_100000740002_100000766143 [0,1,0,0,0,0|2,0,1]=4 3423 B14R0.337 CNC(=O)CCCNCCCCCCO 34a_100000686447_100000741757 [0,1,0,0,0,0|2,0,1]=4 3424 B14R0.337 CNC(=O)CCCNCCCCCCO 34a_100000740002_100000766143 [0,1,0,0,0,0|2,0,1]=4 3425 B14R0.337 CNC(=O)CCCNCCCCCOC 2230a_100000747528_100000741757 [0,1,0,0,0,0|2,0,1]=4 3426 B14R0.337 CNC(=O)CCCNCCCCCOC 34a_100000747528_100000741757 [0,1,0,0,0,0|2,0,1]=4 3427 B14R0.337 CNC(=O)CCCOCCCCCCBr 34a_100011215345_100000741757 [0,1,0,0,0,0|2,0,1]=4 3428 B14R0.337 CNC(=O)CCCOCCCCCCBr 7a_100011215345_100000741757 [0,1,0,0,0,0|2,0,1]=4 3429 B14R0.337 CNC(=O)CCCOCCCCCCCl 34a_100000766143_100000741757 [0,1,0,0,0,0|2,0,1]=4 3430 B14R0.337 CNC(=O)CCCOCCCCCCCl 7a_100000766143_100000741757 [0,1,0,0,0,0|2,0,1]=4 3431 B14R0.337 CNC(=O)CCCOCCCCCCF 34a_100000732779_100000741757 [0,1,0,0,0,0|2,0,1]=4 3432 B14R0.337 CNC(=O)CCCOCCCCCCF 7a_100000732779_100000741757 [0,1,0,0,0,0|2,0,1]=4 3433 B14R0.337 CNC(=O)CCCOCCCCCCN 34a_100000686447_100000741757 [0,1,0,0,0,0|2,0,1]=4 3434 B14R0.337 CNC(=O)CCCSCCCCCC#N 62a_100000741757_100009813376 [0,1,0,0,0,0|2,0,1]=4 3435 B14R0.337 CNC(=O)CCCSCCCCCC#N 62a_100009813376_100000741757 [0,1,0,0,0,0|2,0,1]=4 3436 B14R0.337 CNC(=O)CCCSCCCCCC=O 62a_100000139337_100000741757 [0,1,0,0,0,0|2,0,0]=3 3437 B14R0.337 CNC(=O)CCCSCCCCCC=O 62a_100000741757_100000139337 [0,1,0,0,0,0|2,0,0]=3 3438 B14R0.337 CNC(=O)CCCSCCCCCCF 62a_100000741757_100015922095 [0,1,0,0,0,0|2,0,1]=4 3439 B14R0.337 CNC(=O)CCCSCCCCCCF 62a_100015922095_100000741757 [0,1,0,0,0,0|2,0,1]=4 3440 B14R0.337 CNC(=O)CCCSCCCCCCO 62a_100000741757_100000766143 [0,1,0,0,0,0|2,0,1]=4 3441 B14R0.337 CNC(=O)CCCSCCCCCCO 62a_100000766143_100000741757 [0,1,0,0,0,0|2,0,1]=4 3442 B14R0.337 CNC(=O)CCNCCCCCCC#N 2230a_100000738227_100009813337 [0,1,0,0,0,0|2,0,1]=4 3443 B14R0.337 CNC(=O)CCNCCCCCCCO 2230a_100000738227_100000760002 [0,1,0,0,0,0|2,0,1]=4 3444 B14R0.337 CNC(=O)CCNCCCCCCCO 2230a_100011996573_100000737683 [0,1,0,0,0,0|2,0,1]=4 3445 B14R0.337 CNC(=O)CCNCCCCCCCO 34a_100000738227_100000760002 [0,1,0,0,0,0|2,0,1]=4 3446 B14R0.337 CNC(=O)CCNCCCCCCCO 34a_100011996573_100012179268 [0,1,0,0,0,0|2,0,1]=4 3447 B14R0.337 CNC(=O)CCNCCCCCCOC 2230a_100000738227_100011998445 [0,1,0,0,0,0|2,0,1]=4 3448 B14R0.337 CNC(=O)CCNCCCCCCOC 34a_100000738227_100011998445 [0,1,0,0,0,0|2,0,1]=4 3449 B14R0.337 CNC(=O)CCOCCCCCCCBr 34a_100000760002_100012179268 [0,1,0,0,0,0|2,0,1]=4 3450 B14R0.337 CNC(=O)CCOCCCCCCCBr 7a_100000760002_100000737683 [0,1,0,0,0,0|2,0,1]=4 3451 B14R0.337 CNC(=O)CCOCCCCCCCN 34a_100011996573_100012179268 [0,1,0,0,0,0|2,0,1]=4 3452 B14R0.337 CNC(=O)CCOCCCCCCCO 34a_100000754576_100000760002 [0,1,0,0,0,0|2,0,1]=4 3453 B14R0.337 CNC(=O)CCOCCCCCCOC 34a_100000754576_100011998445 [0,1,0,0,0,0|2,0,1]=4 3454 B14R0.337 CNC(=O)CCOCCCCCCOC 34a_200012092642_100012179268 [0,1,0,0,0,0|2,0,1]=4 3455 B14R0.337 CNC(=O)CCOCCCCCCOC 7a_200012092642_100000737683 [0,1,0,0,0,0|2,0,1]=4 3456 B14R0.337 CNC(=O)CCSCCCCCCC#N 62a_100000737683_100009813337 [0,1,0,0,0,0|2,0,1]=4 3457 B14R0.337 CNC(=O)CCSCCCCCCC#N 62a_100009813337_100000737683 [0,1,0,0,0,0|2,0,1]=4 3458 B14R0.337 CNC(=O)CCSCCCCCCCO 62a_100000737683_100000760002 [0,1,0,0,0,0|2,0,1]=4 3459 B14R0.337 CNC(=O)CCSCCCCCCCO 62a_100000760002_100000737683 [0,1,0,0,0,0|2,0,1]=4 3460 B14R0.337 CNC(=O)CCSCCCCCCOC 62a_100000737683_100011998445 [0,1,0,0,0,0|2,0,1]=4 3461 B14R0.337 CNC(=O)CCSCCCCCCOC 62a_100011998445_100000737683 [0,1,0,0,0,0|2,0,1]=4 3462 B14R0.337 CNC(=O)CNCCCCCCCCO 2230a_100000693194_100000033203 [0,1,0,0,0,0|2,0,1]=4 3463 B14R0.337 CNC(=O)CNCCCCCCCCO 2230a_102515433106_100000183359 [0,1,0,0,0,0|2,0,1]=4 3464 B14R0.337 CNC(=O)CNCCCCCCCCO 34a_102515433106_100000183359 [0,1,0,0,0,0|2,0,1]=4 3465 B14R0.337 CNC(=O)COCCCCCCCCBr 34a_100009813846_100000183359 [0,1,0,0,0,0|2,0,1]=4 3466 B14R0.337 CNC(=O)COCCCCCCCCBr 7a_100009813846_100000183359 [0,1,0,0,0,0|2,0,1]=4 3467 B14R0.337 CNC(=O)COCCCCCCCCCl 34a_100000033203_100000183359 [0,1,0,0,0,0|2,0,1]=4 3468 B14R0.337 CNC(=O)COCCCCCCCCCl 7a_100000033203_100000183359 [0,1,0,0,0,0|2,0,1]=4 3469 B14R0.337 CNC(=O)COCCCCCCCCN 34a_102515433106_100000183359 [0,1,0,0,0,0|2,0,1]=4 3470 B14R0.337 CNC(=O)COCCCCCCCCO 34a_100000750040_100000033203 [0,1,0,0,0,0|2,0,1]=4 3471 B14R0.337 CNC(=O)CSCCCCCCCCO 62a_100000033203_100000183359 [0,1,0,0,0,0|2,0,1]=4 3472 B14R0.337 CNC(=O)CSCCCCCCCCO 62a_100000183359_100000033203 [0,1,0,0,0,0|2,0,1]=4 3473 B14R0.337 CNC(=O)NCCCCCCCCCO 2708a_100000078944_106832991635 [0,1,0,0,0,0|2,0,1]=4 3474 B14R0.337 CNC(=O)NCCCCCCCCCO 2708a_100102657272_100000078944 [0,1,0,0,0,0|2,0,1]=4 3475 B14R0.337 CNC(=O)NCCCCCCCCCO 273464a_100000078944_100102657272 [0,1,0,0,0,0|2,0,1]=4 3476 B14R0.337 CNC(=O)NCCCCCCCCCO 273464a_100102657272_100000078944 [0,1,0,0,0,0|2,0,1]=4 3477 B14R0.337 CNC(=O)NCCCCCCCCCO 512a_100000078944_100102657272 [0,1,0,0,0,0|2,0,1]=4 3478 B14R0.337 CNC(=O)NCCCCCCCCCO 512a_106832991638_100000078944 [0,1,0,0,0,0|2,0,1]=4 3479 B14R0.337 CNC(=O)OCCSCCCCCC=O 62a_100000139337_200011997002 [0,1,0,0,0,0|3,0,0]=4 3480 B14R0.337 CNC(=O)OCCSCCCCCC=O 62a_200011997002_100000139337 [0,1,0,0,0,0|3,0,0]=4 3481 B14R0.337 CNCCCCCCCCCC(=O)OC 2230a_106832991635_100009813843 [0,1,0,0,0,0|0,0,2]=3 3482 B14R0.337 CNCCCCCCCCCC(=O)OC 34a_100102657272_100009813843 [0,1,0,0,0,0|0,0,2]=3 3483 B14R0.337 CNCCCCCCCCCC(=O)OC 7a_106832991635_100009813843 [0,1,0,0,0,0|0,0,2]=3 3484 B14R0.337 CNCCCCCOCCCC(=O)NC 34a_100000722520_100000741757 [0,1,0,0,0,0|2,0,1]=4 3485 B14R0.337 CNCCCCCOCCCC(=O)OC 34a_100000722520_100000742333 [0,1,0,0,0,0|1,0,1]=3 3486 B14R0.337 CNCCCOCCCCCC(=O)OC 34a_100000213112_100009816466 [0,1,0,0,0,0|1,0,1]=3 3487 B14R0.337 CNCCOCCOCCCC(=O)OC 34a_100000228057_100000742333 [0,1,0,0,0,0|2,0,1]=4 3488 B14R0.337 COC(=O)/C=C/CSCCCCCC=O 62a_100000139337_100000742655 [0,1,0,0,0,0|1,0,2]=4 3489 B14R0.337 COC(=O)/C=C/CSCCCCCC=O 62a_100000742655_100000139337 [0,1,0,0,0,0|1,0,2]=4 3490 B14R0.337 COC(=O)CCCCCCCCCSC 62a_200000210301_100009813843 [0,1,0,0,0,0|0,0,2]=3 3491 B14R0.337 COC(=O)CCCCCCCCCS[13CH3] 62a_200025704644_100009813843 [0,1,0,0,0,0|0,0,2]=3 3492 B14R0.337 COC(=O)CCCCCCCCOCF 34a_100000035544_100015361967 [0,1,0,0,0,0|1,0,1]=3 3493 B14R0.337 COC(=O)CCCCCCCCOCF 7a_100000035544_100015361967 [0,1,0,0,0,0|1,0,1]=3 3494 B14R0.337 COC(=O)CCCCCCCCSCF 62a_100010282707_100015361967 [0,1,0,0,0,0|1,0,1]=3 3495 B14R0.337 COC(=O)CCCCCCCCSCF 62a_100015361967_100010282707 [0,1,0,0,0,0|1,0,1]=3 3496 B14R0.337 COC(=O)CCCCCCCNCCF 34a_100000724931_100010004213 [0,1,0,0,0,0|1,0,1]=3 3497 B14R0.337 COC(=O)CCCCCCCNCCO 2230a_100016997473_100010004213 [0,1,0,0,0,0|1,0,1]=3 3498 B14R0.337 COC(=O)CCCCCCCNCCO 34a_100016990907_100010004213 [0,1,0,0,0,0|1,0,1]=3 3499 B14R0.337 COC(=O)CCCCCCCOCC#N 7a_100011022521_100011215382 [0,1,0,0,0,0|1,0,1]=3 3500 B14R0.337 COC(=O)CCCCCCCOCC=O 34a_100011022521_200009817547 [0,1,0,0,0,0|1,0,0]=2 3501 B14R0.337 COC(=O)CCCCCCCOCC=O 7a_100011022521_200015260668 [0,1,0,0,0,0|1,0,0]=2 3502 B14R0.337 COC(=O)CCCCCCCOCCBr 34a_100000211926_100010004213 [0,1,0,0,0,0|1,0,1]=3 3503 B14R0.337 COC(=O)CCCCCCCOCCF 34a_100011022521_100011217306 [0,1,0,0,0,0|1,0,1]=3 3504 B14R0.337 COC(=O)CCCCCCCOCCF 7a_100011022521_100011217306 [0,1,0,0,0,0|1,0,1]=3 3505 B14R0.337 COC(=O)CCCCCCCOCCN 34a_100000210304_100010004213 [0,1,0,0,0,0|1,0,1]=3 3506 B14R0.337 COC(=O)CCCCCCCOCCO 34a_100011022521_100000211926 [0,1,0,0,0,0|1,0,1]=3 3507 B14R0.337 COC(=O)CCCCCCCOCCO 7a_100011022521_100000211926 [0,1,0,0,0,0|1,0,1]=3 3508 B14R0.337 COC(=O)CCCCCCCOCSC 34a_100011022521_100011218213 [0,1,0,0,0,0|1,0,1]=3 3509 B14R0.337 COC(=O)CCCCCCCSCC#N 62a_100010004213_100011215382 [0,1,0,0,0,0|1,0,1]=3 3510 B14R0.337 COC(=O)CCCCCCCSCC#N 62a_100011215382_100010004213 [0,1,0,0,0,0|1,0,1]=3 3511 B14R0.337 COC(=O)CCCCCCCSCC=O 62a_100010004213_200015260668 [0,1,0,0,0,0|1,0,0]=2 3512 B14R0.337 COC(=O)CCCCCCCSCC=O 62a_200015260668_100010004213 [0,1,0,0,0,0|1,0,0]=2 3513 B14R0.337 COC(=O)CCCCCCCSCCF 62a_100010004213_100011217306 [0,1,0,0,0,0|1,0,1]=3 3514 B14R0.337 COC(=O)CCCCCCCSCCF 62a_100011217306_100010004213 [0,1,0,0,0,0|1,0,1]=3 3515 B14R0.337 COC(=O)CCCCCCCSCCO 62a_100000211926_100010004213 [0,1,0,0,0,0|1,0,1]=3 3516 B14R0.337 COC(=O)CCCCCCCSCCO 62a_100010004213_100000211926 [0,1,0,0,0,0|1,0,1]=3 3517 B14R0.337 COC(=O)CCCCCCCSCSC 62a_100010004213_100011218213 [0,1,0,0,0,0|1,0,1]=3 3518 B14R0.337 COC(=O)CCCCCCCSCSC 62a_100011218213_100010004213 [0,1,0,0,0,0|1,0,1]=3 3519 B14R0.337 COC(=O)CCCCCCNCCCF 2230a_100015189416_100009815986 [0,1,0,0,0,0|1,0,1]=3 3520 B14R0.337 COC(=O)CCCCCCNCCCF 34a_100015189416_100009815986 [0,1,0,0,0,0|1,0,1]=3 3521 B14R0.337 COC(=O)CCCCCCNCCSC 2230a_100020590264_100009815986 [0,1,0,0,0,0|1,0,1]=3 3522 B14R0.337 COC(=O)CCCCCCOCCC#N 7a_100009863599_100000184422 [0,1,0,0,0,0|1,0,1]=3 3523 B14R0.337 COC(=O)CCCCCCOCCCBr 34a_100011217188_100009815986 [0,1,0,0,0,0|1,0,1]=3 3524 B14R0.337 COC(=O)CCCCCCOCCCCl 34a_100000230001_100009815986 [0,1,0,0,0,0|1,0,1]=3 3525 B14R0.337 COC(=O)CCCCCCOCCCF 34a_100000759539_100009815986 [0,1,0,0,0,0|1,0,1]=3 3526 B14R0.337 COC(=O)CCCCCCOCCCF 34a_100009863599_100011934791 [0,1,0,0,0,0|1,0,1]=3 3527 B14R0.337 COC(=O)CCCCCCOCCCF 7a_100009863599_100011934791 [0,1,0,0,0,0|1,0,1]=3 3528 B14R0.337 COC(=O)CCCCCCOCCCN 34a_100000182051_100009815986 [0,1,0,0,0,0|1,0,1]=3 3529 B14R0.337 COC(=O)CCCCCCOCCCO 34a_100009863599_100000230001 [0,1,0,0,0,0|1,0,1]=3 3530 B14R0.337 COC(=O)CCCCCCOCCCO 7a_100009863599_100011215043 [0,1,0,0,0,0|1,0,1]=3 3531 B14R0.337 COC(=O)CCCCCCOCCON 34a_100000700252_100009815986 [0,1,0,0,0,0|2,0,0]=3 3532 B14R0.337 COC(=O)CCCCCCOCCSC 34a_100000230434_100009815986 [0,1,0,0,0,0|1,0,1]=3 3533 B14R0.337 COC(=O)CCCCCCOCCSC 34a_100009863599_100000212216 [0,1,0,0,0,0|1,0,1]=3 3534 B14R0.337 COC(=O)CCCCCCOCCSC 7a_100000230434_100009815986 [0,1,0,0,0,0|1,0,1]=3 3535 B14R0.337 COC(=O)CCCCCCOCCSC 7a_100009863599_100000212216 [0,1,0,0,0,0|1,0,1]=3 3536 B14R0.337 COC(=O)CCCCCCSCCC#N 62a_100009815986_100011215226 [0,1,0,0,0,0|1,0,1]=3 3537 B14R0.337 COC(=O)CCCCCCSCCC#N 62a_100011215226_100009815986 [0,1,0,0,0,0|1,0,1]=3 3538 B14R0.337 COC(=O)CCCCCCSCCCF 62a_100009815986_100011934791 [0,1,0,0,0,0|1,0,1]=3 3539 B14R0.337 COC(=O)CCCCCCSCCCF 62a_100011934791_100009815986 [0,1,0,0,0,0|1,0,1]=3 3540 B14R0.337 COC(=O)CCCCCCSCCCO 62a_100009815986_100011215043 [0,1,0,0,0,0|1,0,1]=3 3541 B14R0.337 COC(=O)CCCCCCSCCCO 62a_100011215043_100009815986 [0,1,0,0,0,0|1,0,1]=3 3542 B14R0.337 COC(=O)CCCCCCSCCSC 62a_100000212216_100009815986 [0,1,0,0,0,0|1,0,1]=3 3543 B14R0.337 COC(=O)CCCCCCSCCSC 62a_100009815986_100000751147 [0,1,0,0,0,0|1,0,1]=3 3544 B14R0.337 COC(=O)CCCCCCSCSC#N 62a_100000211825_100009815986 [0,1,0,0,0,0|2,0,1]=4 3545 B14R0.337 COC(=O)CCCCCCSCSC#N 62a_100009815986_100000211825 [0,1,0,0,0,0|2,0,1]=4 3546 B14R0.337 COC(=O)CCCCCNCCCCO 2230a_100000750430_100009816466 [0,1,0,0,0,0|1,0,1]=3 3547 B14R0.337 COC(=O)CCCCCNCCCCO 34a_100000750430_100009816466 [0,1,0,0,0,0|1,0,1]=3 3548 B14R0.337 COC(=O)CCCCCNCCCSC 2230a_100000749238_100009816466 [0,1,0,0,0,0|1,0,1]=3 3549 B14R0.337 COC(=O)CCCCCOCCCC#N 7a_100000074720_100000687738 [0,1,0,0,0,0|1,0,1]=3 3550 B14R0.337 COC(=O)CCCCCOCCCC=O 7a_100000074720_200011292268 [0,1,0,0,0,0|1,0,0]=2 3551 B14R0.337 COC(=O)CCCCCOCCCCBr 34a_100011216708_100009816466 [0,1,0,0,0,0|1,0,1]=3 3552 B14R0.337 COC(=O)CCCCCOCCCCCl 34a_100000210776_100009816466 [0,1,0,0,0,0|1,0,1]=3 3553 B14R0.337 COC(=O)CCCCCOCCCCCl 7a_100000210776_100009816466 [0,1,0,0,0,0|1,0,1]=3 3554 B14R0.337 COC(=O)CCCCCOCCCCF 34a_100000074720_100000729493 [0,1,0,0,0,0|1,0,1]=3 3555 B14R0.337 COC(=O)CCCCCOCCCCF 34a_100011995726_100009816466 [0,1,0,0,0,0|1,0,1]=3 3556 B14R0.337 COC(=O)CCCCCOCCCCF 7a_100000074720_100000729493 [0,1,0,0,0,0|1,0,1]=3 3557 B14R0.337 COC(=O)CCCCCOCCCCF 7a_100011995726_100009816466 [0,1,0,0,0,0|1,0,1]=3 3558 B14R0.337 COC(=O)CCCCCOCCCCI 34a_200012148704_100009816466 [0,1,0,0,0,0|1,0,1]=3 3559 B14R0.337 COC(=O)CCCCCOCCCCN 34a_100000750430_100009816466 [0,1,0,0,0,0|1,0,1]=3 3560 B14R0.337 COC(=O)CCCCCOCCCCO 34a_100000074720_100011216708 [0,1,0,0,0,0|1,0,1]=3 3561 B14R0.337 COC(=O)CCCCCOCCCCO 7a_100000074720_100000210776 [0,1,0,0,0,0|1,0,1]=3 3562 B14R0.337 COC(=O)CCCCCOCCCSC 34a_100000690336_100009816466 [0,1,0,0,0,0|1,0,1]=3 3563 B14R0.337 COC(=O)CCCCCOCCCSC 7a_100000690336_100009816466 [0,1,0,0,0,0|1,0,1]=3 3564 B14R0.337 COC(=O)CCCCCSCCCC#N 62a_100000687738_100009816466 [0,1,0,0,0,0|1,0,1]=3 3565 B14R0.337 COC(=O)CCCCCSCCCC#N 62a_100009816466_100000687738 [0,1,0,0,0,0|1,0,1]=3 3566 B14R0.337 COC(=O)CCCCCSCCCC=O 62a_100009816466_200011292268 [0,1,0,0,0,0|1,0,0]=2 3567 B14R0.337 COC(=O)CCCCCSCCCC=O 62a_200011292268_100009816466 [0,1,0,0,0,0|1,0,0]=2 3568 B14R0.337 COC(=O)CCCCCSCCCCF 62a_100000729493_100009816466 [0,1,0,0,0,0|1,0,1]=3 3569 B14R0.337 COC(=O)CCCCCSCCCCF 62a_100009816466_100000729493 [0,1,0,0,0,0|1,0,1]=3 3570 B14R0.337 COC(=O)CCCCCSCCCCO 62a_100000210776_100009816466 [0,1,0,0,0,0|1,0,1]=3 3571 B14R0.337 COC(=O)CCCCCSCCCCO 62a_100009816466_100000210776 [0,1,0,0,0,0|1,0,1]=3 3572 B14R0.337 COC(=O)CCCCCSCCSC#N 62a_100000034367_100009816466 [0,1,0,0,0,0|2,0,1]=4 3573 B14R0.337 COC(=O)CCCCCSCCSC#N 62a_100009816466_100000034367 [0,1,0,0,0,0|2,0,1]=4 3574 B14R0.337 COC(=O)CCCCNCCCCCO 2230a_100000762737_100000204269 [0,1,0,0,0,0|1,0,1]=3 3575 B14R0.337 COC(=O)CCCCNCCCCCO 34a_100000762737_100000204269 [0,1,0,0,0,0|1,0,1]=3 3576 B14R0.337 COC(=O)CCCCNCCCN=[N+]=[N-] 2230a_100000744732_100000204269 [0,1,0,0,0,0|3,0,0]=4 3577 B14R0.337 COC(=O)CCCCNCCOCCO 2230a_100000211614_100000204269 [0,1,0,0,0,0|2,0,1]=4 3578 B14R0.337 COC(=O)CCCCNCCOCCO 34a_100000211614_100000204269 [0,1,0,0,0,0|2,0,1]=4 3579 B14R0.337 COC(=O)CCCCNCCSCCO 2230a_100011219999_100000204269 [0,1,0,0,0,0|2,0,1]=4 3580 B14R0.337 COC(=O)CCCCOCCCCC#N 7a_100000059025_100000211819 [0,1,0,0,0,0|1,0,1]=3 3581 B14R0.337 COC(=O)CCCCOCCCCC=O 7a_100000059025_100000139335 [0,1,0,0,0,0|1,0,0]=2 3582 B14R0.337 COC(=O)CCCCOCCCCCBr 34a_100000746331_100000204269 [0,1,0,0,0,0|1,0,1]=3 3583 B14R0.337 COC(=O)CCCCOCCCCCBr 7a_100000746331_100000204269 [0,1,0,0,0,0|1,0,1]=3 3584 B14R0.337 COC(=O)CCCCOCCCCCCl 34a_100000746330_100000204269 [0,1,0,0,0,0|1,0,1]=3 3585 B14R0.337 COC(=O)CCCCOCCCCCCl 7a_100000746330_100000204269 [0,1,0,0,0,0|1,0,1]=3 3586 B14R0.337 COC(=O)CCCCOCCCCCF 34a_100000059025_100000729378 [0,1,0,0,0,0|1,0,1]=3 3587 B14R0.337 COC(=O)CCCCOCCCCCF 7a_100000059025_100000729378 [0,1,0,0,0,0|1,0,1]=3 3588 B14R0.337 COC(=O)CCCCOCCCCCI 34a_200012148887_100000204269 [0,1,0,0,0,0|1,0,1]=3 3589 B14R0.337 COC(=O)CCCCOCCCCCI 7a_200012148887_100000204269 [0,1,0,0,0,0|1,0,1]=3 3590 B14R0.337 COC(=O)CCCCOCCCCCN 34a_100000762737_100000204269 [0,1,0,0,0,0|1,0,1]=3 3591 B14R0.337 COC(=O)CCCCOCCCCCO 34a_100000059025_100000746330 [0,1,0,0,0,0|1,0,1]=3 3592 B14R0.337 COC(=O)CCCCOCCCCCO 7a_100000059025_100000746330 [0,1,0,0,0,0|1,0,1]=3 3593 B14R0.337 COC(=O)CCCCOCCCCSC 34a_100011217163_100000204269 [0,1,0,0,0,0|1,0,1]=3 3594 B14R0.337 COC(=O)CCCCOCCCCSC 7a_100011217163_100000204269 [0,1,0,0,0,0|1,0,1]=3 3595 B14R0.337 COC(=O)CCCCOCCOCC#N 7a_100000059025_200000047693 [0,1,0,0,0,0|2,0,1]=4 3596 B14R0.337 COC(=O)CCCCOCCOCCBr 34a_100000692535_100000204269 [0,1,0,0,0,0|2,0,1]=4 3597 B14R0.337 COC(=O)CCCCOCCOCCBr 7a_100000692535_100000204269 [0,1,0,0,0,0|2,0,1]=4 3598 B14R0.337 COC(=O)CCCCOCCOCCCl 34a_100011215305_100000204269 [0,1,0,0,0,0|2,0,1]=4 3599 B14R0.337 COC(=O)CCCCOCCOCCCl 7a_100011215305_100000204269 [0,1,0,0,0,0|2,0,1]=4 3600 B14R0.337 COC(=O)CCCCOCCOCCF 34a_200015357709_100000204269 [0,1,0,0,0,0|2,0,1]=4 3601 B14R0.337 COC(=O)CCCCOCCOCCF 7a_200015357709_100000204269 [0,1,0,0,0,0|2,0,1]=4 3602 B14R0.337 COC(=O)CCCCOCCOCCI 34a_100012149058_100000204269 [0,1,0,0,0,0|2,0,1]=4 3603 B14R0.337 COC(=O)CCCCOCCOCCI 7a_100012149058_100000204269 [0,1,0,0,0,0|2,0,1]=4 3604 B14R0.337 COC(=O)CCCCOCCOCCN 34a_100000211614_100000204269 [0,1,0,0,0,0|2,0,1]=4 3605 B14R0.337 COC(=O)CCCCOCCOCCO 34a_100000059025_100000692535 [0,1,0,0,0,0|2,0,1]=4 3606 B14R0.337 COC(=O)CCCCOCCOCCO 7a_100000059025_100011215305 [0,1,0,0,0,0|2,0,1]=4 3607 B14R0.337 COC(=O)CCCCSCCCCC#N 62a_100000204269_100000211819 [0,1,0,0,0,0|1,0,1]=3 3608 B14R0.337 COC(=O)CCCCSCCCCC#N 62a_100011219923_100000204269 [0,1,0,0,0,0|1,0,1]=3 3609 B14R0.337 COC(=O)CCCCSCCCCC=O 62a_100000139335_100000204269 [0,1,0,0,0,0|1,0,0]=2 3610 B14R0.337 COC(=O)CCCCSCCCCC=O 62a_100000204269_100000139335 [0,1,0,0,0,0|1,0,0]=2 3611 B14R0.337 COC(=O)CCCCSCCCCCF 62a_100000204269_100000729378 [0,1,0,0,0,0|1,0,1]=3 3612 B14R0.337 COC(=O)CCCCSCCCCCF 62a_100000729378_100000204269 [0,1,0,0,0,0|1,0,1]=3 3613 B14R0.337 COC(=O)CCCCSCCCCCO 62a_100000204269_100000746330 [0,1,0,0,0,0|1,0,1]=3 3614 B14R0.337 COC(=O)CCCCSCCCCCO 62a_100000746330_100000204269 [0,1,0,0,0,0|1,0,1]=3 3615 B14R0.337 COC(=O)CCCCSCCOCC#N 62a_100000204269_200000047693 [0,1,0,0,0,0|2,0,1]=4 3616 B14R0.337 COC(=O)CCCCSCCOCC#N 62a_200000047693_100000204269 [0,1,0,0,0,0|2,0,1]=4 3617 B14R0.337 COC(=O)CCCCSCCOCCO 62a_100000204269_100011215305 [0,1,0,0,0,0|2,0,1]=4 3618 B14R0.337 COC(=O)CCCCSCCOCCO 62a_100011215305_100000204269 [0,1,0,0,0,0|2,0,1]=4 3619 B14R0.337 COC(=O)CCCNCCCCCCO 2230a_100000686447_100011218270 [0,1,0,0,0,0|1,0,1]=3 3620 B14R0.337 COC(=O)CCCNCCCCCCO 34a_100000686447_100000742333 [0,1,0,0,0,0|1,0,1]=3 3621 B14R0.337 COC(=O)CCCNCCCCN=[N+]=[N-] 2230a_100000101370_100011218270 [0,1,0,0,0,0|3,0,0]=4 3622 B14R0.337 COC(=O)CCCOCCCCCCBr 34a_100011215345_100000742333 [0,1,0,0,0,0|1,0,1]=3 3623 B14R0.337 COC(=O)CCCOCCCCCCBr 7a_100011215345_100011218270 [0,1,0,0,0,0|1,0,1]=3 3624 B14R0.337 COC(=O)CCCOCCCCCCCl 34a_100000766143_100000742333 [0,1,0,0,0,0|1,0,1]=3 3625 B14R0.337 COC(=O)CCCOCCCCCCCl 7a_100000766143_100011218270 [0,1,0,0,0,0|1,0,1]=3 3626 B14R0.337 COC(=O)CCCOCCCCCCF 34a_100000732779_100000742333 [0,1,0,0,0,0|1,0,1]=3 3627 B14R0.337 COC(=O)CCCOCCCCCCF 7a_100000732779_100011218270 [0,1,0,0,0,0|1,0,1]=3 3628 B14R0.337 COC(=O)CCCOCCCCCCN 34a_100000686447_100000742333 [0,1,0,0,0,0|1,0,1]=3 3629 B14R0.337 COC(=O)CCCSCCCCCC#N 62a_100009813376_100011218270 [0,1,0,0,0,0|1,0,1]=3 3630 B14R0.337 COC(=O)CCCSCCCCCC#N 62a_100011218270_100009813376 [0,1,0,0,0,0|1,0,1]=3 3631 B14R0.337 COC(=O)CCCSCCCCCC=O 62a_100000139337_100011218270 [0,1,0,0,0,0|1,0,0]=2 3632 B14R0.337 COC(=O)CCCSCCCCCC=O 62a_100011218270_100000139337 [0,1,0,0,0,0|1,0,0]=2 3633 B14R0.337 COC(=O)CCCSCCCCCCF 62a_100011218270_100015922095 [0,1,0,0,0,0|1,0,1]=3 3634 B14R0.337 COC(=O)CCCSCCCCCCF 62a_100015922095_100011218270 [0,1,0,0,0,0|1,0,1]=3 3635 B14R0.337 COC(=O)CCCSCCCCCCO 62a_100000766143_100011218270 [0,1,0,0,0,0|1,0,1]=3 3636 B14R0.337 COC(=O)CCCSCCCCCCO 62a_100011218270_100000766143 [0,1,0,0,0,0|1,0,1]=3 3637 B14R0.337 COC(=O)CCNCCCCCCCO 2230a_100011996573_100000204255 [0,1,0,0,0,0|1,0,1]=3 3638 B14R0.337 COC(=O)CCNCCCCCCCO 34a_100011996573_100000742370 [0,1,0,0,0,0|1,0,1]=3 3639 B14R0.337 COC(=O)CCNCCCOCCCO 2230a_100011310245_100000204255 [0,1,0,0,0,0|2,0,1]=4 3640 B14R0.337 COC(=O)CCNCCCOCCCO 34a_100011310245_100000742370 [0,1,0,0,0,0|2,0,1]=4 3641 B14R0.337 COC(=O)CCOCCCCCCCBr 34a_100000760002_100000742370 [0,1,0,0,0,0|1,0,1]=3 3642 B14R0.337 COC(=O)CCOCCCCCCCBr 7a_100000760002_100000204255 [0,1,0,0,0,0|1,0,1]=3 3643 B14R0.337 COC(=O)CCOCCCCCCCN 34a_100011996573_100000742370 [0,1,0,0,0,0|1,0,1]=3 3644 B14R0.337 COC(=O)CCOCCCOCCCN 34a_100011310245_100000742370 [0,1,0,0,0,0|2,0,1]=4 3645 B14R0.337 COC(=O)CCSCCCCCCC#N 62a_100000204255_100009813337 [0,1,0,0,0,0|1,0,1]=3 3646 B14R0.337 COC(=O)CCSCCCCCCC#N 62a_100009813337_100000204255 [0,1,0,0,0,0|1,0,1]=3 3647 B14R0.337 COC(=O)CCSCCCCCCCO 62a_100000204255_100000760002 [0,1,0,0,0,0|1,0,1]=3 3648 B14R0.337 COC(=O)CCSCCCCCCCO 62a_100000760002_100000204255 [0,1,0,0,0,0|1,0,1]=3 3649 B14R0.337 COC(=O)CNCCCCCCCCO 2230a_102515433106_100000747449 [0,1,0,0,0,0|1,0,1]=3 3650 B14R0.337 COC(=O)CNCCCCCCCCO 34a_102515433106_100000747449 [0,1,0,0,0,0|1,0,1]=3 3651 B14R0.337 COC(=O)CNCCCCCCN=[N+]=[N-] 2230a_200000049180_100000747449 [0,1,0,0,0,0|3,0,0]=4 3652 B14R0.337 COC(=O)COCCCCCCCCBr 34a_100009813846_100000747449 [0,1,0,0,0,0|1,0,1]=3 3653 B14R0.337 COC(=O)COCCCCCCCCBr 7a_100009813846_100000747449 [0,1,0,0,0,0|1,0,1]=3 3654 B14R0.337 COC(=O)COCCCCCCCCCl 34a_100000033203_100000747449 [0,1,0,0,0,0|1,0,1]=3 3655 B14R0.337 COC(=O)COCCCCCCCCCl 7a_100000033203_100000747449 [0,1,0,0,0,0|1,0,1]=3 3656 B14R0.337 COC(=O)COCCCCCCCCN 34a_102515433106_100000747449 [0,1,0,0,0,0|1,0,1]=3 3657 B14R0.337 COC(=O)COCCCCCNCCN 34a_103619048469_100000747449 [0,1,0,0,0,0|2,0,1]=4 3658 B14R0.337 COC(=O)COCCNCCCCCO 2230a_100000762737_100000090808 [0,1,0,0,0,0|2,0,1]=4 3659 B14R0.337 COC(=O)COCCNCCCCCO 34a_100000762737_100000090808 [0,1,0,0,0,0|2,0,1]=4 3660 B14R0.337 COC(=O)COCCOCCCCCBr 34a_100000746331_100000090808 [0,1,0,0,0,0|2,0,1]=4 3661 B14R0.337 COC(=O)COCCOCCCCCBr 7a_100000746331_100000090808 [0,1,0,0,0,0|2,0,1]=4 3662 B14R0.337 COC(=O)COCCOCCCCCCl 34a_100000746330_100000090808 [0,1,0,0,0,0|2,0,1]=4 3663 B14R0.337 COC(=O)COCCOCCCCCCl 7a_100000746330_100000090808 [0,1,0,0,0,0|2,0,1]=4 3664 B14R0.337 COC(=O)COCCOCCCCCI 34a_200012148887_100000090808 [0,1,0,0,0,0|2,0,1]=4 3665 B14R0.337 COC(=O)COCCOCCCCCI 7a_200012148887_100000090808 [0,1,0,0,0,0|2,0,1]=4 3666 B14R0.337 COC(=O)COCCOCCCCCN 34a_100000762737_100000090808 [0,1,0,0,0,0|2,0,1]=4 3667 B14R0.337 COC(=O)COCCOCCCCSC 34a_100011217163_100000090808 [0,1,0,0,0,0|2,0,1]=4 3668 B14R0.337 COC(=O)COCCOCCCCSC 7a_100011217163_100000090808 [0,1,0,0,0,0|2,0,1]=4 3669 B14R0.337 COC(=O)COCCOCCOCC=O 34a_100011023656_200009817547 [0,1,0,0,0,0|3,0,0]=4 3670 B14R0.337 COC(=O)COCCOCCOCC=O 7a_100011023656_200015260668 [0,1,0,0,0,0|3,0,0]=4 3671 B14R0.337 COC(=O)COCCSCCCCC#N 62a_100000090808_100000211819 [0,1,0,0,0,0|2,0,1]=4 3672 B14R0.337 COC(=O)COCCSCCCCC#N 62a_100011219923_100000090808 [0,1,0,0,0,0|2,0,1]=4 3673 B14R0.337 COC(=O)COCCSCCCCC=O 62a_100000090808_100000139335 [0,1,0,0,0,0|2,0,0]=3 3674 B14R0.337 COC(=O)COCCSCCCCC=O 62a_100000139335_100000090808 [0,1,0,0,0,0|2,0,0]=3 3675 B14R0.337 COC(=O)COCCSCCCCCF 62a_100000090808_100000729378 [0,1,0,0,0,0|2,0,1]=4 3676 B14R0.337 COC(=O)COCCSCCCCCF 62a_100000729378_100000090808 [0,1,0,0,0,0|2,0,1]=4 3677 B14R0.337 COC(=O)COCCSCCCCCO 62a_100000090808_100000746330 [0,1,0,0,0,0|2,0,1]=4 3678 B14R0.337 COC(=O)COCCSCCCCCO 62a_100000746330_100000090808 [0,1,0,0,0,0|2,0,1]=4 3679 B14R0.337 COC(=O)CSCCCCCCCCO 62a_100000033203_100000747449 [0,1,0,0,0,0|1,0,1]=3 3680 B14R0.337 COC(=O)CSCCCCCCCCO 62a_100000747449_100000033203 [0,1,0,0,0,0|1,0,1]=3 3681 B14R0.337 COC(=O)NCCOCCCCCCF 34a_100000757965_100015922095 [0,1,0,0,0,0|2,0,1]=4 3682 B14R0.337 COC(=O)NCCOCCCCCCO 34a_100000757965_100000766143 [0,1,0,0,0,0|2,0,1]=4 3683 B14R0.337 COC(=O)OCCOCCCCCCF 34a_100010262106_100015922095 [0,1,0,0,0,0|2,0,1]=4 3684 B14R0.337 COC(=O)OCCOCCCCCCO 34a_100010262106_100000766143 [0,1,0,0,0,0|2,0,1]=4 3685 B14R0.337 COC(=O)OCSCCCCCCC#N 62a_100009813337_100000139417 [0,1,0,0,0,0|2,0,1]=4 3686 B14R0.337 COC(=O)OCSCCCCCCCO 62a_100000760002_100000139417 [0,1,0,0,0,0|2,0,1]=4 3687 B14R0.337 COCCCCCCCCCC(=O)OC 34a_100138415774_100009813843 [0,1,0,0,0,0|0,0,2]=3 3688 B14R0.337 COCCCCCCOCCC(=O)OC 34a_200012092642_100000742370 [0,1,0,0,0,0|1,0,1]=3 3689 B14R0.337 COCCCCCCOCCC(=O)OC 7a_200012092642_100000204255 [0,1,0,0,0,0|1,0,1]=3 3690 B14R0.337 COCCCCCCSCCC(=O)OC 62a_100000204255_100011998445 [0,1,0,0,0,0|1,0,1]=3 3691 B14R0.337 COCCCCCCSCCC(=O)OC 62a_100011998445_100000204255 [0,1,0,0,0,0|1,0,1]=3 3692 B14R0.337 COCCCCCCSCOC(=O)OC 62a_100011998445_100000139417 [0,1,0,0,0,0|2,0,1]=4 3693 B14R0.337 COCCCCCNCCCC(=O)OC 2230a_100000747528_100011218270 [0,1,0,0,0,0|1,0,1]=3 3694 B14R0.337 COCCCCCNCCCC(=O)OC 34a_100000747528_100000742333 [0,1,0,0,0,0|1,0,1]=3 3695 B14R0.337 COCCCCOCCCCC(=O)OC 34a_100000059025_100000755781 [0,1,0,0,0,0|1,0,1]=3 3696 B14R0.337 COCCCCOCCCCC(=O)OC 34a_100000740925_100000204269 [0,1,0,0,0,0|1,0,1]=3 3697 B14R0.337 COCCCCOCCCCC(=O)OC 7a_100000059025_100000730899 [0,1,0,0,0,0|1,0,1]=3 3698 B14R0.337 COCCCCOCCOCC(=O)OC 34a_100000740925_100000090808 [0,1,0,0,0,0|2,0,1]=4 3699 B14R0.337 COCCCCSCCCCC(=O)OC 62a_100000204269_100000730899 [0,1,0,0,0,0|1,0,1]=3 3700 B14R0.337 COCCCCSCCCCC(=O)OC 62a_100000730899_100000204269 [0,1,0,0,0,0|1,0,1]=3 3701 B14R0.337 COCCCCSCCOCC(=O)OC 62a_100000090808_100000730899 [0,1,0,0,0,0|2,0,1]=4 3702 B14R0.337 COCCCCSCCOCC(=O)OC 62a_100000730899_100000090808 [0,1,0,0,0,0|2,0,1]=4 3703 B14R0.337 COCCCNCCCCCC(=O)OC 34a_100150723488_100009816466 [0,1,0,0,0,0|1,0,1]=3 3704 B14R0.337 COCCCOCCCCCC(=O)OC 34a_100000074720_100000740836 [0,1,0,0,0,0|1,0,1]=3 3705 B14R0.337 COCCCOCCCCCC(=O)OC 34a_100000740835_100009816466 [0,1,0,0,0,0|1,0,1]=3 3706 B14R0.337 COCCCOCCCCCC(=O)OC 7a_100000074720_100000740836 [0,1,0,0,0,0|1,0,1]=3 3707 B14R0.337 COCCCOCCCOCC(=O)OC 34a_200011215475_100000747449 [0,1,0,0,0,0|2,0,1]=4 3708 B14R0.337 COCCCOCCCOCC(=O)OC 7a_200011215475_100000747449 [0,1,0,0,0,0|2,0,1]=4 3709 B14R0.337 COCCCSCCCCCC(=O)OC 62a_100000709357_100009816466 [0,1,0,0,0,0|1,0,1]=3 3710 B14R0.337 COCCCSCCCCCC(=O)OC 62a_100009816466_100000709357 [0,1,0,0,0,0|1,0,1]=3 3711 B14R0.337 COCCNCCCCCCC(=O)OC 2230a_100000209980_100009815986 [0,1,0,0,0,0|1,0,1]=3 3712 B14R0.337 COCCOCCCCCCC(=O)OC 34a_100000210237_100009815986 [0,1,0,0,0,0|1,0,1]=3 3713 B14R0.337 COCCOCCCCCCC(=O)OC 34a_100009863599_100011201679 [0,1,0,0,0,0|1,0,1]=3 3714 B14R0.337 COCCOCCCCCCC(=O)OC 7a_100009863599_100000233755 [0,1,0,0,0,0|1,0,1]=3 3715 B14R0.337 COCCOCCCNCCC(=O)OC 2230a_100000206027_100000204255 [0,1,0,0,0,0|2,0,1]=4 3716 B14R0.337 COCCOCCCNCCC(=O)OC 34a_100000206027_100000742370 [0,1,0,0,0,0|2,0,1]=4 3717 B14R0.337 COCCOCCCSCCC(=O)OC 62a_100000204255_100011216529 [0,1,0,0,0,0|2,0,1]=4 3718 B14R0.337 COCCOCCCSCCC(=O)OC 62a_100011216529_100000204255 [0,1,0,0,0,0|2,0,1]=4 3719 B14R0.337 COCCOCCNCCCC(=O)OC 2230a_100000745349_100011218270 [0,1,0,0,0,0|2,0,1]=4 3720 B14R0.337 COCCOCCNCCCC(=O)OC 34a_100000745349_100000742333 [0,1,0,0,0,0|2,0,1]=4 3721 B14R0.337 COCCOCCOCCCC(=O)OC 34a_100011215163_100000742333 [0,1,0,0,0,0|2,0,1]=4 3722 B14R0.337 COCCOCCOCCCC(=O)OC 7a_100011215163_100011218270 [0,1,0,0,0,0|2,0,1]=4 3723 B14R0.337 COCCOCCSCCCC(=O)OC 62a_100000695917_100011218270 [0,1,0,0,0,0|2,0,1]=4 3724 B14R0.337 COCCOCCSCCCC(=O)OC 62a_100011218270_100000695917 [0,1,0,0,0,0|2,0,1]=4 3725 B14R0.337 COCCOCSCCCCC(=O)OC 62a_100000204269_100000231047 [0,1,0,0,0,0|2,0,1]=4 3726 B14R0.337 COCCOCSCCCCC(=O)OC 62a_100000231047_100000204269 [0,1,0,0,0,0|2,0,1]=4 3727 B14R0.337 COCCSCCCCCCC(=O)OC 62a_100000233755_100009815986 [0,1,0,0,0,0|1,0,1]=3 3728 B14R0.337 COCCSCCCCCCC(=O)OC 62a_100009815986_100000233755 [0,1,0,0,0,0|1,0,1]=3 3729 B14R0.337 COCSCCCCCCCC(=O)OC 62a_100000766300_100010004213 [0,1,0,0,0,0|1,0,1]=3 3730 B14R0.337 COCSCCCCCCCC(=O)OC 62a_100010004213_100000766300 [0,1,0,0,0,0|1,0,1]=3 3731 B14R0.340 C#CCCCCCCCCC(=O)C(C)C 1458a_100000029693_100000210206 [0,1,0,0,0,0|1,0,2]=4 3732 B14R0.340 C#CCCCCCCCCC(=O)N(C)C 11a_100102631434_100000029693 [0,1,0,0,0,0|1,0,2]=4 3733 B14R0.340 C#CCCCCCCCCC(=O)N(C)C 1626a_100102631434_100000029693 [0,1,0,0,0,0|1,0,2]=4 3734 B14R0.340 C#CCCCCCCCCC(=O)N(C)C 240690a_100102631434_100000029693 [0,1,0,0,0,0|1,0,2]=4 3735 B14R0.340 C#CCCCCCCCCC(=O)N(C)C 527a_100102631434_100000029693 [0,1,0,0,0,0|1,0,2]=4 3736 B14R0.340 C=C(C)C(=O)CCCCCCCCCC 1458a_100000185857_100000210319 [0,1,0,0,0,0|1,0,2]=4 3737 B14R0.340 C=C(C)C(=O)CCCCCCCCCO 1458a_100000185857_100009813782 [0,1,0,0,0,0|2,0,1]=4 3738 B14R0.340 C=CCCCCCCCCC(=O)C(=C)C 1458a_100000185857_100011933949 [0,1,0,0,0,0|1,0,0]=2 3739 B14R0.340 C=CCCCCCCCCC(=O)C(C)C 1458a_100000210198_100011933949 [0,1,0,0,0,0|1,0,0]=2 3740 B14R0.340 C=CCCCCCCCCC(=O)C(C)C 1458a_100000211349_100000210206 [0,1,0,0,0,0|1,0,0]=2 3741 B14R0.340 C=CCCCCCCCCC(=O)C(C)F 1458a_100000062450_100011933949 [0,1,0,0,0,0|1,0,0]=2 3742 B14R0.340 C=CCCCCCCCCC(=O)C(O)O 1458a_100000233687_100011933949 [0,1,0,0,0,0|2,0,0]=3 3743 B14R0.340 C=CCCCCCCCCC(=O)N(C)C 11a_100102631434_100000211349 [0,1,0,0,0,0|1,0,0]=2 3744 B14R0.340 C=CCCCCCCCCC(=O)N(C)C 1626a_100102631434_100000211349 [0,1,0,0,0,0|1,0,0]=2 3745 B14R0.340 C=CCCCCCCCCC(=O)N(C)C 240690a_100102631434_100000211349 [0,1,0,0,0,0|1,0,0]=2 3746 B14R0.340 C=CCCCCCCCCC(=O)N(C)C 527a_100102631434_100000211349 [0,1,0,0,0,0|1,0,0]=2 3747 B14R0.340 C=CCCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100011933949 [0,1,0,0,0,0|1,0,0]=2 3748 B14R0.340 C=CCCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100011933949 [0,1,0,0,0,0|1,0,0]=2 3749 B14R0.340 C=CCCCCCCCCN(C)C(C)C 269982a_200000211004_100011933949 [0,1,0,0,0,0|3,0,0]=4 3750 B14R0.340 C=CCCCCCCNCC(=O)N(C)C 2230a_100015183351_100011215473 [0,1,0,0,0,0|2,0,0]=3 3751 B14R0.340 C=CCCCCCCOCC(=O)C(=O)C 34a_200011216477_100011261029 [0,1,0,0,0,0|2,0,0]=3 3752 B14R0.340 C=CCCCCCCOCC(=O)C(C)C 34a_200011216477_100000753385 [0,1,0,0,0,0|2,0,0]=3 3753 B14R0.340 C=CCCCCCCOCC(=O)C(C)C 7a_200011216477_100000753385 [0,1,0,0,0,0|2,0,0]=3 3754 B14R0.340 C=CCCCCCCOCC(=O)N(C)C 34a_200011216477_100000692301 [0,1,0,0,0,0|2,0,0]=3 3755 B14R0.340 C=CCCCCCCOCC(=O)N(C)C 7a_200011216477_100000692301 [0,1,0,0,0,0|2,0,0]=3 3756 B14R0.340 C=CCCCCCCSCC(=O)C(=O)C 62a_100011215473_100011261029 [0,1,0,0,0,0|2,0,0]=3 3757 B14R0.340 C=CCCCCCCSCC(=O)C(=O)C 62a_100011261029_100011215473 [0,1,0,0,0,0|2,0,0]=3 3758 B14R0.340 C=CCCCCCCSCC(=O)C(C)C 62a_100000753385_100011215473 [0,1,0,0,0,0|2,0,0]=3 3759 B14R0.340 C=CCCCCCCSCC(=O)C(C)C 62a_100011215473_100000753385 [0,1,0,0,0,0|2,0,0]=3 3760 B14R0.340 C=CCCCCCCSCC(=O)N(C)C 62a_100000692301_100011215473 [0,1,0,0,0,0|2,0,0]=3 3761 B14R0.340 C=CCCCCCCSCC(=O)N(C)C 62a_100011215473_100000692301 [0,1,0,0,0,0|2,0,0]=3 3762 B14R0.340 C=CCCCCCNCCC(=O)N(C)C 2230a_100000738053_100000700193 [0,1,0,0,0,0|2,0,0]=3 3763 B14R0.340 C=CCCCCCOCCC(=O)N(C)C 34a_200000747469_100000700193 [0,1,0,0,0,0|2,0,0]=3 3764 B14R0.340 C=CCCCCCOCCC(=O)N(C)C 7a_100011216702_100000737620 [0,1,0,0,0,0|2,0,0]=3 3765 B14R0.340 C=CCCCCCSCCC(=O)N(C)C 62a_100000700193_100000737620 [0,1,0,0,0,0|2,0,0]=3 3766 B14R0.340 C=CCCCCCSCCC(=O)N(C)C 62a_100000737620_100000700193 [0,1,0,0,0,0|2,0,0]=3 3767 B14R0.340 C=CCCCCCSCOC(=O)C(C)C 62a_100000139345_100000700193 [0,1,0,0,0,0|3,0,0]=4 3768 B14R0.340 C=CCCCCCSCOC(=O)C(C)C 62a_100000700193_100000139345 [0,1,0,0,0,0|3,0,0]=4 3769 B14R0.340 C=CCCCCNCCCC(=O)N(C)C 2230a_100000703577_100000737642 [0,1,0,0,0,0|2,0,0]=3 3770 B14R0.340 C=CCCCCNCCCC(=O)N(C)C 2230a_200000744827_100011215482 [0,1,0,0,0,0|2,0,0]=3 3771 B14R0.340 C=CCCCCNCCNC(=O)C(=C)C 2230a_100102636416_100011215482 [0,1,0,0,0,0|3,0,0]=4 3772 B14R0.340 C=CCCCCNCCNC(=O)C(C)C 2230a_100000752568_100011215482 [0,1,0,0,0,0|3,0,0]=4 3773 B14R0.340 C=CCCCCNCCNC(=O)C(C)C 34a_100000752568_100011215482 [0,1,0,0,0,0|3,0,0]=4 3774 B14R0.340 C=CCCCCNCCOC(=O)C(=C)C 2230a_100000703577_100009816335 [0,1,0,0,0,0|3,0,0]=4 3775 B14R0.340 C=CCCCCNCCOC(=O)C(=C)C 34a_100000703577_100009816335 [0,1,0,0,0,0|3,0,0]=4 3776 B14R0.340 C=CCCCCOCCCC(=O)N(C)C 7a_100000766645_100000737642 [0,1,0,0,0,0|2,0,0]=3 3777 B14R0.340 C=CCCCCOCCOC(=O)C(=C)C 34a_100000766645_100009816335 [0,1,0,0,0,0|3,0,0]=4 3778 B14R0.340 C=CCCCCOCCOC(=O)C(=C)C 7a_100000766645_100009816335 [0,1,0,0,0,0|3,0,0]=4 3779 B14R0.340 C=CCCCCSCCCC(=O)N(C)C 62a_100000737642_100011215482 [0,1,0,0,0,0|2,0,0]=3 3780 B14R0.340 C=CCCCCSCCCC(=O)N(C)C 62a_100011215482_100000737642 [0,1,0,0,0,0|2,0,0]=3 3781 B14R0.340 C=CCCCCSCCOC(=O)C(=C)C 62a_100009816335_100011215482 [0,1,0,0,0,0|3,0,0]=4 3782 B14R0.340 C=CCCCCSCCOC(=O)C(=C)C 62a_100011215482_100009816335 [0,1,0,0,0,0|3,0,0]=4 3783 B14R0.340 C=CCCCNCCCCC(=O)N(C)C 34a_100000700776_100000752486 [0,1,0,0,0,0|2,0,0]=3 3784 B14R0.340 C=CCCCNCCCNC(=O)C(=C)C 2230a_100016987756_100011713584 [0,1,0,0,0,0|3,0,0]=4 3785 B14R0.340 C=CCCCOCCCCC(=O)N(C)C 34a_100000758997_100000752486 [0,1,0,0,0,0|2,0,0]=3 3786 B14R0.340 C=CCCCOCCCCC(=O)N(C)C 7a_100000758997_100000752486 [0,1,0,0,0,0|2,0,0]=3 3787 B14R0.340 C=CCCCOCCCOC(=O)C(=C)C 7a_100000032641_100000757094 [0,1,0,0,0,0|3,0,0]=4 3788 B14R0.340 C=CCCCSCCCCC(=O)N(C)C 62a_100000752486_100000757094 [0,1,0,0,0,0|2,0,0]=3 3789 B14R0.340 C=CCCCSCCCCC(=O)N(C)C 62a_100011713584_100000752486 [0,1,0,0,0,0|2,0,0]=3 3790 B14R0.340 C=CCCOCCCCOC(=O)C(=C)C 7a_100000065474_100000754431 [0,1,0,0,0,0|3,0,0]=4 3791 B14R0.340 C=CCOCCOCCCC(=O)N(C)C 7a_100000037705_100000737642 [0,1,0,0,0,0|3,0,0]=4 3792 B14R0.340 C=COCCCCOCCC(=O)N(C)C 7a_100000031558_100000737620 [0,1,0,0,0,0|3,0,0]=4 3793 B14R0.340 C=COCCCNCCCC(=O)N(C)C 2230a_100000210767_100000737642 [0,1,0,0,0,0|3,0,0]=4 3794 B14R0.340 C=COCCOCCCCC(=O)N(C)C 34a_100000033082_100000752486 [0,1,0,0,0,0|3,0,0]=4 3795 B14R0.340 C=COCCSCCCCC(=O)N(C)C 62a_100000039644_100000752486 [0,1,0,0,0,0|3,0,0]=4 3796 B14R0.340 C=COCCSCCCCC(=O)N(C)C 62a_100000752486_100000039644 [0,1,0,0,0,0|3,0,0]=4 3797 B14R0.340 CC(C)C(=O)CCCCCCCCCF 1458a_200009909015_100000210206 [0,1,0,0,0,0|2,0,1]=4 3798 B14R0.340 CC(C)C(=O)CCCCCCCCCO 1458a_100000210198_100009813782 [0,1,0,0,0,0|2,0,1]=4 3799 B14R0.340 CC(F)C(=O)CCCCCCCCCO 1458a_100000062450_100009813782 [0,1,0,0,0,0|2,0,1]=4 3800 B14R0.340 CCCCCCCCCCC(=O)C(C)C 1458a_100000210198_100000210319 [0,1,0,0,0,0|1,0,2]=4 3801 B14R0.340 CCCCCCCCCCC(=O)C(C)C 1458a_100000210375_100000210206 [0,1,0,0,0,0|1,0,2]=4 3802 B14R0.340 CCCCCCCCCCC(=O)C(C)F 1458a_100000062450_100000210319 [0,1,0,0,0,0|1,0,2]=4 3803 B14R0.340 CCCCCCCCCCC(=O)N(C)C 11a_100102631434_100000210375 [0,1,0,0,0,0|1,0,2]=4 3804 B14R0.340 CCCCCCCCCCC(=O)N(C)C 1626a_100102631434_100000210375 [0,1,0,0,0,0|1,0,2]=4 3805 B14R0.340 CCCCCCCCCCC(=O)N(C)C 240690a_100102631434_100000210375 [0,1,0,0,0,0|1,0,2]=4 3806 B14R0.340 CCCCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210319 [0,1,0,0,0,0|1,0,2]=4 3807 B14R0.340 CCCCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210319 [0,1,0,0,0,0|1,0,2]=4 3808 B14R0.340 CN(C)C(=O)CCCCCCCCCF 11a_100102631434_200009909015 [0,1,0,0,0,0|2,0,1]=4 3809 B14R0.340 CN(C)C(=O)CCCCCCCCCF 240690a_100102631434_200009909015 [0,1,0,0,0,0|2,0,1]=4 3810 B14R0.340 CN(C)C(=O)CCCCCCCCCF 527a_100102631434_200009909015 [0,1,0,0,0,0|2,0,1]=4 3811 B14R0.340 CN(C)C(=O)CCCCCCCCCO 240690a_100102631434_100000032657 [0,1,0,0,0,0|2,0,1]=4 3812 B14R0.340 CN(C)C(=O)CCCCSCCCC=O 62a_100000752486_200011292268 [0,1,0,0,0,0|3,0,0]=4 3813 B14R0.340 CN(C)C(=O)CCCCSCCCC=O 62a_200011292268_100000752486 [0,1,0,0,0,0|3,0,0]=4 3814 B14R0.340 CN(C)C(=O)CCCNCCCCC=O 2230a_200000744827_100000139335 [0,1,0,0,0,0|3,0,0]=4 3815 B14R0.340 CN(C)C(=O)CCCSCCCCC=O 62a_100000139335_100000737642 [0,1,0,0,0,0|3,0,0]=4 3816 B14R0.340 CN(C)C(=O)CCCSCCCCC=O 62a_100000737642_100000139335 [0,1,0,0,0,0|3,0,0]=4 3817 B14R0.340 CN(C)C(=O)CCNCCCCCC=O 2230a_100000738053_100000139337 [0,1,0,0,0,0|3,0,0]=4 3818 B14R0.340 CN(C)C(=O)CCSCCCCCC=O 62a_100000139337_100000737620 [0,1,0,0,0,0|3,0,0]=4 3819 B14R0.340 CN(C)C(=O)CCSCCCCCC=O 62a_100000737620_100000139337 [0,1,0,0,0,0|3,0,0]=4 3820 B14R0.340 C[C@@H](O)C(=O)CCCCCCCCCO 1458a_100000717761_100009813782 [0,1,0,0,0,0|2,0,1]=4 3821 B14R0.340 C[C@H](O)C(=O)CCCCCCCCCO 1458a_217856618621_100009813782 [0,1,0,0,0,0|2,0,1]=4 3822 B14R0.393 C#CCC(=O)CCCCCCCCC=C 1458a_100000211349_100000184674 [0,1,0,0,0,0|1,0,1]=3 3823 B14R0.393 C#CCC(=O)CCCCCCCCC=C 1458a_100011220946_100011933949 [0,1,0,0,0,0|1,0,1]=3 3824 B14R0.393 C#CCCCCCCCCC(=O)CCC 1458a_100000029693_100000210303 [0,1,0,0,0,0|1,0,2]=4 3825 B14R0.393 C#CCCCCCCCCC(=O)CCF 1458a_100000029693_100011217306 [0,1,0,0,0,0|1,0,2]=4 3826 B14R0.393 C#CCCCCCCCCC(=O)CCO 1458a_100000029693_100000211926 [0,1,0,0,0,0|1,0,2]=4 3827 B14R0.393 C#CCCCCCCCCC(=O)NCC 11a_100015525214_100000029693 [0,1,0,0,0,0|1,0,2]=4 3828 B14R0.393 C#CCCCCCCCCC(=O)NCC 240690a_100015525214_100000029693 [0,1,0,0,0,0|1,0,2]=4 3829 B14R0.393 C#CCCCCCCCCC(=O)NCC 527a_100015525214_100000029693 [0,1,0,0,0,0|1,0,2]=4 3830 B14R0.393 C#CCCCCCCCCC(=O)NNC 22a_100016993582_100000029693 [0,1,0,0,0,0|1,0,2]=4 3831 B14R0.393 C#CCCCCCCOCC(=O)OCC 34a_100011217361_100000188475 [0,1,0,0,0,0|1,0,2]=4 3832 B14R0.393 C#CCCCCCCOCC(=O)OCC 7a_100011217361_100000188475 [0,1,0,0,0,0|1,0,2]=4 3833 B14R0.393 C#CCCCCCCSCC(=O)OCC 62a_100000188475_100012276617 [0,1,0,0,0,0|1,0,2]=4 3834 B14R0.393 C#CCCCCCCSCC(=O)OCC 62a_100012276617_100000188475 [0,1,0,0,0,0|1,0,2]=4 3835 B14R0.393 C#CCCCCCOCCC(=O)OCC 34a_100000766912_100000765890 [0,1,0,0,0,0|1,0,2]=4 3836 B14R0.393 C#CCCCCCOCCC(=O)OCC 7a_100000766912_100011206558 [0,1,0,0,0,0|1,0,2]=4 3837 B14R0.393 C#CCCCCCSCCC(=O)OCC 62a_100000765890_100012094781 [0,1,0,0,0,0|1,0,2]=4 3838 B14R0.393 C#CCCCCCSCCC(=O)OCC 62a_100012094781_100000765890 [0,1,0,0,0,0|1,0,2]=4 3839 B14R0.393 C#CCCCCNCCCC(=O)OCC 2230a_100000706060_100009991533 [0,1,0,0,0,0|1,0,2]=4 3840 B14R0.393 C#CCCCCNCCCC(=O)OCC 34a_100000706060_100009991533 [0,1,0,0,0,0|1,0,2]=4 3841 B14R0.393 C#CCCCCOCCCC(=O)OCC 34a_100000766709_100009991533 [0,1,0,0,0,0|1,0,2]=4 3842 B14R0.393 C#CCCCCOCCCC(=O)OCC 7a_100000766709_100011215271 [0,1,0,0,0,0|1,0,2]=4 3843 B14R0.393 C#CCCCCOCCCC(=O)OCC 7a_100012001163_100010269958 [0,1,0,0,0,0|1,0,2]=4 3844 B14R0.393 C#CCCCCSCCCC(=O)OCC 62a_100009991533_100010269958 [0,1,0,0,0,0|1,0,2]=4 3845 B14R0.393 C#CCCCCSCCCC(=O)OCC 62a_100010269958_100009991533 [0,1,0,0,0,0|1,0,2]=4 3846 B14R0.393 C#CCCCNCCCCC(=O)OCC 34a_100000718082_100000750268 [0,1,0,0,0,0|1,0,2]=4 3847 B14R0.393 C#CCCCOCCCCC(=O)OCC 34a_100000215630_100000750268 [0,1,0,0,0,0|1,0,2]=4 3848 B14R0.393 C#CCCCOCCCCC(=O)OCC 7a_100000215630_100000750268 [0,1,0,0,0,0|1,0,2]=4 3849 B14R0.393 C#CCCCSCCCCC(=O)OCC 62a_100000750268_100011215417 [0,1,0,0,0,0|1,0,2]=4 3850 B14R0.393 C#CCCCSCCCCC(=O)OCC 62a_100011215417_100000750268 [0,1,0,0,0,0|1,0,2]=4 3851 B14R0.393 C#CCCNCCCCCC(=O)OCC 34a_100000755551_100000755133 [0,1,0,0,0,0|1,0,2]=4 3852 B14R0.393 C#CCCOCCCCCC(=O)OCC 34a_100011215631_100000755133 [0,1,0,0,0,0|1,0,2]=4 3853 B14R0.393 C#CCCOCCCCCC(=O)OCC 7a_100011214988_100000688953 [0,1,0,0,0,0|1,0,2]=4 3854 B14R0.393 C#CCCSCCCCCC(=O)OCC 62a_100000688953_100000755133 [0,1,0,0,0,0|1,0,2]=4 3855 B14R0.393 C#CCCSCCCCCC(=O)OCC 62a_100000755133_100000688953 [0,1,0,0,0,0|1,0,2]=4 3856 B14R0.393 C#CCNCCCCCCC(=O)OCC 34a_100000212058_100009814379 [0,1,0,0,0,0|1,0,2]=4 3857 B14R0.393 C#CCOCCCCCCC(=O)OCC 34a_100000210247_100009814379 [0,1,0,0,0,0|1,0,2]=4 3858 B14R0.393 C#CCSCCCCCCC(=O)OCC 62a_100000038162_100009814379 [0,1,0,0,0,0|1,0,2]=4 3859 B14R0.393 C/C=C/CCOCCCCC(=O)OCC 34a_100016278192_100000750268 [0,1,0,0,0,0|1,0,2]=4 3860 B14R0.393 C/C=C/COCCCCCC(=O)OCC 34a_100016270725_100000755133 [0,1,0,0,0,0|1,0,2]=4 3861 B14R0.393 C/C=C/COCCCCCC(=O)OCC 7a_100011214988_100102629194 [0,1,0,0,0,0|1,0,2]=4 3862 B14R0.393 C/C=C/CSCCCCCC(=O)OCC 62a_100000755133_100102629194 [0,1,0,0,0,0|1,0,2]=4 3863 B14R0.393 C/C=C/CSCCCCCC(=O)OCC 62a_100102629194_100000755133 [0,1,0,0,0,0|1,0,2]=4 3864 B14R0.393 C=CCCC/C=C/COCC(=O)OCC 34a_200016268473_100000188475 [0,1,0,0,0,0|1,0,2]=4 3865 B14R0.393 C=CCCC/C=C/COCC(=O)OCC 7a_200016268473_100000188475 [0,1,0,0,0,0|1,0,2]=4 3866 B14R0.393 C=CCCCCCCCCC(=O)C#CC 1458a_100000763181_100011933949 [0,1,0,0,0,0|1,0,0]=2 3867 B14R0.393 C=CCCCCCCCCC(=O)C=CBr 1458a_100016273825_100011933949 [0,1,0,0,0,0|1,0,1]=3 3868 B14R0.393 C=CCCCCCCCCC(=O)C=CC 1458a_100000210699_100011933949 [0,1,0,0,0,0|1,0,0]=2 3869 B14R0.393 C=CCCCCCCCCC(=O)C=CCl 1458a_200016279998_100011933949 [0,1,0,0,0,0|1,0,1]=3 3870 B14R0.393 C=CCCCCCCCCC(=O)C=CI 1458a_100016256311_100011933949 [0,1,0,0,0,0|1,0,1]=3 3871 B14R0.393 C=CCCCCCCCCC(=O)CC#N 1458a_100000211349_100011214920 [0,1,0,0,0,0|1,0,1]=3 3872 B14R0.393 C=CCCCCCCCCC(=O)CC#N 1458a_100051588842_100011933949 [0,1,0,0,0,0|1,0,1]=3 3873 B14R0.393 C=CCCCCCCCCC(=O)CC=C 1458a_100000210193_100011933949 [0,1,0,0,0,0|1,0,1]=3 3874 B14R0.393 C=CCCCCCCCCC(=O)CC=C 1458a_100000211349_100000210623 [0,1,0,0,0,0|1,0,1]=3 3875 B14R0.393 C=CCCCCCCCCC(=O)CCC 1458a_100000211349_100000210303 [0,1,0,0,0,0|1,0,0]=2 3876 B14R0.393 C=CCCCCCCCCC(=O)CCC 1458a_100000211992_100011933949 [0,1,0,0,0,0|1,0,0]=2 3877 B14R0.393 C=CCCCCCCCCC(=O)CCF 1458a_100000211349_100011217306 [0,1,0,0,0,0|1,0,0]=2 3878 B14R0.393 C=CCCCCCCCCC(=O)CCO 1458a_100000211349_100000211926 [0,1,0,0,0,0|1,0,0]=2 3879 B14R0.393 C=CCCCCCCCCC(=O)CCO 1458a_100011216618_100011933949 [0,1,0,0,0,0|1,0,0]=2 3880 B14R0.393 C=CCCCCCCCCC(=O)COC 1458a_100000210968_100011933949 [0,1,0,0,0,0|0,0,0]=1 3881 B14R0.393 C=CCCCCCCCCC(=O)CSC 1458a_100000184570_100011933949 [0,1,0,0,0,0|0,1,0]=2 3882 B14R0.393 C=CCCCCCCCCC(=O)NCC 11a_100015525214_100000211349 [0,1,0,0,0,0|1,0,0]=2 3883 B14R0.393 C=CCCCCCCCCC(=O)NCC 240690a_100015525214_100000211349 [0,1,0,0,0,0|1,0,0]=2 3884 B14R0.393 C=CCCCCCCCCC(=O)NCC 527a_100015525214_100000211349 [0,1,0,0,0,0|1,0,0]=2 3885 B14R0.393 C=CCCCCCCCCC(=O)NNC 22a_100016993582_100000211349 [0,1,0,0,0,0|1,0,0]=2 3886 B14R0.393 C=CCCCCCCCCN(C)CCC 2230a_100000747261_100011933949 [0,1,0,0,0,0|3,0,0]=4 3887 B14R0.393 C=CCCCCCCCCN(C)CCC 269982a_100000747261_100011933949 [0,1,0,0,0,0|3,0,0]=4 3888 B14R0.393 C=CCCCCCCCCN(C)CCO 2230a_100000210263_100011933949 [0,1,0,0,0,0|3,0,0]=4 3889 B14R0.393 C=CCCCCCCCCN(C)CCO 269982a_100000210263_100011933949 [0,1,0,0,0,0|3,0,0]=4 3890 B14R0.393 C=CCCCCCCCN[C@H](C)COC 2230a_100000764878_100012355270 [0,1,0,0,0,0|2,0,1]=4 3891 B14R0.393 C=CCCCCCCCOC(C)COC 34a_100000730831_100000765312 [0,1,0,0,0,0|2,0,1]=4 3892 B14R0.393 C=CCCCCCCCOC(C)COC 7a_100000730831_100000765312 [0,1,0,0,0,0|2,0,1]=4 3893 B14R0.393 C=CCCCCCCCO[C@H](C)COC 34a_100011934205_100012355270 [0,1,0,0,0,0|2,0,1]=4 3894 B14R0.393 C=CCCCCCCCSC(C)COC 62a_100000765312_100012355270 [0,1,0,0,0,0|2,0,1]=4 3895 B14R0.393 C=CCCCCCCCSC(C)COC 62a_100012355270_100000765312 [0,1,0,0,0,0|2,0,1]=4 3896 B14R0.393 C=CCCCCCCNCC(=O)NCC 2230a_100016988866_100011215473 [0,1,0,0,0,0|2,0,0]=3 3897 B14R0.393 C=CCCCCCCNCC(O)COC 2230a_100000756049_100011215473 [0,1,0,0,0,0|1,0,2]=4 3898 B14R0.393 C=CCCCCCCNCC(O)COC 34a_100000756049_100011215473 [0,1,0,0,0,0|1,0,2]=4 3899 B14R0.393 C=CCCCCCCOCC(=O)CCC 7a_200011216477_100000747444 [0,1,0,0,0,0|2,0,0]=3 3900 B14R0.393 C=CCCCCCCOCC(=O)NCC 34a_200011216477_100000183381 [0,1,0,0,0,0|2,0,0]=3 3901 B14R0.393 C=CCCCCCCOCC(=O)NCC 7a_200011216477_100000183381 [0,1,0,0,0,0|2,0,0]=3 3902 B14R0.393 C=CCCCCCCOCC(=O)NCO 34a_200011216477_100000185155 [0,1,0,0,0,0|2,0,0]=3 3903 B14R0.393 C=CCCCCCCOCC(=O)NCO 7a_200011216477_100000185155 [0,1,0,0,0,0|2,0,0]=3 3904 B14R0.393 C=CCCCCCCOCC(=O)OC=C 34a_200011216477_100000036128 [0,1,0,0,0,0|1,0,1]=3 3905 B14R0.393 C=CCCCCCCOCC(=O)OCC 34a_200011216477_100000188475 [0,1,0,0,0,0|1,0,0]=2 3906 B14R0.393 C=CCCCCCCOCC(=O)OCC 7a_200011216477_100000188475 [0,1,0,0,0,0|1,0,0]=2 3907 B14R0.393 C=CCCCCCCOCC(N)COC 34a_100000724102_100011215473 [0,1,0,0,0,0|2,0,1]=4 3908 B14R0.393 C=CCCCCCCOCC(O)COC 34a_200011216477_100011215053 [0,1,0,0,0,0|1,0,2]=4 3909 B14R0.393 C=CCCCCCCOCC(O)COC 7a_200011216477_100011215053 [0,1,0,0,0,0|1,0,2]=4 3910 B14R0.393 C=CCCCCCCSCC(=O)CCC 62a_100000747444_100011215473 [0,1,0,0,0,0|2,0,0]=3 3911 B14R0.393 C=CCCCCCCSCC(=O)CCC 62a_100011215473_100000747444 [0,1,0,0,0,0|2,0,0]=3 3912 B14R0.393 C=CCCCCCCSCC(=O)NCC 62a_100000183381_100011215473 [0,1,0,0,0,0|2,0,0]=3 3913 B14R0.393 C=CCCCCCCSCC(=O)NCC 62a_100011215473_100000183381 [0,1,0,0,0,0|2,0,0]=3 3914 B14R0.393 C=CCCCCCCSCC(=O)NCO 62a_100000185155_100011215473 [0,1,0,0,0,0|2,0,0]=3 3915 B14R0.393 C=CCCCCCCSCC(=O)NCO 62a_100011215473_100000185155 [0,1,0,0,0,0|2,0,0]=3 3916 B14R0.393 C=CCCCCCCSCC(=O)OC=C 62a_100000036128_100011215473 [0,1,0,0,0,0|1,0,1]=3 3917 B14R0.393 C=CCCCCCCSCC(=O)OC=C 62a_100011215473_100000036128 [0,1,0,0,0,0|1,0,1]=3 3918 B14R0.393 C=CCCCCCCSCC(=O)OCC 62a_100000188475_100011215473 [0,1,0,0,0,0|1,0,0]=2 3919 B14R0.393 C=CCCCCCCSCC(=O)OCC 62a_100011215473_100000188475 [0,1,0,0,0,0|1,0,0]=2 3920 B14R0.393 C=CCCCCCCSCC(O)COC 62a_100011215053_100011215473 [0,1,0,0,0,0|1,0,2]=4 3921 B14R0.393 C=CCCCCCCSCC(O)COC 62a_100011215473_100011215053 [0,1,0,0,0,0|1,0,2]=4 3922 B14R0.393 C=CCCCCCNCCC(=O)NCC 34a_100025743525_100000700193 [0,1,0,0,0,0|2,0,0]=3 3923 B14R0.393 C=CCCCCCOCCC(=O)NCC 7a_100011216702_100000737597 [0,1,0,0,0,0|2,0,0]=3 3924 B14R0.393 C=CCCCCCOCCC(=O)OCC 34a_100011216702_100000765890 [0,1,0,0,0,0|1,0,0]=2 3925 B14R0.393 C=CCCCCCOCCC(=O)OCC 7a_100011216702_100011206558 [0,1,0,0,0,0|1,0,0]=2 3926 B14R0.393 C=CCCCCCOCOC(=O)CCC 34a_100011216702_100000034017 [0,1,0,0,0,0|3,0,0]=4 3927 B14R0.393 C=CCCCCCSCCC(=O)NCC 62a_100000700193_100000737597 [0,1,0,0,0,0|2,0,0]=3 3928 B14R0.393 C=CCCCCCSCCC(=O)NCC 62a_100000737597_100000700193 [0,1,0,0,0,0|2,0,0]=3 3929 B14R0.393 C=CCCCCCSCCC(=O)OCC 62a_100000700193_100000765890 [0,1,0,0,0,0|1,0,0]=2 3930 B14R0.393 C=CCCCCCSCCC(=O)OCC 62a_100000765890_100000700193 [0,1,0,0,0,0|1,0,0]=2 3931 B14R0.393 C=CCCCCCSCOC(=O)CCC 62a_100000700193_100000034017 [0,1,0,0,0,0|3,0,0]=4 3932 B14R0.393 C=CCCCCCSCOC(=O)OCC 62a_100000700193_100000075025 [0,1,0,0,0,0|2,0,0]=3 3933 B14R0.393 C=CCCCCNC/C=C/C(=O)OCC 2230a_100000703577_100016267167 [0,1,0,0,0,0|1,0,2]=4 3934 B14R0.393 C=CCCCCNC/C=C/C(=O)OCC 34a_100000703577_100016267167 [0,1,0,0,0,0|1,0,2]=4 3935 B14R0.393 C=CCCCCNCCCC(=O)OCC 2230a_100000703577_100009991533 [0,1,0,0,0,0|1,0,0]=2 3936 B14R0.393 C=CCCCCNCCCC(=O)OCC 34a_100000703577_100009991533 [0,1,0,0,0,0|1,0,0]=2 3937 B14R0.393 C=CCCCCOC/C=C/C(=O)OCC 34a_100000766645_100016267167 [0,1,0,0,0,0|1,0,2]=4 3938 B14R0.393 C=CCCCCOC/C=C/C(=O)OCC 7a_100000766645_100016267167 [0,1,0,0,0,0|1,0,2]=4 3939 B14R0.393 C=CCCCCOCCCC(=O)OCC 34a_100000766645_100009991533 [0,1,0,0,0,0|1,0,0]=2 3940 B14R0.393 C=CCCCCOCCCC(=O)OCC 7a_100000766645_100011215271 [0,1,0,0,0,0|1,0,0]=2 3941 B14R0.393 C=CCCCCOCCCC(=O)OCC 7a_100012001163_100011215482 [0,1,0,0,0,0|1,0,0]=2 3942 B14R0.393 C=CCCCCOCCNC(=O)OCC 34a_100000158857_100011215482 [0,1,0,0,0,0|2,0,0]=3 3943 B14R0.393 C=CCCCCOCCNC(=O)OCC 7a_100000766645_200011445536 [0,1,0,0,0,0|2,0,0]=3 3944 B14R0.393 C=CCCCCSC/C=C/C(=O)OCC 62a_100011215482_100016267167 [0,1,0,0,0,0|1,0,2]=4 3945 B14R0.393 C=CCCCCSC/C=C/C(=O)OCC 62a_100016267167_100011215482 [0,1,0,0,0,0|1,0,2]=4 3946 B14R0.393 C=CCCCCSCCCC(=O)OCC 62a_100009991533_100011215482 [0,1,0,0,0,0|1,0,0]=2 3947 B14R0.393 C=CCCCCSCCCC(=O)OCC 62a_100011215482_100009991533 [0,1,0,0,0,0|1,0,0]=2 3948 B14R0.393 C=CCCCCSCCNC(=O)OCC 62a_100011215482_200011445536 [0,1,0,0,0,0|2,0,0]=3 3949 B14R0.393 C=CCCCNCCCCC(=O)OCC 2230a_100000700776_100000750268 [0,1,0,0,0,0|1,0,0]=2 3950 B14R0.393 C=CCCCNCCCCC(=O)OCC 34a_100000700776_100000750268 [0,1,0,0,0,0|1,0,0]=2 3951 B14R0.393 C=CCCCNCCOCC(=O)OCC 2230a_100000700776_100000088970 [0,1,0,0,0,0|2,0,0]=3 3952 B14R0.393 C=CCCCNCCOCC(=O)OCC 34a_100000700776_100000088970 [0,1,0,0,0,0|2,0,0]=3 3953 B14R0.393 C=CCCCOCCCCC(=O)OCC 34a_100000758997_100000750268 [0,1,0,0,0,0|1,0,0]=2 3954 B14R0.393 C=CCCCOCCCCC(=O)OCC 7a_100000758997_100000750268 [0,1,0,0,0,0|1,0,0]=2 3955 B14R0.393 C=CCCCOCCOCC(=O)OCC 34a_100000758997_100000088970 [0,1,0,0,0,0|2,0,0]=3 3956 B14R0.393 C=CCCCOCCOCC(=O)OCC 7a_100000758997_100000088970 [0,1,0,0,0,0|2,0,0]=3 3957 B14R0.393 C=CCCCOCCSCC(=O)OCC 7a_200000230590_100000757094 [0,1,0,0,0,0|2,0,0]=3 3958 B14R0.393 C=CCCCSCCCCC(=O)OCC 62a_100000750268_100000757094 [0,1,0,0,0,0|1,0,0]=2 3959 B14R0.393 C=CCCCSCCCCC(=O)OCC 62a_100011713584_100000750268 [0,1,0,0,0,0|1,0,0]=2 3960 B14R0.393 C=CCCCSCCOCC(=O)OCC 62a_100000088970_100000757094 [0,1,0,0,0,0|2,0,0]=3 3961 B14R0.393 C=CCCCSCCOCC(=O)OCC 62a_100011713584_100000088970 [0,1,0,0,0,0|2,0,0]=3 3962 B14R0.393 C=CCCNCCCCCC(=O)OCC 2230a_100015191253_100000755133 [0,1,0,0,0,0|1,0,0]=2 3963 B14R0.393 C=CCCNCCCOCC(=O)OCC 2230a_100015191253_100009893628 [0,1,0,0,0,0|2,0,0]=3 3964 B14R0.393 C=CCCOCCCCCC(=O)OCC 34a_100011205117_100000755133 [0,1,0,0,0,0|1,0,0]=2 3965 B14R0.393 C=CCCOCCCCCC(=O)OCC 7a_100011214988_100000754431 [0,1,0,0,0,0|1,0,0]=2 3966 B14R0.393 C=CCCOCCCOCC(=O)OCC 34a_100011205117_100009893628 [0,1,0,0,0,0|2,0,0]=3 3967 B14R0.393 C=CCCSCCCCCC(=O)OCC 62a_100000754431_100000755133 [0,1,0,0,0,0|1,0,0]=2 3968 B14R0.393 C=CCCSCCCCCC(=O)OCC 62a_100000755133_100000754431 [0,1,0,0,0,0|1,0,0]=2 3969 B14R0.393 C=CCCSCCCOCC(=O)OCC 62a_100000754431_100009893628 [0,1,0,0,0,0|2,0,0]=3 3970 B14R0.393 C=CCCSCCCOCC(=O)OCC 62a_100009893628_100000754431 [0,1,0,0,0,0|2,0,0]=3 3971 B14R0.393 C=CCNCCCCCCC(=O)OCC 2230a_100020586998_100009814379 [0,1,0,0,0,0|1,0,0]=2 3972 B14R0.393 C=CCOCCCCCCC(=O)OCC 34a_200000210373_100009814379 [0,1,0,0,0,0|1,0,0]=2 3973 B14R0.393 C=CCOCCOCCCC(=O)OCC 34a_100000037705_100009991533 [0,1,0,0,0,0|2,0,0]=3 3974 B14R0.393 C=CCOCCOCCCC(=O)OCC 7a_100000037705_100011215271 [0,1,0,0,0,0|2,0,0]=3 3975 B14R0.393 C=CCOCCOCCNC(=O)OCC 7a_100000037705_200011445536 [0,1,0,0,0,0|3,0,0]=4 3976 B14R0.393 C=CCSCCCCCCC(=O)OCC 62a_100000210623_100009814379 [0,1,0,0,0,0|1,0,0]=2 3977 B14R0.393 C=COCCCCOCCC(=O)NCC 7a_100000031558_100000737597 [0,1,0,0,0,0|3,0,0]=4 3978 B14R0.393 C=COCCCCOCCC(=O)OCC 34a_100000031558_100000765890 [0,1,0,0,0,0|2,0,0]=3 3979 B14R0.393 C=COCCCCOCCC(=O)OCC 7a_100000031558_100011206558 [0,1,0,0,0,0|2,0,0]=3 3980 B14R0.393 C=COCCCNCCCC(=O)OCC 2230a_100000210767_100009991533 [0,1,0,0,0,0|2,0,0]=3 3981 B14R0.393 C=COCCCNCCCC(=O)OCC 34a_100000210767_100009991533 [0,1,0,0,0,0|2,0,0]=3 3982 B14R0.393 C=COCCOCCCCC(=O)OCC 34a_100000033082_100000750268 [0,1,0,0,0,0|2,0,0]=3 3983 B14R0.393 C=COCCOCCOCC(=O)OCC 34a_100000033082_100000088970 [0,1,0,0,0,0|3,0,0]=4 3984 B14R0.393 C=COCCOCCOCC(=O)OCC 34a_100000039918_100000188475 [0,1,0,0,0,0|3,0,0]=4 3985 B14R0.393 C=COCCOCCOCC(=O)OCC 7a_100000039918_100000188475 [0,1,0,0,0,0|3,0,0]=4 3986 B14R0.393 C=COCCOCCSCC(=O)OCC 7a_200000230590_100000039644 [0,1,0,0,0,0|3,0,0]=4 3987 B14R0.393 C=COCCSCCCCC(=O)OCC 62a_100000039644_100000750268 [0,1,0,0,0,0|2,0,0]=3 3988 B14R0.393 C=COCCSCCCCC(=O)OCC 62a_100000750268_100000039644 [0,1,0,0,0,0|2,0,0]=3 3989 B14R0.393 C=COCCSCCOCC(=O)OCC 62a_100000039644_100000088970 [0,1,0,0,0,0|3,0,0]=4 3990 B14R0.393 C=COCCSCCOCC(=O)OCC 62a_100000088970_100000039644 [0,1,0,0,0,0|3,0,0]=4 3991 B14R0.393 CC#CC(=O)CCCCCCCCCC 1458a_100000763181_100000210319 [0,1,0,0,0,0|1,0,2]=4 3992 B14R0.393 CC#CC(=O)CCCCCCCCCO 1458a_100000763181_100009813782 [0,1,0,0,0,0|2,0,1]=4 3993 B14R0.393 CC=CC(=O)CCCCCCCCCC 1458a_100000210699_100000210319 [0,1,0,0,0,0|1,0,2]=4 3994 B14R0.393 CC=CC(=O)CCCCCCCCCO 1458a_100000210699_100009813782 [0,1,0,0,0,0|2,0,1]=4 3995 B14R0.393 CC=CCCCOCCCC(=O)OCC 34a_100020645299_100009991533 [0,1,0,0,0,0|1,0,2]=4 3996 B14R0.393 CC=CCOCCCCCC(=O)OCC 7a_100011214988_100000070051 [0,1,0,0,0,0|1,0,2]=4 3997 B14R0.393 CC=CCSCCCCCC(=O)OCC 62a_100000070051_100000755133 [0,1,0,0,0,0|1,0,2]=4 3998 B14R0.393 CC=CCSCCCCCC(=O)OCC 62a_100000755133_100000070051 [0,1,0,0,0,0|1,0,2]=4 3999 B14R0.393 CCCC(=O)CCCCCCCCCF 1458a_200009909015_100000210303 [0,1,0,0,0,0|2,0,1]=4 4000 B14R0.393 CCCC(=O)CCCCCCCCCO 1458a_100000211992_100009813782 [0,1,0,0,0,0|2,0,1]=4 4001 B14R0.393 CCCCCCCCCCC(=O)CCC 1458a_100000210375_100000210303 [0,1,0,0,0,0|1,0,2]=4 4002 B14R0.393 CCCCCCCCCCC(=O)CCC 1458a_100000211992_100000210319 [0,1,0,0,0,0|1,0,2]=4 4003 B14R0.393 CCCCCCCCCCC(=O)CCF 1458a_100000210375_100011217306 [0,1,0,0,0,0|1,0,2]=4 4004 B14R0.393 CCCCCCCCCCC(=O)CCO 1458a_100000210375_100000211926 [0,1,0,0,0,0|1,0,2]=4 4005 B14R0.393 CCCCCCCCCCC(=O)CCO 1458a_100011216618_100000210319 [0,1,0,0,0,0|1,0,2]=4 4006 B14R0.393 CCCCCCCCCCC(=O)COC 1458a_100000210968_100000210319 [0,1,0,0,0,0|0,0,2]=3 4007 B14R0.393 CCCCCCCCCCC(=O)CSC 1458a_100000184570_100000210319 [0,1,0,0,0,0|0,1,2]=4 4008 B14R0.393 CCCCCCCCCCC(=O)NCC 11a_100015525214_100000210375 [0,1,0,0,0,0|1,0,2]=4 4009 B14R0.393 CCCCCCCCCCC(=O)NCC 240690a_100015525214_100000210375 [0,1,0,0,0,0|1,0,2]=4 4010 B14R0.393 CCCCCCCCCCC(=O)NNC 22a_100016993582_100000210375 [0,1,0,0,0,0|1,0,2]=4 4011 B14R0.393 CCCCCCCCCNC(=O)COC 11a_100000212291_100000210968 [0,1,0,0,0,0|1,0,2]=4 4012 B14R0.393 CCCCCCCCCNC(=O)COC 1626a_100000212291_100000210968 [0,1,0,0,0,0|1,0,2]=4 4013 B14R0.393 CCCCCCCCCNC(=O)COC 240690a_100000212291_100000210968 [0,1,0,0,0,0|1,0,2]=4 4014 B14R0.393 CCCCCCCCCNC(=O)COC 527a_100000212291_100000210968 [0,1,0,0,0,0|1,0,2]=4 4015 B14R0.393 CCCCCCCCNCC(=O)OCC 2230a_100000229939_100000188475 [0,1,0,0,0,0|1,0,2]=4 4016 B14R0.393 CCCCCCCCNCC(=O)OCC 34a_100000229939_100000188475 [0,1,0,0,0,0|1,0,2]=4 4017 B14R0.393 CCCCCCCCOCC(=O)OCC 34a_100000210232_100000188475 [0,1,0,0,0,0|1,0,2]=4 4018 B14R0.393 CCCCCCCCOCC(=O)OCC 7a_100000210232_100000188475 [0,1,0,0,0,0|1,0,2]=4 4019 B14R0.393 CCCCCCCCSCC(=O)OCC 62a_100000188475_100000210317 [0,1,0,0,0,0|1,0,2]=4 4020 B14R0.393 CCCCCCCCSCC(=O)OCC 62a_100000210759_100000188475 [0,1,0,0,0,0|1,0,2]=4 4021 B14R0.393 CCCCCCCNCCC(=O)OCC 2230a_100000229938_100011206558 [0,1,0,0,0,0|1,0,2]=4 4022 B14R0.393 CCCCCCCOCCC(=O)OCC 34a_100000210272_100000765890 [0,1,0,0,0,0|1,0,2]=4 4023 B14R0.393 CCCCCCCOCCC(=O)OCC 7a_100000210272_100011206558 [0,1,0,0,0,0|1,0,2]=4 4024 B14R0.393 CCCCCCCSCCC(=O)OCC 62a_100000210614_100000765890 [0,1,0,0,0,0|1,0,2]=4 4025 B14R0.393 CCCCCCCSCCC(=O)OCC 62a_100000765890_100000210316 [0,1,0,0,0,0|1,0,2]=4 4026 B14R0.393 CCCCCCNCCCC(=O)OCC 2230a_100000210581_100009991533 [0,1,0,0,0,0|1,0,2]=4 4027 B14R0.393 CCCCCCOCCCC(=O)OCC 34a_100000210259_100009991533 [0,1,0,0,0,0|1,0,2]=4 4028 B14R0.393 CCCCCCOCCCC(=O)OCC 7a_100000210259_100011215271 [0,1,0,0,0,0|1,0,2]=4 4029 B14R0.393 CCCCCCOCCCC(=O)OCC 7a_100012001163_100000210314 [0,1,0,0,0,0|1,0,2]=4 4030 B14R0.393 CCCCCCSCCCC(=O)OCC 62a_100000210314_100009991533 [0,1,0,0,0,0|1,0,2]=4 4031 B14R0.393 CCCCCCSCCCC(=O)OCC 62a_100009991533_100000210757 [0,1,0,0,0,0|1,0,2]=4 4032 B14R0.393 CCCCCNCCCCC(=O)OCC 2230a_100000209983_100000750268 [0,1,0,0,0,0|1,0,2]=4 4033 B14R0.393 CCCCCOCCCCC(=O)OCC 34a_100000210253_100000750268 [0,1,0,0,0,0|1,0,2]=4 4034 B14R0.393 CCCCCOCCCCC(=O)OCC 7a_100000210253_100000750268 [0,1,0,0,0,0|1,0,2]=4 4035 B14R0.393 CCCCCSCCCCC(=O)OCC 62a_100000210326_100000750268 [0,1,0,0,0,0|1,0,2]=4 4036 B14R0.393 CCCCCSCCCCC(=O)OCC 62a_100000750268_100000210326 [0,1,0,0,0,0|1,0,2]=4 4037 B14R0.393 CCCCNCCCCCC(=O)OCC 2230a_100000102301_100000755133 [0,1,0,0,0,0|1,0,2]=4 4038 B14R0.393 CCCCNCCCCCC(=O)OCC 7a_106832991798_100000755133 [0,1,0,0,0,0|1,0,2]=4 4039 B14R0.393 CCCCOCCCCCC(=O)OCC 34a_100000210227_100000755133 [0,1,0,0,0,0|1,0,2]=4 4040 B14R0.393 CCCCOCCCCCC(=O)OCC 7a_100000210227_100000755133 [0,1,0,0,0,0|1,0,2]=4 4041 B14R0.393 CCCCOCCCCCC(=O)OCC 7a_100011214988_100000210211 [0,1,0,0,0,0|1,0,2]=4 4042 B14R0.393 CCCCSCCCCCC(=O)OCC 62a_100000210211_100000755133 [0,1,0,0,0,0|1,0,2]=4 4043 B14R0.393 CCCCSCCCCCC(=O)OCC 62a_100000755133_100000210210 [0,1,0,0,0,0|1,0,2]=4 4044 B14R0.393 CCCOCCCCCCC(=O)OCC 34a_100000210258_100009814379 [0,1,0,0,0,0|1,0,2]=4 4045 B14R0.393 CCCSCCCCCCC(=O)OCC 62a_100000210303_100009814379 [0,1,0,0,0,0|1,0,2]=4 4046 B14R0.393 CCNC(=O)CCCCCCCCCF 11a_100015525214_200009909015 [0,1,0,0,0,0|2,0,1]=4 4047 B14R0.393 CCNC(=O)CCCCCCCCCF 240690a_100015525214_200009909015 [0,1,0,0,0,0|2,0,1]=4 4048 B14R0.393 CCNC(=O)CCCCCCCCCF 527a_100015525214_200009909015 [0,1,0,0,0,0|2,0,1]=4 4049 B14R0.393 CCNC(=O)CCCCCCCCCO 240690a_100015525214_100000032657 [0,1,0,0,0,0|2,0,1]=4 4050 B14R0.393 CCNC(=O)CCSCCCCCC=O 62a_100000139337_100000737597 [0,1,0,0,0,0|3,0,0]=4 4051 B14R0.393 CCNC(=O)CCSCCCCCC=O 62a_100000737597_100000139337 [0,1,0,0,0,0|3,0,0]=4 4052 B14R0.393 CCNCCCCCCCC(=O)OCC 2230a_100015525214_100009991516 [0,1,0,0,0,0|1,0,2]=4 4053 B14R0.393 CCOC(=O)CCCCCCCCNC 2230a_106832991635_100010175975 [0,1,0,0,0,0|1,0,1]=3 4054 B14R0.393 CCOC(=O)CCCCCCCCNC 34a_100102657272_100010175975 [0,1,0,0,0,0|1,0,1]=3 4055 B14R0.393 CCOC(=O)CCCCCCCCNC 7a_106832991635_100010175975 [0,1,0,0,0,0|1,0,1]=3 4056 B14R0.393 CCOC(=O)CCCCCCCCOC 34a_100138415774_100010175975 [0,1,0,0,0,0|1,0,1]=3 4057 B14R0.393 CCOC(=O)CCCCCCCCSC 62a_200000210301_100010175975 [0,1,0,0,0,0|1,0,1]=3 4058 B14R0.393 CCOC(=O)CCCCCCCCS[13CH3] 62a_200025704644_100010175975 [0,1,0,0,0,0|1,0,1]=3 4059 B14R0.393 CCOC(=O)CCCCCCCSCC 62a_100000210202_100009991516 [0,1,0,0,0,0|1,0,2]=4 4060 B14R0.393 CCOC(=O)CCCCCCCSCF 62a_100015361967_100009991516 [0,1,0,0,0,0|2,0,1]=4 4061 B14R0.393 CCOC(=O)CCCCCCNCCF 34a_100000724931_100009814379 [0,1,0,0,0,0|2,0,1]=4 4062 B14R0.393 CCOC(=O)CCCCCCNCCO 2230a_100016997473_100009814379 [0,1,0,0,0,0|2,0,1]=4 4063 B14R0.393 CCOC(=O)CCCCCCNCCO 34a_100016990907_100009814379 [0,1,0,0,0,0|2,0,1]=4 4064 B14R0.393 CCOC(=O)CCCCCCOCCBr 34a_100000211926_100009814379 [0,1,0,0,0,0|2,0,1]=4 4065 B14R0.393 CCOC(=O)CCCCCCOCCN 34a_100000210304_100009814379 [0,1,0,0,0,0|2,0,1]=4 4066 B14R0.393 CCOC(=O)CCCCCCSCC#N 62a_100011215382_100009814379 [0,1,0,0,0,0|2,0,1]=4 4067 B14R0.393 CCOC(=O)CCCCCCSCC=O 62a_200015260668_100009814379 [0,1,0,0,0,0|2,0,0]=3 4068 B14R0.393 CCOC(=O)CCCCCCSCCF 62a_100011217306_100009814379 [0,1,0,0,0,0|2,0,1]=4 4069 B14R0.393 CCOC(=O)CCCCCCSCCO 62a_100000211926_100009814379 [0,1,0,0,0,0|2,0,1]=4 4070 B14R0.393 CCOC(=O)CCCCCCSCOC 62a_100000766300_100009814379 [0,1,0,0,0,0|2,0,1]=4 4071 B14R0.393 CCOC(=O)CCCCCCSCSC 62a_100011218213_100009814379 [0,1,0,0,0,0|2,0,1]=4 4072 B14R0.393 CCOC(=O)CCCCCNCCCF 2230a_100015189416_100000755133 [0,1,0,0,0,0|2,0,1]=4 4073 B14R0.393 CCOC(=O)CCCCCNCCCF 34a_100015189416_100000755133 [0,1,0,0,0,0|2,0,1]=4 4074 B14R0.393 CCOC(=O)CCCCCNCCOC 2230a_100000209980_100000755133 [0,1,0,0,0,0|2,0,1]=4 4075 B14R0.393 CCOC(=O)CCCCCNCCSC 2230a_100020590264_100000755133 [0,1,0,0,0,0|2,0,1]=4 4076 B14R0.393 CCOC(=O)CCCCCOCCC#N 7a_100011214988_100000184422 [0,1,0,0,0,0|2,0,1]=4 4077 B14R0.393 CCOC(=O)CCCCCOCCCBr 34a_100011217188_100000755133 [0,1,0,0,0,0|2,0,1]=4 4078 B14R0.393 CCOC(=O)CCCCCOCCCCl 34a_100000230001_100000755133 [0,1,0,0,0,0|2,0,1]=4 4079 B14R0.393 CCOC(=O)CCCCCOCCCF 34a_100000759539_100000755133 [0,1,0,0,0,0|2,0,1]=4 4080 B14R0.393 CCOC(=O)CCCCCOCCCF 7a_100011214988_100011934791 [0,1,0,0,0,0|2,0,1]=4 4081 B14R0.393 CCOC(=O)CCCCCOCCCN 34a_100000182051_100000755133 [0,1,0,0,0,0|2,0,1]=4 4082 B14R0.393 CCOC(=O)CCCCCOCCCO 7a_100011214988_100011215043 [0,1,0,0,0,0|2,0,1]=4 4083 B14R0.393 CCOC(=O)CCCCCOCCOC 34a_100000210237_100000755133 [0,1,0,0,0,0|2,0,1]=4 4084 B14R0.393 CCOC(=O)CCCCCOCCOC 7a_100011214988_100000233755 [0,1,0,0,0,0|2,0,1]=4 4085 B14R0.393 CCOC(=O)CCCCCOCCON 34a_100000700252_100000755133 [0,1,0,0,0,0|3,0,0]=4 4086 B14R0.393 CCOC(=O)CCCCCOCCSC 34a_100000230434_100000755133 [0,1,0,0,0,0|2,0,1]=4 4087 B14R0.393 CCOC(=O)CCCCCOCCSC 7a_100000230434_100000755133 [0,1,0,0,0,0|2,0,1]=4 4088 B14R0.393 CCOC(=O)CCCCCOCCSC 7a_100011214988_100000212216 [0,1,0,0,0,0|2,0,1]=4 4089 B14R0.393 CCOC(=O)CCCCCSCCC#N 62a_100000755133_100011215226 [0,1,0,0,0,0|2,0,1]=4 4090 B14R0.393 CCOC(=O)CCCCCSCCC#N 62a_100011215226_100000755133 [0,1,0,0,0,0|2,0,1]=4 4091 B14R0.393 CCOC(=O)CCCCCSCCCF 62a_100000755133_100011934791 [0,1,0,0,0,0|2,0,1]=4 4092 B14R0.393 CCOC(=O)CCCCCSCCCF 62a_100011934791_100000755133 [0,1,0,0,0,0|2,0,1]=4 4093 B14R0.393 CCOC(=O)CCCCCSCCCO 62a_100000755133_100011215043 [0,1,0,0,0,0|2,0,1]=4 4094 B14R0.393 CCOC(=O)CCCCCSCCCO 62a_100011215043_100000755133 [0,1,0,0,0,0|2,0,1]=4 4095 B14R0.393 CCOC(=O)CCCCCSCCOC 62a_100000233755_100000755133 [0,1,0,0,0,0|2,0,1]=4 4096 B14R0.393 CCOC(=O)CCCCCSCCOC 62a_100000755133_100000233755 [0,1,0,0,0,0|2,0,1]=4 4097 B14R0.393 CCOC(=O)CCCCCSCCSC 62a_100000212216_100000755133 [0,1,0,0,0,0|2,0,1]=4 4098 B14R0.393 CCOC(=O)CCCCCSCCSC 62a_100000755133_100000751147 [0,1,0,0,0,0|2,0,1]=4 4099 B14R0.393 CCOC(=O)CCCCNCCCCO 2230a_100000750430_100000750268 [0,1,0,0,0,0|2,0,1]=4 4100 B14R0.393 CCOC(=O)CCCCNCCCCO 34a_100000750430_100000750268 [0,1,0,0,0,0|2,0,1]=4 4101 B14R0.393 CCOC(=O)CCCCNCCCOC 34a_100150723488_100000750268 [0,1,0,0,0,0|2,0,1]=4 4102 B14R0.393 CCOC(=O)CCCCNCCCSC 2230a_100000749238_100000750268 [0,1,0,0,0,0|2,0,1]=4 4103 B14R0.393 CCOC(=O)CCCCOCCCCBr 34a_100011216708_100000750268 [0,1,0,0,0,0|2,0,1]=4 4104 B14R0.393 CCOC(=O)CCCCOCCCCCl 34a_100000210776_100000750268 [0,1,0,0,0,0|2,0,1]=4 4105 B14R0.393 CCOC(=O)CCCCOCCCCCl 7a_100000210776_100000750268 [0,1,0,0,0,0|2,0,1]=4 4106 B14R0.393 CCOC(=O)CCCCOCCCCF 34a_100011995726_100000750268 [0,1,0,0,0,0|2,0,1]=4 4107 B14R0.393 CCOC(=O)CCCCOCCCCF 7a_100011995726_100000750268 [0,1,0,0,0,0|2,0,1]=4 4108 B14R0.393 CCOC(=O)CCCCOCCCCI 34a_200012148704_100000750268 [0,1,0,0,0,0|2,0,1]=4 4109 B14R0.393 CCOC(=O)CCCCOCCCCN 34a_100000750430_100000750268 [0,1,0,0,0,0|2,0,1]=4 4110 B14R0.393 CCOC(=O)CCCCOCCCNC 34a_100000213112_100000750268 [0,1,0,0,0,0|2,0,1]=4 4111 B14R0.393 CCOC(=O)CCCCOCCCOC 34a_100000740835_100000750268 [0,1,0,0,0,0|2,0,1]=4 4112 B14R0.393 CCOC(=O)CCCCOCCCSC 34a_100000690336_100000750268 [0,1,0,0,0,0|2,0,1]=4 4113 B14R0.393 CCOC(=O)CCCCOCCCSC 7a_100000690336_100000750268 [0,1,0,0,0,0|2,0,1]=4 4114 B14R0.393 CCOC(=O)CCCCSCCCC#N 62a_100000687738_100000750268 [0,1,0,0,0,0|2,0,1]=4 4115 B14R0.393 CCOC(=O)CCCCSCCCC#N 62a_100000750268_100000687738 [0,1,0,0,0,0|2,0,1]=4 4116 B14R0.393 CCOC(=O)CCCCSCCCC=O 62a_100000750268_200011292268 [0,1,0,0,0,0|2,0,0]=3 4117 B14R0.393 CCOC(=O)CCCCSCCCC=O 62a_200011292268_100000750268 [0,1,0,0,0,0|2,0,0]=3 4118 B14R0.393 CCOC(=O)CCCCSCCCCF 62a_100000729493_100000750268 [0,1,0,0,0,0|2,0,1]=4 4119 B14R0.393 CCOC(=O)CCCCSCCCCF 62a_100000750268_100000729493 [0,1,0,0,0,0|2,0,1]=4 4120 B14R0.393 CCOC(=O)CCCCSCCCCO 62a_100000210776_100000750268 [0,1,0,0,0,0|2,0,1]=4 4121 B14R0.393 CCOC(=O)CCCCSCCCCO 62a_100000750268_100000210776 [0,1,0,0,0,0|2,0,1]=4 4122 B14R0.393 CCOC(=O)CCCCSCCCOC 62a_100000709357_100000750268 [0,1,0,0,0,0|2,0,1]=4 4123 B14R0.393 CCOC(=O)CCCCSCCCOC 62a_100000750268_100000709357 [0,1,0,0,0,0|2,0,1]=4 4124 B14R0.393 CCOC(=O)CCCNCCCCCO 2230a_100000762737_100009991533 [0,1,0,0,0,0|2,0,1]=4 4125 B14R0.393 CCOC(=O)CCCNCCCCCO 34a_100000762737_100009991533 [0,1,0,0,0,0|2,0,1]=4 4126 B14R0.393 CCOC(=O)CCCOCCCCC#N 7a_100012001163_100000211819 [0,1,0,0,0,0|2,0,1]=4 4127 B14R0.393 CCOC(=O)CCCOCCCCC=O 7a_100012001163_100000139335 [0,1,0,0,0,0|2,0,0]=3 4128 B14R0.393 CCOC(=O)CCCOCCCCCBr 34a_100000746331_100009991533 [0,1,0,0,0,0|2,0,1]=4 4129 B14R0.393 CCOC(=O)CCCOCCCCCBr 7a_100000746331_100011215271 [0,1,0,0,0,0|2,0,1]=4 4130 B14R0.393 CCOC(=O)CCCOCCCCCCl 34a_100000746330_100009991533 [0,1,0,0,0,0|2,0,1]=4 4131 B14R0.393 CCOC(=O)CCCOCCCCCCl 7a_100000746330_100011215271 [0,1,0,0,0,0|2,0,1]=4 4132 B14R0.393 CCOC(=O)CCCOCCCCCF 7a_100012001163_100000729378 [0,1,0,0,0,0|2,0,1]=4 4133 B14R0.393 CCOC(=O)CCCOCCCCCI 34a_200012148887_100009991533 [0,1,0,0,0,0|2,0,1]=4 4134 B14R0.393 CCOC(=O)CCCOCCCCCI 7a_200012148887_100011215271 [0,1,0,0,0,0|2,0,1]=4 4135 B14R0.393 CCOC(=O)CCCOCCCCCN 34a_100000762737_100009991533 [0,1,0,0,0,0|2,0,1]=4 4136 B14R0.393 CCOC(=O)CCCOCCCCCO 7a_100012001163_100000746330 [0,1,0,0,0,0|2,0,1]=4 4137 B14R0.393 CCOC(=O)CCCOCCCCOC 34a_100000740925_100009991533 [0,1,0,0,0,0|2,0,1]=4 4138 B14R0.393 CCOC(=O)CCCOCCCCOC 7a_100012001163_100000730899 [0,1,0,0,0,0|2,0,1]=4 4139 B14R0.393 CCOC(=O)CCCOCCCCSC 34a_100011217163_100009991533 [0,1,0,0,0,0|2,0,1]=4 4140 B14R0.393 CCOC(=O)CCCOCCCCSC 7a_100011217163_100011215271 [0,1,0,0,0,0|2,0,1]=4 4141 B14R0.393 CCOC(=O)CCCSCCCCC#N 62a_100009991533_100000211819 [0,1,0,0,0,0|2,0,1]=4 4142 B14R0.393 CCOC(=O)CCCSCCCCC#N 62a_100011219923_100009991533 [0,1,0,0,0,0|2,0,1]=4 4143 B14R0.393 CCOC(=O)CCCSCCCCC=O 62a_100000139335_100009991533 [0,1,0,0,0,0|2,0,0]=3 4144 B14R0.393 CCOC(=O)CCCSCCCCC=O 62a_100009991533_100000139335 [0,1,0,0,0,0|2,0,0]=3 4145 B14R0.393 CCOC(=O)CCCSCCCCCF 62a_100000729378_100009991533 [0,1,0,0,0,0|2,0,1]=4 4146 B14R0.393 CCOC(=O)CCCSCCCCCF 62a_100009991533_100000729378 [0,1,0,0,0,0|2,0,1]=4 4147 B14R0.393 CCOC(=O)CCCSCCCCCO 62a_100000746330_100009991533 [0,1,0,0,0,0|2,0,1]=4 4148 B14R0.393 CCOC(=O)CCCSCCCCCO 62a_100009991533_100000746330 [0,1,0,0,0,0|2,0,1]=4 4149 B14R0.393 CCOC(=O)CCCSCCCCOC 62a_100000730899_100009991533 [0,1,0,0,0,0|2,0,1]=4 4150 B14R0.393 CCOC(=O)CCCSCCCCOC 62a_100009991533_100000730899 [0,1,0,0,0,0|2,0,1]=4 4151 B14R0.393 CCOC(=O)CCNCCCCCCO 2230a_100000686447_100011206558 [0,1,0,0,0,0|2,0,1]=4 4152 B14R0.393 CCOC(=O)CCNCCCCCCO 34a_100000686447_100000765890 [0,1,0,0,0,0|2,0,1]=4 4153 B14R0.393 CCOC(=O)CCNCCCCCOC 2230a_100000747528_100011206558 [0,1,0,0,0,0|2,0,1]=4 4154 B14R0.393 CCOC(=O)CCNCCCCCOC 34a_100000747528_100000765890 [0,1,0,0,0,0|2,0,1]=4 4155 B14R0.393 CCOC(=O)CCOCCCCCCBr 34a_100011215345_100000765890 [0,1,0,0,0,0|2,0,1]=4 4156 B14R0.393 CCOC(=O)CCOCCCCCCBr 7a_100011215345_100011206558 [0,1,0,0,0,0|2,0,1]=4 4157 B14R0.393 CCOC(=O)CCOCCCCCCCl 34a_100000766143_100000765890 [0,1,0,0,0,0|2,0,1]=4 4158 B14R0.393 CCOC(=O)CCOCCCCCCCl 7a_100000766143_100011206558 [0,1,0,0,0,0|2,0,1]=4 4159 B14R0.393 CCOC(=O)CCOCCCCCCF 34a_100000732779_100000765890 [0,1,0,0,0,0|2,0,1]=4 4160 B14R0.393 CCOC(=O)CCOCCCCCCF 7a_100000732779_100011206558 [0,1,0,0,0,0|2,0,1]=4 4161 B14R0.393 CCOC(=O)CCOCCCCCCN 34a_100000686447_100000765890 [0,1,0,0,0,0|2,0,1]=4 4162 B14R0.393 CCOC(=O)CCOCCCCCNC 34a_100000722520_100000765890 [0,1,0,0,0,0|2,0,1]=4 4163 B14R0.393 CCOC(=O)CCSCCCCCC#N 62a_100000765890_100009813376 [0,1,0,0,0,0|2,0,1]=4 4164 B14R0.393 CCOC(=O)CCSCCCCCC#N 62a_100009813376_100000765890 [0,1,0,0,0,0|2,0,1]=4 4165 B14R0.393 CCOC(=O)CCSCCCCCC=O 62a_100000139337_100000765890 [0,1,0,0,0,0|2,0,0]=3 4166 B14R0.393 CCOC(=O)CCSCCCCCC=O 62a_100000765890_100000139337 [0,1,0,0,0,0|2,0,0]=3 4167 B14R0.393 CCOC(=O)CCSCCCCCCF 62a_100000765890_100015922095 [0,1,0,0,0,0|2,0,1]=4 4168 B14R0.393 CCOC(=O)CCSCCCCCCF 62a_100015922095_100000765890 [0,1,0,0,0,0|2,0,1]=4 4169 B14R0.393 CCOC(=O)CCSCCCCCCO 62a_100000765890_100000766143 [0,1,0,0,0,0|2,0,1]=4 4170 B14R0.393 CCOC(=O)CCSCCCCCCO 62a_100000766143_100000765890 [0,1,0,0,0,0|2,0,1]=4 4171 B14R0.393 CCOC(=O)CNCCCCCCCO 2230a_100011996573_100000188475 [0,1,0,0,0,0|2,0,1]=4 4172 B14R0.393 CCOC(=O)CNCCCCCCCO 34a_100011996573_100000188475 [0,1,0,0,0,0|2,0,1]=4 4173 B14R0.393 CCOC(=O)COCCCCCCCBr 34a_100000760002_100000188475 [0,1,0,0,0,0|2,0,1]=4 4174 B14R0.393 CCOC(=O)COCCCCCCCBr 7a_100000760002_100000188475 [0,1,0,0,0,0|2,0,1]=4 4175 B14R0.393 CCOC(=O)COCCCCCCCN 34a_100011996573_100000188475 [0,1,0,0,0,0|2,0,1]=4 4176 B14R0.393 CCOC(=O)COCCCCCCOC 34a_200012092642_100000188475 [0,1,0,0,0,0|2,0,1]=4 4177 B14R0.393 CCOC(=O)COCCCCCCOC 7a_200012092642_100000188475 [0,1,0,0,0,0|2,0,1]=4 4178 B14R0.393 CCOC(=O)COCCSCCCC=O 62a_100000088970_200011292268 [0,1,0,0,0,0|3,0,0]=4 4179 B14R0.393 CCOC(=O)COCCSCCCC=O 62a_200011292268_100000088970 [0,1,0,0,0,0|3,0,0]=4 4180 B14R0.393 CCOC(=O)CSCCCCCCC#N 62a_100000188475_100009813337 [0,1,0,0,0,0|2,0,1]=4 4181 B14R0.393 CCOC(=O)CSCCCCCCC#N 62a_100009813337_100000188475 [0,1,0,0,0,0|2,0,1]=4 4182 B14R0.393 CCOC(=O)CSCCCCCCCO 62a_100000188475_100000760002 [0,1,0,0,0,0|2,0,1]=4 4183 B14R0.393 CCOC(=O)CSCCCCCCCO 62a_100000760002_100000188475 [0,1,0,0,0,0|2,0,1]=4 4184 B14R0.393 CCOC(=O)CSCCCCCCOC 62a_100000188475_100011998445 [0,1,0,0,0,0|2,0,1]=4 4185 B14R0.393 CCOC(=O)CSCCCCCCOC 62a_100011998445_100000188475 [0,1,0,0,0,0|2,0,1]=4 4186 B14R0.393 CCOC(=O)CSCCOCCCC=O 7a_200000230590_200011292268 [0,1,0,0,0,0|3,0,0]=4 4187 B14R0.393 CCOC(=O)NCCSCCCCC=O 62a_100000139335_200011445536 [0,1,0,0,0,0|3,0,0]=4 4188 B14R0.393 CCOC(=O)OCSCCCCCC=O 62a_100000139337_100000075025 [0,1,0,0,0,0|3,0,0]=4 4189 B14R0.393 CCOCCCCCCCC(=O)OCC 34a_100121572206_100009991516 [0,1,0,0,0,0|1,0,2]=4 4190 B14R0.393 CNNC(=O)CCCCCCCCCF 22a_100016993582_200009909015 [0,1,0,0,0,0|2,0,1]=4 4191 B14R0.393 CNNC(=O)CCCCCCCCCO 22a_100016993582_100000032657 [0,1,0,0,0,0|2,0,1]=4 4192 B14R0.393 COCC(=O)CCCCCCCCCO 1458a_100000210968_100009813782 [0,1,0,0,0,0|1,0,1]=3 4193 B14R0.393 COCC(=O)NCCCCCCCCO 240690a_102515433106_100000210968 [0,1,0,0,0,0|2,0,1]=4 4194 B14R0.393 CSCC(=O)CCCCCCCCCO 1458a_100000184570_100009813782 [0,1,0,0,0,0|1,1,1]=4 4195 B14R0.393 O=C(CCF)CCCCCCCCCF 1458a_200009909015_100011217306 [0,1,0,0,0,0|2,0,1]=4 4196 B14R0.393 O=C(CCO)CCCCCCCCCF 1458a_200009909015_100000211926 [0,1,0,0,0,0|2,0,1]=4 4197 B14R0.393 O=C(CCO)CCCCCCCCCO 1458a_100011216618_100009813782 [0,1,0,0,0,0|2,0,1]=4 4198 B14R0.2056 C=CCCCCCCNCC(C)(C)OC 2230a_100000763424_100011215473 [0,1,0,0,0,0|2,0,1]=4 4199 B14R0.2056 C=CCCCCCCOCC(C)(C)OC 34a_200011216477_100000701081 [0,1,0,0,0,0|2,0,1]=4 4200 B14R0.2056 C=CCCCCCCSCC(C)(C)OC 62a_100000701081_100011215473 [0,1,0,0,0,0|2,0,1]=4 4201 B14R0.2056 C=CCCCCCCSCC(C)(C)OC 62a_100011215473_100000701081 [0,1,0,0,0,0|2,0,1]=4 4202 B14R0.2056 C=CCCCCCNCCS(=O)(=O)CC 2230a_100000751051_100000700193 [0,1,0,0,0,0|3,0,0]=4 4203 B14R0.2056 C=CCCCCCNCCS(=O)(=O)CC 34a_100000751051_100000700193 [0,1,0,0,0,0|3,0,0]=4 4204 B14R0.2056 C=CCCCCCNCCS(=O)(=O)NC 2230a_100000710037_100000700193 [0,1,0,0,0,0|3,0,0]=4 4205 B14R0.2056 C=CCCCCCNCCS(=O)(=O)NC 34a_100000710037_100000700193 [0,1,0,0,0,0|3,0,0]=4 4206 B14R0.2056 C=CCCCCCOCCC(C)(C)OC 7a_100000699976_100000700193 [0,1,0,0,0,0|2,0,1]=4 4207 B14R0.2056 C=CCCCCCOCCS(=O)(=O)CC 34a_100011216702_100000756660 [0,1,0,0,0,0|3,0,0]=4 4208 B14R0.2056 C=CCCCCCOCCS(=O)(=O)CC 34a_200011216379_100000700193 [0,1,0,0,0,0|3,0,0]=4 4209 B14R0.2056 C=CCCCCCOCCS(=O)(=O)CC 7a_100011216702_100000756660 [0,1,0,0,0,0|3,0,0]=4 4210 B14R0.2056 C=CCCCCCOCCS(=O)(=O)CC 7a_200011216379_100000700193 [0,1,0,0,0,0|3,0,0]=4 4211 B14R0.2056 C=CCCCCCSCCS(=O)(=O)CC 62a_100000700193_100000756660 [0,1,0,0,0,0|3,0,0]=4 4212 B14R0.2056 C=CCCCCCSCCS(=O)(=O)CC 62a_100000756660_100000700193 [0,1,0,0,0,0|3,0,0]=4 4213 B14R0.2297 C=CCCCCCCCCN(CC)CC 2230a_100000724800_100011933949 [0,1,0,0,0,0|3,0,0]=4 4214 B14R0.2297 C=CCCCCCCCCN(CC)CC 269956a_100000042499_100011933949 [0,1,0,0,0,0|3,0,0]=4 4215 B14R0.2297 C=CCCCCCCCCN(CC)CC 269982a_100000724800_100011933949 [0,1,0,0,0,0|3,0,0]=4 4216 B14R0.2297 C=CCCCCCCOCC(CC)OC 34a_100011934954_100011215473 [0,1,0,0,0,0|2,0,1]=4 4217 B14R0.2297 C=CCCCCCCOCC(CC)OC 7a_100011934954_100011215473 [0,1,0,0,0,0|2,0,1]=4 4218 B14R0.2297 C=CCCCCCCOCC(OC)OC 34a_100011216393_100011215473 [0,1,0,0,0,0|1,0,2]=4 4219 B14R0.2297 C=CCCCCCCOCC(OC)OC 34a_200011216477_100000211822 [0,1,0,0,0,0|1,0,2]=4 4220 B14R0.2297 C=CCCCCCCOCC(OC)OC 7a_200011216477_100000751394 [0,1,0,0,0,0|1,0,2]=4 4221 B14R0.2297 C=CCCCCCCSCC(OC)OC 62a_100000751394_100011215473 [0,1,0,0,0,0|1,0,2]=4 4222 B14R0.2297 C=CCCCCCCSCC(OC)OC 62a_100011215473_100000751394 [0,1,0,0,0,0|1,0,2]=4 4223 B14R0.2297 C=CCCCCCOCCC(OC)OC 34a_100011216702_100000139399 [0,1,0,0,0,0|1,0,2]=4 4224 B14R0.2297 C=CCCCCCOCCC(OC)OC 7a_100011216702_100009813347 [0,1,0,0,0,0|1,0,2]=4 4225 B14R0.2297 C=CCCCCCSCCC(OC)OC 62a_100000139399_100000700193 [0,1,0,0,0,0|1,0,2]=4 4226 B14R0.2297 C=CCCCCCSCCC(OC)OC 62a_100000700193_100000139399 [0,1,0,0,0,0|1,0,2]=4 4227 B14R0.2297 C=CCCCCNCCCC(OC)OC 2230a_100000703577_100000069011 [0,1,0,0,0,0|1,0,2]=4 4228 B14R0.2297 C=CCCCCNCCCC(OC)OC 34a_100000703577_100000069011 [0,1,0,0,0,0|1,0,2]=4 4229 B14R0.2297 C=CCCCCOCCCC(OC)OC 34a_100000766645_100000069011 [0,1,0,0,0,0|1,0,2]=4 4230 B14R0.2297 C=CCCCCOCCCC(OC)OC 7a_100000766645_100000069011 [0,1,0,0,0,0|1,0,2]=4 4231 B14R0.2297 C=CCCCCSCCCC(OC)OC 62a_100000069011_100011215482 [0,1,0,0,0,0|1,0,2]=4 4232 B14R0.2297 C=CCCCCSCCCC(OC)OC 62a_100011215482_100000069011 [0,1,0,0,0,0|1,0,2]=4 4233 B14R0.2297 C=CCCCOCCCCN(CC)N=O 34a_200000035056_100000757094 [0,1,0,0,0,0|3,0,0]=4 4234 B14R1.9 C=CCCCCN1CCNC(=O)C1C 2230a_100000750721_100011215482 [0,0,0,1,0,0|3,0,0]=4 4235 B14R1.9 C=CCCCCN1CCNC(=O)C1C 269982a_100000750721_100011215482 [0,0,0,1,0,0|3,0,0]=4 4236 B14R1.9 C=CCCCCN1CCNC(=O)C1C 34a_100000750721_100011215482 [0,0,0,1,0,0|3,0,0]=4 4237 B14R1.9 C=CCCNCC1CCCC(=O)N1C 2230a_200010383782_100000754431 [0,0,0,1,0,0|2,0,0]=3 4238 B14R1.9 C=CCCNCC1CCCC(=O)N1C 34a_200010383782_100000754431 [0,0,0,1,0,0|2,0,0]=3 4239 B14R1.14 C=CCCCCCN1CC=C(CC1)C 2230a_100000693516_100000700193 [0,0,0,1,0,0|3,0,0]=4 4240 B14R1.14 C=CCCCCCN1CC=C(CC1)C 269982a_100000693516_100000700193 [0,0,0,1,0,0|3,0,0]=4 4241 B14R1.14 C=CCCCCCN1CC=C(CC1)C 34a_100000693516_100000700193 [0,0,0,1,0,0|3,0,0]=4 4242 B14R1.14 C=CCCCCCN1CCC(=C)CC1 2230a_100000752442_100000700193 [0,0,0,1,0,0|3,0,0]=4 4243 B14R1.14 C=CCCCCCN1CCC(=C)CC1 269982a_100000752442_100000700193 [0,0,0,1,0,0|3,0,0]=4 4244 B14R1.14 C=CCCCCCN1CCC(=C)CC1 34a_100000752442_100000700193 [0,0,0,1,0,0|3,0,0]=4 4245 B14R1.14 C=CCCCCCN1CCS(=O)CC1 2230a_100000752083_100000700193 [0,0,0,1,0,0|3,0,0]=4 4246 B14R1.14 C=CCCCCCN1CCS(=O)CC1 269982a_100000752083_100000700193 [0,0,0,1,0,0|3,0,0]=4 4247 B14R1.14 C=CCCCCNC1CCC(=C)CC1 270004a_100000703577_100010272673 [0,0,0,1,0,0|3,0,0]=4 4248 B14R1.14 C=CCCCCNC1CCC(=O)NC1 2230a_100000748762_100011215482 [0,0,0,1,0,0|2,0,0]=3 4249 B14R1.14 C=CCCCCNC1CCC(=O)NC1 34a_100000748762_100011215482 [0,0,0,1,0,0|2,0,0]=3 4250 B14R1.14 C=CCCCCOC1CCC(=O)CC1 34a_100000764474_100011215482 [0,0,0,1,0,0|2,0,0]=3 4251 B14R1.14 C=CCCCCOC1CCC(=O)CC1 7a_100000764474_100011215482 [0,0,0,1,0,0|2,0,0]=3 4252 B14R1.14 C=CCCCCOC1CCC(=O)NC1 34a_100000079199_100011215482 [0,0,0,1,0,0|2,0,0]=3 4253 B14R1.14 C=CCCCCOC1CNC(=O)NC1 34a_100000080929_100011215482 [0,0,0,1,0,0|3,0,0]=4 4254 B14R1.14 C=CCCCOCC1CCC(=C)CC1 34a_100000074039_100000757094 [0,0,0,1,0,0|3,0,0]=4 4255 B14R1.14 C=CCCCOCC1CCC(=O)CC1 34a_100000062911_100000757094 [0,0,0,1,0,0|2,0,0]=3 4256 B14R1.14 C=COCCOCC1CCC(=O)CC1 34a_100000062911_100000039644 [0,0,0,1,0,0|3,0,0]=4 4257 B14R1.14 O=CCCCCNC1CCC(=O)NC1 2230a_100000748762_100000139335 [0,0,0,1,0,0|3,0,0]=4 4258 B14R1.14 O=CCCCCOC1CCC(=O)CC1 7a_100000764474_100000139335 [0,0,0,1,0,0|3,0,0]=4 4259 B14R1.109 CCC1CCCN1CCCC(=O)OC 2230a_100000754278_100011218270 [0,0,0,1,0,0|1,0,2]=4 4260 B14R1.109 CCC1CCCN1CCCC(=O)OC 269982a_100000754278_100011218270 [0,0,0,1,0,0|1,0,2]=4 4261 B14R1.109 CCC1CCCN1CCCC(=O)OC 34a_100000754278_100000742333 [0,0,0,1,0,0|1,0,2]=4 4262 B14R1.109 COC(=O)CCCN1CCCC1C#N 2230a_100000701862_100011218270 [0,0,0,1,0,0|2,0,1]=4 4263 B14R1.109 COC(=O)CCCN1CCC[C@@H]1C#N 2230a_106645074975_100011218270 [0,0,0,1,0,0|2,0,1]=4 4264 B14R1.109 COC(=O)CCCN1CCC[C@@H]1C#N 269982a_106645074975_100011218270 [0,0,0,1,0,0|2,0,1]=4 4265 B14R1.109 COC(=O)CCCN1CCC[C@@H]1CO 2230a_100000745186_100011218270 [0,0,0,1,0,0|2,0,1]=4 4266 B14R1.109 COC(=O)CCCN1CCC[C@@H]1CO 269982a_100000745186_100011218270 [0,0,0,1,0,0|2,0,1]=4 4267 B14R1.109 COC(=O)CCCN1CCC[C@@H]1CO 34a_100000745186_100000742333 [0,0,0,1,0,0|2,0,1]=4 4268 B14R1.109 COC(=O)CCO[C@@H]1CCC[C@H]1C#N 34a_100011907464_100000742370 [0,0,0,1,0,0|2,0,1]=4 4269 B14R1.109 COC(=O)CCO[C@@H]1CCC[C@H]1C#N 7a_100011907464_100000204255 [0,0,0,1,0,0|2,0,1]=4 4270 B14R1.122 C=CCCCCCCN1CNC(=O)C1 2230a_200000708111_100011215473 [0,0,0,1,0,0|2,0,0]=3 4271 B14R1.122 C=CCCCCCNC1CNC(=O)C1 2230a_100000697751_100000700193 [0,0,0,1,0,0|2,0,0]=3 4272 B14R1.122 C=CCCCCCOC1CCC(=O)C1 34a_100012614533_100000700193 [0,0,0,1,0,0|2,0,0]=3 4273 B14R1.122 C=CCCCCCOC1CNC(=O)C1 34a_100000690082_100000700193 [0,0,0,1,0,0|2,0,0]=3 4274 B14R1.122 C=CCCCCCOC1COC(=O)O1 34a_100011216702_100000032252 [0,0,0,1,0,0|2,0,0]=3 4275 B14R1.122 C=CCCCCCSC1COC(=O)O1 62a_100000700193_100000032252 [0,0,0,1,0,0|2,0,0]=3 4276 B14R1.122 C=CCCCCNCC1=CC(=O)OC1 34a_100000703577_100000716558 [0,0,0,1,0,0|1,0,2]=4 4277 B14R1.122 C=CCCCCNCC1CNC(=O)C1 2230a_100016993742_100011215482 [0,0,0,1,0,0|2,0,0]=3 4278 B14R1.122 C=CCCCCNCC1CNC(=O)C1 34a_100016993742_100011215482 [0,0,0,1,0,0|2,0,0]=3 4279 B14R1.122 C=CCCCCNCC1CNC(=O)O1 2230a_100000703577_100000181169 [0,0,0,1,0,0|3,0,0]=4 4280 B14R1.122 C=CCCCCNCC1CNC(=O)O1 34a_100000703577_100000181169 [0,0,0,1,0,0|3,0,0]=4 4281 B14R1.122 C=CCCCCNCC1COC(=O)O1 34a_100000703577_100000073702 [0,0,0,1,0,0|2,0,0]=3 4282 B14R1.122 C=CCCCCNC[C@@H]1CCC(=O)N1 2230a_100000703577_100015189358 [0,0,0,1,0,0|3,0,0]=4 4283 B14R1.122 C=CCCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100011215482 [0,0,0,1,0,0|3,0,0]=4 4284 B14R1.122 C=CCCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100011215482 [0,0,0,1,0,0|3,0,0]=4 4285 B14R1.122 C=CCCCCNC[C@H]1COC(=O)N1 2230a_100000703577_100015307671 [0,0,0,1,0,0|2,0,0]=3 4286 B14R1.122 C=CCCCCNC[C@H]1COC(=O)N1 34a_100000703577_100015307671 [0,0,0,1,0,0|2,0,0]=3 4287 B14R1.122 C=CCCCCOCC1=CC(=O)OC1 34a_100000766645_100000716558 [0,0,0,1,0,0|1,0,2]=4 4288 B14R1.122 C=CCCCCOCC1CCC(=O)N1 34a_100000737831_100011215482 [0,0,0,1,0,0|3,0,0]=4 4289 B14R1.122 C=CCCCCOCC1CNC(=O)C1 34a_100016041077_100011215482 [0,0,0,1,0,0|2,0,0]=3 4290 B14R1.122 C=CCCCCOCC1CNC(=O)O1 34a_100000766645_100000181169 [0,0,0,1,0,0|3,0,0]=4 4291 B14R1.122 C=CCCCCOCC1CNC(=O)O1 34a_100011315639_100011215482 [0,0,0,1,0,0|3,0,0]=4 4292 B14R1.122 C=CCCCCOCC1CNC(=O)O1 7a_100000766645_100000181169 [0,0,0,1,0,0|3,0,0]=4 4293 B14R1.122 C=CCCCCOCC1COC(=O)O1 34a_100000766645_100000073702 [0,0,0,1,0,0|2,0,0]=3 4294 B14R1.122 C=CCCCCOC[C@@H]1CCC(=O)N1 7a_100000766645_100015189358 [0,0,0,1,0,0|3,0,0]=4 4295 B14R1.122 C=CCCCCOC[C@H]1COC(=O)N1 34a_100000766645_100015307671 [0,0,0,1,0,0|2,0,0]=3 4296 B14R1.122 C=CCCCCOC[C@H]1COC(=O)N1 7a_100000766645_100015307671 [0,0,0,1,0,0|2,0,0]=3 4297 B14R1.122 C=CCCCCSCC1=CC(=O)OC1 62a_100000716558_100011215482 [0,0,0,1,0,0|1,0,2]=4 4298 B14R1.122 C=CCCCCSCC1=CC(=O)OC1 62a_100011215482_100000716558 [0,0,0,1,0,0|1,0,2]=4 4299 B14R1.122 C=CCCCCSCC1CNC(=O)O1 62a_100000181169_100011215482 [0,0,0,1,0,0|3,0,0]=4 4300 B14R1.122 C=CCCCCSCC1CNC(=O)O1 62a_100011215482_100000181169 [0,0,0,1,0,0|3,0,0]=4 4301 B14R1.122 C=CCCCCSCC1COC(=O)O1 62a_100000073702_100011215482 [0,0,0,1,0,0|2,0,0]=3 4302 B14R1.122 C=CCCCCSCC1COC(=O)O1 62a_100011215482_100000073702 [0,0,0,1,0,0|2,0,0]=3 4303 B14R1.122 C=CCCCCSC[C@@H]1CCC(=O)N1 62a_100011215482_100015189358 [0,0,0,1,0,0|3,0,0]=4 4304 B14R1.122 C=CCCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100011215482 [0,0,0,1,0,0|3,0,0]=4 4305 B14R1.122 C=CCCCCSC[C@H]1COC(=O)N1 62a_100011215482_100015307671 [0,0,0,1,0,0|2,0,0]=3 4306 B14R1.122 C=CCCCCSC[C@H]1COC(=O)N1 62a_100015307671_100011215482 [0,0,0,1,0,0|2,0,0]=3 4307 B14R1.122 C=CCCCOCCC1COS(=O)O1 7a_100000758997_100009840081 [0,0,0,1,0,0|3,0,0]=4 4308 B14R1.122 C=CCCCSCCC1COS(=O)O1 62a_100011713584_100009840081 [0,0,0,1,0,0|3,0,0]=4 4309 B14R1.122 C=CCOCCOCC1COC(=O)O1 34a_100000037705_100000073702 [0,0,0,1,0,0|3,0,0]=4 4310 B14R1.122 C=CCOCCOC[C@H]1COC(=O)N1 34a_100000037705_100015307671 [0,0,0,1,0,0|3,0,0]=4 4311 B14R1.122 C=CCOCCOC[C@H]1COC(=O)N1 7a_100000037705_100015307671 [0,0,0,1,0,0|3,0,0]=4 4312 B14R1.122 C=COCCCCOC1COC(=O)O1 34a_100000031558_100000032252 [0,0,0,1,0,0|3,0,0]=4 4313 B14R1.122 C=COCCCNCC1COC(=O)O1 34a_100000210767_100000073702 [0,0,0,1,0,0|3,0,0]=4 4314 B14R1.122 C=COCCCNC[C@H]1COC(=O)N1 2230a_100000210767_100015307671 [0,0,0,1,0,0|3,0,0]=4 4315 B14R1.122 C=COCCCNC[C@H]1COC(=O)N1 34a_100000210767_100015307671 [0,0,0,1,0,0|3,0,0]=4 4316 B14R1.122 O=CCCCCCNC1CNC(=O)C1 2230a_100000697751_100000139337 [0,0,0,1,0,0|3,0,0]=4 4317 B14R1.122 O=CCCCCCSC1COC(=O)O1 62a_100000139337_100000032252 [0,0,0,1,0,0|3,0,0]=4 4318 B14R1.122 O=CCCCCNCC1CNC(=O)C1 2230a_100016993742_100000139335 [0,0,0,1,0,0|3,0,0]=4 4319 B14R1.122 O=CCCCCSCC1COC(=O)O1 62a_100000073702_100000139335 [0,0,0,1,0,0|3,0,0]=4 4320 B14R1.122 O=CCCCCSCC1COC(=O)O1 62a_100000139335_100000073702 [0,0,0,1,0,0|3,0,0]=4 4321 B14R1.122 O=CCCCCSC[C@H]1COC(=O)N1 62a_100000139335_100015307671 [0,0,0,1,0,0|3,0,0]=4 4322 B14R1.122 O=CCCCCSC[C@H]1COC(=O)N1 62a_100015307671_100000139335 [0,0,0,1,0,0|3,0,0]=4 4323 B14R1.228 C=CCCCCN1CCCC(C1)OC 2230a_100000695604_100011215482 [0,0,0,1,0,0|2,0,1]=4 4324 B14R1.228 C=CCCCCN1CCCC(C1)OC 269982a_100000695604_100011215482 [0,0,0,1,0,0|2,0,1]=4 4325 B14R1.228 C=CCCCCN1CCCC(C1)OC 34a_100000695604_100011215482 [0,0,0,1,0,0|2,0,1]=4 4326 B14R1.229 C=CCCCCCCOC1CCC1=O 34a_200011216477_100009892977 [0,0,0,1,0,0|2,0,0]=3 4327 B14R1.229 C=CCCCCCCOC1CCC1=O 7a_200011216477_100009892977 [0,0,0,1,0,0|2,0,0]=3 4328 B14R1.229 C=CCCCCCCSC1CCC1=O 62a_100009892977_100011215473 [0,0,0,1,0,0|2,0,0]=3 4329 B14R1.229 C=CCCCCCCSC1CCC1=O 62a_100011215473_100009892977 [0,0,0,1,0,0|2,0,0]=3 4330 B14R1.229 C=CCCCCNCCC1CCC1=O 2230a_100000703577_200016118888 [0,0,0,1,0,0|2,0,0]=3 4331 B14R1.229 C=CCCCCOCCC1CCC1=O 7a_100000766645_200016118888 [0,0,0,1,0,0|2,0,0]=3 4332 B14R1.229 C=CCCCCSCCC1CCC1=O 62a_100011215482_200016118888 [0,0,0,1,0,0|2,0,0]=3 4333 B14R1.229 C=CCCCCSCCC1CCC1=O 62a_200016118888_100011215482 [0,0,0,1,0,0|2,0,0]=3 4334 B14R1.229 C=CCOCCOCCC1CCC1=O 7a_100000037705_200016118888 [0,0,0,1,0,0|3,0,0]=4 4335 B14R1.229 C=COCCCNCCC1CCC1=O 2230a_100000210767_200016118888 [0,0,0,1,0,0|3,0,0]=4 4336 B14R1.229 O=CCCCCSCCC1CCC1=O 62a_100000139335_200016118888 [0,0,0,1,0,0|3,0,0]=4 4337 B14R1.229 O=CCCCCSCCC1CCC1=O 62a_200016118888_100000139335 [0,0,0,1,0,0|3,0,0]=4 4338 B14R1.259 COCC1CCN1CCCC(=O)OC 2230a_100015195929_100011218270 [0,0,0,1,0,0|2,0,1]=4 4339 B14R1.259 COCC1CCN1CCCC(=O)OC 269982a_100015195929_100011218270 [0,0,0,1,0,0|2,0,1]=4 4340 B14R1.259 COCC1CCN1CCCC(=O)OC 34a_100015195929_100000742333 [0,0,0,1,0,0|2,0,1]=4 4341 B14R1.272 COC[C@@H]1CCCN1CCC(=O)OC 2230a_100020646714_100000204255 [0,0,0,1,0,0|2,0,1]=4 4342 B14R1.272 COC[C@@H]1CCCN1CCC(=O)OC 269982a_100020646714_100000204255 [0,0,0,1,0,0|2,0,1]=4 4343 B14R1.272 COC[C@@H]1CCCN1CCC(=O)OC 34a_100020646714_100000742370 [0,0,0,1,0,0|2,0,1]=4 4344 B14R1.483 C=CCN1CCOCC1CC(=O)OC 2230a_100000731486_100000210623 [0,0,0,1,0,0|2,0,0]=3 4345 B14R1.483 C=CCN1CCOCC1CC(=O)OC 34a_100000731486_100015514636 [0,0,0,1,0,0|2,0,0]=3 4346 B14R1.483 CCCC1CCCCN1CC(=O)OC 2230a_100000701414_100000747449 [0,0,0,1,0,0|1,0,2]=4 4347 B14R1.483 CCCC1CCCCN1CC(=O)OC 269982a_100000701414_100000747449 [0,0,0,1,0,0|1,0,2]=4 4348 B14R1.483 CCCC1CCCCN1CC(=O)OC 34a_100000701414_100000747449 [0,0,0,1,0,0|1,0,2]=4 4349 B14R1.483 COC(=O)CC1COCCN1CC=O 2230a_100000731486_200015260668 [0,0,0,1,0,0|3,0,0]=4 4350 B14R1.483 COC(=O)CC1COCCN1CC=O 34a_100000731486_200009817547 [0,0,0,1,0,0|3,0,0]=4 4351 B14R1.483 COC(=O)CN1CCCCC1CC#N 2230a_100000133382_100000747449 [0,0,0,1,0,0|2,0,1]=4 4352 B14R1.483 COC(=O)CN1CCCCC1CC#N 34a_100000133382_100000747449 [0,0,0,1,0,0|2,0,1]=4 4353 B14R1.483 COC(=O)CN1CCCCC1CCO 2230a_100000211664_100000747449 [0,0,0,1,0,0|2,0,1]=4 4354 B14R1.483 COC(=O)CN1CCCCC1CCO 269982a_100000211664_100000747449 [0,0,0,1,0,0|2,0,1]=4 4355 B14R1.483 COC(=O)CN1CCCCC1CCO 34a_100000211664_100000747449 [0,0,0,1,0,0|2,0,1]=4 4356 B14R1.483 COCC1CCCCN1CC(=O)OC 2230a_100015184032_100000747449 [0,0,0,1,0,0|2,0,1]=4 4357 B14R1.483 COCC1CCCCN1CC(=O)OC 269982a_100015184032_100000747449 [0,0,0,1,0,0|2,0,1]=4 4358 B14R1.483 COCC1CCCCN1CC(=O)OC 34a_100015184032_100000747449 [0,0,0,1,0,0|2,0,1]=4 4359 B14R1.709 CCC(=O)CCN1CCCCCC1=O 1458a_200011207554_100000210202 [0,0,0,1,0,0|3,0,0]=4 4360 B14R1.709 CCC(=O)CSC1CCCCCC1=O 62a_100000243696_100000747405 [0,0,0,1,0,0|3,0,0]=4 4361 B14R1.709 CCC(=O)CSC1CCCCCC1=O 62a_100000747405_100000243696 [0,0,0,1,0,0|3,0,0]=4 4362 B14R1.709 CNC(=O)CCN1CCCCCC1=O 11a_106832991635_200011207554 [0,0,0,1,0,0|3,0,0]=4 4363 B14R1.709 CNC(=O)CCN1CCCCCC1=O 1626a_100102657272_200011207554 [0,0,0,1,0,0|3,0,0]=4 4364 B14R1.709 CNC(=O)CCN1CCCCCC1=O 240690a_100102657272_200011207554 [0,0,0,1,0,0|3,0,0]=4 4365 B14R1.709 CNC(=O)CCN1CCCCCC1=O 527a_100102657272_200011207554 [0,0,0,1,0,0|3,0,0]=4 4366 B14R1.709 CNC(=O)CSC1CCCCCC1=O 62a_100000183359_100000243696 [0,0,0,1,0,0|3,0,0]=4 4367 B14R1.709 CNC(=O)CSC1CCCCCC1=O 62a_100000243696_100000183359 [0,0,0,1,0,0|3,0,0]=4 4368 B14R1.709 COC(=O)CNC1CCCCNC1=O 2230a_100000698827_100000747449 [0,0,0,1,0,0|3,0,0]=4 4369 B14R1.709 COC(=O)CNC1CCCCNC1=O 34a_100000698827_100000747449 [0,0,0,1,0,0|3,0,0]=4 4370 B14R1.709 COC(=O)CSC1CCCCCC1=O 62a_100000243696_100000747449 [0,0,0,1,0,0|2,0,0]=3 4371 B14R1.709 COC(=O)CSC1CCCCCC1=O 62a_100000747449_100000243696 [0,0,0,1,0,0|2,0,0]=3 4372 B14R1.709 COC(=O)CSC1CCCCNC1=O 62a_100000735217_100000747449 [0,0,0,1,0,0|3,0,0]=4 4373 B14R1.709 COC(=O)CSC1CCCCNC1=O 62a_100000747449_100000735217 [0,0,0,1,0,0|3,0,0]=4 4374 B14R1.716 CCC(=O)CCCCC1CCCCC1 1458a_200011215547_100000210202 [0,0,0,1,0,0|1,0,2]=4 4375 B14R1.716 CCC(=O)NCCOC1C=CCCC1 7a_200000158885_100000751183 [0,0,0,1,0,0|3,0,0]=4 4376 B14R1.716 CCC(=O)OCCOC1C=CCCC1 7a_200000031056_100000751183 [0,0,0,1,0,0|3,0,0]=4 4377 B14R1.716 CNC(=O)CCCCC1CCCCC1 11a_106832991635_200011215547 [0,0,0,1,0,0|1,0,2]=4 4378 B14R1.716 CNC(=O)CCCCC1CCCCC1 1626a_100102657272_200011215547 [0,0,0,1,0,0|1,0,2]=4 4379 B14R1.716 CNC(=O)CCCCC1CCCCC1 240690a_100102657272_200011215547 [0,0,0,1,0,0|1,0,2]=4 4380 B14R1.716 CNC(=O)CCCCC1CCCCC1 527a_100102657272_200011215547 [0,0,0,1,0,0|1,0,2]=4 4381 B14R1.716 CNC(=O)CCCNC1C=CCCC1 2230a_100000740002_100000751183 [0,0,0,1,0,0|2,0,0]=3 4382 B14R1.716 CNC(=O)CCCOC1C=CCCC1 34a_100011215024_100000741757 [0,0,0,1,0,0|2,0,0]=3 4383 B14R1.716 CNC(=O)CCCSC1C=CCCC1 62a_100000741757_100000751183 [0,0,0,1,0,0|2,0,0]=3 4384 B14R1.716 CNC(=O)CCCSC1C=CCCC1 62a_100000751183_100000741757 [0,0,0,1,0,0|2,0,0]=3 4385 B14R1.716 CNC(=O)OCCOC1C=CCCC1 34a_100011215024_200011997002 [0,0,0,1,0,0|3,0,0]=4 4386 B14R1.716 CNC(=O)OCCSC1C=CCCC1 62a_100000751183_200011997002 [0,0,0,1,0,0|3,0,0]=4 4387 B14R1.716 CNC(=O)OCCSC1C=CCCC1 62a_200011997002_100000751183 [0,0,0,1,0,0|3,0,0]=4 4388 B14R1.716 COC(=O)/C=C/COC1C=CCCC1 34a_100011215024_100000742655 [0,0,0,1,0,0|1,0,2]=4 4389 B14R1.716 COC(=O)/C=C/CSC1C=CCCC1 62a_100000742655_100000751183 [0,0,0,1,0,0|1,0,2]=4 4390 B14R1.716 COC(=O)/C=C/CSC1C=CCCC1 62a_100000751183_100000742655 [0,0,0,1,0,0|1,0,2]=4 4391 B14R1.716 COC(=O)CCCCN1CC=CCC1 2230a_100000698166_100000204269 [0,0,0,1,0,0|1,0,2]=4 4392 B14R1.716 COC(=O)CCCCN1CC=CCC1 269982a_100000698166_100000204269 [0,0,0,1,0,0|1,0,2]=4 4393 B14R1.716 COC(=O)CCCCN1CC=CCC1 34a_100000698166_100000204269 [0,0,0,1,0,0|1,0,2]=4 4394 B14R1.716 COC(=O)CCCCN1CCCOC1 2230a_100000131196_100000204269 [0,0,0,1,0,0|2,0,1]=4 4395 B14R1.716 COC(=O)CCCCN1CCCOC1 269982a_100000131196_100000204269 [0,0,0,1,0,0|2,0,1]=4 4396 B14R1.716 COC(=O)CCCCN1CCCOC1 34a_100000131196_100000204269 [0,0,0,1,0,0|2,0,1]=4 4397 B14R1.716 COC(=O)CCCNC1CCCCC1 2230a_100000182618_100011218270 [0,0,0,1,0,0|1,0,2]=4 4398 B14R1.716 COC(=O)CCCNC1CCCCC1 34a_100000182618_100000742333 [0,0,0,1,0,0|1,0,2]=4 4399 B14R1.716 COC(=O)CCCNC1CCCOC1 2230a_100000719290_100011218270 [0,0,0,1,0,0|2,0,1]=4 4400 B14R1.716 COC(=O)CCCNC1CCCOC1 34a_100000719290_100000742333 [0,0,0,1,0,0|2,0,1]=4 4401 B14R1.716 COC(=O)CCCOC1C=CCCC1 34a_100011215024_100000742333 [0,0,0,1,0,0|1,0,0]=2 4402 B14R1.716 COC(=O)CCCOC1CC=CCC1 34a_100000073881_100000742333 [0,0,0,1,0,0|1,0,2]=4 4403 B14R1.716 COC(=O)CCCOC1CCCCC1 34a_100000210231_100000742333 [0,0,0,1,0,0|1,0,2]=4 4404 B14R1.716 COC(=O)CCCOC1CCCCC1 7a_100000210231_100011218270 [0,0,0,1,0,0|1,0,2]=4 4405 B14R1.716 COC(=O)CCCOC1CCCCO1 34a_100000033831_100000742333 [0,0,0,1,0,0|2,0,1]=4 4406 B14R1.716 COC(=O)CCCOC1CCCOC1 34a_100000754041_100000742333 [0,0,0,1,0,0|2,0,1]=4 4407 B14R1.716 COC(=O)CCCOC1CCCSC1 7a_100015962668_100011218270 [0,0,0,1,0,0|2,0,1]=4 4408 B14R1.716 COC(=O)CCCSC1C=CCCC1 62a_100000751183_100011218270 [0,0,0,1,0,0|1,0,0]=2 4409 B14R1.716 COC(=O)CCCSC1C=CCCC1 62a_100011218270_100000751183 [0,0,0,1,0,0|1,0,0]=2 4410 B14R1.716 COC(=O)CCCSC1CCCCC1 62a_100000210327_100011218270 [0,0,0,1,0,0|1,0,2]=4 4411 B14R1.716 COC(=O)CCCSC1CCCCC1 62a_100011218270_100000210327 [0,0,0,1,0,0|1,0,2]=4 4412 B14R1.716 COC(=O)CCCSC1CCCOC1 62a_100011218270_100000693364 [0,0,0,1,0,0|2,0,1]=4 4413 B14R1.716 COC(=O)CCNCC1CCCCC1 2230a_100000210473_100000204255 [0,0,0,1,0,0|1,0,2]=4 4414 B14R1.716 COC(=O)CCNCC1CCCCC1 34a_100000210473_100000742370 [0,0,0,1,0,0|1,0,2]=4 4415 B14R1.716 COC(=O)CCNCC1CCCCO1 2230a_100000174945_100000204255 [0,0,0,1,0,0|2,0,1]=4 4416 B14R1.716 COC(=O)CCNCC1CCCCO1 34a_100000174945_100000742370 [0,0,0,1,0,0|2,0,1]=4 4417 B14R1.716 COC(=O)CCNCC1CCCOC1 2230a_100000720124_100000204255 [0,0,0,1,0,0|2,0,1]=4 4418 B14R1.716 COC(=O)CCNCC1CCCOC1 34a_100000720124_100000742370 [0,0,0,1,0,0|2,0,1]=4 4419 B14R1.716 COC(=O)CCOCC1CC=CCC1 34a_100000210713_100000742370 [0,0,0,1,0,0|1,0,2]=4 4420 B14R1.716 COC(=O)CCOCC1CCC=CO1 34a_100011217868_100000742370 [0,0,0,1,0,0|2,0,1]=4 4421 B14R1.716 COC(=O)CCOCC1CCCCC1 34a_100000212181_100000742370 [0,0,0,1,0,0|1,0,2]=4 4422 B14R1.716 COC(=O)CCOCC1CCCCC1 7a_100000212181_100000204255 [0,0,0,1,0,0|1,0,2]=4 4423 B14R1.716 COC(=O)CCOCC1CCCCN1 34a_100000210821_100000742370 [0,0,0,1,0,0|2,0,1]=4 4424 B14R1.716 COC(=O)CCOCC1CCCCO1 34a_100000211370_100000742370 [0,0,0,1,0,0|2,0,1]=4 4425 B14R1.716 COC(=O)CCOCC1CCCCO1 7a_100000211370_100000204255 [0,0,0,1,0,0|2,0,1]=4 4426 B14R1.716 COC(=O)CCOCC1CCCNC1 34a_100000211344_100000742370 [0,0,0,1,0,0|2,0,1]=4 4427 B14R1.716 COC(=O)CCOCC1CCCOC1 34a_100000741520_100000742370 [0,0,0,1,0,0|2,0,1]=4 4428 B14R1.716 COC(=O)CCSCC1CCCCC1 62a_100000204255_100000211423 [0,0,0,1,0,0|1,0,2]=4 4429 B14R1.716 COC(=O)CCSCC1CCCCC1 62a_100000211423_100000204255 [0,0,0,1,0,0|1,0,2]=4 4430 B14R1.716 COC(=O)CCSCC1CCCCO1 62a_100000204255_100000211543 [0,0,0,1,0,0|2,0,1]=4 4431 B14R1.716 COC(=O)CCSCC1CCCCO1 62a_100000211543_100000204255 [0,0,0,1,0,0|2,0,1]=4 4432 B14R1.716 COC(=O)CCSCC1CCCOC1 62a_100000204255_100000741521 [0,0,0,1,0,0|2,0,1]=4 4433 B14R1.716 COC(=O)CCSCC1CCCOC1 62a_100000741521_100000204255 [0,0,0,1,0,0|2,0,1]=4 4434 B14R1.716 COC(=O)CNCCC1=CCCCC1 2230a_100000212019_100000747449 [0,0,0,1,0,0|1,0,2]=4 4435 B14R1.716 COC(=O)CNCCC1=CCCCC1 34a_100000212019_100000747449 [0,0,0,1,0,0|1,0,2]=4 4436 B14R1.716 COC(=O)CNCCC1CCCCC1 2230a_100000738074_100000747449 [0,0,0,1,0,0|1,0,2]=4 4437 B14R1.716 COC(=O)CNCCC1CCCCC1 34a_100000738074_100000747449 [0,0,0,1,0,0|1,0,2]=4 4438 B14R1.716 COC(=O)CNCCC1CCCCO1 2230a_100015183643_100000747449 [0,0,0,1,0,0|2,0,1]=4 4439 B14R1.716 COC(=O)CNCCC1CCCCO1 34a_100015183643_100000747449 [0,0,0,1,0,0|2,0,1]=4 4440 B14R1.716 COC(=O)COCCC1CCCCC1 34a_100011217863_100000747449 [0,0,0,1,0,0|1,0,2]=4 4441 B14R1.716 COC(=O)COCCC1CCCCC1 7a_100011217863_100000747449 [0,0,0,1,0,0|1,0,2]=4 4442 B14R1.716 COC(=O)COCCC1CCCCN1 34a_100000211664_100000747449 [0,0,0,1,0,0|2,0,1]=4 4443 B14R1.716 COC(=O)COCCC1CCCNC1 34a_100000752241_100000747449 [0,0,0,1,0,0|2,0,1]=4 4444 B14R1.716 COC(=O)CSCCC1CCCCC1 62a_100000747449_100012355289 [0,0,0,1,0,0|1,0,2]=4 4445 B14R1.716 COC(=O)CSCCC1CCCCC1 62a_100012355289_100000747449 [0,0,0,1,0,0|1,0,2]=4 4446 B14R1.730 COC(=O)CCCCCN1CC=CC1 269982a_100015195280_100009816466 [0,0,0,1,0,0|1,0,2]=4 4447 B14R1.730 COC(=O)CCCCCN1CCCC1 2230a_100000188435_100009816466 [0,0,0,1,0,0|1,0,2]=4 4448 B14R1.730 COC(=O)CCCCCN1CCCC1 269982a_100000188435_100009816466 [0,0,0,1,0,0|1,0,2]=4 4449 B14R1.730 COC(=O)CCCCCN1CCSC1 2230a_100011215254_100009816466 [0,0,0,1,0,0|2,0,1]=4 4450 B14R1.730 COC(=O)CCCCCN1CCSC1 269982a_100011215254_100009816466 [0,0,0,1,0,0|2,0,1]=4 4451 B14R1.730 COC(=O)CCCCNC1CC=CC1 2230a_100015188752_100000204269 [0,0,0,1,0,0|1,0,2]=4 4452 B14R1.730 COC(=O)CCCCNC1CCCC1 2230a_100000211070_100000204269 [0,0,0,1,0,0|1,0,2]=4 4453 B14R1.730 COC(=O)CCCCNC1CCCC1 34a_100000211070_100000204269 [0,0,0,1,0,0|1,0,2]=4 4454 B14R1.730 COC(=O)CCCCN[C@@H]1CCOC1 2230a_200015188469_100000204269 [0,0,0,1,0,0|2,0,1]=4 4455 B14R1.730 COC(=O)CCCCN[C@H]1CCOC1 2230a_100015188467_100000204269 [0,0,0,1,0,0|2,0,1]=4 4456 B14R1.730 COC(=O)CCCCN[C@H]1CCOC1 34a_100015188467_100000204269 [0,0,0,1,0,0|2,0,1]=4 4457 B14R1.730 COC(=O)CCCCOC1CCCC1 34a_100000059025_100000179811 [0,0,0,1,0,0|1,0,2]=4 4458 B14R1.730 COC(=O)CCCCOC1CCCC1 34a_100000210269_100000204269 [0,0,0,1,0,0|1,0,2]=4 4459 B14R1.730 COC(=O)CCCCOC1CCCC1 7a_100000059025_100000179811 [0,0,0,1,0,0|1,0,2]=4 4460 B14R1.730 COC(=O)CCCCOC1CCCC1 7a_100000210269_100000204269 [0,0,0,1,0,0|1,0,2]=4 4461 B14R1.730 COC(=O)CCCCOC1CCCO1 34a_100000085407_100000204269 [0,0,0,1,0,0|2,0,1]=4 4462 B14R1.730 COC(=O)CCCCOC1CCOC1 34a_100000059025_100000690089 [0,0,0,1,0,0|2,0,1]=4 4463 B14R1.730 COC(=O)CCCCOC1CCOC1 7a_100000059025_100000731011 [0,0,0,1,0,0|2,0,1]=4 4464 B14R1.730 COC(=O)CCCCOC1CCSC1 7a_100011232664_100000204269 [0,0,0,1,0,0|2,0,1]=4 4465 B14R1.730 COC(=O)CCCCO[C@H]1CCOC1 34a_100000717292_100000204269 [0,0,0,1,0,0|2,0,1]=4 4466 B14R1.730 COC(=O)CCCCSC1CCCC1 62a_100000204269_100000179811 [0,0,0,1,0,0|1,0,2]=4 4467 B14R1.730 COC(=O)CCCCSC1CCCC1 62a_100011217020_100000204269 [0,0,0,1,0,0|1,0,2]=4 4468 B14R1.730 COC(=O)CCCCSC1CCOC1 62a_100000204269_100000690089 [0,0,0,1,0,0|2,0,1]=4 4469 B14R1.730 COC(=O)CCCNCC1CCCC1 2230a_100000737975_100011218270 [0,0,0,1,0,0|1,0,2]=4 4470 B14R1.730 COC(=O)CCCNCC1CCCC1 34a_100000737975_100000742333 [0,0,0,1,0,0|1,0,2]=4 4471 B14R1.730 COC(=O)CCCNCC1CCOC1 2230a_100000737293_100011218270 [0,0,0,1,0,0|2,0,1]=4 4472 B14R1.730 COC(=O)CCCNCC1CCOC1 34a_100000737293_100000742333 [0,0,0,1,0,0|2,0,1]=4 4473 B14R1.730 COC(=O)CCCNC[C@@H]1CCCO1 2230a_100020590478_100011218270 [0,0,0,1,0,0|2,0,1]=4 4474 B14R1.730 COC(=O)CCCNC[C@@H]1CCCO1 34a_100020590478_100000742333 [0,0,0,1,0,0|2,0,1]=4 4475 B14R1.730 COC(=O)CCCOCC1CC=CC1 34a_100000688395_100000742333 [0,0,0,1,0,0|1,0,2]=4 4476 B14R1.730 COC(=O)CCCOCC1CCCC1 34a_100000742336_100000742333 [0,0,0,1,0,0|1,0,2]=4 4477 B14R1.730 COC(=O)CCCOCC1CCCC1 7a_100000742336_100011218270 [0,0,0,1,0,0|1,0,2]=4 4478 B14R1.730 COC(=O)CCCOCC1CCCO1 34a_100000210270_100000742333 [0,0,0,1,0,0|2,0,1]=4 4479 B14R1.730 COC(=O)CCCOCC1CCCO1 7a_100000210270_100011218270 [0,0,0,1,0,0|2,0,1]=4 4480 B14R1.730 COC(=O)CCCOCC1CCNC1 34a_100000748654_100000742333 [0,0,0,1,0,0|2,0,1]=4 4481 B14R1.730 COC(=O)CCCOCC1CCOC1 34a_100000740260_100000742333 [0,0,0,1,0,0|2,0,1]=4 4482 B14R1.730 COC(=O)CCCOC[C@H]1CCCN1 34a_100000745186_100000742333 [0,0,0,1,0,0|2,0,1]=4 4483 B14R1.730 COC(=O)CCCSCC1CCCC1 62a_100000740388_100011218270 [0,0,0,1,0,0|1,0,2]=4 4484 B14R1.730 COC(=O)CCCSCC1CCCC1 62a_100011218270_100000740388 [0,0,0,1,0,0|1,0,2]=4 4485 B14R1.730 COC(=O)CCCSCC1CCCO1 62a_100000203698_100011218270 [0,0,0,1,0,0|2,0,1]=4 4486 B14R1.730 COC(=O)CCCSCC1CCCO1 62a_100011218270_100000203698 [0,0,0,1,0,0|2,0,1]=4 4487 B14R1.730 COC(=O)CCCSCC1CCOC1 62a_100000702531_100011218270 [0,0,0,1,0,0|2,0,1]=4 4488 B14R1.730 COC(=O)CCCSCC1CCOC1 62a_100011218270_100000702531 [0,0,0,1,0,0|2,0,1]=4 4489 B14R1.730 COC(=O)CCNCCC1CCCC1 2230a_100000739158_100000204255 [0,0,0,1,0,0|1,0,2]=4 4490 B14R1.730 COC(=O)CCNCCC1CCCC1 34a_100000739158_100000742370 [0,0,0,1,0,0|1,0,2]=4 4491 B14R1.730 COC(=O)CCOCCC1CCCC1 34a_100000749090_100000742370 [0,0,0,1,0,0|1,0,2]=4 4492 B14R1.730 COC(=O)CCOCCC1CCCC1 7a_100000749090_100000204255 [0,0,0,1,0,0|1,0,2]=4 4493 B14R1.730 COC(=O)CCOCCC1CCNC1 34a_100016987287_100000742370 [0,0,0,1,0,0|2,0,1]=4 4494 B14R1.730 COC(=O)CCOCCC1CCOC1 34a_100011879284_100000742370 [0,0,0,1,0,0|2,0,1]=4 4495 B14R1.730 COC(=O)CCSCCC1CCCC1 62a_100000204255_100000760354 [0,0,0,1,0,0|1,0,2]=4 4496 B14R1.730 COC(=O)CCSCCC1CCCC1 62a_100000760354_100000204255 [0,0,0,1,0,0|1,0,2]=4 4497 B14R1.730 COC(=O)CNCCCC1CCCC1 2230a_100000736752_100000747449 [0,0,0,1,0,0|1,0,2]=4 4498 B14R1.730 COC(=O)CNCCCC1CCCC1 34a_100000736752_100000747449 [0,0,0,1,0,0|1,0,2]=4 4499 B14R1.730 COC(=O)COCCCC1CCCC1 34a_100011215328_100000747449 [0,0,0,1,0,0|1,0,2]=4 4500 B14R1.730 COC(=O)COCCCC1CCCC1 7a_100011215328_100000747449 [0,0,0,1,0,0|1,0,2]=4 4501 B14R1.730 COC(=O)CSCCCC1CCCC1 62a_100000747449_100011713738 [0,0,0,1,0,0|1,0,2]=4 4502 B14R1.730 COC(=O)CSCCCC1CCCC1 62a_100011713738_100000747449 [0,0,0,1,0,0|1,0,2]=4 4503 B14R1.789 C#CCCN1CCCCC1C(=O)OC 2230a_100000734855_100000688953 [0,0,0,1,0,0|1,0,2]=4 4504 B14R1.789 C#CCCN1CCCCC1C(=O)OC 269982a_100000734855_100000730999 [0,0,0,1,0,0|1,0,2]=4 4505 B14R1.789 C#CCCN1CCCCC1C(=O)OC 34a_100000734855_100000688953 [0,0,0,1,0,0|1,0,2]=4 4506 B14R1.789 C#CCO[C@H]1CCCC[C@H]1C(=O)OC 34a_100015709673_100000184674 [0,0,0,1,0,0|1,0,2]=4 4507 B14R1.789 C#CCO[C@H]1CCCC[C@H]1C(=O)OC 7a_100015709673_100000038162 [0,0,0,1,0,0|1,0,2]=4 4508 B14R1.789 C/C=C/CN1CCCCC1C(=O)OC 269982a_100000734855_100102629194 [0,0,0,1,0,0|1,0,2]=4 4509 B14R1.789 C/C=C/CN1CCCCC1C(=O)OC 34a_100000734855_100102629194 [0,0,0,1,0,0|1,0,2]=4 4510 B14R1.789 C=CCCN1CCCCC1C(=O)NC 2230a_100011209383_100000754431 [0,0,0,1,0,0|2,0,0]=3 4511 B14R1.789 C=CCCN1CCCCC1C(=O)NC 269982a_100011209383_100000754431 [0,0,0,1,0,0|2,0,0]=3 4512 B14R1.789 C=CCCN1CCCCC1C(=O)NC 34a_100011209383_100000754431 [0,0,0,1,0,0|2,0,0]=3 4513 B14R1.789 C=CCCN1CCCCC1C(=O)OC 2230a_100000734855_100000754431 [0,0,0,1,0,0|1,0,0]=2 4514 B14R1.789 C=CCCN1CCCCC1C(=O)OC 269982a_100000734855_100000754431 [0,0,0,1,0,0|1,0,0]=2 4515 B14R1.789 C=CCCN1CCCCC1C(=O)OC 34a_100000734855_100000754431 [0,0,0,1,0,0|1,0,0]=2 4516 B14R1.789 C=CCCN1CCOCC1C(=O)OC 2230a_100000765174_100000754431 [0,0,0,1,0,0|2,0,0]=3 4517 B14R1.789 C=CCCN1CCOCC1C(=O)OC 34a_100000765174_100000754431 [0,0,0,1,0,0|2,0,0]=3 4518 B14R1.789 C=CCOC1CCNCC1C(=O)OC 34a_200103168510_100015514636 [0,0,0,1,0,0|2,0,0]=3 4519 B14R1.789 C=CCO[C@H]1CCCC[C@H]1C(=O)OC 34a_100015709673_100015514636 [0,0,0,1,0,0|1,0,0]=2 4520 B14R1.789 C=CCO[C@H]1CCCC[C@H]1C(=O)OC 7a_100015709673_100015514636 [0,0,0,1,0,0|1,0,0]=2 4521 B14R1.789 CC=CCN1CCCCC1C(=O)OC 2230a_100000734855_100000070051 [0,0,0,1,0,0|1,0,2]=4 4522 B14R1.789 CC=CCN1CCCCC1C(=O)OC 34a_100000734855_100000070051 [0,0,0,1,0,0|1,0,2]=4 4523 B14R1.789 CCCCN1CCCCC1C(=O)OC 2230a_100000734855_100000210211 [0,0,0,1,0,0|1,0,2]=4 4524 B14R1.789 CCCCN1CCCCC1C(=O)OC 269982a_100000734855_100000210211 [0,0,0,1,0,0|1,0,2]=4 4525 B14R1.789 CCCCN1CCCCC1C(=O)OC 34a_100000734855_100000210210 [0,0,0,1,0,0|1,0,2]=4 4526 B14R1.789 CCCO[C@H]1CCCC[C@H]1C(=O)OC 34a_100015709673_100000210303 [0,0,0,1,0,0|1,0,2]=4 4527 B14R1.789 CCCO[C@H]1CCCC[C@H]1C(=O)OC 7a_100015709673_100000210303 [0,0,0,1,0,0|1,0,2]=4 4528 B14R1.789 COC(=O)C1CCCCN1CCC#N 2230a_100000734855_100011215226 [0,0,0,1,0,0|2,0,1]=4 4529 B14R1.789 COC(=O)C1CCCCN1CCC#N 269982a_100000734855_100011215226 [0,0,0,1,0,0|2,0,1]=4 4530 B14R1.789 COC(=O)C1CCCCN1CCCF 2230a_100000734855_100011934791 [0,0,0,1,0,0|2,0,1]=4 4531 B14R1.789 COC(=O)C1CCCCN1CCCF 269982a_100000734855_100011934791 [0,0,0,1,0,0|2,0,1]=4 4532 B14R1.789 COC(=O)C1CCCCN1CCCF 34a_100000734855_100011934791 [0,0,0,1,0,0|2,0,1]=4 4533 B14R1.789 COC(=O)C1CCCCN1CCCO 2230a_100000734855_100000230001 [0,0,0,1,0,0|2,0,1]=4 4534 B14R1.789 COC(=O)C1CCCCN1CCCO 269982a_100000734855_100011215043 [0,0,0,1,0,0|2,0,1]=4 4535 B14R1.789 COC(=O)C1CCCCN1CCCO 34a_100000734855_100000230001 [0,0,0,1,0,0|2,0,1]=4 4536 B14R1.789 COC(=O)C1CCCCN1CCSC 2230a_100000734855_100000751147 [0,0,0,1,0,0|2,0,1]=4 4537 B14R1.789 COC(=O)C1CCCCN1CCSC 269982a_100000734855_100000212216 [0,0,0,1,0,0|2,0,1]=4 4538 B14R1.789 COC(=O)C1CCCCN1CCSC 34a_100000734855_100000212216 [0,0,0,1,0,0|2,0,1]=4 4539 B14R1.789 COC(=O)C1CNCCC1OCC=O 34a_200103168510_200009817547 [0,0,0,1,0,0|3,0,0]=4 4540 B14R1.789 COC(=O)[C@@H]1CCCC[C@@H]1OCC#N 7a_100015709673_100011215382 [0,0,0,1,0,0|2,0,1]=4 4541 B14R1.789 COC(=O)[C@@H]1CCCC[C@@H]1OCC=O 34a_100015709673_200009817547 [0,0,0,1,0,0|2,0,0]=3 4542 B14R1.789 COC(=O)[C@@H]1CCCC[C@@H]1OCC=O 7a_100015709673_200015260668 [0,0,0,1,0,0|2,0,0]=3 4543 B14R1.789 COC(=O)[C@@H]1CCCC[C@@H]1OCCF 34a_100015709673_100011217306 [0,0,0,1,0,0|2,0,1]=4 4544 B14R1.789 COC(=O)[C@@H]1CCCC[C@@H]1OCCF 7a_100015709673_100011217306 [0,0,0,1,0,0|2,0,1]=4 4545 B14R1.789 COC(=O)[C@@H]1CCCC[C@@H]1OCCO 34a_100015709673_100000211926 [0,0,0,1,0,0|2,0,1]=4 4546 B14R1.789 COC(=O)[C@@H]1CCCC[C@@H]1OCCO 7a_100015709673_100000211926 [0,0,0,1,0,0|2,0,1]=4 4547 B14R1.789 COC(=O)[C@@H]1CCCC[C@@H]1OCSC 34a_100015709673_100011218213 [0,0,0,1,0,0|2,0,1]=4 4548 B14R1.789 COCCN1CCCCC1C(=O)OC 2230a_100000734855_100011201679 [0,0,0,1,0,0|2,0,1]=4 4549 B14R1.789 COCCN1CCCCC1C(=O)OC 269982a_100000734855_100000233755 [0,0,0,1,0,0|2,0,1]=4 4550 B14R1.789 COCCN1CCCCC1C(=O)OC 34a_100000734855_100011201679 [0,0,0,1,0,0|2,0,1]=4 4551 B14R1.800 C#CCCN1CCC[C@@H]1CC(=O)OC 2230a_100025726698_100000688953 [0,0,0,1,0,0|1,0,2]=4 4552 B14R1.800 C#CCCN1CCC[C@@H]1CC(=O)OC 269982a_100025726698_100000730999 [0,0,0,1,0,0|1,0,2]=4 4553 B14R1.800 C#CCCN1CCC[C@@H]1CC(=O)OC 34a_100025726698_100000688953 [0,0,0,1,0,0|1,0,2]=4 4554 B14R1.800 C/C=C/CN1CCC[C@@H]1CC(=O)OC 269982a_100025726698_100102629194 [0,0,0,1,0,0|1,0,2]=4 4555 B14R1.800 C/C=C/CN1CCC[C@@H]1CC(=O)OC 34a_100025726698_100102629194 [0,0,0,1,0,0|1,0,2]=4 4556 B14R1.800 C=CCCN1CCC[C@@H]1CC(=O)OC 2230a_100025726698_100000754431 [0,0,0,1,0,0|1,0,0]=2 4557 B14R1.800 C=CCCN1CCC[C@@H]1CC(=O)OC 269982a_100025726698_100000754431 [0,0,0,1,0,0|1,0,0]=2 4558 B14R1.800 C=CCCN1CCC[C@@H]1CC(=O)OC 34a_100025726698_100000754431 [0,0,0,1,0,0|1,0,0]=2 4559 B14R1.800 CC=CCN1CCC[C@@H]1CC(=O)OC 2230a_100025726698_100000070051 [0,0,0,1,0,0|1,0,2]=4 4560 B14R1.800 CC=CCN1CCC[C@@H]1CC(=O)OC 34a_100025726698_100000070051 [0,0,0,1,0,0|1,0,2]=4 4561 B14R1.800 CCCCN1CCC[C@@H]1CC(=O)OC 2230a_100025726698_100000210211 [0,0,0,1,0,0|1,0,2]=4 4562 B14R1.800 CCCCN1CCC[C@@H]1CC(=O)OC 269982a_100025726698_100000210211 [0,0,0,1,0,0|1,0,2]=4 4563 B14R1.800 CCCCN1CCC[C@@H]1CC(=O)OC 34a_100025726698_100000210210 [0,0,0,1,0,0|1,0,2]=4 4564 B14R1.800 COC(=O)C[C@H]1CCCN1CCC#N 2230a_100025726698_100011215226 [0,0,0,1,0,0|2,0,1]=4 4565 B14R1.800 COC(=O)C[C@H]1CCCN1CCC#N 269982a_100025726698_100011215226 [0,0,0,1,0,0|2,0,1]=4 4566 B14R1.800 COC(=O)C[C@H]1CCCN1CCCF 2230a_100025726698_100011934791 [0,0,0,1,0,0|2,0,1]=4 4567 B14R1.800 COC(=O)C[C@H]1CCCN1CCCF 269982a_100025726698_100011934791 [0,0,0,1,0,0|2,0,1]=4 4568 B14R1.800 COC(=O)C[C@H]1CCCN1CCCF 34a_100025726698_100011934791 [0,0,0,1,0,0|2,0,1]=4 4569 B14R1.800 COC(=O)C[C@H]1CCCN1CCCO 2230a_100025726698_100000230001 [0,0,0,1,0,0|2,0,1]=4 4570 B14R1.800 COC(=O)C[C@H]1CCCN1CCCO 269982a_100025726698_100011215043 [0,0,0,1,0,0|2,0,1]=4 4571 B14R1.800 COC(=O)C[C@H]1CCCN1CCCO 34a_100025726698_100000230001 [0,0,0,1,0,0|2,0,1]=4 4572 B14R1.800 COC(=O)C[C@H]1CCCN1CCSC 2230a_100025726698_100000751147 [0,0,0,1,0,0|2,0,1]=4 4573 B14R1.800 COC(=O)C[C@H]1CCCN1CCSC 269982a_100025726698_100000212216 [0,0,0,1,0,0|2,0,1]=4 4574 B14R1.800 COC(=O)C[C@H]1CCCN1CCSC 34a_100025726698_100000212216 [0,0,0,1,0,0|2,0,1]=4 4575 B14R1.800 COCCN1CCC[C@@H]1CC(=O)OC 2230a_100025726698_100011201679 [0,0,0,1,0,0|2,0,1]=4 4576 B14R1.800 COCCN1CCC[C@@H]1CC(=O)OC 269982a_100025726698_100000233755 [0,0,0,1,0,0|2,0,1]=4 4577 B14R1.800 COCCN1CCC[C@@H]1CC(=O)OC 34a_100025726698_100011201679 [0,0,0,1,0,0|2,0,1]=4 4578 B14R1.819 CNC(=O)CCCNC1CCCC1=O 2230a_100000740002_100000211823 [0,0,0,1,0,0|3,0,0]=4 4579 B14R1.819 CNC(=O)CCCNC1CCCC1=O 34a_100000740002_100000709159 [0,0,0,1,0,0|3,0,0]=4 4580 B14R1.819 CNC(=O)CCCOC1CCCC1=O 34a_200000719330_100000741757 [0,0,0,1,0,0|3,0,0]=4 4581 B14R1.819 CNC(=O)CCCSC1CCCC1=O 62a_100000211823_100000741757 [0,0,0,1,0,0|3,0,0]=4 4582 B14R1.819 CNC(=O)CCCSC1CCCC1=O 62a_100000741757_100000211823 [0,0,0,1,0,0|3,0,0]=4 4583 B14R1.819 COC(=O)CCCCN1CCC[C@@H]1C 2230a_100020605311_100000204269 [0,0,0,1,0,0|1,0,2]=4 4584 B14R1.819 COC(=O)CCCCN1CCC[C@@H]1C 269982a_100020605311_100000204269 [0,0,0,1,0,0|1,0,2]=4 4585 B14R1.819 COC(=O)CCCCN1CCC[C@H]1C 2230a_100015189458_100000204269 [0,0,0,1,0,0|1,0,2]=4 4586 B14R1.819 COC(=O)CCCCN1CCC[C@H]1C 269982a_100015189458_100000204269 [0,0,0,1,0,0|1,0,2]=4 4587 B14R1.819 COC(=O)CCCCN1CCC[C@H]1C 34a_100015189458_100000204269 [0,0,0,1,0,0|1,0,2]=4 4588 B14R1.819 COC(=O)CCCNC1CCNC1=O 2230a_100016995588_100011218270 [0,0,0,1,0,0|3,0,0]=4 4589 B14R1.819 COC(=O)CCCNC1CCNC1=O 34a_100016995588_100000742333 [0,0,0,1,0,0|3,0,0]=4 4590 B14R1.819 COC(=O)CCCOC1CCCC1=O 34a_200000719330_100000742333 [0,0,0,1,0,0|2,0,0]=3 4591 B14R1.819 COC(=O)CCCOC1CCCC1C 34a_100011216460_100000742333 [0,0,0,1,0,0|1,0,2]=4 4592 B14R1.819 COC(=O)CCCOC1CCCC1C 7a_100011216460_100011218270 [0,0,0,1,0,0|1,0,2]=4 4593 B14R1.819 COC(=O)CCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000742333 [0,0,0,1,0,0|2,0,1]=4 4594 B14R1.819 COC(=O)CCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000742333 [0,0,0,1,0,0|2,0,1]=4 4595 B14R1.819 COC(=O)CCCO[C@H]1CCNC1=O 34a_100000688343_100000742333 [0,0,0,1,0,0|3,0,0]=4 4596 B14R1.819 COC(=O)CCCSC1CCCC1=O 62a_100000211823_100011218270 [0,0,0,1,0,0|2,0,0]=3 4597 B14R1.819 COC(=O)CCCSC1CCCC1=O 62a_100011218270_100000211823 [0,0,0,1,0,0|2,0,0]=3 4598 B14R1.819 COC(=O)CCCSC1CCOC1=O 62a_100000211211_100011218270 [0,0,0,1,0,0|3,0,0]=4 4599 B14R1.819 COC(=O)CCCSC1CCOC1=O 62a_100011218270_100000211211 [0,0,0,1,0,0|3,0,0]=4 4600 B14R1.819 COC(=O)CCCS[C@@H]1CCC[C@H]1O 62a_100011218270_200016002552 [0,0,0,1,0,0|2,0,1]=4 4601 B14R1.819 COC(=O)CCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100011218270 [0,0,0,1,0,0|2,0,1]=4 4602 B14R1.819 COC(=O)CCOCC1CCCN1C 34a_100000743107_100000742370 [0,0,0,1,0,0|2,0,1]=4 4603 B14R1.819 COC(=O)CCOCC1CCNC1=O 34a_100000133458_100000742370 [0,0,0,1,0,0|3,0,0]=4 4604 B14R1.819 COC(=O)CCSCN1CCCC1=O 62a_100000026320_100000204255 [0,0,0,1,0,0|3,0,0]=4 4605 B14R1.819 COC(=O)CCSCN1CCCC1=O 62a_100000204255_100000026320 [0,0,0,1,0,0|3,0,0]=4 4606 B14R1.819 COC(=O)CNCCN1CCCC1=O 2230a_100011200922_100000747449 [0,0,0,1,0,0|3,0,0]=4 4607 B14R1.819 COC(=O)COCCC1CCCN1C 34a_100011215177_100000747449 [0,0,0,1,0,0|2,0,1]=4 4608 B14R1.819 COC(=O)COCCC1CCCN1C 7a_100011215177_100000747449 [0,0,0,1,0,0|2,0,1]=4 4609 B14R1.819 COC(=O)COCCN1CCCC1=O 34a_100000211209_100000747449 [0,0,0,1,0,0|3,0,0]=4 4610 B14R1.819 COC(=O)COCCN1CCCC1=O 7a_100000211209_100000747449 [0,0,0,1,0,0|3,0,0]=4 4611 B14R1.819 COC(=O)CSCCC1CCCN1C 62a_100000005710_100000747449 [0,0,0,1,0,0|2,0,1]=4 4612 B14R1.819 COC(=O)CSCCC1CCCN1C 62a_100000747449_100000005710 [0,0,0,1,0,0|2,0,1]=4 4613 B14R1.819 COC(=O)CSCCN1CCCC1=O 62a_100000739059_100000747449 [0,0,0,1,0,0|3,0,0]=4 4614 B14R1.819 COC(=O)CSCCN1CCCC1=O 62a_100000747449_100000739059 [0,0,0,1,0,0|3,0,0]=4 4615 B14R1.819 COC(=O)NCCOC1CCCC1=O 34a_100000757965_100000709159 [0,0,0,1,0,0|3,0,0]=4 4616 B14R1.819 COC(=O)OCCOC1CCCC1=O 34a_100010262106_100000709159 [0,0,0,1,0,0|3,0,0]=4 4617 B14R1.822 COC(=O)CCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100009816466 [0,0,0,1,0,0|2,0,1]=4 4618 B14R1.822 COC(=O)CCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100009816466 [0,0,0,1,0,0|2,0,1]=4 4619 B14R1.822 COC(=O)CCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100009816466 [0,0,0,1,0,0|2,0,1]=4 4620 B14R1.822 COC(=O)CCCCOCC1CC1C 34a_100000744939_100000204269 [0,0,0,1,0,0|1,0,2]=4 4621 B14R1.822 COC(=O)CCCCOCC1CC1C 7a_100000744939_100000204269 [0,0,0,1,0,0|1,0,2]=4 4622 B14R1.823 COC(=O)CCCCCCN1CCC1 269982a_100000754969_100009815986 [0,0,0,1,0,0|1,0,2]=4 4623 B14R1.823 COC(=O)CCCCCNC1CCC1 2230a_100000749019_100009816466 [0,0,0,1,0,0|1,0,2]=4 4624 B14R1.823 COC(=O)CCCCCNC1CCC1 34a_100000749019_100009816466 [0,0,0,1,0,0|1,0,2]=4 4625 B14R1.823 COC(=O)CCCCCNC1COC1 2230a_100016991112_100009816466 [0,0,0,1,0,0|2,0,1]=4 4626 B14R1.823 COC(=O)CCCCCOC1CCC1 34a_100000074720_100000749161 [0,0,0,1,0,0|1,0,2]=4 4627 B14R1.823 COC(=O)CCCCCOC1CCC1 34a_100000748187_100009816466 [0,0,0,1,0,0|1,0,2]=4 4628 B14R1.823 COC(=O)CCCCCOC1COC1 34a_100000074720_100009818527 [0,0,0,1,0,0|2,0,1]=4 4629 B14R1.823 COC(=O)CCCCCOC1COC1 7a_100000074720_100009818527 [0,0,0,1,0,0|2,0,1]=4 4630 B14R1.823 COC(=O)CCCCCOC1CSC1 7a_100000072292_100009816466 [0,0,0,1,0,0|2,0,1]=4 4631 B14R1.823 COC(=O)CCCCCSC1CCC1 62a_100009816466_100000749161 [0,0,0,1,0,0|1,0,2]=4 4632 B14R1.823 COC(=O)CCCCCSC1COC1 62a_100009816466_100009818527 [0,0,0,1,0,0|2,0,1]=4 4633 B14R1.823 COC(=O)CCCCNCC1CCC1 2230a_100000738700_100000204269 [0,0,0,1,0,0|1,0,2]=4 4634 B14R1.823 COC(=O)CCCCNCC1CCC1 34a_100000738700_100000204269 [0,0,0,1,0,0|1,0,2]=4 4635 B14R1.823 COC(=O)CCCCNCC1COC1 2230a_100015281925_100000204269 [0,0,0,1,0,0|2,0,1]=4 4636 B14R1.823 COC(=O)CCCCNCC1COC1 34a_100015281925_100000204269 [0,0,0,1,0,0|2,0,1]=4 4637 B14R1.823 COC(=O)CCCCNC[C@@H]1CCO1 2230a_100020831831_100000204269 [0,0,0,1,0,0|2,0,1]=4 4638 B14R1.823 COC(=O)CCCCNC[C@@H]1CCO1 34a_100020831831_100000204269 [0,0,0,1,0,0|2,0,1]=4 4639 B14R1.823 COC(=O)CCCCOCC1CCC1 34a_100000059025_100000763275 [0,0,0,1,0,0|1,0,2]=4 4640 B14R1.823 COC(=O)CCCCOCC1CCC1 34a_100000760304_100000204269 [0,0,0,1,0,0|1,0,2]=4 4641 B14R1.823 COC(=O)CCCCOCC1CCC1 7a_100000059025_100000763275 [0,0,0,1,0,0|1,0,2]=4 4642 B14R1.823 COC(=O)CCCCOCC1CCO1 34a_100000039022_100000204269 [0,0,0,1,0,0|2,0,1]=4 4643 B14R1.823 COC(=O)CCCCOCC1CCO1 34a_100000059025_100000103362 [0,0,0,1,0,0|2,0,1]=4 4644 B14R1.823 COC(=O)CCCCOCC1CCO1 7a_100000059025_100000103362 [0,0,0,1,0,0|2,0,1]=4 4645 B14R1.823 COC(=O)CCCCOCC1CNC1 34a_100016987283_100000204269 [0,0,0,1,0,0|2,0,1]=4 4646 B14R1.823 COC(=O)CCCCOCC1COC1 34a_100000059025_100010264016 [0,0,0,1,0,0|2,0,1]=4 4647 B14R1.823 COC(=O)CCCCOCC1COC1 34a_100000060846_100000204269 [0,0,0,1,0,0|2,0,1]=4 4648 B14R1.823 COC(=O)CCCCOCC1COC1 7a_100000059025_100010264016 [0,0,0,1,0,0|2,0,1]=4 4649 B14R1.823 COC(=O)CCCCSCC1CCC1 62a_100000204269_100000763275 [0,0,0,1,0,0|1,0,2]=4 4650 B14R1.823 COC(=O)CCCCSCC1CCC1 62a_100000763275_100000204269 [0,0,0,1,0,0|1,0,2]=4 4651 B14R1.823 COC(=O)CCCCSCC1CCO1 62a_100000103362_100000204269 [0,0,0,1,0,0|2,0,1]=4 4652 B14R1.823 COC(=O)CCCCSCC1CCO1 62a_100000204269_100000103362 [0,0,0,1,0,0|2,0,1]=4 4653 B14R1.823 COC(=O)CCCCSCC1COC1 62a_100000204269_100010264016 [0,0,0,1,0,0|2,0,1]=4 4654 B14R1.823 COC(=O)CCCCSCC1COC1 62a_100010264016_100000204269 [0,0,0,1,0,0|2,0,1]=4 4655 B14R1.823 COC(=O)CCCOCCC1COC1 34a_100009855314_100000742333 [0,0,0,1,0,0|2,0,1]=4 4656 B14R1.827 COC(=O)CCCCCCNC1CC1 34a_100000212008_100009815986 [0,0,0,1,0,0|1,0,2]=4 4657 B14R1.827 COC(=O)CCCCCCOC1CC1 34a_100009863599_100000211595 [0,0,0,1,0,0|1,0,2]=4 4658 B14R1.827 COC(=O)CCCCCCSC1CC1 62a_100009815986_100000211595 [0,0,0,1,0,0|1,0,2]=4 4659 B14R1.827 COC(=O)CCCCCNCC1CC1 2230a_100000735609_100009816466 [0,0,0,1,0,0|1,0,2]=4 4660 B14R1.827 COC(=O)CCCCCNCC1CC1 34a_100000735609_100009816466 [0,0,0,1,0,0|1,0,2]=4 4661 B14R1.827 COC(=O)CCCCCOCC1CC1 34a_100000074720_100000742324 [0,0,0,1,0,0|1,0,2]=4 4662 B14R1.827 COC(=O)CCCCCOCC1CC1 34a_100000211283_100009816466 [0,0,0,1,0,0|1,0,2]=4 4663 B14R1.827 COC(=O)CCCCCOCC1CC1 7a_100000074720_100000742324 [0,0,0,1,0,0|1,0,2]=4 4664 B14R1.827 COC(=O)CCCCCOCC1CO1 34a_100000074720_102125554688 [0,0,0,1,0,0|2,0,1]=4 4665 B14R1.827 COC(=O)CCCCCOCC1CO1 7a_100000074720_102125554688 [0,0,0,1,0,0|2,0,1]=4 4666 B14R1.827 COC(=O)CCCCCOCC1CS1 7a_100000074720_100000031435 [0,0,0,1,0,0|2,0,1]=4 4667 B14R1.827 COC(=O)CCCCCOC[C@@H]1CO1 34a_100000757423_100009816466 [0,0,0,1,0,0|2,0,1]=4 4668 B14R1.827 COC(=O)CCCCCOC[C@@H]1CO1 7a_100000074720_100000745022 [0,0,0,1,0,0|2,0,1]=4 4669 B14R1.827 COC(=O)CCCCCSCC1CC1 62a_100000756562_100009816466 [0,0,0,1,0,0|1,0,2]=4 4670 B14R1.827 COC(=O)CCCCCSCC1CC1 62a_100009816466_100000742324 [0,0,0,1,0,0|1,0,2]=4 4671 B14R1.827 COC(=O)CCCCCSCC1CO1 62a_100009816466_102125554688 [0,0,0,1,0,0|2,0,1]=4 4672 B14R1.827 COC(=O)CCCCCSCC1CO1 62a_102125554688_100009816466 [0,0,0,1,0,0|2,0,1]=4 4673 B14R1.827 COC(=O)CCCCCSCC1CS1 62a_100000031435_100009816466 [0,0,0,1,0,0|2,0,1]=4 4674 B14R1.827 COC(=O)CCCCCSCC1CS1 62a_100009816466_100000031435 [0,0,0,1,0,0|2,0,1]=4 4675 B14R1.827 COC(=O)CCCCCSC[C@@H]1CO1 62a_100000745022_100009816466 [0,0,0,1,0,0|2,0,1]=4 4676 B14R1.827 COC(=O)CCCCCSC[C@@H]1CO1 62a_100009816466_100000745022 [0,0,0,1,0,0|2,0,1]=4 4677 B14R1.827 COC(=O)CCCCNCCC1CC1 34a_100000764129_100000204269 [0,0,0,1,0,0|1,0,2]=4 4678 B14R1.827 COC(=O)CCCCOCCC1CC1 34a_100000059025_100000694398 [0,0,0,1,0,0|1,0,2]=4 4679 B14R1.827 COC(=O)CCCCOCCC1CC1 34a_100000754188_100000204269 [0,0,0,1,0,0|1,0,2]=4 4680 B14R1.827 COC(=O)CCCCOCCC1CC1 7a_100000059025_100000764125 [0,0,0,1,0,0|1,0,2]=4 4681 B14R1.827 COC(=O)CCCCOCCC1CC1 7a_100000754188_100000204269 [0,0,0,1,0,0|1,0,2]=4 4682 B14R1.827 COC(=O)CCCCOCCC1CO1 34a_100000059025_100000732470 [0,0,0,1,0,0|2,0,1]=4 4683 B14R1.827 COC(=O)CCCCOCCC1CO1 7a_100000059025_100000732470 [0,0,0,1,0,0|2,0,1]=4 4684 B14R1.827 COC(=O)CCCCOCC[C@@H]1CO1 34a_100009820653_100000204269 [0,0,0,1,0,0|2,0,1]=4 4685 B14R1.827 COC(=O)CCCCSCCC1CC1 62a_100000204269_100000764125 [0,0,0,1,0,0|1,0,2]=4 4686 B14R1.827 COC(=O)CCCCSCCC1CC1 62a_100000764125_100000204269 [0,0,0,1,0,0|1,0,2]=4 4687 B14R1.827 COC(=O)CCCCSCCC1CO1 62a_100000204269_100000732470 [0,0,0,1,0,0|2,0,1]=4 4688 B14R1.827 COC(=O)CCCCSCCC1CO1 62a_100000732470_100000204269 [0,0,0,1,0,0|2,0,1]=4 4689 B14R1.827 COC(=O)CCCSCCCC1CO1 62a_100000733510_100011218270 [0,0,0,1,0,0|2,0,1]=4 4690 B14R1.827 COC(=O)CCCSCCCC1CO1 62a_100011218270_100000733510 [0,0,0,1,0,0|2,0,1]=4 4691 B14R1.831 CNC(=O)CCNCCC1CCC1=O 2230a_100000738227_200016118888 [0,0,0,1,0,0|3,0,0]=4 4692 B14R1.831 CNC(=O)CCSCCC1CCC1=O 62a_100000737683_200016118888 [0,0,0,1,0,0|3,0,0]=4 4693 B14R1.831 CNC(=O)CCSCCC1CCC1=O 62a_200016118888_100000737683 [0,0,0,1,0,0|3,0,0]=4 4694 B14R1.831 COC(=O)CCCCCN1CCC1C 269982a_100000755817_100009816466 [0,0,0,1,0,0|1,0,2]=4 4695 B14R1.831 COC(=O)CCCCCN1CCC1C 34a_100000755817_100009816466 [0,0,0,1,0,0|1,0,2]=4 4696 B14R1.831 COC(=O)CCCCOC1CCC1=O 34a_100000059025_100009892977 [0,0,0,1,0,0|2,0,0]=3 4697 B14R1.831 COC(=O)CCCCOC1CCC1=O 7a_100000059025_100009892977 [0,0,0,1,0,0|2,0,0]=3 4698 B14R1.831 COC(=O)CCCCSC1CCC1=O 62a_100000204269_100009892977 [0,0,0,1,0,0|2,0,0]=3 4699 B14R1.831 COC(=O)CCCCSC1CCC1=O 62a_100009892977_100000204269 [0,0,0,1,0,0|2,0,0]=3 4700 B14R1.831 COC(=O)CCSCCC1CCC1=O 62a_100000204255_200016118888 [0,0,0,1,0,0|2,0,0]=3 4701 B14R1.831 COC(=O)CCSCCC1CCC1=O 62a_200016118888_100000204255 [0,0,0,1,0,0|2,0,0]=3 4702 B14R1.831 COC(=O)COCCSC1CCC1=O 62a_100000090808_100009892977 [0,0,0,1,0,0|3,0,0]=4 4703 B14R1.831 COC(=O)COCCSC1CCC1=O 62a_100009892977_100000090808 [0,0,0,1,0,0|3,0,0]=4 4704 B14R1.831 COC(=O)OCSCCC1CCC1=O 62a_200016118888_100000139417 [0,0,0,1,0,0|3,0,0]=4 4705 B14R1.837 CCC(=O)CCCN1CCCCC1=O 1458a_100011236284_100000210202 [0,0,0,1,0,0|3,0,0]=4 4706 B14R1.837 CCC(=O)COCC1CCCCC1=O 7a_100009861125_100000747405 [0,0,0,1,0,0|3,0,0]=4 4707 B14R1.837 CNC(=O)CCCN1CCCCC1=O 11a_106832991635_100011236284 [0,0,0,1,0,0|3,0,0]=4 4708 B14R1.837 CNC(=O)CCCN1CCCCC1=O 1626a_100102657272_100011236284 [0,0,0,1,0,0|3,0,0]=4 4709 B14R1.837 CNC(=O)CCCN1CCCCC1=O 240690a_100102657272_100011236284 [0,0,0,1,0,0|3,0,0]=4 4710 B14R1.837 CNC(=O)CCCN1CCCCC1=O 527a_100102657272_100011236284 [0,0,0,1,0,0|3,0,0]=4 4711 B14R1.837 CNC(=O)CCNC1CCCCC1=O 34a_100000738227_100000754470 [0,0,0,1,0,0|3,0,0]=4 4712 B14R1.837 CNC(=O)CCOC1CCCCC1=O 34a_100000754576_100000754470 [0,0,0,1,0,0|3,0,0]=4 4713 B14R1.837 CNC(=O)CCOC1CCCCC1=O 34a_100011214950_100012179268 [0,0,0,1,0,0|3,0,0]=4 4714 B14R1.837 CNC(=O)CCSC1CCCCC1=O 62a_100000204591_100000737683 [0,0,0,1,0,0|3,0,0]=4 4715 B14R1.837 CNC(=O)CCSC1CCCCC1=O 62a_100000737683_100000204591 [0,0,0,1,0,0|3,0,0]=4 4716 B14R1.837 CNC(=O)COCC1CCCCC1=O 34a_100009861125_100000183359 [0,0,0,1,0,0|3,0,0]=4 4717 B14R1.837 CNC(=O)COCC1CCCCC1=O 7a_100009861125_100000183359 [0,0,0,1,0,0|3,0,0]=4 4718 B14R1.837 COC(=O)CCCN1CCCCC1C 2230a_100000211376_100011218270 [0,0,0,1,0,0|1,0,2]=4 4719 B14R1.837 COC(=O)CCCN1CCCCC1C 269982a_100000211376_100011218270 [0,0,0,1,0,0|1,0,2]=4 4720 B14R1.837 COC(=O)CCCN1CCCCC1C 34a_100000211376_100000742333 [0,0,0,1,0,0|1,0,2]=4 4721 B14R1.837 COC(=O)CCNC1CCCCC1C 2230a_100000211402_100000204255 [0,0,0,1,0,0|1,0,2]=4 4722 B14R1.837 COC(=O)CCNC1CCCCC1C 34a_100000211402_100000742370 [0,0,0,1,0,0|1,0,2]=4 4723 B14R1.837 COC(=O)CCNC1CCCNC1=O 2230a_100000747585_100000204255 [0,0,0,1,0,0|3,0,0]=4 4724 B14R1.837 COC(=O)CCNC1CCCNC1=O 34a_100000747585_100000742370 [0,0,0,1,0,0|3,0,0]=4 4725 B14R1.837 COC(=O)CCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000204255 [0,0,0,1,0,0|2,0,1]=4 4726 B14R1.837 COC(=O)CCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000742370 [0,0,0,1,0,0|2,0,1]=4 4727 B14R1.837 COC(=O)CCOC1CCCCC1=O 34a_100011214950_100000742370 [0,0,0,1,0,0|2,0,0]=3 4728 B14R1.837 COC(=O)CCOC1CCCCC1C 34a_100000211207_100000742370 [0,0,0,1,0,0|1,0,2]=4 4729 B14R1.837 COC(=O)CCOC1CCCCC1C 7a_100000211207_100000204255 [0,0,0,1,0,0|1,0,2]=4 4730 B14R1.837 COC(=O)CCOC1CCCCC1Cl 34a_100000038908_100000742370 [0,0,0,1,0,0|2,0,1]=4 4731 B14R1.837 COC(=O)CCOC1CCCCC1Cl 7a_100000038908_100000204255 [0,0,0,1,0,0|2,0,1]=4 4732 B14R1.837 COC(=O)CCOC1CCCNC1=O 34a_100000073722_100000742370 [0,0,0,1,0,0|3,0,0]=4 4733 B14R1.837 COC(=O)CCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000742370 [0,0,0,1,0,0|2,0,1]=4 4734 B14R1.837 COC(=O)CCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000204255 [0,0,0,1,0,0|2,0,1]=4 4735 B14R1.837 COC(=O)CCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000742370 [0,0,0,1,0,0|2,0,1]=4 4736 B14R1.837 COC(=O)CCSC1CCCCC1=O 62a_100000204255_100000204591 [0,0,0,1,0,0|2,0,0]=3 4737 B14R1.837 COC(=O)CCSC1CCCCC1=O 62a_100000204591_100000204255 [0,0,0,1,0,0|2,0,0]=3 4738 B14R1.837 COC(=O)CCSC1CCCCC1F 62a_100000204255_100015423560 [0,0,0,1,0,0|2,0,1]=4 4739 B14R1.837 COC(=O)CCSC1CCCCC1F 62a_100015423560_100000204255 [0,0,0,1,0,0|2,0,1]=4 4740 B14R1.837 COC(=O)CCSC1CCCCC1O 62a_100000038908_100000204255 [0,0,0,1,0,0|2,0,1]=4 4741 B14R1.837 COC(=O)CCSC1CCCCC1O 62a_100000204255_100000038908 [0,0,0,1,0,0|2,0,1]=4 4742 B14R1.837 COC(=O)CCSC1CCCNC1=O 62a_100000204255_100000687798 [0,0,0,1,0,0|3,0,0]=4 4743 B14R1.837 COC(=O)CCSC1CCCNC1=O 62a_100000687798_100000204255 [0,0,0,1,0,0|3,0,0]=4 4744 B14R1.837 COC(=O)CCSC1COCCC1=O 62a_100000204255_100012180262 [0,0,0,1,0,0|3,0,0]=4 4745 B14R1.837 COC(=O)CCSC1COCCC1=O 62a_100012180262_100000204255 [0,0,0,1,0,0|3,0,0]=4 4746 B14R1.837 COC(=O)CNCC1CCCCC1O 34a_100011216029_100000747449 [0,0,0,1,0,0|2,0,1]=4 4747 B14R1.837 COC(=O)CNCC1CCCCN1C 34a_100011228421_100000747449 [0,0,0,1,0,0|2,0,1]=4 4748 B14R1.837 COC(=O)COCC1CCCCC1=O 34a_100009861125_100000747449 [0,0,0,1,0,0|2,0,0]=3 4749 B14R1.837 COC(=O)COCC1CCCCC1=O 7a_100009861125_100000747449 [0,0,0,1,0,0|2,0,0]=3 4750 B14R1.837 COC(=O)COCC1CCCCN1C 34a_100000225079_100000747449 [0,0,0,1,0,0|2,0,1]=4 4751 B14R1.837 COC(=O)CSCC1CCCCN1C 62a_100000747449_100015185383 [0,0,0,1,0,0|2,0,1]=4 4752 B14R1.837 COC(=O)CSCC1CCCCN1C 62a_100015185383_100000747449 [0,0,0,1,0,0|2,0,1]=4 4753 B14R1.837 COC(=O)OCSC1CCCCC1=O 62a_100000204591_100000139417 [0,0,0,1,0,0|3,0,0]=4 4754 B14R1.863 C#CC1CCCCN1CCC(=O)OC 2230a_200020621307_100000204255 [0,0,0,1,0,0|1,0,2]=4 4755 B14R1.863 C#CC1CCCCN1CCC(=O)OC 269982a_200020621307_100000204255 [0,0,0,1,0,0|1,0,2]=4 4756 B14R1.863 C#CC1CCCCN1CCC(=O)OC 34a_200020621307_100000742370 [0,0,0,1,0,0|1,0,2]=4 4757 B14R1.863 CCC1CCCCC1OCC(=O)OC 34a_100000210738_100000747449 [0,0,0,1,0,0|1,0,2]=4 4758 B14R1.863 CCC1CCCCC1OCC(=O)OC 7a_100000210738_100000747449 [0,0,0,1,0,0|1,0,2]=4 4759 B14R1.863 CCC1CCCCN1CCC(=O)OC 2230a_100000210034_100000204255 [0,0,0,1,0,0|1,0,2]=4 4760 B14R1.863 CCC1CCCCN1CCC(=O)OC 269982a_100000210034_100000204255 [0,0,0,1,0,0|1,0,2]=4 4761 B14R1.863 CCC1CCCCN1CCC(=O)OC 34a_100000210034_100000742370 [0,0,0,1,0,0|1,0,2]=4 4762 B14R1.863 CN[C@@H]1CCCC[C@H]1OCC(=O)OC 34a_100000708425_100000747449 [0,0,0,1,0,0|2,0,1]=4 4763 B14R1.863 COC(=O)CCN1CCCCC1C#N 34a_100016989756_100000742370 [0,0,0,1,0,0|2,0,1]=4 4764 B14R1.863 COC(=O)CCN1CCCCC1CO 2230a_100000210821_100000204255 [0,0,0,1,0,0|2,0,1]=4 4765 B14R1.863 COC(=O)CCN1CCCCC1CO 269982a_100000210821_100000204255 [0,0,0,1,0,0|2,0,1]=4 4766 B14R1.863 COC(=O)CCN1CCCCC1CO 34a_100000210821_100000742370 [0,0,0,1,0,0|2,0,1]=4 4767 B14R1.863 COC(=O)CNC1CCCCC1OC 34a_100011208099_100000747449 [0,0,0,1,0,0|2,0,1]=4 4768 B14R1.863 COC(=O)COC1CCCCC1CN 34a_100011216029_100000747449 [0,0,0,1,0,0|2,0,1]=4 4769 B14R1.863 COC(=O)CO[C@H]1CCCC[C@@H]1OC 34a_200009815850_100000747449 [0,0,0,1,0,0|2,0,1]=4 4770 B14R1.863 COC(=O)CO[C@H]1CCCC[C@@H]1OC 7a_200009815850_100000747449 [0,0,0,1,0,0|2,0,1]=4 4771 B14R1.891 C=CCCCCCCCCN1CCC1 269982a_100000754969_100011933949 [0,0,0,1,0,0|3,0,0]=4 4772 B14R1.891 C=CCCCCCCNC[C@@H]1CCO1 2230a_100020831831_100011215473 [0,0,0,1,0,0|2,0,1]=4 4773 B14R1.891 C=CCCCCCCNC[C@@H]1CCO1 34a_100020831831_100011215473 [0,0,0,1,0,0|2,0,1]=4 4774 B14R1.891 C=CCCCCCCOCC1CCO1 34a_100000039022_100011215473 [0,0,0,1,0,0|2,0,1]=4 4775 B14R1.891 C=CCCCCCCOCC1CCO1 34a_200011216477_100000103362 [0,0,0,1,0,0|2,0,1]=4 4776 B14R1.891 C=CCCCCCCOCC1CCO1 7a_200011216477_100000103362 [0,0,0,1,0,0|2,0,1]=4 4777 B14R1.891 C=CCCCCCCSCC1CCO1 62a_100000103362_100011215473 [0,0,0,1,0,0|2,0,1]=4 4778 B14R1.891 C=CCCCCCCSCC1CCO1 62a_100011215473_100000103362 [0,0,0,1,0,0|2,0,1]=4 4779 B14R1.913 C#CCCCN1CCC[C@H]1C(=O)OC 2230a_100000752040_100000731252 [0,0,0,1,0,0|1,0,2]=4 4780 B14R1.913 C#CCCCN1CCC[C@H]1C(=O)OC 269982a_100000752040_100011215417 [0,0,0,1,0,0|1,0,2]=4 4781 B14R1.913 C#CCCOC1CCCC1C(=O)OC 34a_200000081814_100000688953 [0,0,0,1,0,0|1,0,2]=4 4782 B14R1.913 C#CCCOC1CCCC1C(=O)OC 7a_200000081814_100000688953 [0,0,0,1,0,0|1,0,2]=4 4783 B14R1.913 C/C=C/COC1CCCC1C(=O)OC 34a_200000081814_100102629194 [0,0,0,1,0,0|1,0,2]=4 4784 B14R1.913 C/C=C/COC1CCCC1C(=O)OC 7a_200000081814_100102629194 [0,0,0,1,0,0|1,0,2]=4 4785 B14R1.913 C=CCCCN1CCC[C@H]1C(=O)NC 2230a_100015185040_100011713584 [0,0,0,1,0,0|2,0,0]=3 4786 B14R1.913 C=CCCCN1CCC[C@H]1C(=O)NC 269982a_100015185040_100000757094 [0,0,0,1,0,0|2,0,0]=3 4787 B14R1.913 C=CCCCN1CCC[C@H]1C(=O)NC 34a_100015185040_100000757094 [0,0,0,1,0,0|2,0,0]=3 4788 B14R1.913 C=CCCCN1CCC[C@H]1C(=O)OC 2230a_100000752040_100011713584 [0,0,0,1,0,0|1,0,0]=2 4789 B14R1.913 C=CCCCN1CCC[C@H]1C(=O)OC 269982a_100000752040_100000757094 [0,0,0,1,0,0|1,0,0]=2 4790 B14R1.913 C=CCCCN1CCSC1C(=O)OC 2230a_100015296106_100011713584 [0,0,0,1,0,0|2,0,0]=3 4791 B14R1.913 C=CCCCN1CCSC1C(=O)OC 269982a_100015296106_100000757094 [0,0,0,1,0,0|2,0,0]=3 4792 B14R1.913 C=CCCCN1CSCC1C(=O)OC 269982a_200000724679_100000757094 [0,0,0,1,0,0|2,0,0]=3 4793 B14R1.913 C=CCCOC1CCCC1C(=O)OC 34a_200000081814_100000754431 [0,0,0,1,0,0|1,0,0]=2 4794 B14R1.913 C=CCCOC1CCCC1C(=O)OC 7a_200000081814_100000754431 [0,0,0,1,0,0|1,0,0]=2 4795 B14R1.913 C=COCCN1CCC[C@H]1C(=O)NC 2230a_100015185040_100000039644 [0,0,0,1,0,0|3,0,0]=4 4796 B14R1.913 C=COCCN1CCC[C@H]1C(=O)NC 269982a_100015185040_100000039644 [0,0,0,1,0,0|3,0,0]=4 4797 B14R1.913 C=COCCN1CCC[C@H]1C(=O)NC 34a_100015185040_100000039644 [0,0,0,1,0,0|3,0,0]=4 4798 B14R1.913 C=COCCN1CCC[C@H]1C(=O)OC 2230a_100000752040_100000039644 [0,0,0,1,0,0|2,0,0]=3 4799 B14R1.913 C=COCCN1CCC[C@H]1C(=O)OC 269982a_100000752040_100000039644 [0,0,0,1,0,0|2,0,0]=3 4800 B14R1.913 C=COCCN1CCSC1C(=O)OC 2230a_100015296106_100000039644 [0,0,0,1,0,0|3,0,0]=4 4801 B14R1.913 C=COCCN1CCSC1C(=O)OC 269982a_100015296106_100000039644 [0,0,0,1,0,0|3,0,0]=4 4802 B14R1.913 C=COCCN1CSCC1C(=O)OC 269982a_200000724679_100000039644 [0,0,0,1,0,0|3,0,0]=4 4803 B14R1.913 CC=CCOC1CCCC1C(=O)OC 34a_200000081814_100000070051 [0,0,0,1,0,0|1,0,2]=4 4804 B14R1.913 CC=CCOC1CCCC1C(=O)OC 7a_200000081814_100000070051 [0,0,0,1,0,0|1,0,2]=4 4805 B14R1.913 CCCCCN1CCC[C@H]1C(=O)OC 2230a_100000752040_100000210326 [0,0,0,1,0,0|1,0,2]=4 4806 B14R1.913 CCCCCN1CCC[C@H]1C(=O)OC 269982a_100000752040_100000210215 [0,0,0,1,0,0|1,0,2]=4 4807 B14R1.913 CCCCOC1CCCC1C(=O)OC 34a_200000081814_100000210210 [0,0,0,1,0,0|1,0,2]=4 4808 B14R1.913 CCCCOC1CCCC1C(=O)OC 7a_200000081814_100000210211 [0,0,0,1,0,0|1,0,2]=4 4809 B14R1.913 CNC(=O)[C@@H]1CCCN1CCCC=O 2230a_100015185040_200011292268 [0,0,0,1,0,0|3,0,0]=4 4810 B14R1.913 CNC(=O)[C@@H]1CCCN1CCCC=O 269982a_100015185040_200011292268 [0,0,0,1,0,0|3,0,0]=4 4811 B14R1.913 COC(=O)C1CCCC1OCCC#N 7a_200000081814_100000184422 [0,0,0,1,0,0|2,0,1]=4 4812 B14R1.913 COC(=O)C1CCCC1OCCCF 34a_200000081814_100011934791 [0,0,0,1,0,0|2,0,1]=4 4813 B14R1.913 COC(=O)C1CCCC1OCCCF 7a_200000081814_100011934791 [0,0,0,1,0,0|2,0,1]=4 4814 B14R1.913 COC(=O)C1CCCC1OCCCO 34a_200000081814_100000230001 [0,0,0,1,0,0|2,0,1]=4 4815 B14R1.913 COC(=O)C1CCCC1OCCCO 7a_200000081814_100011215043 [0,0,0,1,0,0|2,0,1]=4 4816 B14R1.913 COC(=O)C1CCCC1OCCSC 34a_200000081814_100000212216 [0,0,0,1,0,0|2,0,1]=4 4817 B14R1.913 COC(=O)C1CCCC1OCCSC 7a_200000081814_100000212216 [0,0,0,1,0,0|2,0,1]=4 4818 B14R1.913 COC(=O)C1CSCN1CCCC=O 269982a_200000724679_200011292268 [0,0,0,1,0,0|3,0,0]=4 4819 B14R1.913 COC(=O)C1SCCN1CCCC=O 2230a_100015296106_200011292268 [0,0,0,1,0,0|3,0,0]=4 4820 B14R1.913 COC(=O)C1SCCN1CCCC=O 269982a_100015296106_200011292268 [0,0,0,1,0,0|3,0,0]=4 4821 B14R1.913 COC(=O)[C@@H]1CCCN1CCCC#N 2230a_100000752040_100000687738 [0,0,0,1,0,0|2,0,1]=4 4822 B14R1.913 COC(=O)[C@@H]1CCCN1CCCC#N 269982a_100000752040_100000687738 [0,0,0,1,0,0|2,0,1]=4 4823 B14R1.913 COC(=O)[C@@H]1CCCN1CCCC=O 2230a_100000752040_200011292268 [0,0,0,1,0,0|2,0,0]=3 4824 B14R1.913 COC(=O)[C@@H]1CCCN1CCCC=O 269982a_100000752040_200011292268 [0,0,0,1,0,0|2,0,0]=3 4825 B14R1.913 COC(=O)[C@@H]1CCCN1CCCCF 2230a_100000752040_100000729493 [0,0,0,1,0,0|2,0,1]=4 4826 B14R1.913 COC(=O)[C@@H]1CCCN1CCCCF 269982a_100000752040_100000729493 [0,0,0,1,0,0|2,0,1]=4 4827 B14R1.913 COC(=O)[C@@H]1CCCN1CCCCO 2230a_100000752040_100000210776 [0,0,0,1,0,0|2,0,1]=4 4828 B14R1.913 COC(=O)[C@@H]1CCCN1CCCCO 269982a_100000752040_100000210776 [0,0,0,1,0,0|2,0,1]=4 4829 B14R1.913 COCCCN1CCC[C@H]1C(=O)OC 2230a_100000752040_100000740836 [0,0,0,1,0,0|2,0,1]=4 4830 B14R1.913 COCCCN1CCC[C@H]1C(=O)OC 269982a_100000752040_100000740836 [0,0,0,1,0,0|2,0,1]=4 4831 B14R1.913 COCCOC1CCCC1C(=O)OC 34a_200000081814_100011201679 [0,0,0,1,0,0|2,0,1]=4 4832 B14R1.913 COCCOC1CCCC1C(=O)OC 7a_200000081814_100000233755 [0,0,0,1,0,0|2,0,1]=4 4833 B14R1.1224 COC(=O)CN1CCCCCCCC1 2230a_100000039187_100000747449 [0,0,0,1,0,0|1,0,2]=4 4834 B14R1.1224 COC(=O)CN1CCCCCCCC1 269982a_100000039187_100000747449 [0,0,0,1,0,0|1,0,2]=4 4835 B14R1.1224 COC(=O)CN1CCCCCCCC1 34a_100000039187_100000747449 [0,0,0,1,0,0|1,0,2]=4 4836 B14R1.1253 C=CCCCCN1CCNC(=O)CC1 2230a_100000698595_100011215482 [0,0,0,1,0,0|3,0,0]=4 4837 B14R1.1253 C=CCCCCN1CCNC(=O)CC1 269982a_100000698595_100011215482 [0,0,0,1,0,0|3,0,0]=4 4838 B14R1.1586 COC(=O)CCCN1CCCCCC1 2230a_100000185865_100011218270 [0,0,0,1,0,0|1,0,2]=4 4839 B14R1.1586 COC(=O)CCCN1CCCCCC1 269982a_100000185865_100011218270 [0,0,0,1,0,0|1,0,2]=4 4840 B14R1.1586 COC(=O)CCCN1CCCCCC1 34a_100000185865_100000742333 [0,0,0,1,0,0|1,0,2]=4 4841 B14R1.1586 COC(=O)CCNC1CCCCCC1 2230a_100000210984_100000204255 [0,0,0,1,0,0|1,0,2]=4 4842 B14R1.1586 COC(=O)CCNC1CCCCCC1 34a_100000210984_100000742370 [0,0,0,1,0,0|1,0,2]=4 4843 B14R1.1586 COC(=O)CCOC1CCCCCC1 34a_100000210887_100000742370 [0,0,0,1,0,0|1,0,2]=4 4844 B14R1.1586 COC(=O)CCOC1CCCCCC1 7a_100000210887_100000204255 [0,0,0,1,0,0|1,0,2]=4 4845 B14R1.1586 COC(=O)CCSC1CCCCCC1 62a_100000204255_100011217769 [0,0,0,1,0,0|1,0,2]=4 4846 B14R1.1586 COC(=O)CCSC1CCCCCC1 62a_100011217769_100000204255 [0,0,0,1,0,0|1,0,2]=4 4847 B14R1.1586 COC(=O)CNCC1CCCCCC1 2230a_100015204231_100000747449 [0,0,0,1,0,0|1,0,2]=4 4848 B14R1.1586 COC(=O)CNCC1CCCCCC1 34a_100015204231_100000747449 [0,0,0,1,0,0|1,0,2]=4 4849 B14R1.1586 COC(=O)COCC1CCCCCC1 34a_100000699130_100000747449 [0,0,0,1,0,0|1,0,2]=4 4850 B14R1.1586 COC(=O)COCC1CCCCCC1 7a_100000699130_100000747449 [0,0,0,1,0,0|1,0,2]=4 4851 B14R1.1586 COC(=O)CSCC1CCCCCC1 62a_100000747449_200000696569 [0,0,0,1,0,0|1,0,2]=4 4852 B14R1.1586 COC(=O)CSCC1CCCCCC1 62a_200000696569_100000747449 [0,0,0,1,0,0|1,0,2]=4 4853 B14R1.2350 C#CCCCCCN1CC1C(=O)OC 2230a_200009830135_100012094781 [0,0,0,1,0,0|1,0,2]=4 4854 B14R1.2350 C=CCCCCCN1CC1C(=O)OC 2230a_200009830135_100000700193 [0,0,0,1,0,0|1,0,0]=2 4855 B14R1.2350 CCCCCCCN1CC1C(=O)OC 2230a_200009830135_100000210681 [0,0,0,1,0,0|1,0,2]=4 4856 B14R1.2350 COC(=O)C1CN1CCCCCC#N 2230a_200009830135_100009813376 [0,0,0,1,0,0|2,0,1]=4 4857 B14R1.2350 COC(=O)C1CN1CCCCCC=O 2230a_200009830135_100000139337 [0,0,0,1,0,0|2,0,0]=3 4858 B14R1.2350 COC(=O)C1CN1CCCCCCF 2230a_200009830135_100015922095 [0,0,0,1,0,0|2,0,1]=4 4859 B14R1.2350 COC(=O)C1CN1CCCCCCO 2230a_200009830135_100000766143 [0,0,0,1,0,0|2,0,1]=4 4860 B14R1.3454 C=CCCCCCN1CC[C@H](C1)OC 2230a_100000766984_100000700193 [0,0,0,1,0,0|2,0,1]=4 4861 B14R1.3454 C=CCCCCCN1CC[C@H](C1)OC 269982a_100000766984_100000700193 [0,0,0,1,0,0|2,0,1]=4 4862 B14R1.4297 C#CCCCCN1CC[C@H]1C(=O)OC 2230a_102516456887_100010269958 [0,0,0,1,0,0|1,0,2]=4 4863 B14R1.4297 C#CCCCCN1CC[C@H]1C(=O)OC 269982a_102516456887_100010269958 [0,0,0,1,0,0|1,0,2]=4 4864 B14R1.4297 C=CCCCCN1CC[C@H]1C(=O)OC 2230a_102516456887_100011215482 [0,0,0,1,0,0|1,0,0]=2 4865 B14R1.4297 C=CCCCCN1CC[C@H]1C(=O)OC 269982a_102516456887_100011215482 [0,0,0,1,0,0|1,0,0]=2 4866 B14R1.4297 CCCCCCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000210314 [0,0,0,1,0,0|1,0,2]=4 4867 B14R1.4297 CCCCCCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000210757 [0,0,0,1,0,0|1,0,2]=4 4868 B14R1.4297 COC(=O)[C@@H]1CCN1CCCCC#N 2230a_102516456887_100000211819 [0,0,0,1,0,0|2,0,1]=4 4869 B14R1.4297 COC(=O)[C@@H]1CCN1CCCCC#N 269982a_102516456887_100011219923 [0,0,0,1,0,0|2,0,1]=4 4870 B14R1.4297 COC(=O)[C@@H]1CCN1CCCCC=O 2230a_102516456887_100000139335 [0,0,0,1,0,0|2,0,0]=3 4871 B14R1.4297 COC(=O)[C@@H]1CCN1CCCCC=O 269982a_102516456887_100000139335 [0,0,0,1,0,0|2,0,0]=3 4872 B14R1.4297 COC(=O)[C@@H]1CCN1CCCCCF 2230a_102516456887_100000729378 [0,0,0,1,0,0|2,0,1]=4 4873 B14R1.4297 COC(=O)[C@@H]1CCN1CCCCCF 269982a_102516456887_100000729378 [0,0,0,1,0,0|2,0,1]=4 4874 B14R1.4297 COC(=O)[C@@H]1CCN1CCCCCO 2230a_102516456887_100000746330 [0,0,0,1,0,0|2,0,1]=4 4875 B14R1.4297 COC(=O)[C@@H]1CCN1CCCCCO 269982a_102516456887_100000746330 [0,0,0,1,0,0|2,0,1]=4 4876 B14R1.4297 COCCCCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000730899 [0,0,0,1,0,0|2,0,1]=4 4877 B14R1.4297 COCCCCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000730899 [0,0,0,1,0,0|2,0,1]=4 4878 B14R1.4734 C=CCCCCCCN1CC(C1)OC 269982a_100000755009_100011215473 [0,0,0,1,0,0|2,0,1]=4 4879 B14R1.4734 C=CCCCCCN[C@H]1C[C@@H](C1)OC 2230a_100121570643_100000700193 [0,0,0,1,0,0|2,0,1]=4 4880 B14R1.6522 C=CCCCCCCOCC1(CO1)C 34a_200011216477_100000760498 [0,0,0,1,0,0|2,0,1]=4 4881 B14R1.6522 C=CCCCCCCSCC1(CO1)C 62a_100000760498_100011215473 [0,0,0,1,0,0|2,0,1]=4 4882 B14R1.6522 C=CCCCCCCSCC1(CO1)C 62a_100011215473_100000760498 [0,0,0,1,0,0|2,0,1]=4 4883 B14R1.7684 CNC(=O)COC1C=CCCCCC1 34a_100000688657_100000183359 [0,0,0,1,0,0|2,0,0]=3 4884 B14R1.7684 COC(=O)CCN1CCCCCCC1 2230a_100000211400_100000204255 [0,0,0,1,0,0|1,0,2]=4 4885 B14R1.7684 COC(=O)CCN1CCCCCCC1 269982a_100000211400_100000204255 [0,0,0,1,0,0|1,0,2]=4 4886 B14R1.7684 COC(=O)CCN1CCCCCCC1 34a_100000211400_100000742370 [0,0,0,1,0,0|1,0,2]=4 4887 B14R1.7684 COC(=O)CNC1CCCCCCC1 2230a_100000211152_100000747449 [0,0,0,1,0,0|1,0,2]=4 4888 B14R1.7684 COC(=O)CNC1CCCCCCC1 34a_100000211152_100000747449 [0,0,0,1,0,0|1,0,2]=4 4889 B14R1.7684 COC(=O)COC1C=CCCCCC1 34a_100000688657_100000747449 [0,0,0,1,0,0|1,0,0]=2 4890 B14R1.7684 COC(=O)COC1CCCCCCC1 34a_100000210054_100000747449 [0,0,0,1,0,0|1,0,2]=4 4891 B14R1.7684 COC(=O)COC1CCCCCCC1 7a_100000210054_100000747449 [0,0,0,1,0,0|1,0,2]=4 4892 B11R0.3 C#CCCCCCCCCOC 34a_100000065265_200000210301 [2,0,0,0,0,0|0,0,2]=4 4893 B11R0.3 C#CCCCCCCCCOC 7a_100000065265_200000210301 [2,0,0,0,0,0|0,0,2]=4 4894 B11R0.3 C#CCCCCCCCCO[13CH3] 34a_100000065265_200025704644 [2,0,0,0,0,0|0,0,2]=4 4895 B11R0.3 C#CCCCCCCCCO[13CH3] 7a_100000065265_200025704644 [2,0,0,0,0,0|0,0,2]=4 4896 B11R0.3 C=CCCCCCCCCNC 2230a_106832991635_100011933949 [2,0,0,0,0,0|1,0,0]=3 4897 B11R0.3 C=CCCCCCCCCNC 34a_100102657272_100011933949 [2,0,0,0,0,0|1,0,0]=3 4898 B11R0.3 C=CCCCCCCCCNC 7a_106832991635_100011933949 [2,0,0,0,0,0|1,0,0]=3 4899 B11R0.3 C=CCCCCCCCCOC 34a_100011215194_200000210301 [2,0,0,0,0,0|0,0,0]=2 4900 B11R0.3 C=CCCCCCCCCOC 34a_100138415774_100011933949 [2,0,0,0,0,0|0,0,0]=2 4901 B11R0.3 C=CCCCCCCCCOC 7a_100011215194_200000210301 [2,0,0,0,0,0|0,0,0]=2 4902 B11R0.3 C=CCCCCCCCCO[13CH3] 34a_100011215194_200025704644 [2,0,0,0,0,0|0,0,0]=2 4903 B11R0.3 C=CCCCCCCCCO[13CH3] 7a_100011215194_200025704644 [2,0,0,0,0,0|0,0,0]=2 4904 B11R0.3 C=CCCCCCCCCSC 62a_100011933949_200000210301 [2,0,0,0,0,0|0,1,0]=3 4905 B11R0.3 C=CCCCCCCCCSC 62a_200000210301_100011933949 [2,0,0,0,0,0|0,1,0]=3 4906 B11R0.3 C=CCCCCCCCCS[13CH3] 62a_100011933949_200025704644 [2,0,0,0,0,0|0,1,0]=3 4907 B11R0.3 C=CCCCCCCCCS[13CH3] 62a_200025704644_100011933949 [2,0,0,0,0,0|0,1,0]=3 4908 B11R0.3 C=CCCCCCCCNCC 2230a_100015525214_100012355270 [2,0,0,0,0,0|1,0,1]=4 4909 B11R0.3 C=CCCCCCCCOCC 34a_100000730831_100000210202 [2,0,0,0,0,0|1,0,1]=4 4910 B11R0.3 C=CCCCCCCCOCC 34a_100121572206_100012355270 [2,0,0,0,0,0|1,0,1]=4 4911 B11R0.3 C=CCCCCCCCOCC 7a_100000730831_100000210202 [2,0,0,0,0,0|1,0,1]=4 4912 B11R0.3 C=CCCCCCCCSCC 62a_100000210202_100012355270 [2,0,0,0,0,0|1,0,1]=4 4913 B11R0.3 C=CCCCCCCCSCC 62a_100012355270_100000210202 [2,0,0,0,0,0|1,0,1]=4 4914 B11R0.3 C=CCCCCCCNCC=C 2230a_100020586998_100011215473 [2,0,0,0,0,0|1,0,1]=4 4915 B11R0.3 C=CCCCCCCNCCO 2230a_100016997473_100011215473 [2,0,0,0,0,0|1,0,1]=4 4916 B11R0.3 C=CCCCCCCNCCO 34a_100016990907_100011215473 [2,0,0,0,0,0|1,0,1]=4 4917 B11R0.3 C=CCCCCCCOCC=C 34a_200000210373_100011215473 [2,0,0,0,0,0|1,0,1]=4 4918 B11R0.3 C=CCCCCCCOCC=C 34a_200011216477_100015514636 [2,0,0,0,0,0|1,0,1]=4 4919 B11R0.3 C=CCCCCCCOCC=C 7a_200011216477_100015514636 [2,0,0,0,0,0|1,0,1]=4 4920 B11R0.3 C=CCCCCCCOCC=O 34a_200011216477_200009817547 [2,0,0,0,0,0|1,0,0]=3 4921 B11R0.3 C=CCCCCCCOCC=O 7a_200011216477_200015260668 [2,0,0,0,0,0|1,0,0]=3 4922 B11R0.3 C=CCCCCCCOCCC 34a_100000210258_100011215473 [2,0,0,0,0,0|1,0,1]=4 4923 B11R0.3 C=CCCCCCCOCCC 34a_200011216477_100000210303 [2,0,0,0,0,0|1,0,1]=4 4924 B11R0.3 C=CCCCCCCOCCC 7a_200011216477_100000210303 [2,0,0,0,0,0|1,0,1]=4 4925 B11R0.3 C=CCCCCCCOCCO 34a_200011216477_100000211926 [2,0,0,0,0,0|1,0,1]=4 4926 B11R0.3 C=CCCCCCCOCCO 7a_200011216477_100000211926 [2,0,0,0,0,0|1,0,1]=4 4927 B11R0.3 C=CCCCCCCOCSC 34a_200011216477_100011218213 [2,0,0,0,0,0|1,1,0]=4 4928 B11R0.3 C=CCCCCCCSCC=C 62a_100000210623_100011215473 [2,0,0,0,0,0|1,0,1]=4 4929 B11R0.3 C=CCCCCCCSCC=C 62a_100011215473_100000210623 [2,0,0,0,0,0|1,0,1]=4 4930 B11R0.3 C=CCCCCCCSCC=O 62a_100011215473_200015260668 [2,0,0,0,0,0|1,0,0]=3 4931 B11R0.3 C=CCCCCCCSCC=O 62a_200015260668_100011215473 [2,0,0,0,0,0|1,0,0]=3 4932 B11R0.3 C=CCCCCCCSCCC 62a_100000210303_100011215473 [2,0,0,0,0,0|1,0,1]=4 4933 B11R0.3 C=CCCCCCCSCCC 62a_100011215473_100000210303 [2,0,0,0,0,0|1,0,1]=4 4934 B11R0.3 C=CCCCCCCSCCO 62a_100000211926_100011215473 [2,0,0,0,0,0|1,0,1]=4 4935 B11R0.3 C=CCCCCCCSCCO 62a_100011215473_100000211926 [2,0,0,0,0,0|1,0,1]=4 4936 B11R0.3 C=CCCCCCCSCOC 62a_100000766300_100011215473 [2,0,0,0,0,0|1,0,0]=3 4937 B11R0.3 C=CCCCCCCSCOC 62a_100011215473_100000766300 [2,0,0,0,0,0|1,0,0]=3 4938 B11R0.3 C=CCCCCCCSCSC 62a_100011215473_100011218213 [2,0,0,0,0,0|1,1,0]=4 4939 B11R0.3 C=CCCCCCCSCSC 62a_100011218213_100011215473 [2,0,0,0,0,0|1,1,0]=4 4940 B11R0.3 C=CCCCCCNCCC=C 2230a_100015191253_100000700193 [2,0,0,0,0,0|1,0,1]=4 4941 B11R0.3 C=CCCCCCNCCCC 2230a_100000102301_100000700193 [2,0,0,0,0,0|1,0,1]=4 4942 B11R0.3 C=CCCCCCNCCCC 7a_106832991798_100000700193 [2,0,0,0,0,0|1,0,1]=4 4943 B11R0.3 C=CCCCCCNCCOC 2230a_100000209980_100000700193 [2,0,0,0,0,0|1,0,0]=3 4944 B11R0.3 C=CCCCCCNCCSC 2230a_100020590264_100000700193 [2,0,0,0,0,0|1,1,0]=4 4945 B11R0.3 C=CCCCCCOC/C=C/C 34a_100011216702_100102629194 [2,0,0,0,0,0|1,0,1]=4 4946 B11R0.3 C=CCCCCCOC/C=C/C 34a_100016270725_100000700193 [2,0,0,0,0,0|1,0,1]=4 4947 B11R0.3 C=CCCCCCOC/C=C/C 7a_100011216702_100102629194 [2,0,0,0,0,0|1,0,1]=4 4948 B11R0.3 C=CCCCCCOCC=CC 34a_100011216702_100000070051 [2,0,0,0,0,0|1,0,1]=4 4949 B11R0.3 C=CCCCCCOCC=CC 7a_100011216702_100000070051 [2,0,0,0,0,0|1,0,1]=4 4950 B11R0.3 C=CCCCCCOCCC=C 34a_100011205117_100000700193 [2,0,0,0,0,0|1,0,1]=4 4951 B11R0.3 C=CCCCCCOCCC=C 34a_100011216702_100000754431 [2,0,0,0,0,0|1,0,1]=4 4952 B11R0.3 C=CCCCCCOCCC=C 7a_100011216702_100000754431 [2,0,0,0,0,0|1,0,1]=4 4953 B11R0.3 C=CCCCCCOCCCC 34a_100000210227_100000700193 [2,0,0,0,0,0|1,0,1]=4 4954 B11R0.3 C=CCCCCCOCCCC 34a_100011216702_100000210210 [2,0,0,0,0,0|1,0,1]=4 4955 B11R0.3 C=CCCCCCOCCCC 7a_100000210227_100000700193 [2,0,0,0,0,0|1,0,1]=4 4956 B11R0.3 C=CCCCCCOCCCC 7a_100011216702_100000210211 [2,0,0,0,0,0|1,0,1]=4 4957 B11R0.3 C=CCCCCCOCCCO 34a_100011216702_100000230001 [2,0,0,0,0,0|1,0,1]=4 4958 B11R0.3 C=CCCCCCOCCCO 7a_100011216702_100011215043 [2,0,0,0,0,0|1,0,1]=4 4959 B11R0.3 C=CCCCCCOCCOC 34a_100000210237_100000700193 [2,0,0,0,0,0|1,0,0]=3 4960 B11R0.3 C=CCCCCCOCCOC 34a_100011216702_100011201679 [2,0,0,0,0,0|1,0,0]=3 4961 B11R0.3 C=CCCCCCOCCOC 7a_100011216702_100000233755 [2,0,0,0,0,0|1,0,0]=3 4962 B11R0.3 C=CCCCCCOCCON 34a_100000700252_100000700193 [2,0,0,0,0,0|2,0,0]=4 4963 B11R0.3 C=CCCCCCOCCSC 34a_100000230434_100000700193 [2,0,0,0,0,0|1,1,0]=4 4964 B11R0.3 C=CCCCCCOCCSC 34a_100011216702_100000212216 [2,0,0,0,0,0|1,1,0]=4 4965 B11R0.3 C=CCCCCCOCCSC 7a_100000230434_100000700193 [2,0,0,0,0,0|1,1,0]=4 4966 B11R0.3 C=CCCCCCOCCSC 7a_100011216702_100000212216 [2,0,0,0,0,0|1,1,0]=4 4967 B11R0.3 C=CCCCCCSC/C=C/C 62a_100000700193_100102629194 [2,0,0,0,0,0|1,0,1]=4 4968 B11R0.3 C=CCCCCCSC/C=C/C 62a_100102629194_100000700193 [2,0,0,0,0,0|1,0,1]=4 4969 B11R0.3 C=CCCCCCSCC=CC 62a_100000070051_100000700193 [2,0,0,0,0,0|1,0,1]=4 4970 B11R0.3 C=CCCCCCSCC=CC 62a_100000700193_100000070051 [2,0,0,0,0,0|1,0,1]=4 4971 B11R0.3 C=CCCCCCSCCC=C 62a_100000700193_100000754431 [2,0,0,0,0,0|1,0,1]=4 4972 B11R0.3 C=CCCCCCSCCC=C 62a_100000754431_100000700193 [2,0,0,0,0,0|1,0,1]=4 4973 B11R0.3 C=CCCCCCSCCCC 62a_100000210211_100000700193 [2,0,0,0,0,0|1,0,1]=4 4974 B11R0.3 C=CCCCCCSCCCC 62a_100000700193_100000210210 [2,0,0,0,0,0|1,0,1]=4 4975 B11R0.3 C=CCCCCCSCCCO 62a_100000700193_100011215043 [2,0,0,0,0,0|1,0,1]=4 4976 B11R0.3 C=CCCCCCSCCCO 62a_100011215043_100000700193 [2,0,0,0,0,0|1,0,1]=4 4977 B11R0.3 C=CCCCCCSCCOC 62a_100000233755_100000700193 [2,0,0,0,0,0|1,0,0]=3 4978 B11R0.3 C=CCCCCCSCCOC 62a_100000700193_100000233755 [2,0,0,0,0,0|1,0,0]=3 4979 B11R0.3 C=CCCCCCSCCSC 62a_100000212216_100000700193 [2,0,0,0,0,0|1,1,0]=4 4980 B11R0.3 C=CCCCCCSCCSC 62a_100000700193_100000751147 [2,0,0,0,0,0|1,1,0]=4 4981 B11R0.3 C=CCCCCNCCCC=C 2230a_100000700776_100011215482 [2,0,0,0,0,0|1,0,1]=4 4982 B11R0.3 C=CCCCCNCCCC=C 2230a_100000703577_100011713584 [2,0,0,0,0,0|1,0,1]=4 4983 B11R0.3 C=CCCCCNCCCC=C 34a_100000700776_100011215482 [2,0,0,0,0,0|1,0,1]=4 4984 B11R0.3 C=CCCCCNCCCC=C 34a_100000703577_100000757094 [2,0,0,0,0,0|1,0,1]=4 4985 B11R0.3 C=CCCCCNCCCC=O 2230a_100000703577_200011292268 [2,0,0,0,0,0|1,0,0]=3 4986 B11R0.3 C=CCCCCNCCCCC 2230a_100000209983_100011215482 [2,0,0,0,0,0|1,0,1]=4 4987 B11R0.3 C=CCCCCNCCCCC 2230a_100000703577_100000210326 [2,0,0,0,0,0|1,0,1]=4 4988 B11R0.3 C=CCCCCNCCCCC 34a_100000703577_100000718602 [2,0,0,0,0,0|1,0,1]=4 4989 B11R0.3 C=CCCCCNCCCCO 2230a_100000703577_100000210776 [2,0,0,0,0,0|1,0,1]=4 4990 B11R0.3 C=CCCCCNCCCCO 2230a_100000750430_100011215482 [2,0,0,0,0,0|1,0,1]=4 4991 B11R0.3 C=CCCCCNCCCCO 34a_100000703577_100011216708 [2,0,0,0,0,0|1,0,1]=4 4992 B11R0.3 C=CCCCCNCCCCO 34a_100000750430_100011215482 [2,0,0,0,0,0|1,0,1]=4 4993 B11R0.3 C=CCCCCNCCCOC 2230a_100000703577_100000740836 [2,0,0,0,0,0|1,0,0]=3 4994 B11R0.3 C=CCCCCNCCCOC 34a_100000703577_100000740836 [2,0,0,0,0,0|1,0,0]=3 4995 B11R0.3 C=CCCCCNCCCOC 34a_100150723488_100011215482 [2,0,0,0,0,0|1,0,0]=3 4996 B11R0.3 C=CCCCCNCCCSC 2230a_100000749238_100011215482 [2,0,0,0,0,0|1,1,0]=4 4997 B11R0.3 C=CCCCCOCC/C=C/C 34a_100016278192_100011215482 [2,0,0,0,0,0|1,0,1]=4 4998 B11R0.3 C=CCCCCOCCCC=C 34a_100000758997_100011215482 [2,0,0,0,0,0|1,0,1]=4 4999 B11R0.3 C=CCCCCOCCCC=C 34a_100000766645_100000757094 [2,0,0,0,0,0|1,0,1]=4 5000 B11R0.3 C=CCCCCOCCCC=C 7a_100000758997_100011215482 [2,0,0,0,0,0|1,0,1]=4 5001 B11R0.3 C=CCCCCOCCCC=C 7a_100000766645_100000757094 [2,0,0,0,0,0|1,0,1]=4 5002 B11R0.3 C=CCCCCOCCCC=O 7a_100000766645_200011292268 [2,0,0,0,0,0|1,0,0]=3 5003 B11R0.3 C=CCCCCOCCCCC 34a_100000210253_100011215482 [2,0,0,0,0,0|1,0,1]=4 5004 B11R0.3 C=CCCCCOCCCCC 34a_100000766645_100000718602 [2,0,0,0,0,0|1,0,1]=4 5005 B11R0.3 C=CCCCCOCCCCC 7a_100000210253_100011215482 [2,0,0,0,0,0|1,0,1]=4 5006 B11R0.3 C=CCCCCOCCCCC 7a_100000766645_100000210326 [2,0,0,0,0,0|1,0,1]=4 5007 B11R0.3 C=CCCCCOCCCCO 34a_100000766645_100011216708 [2,0,0,0,0,0|1,0,1]=4 5008 B11R0.3 C=CCCCCOCCCCO 7a_100000766645_100000210776 [2,0,0,0,0,0|1,0,1]=4 5009 B11R0.3 C=CCCCCOCCCNC 34a_100000213112_100011215482 [2,0,0,0,0,0|2,0,0]=4 5010 B11R0.3 C=CCCCCOCCCOC 34a_100000740835_100011215482 [2,0,0,0,0,0|1,0,0]=3 5011 B11R0.3 C=CCCCCOCCCOC 34a_100000766645_100000740836 [2,0,0,0,0,0|1,0,0]=3 5012 B11R0.3 C=CCCCCOCCCOC 7a_100000766645_100000740836 [2,0,0,0,0,0|1,0,0]=3 5013 B11R0.3 C=CCCCCOCCCSC 34a_100000690336_100011215482 [2,0,0,0,0,0|1,1,0]=4 5014 B11R0.3 C=CCCCCOCCCSC 7a_100000690336_100011215482 [2,0,0,0,0,0|1,1,0]=4 5015 B11R0.3 C=CCCCCSCCCC=C 62a_100011215482_100000757094 [2,0,0,0,0,0|1,0,1]=4 5016 B11R0.3 C=CCCCCSCCCC=C 62a_100011713584_100011215482 [2,0,0,0,0,0|1,0,1]=4 5017 B11R0.3 C=CCCCCSCCCC=O 62a_100011215482_200011292268 [2,0,0,0,0,0|1,0,0]=3 5018 B11R0.3 C=CCCCCSCCCC=O 62a_200011292268_100011215482 [2,0,0,0,0,0|1,0,0]=3 5019 B11R0.3 C=CCCCCSCCCCC 62a_100000210326_100011215482 [2,0,0,0,0,0|1,0,1]=4 5020 B11R0.3 C=CCCCCSCCCCC 62a_100011215482_100000210326 [2,0,0,0,0,0|1,0,1]=4 5021 B11R0.3 C=CCCCCSCCCCO 62a_100000210776_100011215482 [2,0,0,0,0,0|1,0,1]=4 5022 B11R0.3 C=CCCCCSCCCCO 62a_100011215482_100000210776 [2,0,0,0,0,0|1,0,1]=4 5023 B11R0.3 C=CCCCCSCCCOC 62a_100000709357_100011215482 [2,0,0,0,0,0|1,0,0]=3 5024 B11R0.3 C=CCCCCSCCCOC 62a_100011215482_100000709357 [2,0,0,0,0,0|1,0,0]=3 5025 B11R0.3 C=CCCCNCCCCC=O 2230a_100000700776_100000139335 [2,0,0,0,0,0|1,0,0]=3 5026 B11R0.3 C=CCCCNCCCCCC 2230a_100000210581_100011713584 [2,0,0,0,0,0|1,0,1]=4 5027 B11R0.3 C=CCCCNCCCCCC 2230a_100000700776_100000210314 [2,0,0,0,0,0|1,0,1]=4 5028 B11R0.3 C=CCCCNCCCCCC 34a_100000700776_100000210314 [2,0,0,0,0,0|1,0,1]=4 5029 B11R0.3 C=CCCCNCCCCCO 2230a_100000700776_100000746330 [2,0,0,0,0,0|1,0,1]=4 5030 B11R0.3 C=CCCCNCCCCCO 2230a_100000762737_100011713584 [2,0,0,0,0,0|1,0,1]=4 5031 B11R0.3 C=CCCCNCCCCCO 34a_100000700776_100000746330 [2,0,0,0,0,0|1,0,1]=4 5032 B11R0.3 C=CCCCNCCCCCO 34a_100000762737_100000757094 [2,0,0,0,0,0|1,0,1]=4 5033 B11R0.3 C=CCCCNCCCCOC 2230a_100000700776_100000730899 [2,0,0,0,0,0|1,0,0]=3 5034 B11R0.3 C=CCCCNCCCCOC 34a_100000700776_100000755781 [2,0,0,0,0,0|1,0,0]=3 5035 B11R0.3 C=CCCCNCOCCOC 2230a_100000700776_100000231047 [2,0,0,0,0,0|2,0,0]=4 5036 B11R0.3 C=CCCCOCCCC=CC 34a_100020645299_100000757094 [2,0,0,0,0,0|1,0,1]=4 5037 B11R0.3 C=CCCCOCCCCC=O 7a_100000758997_100000139335 [2,0,0,0,0,0|1,0,0]=3 5038 B11R0.3 C=CCCCOCCCCCC 34a_100000210259_100000757094 [2,0,0,0,0,0|1,0,1]=4 5039 B11R0.3 C=CCCCOCCCCCC 34a_100000758997_100000210314 [2,0,0,0,0,0|1,0,1]=4 5040 B11R0.3 C=CCCCOCCCCCC 7a_100000210259_100000757094 [2,0,0,0,0,0|1,0,1]=4 5041 B11R0.3 C=CCCCOCCCCCC 7a_100000758997_100000210314 [2,0,0,0,0,0|1,0,1]=4 5042 B11R0.3 C=CCCCOCCCCCO 34a_100000758997_100000746330 [2,0,0,0,0,0|1,0,1]=4 5043 B11R0.3 C=CCCCOCCCCCO 7a_100000758997_100000746330 [2,0,0,0,0,0|1,0,1]=4 5044 B11R0.3 C=CCCCOCCCCOC 34a_100000740925_100000757094 [2,0,0,0,0,0|1,0,0]=3 5045 B11R0.3 C=CCCCOCCCCOC 34a_100000758997_100000755781 [2,0,0,0,0,0|1,0,0]=3 5046 B11R0.3 C=CCCCOCCCCOC 7a_100000758997_100000730899 [2,0,0,0,0,0|1,0,0]=3 5047 B11R0.3 C=CCCCOCCCCSC 34a_100011217163_100000757094 [2,0,0,0,0,0|1,1,0]=4 5048 B11R0.3 C=CCCCOCCCCSC 7a_100011217163_100000757094 [2,0,0,0,0,0|1,1,0]=4 5049 B11R0.3 C=CCCCSCCCCC=O 62a_100000139335_100000757094 [2,0,0,0,0,0|1,0,0]=3 5050 B11R0.3 C=CCCCSCCCCC=O 62a_100011713584_100000139335 [2,0,0,0,0,0|1,0,0]=3 5051 B11R0.3 C=CCCCSCCCCCC 62a_100000210314_100000757094 [2,0,0,0,0,0|1,0,1]=4 5052 B11R0.3 C=CCCCSCCCCCC 62a_100011713584_100000210757 [2,0,0,0,0,0|1,0,1]=4 5053 B11R0.3 C=CCCCSCCCCCO 62a_100000746330_100000757094 [2,0,0,0,0,0|1,0,1]=4 5054 B11R0.3 C=CCCCSCCCCCO 62a_100011713584_100000746330 [2,0,0,0,0,0|1,0,1]=4 5055 B11R0.3 C=CCCCSCCCCOC 62a_100000730899_100000757094 [2,0,0,0,0,0|1,0,0]=3 5056 B11R0.3 C=CCCCSCCCCOC 62a_100011713584_100000730899 [2,0,0,0,0,0|1,0,0]=3 5057 B11R0.3 C=CCCCSCOCCOC 62a_100000231047_100000757094 [2,0,0,0,0,0|2,0,0]=4 5058 B11R0.3 C=CCCCSCOCCOC 62a_100011713584_100000231047 [2,0,0,0,0,0|2,0,0]=4 5059 B11R0.3 C=CCCNCCCCCC=O 2230a_100015191253_100000139337 [2,0,0,0,0,0|1,0,0]=3 5060 B11R0.3 C=CCCNCCCCCCC 2230a_100000229938_100000754431 [2,0,0,0,0,0|1,0,1]=4 5061 B11R0.3 C=CCCNCCCCCCC 2230a_100015191253_100000210681 [2,0,0,0,0,0|1,0,1]=4 5062 B11R0.3 C=CCCNCCCCCCO 2230a_100000686447_100000754431 [2,0,0,0,0,0|1,0,1]=4 5063 B11R0.3 C=CCCNCCCCCCO 2230a_100015191253_100000766143 [2,0,0,0,0,0|1,0,1]=4 5064 B11R0.3 C=CCCNCCCCCCO 34a_100000686447_100000754431 [2,0,0,0,0,0|1,0,1]=4 5065 B11R0.3 C=CCCNCCCCCOC 2230a_100000747528_100000754431 [2,0,0,0,0,0|1,0,0]=3 5066 B11R0.3 C=CCCNCCCCCOC 34a_100000747528_100000754431 [2,0,0,0,0,0|1,0,0]=3 5067 B11R0.3 C=CCCNCCOCCOC 2230a_100000745349_100000754431 [2,0,0,0,0,0|2,0,0]=4 5068 B11R0.3 C=CCCNCCOCCOC 2230a_100015191253_100000695917 [2,0,0,0,0,0|2,0,0]=4 5069 B11R0.3 C=CCCNCCOCCOC 34a_100000745349_100000754431 [2,0,0,0,0,0|2,0,0]=4 5070 B11R0.3 C=CCCOCCCCCCC 34a_100000210272_100000754431 [2,0,0,0,0,0|1,0,1]=4 5071 B11R0.3 C=CCCOCCCCCCC 34a_100011205117_100000210614 [2,0,0,0,0,0|1,0,1]=4 5072 B11R0.3 C=CCCOCCCCCCC 7a_100000210272_100000754431 [2,0,0,0,0,0|1,0,1]=4 5073 B11R0.3 C=CCCOCCCCCCO 34a_100011205117_100000766143 [2,0,0,0,0,0|1,0,1]=4 5074 B11R0.3 C=CCCOCCCCCNC 34a_100000722520_100000754431 [2,0,0,0,0,0|2,0,0]=4 5075 B11R0.3 C=CCCOCCOCCOC 34a_100011205117_100000695917 [2,0,0,0,0,0|2,0,0]=4 5076 B11R0.3 C=CCCOCCOCCOC 34a_100011215163_100000754431 [2,0,0,0,0,0|2,0,0]=4 5077 B11R0.3 C=CCCOCCOCCOC 7a_100011215163_100000754431 [2,0,0,0,0,0|2,0,0]=4 5078 B11R0.3 C=CCCSCCCCCC=O 62a_100000139337_100000754431 [2,0,0,0,0,0|1,0,0]=3 5079 B11R0.3 C=CCCSCCCCCC=O 62a_100000754431_100000139337 [2,0,0,0,0,0|1,0,0]=3 5080 B11R0.3 C=CCCSCCCCCCC 62a_100000210614_100000754431 [2,0,0,0,0,0|1,0,1]=4 5081 B11R0.3 C=CCCSCCCCCCC 62a_100000754431_100000210316 [2,0,0,0,0,0|1,0,1]=4 5082 B11R0.3 C=CCCSCCCCCCO 62a_100000754431_100000766143 [2,0,0,0,0,0|1,0,1]=4 5083 B11R0.3 C=CCCSCCCCCCO 62a_100000766143_100000754431 [2,0,0,0,0,0|1,0,1]=4 5084 B11R0.3 C=CCCSCCOCCOC 62a_100000695917_100000754431 [2,0,0,0,0,0|2,0,0]=4 5085 B11R0.3 C=CCCSCCOCCOC 62a_100000754431_100000695917 [2,0,0,0,0,0|2,0,0]=4 5086 B11R0.3 C=CCNCCCCCCCC 2230a_100000229939_100000210623 [2,0,0,0,0,0|1,0,1]=4 5087 B11R0.3 C=CCNCCCCCCCC 2230a_100020586998_100000210759 [2,0,0,0,0,0|1,0,1]=4 5088 B11R0.3 C=CCNCCCCCCCC 34a_100000229939_100015514636 [2,0,0,0,0,0|1,0,1]=4 5089 B11R0.3 C=CCNCCCCCCCO 2230a_100011996573_100000210623 [2,0,0,0,0,0|1,0,1]=4 5090 B11R0.3 C=CCNCCCCCCCO 2230a_100020586998_100000760002 [2,0,0,0,0,0|1,0,1]=4 5091 B11R0.3 C=CCNCCCCCCCO 34a_100011996573_100015514636 [2,0,0,0,0,0|1,0,1]=4 5092 B11R0.3 C=CCNCCCCCCOC 2230a_100020586998_100011998445 [2,0,0,0,0,0|1,0,0]=3 5093 B11R0.3 C=CCNCCCOCCOC 2230a_100000206027_100000210623 [2,0,0,0,0,0|2,0,0]=4 5094 B11R0.3 C=CCNCCCOCCOC 2230a_100020586998_100011216529 [2,0,0,0,0,0|2,0,0]=4 5095 B11R0.3 C=CCNCCCOCCOC 34a_100000206027_100015514636 [2,0,0,0,0,0|2,0,0]=4 5096 B11R0.3 C=CCOCCCCCCCC 34a_100000210232_100015514636 [2,0,0,0,0,0|1,0,1]=4 5097 B11R0.3 C=CCOCCCCCCCC 34a_200000210373_100000210759 [2,0,0,0,0,0|1,0,1]=4 5098 B11R0.3 C=CCOCCCCCCCC 7a_100000210232_100015514636 [2,0,0,0,0,0|1,0,1]=4 5099 B11R0.3 C=CCOCCCCCCCO 34a_200000210373_100000760002 [2,0,0,0,0,0|1,0,1]=4 5100 B11R0.3 C=CCOCCCCCCOC 34a_200000210373_100011998445 [2,0,0,0,0,0|1,0,0]=3 5101 B11R0.3 C=CCOCCCCCCOC 34a_200012092642_100015514636 [2,0,0,0,0,0|1,0,0]=3 5102 B11R0.3 C=CCOCCCCCCOC 7a_200012092642_100015514636 [2,0,0,0,0,0|1,0,0]=3 5103 B11R0.3 C=CCOCCCOCCOC 34a_200000210373_100011216529 [2,0,0,0,0,0|2,0,0]=4 5104 B11R0.3 C=CCOCCOCCCC=O 7a_100000037705_200011292268 [2,0,0,0,0,0|2,0,0]=4 5105 B11R0.3 C=CCOCCOCCCOC 34a_100000037705_100000740836 [2,0,0,0,0,0|2,0,0]=4 5106 B11R0.3 C=CCOCCOCCCOC 7a_100000037705_100000740836 [2,0,0,0,0,0|2,0,0]=4 5107 B11R0.3 C=CCSCCCCCCCC 62a_100000210623_100000210317 [2,0,0,0,0,0|1,0,1]=4 5108 B11R0.3 C=CCSCCCCCCCC 62a_100000210759_100000210623 [2,0,0,0,0,0|1,0,1]=4 5109 B11R0.3 C=CCSCCCCCCCO 62a_100000210623_100000760002 [2,0,0,0,0,0|1,0,1]=4 5110 B11R0.3 C=CCSCCCCCCCO 62a_100000760002_100000210623 [2,0,0,0,0,0|1,0,1]=4 5111 B11R0.3 C=CCSCCCCCCOC 62a_100000210623_100011998445 [2,0,0,0,0,0|1,0,0]=3 5112 B11R0.3 C=CCSCCCCCCOC 62a_100011998445_100000210623 [2,0,0,0,0,0|1,0,0]=3 5113 B11R0.3 C=CCSCCCOCCOC 62a_100000210623_100011216529 [2,0,0,0,0,0|2,0,0]=4 5114 B11R0.3 C=CCSCCCOCCOC 62a_100011216529_100000210623 [2,0,0,0,0,0|2,0,0]=4 5115 B11R0.3 C=COCCCCOCCOC 34a_100000031558_100011201679 [2,0,0,0,0,0|2,0,0]=4 5116 B11R0.3 C=COCCCCOCCOC 7a_100000031558_100000233755 [2,0,0,0,0,0|2,0,0]=4 5117 B11R0.3 C=COCCCNCCCC=O 2230a_100000210767_200011292268 [2,0,0,0,0,0|2,0,0]=4 5118 B11R0.3 C=COCCCNCCCOC 2230a_100000210767_100000740836 [2,0,0,0,0,0|2,0,0]=4 5119 B11R0.3 C=COCCCNCCCOC 34a_100000210767_100000740836 [2,0,0,0,0,0|2,0,0]=4 5120 B11R0.3 C=COCCOCCCCOC 34a_100000033082_100000755781 [2,0,0,0,0,0|2,0,0]=4 5121 B11R0.3 C=COCCOCCCCOC 34a_100000740925_100000039644 [2,0,0,0,0,0|2,0,0]=4 5122 B11R0.3 C=COCCSCCCCC=O 62a_100000039644_100000139335 [2,0,0,0,0,0|2,0,0]=4 5123 B11R0.3 C=COCCSCCCCC=O 62a_100000139335_100000039644 [2,0,0,0,0,0|2,0,0]=4 5124 B11R0.3 C=COCCSCCCCOC 62a_100000039644_100000730899 [2,0,0,0,0,0|2,0,0]=4 5125 B11R0.3 C=COCCSCCCCOC 62a_100000730899_100000039644 [2,0,0,0,0,0|2,0,0]=4 5126 B11R0.3 CCCCCCCCCCOC 34a_100000210711_200000210301 [2,0,0,0,0,0|0,0,2]=4 5127 B11R0.3 CCCCCCCCCCOC 34a_100138415774_100000210320 [2,0,0,0,0,0|0,0,2]=4 5128 B11R0.3 CCCCCCCCCCOC 7a_100000210711_200000210301 [2,0,0,0,0,0|0,0,2]=4 5129 B11R0.3 CCCCCCCCCCO[13CH3] 34a_100000210711_200025704644 [2,0,0,0,0,0|0,0,2]=4 5130 B11R0.3 CCCCCCCCCCO[13CH3] 7a_100000210711_200025704644 [2,0,0,0,0,0|0,0,2]=4 5131 B11R0.3 COCCCCCCCCCBr 34a_100009813782_200000210301 [2,0,0,0,0,0|1,0,1]=4 5132 B11R0.3 COCCCCCCCCCBr 7a_100009813782_200000210301 [2,0,0,0,0,0|1,0,1]=4 5133 B11R0.3 COCCCCCCCCCCl 34a_100009868337_200000210301 [2,0,0,0,0,0|1,0,1]=4 5134 B11R0.3 COCCCCCCCCCCl 7a_100009868337_200000210301 [2,0,0,0,0,0|1,0,1]=4 5135 B11R0.3 COCCCCCCCCCN 34a_100000078944_200000210301 [2,0,0,0,0,0|1,0,1]=4 5136 B11R0.3 COCCCCCCCCCO 34a_100138415774_100009813782 [2,0,0,0,0,0|1,0,1]=4 5137 B11R0.3 COCCCCCCOCC=O 34a_200012092642_200009817547 [2,0,0,0,0,0|2,0,0]=4 5138 B11R0.3 COCCCCCCOCC=O 7a_200012092642_200015260668 [2,0,0,0,0,0|2,0,0]=4 5139 B11R0.3 COCCCCCCSCC=O 62a_100011998445_200015260668 [2,0,0,0,0,0|2,0,0]=4 5140 B11R0.3 COCCCCCCSCC=O 62a_200015260668_100011998445 [2,0,0,0,0,0|2,0,0]=4 5141 B11R0.3 COCCCCSCCCC=O 62a_100000730899_200011292268 [2,0,0,0,0,0|2,0,0]=4 5142 B11R0.3 COCCCCSCCCC=O 62a_200011292268_100000730899 [2,0,0,0,0,0|2,0,0]=4 5143 B11R0.3 COCCCSCCCCC=O 62a_100000139335_100000709357 [2,0,0,0,0,0|2,0,0]=4 5144 B11R0.3 COCCCSCCCCC=O 62a_100000709357_100000139335 [2,0,0,0,0,0|2,0,0]=4 5145 B11R0.3 COCCNCCCCCC=O 2230a_100000209980_100000139337 [2,0,0,0,0,0|2,0,0]=4 5146 B11R0.3 COCCSCCCCCC=O 62a_100000139337_100000233755 [2,0,0,0,0,0|2,0,0]=4 5147 B11R0.3 COCCSCCCCCC=O 62a_100000233755_100000139337 [2,0,0,0,0,0|2,0,0]=4 5148 B11R0.3 O=CCCCCSCCCC=O 62a_100000139335_200011292268 [2,0,0,0,0,0|2,0,0]=4 5149 B11R0.3 O=CCCCCSCCCC=O 62a_200011292268_100000139335 [2,0,0,0,0,0|2,0,0]=4 5150 B11R0.3 [13CH3]OCCCCCCCCCBr 34a_100009813782_200025704644 [2,0,0,0,0,0|1,0,1]=4 5151 B11R0.3 [13CH3]OCCCCCCCCCBr 7a_100009813782_200025704644 [2,0,0,0,0,0|1,0,1]=4 5152 B11R0.3 [13CH3]OCCCCCCCCCCl 34a_100009868337_200025704644 [2,0,0,0,0,0|1,0,1]=4 5153 B11R0.3 [13CH3]OCCCCCCCCCCl 7a_100009868337_200025704644 [2,0,0,0,0,0|1,0,1]=4 5154 B11R0.3 [13CH3]OCCCCCCCCCN 34a_100000078944_200025704644 [2,0,0,0,0,0|1,0,1]=4 5155 B11R0.148 C#CCCCCCCCC(=O)C 1458a_100000070787_100153394163 [2,0,0,0,0,0|0,0,2]=4 5156 B11R0.148 C#CCCCCCCCC(=O)C 1458a_100000087357_200000210301 [2,0,0,0,0,0|0,0,2]=4 5157 B11R0.148 C#CCCCCCCCC(=O)[13CH3] 1458a_100000087357_200025704644 [2,0,0,0,0,0|0,0,2]=4 5158 B11R0.148 C=CCCCCCCCC(=O)C 1458a_100000070787_100012355270 [2,0,0,0,0,0|0,0,0]=2 5159 B11R0.148 C=CCCCCCCCC(=O)C 1458a_100011216160_200000210301 [2,0,0,0,0,0|0,0,0]=2 5160 B11R0.148 C=CCCCCCCCC(=O)[13CH3] 1458a_100011216160_200025704644 [2,0,0,0,0,0|0,0,0]=2 5161 B11R0.148 C=CCCCCCCCN(C)C 2230a_100102631434_100012355270 [2,0,0,0,0,0|2,0,0]=4 5162 B11R0.148 C=CCCCCCCCN(C)C 269982a_100102631434_100012355270 [2,0,0,0,0,0|2,0,0]=4 5163 B11R0.148 C=CCCCCCNCC(=O)N 2230a_100000711301_100000700193 [2,0,0,0,0,0|2,0,0]=4 5164 B11R0.148 C=CCCCCCNCC(=O)O 269956a_100016091260_100000700193 [2,0,0,0,0,0|1,0,0]=3 5165 B11R0.148 C=CCCCCCOCC(=C)C 34a_100000210245_100000700193 [2,0,0,0,0,0|2,0,0]=4 5166 B11R0.148 C=CCCCCCOCC(=C)C 34a_100011216702_100000748629 [2,0,0,0,0,0|2,0,0]=4 5167 B11R0.148 C=CCCCCCOCC(=C)C 7a_100011216702_100000748629 [2,0,0,0,0,0|2,0,0]=4 5168 B11R0.148 C=CCCCCCOCC(=O)C 34a_100000211253_100000700193 [2,0,0,0,0,0|1,0,0]=3 5169 B11R0.148 C=CCCCCCOCC(=O)N 34a_100011216702_100000187820 [2,0,0,0,0,0|2,0,0]=4 5170 B11R0.148 C=CCCCCCOCC(=O)N 7a_100011216702_100000187820 [2,0,0,0,0,0|2,0,0]=4 5171 B11R0.148 C=CCCCCCOCC(=O)[O-] 34a_100011216702_100020667443 [2,0,0,0,0,0|1,0,1]=4 5172 B11R0.148 C=CCCCCCSCC(=C)C 62a_100000700193_100000211660 [2,0,0,0,0,0|2,0,0]=4 5173 B11R0.148 C=CCCCCCSCC(=C)C 62a_100000748629_100000700193 [2,0,0,0,0,0|2,0,0]=4 5174 B11R0.148 C=CCCCCCSCC(=O)N 62a_100000700193_100000747473 [2,0,0,0,0,0|2,0,0]=4 5175 B11R0.148 C=CCCCCCSCC(=O)N 62a_100000747473_100000700193 [2,0,0,0,0,0|2,0,0]=4 5176 B11R0.148 C=CCCCCCSCC(=O)[O-] 62a_100000700193_100020667443 [2,0,0,0,0,0|1,0,1]=4 5177 B11R0.148 C=CCCCCCSCC(=O)[O-] 62a_100020667443_100000700193 [2,0,0,0,0,0|1,0,1]=4 5178 B11R0.148 C=CCCCCNCCC(=C)C 2230a_100000703577_100000730704 [2,0,0,0,0,0|2,0,0]=4 5179 B11R0.148 C=CCCCCNCCC(=C)C 34a_100000703577_100000730704 [2,0,0,0,0,0|2,0,0]=4 5180 B11R0.148 C=CCCCCNCCC(=O)N 2230a_100000703577_100000744528 [2,0,0,0,0,0|2,0,0]=4 5181 B11R0.148 C=CCCCCNCCC(=O)N 34a_100000703577_100000731001 [2,0,0,0,0,0|2,0,0]=4 5182 B11R0.148 C=CCCCCNCOC(=O)C 34a_100000703577_100009813279 [2,0,0,0,0,0|2,0,0]=4 5183 B11R0.148 C=CCCCCNOCC(=O)O 269956a_100000106656_100011215482 [2,0,0,0,0,0|2,0,0]=4 5184 B11R0.148 C=CCCCCOCCC(=C)C 34a_100000764851_100011215482 [2,0,0,0,0,0|2,0,0]=4 5185 B11R0.148 C=CCCCCOCCC(=C)C 34a_100000766645_100000730704 [2,0,0,0,0,0|2,0,0]=4 5186 B11R0.148 C=CCCCCOCCC(=C)C 7a_100000766645_100000730704 [2,0,0,0,0,0|2,0,0]=4 5187 B11R0.148 C=CCCCCOCCC(=O)C 34a_100000759926_100011215482 [2,0,0,0,0,0|1,0,0]=3 5188 B11R0.148 C=CCCCCOCCC(=O)C 7a_100000759926_100011215482 [2,0,0,0,0,0|1,0,0]=3 5189 B11R0.148 C=CCCCCOCCC(=O)C 7a_100000766645_100000053229 [2,0,0,0,0,0|1,0,0]=3 5190 B11R0.148 C=CCCCCOCCC(=O)N 34a_100000757172_100011215482 [2,0,0,0,0,0|2,0,0]=4 5191 B11R0.148 C=CCCCCOCCC(=O)N 34a_100000766645_100000731001 [2,0,0,0,0,0|2,0,0]=4 5192 B11R0.148 C=CCCCCOCCC(=O)N 7a_100000757172_100011215482 [2,0,0,0,0,0|2,0,0]=4 5193 B11R0.148 C=CCCCCOCCC(=O)N 7a_100000766645_100000744528 [2,0,0,0,0,0|2,0,0]=4 5194 B11R0.148 C=CCCCCOCOC(=O)C 34a_100000766645_100009813279 [2,0,0,0,0,0|2,0,0]=4 5195 B11R0.148 C=CCCCCSCCC(=C)C 62a_100000730704_100011215482 [2,0,0,0,0,0|2,0,0]=4 5196 B11R0.148 C=CCCCCSCCC(=C)C 62a_100011215482_100000730704 [2,0,0,0,0,0|2,0,0]=4 5197 B11R0.148 C=CCCCCSCCC(=O)C 62a_100000053229_100011215482 [2,0,0,0,0,0|1,0,0]=3 5198 B11R0.148 C=CCCCCSCCC(=O)C 62a_100011215482_100000053229 [2,0,0,0,0,0|1,0,0]=3 5199 B11R0.148 C=CCCCCSCCC(=O)N 62a_100000744528_100011215482 [2,0,0,0,0,0|2,0,0]=4 5200 B11R0.148 C=CCCCCSCCC(=O)N 62a_100011215482_100000744528 [2,0,0,0,0,0|2,0,0]=4 5201 B11R0.148 C=CCCCCSCOC(=O)C 62a_100000076356_100011215482 [2,0,0,0,0,0|2,0,0]=4 5202 B11R0.148 C=CCCCCSCOC(=O)C 62a_100011215482_100000076356 [2,0,0,0,0,0|2,0,0]=4 5203 B11R0.148 C=CCCCNCCCC(=O)C 34a_100000700776_100000685027 [2,0,0,0,0,0|1,0,0]=3 5204 B11R0.148 C=CCCCNCCCC(=O)N 34a_100000700776_100102525003 [2,0,0,0,0,0|2,0,0]=4 5205 B11R0.148 C=CCCCNCCCC(=O)N 34a_100000739312_100000757094 [2,0,0,0,0,0|2,0,0]=4 5206 B11R0.148 C=CCCCNCCCS(=O)C 2230a_200000753449_100011713584 [2,0,0,0,0,0|2,0,0]=4 5207 B11R0.148 C=CCCCNCCNC(=O)C 2230a_100000209853_100011713584 [2,0,0,0,0,0|2,0,0]=4 5208 B11R0.148 C=CCCCNCCNC(=O)C 2230a_100000700776_100000189650 [2,0,0,0,0,0|2,0,0]=4 5209 B11R0.148 C=CCCCNCCOC(=O)C 34a_100000700776_100009814007 [2,0,0,0,0,0|2,0,0]=4 5210 B11R0.148 C=CCCCOCCCC(=O)C 34a_100000758997_100000685027 [2,0,0,0,0,0|1,0,0]=3 5211 B11R0.148 C=CCCCOCCCC(=O)C 34a_100000759063_100000757094 [2,0,0,0,0,0|1,0,0]=3 5212 B11R0.148 C=CCCCOCCCC(=O)C 7a_100000758997_100011215641 [2,0,0,0,0,0|1,0,0]=3 5213 B11R0.148 C=CCCCOCCCC(=O)C 7a_100000759063_100000757094 [2,0,0,0,0,0|1,0,0]=3 5214 B11R0.148 C=CCCCOCCCC(=O)N 34a_100000758997_100102525003 [2,0,0,0,0,0|2,0,0]=4 5215 B11R0.148 C=CCCCOCCCC(=O)N 7a_100000758997_100102525003 [2,0,0,0,0,0|2,0,0]=4 5216 B11R0.148 C=CCCCOCCNC(=O)C 34a_100000158858_100000757094 [2,0,0,0,0,0|2,0,0]=4 5217 B11R0.148 C=CCCCOCCNC(=O)C 7a_100000758997_100000189650 [2,0,0,0,0,0|2,0,0]=4 5218 B11R0.148 C=CCCCOCCOC(=O)C 34a_100000758997_100009814007 [2,0,0,0,0,0|2,0,0]=4 5219 B11R0.148 C=CCCCOCCOC(=O)C 7a_100000758997_100009814007 [2,0,0,0,0,0|2,0,0]=4 5220 B11R0.148 C=CCCCSCCCC(=O)C 62a_100011215641_100000757094 [2,0,0,0,0,0|1,0,0]=3 5221 B11R0.148 C=CCCCSCCCC(=O)C 62a_100011713584_100011215641 [2,0,0,0,0,0|1,0,0]=3 5222 B11R0.148 C=CCCCSCCCC(=O)N 62a_100011713584_100102525003 [2,0,0,0,0,0|2,0,0]=4 5223 B11R0.148 C=CCCCSCCCC(=O)N 62a_100102525003_100000757094 [2,0,0,0,0,0|2,0,0]=4 5224 B11R0.148 C=CCCCSCCNC(=O)C 62a_100000189650_100000757094 [2,0,0,0,0,0|2,0,0]=4 5225 B11R0.148 C=CCCCSCCNC(=O)C 62a_100011713584_100000189650 [2,0,0,0,0,0|2,0,0]=4 5226 B11R0.148 C=CCCCSCCOC(=O)C 62a_100009814007_100000757094 [2,0,0,0,0,0|2,0,0]=4 5227 B11R0.148 C=CCCCSCCOC(=O)C 62a_100011713584_100009814007 [2,0,0,0,0,0|2,0,0]=4 5228 B11R0.148 C=CCCNCCCCC(=O)N 34a_100000696515_100000754431 [2,0,0,0,0,0|2,0,0]=4 5229 B11R0.148 C=CCCNCCCNC(=O)C 34a_100000736810_100000754431 [2,0,0,0,0,0|2,0,0]=4 5230 B11R0.148 C=CCCNCCCSC(=O)C 2230a_100015191253_100000038929 [2,0,0,0,0,0|2,0,0]=4 5231 B11R0.148 C=CCCNCCOCC(=O)O 269956a_100000700818_100000754431 [2,0,0,0,0,0|2,0,0]=4 5232 B11R0.148 C=CCCOCCCCC(=O)C 34a_100011205117_100009817362 [2,0,0,0,0,0|1,0,0]=3 5233 B11R0.148 C=CCCOCCCCC(=O)N 34a_100012022536_100000754431 [2,0,0,0,0,0|2,0,0]=4 5234 B11R0.148 C=CCCOCCCCC(=O)N 7a_100012022536_100000754431 [2,0,0,0,0,0|2,0,0]=4 5235 B11R0.148 C=CCCOCCCNC(=O)C 34a_100000752032_100000754431 [2,0,0,0,0,0|2,0,0]=4 5236 B11R0.148 C=CCCOCCCOC(=O)C 34a_100011205117_100000042594 [2,0,0,0,0,0|2,0,0]=4 5237 B11R0.148 C=CCCOCCCSC(=O)C 34a_100011205117_100000038929 [2,0,0,0,0,0|2,0,0]=4 5238 B11R0.148 C=CCCSCCCCC(=O)C 62a_100000735457_100000754431 [2,0,0,0,0,0|1,0,0]=3 5239 B11R0.148 C=CCCSCCCCC(=O)C 62a_100000754431_100000735457 [2,0,0,0,0,0|1,0,0]=3 5240 B11R0.148 C=CCCSCCCOC(=O)C 62a_100000042594_100000754431 [2,0,0,0,0,0|2,0,0]=4 5241 B11R0.148 C=CCCSCCCOC(=O)C 62a_100000754431_100000042594 [2,0,0,0,0,0|2,0,0]=4 5242 B11R0.148 C=CCCSCCCSC(=O)C 62a_100000038929_100000754431 [2,0,0,0,0,0|2,0,0]=4 5243 B11R0.148 C=CCCSCCCSC(=O)C 62a_100000754431_100000038929 [2,0,0,0,0,0|2,0,0]=4 5244 B11R0.148 C=CCNCCCCCC(=O)N 2230a_100020586998_100009817443 [2,0,0,0,0,0|2,0,0]=4 5245 B11R0.148 C=CCNCCCCNC(=O)C 2230a_200011368371_100000210623 [2,0,0,0,0,0|2,0,0]=4 5246 B11R0.148 C=CCNCCCCNC(=O)C 34a_200011368371_100015514636 [2,0,0,0,0,0|2,0,0]=4 5247 B11R0.148 C=CCNCCCCSC(=O)C 2230a_100020586998_200010402107 [2,0,0,0,0,0|2,0,0]=4 5248 B11R0.148 C=CCOCCCCCC(=O)N 34a_100000123541_100015514636 [2,0,0,0,0,0|2,0,0]=4 5249 B11R0.148 C=CCOCCCCCC(=O)N 34a_200000210373_100009817443 [2,0,0,0,0,0|2,0,0]=4 5250 B11R0.148 C=CCOCCCCCC(=O)N 7a_100000123541_100015514636 [2,0,0,0,0,0|2,0,0]=4 5251 B11R0.148 C=CCOCCCCCC(=O)[O-] 7a_100102619762_100015514636 [2,0,0,0,0,0|1,0,1]=4 5252 B11R0.148 C=CCOCCCCOC(=O)C 34a_100000073216_100015514636 [2,0,0,0,0,0|2,0,0]=4 5253 B11R0.148 C=CCOCCCCOC(=O)C 34a_200000210373_100000033659 [2,0,0,0,0,0|2,0,0]=4 5254 B11R0.148 C=CCOCCCCOC(=O)C 7a_100000073216_100015514636 [2,0,0,0,0,0|2,0,0]=4 5255 B11R0.148 C=CCOCCCCSC(=O)C 34a_200000210373_200010402107 [2,0,0,0,0,0|2,0,0]=4 5256 B11R0.148 C=CCOCCOCCC(=O)C 7a_100000037705_100000053229 [2,0,0,0,0,0|2,0,0]=4 5257 B11R0.148 C=CCSCCCCCC(=O)N 62a_100000210623_100009817443 [2,0,0,0,0,0|2,0,0]=4 5258 B11R0.148 C=CCSCCCCCC(=O)N 62a_100009817443_100000210623 [2,0,0,0,0,0|2,0,0]=4 5259 B11R0.148 C=CCSCCCCOC(=O)C 62a_100000033659_100000210623 [2,0,0,0,0,0|2,0,0]=4 5260 B11R0.148 C=CCSCCCCOC(=O)C 62a_100000210623_100000033659 [2,0,0,0,0,0|2,0,0]=4 5261 B11R0.148 C=CCSCCCCSC(=O)C 62a_100000210623_200010402107 [2,0,0,0,0,0|2,0,0]=4 5262 B11R0.148 C=CCSCCCCSC(=O)C 62a_200010402107_100000210623 [2,0,0,0,0,0|2,0,0]=4 5263 B11R0.148 C=COCCOCCCC(=O)C 34a_100000033082_100000685027 [2,0,0,0,0,0|2,0,0]=4 5264 B11R0.148 C=COCCOCCCC(=O)C 34a_100000759063_100000039644 [2,0,0,0,0,0|2,0,0]=4 5265 B11R0.148 C=COCCOCCCC(=O)C 7a_100000759063_100000039644 [2,0,0,0,0,0|2,0,0]=4 5266 B11R0.148 C=COCCSCCCC(=O)C 62a_100000039644_100011215641 [2,0,0,0,0,0|2,0,0]=4 5267 B11R0.148 C=COCCSCCCC(=O)C 62a_100011215641_100000039644 [2,0,0,0,0,0|2,0,0]=4 5268 B11R0.148 CC(=O)CCCCCCCCO 1458a_100000070787_100000033203 [2,0,0,0,0,0|1,0,0]=3 5269 B11R0.148 CC(=O)CCCCNCCCF 34a_100015189416_100009817362 [2,0,0,0,0,0|2,0,0]=4 5270 B11R0.148 CC(=O)CCCCOCCCBr 34a_100011217188_100009817362 [2,0,0,0,0,0|2,0,0]=4 5271 B11R0.148 CC(=O)CCCCOCCCCl 34a_100000230001_100009817362 [2,0,0,0,0,0|2,0,0]=4 5272 B11R0.148 CC(=O)CCCCOCCCF 34a_100000759539_100009817362 [2,0,0,0,0,0|2,0,0]=4 5273 B11R0.148 CC(=O)CCCCOCCCN 34a_100000182051_100009817362 [2,0,0,0,0,0|2,0,0]=4 5274 B11R0.148 CC(=O)CCCCSCCCF 62a_100000735457_100011934791 [2,0,0,0,0,0|2,0,0]=4 5275 B11R0.148 CC(=O)CCCCSCCCF 62a_100011934791_100000735457 [2,0,0,0,0,0|2,0,0]=4 5276 B11R0.148 CC(=O)CCCCSCCCO 62a_100000735457_100011215043 [2,0,0,0,0,0|2,0,0]=4 5277 B11R0.148 CC(=O)CCCCSCCCO 62a_100011215043_100000735457 [2,0,0,0,0,0|2,0,0]=4 5278 B11R0.148 CC(=O)CCCNCCCCO 34a_100000750430_100000685027 [2,0,0,0,0,0|2,0,0]=4 5279 B11R0.148 CC(=O)CCCOCCCC=O 7a_100000759063_200011292268 [2,0,0,0,0,0|2,0,0]=4 5280 B11R0.148 CC(=O)CCCOCCCCBr 34a_100011216708_100000685027 [2,0,0,0,0,0|2,0,0]=4 5281 B11R0.148 CC(=O)CCCOCCCCCl 34a_100000210776_100000685027 [2,0,0,0,0,0|2,0,0]=4 5282 B11R0.148 CC(=O)CCCOCCCCCl 7a_100000210776_100011215641 [2,0,0,0,0,0|2,0,0]=4 5283 B11R0.148 CC(=O)CCCOCCCCF 34a_100000759063_100000729493 [2,0,0,0,0,0|2,0,0]=4 5284 B11R0.148 CC(=O)CCCOCCCCF 34a_100011995726_100000685027 [2,0,0,0,0,0|2,0,0]=4 5285 B11R0.148 CC(=O)CCCOCCCCF 7a_100000759063_100000729493 [2,0,0,0,0,0|2,0,0]=4 5286 B11R0.148 CC(=O)CCCOCCCCF 7a_100011995726_100011215641 [2,0,0,0,0,0|2,0,0]=4 5287 B11R0.148 CC(=O)CCCOCCCCI 34a_200012148704_100000685027 [2,0,0,0,0,0|2,0,0]=4 5288 B11R0.148 CC(=O)CCCOCCCCN 34a_100000750430_100000685027 [2,0,0,0,0,0|2,0,0]=4 5289 B11R0.148 CC(=O)CCCOCCCCO 34a_100000759063_100011216708 [2,0,0,0,0,0|2,0,0]=4 5290 B11R0.148 CC(=O)CCCOCCCCO 7a_100000759063_100000210776 [2,0,0,0,0,0|2,0,0]=4 5291 B11R0.148 CC(=O)CCCSCCCC=O 62a_100011215641_200011292268 [2,0,0,0,0,0|2,0,0]=4 5292 B11R0.148 CC(=O)CCCSCCCC=O 62a_200011292268_100011215641 [2,0,0,0,0,0|2,0,0]=4 5293 B11R0.148 CC(=O)CCCSCCCCF 62a_100000729493_100011215641 [2,0,0,0,0,0|2,0,0]=4 5294 B11R0.148 CC(=O)CCCSCCCCF 62a_100011215641_100000729493 [2,0,0,0,0,0|2,0,0]=4 5295 B11R0.148 CC(=O)CCCSCCCCO 62a_100000210776_100011215641 [2,0,0,0,0,0|2,0,0]=4 5296 B11R0.148 CC(=O)CCCSCCCCO 62a_100011215641_100000210776 [2,0,0,0,0,0|2,0,0]=4 5297 B11R0.148 CC(=O)CCOCCCCC=O 7a_100000759926_100000139335 [2,0,0,0,0,0|2,0,0]=4 5298 B11R0.148 CC(=O)CCOCCCCCBr 7a_100000746331_100000053229 [2,0,0,0,0,0|2,0,0]=4 5299 B11R0.148 CC(=O)CCOCCCCCCl 7a_100000746330_100000053229 [2,0,0,0,0,0|2,0,0]=4 5300 B11R0.148 CC(=O)CCOCCCCCF 34a_100000759926_100000729378 [2,0,0,0,0,0|2,0,0]=4 5301 B11R0.148 CC(=O)CCOCCCCCF 7a_100000759926_100000729378 [2,0,0,0,0,0|2,0,0]=4 5302 B11R0.148 CC(=O)CCOCCCCCI 7a_200012148887_100000053229 [2,0,0,0,0,0|2,0,0]=4 5303 B11R0.148 CC(=O)CCOCCCCCO 34a_100000759926_100000746330 [2,0,0,0,0,0|2,0,0]=4 5304 B11R0.148 CC(=O)CCOCCCCCO 7a_100000759926_100000746330 [2,0,0,0,0,0|2,0,0]=4 5305 B11R0.148 CC(=O)CCSCCCCC=O 62a_100000053229_100000139335 [2,0,0,0,0,0|2,0,0]=4 5306 B11R0.148 CC(=O)CCSCCCCC=O 62a_100000139335_100000053229 [2,0,0,0,0,0|2,0,0]=4 5307 B11R0.148 CC(=O)CCSCCCCCF 62a_100000053229_100000729378 [2,0,0,0,0,0|2,0,0]=4 5308 B11R0.148 CC(=O)CCSCCCCCF 62a_100000729378_100000053229 [2,0,0,0,0,0|2,0,0]=4 5309 B11R0.148 CC(=O)CCSCCCCCO 62a_100000053229_100000746330 [2,0,0,0,0,0|2,0,0]=4 5310 B11R0.148 CC(=O)CCSCCCCCO 62a_100000746330_100000053229 [2,0,0,0,0,0|2,0,0]=4 5311 B11R0.148 CC(=O)COCCCCCCF 34a_100000211253_100015922095 [2,0,0,0,0,0|2,0,0]=4 5312 B11R0.148 CC(=O)COCCCCCCO 34a_100000211253_100000766143 [2,0,0,0,0,0|2,0,0]=4 5313 B11R0.148 CC(=O)NCCCCCCCO 240690a_100011996573_100015343762 [2,0,0,0,0,0|2,0,0]=4 5314 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000070787_100000210670 [2,0,0,0,0,0|0,0,1]=3 5315 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000210558_200000210301 [2,0,0,0,0,0|0,0,1]=3 5316 B11R0.148 CCCCCCCCCC(=O)[13CH3] 1458a_100000210558_200025704644 [2,0,0,0,0,0|0,0,1]=3 5317 B11R0.148 CCCCCCCCNC(=O)C 11a_100000229939_100015343762 [2,0,0,0,0,0|1,0,1]=4 5318 B11R0.148 CCCCCCCCNC(=O)C 1626a_100000229939_100015343762 [2,0,0,0,0,0|1,0,1]=4 5319 B11R0.148 CCCCCCCCNC(=O)C 240690a_100000229939_100015343762 [2,0,0,0,0,0|1,0,1]=4 5320 B11R0.148 CCCCCCCCNC(=O)C 527a_100000229939_100103153847 [2,0,0,0,0,0|1,0,1]=4 5321 B11R0.148 CCCCCCCNCC(=O)O 269956a_100016091260_100000210614 [2,0,0,0,0,0|1,0,1]=4 5322 B11R0.148 CCCCCCCOCC(=O)C 34a_100000211253_100000210614 [2,0,0,0,0,0|1,0,1]=4 5323 B11R0.148 CCCCCCOCCC(=O)C 34a_100000759926_100000210314 [2,0,0,0,0,0|1,0,1]=4 5324 B11R0.148 CCCCCCOCCC(=O)C 7a_100000210259_100000053229 [2,0,0,0,0,0|1,0,1]=4 5325 B11R0.148 CCCCCCOCCC(=O)C 7a_100000759926_100000210314 [2,0,0,0,0,0|1,0,1]=4 5326 B11R0.148 CCCCCCSCCC(=O)C 62a_100000053229_100000210757 [2,0,0,0,0,0|1,0,1]=4 5327 B11R0.148 CCCCCCSCCC(=O)C 62a_100000210314_100000053229 [2,0,0,0,0,0|1,0,1]=4 5328 B11R0.148 CCCCCOCCCC(=O)C 34a_100000210253_100000685027 [2,0,0,0,0,0|1,0,1]=4 5329 B11R0.148 CCCCCOCCCC(=O)C 34a_100000759063_100000718602 [2,0,0,0,0,0|1,0,1]=4 5330 B11R0.148 CCCCCOCCCC(=O)C 7a_100000210253_100011215641 [2,0,0,0,0,0|1,0,1]=4 5331 B11R0.148 CCCCCOCCCC(=O)C 7a_100000759063_100000210326 [2,0,0,0,0,0|1,0,1]=4 5332 B11R0.148 CCCCCSCCCC(=O)C 62a_100000210326_100011215641 [2,0,0,0,0,0|1,0,1]=4 5333 B11R0.148 CCCCCSCCCC(=O)C 62a_100011215641_100000210326 [2,0,0,0,0,0|1,0,1]=4 5334 B11R0.148 CCCCNCCCCC(=O)C 7a_106832991798_100000735457 [2,0,0,0,0,0|1,0,1]=4 5335 B11R0.148 CCCCOCCCCC(=O)C 34a_100000210227_100009817362 [2,0,0,0,0,0|1,0,1]=4 5336 B11R0.148 CCCCOCCCCC(=O)C 7a_100000210227_100000735457 [2,0,0,0,0,0|1,0,1]=4 5337 B11R0.148 CCCCSCCCCC(=O)C 62a_100000210211_100000735457 [2,0,0,0,0,0|1,0,1]=4 5338 B11R0.148 CCCCSCCCCC(=O)C 62a_100000735457_100000210210 [2,0,0,0,0,0|1,0,1]=4 5339 B11R0.148 O=C(O)CNCCCCCCF 269956a_100016091260_100015922095 [2,0,0,0,0,0|2,0,0]=4 5340 B11R0.148 O=C(O)CNCCCCCCO 269956a_100016091260_100000766143 [2,0,0,0,0,0|2,0,0]=4 5341 B11R0.148 O=CCCCCCNCC(=O)O 269956a_100016091260_100000139337 [2,0,0,0,0,0|2,0,0]=4 5342 B11R0.40 C#CC(=O)CCCCCCC=C 1458a_100000211873_100011215473 [2,0,0,0,0,0|1,0,1]=4 5343 B11R0.40 C#CC(=O)CCCCCCCC 1458a_100000211873_100000210759 [2,0,0,0,0,0|1,0,1]=4 5344 B11R0.40 C=CC(=O)CCCCCCCC 1458a_100000185746_100000210759 [2,0,0,0,0,0|1,0,1]=4 5345 B11R0.40 C=CCCCCCCC(=O)C=C 1458a_100000185746_100011215473 [2,0,0,0,0,0|1,0,1]=4 5346 B11R0.40 C=CCCCCCCC(=O)CC 1458a_100000210414_100011215473 [2,0,0,0,0,0|1,0,0]=3 5347 B11R0.40 C=CCCCCCCC(=O)CC 1458a_100011809334_100000210202 [2,0,0,0,0,0|1,0,0]=3 5348 B11R0.40 C=CCCCCCCC(=O)CF 1458a_100011809334_100015361967 [2,0,0,0,0,0|2,0,0]=4 5349 B11R0.40 C=CCCCCCCC(=O)CO 1458a_100000210174_100011215473 [2,0,0,0,0,0|2,0,0]=4 5350 B11R0.40 C=CCCCCCCC(=O)NC 11a_106832991635_100011809334 [2,0,0,0,0,0|1,0,0]=3 5351 B11R0.40 C=CCCCCCCC(=O)NC 1626a_100102657272_100011809334 [2,0,0,0,0,0|1,0,0]=3 5352 B11R0.40 C=CCCCCCCC(=O)NC 240690a_100102657272_100011809334 [2,0,0,0,0,0|1,0,0]=3 5353 B11R0.40 C=CCCCCCCC(=O)NC 527a_100102657272_100011809334 [2,0,0,0,0,0|1,0,0]=3 5354 B11R0.40 C=CCCCCNCC(=O)NC 2230a_100000693194_100011215482 [2,0,0,0,0,0|2,0,0]=4 5355 B11R0.40 C=CCCCCNCC(=O)NC 2230a_100000703577_100000183359 [2,0,0,0,0,0|2,0,0]=4 5356 B11R0.40 C=CCCCCNCC(=O)NC 34a_100000703577_100000183359 [2,0,0,0,0,0|2,0,0]=4 5357 B11R0.40 C=CCCCCNCC(=O)OC 2230a_100000703577_100000747449 [2,0,0,0,0,0|1,0,0]=3 5358 B11R0.40 C=CCCCCNCC(=O)OC 34a_100000703577_100000747449 [2,0,0,0,0,0|1,0,0]=3 5359 B11R0.40 C=CCCCCOCC(=O)CC 34a_100000725409_100011215482 [2,0,0,0,0,0|2,0,0]=4 5360 B11R0.40 C=CCCCCOCC(=O)CC 7a_100000766645_100000747405 [2,0,0,0,0,0|2,0,0]=4 5361 B11R0.40 C=CCCCCOCC(=O)NC 34a_100000750040_100011215482 [2,0,0,0,0,0|2,0,0]=4 5362 B11R0.40 C=CCCCCOCC(=O)NC 34a_100000766645_100000183359 [2,0,0,0,0,0|2,0,0]=4 5363 B11R0.40 C=CCCCCOCC(=O)NC 7a_100000766645_100000183359 [2,0,0,0,0,0|2,0,0]=4 5364 B11R0.40 C=CCCCCOCC(=O)OC 34a_100000766645_100000747449 [2,0,0,0,0,0|1,0,0]=3 5365 B11R0.40 C=CCCCCOCC(=O)OC 7a_100000766645_100000747449 [2,0,0,0,0,0|1,0,0]=3 5366 B11R0.40 C=CCCCCSCC(=O)CC 62a_100000747405_100011215482 [2,0,0,0,0,0|2,0,0]=4 5367 B11R0.40 C=CCCCCSCC(=O)CC 62a_100011215482_100000747405 [2,0,0,0,0,0|2,0,0]=4 5368 B11R0.40 C=CCCCCSCC(=O)NC 62a_100000183359_100011215482 [2,0,0,0,0,0|2,0,0]=4 5369 B11R0.40 C=CCCCCSCC(=O)NC 62a_100011215482_100000183359 [2,0,0,0,0,0|2,0,0]=4 5370 B11R0.40 C=CCCCCSCC(=O)OC 62a_100000747449_100011215482 [2,0,0,0,0,0|1,0,0]=3 5371 B11R0.40 C=CCCCCSCC(=O)OC 62a_100011215482_100000747449 [2,0,0,0,0,0|1,0,0]=3 5372 B11R0.40 C=CCCCNCCC(=O)NC 2230a_100000700776_100000737683 [2,0,0,0,0,0|2,0,0]=4 5373 B11R0.40 C=CCCCNCCC(=O)NC 2230a_100000738227_100011713584 [2,0,0,0,0,0|2,0,0]=4 5374 B11R0.40 C=CCCCNCCC(=O)NC 34a_100000700776_100012179268 [2,0,0,0,0,0|2,0,0]=4 5375 B11R0.40 C=CCCCNCCC(=O)NC 34a_100000738227_100000757094 [2,0,0,0,0,0|2,0,0]=4 5376 B11R0.40 C=CCCCNCCC(=O)OC 2230a_100000700776_100000204255 [2,0,0,0,0,0|1,0,0]=3 5377 B11R0.40 C=CCCCNCCC(=O)OC 34a_100000700776_100000742370 [2,0,0,0,0,0|1,0,0]=3 5378 B11R0.40 C=CCCCOCCC(=O)NC 34a_100000754576_100000757094 [2,0,0,0,0,0|2,0,0]=4 5379 B11R0.40 C=CCCCOCCC(=O)NC 34a_100000758997_100012179268 [2,0,0,0,0,0|2,0,0]=4 5380 B11R0.40 C=CCCCOCCC(=O)NC 7a_100000758997_100000737683 [2,0,0,0,0,0|2,0,0]=4 5381 B11R0.40 C=CCCCOCCC(=O)OC 34a_100000758997_100000742370 [2,0,0,0,0,0|1,0,0]=3 5382 B11R0.40 C=CCCCOCCC(=O)OC 7a_100000758997_100000204255 [2,0,0,0,0,0|1,0,0]=3 5383 B11R0.40 C=CCCCSCCC(=O)NC 62a_100000737683_100000757094 [2,0,0,0,0,0|2,0,0]=4 5384 B11R0.40 C=CCCCSCCC(=O)NC 62a_100011713584_100000737683 [2,0,0,0,0,0|2,0,0]=4 5385 B11R0.40 C=CCCCSCCC(=O)OC 62a_100000204255_100000757094 [2,0,0,0,0,0|1,0,0]=3 5386 B11R0.40 C=CCCCSCCC(=O)OC 62a_100011713584_100000204255 [2,0,0,0,0,0|1,0,0]=3 5387 B11R0.40 C=CCCCSCOC(=O)OC 62a_100011713584_100000139417 [2,0,0,0,0,0|2,0,0]=4 5388 B11R0.40 C=CCCNCCCC(=O)NC 2230a_100000740002_100000754431 [2,0,0,0,0,0|2,0,0]=4 5389 B11R0.40 C=CCCNCCCC(=O)NC 2230a_100015191253_100000741757 [2,0,0,0,0,0|2,0,0]=4 5390 B11R0.40 C=CCCNCCCC(=O)NC 34a_100000740002_100000754431 [2,0,0,0,0,0|2,0,0]=4 5391 B11R0.40 C=CCCNCCCC(=O)OC 2230a_100015191253_100011218270 [2,0,0,0,0,0|1,0,0]=3 5392 B11R0.40 C=CCCOCCCC(=O)NC 34a_100011205117_100000741757 [2,0,0,0,0,0|2,0,0]=4 5393 B11R0.40 C=CCCOCCCC(=O)OC 34a_100011205117_100000742333 [2,0,0,0,0,0|1,0,0]=3 5394 B11R0.40 C=CCCOCCNC(=O)OC 34a_100000757965_100000754431 [2,0,0,0,0,0|2,0,0]=4 5395 B11R0.40 C=CCCOCCOC(=O)OC 34a_100010262106_100000754431 [2,0,0,0,0,0|2,0,0]=4 5396 B11R0.40 C=CCCSCCCC(=O)NC 62a_100000741757_100000754431 [2,0,0,0,0,0|2,0,0]=4 5397 B11R0.40 C=CCCSCCCC(=O)NC 62a_100000754431_100000741757 [2,0,0,0,0,0|2,0,0]=4 5398 B11R0.40 C=CCCSCCCC(=O)OC 62a_100000754431_100011218270 [2,0,0,0,0,0|1,0,0]=3 5399 B11R0.40 C=CCCSCCCC(=O)OC 62a_100011218270_100000754431 [2,0,0,0,0,0|1,0,0]=3 5400 B11R0.40 C=CCNCCCCC(=O)OC 2230a_100020586998_100000204269 [2,0,0,0,0,0|1,0,0]=3 5401 B11R0.40 C=CCNCCOCC(=O)OC 2230a_100020586998_100000090808 [2,0,0,0,0,0|2,0,0]=4 5402 B11R0.40 C=CCOCCCCC(=O)OC 34a_100000059025_100015514636 [2,0,0,0,0,0|1,0,0]=3 5403 B11R0.40 C=CCOCCCCC(=O)OC 34a_200000210373_100000204269 [2,0,0,0,0,0|1,0,0]=3 5404 B11R0.40 C=CCOCCCCC(=O)OC 7a_100000059025_100015514636 [2,0,0,0,0,0|1,0,0]=3 5405 B11R0.40 C=CCOCCOCC(=O)OC 34a_100000037705_100000747449 [2,0,0,0,0,0|2,0,0]=4 5406 B11R0.40 C=CCOCCOCC(=O)OC 34a_200000210373_100000090808 [2,0,0,0,0,0|2,0,0]=4 5407 B11R0.40 C=CCOCCOCC(=O)OC 7a_100000037705_100000747449 [2,0,0,0,0,0|2,0,0]=4 5408 B11R0.40 C=CCSCCCCC(=O)OC 62a_100000204269_100000210623 [2,0,0,0,0,0|1,0,0]=3 5409 B11R0.40 C=CCSCCCCC(=O)OC 62a_100000210623_100000204269 [2,0,0,0,0,0|1,0,0]=3 5410 B11R0.40 C=CCSCCOCC(=O)OC 62a_100000090808_100000210623 [2,0,0,0,0,0|2,0,0]=4 5411 B11R0.40 C=CCSCCOCC(=O)OC 62a_100000210623_100000090808 [2,0,0,0,0,0|2,0,0]=4 5412 B11R0.40 C=COCCCNCC(=O)OC 2230a_100000210767_100000747449 [2,0,0,0,0,0|2,0,0]=4 5413 B11R0.40 C=COCCCNCC(=O)OC 34a_100000210767_100000747449 [2,0,0,0,0,0|2,0,0]=4 5414 B11R0.40 C=COCCOCCC(=O)OC 34a_100000033082_100000742370 [2,0,0,0,0,0|2,0,0]=4 5415 B11R0.40 C=COCCSCCC(=O)OC 62a_100000039644_100000204255 [2,0,0,0,0,0|2,0,0]=4 5416 B11R0.40 C=COCCSCCC(=O)OC 62a_100000204255_100000039644 [2,0,0,0,0,0|2,0,0]=4 5417 B11R0.40 CCC(=O)CCCCCCCO 1458a_100000210414_100000760002 [2,0,0,0,0,0|2,0,0]=4 5418 B11R0.40 CCC(=O)CCCCCCCO 1458a_100011219782_100000210202 [2,0,0,0,0,0|2,0,0]=4 5419 B11R0.40 CCC(=O)CCCCCCOC 1458a_100000210414_100011998445 [2,0,0,0,0,0|2,0,0]=4 5420 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210188_100000210202 [2,0,0,0,0,0|1,0,0]=3 5421 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210414_100000210759 [2,0,0,0,0,0|1,0,0]=3 5422 B11R0.40 CCCCCCCCC(=O)CF 1458a_100000210188_100015361967 [2,0,0,0,0,0|2,0,0]=4 5423 B11R0.40 CCCCCCCCC(=O)CO 1458a_100000210174_100000210759 [2,0,0,0,0,0|2,0,0]=4 5424 B11R0.40 CCCCCCCCC(=O)NC 11a_106832991635_100000210188 [2,0,0,0,0,0|1,0,0]=3 5425 B11R0.40 CCCCCCCCC(=O)NC 1626a_100102657272_100000210188 [2,0,0,0,0,0|1,0,0]=3 5426 B11R0.40 CCCCCCCCC(=O)NC 240690a_100102657272_100000210188 [2,0,0,0,0,0|1,0,0]=3 5427 B11R0.40 CCCCCCCCC(=O)NC 527a_100102657272_100000210188 [2,0,0,0,0,0|1,0,0]=3 5428 B11R0.40 CCCCCCCCC(C)OC 34a_100000210740_200000210301 [2,0,0,0,0,0|1,0,1]=4 5429 B11R0.40 CCCCCCCCC(C)OC 7a_100000210740_200000210301 [2,0,0,0,0,0|1,0,1]=4 5430 B11R0.40 CCCCCCCCC(C)O[13CH3] 34a_100000210740_200025704644 [2,0,0,0,0,0|1,0,1]=4 5431 B11R0.40 CCCCCCCCC(C)O[13CH3] 7a_100000210740_200025704644 [2,0,0,0,0,0|1,0,1]=4 5432 B11R0.40 CCCCCCCNC(=O)CC 11a_100000229938_100000210414 [2,0,0,0,0,0|2,0,0]=4 5433 B11R0.40 CCCCCCCNC(=O)CC 1626a_100000229938_100000210414 [2,0,0,0,0,0|2,0,0]=4 5434 B11R0.40 CCCCCCCNC(=O)CC 240690a_100000229938_100000210414 [2,0,0,0,0,0|2,0,0]=4 5435 B11R0.40 CCCCCCCNC(=O)CC 527a_100000229938_100000210414 [2,0,0,0,0,0|2,0,0]=4 5436 B11R0.40 CCCCCCCNC(=O)NC 2708a_100000229938_106832991635 [2,0,0,0,0,0|2,0,0]=4 5437 B11R0.40 CCCCCCCNC(=O)NC 2708a_100102657272_100000229938 [2,0,0,0,0,0|2,0,0]=4 5438 B11R0.40 CCCCCCCNC(=O)NC 273464a_100000229938_100102657272 [2,0,0,0,0,0|2,0,0]=4 5439 B11R0.40 CCCCCCCNC(=O)NC 273464a_100102657272_100000229938 [2,0,0,0,0,0|2,0,0]=4 5440 B11R0.40 CCCCCCCNC(=O)NC 512a_100000229938_100102657272 [2,0,0,0,0,0|2,0,0]=4 5441 B11R0.40 CCCCCCCNC(=O)NC 512a_106832991638_100000229938 [2,0,0,0,0,0|2,0,0]=4 5442 B11R0.40 CCCCCCNCC(=O)NC 2230a_100000210581_100000183359 [2,0,0,0,0,0|2,0,0]=4 5443 B11R0.40 CCCCCCNCC(=O)NC 2230a_100000693194_100000210314 [2,0,0,0,0,0|2,0,0]=4 5444 B11R0.40 CCCCCCNCC(=O)OC 2230a_100000210581_100000747449 [2,0,0,0,0,0|1,0,0]=3 5445 B11R0.40 CCCCCCOCC(=O)CC 34a_100000725409_100000210314 [2,0,0,0,0,0|2,0,0]=4 5446 B11R0.40 CCCCCCOCC(=O)CC 7a_100000210259_100000747405 [2,0,0,0,0,0|2,0,0]=4 5447 B11R0.40 CCCCCCOCC(=O)NC 34a_100000210259_100000183359 [2,0,0,0,0,0|2,0,0]=4 5448 B11R0.40 CCCCCCOCC(=O)NC 34a_100000750040_100000210314 [2,0,0,0,0,0|2,0,0]=4 5449 B11R0.40 CCCCCCOCC(=O)NC 7a_100000210259_100000183359 [2,0,0,0,0,0|2,0,0]=4 5450 B11R0.40 CCCCCCOCC(=O)OC 34a_100000210259_100000747449 [2,0,0,0,0,0|1,0,0]=3 5451 B11R0.40 CCCCCCOCC(=O)OC 7a_100000210259_100000747449 [2,0,0,0,0,0|1,0,0]=3 5452 B11R0.40 CCCCCCSCC(=O)CC 62a_100000210314_100000747405 [2,0,0,0,0,0|2,0,0]=4 5453 B11R0.40 CCCCCCSCC(=O)CC 62a_100000747405_100000210757 [2,0,0,0,0,0|2,0,0]=4 5454 B11R0.40 CCCCCCSCC(=O)NC 62a_100000183359_100000210757 [2,0,0,0,0,0|2,0,0]=4 5455 B11R0.40 CCCCCCSCC(=O)NC 62a_100000210314_100000183359 [2,0,0,0,0,0|2,0,0]=4 5456 B11R0.40 CCCCCCSCC(=O)OC 62a_100000210314_100000747449 [2,0,0,0,0,0|1,0,0]=3 5457 B11R0.40 CCCCCCSCC(=O)OC 62a_100000747449_100000210757 [2,0,0,0,0,0|1,0,0]=3 5458 B11R0.40 CCCCCNCCC(=O)NC 2230a_100000209983_100000737683 [2,0,0,0,0,0|2,0,0]=4 5459 B11R0.40 CCCCCNCCC(=O)NC 2230a_100000738227_100000210326 [2,0,0,0,0,0|2,0,0]=4 5460 B11R0.40 CCCCCNCCC(=O)NC 34a_100000738227_100000718602 [2,0,0,0,0,0|2,0,0]=4 5461 B11R0.40 CCCCCNCCC(=O)OC 2230a_100000209983_100000204255 [2,0,0,0,0,0|1,0,0]=3 5462 B11R0.40 CCCCCOCCC(=O)NC 34a_100000210253_100012179268 [2,0,0,0,0,0|2,0,0]=4 5463 B11R0.40 CCCCCOCCC(=O)NC 34a_100000754576_100000718602 [2,0,0,0,0,0|2,0,0]=4 5464 B11R0.40 CCCCCOCCC(=O)NC 7a_100000210253_100000737683 [2,0,0,0,0,0|2,0,0]=4 5465 B11R0.40 CCCCCOCCC(=O)OC 34a_100000210253_100000742370 [2,0,0,0,0,0|1,0,0]=3 5466 B11R0.40 CCCCCOCCC(=O)OC 7a_100000210253_100000204255 [2,0,0,0,0,0|1,0,0]=3 5467 B11R0.40 CCCCCSCCC(=O)NC 62a_100000210326_100000737683 [2,0,0,0,0,0|2,0,0]=4 5468 B11R0.40 CCCCCSCCC(=O)NC 62a_100000737683_100000210326 [2,0,0,0,0,0|2,0,0]=4 5469 B11R0.40 CCCCCSCCC(=O)OC 62a_100000204255_100000210326 [2,0,0,0,0,0|1,0,0]=3 5470 B11R0.40 CCCCCSCCC(=O)OC 62a_100000210326_100000204255 [2,0,0,0,0,0|1,0,0]=3 5471 B11R0.40 CCCCCSCOC(=O)OC 62a_100000210326_100000139417 [2,0,0,0,0,0|2,0,0]=4 5472 B11R0.40 CCCCNCCCC(=O)NC 2230a_100000102301_100000741757 [2,0,0,0,0,0|2,0,0]=4 5473 B11R0.40 CCCCNCCCC(=O)NC 2230a_100000740002_100000210211 [2,0,0,0,0,0|2,0,0]=4 5474 B11R0.40 CCCCNCCCC(=O)NC 34a_100000740002_100000210210 [2,0,0,0,0,0|2,0,0]=4 5475 B11R0.40 CCCCNCCCC(=O)NC 7a_106832991798_100000741757 [2,0,0,0,0,0|2,0,0]=4 5476 B11R0.40 CCCCNCCCC(=O)OC 2230a_100000102301_100011218270 [2,0,0,0,0,0|1,0,0]=3 5477 B11R0.40 CCCCNCCCC(=O)OC 7a_106832991798_100011218270 [2,0,0,0,0,0|1,0,0]=3 5478 B11R0.40 CCCCOCCCC(=O)NC 34a_100000210227_100000741757 [2,0,0,0,0,0|2,0,0]=4 5479 B11R0.40 CCCCOCCCC(=O)NC 7a_100000210227_100000741757 [2,0,0,0,0,0|2,0,0]=4 5480 B11R0.40 CCCCOCCCC(=O)OC 34a_100000210227_100000742333 [2,0,0,0,0,0|1,0,0]=3 5481 B11R0.40 CCCCOCCCC(=O)OC 7a_100000210227_100011218270 [2,0,0,0,0,0|1,0,0]=3 5482 B11R0.40 CCCCOCCNC(=O)OC 34a_100000757965_100000210210 [2,0,0,0,0,0|2,0,0]=4 5483 B11R0.40 CCCCOCCOC(=O)OC 34a_100010262106_100000210210 [2,0,0,0,0,0|2,0,0]=4 5484 B11R0.40 CCCCOCSCC(=O)OC 62a_100000747449_100011995733 [2,0,0,0,0,0|2,0,0]=4 5485 B11R0.40 CCCCOCSCC(=O)OC 62a_100011995733_100000747449 [2,0,0,0,0,0|2,0,0]=4 5486 B11R0.40 CCCCSCCCC(=O)NC 62a_100000210211_100000741757 [2,0,0,0,0,0|2,0,0]=4 5487 B11R0.40 CCCCSCCCC(=O)NC 62a_100000741757_100000210210 [2,0,0,0,0,0|2,0,0]=4 5488 B11R0.40 CCCCSCCCC(=O)OC 62a_100000210211_100011218270 [2,0,0,0,0,0|1,0,0]=3 5489 B11R0.40 CCCCSCCCC(=O)OC 62a_100011218270_100000210210 [2,0,0,0,0,0|1,0,0]=3 5490 B11R0.40 CCCOCCCCC(=O)OC 34a_100000059025_100000210303 [2,0,0,0,0,0|1,0,0]=3 5491 B11R0.40 CCCOCCCCC(=O)OC 34a_100000210258_100000204269 [2,0,0,0,0,0|1,0,0]=3 5492 B11R0.40 CCCOCCCCC(=O)OC 7a_100000059025_100000210303 [2,0,0,0,0,0|1,0,0]=3 5493 B11R0.40 CCCOCCNCC(=O)OC 2230a_100161115042_100000747449 [2,0,0,0,0,0|2,0,0]=4 5494 B11R0.40 CCCOCCNCC(=O)OC 34a_100161115042_100000747449 [2,0,0,0,0,0|2,0,0]=4 5495 B11R0.40 CCCOCCOCC(=O)OC 34a_100000210258_100000090808 [2,0,0,0,0,0|2,0,0]=4 5496 B11R0.40 CCCOCCOCC(=O)OC 34a_100000752267_100000747449 [2,0,0,0,0,0|2,0,0]=4 5497 B11R0.40 CCCOCCOCC(=O)OC 7a_100000752267_100000747449 [2,0,0,0,0,0|2,0,0]=4 5498 B11R0.40 CCCOCCSCC(=O)OC 62a_100000747449_100011215938 [2,0,0,0,0,0|2,0,0]=4 5499 B11R0.40 CCCOCCSCC(=O)OC 62a_100011215938_100000747449 [2,0,0,0,0,0|2,0,0]=4 5500 B11R0.40 CCCSCCCCC(=O)OC 62a_100000204269_100000210303 [2,0,0,0,0,0|1,0,0]=3 5501 B11R0.40 CCCSCCCCC(=O)OC 62a_100000210303_100000204269 [2,0,0,0,0,0|1,0,0]=3 5502 B11R0.40 CCCSCCNCC(=O)OC 2230a_100020603323_100000747449 [2,0,0,0,0,0|2,0,0]=4 5503 B11R0.40 CCCSCCOCC(=O)OC 34a_200000230433_100000747449 [2,0,0,0,0,0|2,0,0]=4 5504 B11R0.40 CCCSCCOCC(=O)OC 62a_100000090808_100000210303 [2,0,0,0,0,0|2,0,0]=4 5505 B11R0.40 CCCSCCOCC(=O)OC 62a_100000210303_100000090808 [2,0,0,0,0,0|2,0,0]=4 5506 B11R0.40 CCCSCCOCC(=O)OC 7a_200000230433_100000747449 [2,0,0,0,0,0|2,0,0]=4 5507 B11R0.40 CCNCCCCCC(=O)OC 2230a_100015525214_100009816466 [2,0,0,0,0,0|1,0,0]=3 5508 B11R0.40 CCOCCCCCC(=O)OC 34a_100000074720_100000210202 [2,0,0,0,0,0|1,0,0]=3 5509 B11R0.40 CCOCCCCCC(=O)OC 34a_100121572206_100009816466 [2,0,0,0,0,0|1,0,0]=3 5510 B11R0.40 CCOCCCCCC(=O)OC 7a_100000074720_100000210202 [2,0,0,0,0,0|1,0,0]=3 5511 B11R0.40 CCOCCCNCC(=O)OC 2230a_100000210961_100000747449 [2,0,0,0,0,0|2,0,0]=4 5512 B11R0.40 CCOCCCNCC(=O)OC 34a_100000210961_100000747449 [2,0,0,0,0,0|2,0,0]=4 5513 B11R0.40 CCOCCCOCC(=O)OC 34a_100000757476_100000747449 [2,0,0,0,0,0|2,0,0]=4 5514 B11R0.40 CCOCCCOCC(=O)OC 7a_100000757476_100000747449 [2,0,0,0,0,0|2,0,0]=4 5515 B11R0.40 CCOCCCSCC(=O)OC 62a_100000747449_100012232248 [2,0,0,0,0,0|2,0,0]=4 5516 B11R0.40 CCOCCCSCC(=O)OC 62a_100012232248_100000747449 [2,0,0,0,0,0|2,0,0]=4 5517 B11R0.40 CCOCCNCCC(=O)OC 2230a_102516460346_100000204255 [2,0,0,0,0,0|2,0,0]=4 5518 B11R0.40 CCOCCNCCC(=O)OC 34a_102516460346_100000742370 [2,0,0,0,0,0|2,0,0]=4 5519 B11R0.40 CCOCCOCCC(=O)OC 34a_100000210136_100000742370 [2,0,0,0,0,0|2,0,0]=4 5520 B11R0.40 CCOCCOCCC(=O)OC 7a_100000210136_100000204255 [2,0,0,0,0,0|2,0,0]=4 5521 B11R0.40 CCOCCSCCC(=O)OC 62a_100000204255_100011215890 [2,0,0,0,0,0|2,0,0]=4 5522 B11R0.40 CCOCCSCCC(=O)OC 62a_100000210147_100000204255 [2,0,0,0,0,0|2,0,0]=4 5523 B11R0.40 CCOCSCCCC(=O)OC 62a_100000739092_100011218270 [2,0,0,0,0,0|2,0,0]=4 5524 B11R0.40 CCOCSCCCC(=O)OC 62a_100011218270_100000739092 [2,0,0,0,0,0|2,0,0]=4 5525 B11R0.40 CCSCCCCCC(=O)OC 62a_100000210202_100009816466 [2,0,0,0,0,0|1,0,0]=3 5526 B11R0.40 CCSCCCCCC(=O)OC 62a_100009816466_100000210202 [2,0,0,0,0,0|1,0,0]=3 5527 B11R0.40 CCSCCCOCC(=O)OC 34a_100011216438_100000747449 [2,0,0,0,0,0|2,0,0]=4 5528 B11R0.40 CCSCCCOCC(=O)OC 7a_100011216438_100000747449 [2,0,0,0,0,0|2,0,0]=4 5529 B11R0.40 CCSCCNCCC(=O)OC 2230a_100000106463_100000204255 [2,0,0,0,0,0|2,0,0]=4 5530 B11R0.40 CCSCCOCCC(=O)OC 34a_100000212035_100000742370 [2,0,0,0,0,0|2,0,0]=4 5531 B11R0.40 CCSCCOCCC(=O)OC 7a_100000212035_100000204255 [2,0,0,0,0,0|2,0,0]=4 5532 B11R0.40 CCSCCSCCC(=O)OC 62a_100000204255_100000757381 [2,0,0,0,0,0|2,0,0]=4 5533 B11R0.40 CCSCCSCCC(=O)OC 62a_100000757381_100000204255 [2,0,0,0,0,0|2,0,0]=4 5534 B11R0.40 CNC(=O)CCCCCCCO 240690a_100102657272_100011219782 [2,0,0,0,0,0|2,0,0]=4 5535 B11R0.40 CNCCCCCCC(=O)OC 2230a_106832991635_100009815986 [2,0,0,0,0,0|1,0,0]=3 5536 B11R0.40 CNCCCCCCC(=O)OC 34a_100102657272_100009815986 [2,0,0,0,0,0|1,0,0]=3 5537 B11R0.40 CNCCCCCCC(=O)OC 7a_106832991635_100009815986 [2,0,0,0,0,0|1,0,0]=3 5538 B11R0.40 CNCCCOCCC(=O)OC 34a_100000213112_100000742370 [2,0,0,0,0,0|2,0,0]=4 5539 B11R0.40 COC(=O)CCCCCCO[13CH3] 34a_100009863599_200025704644 [2,0,0,0,0,0|1,0,0]=3 5540 B11R0.40 COC(=O)CCCCCCO[13CH3] 7a_100009863599_200025704644 [2,0,0,0,0,0|1,0,0]=3 5541 B11R0.40 COC(=O)CCCCCCSC 62a_100009815986_200000210301 [2,0,0,0,0,0|1,0,0]=3 5542 B11R0.40 COC(=O)CCCCCCSC 62a_200000210301_100009815986 [2,0,0,0,0,0|1,0,0]=3 5543 B11R0.40 COC(=O)CCCCCCS[13CH3] 62a_100009815986_200025704644 [2,0,0,0,0,0|1,0,0]=3 5544 B11R0.40 COC(=O)CCCCCCS[13CH3] 62a_200025704644_100009815986 [2,0,0,0,0,0|1,0,0]=3 5545 B11R0.40 COC(=O)CCCCCOCF 34a_100000074720_100015361967 [2,0,0,0,0,0|2,0,0]=4 5546 B11R0.40 COC(=O)CCCCCOCF 7a_100000074720_100015361967 [2,0,0,0,0,0|2,0,0]=4 5547 B11R0.40 COC(=O)CCCCCSCF 62a_100009816466_100015361967 [2,0,0,0,0,0|2,0,0]=4 5548 B11R0.40 COC(=O)CCCCCSCF 62a_100015361967_100009816466 [2,0,0,0,0,0|2,0,0]=4 5549 B11R0.40 COC(=O)CCCCNCCF 34a_100000724931_100000204269 [2,0,0,0,0,0|2,0,0]=4 5550 B11R0.40 COC(=O)CCCCNCCO 2230a_100016997473_100000204269 [2,0,0,0,0,0|2,0,0]=4 5551 B11R0.40 COC(=O)CCCCNCCO 34a_100016990907_100000204269 [2,0,0,0,0,0|2,0,0]=4 5552 B11R0.40 COC(=O)CCCCOCC=O 34a_100000059025_200009817547 [2,0,0,0,0,0|2,0,0]=4 5553 B11R0.40 COC(=O)CCCCOCC=O 7a_100000059025_200015260668 [2,0,0,0,0,0|2,0,0]=4 5554 B11R0.40 COC(=O)CCCCOCCBr 34a_100000211926_100000204269 [2,0,0,0,0,0|2,0,0]=4 5555 B11R0.40 COC(=O)CCCCOCCF 34a_100000059025_100011217306 [2,0,0,0,0,0|2,0,0]=4 5556 B11R0.40 COC(=O)CCCCOCCF 7a_100000059025_100011217306 [2,0,0,0,0,0|2,0,0]=4 5557 B11R0.40 COC(=O)CCCCOCCN 34a_100000210304_100000204269 [2,0,0,0,0,0|2,0,0]=4 5558 B11R0.40 COC(=O)CCCCOCCO 34a_100000059025_100000211926 [2,0,0,0,0,0|2,0,0]=4 5559 B11R0.40 COC(=O)CCCCOCCO 7a_100000059025_100000211926 [2,0,0,0,0,0|2,0,0]=4 5560 B11R0.40 COC(=O)CCCCOCSC 34a_100000059025_100011218213 [2,0,0,0,0,0|2,0,0]=4 5561 B11R0.40 COC(=O)CCCCSCC=O 62a_100000204269_200015260668 [2,0,0,0,0,0|2,0,0]=4 5562 B11R0.40 COC(=O)CCCCSCC=O 62a_200015260668_100000204269 [2,0,0,0,0,0|2,0,0]=4 5563 B11R0.40 COC(=O)CCCCSCCF 62a_100000204269_100011217306 [2,0,0,0,0,0|2,0,0]=4 5564 B11R0.40 COC(=O)CCCCSCCF 62a_100011217306_100000204269 [2,0,0,0,0,0|2,0,0]=4 5565 B11R0.40 COC(=O)CCCCSCCO 62a_100000204269_100000211926 [2,0,0,0,0,0|2,0,0]=4 5566 B11R0.40 COC(=O)CCCCSCCO 62a_100000211926_100000204269 [2,0,0,0,0,0|2,0,0]=4 5567 B11R0.40 COC(=O)CCCCSCSC 62a_100000204269_100011218213 [2,0,0,0,0,0|2,0,0]=4 5568 B11R0.40 COC(=O)CCCCSCSC 62a_100011218213_100000204269 [2,0,0,0,0,0|2,0,0]=4 5569 B11R0.40 COC(=O)CCCNCCCF 2230a_100015189416_100011218270 [2,0,0,0,0,0|2,0,0]=4 5570 B11R0.40 COC(=O)CCCNCCCF 34a_100015189416_100000742333 [2,0,0,0,0,0|2,0,0]=4 5571 B11R0.40 COC(=O)CCCNCCSC 2230a_100020590264_100011218270 [2,0,0,0,0,0|2,0,0]=4 5572 B11R0.40 COC(=O)CCCOCCCBr 34a_100011217188_100000742333 [2,0,0,0,0,0|2,0,0]=4 5573 B11R0.40 COC(=O)CCCOCCCCl 34a_100000230001_100000742333 [2,0,0,0,0,0|2,0,0]=4 5574 B11R0.40 COC(=O)CCCOCCCF 34a_100000759539_100000742333 [2,0,0,0,0,0|2,0,0]=4 5575 B11R0.40 COC(=O)CCCOCCCN 34a_100000182051_100000742333 [2,0,0,0,0,0|2,0,0]=4 5576 B11R0.40 COC(=O)CCCOCCSC 34a_100000230434_100000742333 [2,0,0,0,0,0|2,0,0]=4 5577 B11R0.40 COC(=O)CCCOCCSC 7a_100000230434_100011218270 [2,0,0,0,0,0|2,0,0]=4 5578 B11R0.40 COC(=O)CCCSCCCF 62a_100011218270_100011934791 [2,0,0,0,0,0|2,0,0]=4 5579 B11R0.40 COC(=O)CCCSCCCF 62a_100011934791_100011218270 [2,0,0,0,0,0|2,0,0]=4 5580 B11R0.40 COC(=O)CCCSCCCO 62a_100011215043_100011218270 [2,0,0,0,0,0|2,0,0]=4 5581 B11R0.40 COC(=O)CCCSCCCO 62a_100011218270_100011215043 [2,0,0,0,0,0|2,0,0]=4 5582 B11R0.40 COC(=O)CCCSCCSC 62a_100000212216_100011218270 [2,0,0,0,0,0|2,0,0]=4 5583 B11R0.40 COC(=O)CCCSCCSC 62a_100011218270_100000751147 [2,0,0,0,0,0|2,0,0]=4 5584 B11R0.40 COC(=O)CCNCCCCO 2230a_100000750430_100000204255 [2,0,0,0,0,0|2,0,0]=4 5585 B11R0.40 COC(=O)CCNCCCCO 34a_100000750430_100000742370 [2,0,0,0,0,0|2,0,0]=4 5586 B11R0.40 COC(=O)CCNCCCSC 2230a_100000749238_100000204255 [2,0,0,0,0,0|2,0,0]=4 5587 B11R0.40 COC(=O)CCOCCCCBr 34a_100011216708_100000742370 [2,0,0,0,0,0|2,0,0]=4 5588 B11R0.40 COC(=O)CCOCCCCCl 34a_100000210776_100000742370 [2,0,0,0,0,0|2,0,0]=4 5589 B11R0.40 COC(=O)CCOCCCCCl 7a_100000210776_100000204255 [2,0,0,0,0,0|2,0,0]=4 5590 B11R0.40 COC(=O)CCOCCCCF 34a_100011995726_100000742370 [2,0,0,0,0,0|2,0,0]=4 5591 B11R0.40 COC(=O)CCOCCCCF 7a_100011995726_100000204255 [2,0,0,0,0,0|2,0,0]=4 5592 B11R0.40 COC(=O)CCOCCCCI 34a_200012148704_100000742370 [2,0,0,0,0,0|2,0,0]=4 5593 B11R0.40 COC(=O)CCOCCCCN 34a_100000750430_100000742370 [2,0,0,0,0,0|2,0,0]=4 5594 B11R0.40 COC(=O)CCOCCCSC 34a_100000690336_100000742370 [2,0,0,0,0,0|2,0,0]=4 5595 B11R0.40 COC(=O)CCOCCCSC 7a_100000690336_100000204255 [2,0,0,0,0,0|2,0,0]=4 5596 B11R0.40 COC(=O)CCSCCCC=O 62a_100000204255_200011292268 [2,0,0,0,0,0|2,0,0]=4 5597 B11R0.40 COC(=O)CCSCCCC=O 62a_200011292268_100000204255 [2,0,0,0,0,0|2,0,0]=4 5598 B11R0.40 COC(=O)CCSCCCCF 62a_100000204255_100000729493 [2,0,0,0,0,0|2,0,0]=4 5599 B11R0.40 COC(=O)CCSCCCCF 62a_100000729493_100000204255 [2,0,0,0,0,0|2,0,0]=4 5600 B11R0.40 COC(=O)CCSCCCCO 62a_100000204255_100000210776 [2,0,0,0,0,0|2,0,0]=4 5601 B11R0.40 COC(=O)CCSCCCCO 62a_100000210776_100000204255 [2,0,0,0,0,0|2,0,0]=4 5602 B11R0.40 COC(=O)CNCCCCCO 2230a_100000762737_100000747449 [2,0,0,0,0,0|2,0,0]=4 5603 B11R0.40 COC(=O)CNCCCCCO 34a_100000762737_100000747449 [2,0,0,0,0,0|2,0,0]=4 5604 B11R0.40 COC(=O)COCCCCCBr 34a_100000746331_100000747449 [2,0,0,0,0,0|2,0,0]=4 5605 B11R0.40 COC(=O)COCCCCCBr 7a_100000746331_100000747449 [2,0,0,0,0,0|2,0,0]=4 5606 B11R0.40 COC(=O)COCCCCCCl 34a_100000746330_100000747449 [2,0,0,0,0,0|2,0,0]=4 5607 B11R0.40 COC(=O)COCCCCCCl 7a_100000746330_100000747449 [2,0,0,0,0,0|2,0,0]=4 5608 B11R0.40 COC(=O)COCCCCCI 34a_200012148887_100000747449 [2,0,0,0,0,0|2,0,0]=4 5609 B11R0.40 COC(=O)COCCCCCI 7a_200012148887_100000747449 [2,0,0,0,0,0|2,0,0]=4 5610 B11R0.40 COC(=O)COCCCCCN 34a_100000762737_100000747449 [2,0,0,0,0,0|2,0,0]=4 5611 B11R0.40 COC(=O)COCCCCSC 34a_100011217163_100000747449 [2,0,0,0,0,0|2,0,0]=4 5612 B11R0.40 COC(=O)COCCCCSC 7a_100011217163_100000747449 [2,0,0,0,0,0|2,0,0]=4 5613 B11R0.40 COC(=O)CSCCCCC=O 62a_100000139335_100000747449 [2,0,0,0,0,0|2,0,0]=4 5614 B11R0.40 COC(=O)CSCCCCC=O 62a_100000747449_100000139335 [2,0,0,0,0,0|2,0,0]=4 5615 B11R0.40 COC(=O)CSCCCCCF 62a_100000729378_100000747449 [2,0,0,0,0,0|2,0,0]=4 5616 B11R0.40 COC(=O)CSCCCCCF 62a_100000747449_100000729378 [2,0,0,0,0,0|2,0,0]=4 5617 B11R0.40 COC(=O)CSCCCCCO 62a_100000746330_100000747449 [2,0,0,0,0,0|2,0,0]=4 5618 B11R0.40 COC(=O)CSCCCCCO 62a_100000747449_100000746330 [2,0,0,0,0,0|2,0,0]=4 5619 B11R0.40 COCCCCCCC(=O)OC 34a_100009863599_200000210301 [2,0,0,0,0,0|1,0,0]=3 5620 B11R0.40 COCCCCCCC(=O)OC 34a_100138415774_100009815986 [2,0,0,0,0,0|1,0,0]=3 5621 B11R0.40 COCCCCCCC(=O)OC 7a_100009863599_200000210301 [2,0,0,0,0,0|1,0,0]=3 5622 B11R0.40 COCCCCOCC(=O)OC 34a_100000740925_100000747449 [2,0,0,0,0,0|2,0,0]=4 5623 B11R0.40 COCCCCSCC(=O)OC 62a_100000730899_100000747449 [2,0,0,0,0,0|2,0,0]=4 5624 B11R0.40 COCCCCSCC(=O)OC 62a_100000747449_100000730899 [2,0,0,0,0,0|2,0,0]=4 5625 B11R0.40 COCCCNCCC(=O)OC 34a_100150723488_100000742370 [2,0,0,0,0,0|2,0,0]=4 5626 B11R0.40 COCCCOCCC(=O)OC 34a_100000740835_100000742370 [2,0,0,0,0,0|2,0,0]=4 5627 B11R0.40 COCCCSCCC(=O)OC 62a_100000204255_100000709357 [2,0,0,0,0,0|2,0,0]=4 5628 B11R0.40 COCCCSCCC(=O)OC 62a_100000709357_100000204255 [2,0,0,0,0,0|2,0,0]=4 5629 B11R0.40 COCCNCCCC(=O)OC 2230a_100000209980_100011218270 [2,0,0,0,0,0|2,0,0]=4 5630 B11R0.40 COCCOCCCC(=O)OC 34a_100000210237_100000742333 [2,0,0,0,0,0|2,0,0]=4 5631 B11R0.40 COCCSCCCC(=O)OC 62a_100000233755_100011218270 [2,0,0,0,0,0|2,0,0]=4 5632 B11R0.40 COCCSCCCC(=O)OC 62a_100011218270_100000233755 [2,0,0,0,0,0|2,0,0]=4 5633 B11R0.40 COCSCCCCC(=O)OC 62a_100000204269_100000766300 [2,0,0,0,0,0|2,0,0]=4 5634 B11R0.40 COCSCCCCC(=O)OC 62a_100000766300_100000204269 [2,0,0,0,0,0|2,0,0]=4 5635 B13R0.2 C=CCCCCCCCC(=O)C=CC 1458a_100000210699_100012355270 [1,1,0,0,0,0|1,0,1]=4 5636 B13R0.2 C=CCCCCCCCC(=O)COC 1458a_100000210968_100012355270 [1,1,0,0,0,0|0,0,2]=4 5637 B13R0.2 C=CCCCCCCN[C@H](C)COC 2230a_100000764878_100011215473 [1,1,0,0,0,0|1,0,1]=4 5638 B13R0.2 C=CCCCCCCOC(C)/C=C/C 34a_200102604097_100011215473 [1,1,0,0,0,0|2,0,0]=4 5639 B13R0.2 C=CCCCCCCOC(C)COC 34a_200011216477_100000765312 [1,1,0,0,0,0|1,0,1]=4 5640 B13R0.2 C=CCCCCCCOC(C)COC 7a_200011216477_100000765312 [1,1,0,0,0,0|1,0,1]=4 5641 B13R0.2 C=CCCCCCCO[C@H](C)COC 34a_100011934205_100011215473 [1,1,0,0,0,0|1,0,1]=4 5642 B13R0.2 C=CCCCCCCSC(C)COC 62a_100000765312_100011215473 [1,1,0,0,0,0|1,0,1]=4 5643 B13R0.2 C=CCCCCCCSC(C)COC 62a_100011215473_100000765312 [1,1,0,0,0,0|1,0,1]=4 5644 B13R0.2 C=CCCCCCNCC(O)COC 2230a_100000756049_100000700193 [1,1,0,0,0,0|1,0,1]=4 5645 B13R0.2 C=CCCCCCNCC(O)COC 34a_100000756049_100000700193 [1,1,0,0,0,0|1,0,1]=4 5646 B13R0.2 C=CCCCCCOCC(N)COC 34a_100000724102_100000700193 [1,1,0,0,0,0|1,0,1]=4 5647 B13R0.2 C=CCCCCCOCC(O)COC 34a_100011216702_100011215053 [1,1,0,0,0,0|1,0,1]=4 5648 B13R0.2 C=CCCCCCOCC(O)COC 7a_100011216702_100011215053 [1,1,0,0,0,0|1,0,1]=4 5649 B13R0.2 C=CCCCCCSCC(O)COC 62a_100000700193_100011215053 [1,1,0,0,0,0|1,0,1]=4 5650 B13R0.2 C=CCCCCCSCC(O)COC 62a_100011215053_100000700193 [1,1,0,0,0,0|1,0,1]=4 5651 B13R0.2 C=CC[C@@H](C)OCCCCCCOC 34a_100000731007_100011998445 [1,1,0,0,0,0|1,0,1]=4 5652 B13R0.2 C=CC[C@@H](C)OCCCCCCOC 7a_100000731007_100011998445 [1,1,0,0,0,0|1,0,1]=4 5653 B13R0.54 C=C(Br)CCOCCCCCCOC 34a_100009813270_100011998445 [1,1,0,0,0,0|1,0,1]=4 5654 B13R0.54 C=C(C)CCOCCCCCCOC 34a_100000764851_100011998445 [1,1,0,0,0,0|1,0,1]=4 5655 B13R0.54 C=C(C)CCOCCCCCCOC 34a_200012092642_100000730704 [1,1,0,0,0,0|1,0,1]=4 5656 B13R0.54 C=C(C)CCOCCCCCCOC 7a_200012092642_100000730704 [1,1,0,0,0,0|1,0,1]=4 5657 B13R0.54 C=C(C)CCSCCCCCCOC 62a_100000730704_100011998445 [1,1,0,0,0,0|1,0,1]=4 5658 B13R0.54 C=C(C)CCSCCCCCCOC 62a_100011998445_100000730704 [1,1,0,0,0,0|1,0,1]=4 5659 B13R0.54 C=CCCCCCCCCCC(=O)C 1458a_100000070787_100009814027 [1,1,0,0,0,0|1,0,1]=4 5660 B13R0.54 C=CCCCCCCCCCN(C)C 2230a_100102631434_100009814027 [1,1,0,0,0,0|1,0,1]=4 5661 B13R0.54 C=CCCCCCCCCCN(C)C 269982a_100102631434_100009814027 [1,1,0,0,0,0|1,0,1]=4 5662 B13R0.54 C=CCCCCCCCCNC(C)C 2230a_100138425928_100011933949 [1,1,0,0,0,0|2,0,0]=4 5663 B13R0.54 C=CCCCCCCCCNC(C)C 34a_100138425928_100011933949 [1,1,0,0,0,0|2,0,0]=4 5664 B13R0.54 C=CCCCCCCCCOC(C)C 34a_100000212225_100011933949 [1,1,0,0,0,0|2,0,0]=4 5665 B13R0.54 C=CCCCCCCCCOC(C)C 34a_100011215194_100000210206 [1,1,0,0,0,0|2,0,0]=4 5666 B13R0.54 C=CCCCCCCCCOC(C)C 7a_100011215194_100000210206 [1,1,0,0,0,0|2,0,0]=4 5667 B13R0.54 C=CCCCCCCCCSC(C)C 62a_100000210206_100011933949 [1,1,0,0,0,0|2,0,0]=4 5668 B13R0.54 C=CCCCCCCCCSC(C)C 62a_100011933949_100000210206 [1,1,0,0,0,0|2,0,0]=4 5669 B13R0.54 C=CCCCCCCNCC=C(C)C 34a_100000718196_100011215473 [1,1,0,0,0,0|2,0,0]=4 5670 B13R0.54 C=CCCCCCCOCC=C(C)C 34a_100000753907_100011215473 [1,1,0,0,0,0|2,0,0]=4 5671 B13R0.54 C=CCCCCCCOCC=C(C)C 34a_200011216477_100000761012 [1,1,0,0,0,0|2,0,0]=4 5672 B13R0.54 C=CCCCCCCOCC=C(C)C 7a_200011216477_100000761012 [1,1,0,0,0,0|2,0,0]=4 5673 B13R0.54 C=CCCCCCCSCC=C(C)C 62a_100000761012_100011215473 [1,1,0,0,0,0|2,0,0]=4 5674 B13R0.54 C=CCCCCCCSCC=C(C)C 62a_100011215473_100000761012 [1,1,0,0,0,0|2,0,0]=4 5675 B13R0.54 C=CCCCCCOCCC=C(C)C 34a_100011216702_100011217483 [1,1,0,0,0,0|2,0,0]=4 5676 B13R0.54 C=CCCCCCOCCC=C(C)C 7a_100011216702_100011217483 [1,1,0,0,0,0|2,0,0]=4 5677 B13R0.54 C=CCCCCCSCCC=C(C)C 62a_100000700193_100011217483 [1,1,0,0,0,0|2,0,0]=4 5678 B13R0.54 C=CCCCCCSCCC=C(C)C 62a_100011217483_100000700193 [1,1,0,0,0,0|2,0,0]=4 5679 B13R0.66 C=CCCC(=O)CCCCCCOC 1458a_100000749702_100011998445 [1,1,0,0,0,0|0,0,2]=4 5680 B13R0.66 C=CCCC(C)NCCCCCOC 270004a_100000747528_100000762624 [1,1,0,0,0,0|1,0,1]=4 5681 B13R0.66 C=CCCCCCCC(=O)C/C=C/C 1458a_100011809334_100102629194 [1,1,0,0,0,0|1,0,1]=4 5682 B13R0.66 C=CCCCCCCC(=O)C=COC 1458a_100016268678_100011215473 [1,1,0,0,0,0|0,0,2]=4 5683 B13R0.66 C=CCCCCCCC(=O)CC=CC 1458a_100011809334_100000070051 [1,1,0,0,0,0|1,0,1]=4 5684 B13R0.66 C=CCCCCCCC(=O)CC=CC 1458a_100121576822_100011215473 [1,1,0,0,0,0|1,0,1]=4 5685 B13R0.66 C=CCCCCCCC(=O)CCOC 1458a_100000749529_100011215473 [1,1,0,0,0,0|0,0,2]=4 5686 B13R0.66 C=CCCCCCCC(=O)CCOC 1458a_100011809334_100000233755 [1,1,0,0,0,0|0,0,2]=4 5687 B13R0.66 C=CCCCCCCN(C)CCOC 2230a_100000743101_100011215473 [1,1,0,0,0,0|1,0,1]=4 5688 B13R0.66 C=CCCCCCCN(C)CCOC 269982a_100000743101_100011215473 [1,1,0,0,0,0|1,0,1]=4 5689 B13R0.66 C=CCCN(C)CCCCCCOC 2230a_100020639649_100011998445 [1,1,0,0,0,0|1,0,1]=4 5690 B13R0.66 C=CCCN(C)CCCCCCOC 269982a_100020639649_100011998445 [1,1,0,0,0,0|1,0,1]=4 5691 B13R0.165 C=CCCCCC(=O)CCCCOC 1458a_100011215552_100000755781 [1,1,0,0,0,0|0,0,2]=4 5692 B13R0.165 C=CCCCCN(C)CCCCOC 2230a_100012000471_100000730899 [1,1,0,0,0,0|1,0,1]=4 5693 B13R0.165 C=CCCCCN(C)CCCCOC 269982a_100012000471_100000730899 [1,1,0,0,0,0|1,0,1]=4 5694 B13R0.336 C/C=C/CCOCCCCCCOC 34a_100016278192_100011998445 [1,1,0,0,0,0|1,0,1]=4 5695 B13R0.336 C=CCCCCCCCCCCNC 2230a_106832991635_100011093070 [1,1,0,0,0,0|1,0,1]=4 5696 B13R0.336 C=CCCCCCCCCCCNC 34a_100102657272_100011093070 [1,1,0,0,0,0|1,0,1]=4 5697 B13R0.336 C=CCCCCCCCCCCNC 7a_106832991635_100011093070 [1,1,0,0,0,0|1,0,1]=4 5698 B13R0.336 C=CCCCCCCCCCCOC 34a_100138415774_100011093070 [1,1,0,0,0,0|0,0,1]=3 5699 B13R0.336 C=CCCCCCCCCCCSC 62a_100011093070_200000210301 [1,1,0,0,0,0|0,1,1]=4 5700 B13R0.336 C=CCCCCCCCCCCSC 62a_200000210301_100011093070 [1,1,0,0,0,0|0,1,1]=4 5701 B13R0.336 C=CCCCCCCCCCCS[13CH3] 62a_100011093070_200025704644 [1,1,0,0,0,0|0,1,1]=4 5702 B13R0.336 C=CCCCCCCCCCCS[13CH3] 62a_200025704644_100011093070 [1,1,0,0,0,0|0,1,1]=4 5703 B13R0.336 C=CCCCCCCCCCNCC 2230a_100000081888_100000210202 [1,1,0,0,0,0|1,0,1]=4 5704 B13R0.336 C=CCCCCCCCCCNCC 2230a_100015525214_100009814027 [1,1,0,0,0,0|1,0,1]=4 5705 B13R0.336 C=CCCCCCCCCCNCC 34a_100000081888_100000210202 [1,1,0,0,0,0|1,0,1]=4 5706 B13R0.336 C=CCCCCCCCCCNCF 34a_100000081888_100015361967 [1,1,0,0,0,0|1,0,1]=4 5707 B13R0.336 C=CCCCCCCCCCOCC 34a_100000038209_100000210202 [1,1,0,0,0,0|0,0,1]=3 5708 B13R0.336 C=CCCCCCCCCCOCC 34a_100121572206_100009814027 [1,1,0,0,0,0|0,0,1]=3 5709 B13R0.336 C=CCCCCCCCCCOCC 7a_100000038209_100000210202 [1,1,0,0,0,0|0,0,1]=3 5710 B13R0.336 C=CCCCCCCCCCOCF 34a_100000038209_100015361967 [1,1,0,0,0,0|0,0,1]=3 5711 B13R0.336 C=CCCCCCCCCCOCF 7a_100000038209_100015361967 [1,1,0,0,0,0|0,0,1]=3 5712 B13R0.336 C=CCCCCCCCCCSCC 62a_100000210202_100009814027 [1,1,0,0,0,0|0,1,1]=4 5713 B13R0.336 C=CCCCCCCCCCSCC 62a_100009814027_100000210202 [1,1,0,0,0,0|0,1,1]=4 5714 B13R0.336 C=CCCCCCCCCCSCF 62a_100009814027_100015361967 [1,1,0,0,0,0|0,1,1]=4 5715 B13R0.336 C=CCCCCCCCCCSCF 62a_100015361967_100009814027 [1,1,0,0,0,0|0,1,1]=4 5716 B13R0.336 C=CCCCCCCCCNCCF 34a_100000724931_100011933949 [1,1,0,0,0,0|2,0,0]=4 5717 B13R0.336 C=CCCCCCCCCNCCO 2230a_100016997473_100011933949 [1,1,0,0,0,0|2,0,0]=4 5718 B13R0.336 C=CCCCCCCCCNCCO 34a_100016990907_100011933949 [1,1,0,0,0,0|2,0,0]=4 5719 B13R0.336 C=CCCCCCCCCOCCBr 34a_100000211926_100011933949 [1,1,0,0,0,0|2,0,0]=4 5720 B13R0.336 C=CCCCCCCCCOCCC 34a_100000210258_100011933949 [1,1,0,0,0,0|1,0,1]=4 5721 B13R0.336 C=CCCCCCCCCOCCC 34a_100011215194_100000210303 [1,1,0,0,0,0|1,0,1]=4 5722 B13R0.336 C=CCCCCCCCCOCCC 7a_100011215194_100000210303 [1,1,0,0,0,0|1,0,1]=4 5723 B13R0.336 C=CCCCCCCCCOCCF 34a_100011215194_100011217306 [1,1,0,0,0,0|2,0,0]=4 5724 B13R0.336 C=CCCCCCCCCOCCF 7a_100011215194_100011217306 [1,1,0,0,0,0|2,0,0]=4 5725 B13R0.336 C=CCCCCCCCCOCCN 34a_100000210304_100011933949 [1,1,0,0,0,0|2,0,0]=4 5726 B13R0.336 C=CCCCCCCCCOCCO 34a_100011215194_100000211926 [1,1,0,0,0,0|2,0,0]=4 5727 B13R0.336 C=CCCCCCCCCOCCO 7a_100011215194_100000211926 [1,1,0,0,0,0|2,0,0]=4 5728 B13R0.336 C=CCCCCCCCCOCSC 34a_100011215194_100011218213 [1,1,0,0,0,0|0,1,1]=4 5729 B13R0.336 C=CCCCCCCCCSCCC 62a_100000210303_100011933949 [1,1,0,0,0,0|1,0,1]=4 5730 B13R0.336 C=CCCCCCCCCSCCC 62a_100011933949_100000210303 [1,1,0,0,0,0|1,0,1]=4 5731 B13R0.336 C=CCCCCCCCCSCCF 62a_100011217306_100011933949 [1,1,0,0,0,0|2,0,0]=4 5732 B13R0.336 C=CCCCCCCCCSCCF 62a_100011933949_100011217306 [1,1,0,0,0,0|2,0,0]=4 5733 B13R0.336 C=CCCCCCCCCSCCO 62a_100000211926_100011933949 [1,1,0,0,0,0|2,0,0]=4 5734 B13R0.336 C=CCCCCCCCCSCCO 62a_100011933949_100000211926 [1,1,0,0,0,0|2,0,0]=4 5735 B13R0.336 C=CCCCCCCCCSCOC 62a_100000766300_100011933949 [1,1,0,0,0,0|0,0,1]=3 5736 B13R0.336 C=CCCCCCCCCSCOC 62a_100011933949_100000766300 [1,1,0,0,0,0|0,0,1]=3 5737 B13R0.336 C=CCCCCCCCCSCSC 62a_100011218213_100011933949 [1,1,0,0,0,0|0,1,1]=4 5738 B13R0.336 C=CCCCCCCCCSCSC 62a_100011933949_100011218213 [1,1,0,0,0,0|0,1,1]=4 5739 B13R0.336 C=CCCCCCCCNCC#CC 2230a_100000685387_100012355270 [1,1,0,0,0,0|1,0,1]=4 5740 B13R0.336 C=CCCCCCCCNCC#CC 34a_100000685387_100012355270 [1,1,0,0,0,0|1,0,1]=4 5741 B13R0.336 C=CCCCCCCCNCCCC 2230a_100000102301_100012355270 [1,1,0,0,0,0|1,0,1]=4 5742 B13R0.336 C=CCCCCCCCNCCCC 7a_106832991798_100012355270 [1,1,0,0,0,0|1,0,1]=4 5743 B13R0.336 C=CCCCCCCCNCCOC 2230a_100000209980_100012355270 [1,1,0,0,0,0|0,0,1]=3 5744 B13R0.336 C=CCCCCCCCNCCSC 2230a_100020590264_100012355270 [1,1,0,0,0,0|0,1,1]=4 5745 B13R0.336 C=CCCCCCCCOC/C=C/C 34a_100000730831_100102629194 [1,1,0,0,0,0|1,0,0]=3 5746 B13R0.336 C=CCCCCCCCOC/C=C/C 34a_100016270725_100012355270 [1,1,0,0,0,0|1,0,0]=3 5747 B13R0.336 C=CCCCCCCCOC/C=C/C 7a_100000730831_100102629194 [1,1,0,0,0,0|1,0,0]=3 5748 B13R0.336 C=CCCCCCCCOCC#CC 34a_100000730831_100000748600 [1,1,0,0,0,0|1,0,1]=4 5749 B13R0.336 C=CCCCCCCCOCC#CC 34a_100000761923_100012355270 [1,1,0,0,0,0|1,0,1]=4 5750 B13R0.336 C=CCCCCCCCOCC#CC 7a_100000730831_100000748600 [1,1,0,0,0,0|1,0,1]=4 5751 B13R0.336 C=CCCCCCCCOCC=CC 34a_100000730831_100000070051 [1,1,0,0,0,0|1,0,0]=3 5752 B13R0.336 C=CCCCCCCCOCC=CC 7a_100000730831_100000070051 [1,1,0,0,0,0|1,0,0]=3 5753 B13R0.336 C=CCCCCCCCOCCCC 34a_100000210227_100012355270 [1,1,0,0,0,0|1,0,1]=4 5754 B13R0.336 C=CCCCCCCCOCCCC 34a_100000730831_100000210210 [1,1,0,0,0,0|1,0,1]=4 5755 B13R0.336 C=CCCCCCCCOCCCC 7a_100000210227_100012355270 [1,1,0,0,0,0|1,0,1]=4 5756 B13R0.336 C=CCCCCCCCOCCCC 7a_100000730831_100000210211 [1,1,0,0,0,0|1,0,1]=4 5757 B13R0.336 C=CCCCCCCCOCCOC 34a_100000210237_100012355270 [1,1,0,0,0,0|0,0,1]=3 5758 B13R0.336 C=CCCCCCCCOCCOC 34a_100000730831_100011201679 [1,1,0,0,0,0|0,0,1]=3 5759 B13R0.336 C=CCCCCCCCOCCOC 7a_100000730831_100000233755 [1,1,0,0,0,0|0,0,1]=3 5760 B13R0.336 C=CCCCCCCCOCCON 34a_100000700252_100012355270 [1,1,0,0,0,0|1,0,1]=4 5761 B13R0.336 C=CCCCCCCCOCCSC 34a_100000230434_100012355270 [1,1,0,0,0,0|0,1,1]=4 5762 B13R0.336 C=CCCCCCCCOCCSC 34a_100000730831_100000212216 [1,1,0,0,0,0|0,1,1]=4 5763 B13R0.336 C=CCCCCCCCOCCSC 7a_100000230434_100012355270 [1,1,0,0,0,0|0,1,1]=4 5764 B13R0.336 C=CCCCCCCCOCCSC 7a_100000730831_100000212216 [1,1,0,0,0,0|0,1,1]=4 5765 B13R0.336 C=CCCCCCCCSC/C=C/C 62a_100012355270_100102629194 [1,1,0,0,0,0|1,0,0]=3 5766 B13R0.336 C=CCCCCCCCSC/C=C/C 62a_100102629194_100012355270 [1,1,0,0,0,0|1,0,0]=3 5767 B13R0.336 C=CCCCCCCCSCC#CC 62a_100000748600_100012355270 [1,1,0,0,0,0|1,0,1]=4 5768 B13R0.336 C=CCCCCCCCSCC#CC 62a_100012355270_100000748600 [1,1,0,0,0,0|1,0,1]=4 5769 B13R0.336 C=CCCCCCCCSCC=CC 62a_100000070051_100012355270 [1,1,0,0,0,0|1,0,0]=3 5770 B13R0.336 C=CCCCCCCCSCC=CC 62a_100012355270_100000070051 [1,1,0,0,0,0|1,0,0]=3 5771 B13R0.336 C=CCCCCCCCSCCCC 62a_100000210211_100012355270 [1,1,0,0,0,0|1,0,1]=4 5772 B13R0.336 C=CCCCCCCCSCCCC 62a_100012355270_100000210210 [1,1,0,0,0,0|1,0,1]=4 5773 B13R0.336 C=CCCCCCCCSCCOC 62a_100000233755_100012355270 [1,1,0,0,0,0|0,0,1]=3 5774 B13R0.336 C=CCCCCCCCSCCOC 62a_100012355270_100000233755 [1,1,0,0,0,0|0,0,1]=3 5775 B13R0.336 C=CCCCCCCCSCCSC 62a_100000212216_100012355270 [1,1,0,0,0,0|0,1,1]=4 5776 B13R0.336 C=CCCCCCCCSCCSC 62a_100012355270_100000751147 [1,1,0,0,0,0|0,1,1]=4 5777 B13R0.336 C=CCCCCCCCSCOCC 62a_100000739092_100012355270 [1,1,0,0,0,0|1,0,1]=4 5778 B13R0.336 C=CCCCCCCCSCOCC 62a_100012355270_100000739092 [1,1,0,0,0,0|1,0,1]=4 5779 B13R0.336 C=CCCCCCCNCCCCC 2230a_100000209983_100011215473 [1,1,0,0,0,0|1,0,1]=4 5780 B13R0.336 C=CCCCCCCNCCCOC 34a_100150723488_100011215473 [1,1,0,0,0,0|0,0,1]=3 5781 B13R0.336 C=CCCCCCCNCCCSC 2230a_100000749238_100011215473 [1,1,0,0,0,0|0,1,1]=4 5782 B13R0.336 C=CCCCCCCNCCOCC 2230a_102516460346_100011215473 [1,1,0,0,0,0|1,0,1]=4 5783 B13R0.336 C=CCCCCCCNCCOCC 34a_102516460346_100011215473 [1,1,0,0,0,0|1,0,1]=4 5784 B13R0.336 C=CCCCCCCNCCSCC 2230a_100000106463_100011215473 [1,1,0,0,0,0|2,0,0]=4 5785 B13R0.336 C=CCCCCCCOC/C=C\CC 34a_100016268518_100011215473 [1,1,0,0,0,0|1,0,1]=4 5786 B13R0.336 C=CCCCCCCOC/C=C\CC 34a_200011216477_100103147603 [1,1,0,0,0,0|1,0,1]=4 5787 B13R0.336 C=CCCCCCCOC/C=C\CC 7a_200011216477_100103147603 [1,1,0,0,0,0|1,0,1]=4 5788 B13R0.336 C=CCCCCCCOCC/C=C/C 34a_100016278192_100011215473 [1,1,0,0,0,0|1,0,0]=3 5789 B13R0.336 C=CCCCCCCOCCC#CC 34a_100000750427_100011215473 [1,1,0,0,0,0|1,0,1]=4 5790 B13R0.336 C=CCCCCCCOCCCCC 34a_100000210253_100011215473 [1,1,0,0,0,0|1,0,1]=4 5791 B13R0.336 C=CCCCCCCOCCCCC 34a_200011216477_100000718602 [1,1,0,0,0,0|1,0,1]=4 5792 B13R0.336 C=CCCCCCCOCCCCC 7a_100000210253_100011215473 [1,1,0,0,0,0|1,0,1]=4 5793 B13R0.336 C=CCCCCCCOCCCCC 7a_200011216477_100000210326 [1,1,0,0,0,0|1,0,1]=4 5794 B13R0.336 C=CCCCCCCOCCCNC 34a_100000213112_100011215473 [1,1,0,0,0,0|1,0,1]=4 5795 B13R0.336 C=CCCCCCCOCCCOC 34a_100000740835_100011215473 [1,1,0,0,0,0|0,0,1]=3 5796 B13R0.336 C=CCCCCCCOCCCOC 34a_200011216477_100000740836 [1,1,0,0,0,0|0,0,1]=3 5797 B13R0.336 C=CCCCCCCOCCCOC 7a_200011216477_100000740836 [1,1,0,0,0,0|0,0,1]=3 5798 B13R0.336 C=CCCCCCCOCCCSC 34a_100000690336_100011215473 [1,1,0,0,0,0|0,1,1]=4 5799 B13R0.336 C=CCCCCCCOCCCSC 7a_100000690336_100011215473 [1,1,0,0,0,0|0,1,1]=4 5800 B13R0.336 C=CCCCCCCOCCOCC 34a_100000210136_100011215473 [1,1,0,0,0,0|1,0,1]=4 5801 B13R0.336 C=CCCCCCCOCCOCC 34a_200011216477_100000210147 [1,1,0,0,0,0|1,0,1]=4 5802 B13R0.336 C=CCCCCCCOCCOCC 7a_100000210136_100011215473 [1,1,0,0,0,0|1,0,1]=4 5803 B13R0.336 C=CCCCCCCOCCOCC 7a_200011216477_100011215890 [1,1,0,0,0,0|1,0,1]=4 5804 B13R0.336 C=CCCCCCCOCCSCC 34a_100000212035_100011215473 [1,1,0,0,0,0|2,0,0]=4 5805 B13R0.336 C=CCCCCCCOCCSCC 34a_200011216477_100000757381 [1,1,0,0,0,0|2,0,0]=4 5806 B13R0.336 C=CCCCCCCOCCSCC 7a_100000212035_100011215473 [1,1,0,0,0,0|2,0,0]=4 5807 B13R0.336 C=CCCCCCCOCCSCC 7a_200011216477_100000757381 [1,1,0,0,0,0|2,0,0]=4 5808 B13R0.336 C=CCCCCCCSC/C=C\CC 62a_100011215473_100103147603 [1,1,0,0,0,0|1,0,1]=4 5809 B13R0.336 C=CCCCCCCSC/C=C\CC 62a_100103147603_100011215473 [1,1,0,0,0,0|1,0,1]=4 5810 B13R0.336 C=CCCCCCCSCCCCC 62a_100000210326_100011215473 [1,1,0,0,0,0|1,0,1]=4 5811 B13R0.336 C=CCCCCCCSCCCCC 62a_100011215473_100000210326 [1,1,0,0,0,0|1,0,1]=4 5812 B13R0.336 C=CCCCCCCSCCCOC 62a_100000709357_100011215473 [1,1,0,0,0,0|0,0,1]=3 5813 B13R0.336 C=CCCCCCCSCCCOC 62a_100011215473_100000709357 [1,1,0,0,0,0|0,0,1]=3 5814 B13R0.336 C=CCCCCCCSCCOCC 62a_100000210147_100011215473 [1,1,0,0,0,0|1,0,1]=4 5815 B13R0.336 C=CCCCCCCSCCOCC 62a_100011215473_100011215890 [1,1,0,0,0,0|1,0,1]=4 5816 B13R0.336 C=CCCCCCCSCCSCC 62a_100000757381_100011215473 [1,1,0,0,0,0|2,0,0]=4 5817 B13R0.336 C=CCCCCCCSCCSCC 62a_100011215473_100000757381 [1,1,0,0,0,0|2,0,0]=4 5818 B13R0.336 C=CCCCCCNCCCCCC 2230a_100000210581_100000700193 [1,1,0,0,0,0|1,0,1]=4 5819 B13R0.336 C=CCCCCCNCCCOCC 2230a_100000210961_100000700193 [1,1,0,0,0,0|1,0,1]=4 5820 B13R0.336 C=CCCCCCNCCCOCC 34a_100000210961_100000700193 [1,1,0,0,0,0|1,0,1]=4 5821 B13R0.336 C=CCCCCCOCC/C=C\CC 34a_100011216702_100015370543 [1,1,0,0,0,0|1,0,1]=4 5822 B13R0.336 C=CCCCCCOCC/C=C\CC 34a_100016288707_100000700193 [1,1,0,0,0,0|1,0,1]=4 5823 B13R0.336 C=CCCCCCOCC/C=C\CC 7a_100011216702_100015370543 [1,1,0,0,0,0|1,0,1]=4 5824 B13R0.336 C=CCCCCCOCC/C=C\CC 7a_100016288707_100000700193 [1,1,0,0,0,0|1,0,1]=4 5825 B13R0.336 C=CCCCCCOCCC=C=CC 34a_100011020354_100000700193 [1,1,0,0,0,0|2,0,0]=4 5826 B13R0.336 C=CCCCCCOCCCC=CC 34a_100020645299_100000700193 [1,1,0,0,0,0|1,0,0]=3 5827 B13R0.336 C=CCCCCCOCCCCCC 34a_100000210259_100000700193 [1,1,0,0,0,0|1,0,1]=4 5828 B13R0.336 C=CCCCCCOCCCCCC 34a_100011216702_100000210314 [1,1,0,0,0,0|1,0,1]=4 5829 B13R0.336 C=CCCCCCOCCCCCC 7a_100000210259_100000700193 [1,1,0,0,0,0|1,0,1]=4 5830 B13R0.336 C=CCCCCCOCCCCCC 7a_100011216702_100000210314 [1,1,0,0,0,0|1,0,1]=4 5831 B13R0.336 C=CCCCCCOCCCCOC 34a_100000740925_100000700193 [1,1,0,0,0,0|0,0,1]=3 5832 B13R0.336 C=CCCCCCOCCCCOC 34a_100011216702_100000755781 [1,1,0,0,0,0|0,0,1]=3 5833 B13R0.336 C=CCCCCCOCCCCOC 7a_100011216702_100000730899 [1,1,0,0,0,0|0,0,1]=3 5834 B13R0.336 C=CCCCCCOCCCCSC 34a_100011217163_100000700193 [1,1,0,0,0,0|0,1,1]=4 5835 B13R0.336 C=CCCCCCOCCCCSC 7a_100011217163_100000700193 [1,1,0,0,0,0|0,1,1]=4 5836 B13R0.336 C=CCCCCCOCCCOCC 34a_100000757476_100000700193 [1,1,0,0,0,0|1,0,1]=4 5837 B13R0.336 C=CCCCCCOCCCOCC 34a_100011216702_100012232248 [1,1,0,0,0,0|1,0,1]=4 5838 B13R0.336 C=CCCCCCOCCCOCC 7a_100000757476_100000700193 [1,1,0,0,0,0|1,0,1]=4 5839 B13R0.336 C=CCCCCCOCCCOCC 7a_100011216702_100012232248 [1,1,0,0,0,0|1,0,1]=4 5840 B13R0.336 C=CCCCCCOCCCSCC 34a_100011216438_100000700193 [1,1,0,0,0,0|2,0,0]=4 5841 B13R0.336 C=CCCCCCOCCCSCC 7a_100011216438_100000700193 [1,1,0,0,0,0|2,0,0]=4 5842 B13R0.336 C=CCCCCCSCC/C=C\CC 62a_100000700193_100015370543 [1,1,0,0,0,0|1,0,1]=4 5843 B13R0.336 C=CCCCCCSCC/C=C\CC 62a_100015370543_100000700193 [1,1,0,0,0,0|1,0,1]=4 5844 B13R0.336 C=CCCCCCSCCCCCC 62a_100000210314_100000700193 [1,1,0,0,0,0|1,0,1]=4 5845 B13R0.336 C=CCCCCCSCCCCCC 62a_100000700193_100000210757 [1,1,0,0,0,0|1,0,1]=4 5846 B13R0.336 C=CCCCCCSCCCCOC 62a_100000700193_100000730899 [1,1,0,0,0,0|0,0,1]=3 5847 B13R0.336 C=CCCCCCSCCCCOC 62a_100000730899_100000700193 [1,1,0,0,0,0|0,0,1]=3 5848 B13R0.336 C=CCCCCCSCCCOCC 62a_100000700193_100012232248 [1,1,0,0,0,0|1,0,1]=4 5849 B13R0.336 C=CCCCCCSCCCOCC 62a_100012232248_100000700193 [1,1,0,0,0,0|1,0,1]=4 5850 B13R0.336 C=CCCCCCSCOCCOC 62a_100000231047_100000700193 [1,1,0,0,0,0|1,0,1]=4 5851 B13R0.336 C=CCCCCCSCOCCOC 62a_100000700193_100000231047 [1,1,0,0,0,0|1,0,1]=4 5852 B13R0.336 C=CCCCCNCCCCCCC 2230a_100000229938_100011215482 [1,1,0,0,0,0|1,0,1]=4 5853 B13R0.336 C=CCCCCNCCCCCCC 2230a_100000703577_100000210681 [1,1,0,0,0,0|1,0,1]=4 5854 B13R0.336 C=CCCCCNCCCCCCC 34a_100000703577_100000210614 [1,1,0,0,0,0|1,0,1]=4 5855 B13R0.336 C=CCCCCNCCCCCOC 2230a_100000747528_100011215482 [1,1,0,0,0,0|0,0,1]=3 5856 B13R0.336 C=CCCCCNCCCCCOC 34a_100000747528_100011215482 [1,1,0,0,0,0|0,0,1]=3 5857 B13R0.336 C=CCCCCNCCOCCOC 2230a_100000703577_100000695917 [1,1,0,0,0,0|1,0,1]=4 5858 B13R0.336 C=CCCCCNCCOCCOC 2230a_100000745349_100011215482 [1,1,0,0,0,0|1,0,1]=4 5859 B13R0.336 C=CCCCCNCCOCCOC 34a_100000703577_100000695917 [1,1,0,0,0,0|1,0,1]=4 5860 B13R0.336 C=CCCCCNCCOCCOC 34a_100000745349_100011215482 [1,1,0,0,0,0|1,0,1]=4 5861 B13R0.336 C=CCCCCOCCC/C=C/CC 34a_100016287902_100011215482 [1,1,0,0,0,0|1,0,1]=4 5862 B13R0.336 C=CCCCCOCCC/C=C/CC 7a_100016287902_100011215482 [1,1,0,0,0,0|1,0,1]=4 5863 B13R0.336 C=CCCCCOCCCCCCC 34a_100000210272_100011215482 [1,1,0,0,0,0|1,0,1]=4 5864 B13R0.336 C=CCCCCOCCCCCCC 34a_100000766645_100000210614 [1,1,0,0,0,0|1,0,1]=4 5865 B13R0.336 C=CCCCCOCCCCCCC 7a_100000210272_100011215482 [1,1,0,0,0,0|1,0,1]=4 5866 B13R0.336 C=CCCCCOCCCCCCC 7a_100000766645_100000210614 [1,1,0,0,0,0|1,0,1]=4 5867 B13R0.336 C=CCCCCOCCCCCNC 34a_100000722520_100011215482 [1,1,0,0,0,0|1,0,1]=4 5868 B13R0.336 C=CCCCCOCCOCCOC 34a_100000766645_100000695917 [1,1,0,0,0,0|1,0,1]=4 5869 B13R0.336 C=CCCCCOCCOCCOC 34a_100011215163_100011215482 [1,1,0,0,0,0|1,0,1]=4 5870 B13R0.336 C=CCCCCOCCOCCOC 7a_100000766645_100000695917 [1,1,0,0,0,0|1,0,1]=4 5871 B13R0.336 C=CCCCCOCCOCCOC 7a_100011215163_100011215482 [1,1,0,0,0,0|1,0,1]=4 5872 B13R0.336 C=CCCCCSCCCCCCC 62a_100000210614_100011215482 [1,1,0,0,0,0|1,0,1]=4 5873 B13R0.336 C=CCCCCSCCCCCCC 62a_100011215482_100000210316 [1,1,0,0,0,0|1,0,1]=4 5874 B13R0.336 C=CCCCCSCCOCCOC 62a_100000695917_100011215482 [1,1,0,0,0,0|1,0,1]=4 5875 B13R0.336 C=CCCCCSCCOCCOC 62a_100011215482_100000695917 [1,1,0,0,0,0|1,0,1]=4 5876 B13R0.336 C=CCCCNCCCCCCCC 2230a_100000229939_100011713584 [1,1,0,0,0,0|1,0,1]=4 5877 B13R0.336 C=CCCCNCCCCCCCC 2230a_100000700776_100000210759 [1,1,0,0,0,0|1,0,1]=4 5878 B13R0.336 C=CCCCNCCCCCCCC 34a_100000229939_100000757094 [1,1,0,0,0,0|1,0,1]=4 5879 B13R0.336 C=CCCCNCCCCCCCC 34a_100000700776_100000210759 [1,1,0,0,0,0|1,0,1]=4 5880 B13R0.336 C=CCCCNCCCCCCOC 2230a_100000700776_100011998445 [1,1,0,0,0,0|0,0,1]=3 5881 B13R0.336 C=CCCCNCCCCCCOC 34a_100000700776_100011998445 [1,1,0,0,0,0|0,0,1]=3 5882 B13R0.336 C=CCCCNCCCOCCOC 2230a_100000206027_100011713584 [1,1,0,0,0,0|1,0,1]=4 5883 B13R0.336 C=CCCCNCCCOCCOC 2230a_100000700776_100011216529 [1,1,0,0,0,0|1,0,1]=4 5884 B13R0.336 C=CCCCNCCCOCCOC 34a_100000206027_100000757094 [1,1,0,0,0,0|1,0,1]=4 5885 B13R0.336 C=CCCCNCCCOCCOC 34a_100000700776_100011216529 [1,1,0,0,0,0|1,0,1]=4 5886 B13R0.336 C=CCCCOCCCC/C=C\CC 34a_100016287862_100000757094 [1,1,0,0,0,0|1,0,1]=4 5887 B13R0.336 C=CCCCOCCCC/C=C\CC 7a_100016287862_100000757094 [1,1,0,0,0,0|1,0,1]=4 5888 B13R0.336 C=CCCCOCCCCCCCC 34a_100000210232_100000757094 [1,1,0,0,0,0|1,0,1]=4 5889 B13R0.336 C=CCCCOCCCCCCCC 34a_100000758997_100000210759 [1,1,0,0,0,0|1,0,1]=4 5890 B13R0.336 C=CCCCOCCCCCCCC 7a_100000210232_100000757094 [1,1,0,0,0,0|1,0,1]=4 5891 B13R0.336 C=CCCCOCCCCCCCC 7a_100000758997_100000210759 [1,1,0,0,0,0|1,0,1]=4 5892 B13R0.336 C=CCCCOCCCCCCOC 34a_100000758997_100011998445 [1,1,0,0,0,0|0,0,1]=3 5893 B13R0.336 C=CCCCOCCCCCCOC 34a_200012092642_100000757094 [1,1,0,0,0,0|0,0,1]=3 5894 B13R0.336 C=CCCCOCCCCCCOC 7a_100000758997_100011998445 [1,1,0,0,0,0|0,0,1]=3 5895 B13R0.336 C=CCCCOCCCCCCOC 7a_200012092642_100000757094 [1,1,0,0,0,0|0,0,1]=3 5896 B13R0.336 C=CCCCOCCCOCCOC 34a_100000758997_100011216529 [1,1,0,0,0,0|1,0,1]=4 5897 B13R0.336 C=CCCCOCCCOCCOC 7a_100000758997_100011216529 [1,1,0,0,0,0|1,0,1]=4 5898 B13R0.336 C=CCCCSCCCCCCCC 62a_100000210759_100000757094 [1,1,0,0,0,0|1,0,1]=4 5899 B13R0.336 C=CCCCSCCCCCCCC 62a_100011713584_100000210317 [1,1,0,0,0,0|1,0,1]=4 5900 B13R0.336 C=CCCCSCCCCCCOC 62a_100011713584_100011998445 [1,1,0,0,0,0|0,0,1]=3 5901 B13R0.336 C=CCCCSCCCCCCOC 62a_100011998445_100000757094 [1,1,0,0,0,0|0,0,1]=3 5902 B13R0.336 C=CCCCSCCCOCCOC 62a_100011216529_100000757094 [1,1,0,0,0,0|1,0,1]=4 5903 B13R0.336 C=CCCCSCCCOCCOC 62a_100011713584_100011216529 [1,1,0,0,0,0|1,0,1]=4 5904 B13R0.336 C=CCCNCCCCC/C=C\CC 269862a_100015191253_100016288537 [1,1,0,0,0,0|1,0,1]=4 5905 B13R0.336 C=CCCNCCCCCCCCC 2230a_100000212291_100000754431 [1,1,0,0,0,0|1,0,1]=4 5906 B13R0.336 C=CCCNCCCCCCCCC 2230a_100015191253_100011214924 [1,1,0,0,0,0|1,0,1]=4 5907 B13R0.336 C=CCCNCCCCCCCCC 34a_100000212291_100000754431 [1,1,0,0,0,0|1,0,1]=4 5908 B13R0.336 C=CCCOCCCCC/C=C\CC 34a_100016268722_100000754431 [1,1,0,0,0,0|1,0,1]=4 5909 B13R0.336 C=CCCOCCCCC/C=C\CC 7a_100016268722_100000754431 [1,1,0,0,0,0|1,0,1]=4 5910 B13R0.336 C=CCCOCCCCCCCCC 34a_100000210712_100000754431 [1,1,0,0,0,0|1,0,1]=4 5911 B13R0.336 C=CCCOCCCCCCCCC 34a_100011205117_100011214924 [1,1,0,0,0,0|1,0,1]=4 5912 B13R0.336 C=CCCOCCCCCCCCC 7a_100000210712_100000754431 [1,1,0,0,0,0|1,0,1]=4 5913 B13R0.336 C=CCCOCCCOCCCOC 34a_200011215475_100000754431 [1,1,0,0,0,0|1,0,1]=4 5914 B13R0.336 C=CCCOCCCOCCCOC 7a_200011215475_100000754431 [1,1,0,0,0,0|1,0,1]=4 5915 B13R0.336 C=CCCSCCCCCCCCC 62a_100000754431_100000210670 [1,1,0,0,0,0|1,0,1]=4 5916 B13R0.336 C=CCNCCCCCCCCCC 2230a_100000684558_100000210623 [1,1,0,0,0,0|1,0,1]=4 5917 B13R0.336 C=CCNCCCCCCCCCC 2230a_100020586998_100000210320 [1,1,0,0,0,0|1,0,1]=4 5918 B13R0.336 C=CCNCCCCCCCCCC 34a_100000684558_100015514636 [1,1,0,0,0,0|1,0,1]=4 5919 B13R0.336 C=CCOCCCCCCCCCC 34a_100000210711_100015514636 [1,1,0,0,0,0|1,0,1]=4 5920 B13R0.336 C=CCOCCCCCCCCCC 34a_200000210373_100000210320 [1,1,0,0,0,0|1,0,1]=4 5921 B13R0.336 C=CCOCCCCCCCCCC 7a_100000210711_100015514636 [1,1,0,0,0,0|1,0,1]=4 5922 B13R0.336 C=CCSCCCCCCCCCC 62a_100000210623_100000210320 [1,1,0,0,0,0|1,0,1]=4 5923 B13R0.336 C=COCCCCOCCCCOC 34a_100000031558_100000755781 [1,1,0,0,0,0|1,0,1]=4 5924 B13R0.336 C=COCCCCOCCCCOC 7a_100000031558_100000730899 [1,1,0,0,0,0|1,0,1]=4 5925 B13R0.336 C=COCCOCCCCCCOC 34a_100000033082_100011998445 [1,1,0,0,0,0|1,0,1]=4 5926 B13R0.336 C=COCCOCCCCCCOC 34a_200012092642_100000039644 [1,1,0,0,0,0|1,0,1]=4 5927 B13R0.336 C=COCCOCCCCCCOC 7a_200012092642_100000039644 [1,1,0,0,0,0|1,0,1]=4 5928 B13R0.336 C=COCCSCCCCCCOC 62a_100000039644_100011998445 [1,1,0,0,0,0|1,0,1]=4 5929 B13R0.336 C=COCCSCCCCCCOC 62a_100011998445_100000039644 [1,1,0,0,0,0|1,0,1]=4 5930 B13R0.336 COCCCCCCOCCCC=O 7a_200012092642_200011292268 [1,1,0,0,0,0|1,0,1]=4 5931 B13R0.336 COCCCCCCSCCCC=O 62a_100011998445_200011292268 [1,1,0,0,0,0|1,0,1]=4 5932 B13R0.336 COCCCCCCSCCCC=O 62a_200011292268_100011998445 [1,1,0,0,0,0|1,0,1]=4 5933 B13R0.336 COCCCCCNCCCCC=O 2230a_100000747528_100000139335 [1,1,0,0,0,0|1,0,1]=4 5934 B13R0.336 COCCCCSCCCCCC=O 62a_100000139337_100000730899 [1,1,0,0,0,0|1,0,1]=4 5935 B13R0.336 COCCCCSCCCCCC=O 62a_100000730899_100000139337 [1,1,0,0,0,0|1,0,1]=4 5936 B13R0.338 C=CCCCC(=O)CCCCCOC 1458a_100011935119_100000757094 [1,1,0,0,0,0|0,0,2]=4 5937 B13R0.338 C=CCCCCCC(=O)CCCOC 1458a_100000741012_100000700193 [1,1,0,0,0,0|0,0,2]=4 5938 B13R0.338 C=CCCCCCC(=O)CCCOC 1458a_100011934241_100000740836 [1,1,0,0,0,0|0,0,2]=4 5939 B13R0.338 C=CCCCCCN(C)CCCOC 2230a_100000224831_100000700193 [1,1,0,0,0,0|1,0,1]=4 5940 B13R0.338 C=CCCCCCN(C)CCCOC 269982a_100000224831_100000700193 [1,1,0,0,0,0|1,0,1]=4 5941 B13R0.338 C=CCCCCOC(C)CCCOC 34a_200011539412_100011215482 [1,1,0,0,0,0|1,0,1]=4 5942 B13R0.338 C=CCCCCOC(C)CCCOC 7a_200011539412_100011215482 [1,1,0,0,0,0|1,0,1]=4 5943 B13R0.1 C=CCCCCC(=O)CCCC(=O)C 1458a_100011215552_100011215641 [1,1,0,0,0,0|0,0,1]=3 5944 B13R0.1 C=CCCCCC(=O)CCCC(=O)N 1458a_100011215552_100102525003 [1,1,0,0,0,0|1,0,1]=4 5945 B13R0.1 C=CCCCCC(=O)CCNC(=O)C 1458a_100000183196_100011215482 [1,1,0,0,0,0|1,0,1]=4 5946 B13R0.1 C=CCCCCC(=O)CCNC(=O)C 1458a_100011215552_100000189650 [1,1,0,0,0,0|1,0,1]=4 5947 B13R0.1 C=CCCCCC(=O)CCOC(=O)C 1458a_100011215552_100009814007 [1,1,0,0,0,0|1,0,1]=4 5948 B13R0.1 C=CCCCCC(=O)CCSC(=O)C 1458a_100000048949_100011215482 [1,1,0,0,0,0|1,0,1]=4 5949 B13R0.1 C=CCCCCN(C)CCCC(=O)C 269982a_100012000471_100011215641 [1,1,0,0,0,0|1,0,0]=3 5950 B13R0.1 C=CCCCCN(C)CCCC(=O)N 269982a_100012000471_100102525003 [1,1,0,0,0,0|2,0,0]=4 5951 B13R0.1 C=CCCCCN(C)CCCC(=O)O 269956a_100000719178_100011215482 [1,1,0,0,0,0|1,0,0]=3 5952 B13R0.1 C=CCCCCN(C)CCNC(=O)C 2230a_100012000471_100000189650 [1,1,0,0,0,0|2,0,0]=4 5953 B13R0.1 C=CCCCCN(C)CCNC(=O)C 269982a_100012000471_100000189650 [1,1,0,0,0,0|2,0,0]=4 5954 B13R0.1 C=CCCCCN(C)CCOC(=O)C 269982a_100012000471_100009814007 [1,1,0,0,0,0|2,0,0]=4 5955 B13R0.1 C=CCCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000757094 [1,1,0,0,0,0|1,0,1]=4 5956 B13R0.1 C=CCOCCC(=O)CCCC(=O)C 1458a_200011217002_100011215641 [1,1,0,0,0,0|1,0,1]=4 5957 B13R0.1 CN(CCCCC=O)CCCC(=O)O 269956a_100000719178_100000139335 [1,1,0,0,0,0|2,0,0]=4 5958 B13R0.88 C=CCC(=O)CCCCCNC(=O)C 1458a_100000183861_100000210623 [1,1,0,0,0,0|1,0,1]=4 5959 B13R0.88 C=CCC(=O)CCCCCOC(=O)C 1458a_100000210193_100000033007 [1,1,0,0,0,0|1,0,1]=4 5960 B13R0.88 C=CCC(C)COCCCCC(=O)C 34a_100009832082_100009817362 [1,1,0,0,0,0|1,0,0]=3 5961 B13R0.88 C=CCC(C)COCCCCC(=O)C 7a_100009832082_100000735457 [1,1,0,0,0,0|1,0,0]=3 5962 B13R0.88 C=CCC(C)COCCCOC(=O)C 34a_100009832082_100000042594 [1,1,0,0,0,0|2,0,0]=4 5963 B13R0.88 C=CCC(C)COCCCOC(=O)C 7a_100009832082_100000042594 [1,1,0,0,0,0|2,0,0]=4 5964 B13R0.88 C=CCC(C)COCCCSC(=O)C 34a_100009832082_100000038929 [1,1,0,0,0,0|2,0,0]=4 5965 B13R0.88 C=CCC(C)COCCCSC(=O)C 7a_100009832082_100000038929 [1,1,0,0,0,0|2,0,0]=4 5966 B13R0.88 C=CCN(C)CCCCCOC(=O)C 2230a_100000225617_100009813381 [1,1,0,0,0,0|2,0,0]=4 5967 B13R0.88 C=CCN(C)CCCCCOC(=O)C 269982a_100000225617_100000033007 [1,1,0,0,0,0|2,0,0]=4 5968 B13R0.88 C=CC[C@@H](C)OCCCCCC(=O)N 34a_100000731007_100009817443 [1,1,0,0,0,0|2,0,0]=4 5969 B13R0.88 C=CC[C@@H](C)OCCCCCC(=O)N 7a_100000731007_100009817443 [1,1,0,0,0,0|2,0,0]=4 5970 B13R0.88 C=CC[C@@H](C)OCCCCOC(=O)C 34a_100000731007_100000033659 [1,1,0,0,0,0|2,0,0]=4 5971 B13R0.88 C=CC[C@@H](C)OCCCCOC(=O)C 7a_100000731007_100000033659 [1,1,0,0,0,0|2,0,0]=4 5972 B13R0.88 C=CC[C@@H](C)OCCCCSC(=O)C 34a_100000731007_200010402107 [1,1,0,0,0,0|2,0,0]=4 5973 B13R0.88 C=CC[C@@H](C)OCCCCSC(=O)C 7a_100000731007_200010402107 [1,1,0,0,0,0|2,0,0]=4 5974 B13R0.88 C=CC[C@@H](N)COCCCCC(=O)C 34a_100020615467_100009817362 [1,1,0,0,0,0|1,0,0]=3 5975 B13R0.88 C=CC[C@@H](N)COCCCOC(=O)C 34a_100020615467_100000042594 [1,1,0,0,0,0|2,0,0]=4 5976 B13R0.88 C=CC[C@@H](N)COCCCSC(=O)C 34a_100020615467_100000038929 [1,1,0,0,0,0|2,0,0]=4 5977 B13R0.119 C=CCCC(=O)CCCCCC(=O)N 1458a_100000749702_100009817443 [1,1,0,0,0,0|1,0,1]=4 5978 B13R0.119 C=CCCC(=O)CCCCOC(=O)C 1458a_100000749702_100000033659 [1,1,0,0,0,0|1,0,1]=4 5979 B13R0.119 C=CCCC(=O)CCCCSC(=O)C 1458a_100000749702_200010402107 [1,1,0,0,0,0|1,0,1]=4 5980 B13R0.119 C=CCCC(C)NCCCCC(=O)N 270004a_100000696515_100000762624 [1,1,0,0,0,0|2,0,0]=4 5981 B13R0.119 C=CCCC(C)NCCCNC(=O)C 270004a_100000736810_100000762624 [1,1,0,0,0,0|2,0,0]=4 5982 B13R0.119 C=CCCC(C)OCCCCC(=O)C 34a_100000765329_100009817362 [1,1,0,0,0,0|1,0,0]=3 5983 B13R0.119 C=CCCC(C)OCCCCC(=O)C 7a_100000765329_100000735457 [1,1,0,0,0,0|1,0,0]=3 5984 B13R0.119 C=CCCC(C)OCCCOC(=O)C 34a_100000765329_100000042594 [1,1,0,0,0,0|2,0,0]=4 5985 B13R0.119 C=CCCC(C)OCCCOC(=O)C 7a_100000765329_100000042594 [1,1,0,0,0,0|2,0,0]=4 5986 B13R0.119 C=CCCC(C)OCCCSC(=O)C 34a_100000765329_100000038929 [1,1,0,0,0,0|2,0,0]=4 5987 B13R0.119 C=CCCC(C)OCCCSC(=O)C 7a_100000765329_100000038929 [1,1,0,0,0,0|2,0,0]=4 5988 B13R0.119 C=CCCN(C)CCCCCC(=O)N 2230a_100020639649_100009817443 [1,1,0,0,0,0|2,0,0]=4 5989 B13R0.119 C=CCCN(C)CCCCCC(=O)N 269982a_100020639649_100009817443 [1,1,0,0,0,0|2,0,0]=4 5990 B13R0.119 C=CCCN(C)CCCCOC(=O)C 269982a_100020639649_100000033659 [1,1,0,0,0,0|2,0,0]=4 5991 B13R0.119 C=CCCN(C)CCCCSC(=O)C 2230a_100020639649_200010402107 [1,1,0,0,0,0|2,0,0]=4 5992 B13R0.119 C=CCCN(C)CCCCSC(=O)C 269982a_100020639649_200010402107 [1,1,0,0,0,0|2,0,0]=4 5993 B13R0.150 C=CCCCCCCCC(=O)C(=C)C 1458a_100000185857_100012355270 [1,1,0,0,0,0|1,0,1]=4 5994 B13R0.150 C=CCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100011215473 [1,1,0,0,0,0|1,0,0]=3 5995 B13R0.150 C=CCCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100011215473 [1,1,0,0,0,0|2,0,0]=4 5996 B13R0.150 C=CCCCCCCN[C@H](C)C(=O)N 34a_100000119354_100011215473 [1,1,0,0,0,0|2,0,0]=4 5997 B13R0.150 C=CCCCCCCOC(C)C(=O)C 34a_100000212229_100011215473 [1,1,0,0,0,0|1,0,0]=3 5998 B13R0.150 C=CCCCCCCOC(C)C(=O)C 7a_200011216477_100000179758 [1,1,0,0,0,0|1,0,0]=3 5999 B13R0.150 C=CCCCCCCOC(C)C(=O)N 34a_200011216477_100000702099 [1,1,0,0,0,0|2,0,0]=4 6000 B13R0.150 C=CCCCCCCOC(C)C(=O)N 7a_200011216477_100000702099 [1,1,0,0,0,0|2,0,0]=4 6001 B13R0.150 C=CCCCCCCOC(F)C(=O)N 34a_200011216477_100009813875 [1,1,0,0,0,0|2,0,0]=4 6002 B13R0.150 C=CCCCCCCOC(F)C(=O)N 7a_200011216477_100009813875 [1,1,0,0,0,0|2,0,0]=4 6003 B13R0.150 C=CCCCCCCOC(F)C(=O)[O-] 34a_200011216477_100020610796 [1,1,0,0,0,0|1,0,1]=4 6004 B13R0.150 C=CCCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100011215473 [1,1,0,0,0,0|1,0,1]=4 6005 B13R0.150 C=CCCCCCCO[C@H](C)C(=O)N 34a_100000731257_100011215473 [1,1,0,0,0,0|2,0,0]=4 6006 B13R0.150 C=CCCCCCCO[C@H](C)C(=O)N 7a_100000731257_100011215473 [1,1,0,0,0,0|2,0,0]=4 6007 B13R0.150 C=CCCCCCCSC(C)C(=O)C 62a_100009814033_100011215473 [1,1,0,0,0,0|1,0,0]=3 6008 B13R0.150 C=CCCCCCCSC(C)C(=O)C 62a_100011215473_100009814033 [1,1,0,0,0,0|1,0,0]=3 6009 B13R0.150 C=CCCCCCCSC(C)C(=O)N 62a_100000702099_100011215473 [1,1,0,0,0,0|2,0,0]=4 6010 B13R0.150 C=CCCCCCCSC(C)C(=O)N 62a_100011215473_100000702099 [1,1,0,0,0,0|2,0,0]=4 6011 B13R0.150 C=CCCCCCCSC(F)C(=O)N 62a_100009813875_100011215473 [1,1,0,0,0,0|2,0,0]=4 6012 B13R0.150 C=CCCCCCCSC(F)C(=O)N 62a_100011215473_100009813875 [1,1,0,0,0,0|2,0,0]=4 6013 B13R0.150 C=CCCCCCCSC(F)C(=O)[O-] 62a_100011215473_100020610796 [1,1,0,0,0,0|1,0,1]=4 6014 B13R0.150 C=CCCCCCCSC(F)C(=O)[O-] 62a_100020610796_100011215473 [1,1,0,0,0,0|1,0,1]=4 6015 B13R0.150 C=CCCCCCNCC(C)C(=O)O 269956a_100000749485_100000700193 [1,1,0,0,0,0|1,0,0]=3 6016 B13R0.150 C=CCCCCCNCC(F)C(=O)O 269956a_100000084737_100000700193 [1,1,0,0,0,0|1,0,0]=3 6017 B13R0.150 C=CCCCCCOCC(=O)C(=O)C 34a_100011216702_100011261029 [1,1,0,0,0,0|1,0,1]=4 6018 B13R0.150 C=CCCCCCOCC(C)C(=O)C 34a_100000032740_100000700193 [1,1,0,0,0,0|1,0,0]=3 6019 B13R0.150 C=CCCCCCOCC(C)C(=O)C 7a_100000032740_100000700193 [1,1,0,0,0,0|1,0,0]=3 6020 B13R0.150 C=CCCCCCOC[C@H](N)C(=O)N 34a_100000729942_100000700193 [1,1,0,0,0,0|2,0,0]=4 6021 B13R0.150 C=CCCCCCSCC(=O)C(=O)C 62a_100000700193_100011261029 [1,1,0,0,0,0|1,0,1]=4 6022 B13R0.150 C=CCCCCCSCC(=O)C(=O)C 62a_100011261029_100000700193 [1,1,0,0,0,0|1,0,1]=4 6023 B13R0.150 CC(=O)C(C)COCCCCCC=O 7a_100000032740_100000139337 [1,1,0,0,0,0|2,0,0]=4 6024 B13R0.150 CC(CNCCCCCC=O)C(=O)O 269956a_100000749485_100000139337 [1,1,0,0,0,0|2,0,0]=4 6025 B13R0.150 O=CCCCCCNCC(F)C(=O)O 269956a_100000084737_100000139337 [1,1,0,0,0,0|2,0,0]=4 6026 B13R0.154 C=CCCCCCC(=O)CCC(=C)C 1458a_100011934241_100000730704 [1,1,0,0,0,0|1,0,1]=4 6027 B13R0.154 C=CCCCCCC(=O)CCC(=C)C 1458a_200000688413_100000700193 [1,1,0,0,0,0|1,0,1]=4 6028 B13R0.154 C=CCCCCCC(=O)CCC(=O)N 1458a_100011215257_100000700193 [1,1,0,0,0,0|1,0,1]=4 6029 B13R0.154 C=CCCCCCC(=O)CNC(=O)C 1458a_100000194580_100000700193 [1,1,0,0,0,0|1,0,1]=4 6030 B13R0.154 C=CCCCCCC(=O)COC(=O)C 1458a_100000183556_100000700193 [1,1,0,0,0,0|1,0,1]=4 6031 B13R0.154 C=CCCCCCC(=O)CSC(=O)C 1458a_100000049016_100000700193 [1,1,0,0,0,0|1,0,1]=4 6032 B13R0.154 C=CCCCCCN(C)CCC(=O)N 2230a_100000730477_100000700193 [1,1,0,0,0,0|2,0,0]=4 6033 B13R0.154 C=CCCCCNC(C)CCC(=C)C 270004a_100000703577_100011215600 [1,1,0,0,0,0|2,0,0]=4 6034 B13R0.154 C=CCCCCNC(C)COC(=O)C 270004a_100000703577_100000000629 [1,1,0,0,0,0|2,0,0]=4 6035 B13R0.154 C=CCCCNCC(C)CSC(=O)C 2230a_100000700776_200000116872 [1,1,0,0,0,0|2,0,0]=4 6036 B13R0.154 C=CCCCNCC(C)CSC(=O)C 34a_100000700776_200000116872 [1,1,0,0,0,0|2,0,0]=4 6037 B13R0.154 C=CCCCNCC(O)COC(=O)C 34a_100000700776_200000139349 [1,1,0,0,0,0|2,0,0]=4 6038 B13R0.154 C=CCCCOCC(C)CSC(=O)C 34a_100000758997_200000116872 [1,1,0,0,0,0|2,0,0]=4 6039 B13R0.154 C=CCCCOCC(C)CSC(=O)C 7a_100000758997_200000116872 [1,1,0,0,0,0|2,0,0]=4 6040 B13R0.154 C=CCCCOCC(O)COC(=O)C 34a_100000758997_200000139349 [1,1,0,0,0,0|2,0,0]=4 6041 B13R0.154 C=CCCCOCC(O)COC(=O)C 7a_100000758997_200000139349 [1,1,0,0,0,0|2,0,0]=4 6042 B13R0.154 C=CCCCSCC(C)CSC(=O)C 62a_100011713584_200000116872 [1,1,0,0,0,0|2,0,0]=4 6043 B13R0.154 C=CCCCSCC(C)CSC(=O)C 62a_200000116872_100000757094 [1,1,0,0,0,0|2,0,0]=4 6044 B13R0.154 C=CCCCSCC(O)COC(=O)C 62a_100011713584_200000139349 [1,1,0,0,0,0|2,0,0]=4 6045 B13R0.154 C=CCCCSCC(O)COC(=O)C 62a_200000139349_100000757094 [1,1,0,0,0,0|2,0,0]=4 6046 B13R0.179 C=C(Br)CCOCCCCCC(=O)N 34a_100009813270_100009817443 [1,1,0,0,0,0|2,0,0]=4 6047 B13R0.179 C=C(Br)CCOCCCCOC(=O)C 34a_100009813270_100000033659 [1,1,0,0,0,0|2,0,0]=4 6048 B13R0.179 C=C(Br)CCOCCCCSC(=O)C 34a_100009813270_200010402107 [1,1,0,0,0,0|2,0,0]=4 6049 B13R0.179 C=C(C)CCNCCCCNC(=O)C 2230a_200011368371_100000730704 [1,1,0,0,0,0|2,0,0]=4 6050 B13R0.179 C=C(C)CCNCCCCNC(=O)C 34a_200011368371_100000730704 [1,1,0,0,0,0|2,0,0]=4 6051 B13R0.179 C=C(C)CCOCCCCCC(=O)N 34a_100000123541_100000730704 [1,1,0,0,0,0|2,0,0]=4 6052 B13R0.179 C=C(C)CCOCCCCCC(=O)N 34a_100000764851_100009817443 [1,1,0,0,0,0|2,0,0]=4 6053 B13R0.179 C=C(C)CCOCCCCCC(=O)N 7a_100000123541_100000730704 [1,1,0,0,0,0|2,0,0]=4 6054 B13R0.179 C=C(C)CCOCCCCCC(=O)[O-] 7a_100102619762_100000730704 [1,1,0,0,0,0|1,0,1]=4 6055 B13R0.179 C=C(C)CCOCCCCOC(=O)C 34a_100000073216_100000730704 [1,1,0,0,0,0|2,0,0]=4 6056 B13R0.179 C=C(C)CCOCCCCOC(=O)C 34a_100000764851_100000033659 [1,1,0,0,0,0|2,0,0]=4 6057 B13R0.179 C=C(C)CCOCCCCOC(=O)C 7a_100000073216_100000730704 [1,1,0,0,0,0|2,0,0]=4 6058 B13R0.179 C=C(C)CCOCCCCSC(=O)C 34a_100000764851_200010402107 [1,1,0,0,0,0|2,0,0]=4 6059 B13R0.179 C=C(C)CCSCCCCCC(=O)N 62a_100000730704_100009817443 [1,1,0,0,0,0|2,0,0]=4 6060 B13R0.179 C=C(C)CCSCCCCCC(=O)N 62a_100009817443_100000730704 [1,1,0,0,0,0|2,0,0]=4 6061 B13R0.179 C=C(C)CCSCCCCOC(=O)C 62a_100000033659_100000730704 [1,1,0,0,0,0|2,0,0]=4 6062 B13R0.179 C=C(C)CCSCCCCOC(=O)C 62a_100000730704_100000033659 [1,1,0,0,0,0|2,0,0]=4 6063 B13R0.179 C=C(C)CCSCCCCSC(=O)C 62a_100000730704_200010402107 [1,1,0,0,0,0|2,0,0]=4 6064 B13R0.179 C=C(C)CCSCCCCSC(=O)C 62a_200010402107_100000730704 [1,1,0,0,0,0|2,0,0]=4 6065 B13R0.179 C=C(C)CNCCCCCNC(=O)C 2230a_200012022750_100000748629 [1,1,0,0,0,0|2,0,0]=4 6066 B13R0.179 C=C(C)CNCCCCCNC(=O)C 34a_200012022750_100000748629 [1,1,0,0,0,0|2,0,0]=4 6067 B13R0.179 C=C(C)COCCCCCOC(=O)C 34a_100000210245_100000033007 [1,1,0,0,0,0|2,0,0]=4 6068 B13R0.179 C=C(C)CSCCCCCOC(=O)C 62a_100000033007_100000211660 [1,1,0,0,0,0|2,0,0]=4 6069 B13R0.179 C=C(C)CSCCCCCOC(=O)C 62a_100000748629_100000033007 [1,1,0,0,0,0|2,0,0]=4 6070 B13R0.179 C=C(F)CNCCCCCNC(=O)C 2230a_200012022750_100009893438 [1,1,0,0,0,0|2,0,0]=4 6071 B13R0.179 C=C(F)CNCCCCCNC(=O)C 34a_200012022750_100009893438 [1,1,0,0,0,0|2,0,0]=4 6072 B13R0.179 C=C(F)COCCCCCOC(=O)C 34a_200010262243_100000033007 [1,1,0,0,0,0|2,0,0]=4 6073 B13R0.179 C=C(F)CSCCCCCOC(=O)C 62a_100000033007_100000042424 [1,1,0,0,0,0|2,0,0]=4 6074 B13R0.179 C=C(F)CSCCCCCOC(=O)C 62a_100000042424_100000033007 [1,1,0,0,0,0|2,0,0]=4 6075 B13R0.179 CC(=O)CCCCNCCCC(=O)N 34a_100000739312_100009817362 [1,1,0,0,0,0|2,0,0]=4 6076 B13R0.179 CC(=O)CCCCOCCCC(=O)C 34a_100000759063_100009817362 [1,1,0,0,0,0|1,0,1]=4 6077 B13R0.179 CC(=O)CCCCOCCCC(=O)C 7a_100000759063_100000735457 [1,1,0,0,0,0|1,0,1]=4 6078 B13R0.179 CC(=O)CCCCSCCCC(=O)C 62a_100000735457_100011215641 [1,1,0,0,0,0|1,0,1]=4 6079 B13R0.179 CC(=O)CCCCSCCCC(=O)C 62a_100011215641_100000735457 [1,1,0,0,0,0|1,0,1]=4 6080 B13R0.179 CC(=O)CCCCSCCCC(=O)N 62a_100000735457_100102525003 [1,1,0,0,0,0|2,0,0]=4 6081 B13R0.179 CC(=O)CCCCSCCCC(=O)N 62a_100102525003_100000735457 [1,1,0,0,0,0|2,0,0]=4 6082 B13R0.179 CC(=O)CCCNCCCCC(=O)N 34a_100000696515_100000685027 [1,1,0,0,0,0|2,0,0]=4 6083 B13R0.179 CC(=O)CCCOCCCCC(=O)N 34a_100012022536_100000685027 [1,1,0,0,0,0|2,0,0]=4 6084 B13R0.179 CC(=O)CCCOCCCCC(=O)N 7a_100012022536_100011215641 [1,1,0,0,0,0|2,0,0]=4 6085 B13R0.179 CC(=O)CCOCCCCCC(=O)N 34a_100000759926_100009817443 [1,1,0,0,0,0|2,0,0]=4 6086 B13R0.179 CC(=O)CCOCCCCCC(=O)N 7a_100000123541_100000053229 [1,1,0,0,0,0|2,0,0]=4 6087 B13R0.179 CC(=O)CCOCCCCCC(=O)N 7a_100000759926_100009817443 [1,1,0,0,0,0|2,0,0]=4 6088 B13R0.179 CC(=O)CCOCCCCCC(=O)[O-] 7a_100102619762_100000053229 [1,1,0,0,0,0|2,0,0]=4 6089 B13R0.179 CC(=O)CCSCCCCCC(=O)N 62a_100000053229_100009817443 [1,1,0,0,0,0|2,0,0]=4 6090 B13R0.179 CC(=O)CCSCCCCCC(=O)N 62a_100009817443_100000053229 [1,1,0,0,0,0|2,0,0]=4 6091 B13R0.188 C=CCCCC(=O)CCCCC(=O)C 1458a_100000766728_100000735457 [1,1,0,0,0,0|0,0,1]=3 6092 B13R0.188 C=CCCCC(=O)CCCNC(=O)C 1458a_100000194741_100000757094 [1,1,0,0,0,0|1,0,1]=4 6093 B13R0.188 C=CCCCC(=O)CCCOC(=O)C 1458a_100000766728_100000042594 [1,1,0,0,0,0|1,0,1]=4 6094 B13R0.188 C=CCCCC(=O)CCCSC(=O)C 1458a_100000766728_100000038929 [1,1,0,0,0,0|1,0,1]=4 6095 B13R0.188 C=CCSCC(=O)CCCCC(=O)C 1458a_100000230395_100000735457 [1,1,0,0,0,0|1,0,1]=4 6096 B13R0.202 C=CC(=O)OCCCCCCC(=O)C 1458a_100000070787_100009894100 [1,1,0,0,0,0|1,0,1]=4 6097 B13R0.202 C=CC(C)COCCCCCC(=O)N 34a_100011215527_100009817443 [1,1,0,0,0,0|2,0,0]=4 6098 B13R0.202 C=CC(C)COCCCCCC(=O)N 7a_100011215527_100009817443 [1,1,0,0,0,0|2,0,0]=4 6099 B13R0.202 C=CC(C)COCCCCOC(=O)C 34a_100011215527_100000033659 [1,1,0,0,0,0|2,0,0]=4 6100 B13R0.202 C=CC(C)COCCCCOC(=O)C 7a_100011215527_100000033659 [1,1,0,0,0,0|2,0,0]=4 6101 B13R0.202 C=CC(C)COCCCCSC(=O)C 34a_100011215527_200010402107 [1,1,0,0,0,0|2,0,0]=4 6102 B13R0.202 C=CC(C)COCCCCSC(=O)C 7a_100011215527_200010402107 [1,1,0,0,0,0|2,0,0]=4 6103 B13R0.202 C=CC(C)OCCCCCOC(=O)C 34a_100000695699_100000033007 [1,1,0,0,0,0|2,0,0]=4 6104 B13R0.202 C=CC(C)SCCCCCOC(=O)C 62a_100011215867_100000033007 [1,1,0,0,0,0|2,0,0]=4 6105 B13R0.202 C=CC(O)CNCCCCNC(=O)C 2230a_200011368371_100000730141 [1,1,0,0,0,0|2,0,0]=4 6106 B13R0.202 C=CC(O)CNCCCCNC(=O)C 34a_200011368371_100000730141 [1,1,0,0,0,0|2,0,0]=4 6107 B13R0.202 C=CC(O)COCCCCCC(=O)N 34a_100000123541_100000730141 [1,1,0,0,0,0|2,0,0]=4 6108 B13R0.202 C=CC(O)COCCCCCC(=O)N 7a_100000123541_100000730141 [1,1,0,0,0,0|2,0,0]=4 6109 B13R0.202 C=CC(O)COCCCCCC(=O)[O-] 7a_100102619762_100000730141 [1,1,0,0,0,0|1,0,1]=4 6110 B13R0.202 C=CC(O)COCCCCOC(=O)C 34a_100000073216_100000730141 [1,1,0,0,0,0|2,0,0]=4 6111 B13R0.202 C=CC(O)COCCCCOC(=O)C 7a_100000073216_100000730141 [1,1,0,0,0,0|2,0,0]=4 6112 B13R0.202 C=CC(O)CSCCCCCC(=O)N 62a_100000730141_100009817443 [1,1,0,0,0,0|2,0,0]=4 6113 B13R0.202 C=CC(O)CSCCCCCC(=O)N 62a_100009817443_100000730141 [1,1,0,0,0,0|2,0,0]=4 6114 B13R0.202 C=CC(O)CSCCCCOC(=O)C 62a_100000033659_100000730141 [1,1,0,0,0,0|2,0,0]=4 6115 B13R0.202 C=CC(O)CSCCCCOC(=O)C 62a_100000730141_100000033659 [1,1,0,0,0,0|2,0,0]=4 6116 B13R0.202 C=CC(O)CSCCCCSC(=O)C 62a_100000730141_200010402107 [1,1,0,0,0,0|2,0,0]=4 6117 B13R0.202 C=CC(O)CSCCCCSC(=O)C 62a_200010402107_100000730141 [1,1,0,0,0,0|2,0,0]=4 6118 B13R0.202 C=C[C@H](N)COCCCCCC(=O)N 34a_100016989147_100009817443 [1,1,0,0,0,0|2,0,0]=4 6119 B13R0.202 C=C[C@H](N)COCCCCOC(=O)C 34a_100016989147_100000033659 [1,1,0,0,0,0|2,0,0]=4 6120 B13R0.202 C=C[C@H](N)COCCCCSC(=O)C 34a_100016989147_200010402107 [1,1,0,0,0,0|2,0,0]=4 6121 B13R0.280 C=CCCCCCNCCS(=O)(=O)C 2230a_100000740961_100000700193 [1,1,0,0,0,0|2,0,0]=4 6122 B13R0.280 C=CCCCCCNCCS(=O)(=O)C 34a_100000740961_100000700193 [1,1,0,0,0,0|2,0,0]=4 6123 B13R0.280 C=CCCCCCOCCS(=O)(=O)C 34a_100000211924_100000700193 [1,1,0,0,0,0|2,0,0]=4 6124 B13R0.280 C=CCCCCCOCCS(=O)(=O)C 34a_100011216702_100000731031 [1,1,0,0,0,0|2,0,0]=4 6125 B13R0.280 C=CCCCCCOCCS(=O)(=O)C 7a_100000211924_100000700193 [1,1,0,0,0,0|2,0,0]=4 6126 B13R0.280 C=CCCCCCOCCS(=O)(=O)C 7a_100011216702_100000230027 [1,1,0,0,0,0|2,0,0]=4 6127 B13R0.280 C=CCCCCCSCCS(=O)(=O)C 62a_100000700193_100000230027 [1,1,0,0,0,0|2,0,0]=4 6128 B13R0.280 C=CCCCCCSCCS(=O)(=O)C 62a_100000731031_100000700193 [1,1,0,0,0,0|2,0,0]=4 6129 B13R0.280 C=CCCCCNCCCS(=O)(=O)C 2230a_100000703577_100000754308 [1,1,0,0,0,0|2,0,0]=4 6130 B13R0.280 C=CCCCCNCCCS(=O)(=O)C 2230a_100000742409_100011215482 [1,1,0,0,0,0|2,0,0]=4 6131 B13R0.280 C=CCCCCNCCCS(=O)(=O)C 34a_100000703577_100000754308 [1,1,0,0,0,0|2,0,0]=4 6132 B13R0.280 C=CCCCCNCCCS(=O)(=O)C 34a_100000742409_100011215482 [1,1,0,0,0,0|2,0,0]=4 6133 B13R0.280 C=CCCCCOCCCS(=O)(=O)C 34a_100000689940_100011215482 [1,1,0,0,0,0|2,0,0]=4 6134 B13R0.280 C=CCCCCOCCCS(=O)(=O)C 34a_100000766645_100000754308 [1,1,0,0,0,0|2,0,0]=4 6135 B13R0.280 C=CCCCCOCCCS(=O)(=O)C 7a_100000689940_100011215482 [1,1,0,0,0,0|2,0,0]=4 6136 B13R0.280 C=CCCCCOCCCS(=O)(=O)C 7a_100000766645_100000754308 [1,1,0,0,0,0|2,0,0]=4 6137 B13R0.280 C=CCCCCSCCCS(=O)(=O)C 62a_100000754308_100011215482 [1,1,0,0,0,0|2,0,0]=4 6138 B13R0.280 C=CCCCCSCCCS(=O)(=O)C 62a_100011215482_100000754308 [1,1,0,0,0,0|2,0,0]=4 6139 B13R0.335 C=CCCCCCCC(=O)CC(=C)C 1458a_100011809334_100000748629 [1,1,0,0,0,0|1,0,1]=4 6140 B13R0.335 C=CCCCCCCC(=O)CC(=O)N 1458a_100011809334_100000187820 [1,1,0,0,0,0|1,0,1]=4 6141 B13R0.335 C=CCCCCCCC(=O)CC(=O)N 1458a_100134613110_100011215473 [1,1,0,0,0,0|1,0,1]=4 6142 B13R0.335 C=CCCCCCCC(=O)CC(=O)[O-] 1458a_100011809334_100020667443 [1,1,0,0,0,0|0,0,2]=4 6143 B13R0.335 C=CCCCCCCN(C)CC(=C)C 2230a_100000225649_100011215473 [1,1,0,0,0,0|2,0,0]=4 6144 B13R0.335 C=CCCCCCCN(C)CC(=C)C 269982a_100000225649_100011215473 [1,1,0,0,0,0|2,0,0]=4 6145 B13R0.335 C=CCCCCCCN(C)CC(=O)N 2230a_100000739694_100011215473 [1,1,0,0,0,0|2,0,0]=4 6146 B13R0.335 C=CCCCCCCN(C)CC(=O)O 269956a_100000746989_100011215473 [1,1,0,0,0,0|1,0,0]=3 6147 B13R0.335 C=CCCCCCSC(C)OC(=O)C 62a_100000700193_100009818208 [1,1,0,0,0,0|2,0,0]=4 6148 B13R0.335 C=CCCCCCSC(C)OC(=O)C 62a_100009818208_100000700193 [1,1,0,0,0,0|2,0,0]=4 6149 B13R0.335 C=CCCCCNCC(O)CC(=O)O 269956a_100011218706_100011215482 [1,1,0,0,0,0|1,0,0]=3 6150 B13R0.335 O=CCCCCNCC(O)CC(=O)O 269956a_100011218706_100000139335 [1,1,0,0,0,0|2,0,0]=4 6151 B13R0.87 C=CCC(=O)CCCCCC(=O)OC 1458a_100000210193_100009816466 [1,1,0,0,0,0|0,0,1]=3 6152 B13R0.87 C=CCC(=O)CCCCCC(=O)OC 1458a_100009848860_100000210623 [1,1,0,0,0,0|0,0,1]=3 6153 B13R0.87 C=CCC(=O)NCCCCC(=O)OC 188690a_100000746077_100000210193 [1,1,0,0,0,0|1,0,1]=4 6154 B13R0.87 C=CCC(C)COCCCC(=O)NC 34a_100009832082_100000741757 [1,1,0,0,0,0|2,0,0]=4 6155 B13R0.87 C=CCC(C)COCCCC(=O)NC 7a_100009832082_100000741757 [1,1,0,0,0,0|2,0,0]=4 6156 B13R0.87 C=CCC(C)COCCCC(=O)OC 34a_100009832082_100000742333 [1,1,0,0,0,0|1,0,0]=3 6157 B13R0.87 C=CCC(C)COCCCC(=O)OC 7a_100009832082_100011218270 [1,1,0,0,0,0|1,0,0]=3 6158 B13R0.87 C=CCN(C)CCCCCC(=O)OC 2230a_100000225617_100009816466 [1,1,0,0,0,0|1,0,0]=3 6159 B13R0.87 C=CCN(C)CCCCCC(=O)OC 269982a_100000225617_100009816466 [1,1,0,0,0,0|1,0,0]=3 6160 B13R0.87 C=CC[C@@H](C)OCCCCC(=O)OC 34a_100000731007_100000204269 [1,1,0,0,0,0|1,0,0]=3 6161 B13R0.87 C=CC[C@@H](C)OCCCCC(=O)OC 7a_100000731007_100000204269 [1,1,0,0,0,0|1,0,0]=3 6162 B13R0.87 C=CC[C@@H](C)OCCOCC(=O)OC 34a_100000731007_100000090808 [1,1,0,0,0,0|2,0,0]=4 6163 B13R0.87 C=CC[C@@H](C)OCCOCC(=O)OC 7a_100000731007_100000090808 [1,1,0,0,0,0|2,0,0]=4 6164 B13R0.87 C=CC[C@@H](N)COCCCC(=O)NC 34a_100020615467_100000741757 [1,1,0,0,0,0|2,0,0]=4 6165 B13R0.87 C=CC[C@@H](N)COCCCC(=O)OC 34a_100020615467_100000742333 [1,1,0,0,0,0|1,0,0]=3 6166 B13R0.87 CCCC(=O)CCCCCC(=O)OC 1458a_100000211992_100009816466 [1,1,0,0,0,0|0,0,2]=4 6167 B13R0.87 CCCC(=O)CCCCCC(=O)OC 1458a_100009848860_100000210303 [1,1,0,0,0,0|0,0,2]=4 6168 B13R0.87 CCCC(C)CCCOCC(=O)OC 34a_100011713154_100000747449 [1,1,0,0,0,0|1,0,1]=4 6169 B13R0.87 CCCC(C)CCCOCC(=O)OC 7a_100011713154_100000747449 [1,1,0,0,0,0|1,0,1]=4 6170 B13R0.87 CCCC(C)CCOCCC(=O)OC 34a_100011217855_100000742370 [1,1,0,0,0,0|1,0,1]=4 6171 B13R0.87 CCCC(C)CCOCCC(=O)OC 7a_100011217855_100000204255 [1,1,0,0,0,0|1,0,1]=4 6172 B13R0.87 CCCC(C)COCCCC(=O)OC 34a_100000688023_100000742333 [1,1,0,0,0,0|1,0,1]=4 6173 B13R0.87 CCCC(C)COCCCC(=O)OC 7a_100000688023_100011218270 [1,1,0,0,0,0|1,0,1]=4 6174 B13R0.87 CCCC(C)CSCCCC(=O)OC 62a_100011216630_100011218270 [1,1,0,0,0,0|1,0,1]=4 6175 B13R0.87 CCCC(C)CSCCCC(=O)OC 62a_100011218270_100011216630 [1,1,0,0,0,0|1,0,1]=4 6176 B13R0.87 CCCC(C)NCCCCC(=O)OC 2230a_100000741246_100000204269 [1,1,0,0,0,0|1,0,1]=4 6177 B13R0.87 CCCC(C)OCCCCC(=O)OC 34a_100000059025_100000766640 [1,1,0,0,0,0|1,0,1]=4 6178 B13R0.87 CCCC(C)OCCCCC(=O)OC 34a_100000764384_100000204269 [1,1,0,0,0,0|1,0,1]=4 6179 B13R0.87 CCCC(C)OCCCCC(=O)OC 7a_100000059025_100000766640 [1,1,0,0,0,0|1,0,1]=4 6180 B13R0.87 CCCC(C)OCCCCC(=O)OC 7a_100000764384_100000204269 [1,1,0,0,0,0|1,0,1]=4 6181 B13R0.87 CCCC(C)SCCCCC(=O)OC 62a_100000204269_100000766640 [1,1,0,0,0,0|1,0,1]=4 6182 B13R0.87 CCCC(C)SCCCCC(=O)OC 62a_100000766640_100000204269 [1,1,0,0,0,0|1,0,1]=4 6183 B13R0.87 CCCN(C)CCCCCC(=O)OC 2230a_100000747261_100009816466 [1,1,0,0,0,0|1,0,1]=4 6184 B13R0.87 CCCN(C)CCCCCC(=O)OC 269982a_100000747261_100009816466 [1,1,0,0,0,0|1,0,1]=4 6185 B13R0.87 CCC[C@H](N)CCOCCC(=O)OC 34a_100015193777_100000742370 [1,1,0,0,0,0|1,0,1]=4 6186 B13R0.87 CCC[C@H](N)COCCCC(=O)OC 34a_100000732646_100000742333 [1,1,0,0,0,0|1,0,1]=4 6187 B13R0.87 COC(=O)CCCCCC(=O)CCF 1458a_100009848860_100011217306 [1,1,0,0,0,0|1,0,1]=4 6188 B13R0.87 COC(=O)CCCCCC(=O)CCO 1458a_100009848860_100000211926 [1,1,0,0,0,0|1,0,1]=4 6189 B13R0.87 COC(=O)CCCCCC(=O)CCO 1458a_100011216618_100009816466 [1,1,0,0,0,0|1,0,1]=4 6190 B13R0.87 COC(=O)CCCCCN(C)CCO 2230a_100000210263_100009816466 [1,1,0,0,0,0|2,0,0]=4 6191 B13R0.87 COC(=O)CCCCCN(C)CCO 269982a_100000210263_100009816466 [1,1,0,0,0,0|2,0,0]=4 6192 B13R0.87 COC(=O)CCCCN[C@H](C)CCO 2230a_100000706166_100000204269 [1,1,0,0,0,0|2,0,0]=4 6193 B13R0.87 COC(=O)CCCCN[C@H](C)CCO 34a_100000706166_100000204269 [1,1,0,0,0,0|2,0,0]=4 6194 B13R0.87 COC(=O)CCCCOC(C)CCBr 34a_100012276601_100000204269 [1,1,0,0,0,0|2,0,0]=4 6195 B13R0.87 COC(=O)CCCCOC(C)CCO 34a_100000059025_100009893172 [1,1,0,0,0,0|2,0,0]=4 6196 B13R0.87 COC(=O)CCCCOC(C)CCO 7a_100000059025_100009893172 [1,1,0,0,0,0|2,0,0]=4 6197 B13R0.87 COC(=O)CCCCSC(C)CCO 62a_100000204269_100009893172 [1,1,0,0,0,0|2,0,0]=4 6198 B13R0.87 COC(=O)CCCCSC(C)CCO 62a_100009893172_100000204269 [1,1,0,0,0,0|2,0,0]=4 6199 B13R0.87 COC(=O)CCCOCC(C)CCN 34a_106354213184_100000742333 [1,1,0,0,0,0|2,0,0]=4 6200 B13R0.113 C=CCCC(=O)CCCCC(=O)OC 1458a_100000695723_100000754431 [1,1,0,0,0,0|0,0,1]=3 6201 B13R0.113 C=CCCC(=O)CCCCC(=O)OC 1458a_100000749702_100000204269 [1,1,0,0,0,0|0,0,1]=3 6202 B13R0.113 C=CCCC(=O)CCCNC(=O)OC 1458a_100000753017_100000754431 [1,1,0,0,0,0|1,0,1]=4 6203 B13R0.113 C=CCCC(=O)CCOCC(=O)OC 1458a_100000749702_100000090808 [1,1,0,0,0,0|1,0,1]=4 6204 B13R0.113 C=CCCC(=O)NCCCC(=O)OC 188690a_100000184769_100000749702 [1,1,0,0,0,0|1,0,1]=4 6205 B13R0.113 C=CCCC(C)NCCCC(=O)NC 270004a_100000740002_100000762624 [1,1,0,0,0,0|2,0,0]=4 6206 B13R0.113 C=CCCC(C)OCCCC(=O)NC 34a_100000765329_100000741757 [1,1,0,0,0,0|2,0,0]=4 6207 B13R0.113 C=CCCC(C)OCCCC(=O)NC 7a_100000765329_100000741757 [1,1,0,0,0,0|2,0,0]=4 6208 B13R0.113 C=CCCC(C)OCCCC(=O)OC 34a_100000765329_100000742333 [1,1,0,0,0,0|1,0,0]=3 6209 B13R0.113 C=CCCC(C)OCCCC(=O)OC 7a_100000765329_100011218270 [1,1,0,0,0,0|1,0,0]=3 6210 B13R0.113 C=CCCN(C)CCCCC(=O)OC 2230a_100020639649_100000204269 [1,1,0,0,0,0|1,0,0]=3 6211 B13R0.113 C=CCCN(C)CCCCC(=O)OC 269982a_100020639649_100000204269 [1,1,0,0,0,0|1,0,0]=3 6212 B13R0.113 C=CCCN(C)CCOCC(=O)OC 2230a_100020639649_100000090808 [1,1,0,0,0,0|2,0,0]=4 6213 B13R0.113 C=CCNC(=O)CCCCC(=O)OC 1626a_100020586998_100000695723 [1,1,0,0,0,0|1,0,1]=4 6214 B13R0.113 C=CCNC(=O)CCCCC(=O)OC 240690a_100020586998_100000695723 [1,1,0,0,0,0|1,0,1]=4 6215 B13R0.113 C=CCNC(=O)CCCCC(=O)OC 527a_100020586998_100000695723 [1,1,0,0,0,0|1,0,1]=4 6216 B13R0.113 CCCCC(=O)CCCCC(=O)OC 1458a_100000210183_100000204269 [1,1,0,0,0,0|0,0,2]=4 6217 B13R0.113 CCCCC(=O)CCCCC(=O)OC 1458a_100000695723_100000210211 [1,1,0,0,0,0|0,0,2]=4 6218 B13R0.113 CCCCC(C)COCCC(=O)OC 34a_100011995851_100000742370 [1,1,0,0,0,0|1,0,1]=4 6219 B13R0.113 CCCCC(C)COCCC(=O)OC 7a_100011995851_100000204255 [1,1,0,0,0,0|1,0,1]=4 6220 B13R0.113 CCCCC(C)NCCCC(=O)OC 2230a_100000126638_100011218270 [1,1,0,0,0,0|1,0,1]=4 6221 B13R0.113 CCCCC(C)OCCCC(=O)OC 34a_100000687866_100000742333 [1,1,0,0,0,0|1,0,1]=4 6222 B13R0.113 CCCCC(C)OCCCC(=O)OC 7a_100000687866_100011218270 [1,1,0,0,0,0|1,0,1]=4 6223 B13R0.113 CCCCC(C)SCCCC(=O)OC 62a_100011218270_200011215066 [1,1,0,0,0,0|1,0,1]=4 6224 B13R0.113 CCCCC(C)SCCCC(=O)OC 62a_200011215066_100011218270 [1,1,0,0,0,0|1,0,1]=4 6225 B13R0.113 CCCCN(C)CCCCC(=O)OC 2230a_100000207549_100000204269 [1,1,0,0,0,0|1,0,1]=4 6226 B13R0.113 CCCCN(C)CCCCC(=O)OC 269982a_100000207549_100000204269 [1,1,0,0,0,0|1,0,1]=4 6227 B13R0.113 CCCC[C@H](N)COCCC(=O)OC 34a_100011934283_100000742370 [1,1,0,0,0,0|1,0,1]=4 6228 B13R0.113 COC(=O)CCCCC(=O)CCCF 1458a_100000695723_100011934791 [1,1,0,0,0,0|1,0,1]=4 6229 B13R0.113 COC(=O)CCCCC(=O)CCCO 1458a_100000695723_100011215043 [1,1,0,0,0,0|1,0,1]=4 6230 B13R0.113 COC(=O)CCCCN(C)CCCO 2230a_100000213112_100000204269 [1,1,0,0,0,0|2,0,0]=4 6231 B13R0.113 COC(=O)CCCCN(C)CCCO 269982a_100000213112_100000204269 [1,1,0,0,0,0|2,0,0]=4 6232 B13R0.113 COC(=O)CCCOC(C)CCCCl 34a_200000718107_100000742333 [1,1,0,0,0,0|2,0,0]=4 6233 B13R0.113 COC(=O)CCCOC(C)CCCCl 7a_200000718107_100011218270 [1,1,0,0,0,0|2,0,0]=4 6234 B13R0.113 COC(=O)CCNC[C@H](C)CCCO 2230a_100160569302_100000204255 [1,1,0,0,0,0|2,0,0]=4 6235 B13R0.113 COC(=O)CCNC[C@H](C)CCCO 34a_100160569302_100000742370 [1,1,0,0,0,0|2,0,0]=4 6236 B13R0.194 C=CCCCC(=O)CCCC(=O)NC 1458a_100000766728_100000741757 [1,1,0,0,0,0|1,0,1]=4 6237 B13R0.194 C=CCCCC(=O)CCCC(=O)OC 1458a_100000239890_100000757094 [1,1,0,0,0,0|0,0,1]=3 6238 B13R0.194 C=CCCCC(=O)CCCC(=O)OC 1458a_100000766728_100011218270 [1,1,0,0,0,0|0,0,1]=3 6239 B13R0.194 C=CCCCC(=O)CSCC(=O)OC 1458a_100000191316_100000757094 [1,1,0,0,0,0|1,0,1]=4 6240 B13R0.194 C=CCCCC(=O)NCCC(=O)OC 188690a_100000683876_100000766728 [1,1,0,0,0,0|1,0,1]=4 6241 B13R0.194 C=CCCCN(C)CCCC(=O)OC 269982a_100000739225_100000757094 [1,1,0,0,0,0|1,0,0]=3 6242 B13R0.194 C=CCCNC(=O)CCCC(=O)OC 11a_100015191253_100000239890 [1,1,0,0,0,0|1,0,1]=4 6243 B13R0.194 C=CCCNC(=O)CCCC(=O)OC 1626a_100015191253_100000239890 [1,1,0,0,0,0|1,0,1]=4 6244 B13R0.194 C=CCCNC(=O)CCCC(=O)OC 240690a_100015191253_100000239890 [1,1,0,0,0,0|1,0,1]=4 6245 B13R0.194 C=CCCNC(=O)CCCC(=O)OC 527a_100015191253_100000239890 [1,1,0,0,0,0|1,0,1]=4 6246 B13R0.194 C=CCSCC(=O)CCCC(=O)OC 1458a_100000230395_100011218270 [1,1,0,0,0,0|1,0,1]=4 6247 B13R0.194 C=COCCC(=O)CCCC(=O)OC 1458a_100000239890_100000039644 [1,1,0,0,0,0|1,0,1]=4 6248 B13R0.194 C=COCCN(C)CCCC(=O)OC 269982a_100000739225_100000039644 [1,1,0,0,0,0|2,0,0]=4 6249 B13R0.194 CCCCCC(=O)CCCC(=O)OC 1458a_100000212188_100011218270 [1,1,0,0,0,0|0,0,2]=4 6250 B13R0.194 CCCCCC(=O)CCCC(=O)OC 1458a_100000239890_100000210326 [1,1,0,0,0,0|0,0,2]=4 6251 B13R0.194 CCCCCC(C)NCCC(=O)OC 2230a_100000211957_100000204255 [1,1,0,0,0,0|1,0,1]=4 6252 B13R0.194 CCCCCC(C)OCCC(=O)OC 34a_100011215632_100000742370 [1,1,0,0,0,0|1,0,1]=4 6253 B13R0.194 CCCCCC(C)OCCC(=O)OC 7a_100011215632_100000204255 [1,1,0,0,0,0|1,0,1]=4 6254 B13R0.194 CCCCCC(C)SCCC(=O)OC 62a_100000204255_200011218191 [1,1,0,0,0,0|1,0,1]=4 6255 B13R0.194 CCCCCC(C)SCCC(=O)OC 62a_200011218191_100000204255 [1,1,0,0,0,0|1,0,1]=4 6256 B13R0.194 CCCCCC(O)CCCC(=O)NC 1626a_100102657272_100020618878 [1,1,0,0,0,0|1,0,1]=4 6257 B13R0.194 CCCCCC(O)CCCC(=O)NC 240690a_100102657272_100020618878 [1,1,0,0,0,0|1,0,1]=4 6258 B13R0.194 CCCCCC(O)CCCC(=O)NC 527a_100102657272_100020618878 [1,1,0,0,0,0|1,0,1]=4 6259 B13R0.194 CCCCCN(C)CCCC(=O)OC 2230a_100000223495_100011218270 [1,1,0,0,0,0|1,0,1]=4 6260 B13R0.194 CCCCCN(C)CCCC(=O)OC 269982a_100000223495_100011218270 [1,1,0,0,0,0|1,0,1]=4 6261 B13R0.194 CCCCCN(C)CCCC(=O)OC 269982a_100000739225_100000210215 [1,1,0,0,0,0|1,0,1]=4 6262 B13R0.194 COC(=O)CCCC(=O)CCCCF 1458a_100000239890_100000729493 [1,1,0,0,0,0|1,0,1]=4 6263 B13R0.194 COC(=O)CCCC(=O)CCCCO 1458a_100000239890_100000210776 [1,1,0,0,0,0|1,0,1]=4 6264 B13R0.194 COC(=O)CCCC(=O)CCCCO 1458a_100000695505_100011218270 [1,1,0,0,0,0|1,0,1]=4 6265 B13R0.194 COC(=O)CCCN(C)CCCC=O 269982a_100000739225_200011292268 [1,1,0,0,0,0|2,0,0]=4 6266 B13R0.194 COC(=O)CCCN(C)CCCCF 269982a_100000739225_100000729493 [1,1,0,0,0,0|2,0,0]=4 6267 B13R0.194 COC(=O)CCCN(C)CCCCO 2230a_100000717598_100011218270 [1,1,0,0,0,0|2,0,0]=4 6268 B13R0.194 COC(=O)CCCN(C)CCCCO 269982a_100000717598_100011218270 [1,1,0,0,0,0|2,0,0]=4 6269 B13R0.194 COC(=O)CCCN(C)CCCCO 269982a_100000739225_100000210776 [1,1,0,0,0,0|2,0,0]=4 6270 B13R0.194 COC(=O)COC[C@@H](N)CCCCN 34a_100016993712_100000747449 [1,1,0,0,0,0|2,0,0]=4 6271 B13R0.201 C=CC(=O)CCCCCCC(=O)OC 1458a_100000185746_100009815986 [1,1,0,0,0,0|0,0,1]=3 6272 B13R0.201 C=CC(C)COCCCCC(=O)OC 34a_100011215527_100000204269 [1,1,0,0,0,0|1,0,0]=3 6273 B13R0.201 C=CC(C)COCCCCC(=O)OC 7a_100011215527_100000204269 [1,1,0,0,0,0|1,0,0]=3 6274 B13R0.201 C=CC(C)COCCOCC(=O)OC 34a_100011215527_100000090808 [1,1,0,0,0,0|2,0,0]=4 6275 B13R0.201 C=CC(C)COCCOCC(=O)OC 7a_100011215527_100000090808 [1,1,0,0,0,0|2,0,0]=4 6276 B13R0.201 C=CC(C)OCCCCCC(=O)OC 34a_100000695699_100009816466 [1,1,0,0,0,0|1,0,0]=3 6277 B13R0.201 C=CC(C)SCCCCCC(=O)OC 62a_100011215867_100009816466 [1,1,0,0,0,0|1,0,0]=3 6278 B13R0.201 C=CC(O)COCCCCC(=O)OC 34a_100000059025_100000730141 [1,1,0,0,0,0|1,0,0]=3 6279 B13R0.201 C=CC(O)COCCCCC(=O)OC 7a_100000059025_100000730141 [1,1,0,0,0,0|1,0,0]=3 6280 B13R0.201 C=CC(O)CSCCCCC(=O)OC 62a_100000204269_100000730141 [1,1,0,0,0,0|1,0,0]=3 6281 B13R0.201 C=CC(O)CSCCCCC(=O)OC 62a_100000730141_100000204269 [1,1,0,0,0,0|1,0,0]=3 6282 B13R0.201 C=CC(O)CSCCOCC(=O)OC 62a_100000090808_100000730141 [1,1,0,0,0,0|2,0,0]=4 6283 B13R0.201 C=CC(O)CSCCOCC(=O)OC 62a_100000730141_100000090808 [1,1,0,0,0,0|2,0,0]=4 6284 B13R0.201 C=C[C@H](N)COCCCCC(=O)OC 34a_100016989147_100000204269 [1,1,0,0,0,0|1,0,0]=3 6285 B13R0.201 C=C[C@H](N)COCCOCC(=O)OC 34a_100016989147_100000090808 [1,1,0,0,0,0|2,0,0]=4 6286 B13R0.201 CCC(=O)CCCCCCC(=O)OC 1458a_100000036694_100000210202 [1,1,0,0,0,0|0,0,2]=4 6287 B13R0.201 CCC(=O)CCCCCCC(=O)OC 1458a_100000210414_100009815986 [1,1,0,0,0,0|0,0,2]=4 6288 B13R0.201 CCC(C)CCCOCCC(=O)OC 7a_100011216074_100000204255 [1,1,0,0,0,0|1,0,1]=4 6289 B13R0.201 CCC(C)CCNCCCC(=O)OC 2230a_100020591266_100011218270 [1,1,0,0,0,0|1,0,1]=4 6290 B13R0.201 CCC(C)CCOCCCC(=O)OC 7a_100011215188_100011218270 [1,1,0,0,0,0|1,0,1]=4 6291 B13R0.201 CCC(C)CNCCCCC(=O)OC 2230a_100020588543_100000204269 [1,1,0,0,0,0|1,0,1]=4 6292 B13R0.201 CCC(C)COCCCCC(=O)OC 34a_100000059025_100000748023 [1,1,0,0,0,0|1,0,1]=4 6293 B13R0.201 CCC(C)COCCCCC(=O)OC 7a_100000059025_100000748023 [1,1,0,0,0,0|1,0,1]=4 6294 B13R0.201 CCC(C)CSCCCCC(=O)OC 62a_100000204269_100000748023 [1,1,0,0,0,0|1,0,1]=4 6295 B13R0.201 CCC(C)CSCCCCC(=O)OC 62a_100000748023_100000204269 [1,1,0,0,0,0|1,0,1]=4 6296 B13R0.201 CCC(C)NCCCCCC(=O)OC 2230a_100000209981_100009816466 [1,1,0,0,0,0|1,0,1]=4 6297 B13R0.201 CCC(C)OCCCCCC(=O)OC 34a_100000074720_100011215416 [1,1,0,0,0,0|1,0,1]=4 6298 B13R0.201 CCC(C)OCCCCCC(=O)OC 7a_100000074720_100000758301 [1,1,0,0,0,0|1,0,1]=4 6299 B13R0.201 CCC(C)OCCCCCC(=O)OC 7a_100000210228_100009816466 [1,1,0,0,0,0|1,0,1]=4 6300 B13R0.201 CCC(C)SCCCCCC(=O)OC 62a_100000758301_100009816466 [1,1,0,0,0,0|1,0,1]=4 6301 B13R0.201 CCC(C)SCCCCCC(=O)OC 62a_100009816466_100000758301 [1,1,0,0,0,0|1,0,1]=4 6302 B13R0.201 CCC(O)CNCCCCC(=O)OC 2230a_100011218483_100000204269 [1,1,0,0,0,0|1,0,1]=4 6303 B13R0.201 CCC(O)COCCCCC(=O)OC 34a_100000059025_100011218378 [1,1,0,0,0,0|1,0,1]=4 6304 B13R0.201 CCC(O)COCCCCC(=O)OC 7a_100000059025_100011218378 [1,1,0,0,0,0|1,0,1]=4 6305 B13R0.201 CCC(O)CSCCCCC(=O)OC 62a_100000204269_100011218378 [1,1,0,0,0,0|1,0,1]=4 6306 B13R0.201 CCC(O)CSCCCCC(=O)OC 62a_100011218378_100000204269 [1,1,0,0,0,0|1,0,1]=4 6307 B13R0.201 CCN(C)CCCCCCC(=O)OC 2230a_100000225621_100009815986 [1,1,0,0,0,0|1,0,1]=4 6308 B13R0.201 CCN(C)CCCCCCC(=O)OC 269982a_100000225621_100009815986 [1,1,0,0,0,0|1,0,1]=4 6309 B13R0.201 CC[C@H](C)COCCCCC(=O)OC 34a_100000059025_100009816398 [1,1,0,0,0,0|1,0,1]=4 6310 B13R0.201 CC[C@H](C)COCCCCC(=O)OC 7a_100000059025_100009816398 [1,1,0,0,0,0|1,0,1]=4 6311 B13R0.201 CC[C@H](C)COCCCCC(=O)OC 7a_100009816381_100000204269 [1,1,0,0,0,0|1,0,1]=4 6312 B13R0.201 CC[C@H](C)CSCCCCC(=O)OC 62a_100000204269_100009816398 [1,1,0,0,0,0|1,0,1]=4 6313 B13R0.201 CC[C@H](C)CSCCCCC(=O)OC 62a_100009816398_100000204269 [1,1,0,0,0,0|1,0,1]=4 6314 B13R0.201 COC(=O)CCCCCCC(=O)CF 1458a_100000036694_100015361967 [1,1,0,0,0,0|1,0,1]=4 6315 B13R0.201 COC(=O)CCCCCCC(=O)CO 1458a_100000210174_100009815986 [1,1,0,0,0,0|1,0,1]=4 6316 B13R0.201 COC(=O)CCCCCN[C@H](C)CO 2230a_100000737577_100009816466 [1,1,0,0,0,0|2,0,0]=4 6317 B13R0.201 COC(=O)CCCCCOC(C)CF 34a_100016041109_100009816466 [1,1,0,0,0,0|2,0,0]=4 6318 B13R0.201 COC(=O)CCCCCOC(C)CF 7a_100016041109_100009816466 [1,1,0,0,0,0|2,0,0]=4 6319 B13R0.201 COC(=O)CCCCCOC(C)CN 34a_100000210904_100009816466 [1,1,0,0,0,0|2,0,0]=4 6320 B13R0.201 COC(=O)CCCCCOC(C)CO 34a_100000074720_100012180447 [1,1,0,0,0,0|2,0,0]=4 6321 B13R0.201 COC(=O)CCCCCOC(C)CO 7a_100000074720_100012180447 [1,1,0,0,0,0|2,0,0]=4 6322 B13R0.201 COC(=O)CCCCCSC(C)CO 62a_100012180447_100009816466 [1,1,0,0,0,0|2,0,0]=4 6323 B13R0.201 COC(=O)CCCCCS[C@H](C)CO 62a_100009816466_100016084084 [1,1,0,0,0,0|2,0,0]=4 6324 B13R0.201 COC(=O)CCCCCS[C@H](C)CO 62a_100016084084_100009816466 [1,1,0,0,0,0|2,0,0]=4 6325 B13R0.201 COC(=O)CCCCNCC(C)CO 34a_100000744482_100000204269 [1,1,0,0,0,0|2,0,0]=4 6326 B13R0.201 COC(=O)CCCCNC[C@@H](F)CO 34a_100015665980_100000204269 [1,1,0,0,0,0|2,0,0]=4 6327 B13R0.201 COC(=O)CCCCNC[C@H](O)CO 2230a_100020644852_100000204269 [1,1,0,0,0,0|2,0,0]=4 6328 B13R0.201 COC(=O)CCCCOCC(C)CN 34a_100000744482_100000204269 [1,1,0,0,0,0|2,0,0]=4 6329 B13R0.201 COC(=O)CCCCOCC(Cl)CCl 34a_100000033668_100000204269 [1,1,0,0,0,0|2,0,0]=4 6330 B13R0.201 COC(=O)CCCCOCC(O)CO 34a_100000059025_100011219619 [1,1,0,0,0,0|2,0,0]=4 6331 B13R0.201 COC(=O)CCCCOCC(O)CO 7a_100000059025_100011219619 [1,1,0,0,0,0|2,0,0]=4 6332 B13R0.201 COC(=O)CCCCOC[C@@H](C)CO 34a_100000059025_100000059175 [1,1,0,0,0,0|2,0,0]=4 6333 B13R0.201 COC(=O)CCCCOC[C@@H](C)CO 7a_100000059025_100000059175 [1,1,0,0,0,0|2,0,0]=4 6334 B13R0.201 COC(=O)CCCCOC[C@@H](O)CF 34a_100000059025_100015614560 [1,1,0,0,0,0|2,0,0]=4 6335 B13R0.201 COC(=O)CCCCOC[C@@H](O)CF 7a_100000059025_100015614560 [1,1,0,0,0,0|2,0,0]=4 6336 B13R0.201 COC(=O)CCCCOC[C@@H](O)CO 34a_100000059025_100009815848 [1,1,0,0,0,0|2,0,0]=4 6337 B13R0.201 COC(=O)CCCCOC[C@@H](O)CO 7a_100000059025_100009815848 [1,1,0,0,0,0|2,0,0]=4 6338 B13R0.201 COC(=O)CCCCOC[C@H](F)CN 34a_100015665980_100000204269 [1,1,0,0,0,0|2,0,0]=4 6339 B13R0.201 COC(=O)CCCCSCC(O)CO 62a_100000204269_100011219619 [1,1,0,0,0,0|2,0,0]=4 6340 B13R0.201 COC(=O)CCCCSCC(O)CO 62a_100011219619_100000204269 [1,1,0,0,0,0|2,0,0]=4 6341 B13R0.201 COC(=O)CCCCSC[C@@H](C)CO 62a_100000059175_100000204269 [1,1,0,0,0,0|2,0,0]=4 6342 B13R0.201 COC(=O)CCCCSC[C@@H](C)CO 62a_100000204269_100000059175 [1,1,0,0,0,0|2,0,0]=4 6343 B13R0.201 COC(=O)CCCCSC[C@@H](O)CF 62a_100000204269_100015614560 [1,1,0,0,0,0|2,0,0]=4 6344 B13R0.201 COC(=O)CCCCSC[C@@H](O)CF 62a_100015614560_100000204269 [1,1,0,0,0,0|2,0,0]=4 6345 B13R0.201 COC(=O)CCCCSC[C@@H](O)CO 62a_100000204269_100009815848 [1,1,0,0,0,0|2,0,0]=4 6346 B13R0.201 COC(=O)CCCCSC[C@@H](O)CO 62a_100009815848_100000204269 [1,1,0,0,0,0|2,0,0]=4 6347 B13R0.201 COC(=O)CCCNCCC(C)CO 2230a_106354213184_100011218270 [1,1,0,0,0,0|2,0,0]=4 6348 B13R0.201 COC(=O)CCCNCCC(C)CO 34a_106354213184_100000742333 [1,1,0,0,0,0|2,0,0]=4 6349 B13R0.201 COC(=O)CCOCCC[C@@H](C)CN 34a_100160569302_100000742370 [1,1,0,0,0,0|2,0,0]=4 6350 B13R0.274 C=CCCCCCC(=O)CC(=O)CC 1458a_100011934241_100000747405 [1,1,0,0,0,0|1,0,1]=4 6351 B13R0.274 C=CCCCCCC(=O)CC(=O)NC 1458a_100011934241_100000183359 [1,1,0,0,0,0|1,0,1]=4 6352 B13R0.274 C=CCCCCCC(=O)CC(=O)OC 1458a_100000211351_100000700193 [1,1,0,0,0,0|0,0,1]=3 6353 B13R0.274 C=CCCCCCC(=O)CC(=O)OC 1458a_100011934241_100000747449 [1,1,0,0,0,0|0,0,1]=3 6354 B13R0.274 C=CCCCCCN(C)CC(=O)NC 2230a_100000189611_100000700193 [1,1,0,0,0,0|2,0,0]=4 6355 B13R0.274 C=CCCCCCN(C)CC(=O)OC 2230a_100000198492_100000700193 [1,1,0,0,0,0|1,0,0]=3 6356 B13R0.274 C=CCCCCNC(=O)CC(=O)OC 240690a_100000703577_100000211351 [1,1,0,0,0,0|1,0,1]=4 6357 B13R0.274 C=CCCCCNC(C)CC(=O)OC 2230a_100000703577_100009817358 [1,1,0,0,0,0|1,0,0]=3 6358 B13R0.274 C=CCCCCNC(C)CC(=O)OC 34a_100000703577_100009817358 [1,1,0,0,0,0|1,0,0]=3 6359 B13R0.274 C=CCCCCOC(C)CC(=O)OC 34a_100000766645_100009817358 [1,1,0,0,0,0|1,0,0]=3 6360 B13R0.274 C=CCCCCOC(C)CC(=O)OC 7a_100000766645_100009817358 [1,1,0,0,0,0|1,0,0]=3 6361 B13R0.274 C=CCCCCSC(C)CC(=O)OC 62a_100009817358_100011215482 [1,1,0,0,0,0|1,0,0]=3 6362 B13R0.274 C=CCCCCSC(C)CC(=O)OC 62a_100011215482_100009817358 [1,1,0,0,0,0|1,0,0]=3 6363 B13R0.274 C=CCCCNC[C@H](O)CC(=O)OC 34a_100000700776_100000754131 [1,1,0,0,0,0|1,0,0]=3 6364 B13R0.274 C=CCCCOC[C@H](O)CC(=O)OC 34a_100000758997_100000754131 [1,1,0,0,0,0|1,0,0]=3 6365 B13R0.274 C=CCCCOC[C@H](O)CC(=O)OC 7a_100000758997_100000754131 [1,1,0,0,0,0|1,0,0]=3 6366 B13R0.274 C=CCCCSCC(=O)CC(=O)OC 62a_100000210525_100000757094 [1,1,0,0,0,0|1,0,1]=4 6367 B13R0.274 C=CCCCSCC(=O)CC(=O)OC 62a_100011713584_100000210525 [1,1,0,0,0,0|1,0,1]=4 6368 B13R0.274 C=CCCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000757094 [1,1,0,0,0,0|1,0,0]=3 6369 B13R0.274 C=CCCCSC[C@H](O)CC(=O)OC 62a_100011713584_100000754131 [1,1,0,0,0,0|1,0,0]=3 6370 B13R0.274 C=CCOCCOC(C)CC(=O)OC 34a_100000037705_100009817358 [1,1,0,0,0,0|2,0,0]=4 6371 B13R0.274 C=CCOCCOC(C)CC(=O)OC 7a_100000037705_100009817358 [1,1,0,0,0,0|2,0,0]=4 6372 B13R0.274 C=COCCCNC(C)CC(=O)OC 2230a_100000210767_100009817358 [1,1,0,0,0,0|2,0,0]=4 6373 B13R0.274 C=COCCCNC(C)CC(=O)OC 34a_100000210767_100009817358 [1,1,0,0,0,0|2,0,0]=4 6374 B13R0.274 C=COCCOC[C@H](O)CC(=O)OC 34a_100000033082_100000754131 [1,1,0,0,0,0|2,0,0]=4 6375 B13R0.274 C=COCCSC[C@H](O)CC(=O)OC 62a_100000039644_100000754131 [1,1,0,0,0,0|2,0,0]=4 6376 B13R0.274 C=COCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000039644 [1,1,0,0,0,0|2,0,0]=4 6377 B13R0.274 CCCCCCCC(=O)CC(=O)OC 1458a_100000211351_100000210614 [1,1,0,0,0,0|0,0,2]=4 6378 B13R0.274 CCCCCCCC(=O)CC(=O)OC 1458a_100000211969_100000747449 [1,1,0,0,0,0|0,0,2]=4 6379 B13R0.274 CCCCCCCC(O)CC(=O)CC 1458a_200011667753_100000210202 [1,1,0,0,0,0|1,0,1]=4 6380 B13R0.274 CCCCCCCC(O)CC(=O)NC 1626a_100102657272_200011667753 [1,1,0,0,0,0|1,0,1]=4 6381 B13R0.274 CCCCCCCC(O)CC(=O)NC 240690a_100102657272_200011667753 [1,1,0,0,0,0|1,0,1]=4 6382 B13R0.274 CCCCCCCN(C)CC(=O)OC 2230a_100000198492_100000210681 [1,1,0,0,0,0|1,0,1]=4 6383 B13R0.274 CCCCCCCN(C)CC(=O)OC 2230a_100000228206_100000747449 [1,1,0,0,0,0|1,0,1]=4 6384 B13R0.274 CCCCCCCN(C)CC(=O)OC 269982a_100000228206_100000747449 [1,1,0,0,0,0|1,0,1]=4 6385 B13R0.274 CCCCCCNC(C)CC(=O)OC 2230a_100000210581_100009817358 [1,1,0,0,0,0|1,0,1]=4 6386 B13R0.274 CCCCCCOC(C)CC(=O)OC 34a_100000210259_100009817358 [1,1,0,0,0,0|1,0,1]=4 6387 B13R0.274 CCCCCCOC(C)CC(=O)OC 7a_100000210259_100009817358 [1,1,0,0,0,0|1,0,1]=4 6388 B13R0.274 CCCCCCSC(C)CC(=O)OC 62a_100000210314_100009817358 [1,1,0,0,0,0|1,0,1]=4 6389 B13R0.274 CCCCCCSC(C)CC(=O)OC 62a_100009817358_100000210757 [1,1,0,0,0,0|1,0,1]=4 6390 B13R0.274 CCCCCOC[C@H](O)CC(=O)OC 34a_100000210253_100000754131 [1,1,0,0,0,0|1,0,1]=4 6391 B13R0.274 CCCCCOC[C@H](O)CC(=O)OC 7a_100000210253_100000754131 [1,1,0,0,0,0|1,0,1]=4 6392 B13R0.274 CCCCCSC[C@H](O)CC(=O)OC 62a_100000210326_100000754131 [1,1,0,0,0,0|1,0,1]=4 6393 B13R0.274 CCCCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000210326 [1,1,0,0,0,0|1,0,1]=4 6394 B13R0.274 COC(=O)CC(=O)CCCCCCF 1458a_100000211351_100015922095 [1,1,0,0,0,0|1,0,1]=4 6395 B13R0.274 COC(=O)CC(=O)CCCCCCO 1458a_100000211351_100000766143 [1,1,0,0,0,0|1,0,1]=4 6396 B13R0.274 COC(=O)CC(=O)CCCCCCO 1458a_100011996774_100000747449 [1,1,0,0,0,0|1,0,1]=4 6397 B13R0.274 COC(=O)CC(C)NCCCCCO 2230a_100000762737_100009817358 [1,1,0,0,0,0|2,0,0]=4 6398 B13R0.274 COC(=O)CC(C)NCCCCCO 34a_100000762737_100009817358 [1,1,0,0,0,0|2,0,0]=4 6399 B13R0.274 COC(=O)CC(C)OCCCCCBr 34a_100000746331_100009817358 [1,1,0,0,0,0|2,0,0]=4 6400 B13R0.274 COC(=O)CC(C)OCCCCCBr 7a_100000746331_100009817358 [1,1,0,0,0,0|2,0,0]=4 6401 B13R0.274 COC(=O)CC(C)OCCCCCCl 34a_100000746330_100009817358 [1,1,0,0,0,0|2,0,0]=4 6402 B13R0.274 COC(=O)CC(C)OCCCCCCl 7a_100000746330_100009817358 [1,1,0,0,0,0|2,0,0]=4 6403 B13R0.274 COC(=O)CC(C)OCCCCCI 34a_200012148887_100009817358 [1,1,0,0,0,0|2,0,0]=4 6404 B13R0.274 COC(=O)CC(C)OCCCCCI 7a_200012148887_100009817358 [1,1,0,0,0,0|2,0,0]=4 6405 B13R0.274 COC(=O)CC(C)OCCCCCN 34a_100000762737_100009817358 [1,1,0,0,0,0|2,0,0]=4 6406 B13R0.274 COC(=O)CC(C)SCCCCC=O 62a_100000139335_100009817358 [1,1,0,0,0,0|2,0,0]=4 6407 B13R0.274 COC(=O)CC(C)SCCCCC=O 62a_100009817358_100000139335 [1,1,0,0,0,0|2,0,0]=4 6408 B13R0.274 COC(=O)CC(C)SCCCCCF 62a_100000729378_100009817358 [1,1,0,0,0,0|2,0,0]=4 6409 B13R0.274 COC(=O)CC(C)SCCCCCF 62a_100009817358_100000729378 [1,1,0,0,0,0|2,0,0]=4 6410 B13R0.274 COC(=O)CC(C)SCCCCCO 62a_100000746330_100009817358 [1,1,0,0,0,0|2,0,0]=4 6411 B13R0.274 COC(=O)CC(C)SCCCCCO 62a_100009817358_100000746330 [1,1,0,0,0,0|2,0,0]=4 6412 B13R0.274 COC(=O)CN(C)CCCCCC=O 2230a_100000198492_100000139337 [1,1,0,0,0,0|2,0,0]=4 6413 B13R0.274 COC(=O)CN(C)CCCCCCF 2230a_100000198492_100015922095 [1,1,0,0,0,0|2,0,0]=4 6414 B13R0.274 COC(=O)CN(C)CCCCCCO 2230a_100000198492_100000766143 [1,1,0,0,0,0|2,0,0]=4 6415 B13R0.274 COC(=O)C[C@@H](O)CNCCCCO 34a_100000750430_100000754131 [1,1,0,0,0,0|2,0,0]=4 6416 B13R0.274 COC(=O)C[C@@H](O)COCCCCBr 34a_100011216708_100000754131 [1,1,0,0,0,0|2,0,0]=4 6417 B13R0.274 COC(=O)C[C@@H](O)COCCCCCl 34a_100000210776_100000754131 [1,1,0,0,0,0|2,0,0]=4 6418 B13R0.274 COC(=O)C[C@@H](O)COCCCCCl 7a_100000210776_100000754131 [1,1,0,0,0,0|2,0,0]=4 6419 B13R0.274 COC(=O)C[C@@H](O)COCCCCF 34a_100011995726_100000754131 [1,1,0,0,0,0|2,0,0]=4 6420 B13R0.274 COC(=O)C[C@@H](O)COCCCCF 7a_100011995726_100000754131 [1,1,0,0,0,0|2,0,0]=4 6421 B13R0.274 COC(=O)C[C@@H](O)COCCCCI 34a_200012148704_100000754131 [1,1,0,0,0,0|2,0,0]=4 6422 B13R0.274 COC(=O)C[C@@H](O)COCCCCN 34a_100000750430_100000754131 [1,1,0,0,0,0|2,0,0]=4 6423 B13R0.274 COC(=O)C[C@@H](O)CSCCCC=O 62a_100000754131_200011292268 [1,1,0,0,0,0|2,0,0]=4 6424 B13R0.274 COC(=O)C[C@@H](O)CSCCCC=O 62a_200011292268_100000754131 [1,1,0,0,0,0|2,0,0]=4 6425 B13R0.274 COC(=O)C[C@@H](O)CSCCCCF 62a_100000729493_100000754131 [1,1,0,0,0,0|2,0,0]=4 6426 B13R0.274 COC(=O)C[C@@H](O)CSCCCCF 62a_100000754131_100000729493 [1,1,0,0,0,0|2,0,0]=4 6427 B13R0.274 COC(=O)C[C@@H](O)CSCCCCO 62a_100000210776_100000754131 [1,1,0,0,0,0|2,0,0]=4 6428 B13R0.274 COC(=O)C[C@@H](O)CSCCCCO 62a_100000754131_100000210776 [1,1,0,0,0,0|2,0,0]=4 6429 B13R0.340 C=CCCCCCCC(=O)C(=O)NC 1458a_100011218921_100011215473 [1,1,0,0,0,0|1,0,1]=4 6430 B13R0.340 C=CCCCCCN[C@H](C)C(=O)NC 2230a_100000684985_100000700193 [1,1,0,0,0,0|2,0,0]=4 6431 B13R0.340 C=CCCCCCN[C@H](C)C(=O)NC 34a_100000684985_100000700193 [1,1,0,0,0,0|2,0,0]=4 6432 B13R0.340 C=CCCCCCOC(C)C(=O)CC 7a_100011216702_100000742827 [1,1,0,0,0,0|2,0,0]=4 6433 B13R0.340 C=CCCCCCOC(C)C(=O)NC 34a_100011216702_100000731044 [1,1,0,0,0,0|2,0,0]=4 6434 B13R0.340 C=CCCCCCOC(C)C(=O)NC 7a_100011216702_100000209862 [1,1,0,0,0,0|2,0,0]=4 6435 B13R0.340 C=CCCCCCOC(C)C(=O)OC 34a_100011215400_100000700193 [1,1,0,0,0,0|1,0,0]=3 6436 B13R0.340 C=CCCCCCOC(C)C(=O)OC 34a_100011216702_100000211248 [1,1,0,0,0,0|1,0,0]=3 6437 B13R0.340 C=CCCCCCOC(C)C(=O)OC 7a_100011216702_100000211248 [1,1,0,0,0,0|1,0,0]=3 6438 B13R0.340 C=CCCCCCOC(F)C(=O)NC 34a_100011216702_100009813575 [1,1,0,0,0,0|2,0,0]=4 6439 B13R0.340 C=CCCCCCOC(F)C(=O)NC 7a_100011216702_100009813575 [1,1,0,0,0,0|2,0,0]=4 6440 B13R0.340 C=CCCCCCSC(C)C(=O)CC 62a_100000700193_100000742827 [1,1,0,0,0,0|2,0,0]=4 6441 B13R0.340 C=CCCCCCSC(C)C(=O)CC 62a_100000742827_100000700193 [1,1,0,0,0,0|2,0,0]=4 6442 B13R0.340 C=CCCCCCSC(C)C(=O)NC 62a_100000209862_100000700193 [1,1,0,0,0,0|2,0,0]=4 6443 B13R0.340 C=CCCCCCSC(C)C(=O)NC 62a_100000700193_100000731044 [1,1,0,0,0,0|2,0,0]=4 6444 B13R0.340 C=CCCCCCSC(C)C(=O)OC 62a_100000211248_100000700193 [1,1,0,0,0,0|1,0,0]=3 6445 B13R0.340 C=CCCCCCSC(C)C(=O)OC 62a_100000700193_100000211248 [1,1,0,0,0,0|1,0,0]=3 6446 B13R0.340 C=CCCCCCSC(F)C(=O)NC 62a_100000700193_100009813575 [1,1,0,0,0,0|2,0,0]=4 6447 B13R0.340 C=CCCCCCSC(F)C(=O)NC 62a_100009813575_100000700193 [1,1,0,0,0,0|2,0,0]=4 6448 B13R0.340 C=CCCCCNCC(=C)C(=O)OC 34a_100000703577_100009813391 [1,1,0,0,0,0|1,0,1]=4 6449 B13R0.340 C=CCCCCNCC(=O)C(=O)OC 34a_100000703577_100011610305 [1,1,0,0,0,0|1,0,1]=4 6450 B13R0.340 C=CCCCCNCC(C)C(=O)NC 2230a_100015187722_100011215482 [1,1,0,0,0,0|2,0,0]=4 6451 B13R0.340 C=CCCCCNCC(C)C(=O)NC 34a_100015187722_100011215482 [1,1,0,0,0,0|2,0,0]=4 6452 B13R0.340 C=CCCCCNCC(C)C(=O)OC 34a_100000703577_100000698445 [1,1,0,0,0,0|1,0,0]=3 6453 B13R0.340 C=CCCCCOCC(=C)C(=O)OC 34a_100000766645_100009813391 [1,1,0,0,0,0|1,0,1]=4 6454 B13R0.340 C=CCCCCOCC(=O)C(=O)OC 34a_100000766645_100011610305 [1,1,0,0,0,0|1,0,1]=4 6455 B13R0.340 C=CCCCCOCC(C)C(=O)OC 34a_100000749362_100011215482 [1,1,0,0,0,0|1,0,0]=3 6456 B13R0.340 C=CCCCCOCC(C)C(=O)OC 34a_100000766645_100000698445 [1,1,0,0,0,0|1,0,0]=3 6457 B13R0.340 C=CCCCCOCC(C)C(=O)OC 7a_100000749362_100011215482 [1,1,0,0,0,0|1,0,0]=3 6458 B13R0.340 C=CCCCCOCC(F)C(=O)OC 34a_200009849844_100011215482 [1,1,0,0,0,0|1,0,0]=3 6459 B13R0.340 C=CCCCCOC[C@@H](N)C(=O)OC 34a_100000003586_100011215482 [1,1,0,0,0,0|1,0,0]=3 6460 B13R0.340 C=CCCCCSCC(=C)C(=O)OC 62a_100009813391_100011215482 [1,1,0,0,0,0|1,0,1]=4 6461 B13R0.340 C=CCCCCSCC(=C)C(=O)OC 62a_100011215482_100009813391 [1,1,0,0,0,0|1,0,1]=4 6462 B13R0.340 C=CCCCCSCC(=O)C(=O)OC 62a_100011215482_100011610305 [1,1,0,0,0,0|1,0,1]=4 6463 B13R0.340 C=CCCCCSCC(=O)C(=O)OC 62a_100011610305_100011215482 [1,1,0,0,0,0|1,0,1]=4 6464 B13R0.340 C=CCCCCSCC(C)C(=O)OC 62a_100000698445_100011215482 [1,1,0,0,0,0|1,0,0]=3 6465 B13R0.340 C=CCCCCSCC(C)C(=O)OC 62a_100011215482_100000698445 [1,1,0,0,0,0|1,0,0]=3 6466 B13R0.340 C=CCCCNCCC(C)C(=O)OC 2230a_100000700776_100000034942 [1,1,0,0,0,0|1,0,0]=3 6467 B13R0.340 C=CCCCNCCC(C)C(=O)OC 34a_100000700776_100000034942 [1,1,0,0,0,0|1,0,0]=3 6468 B13R0.340 C=CCCCOCCC(C)C(=O)OC 34a_100000758997_100000034942 [1,1,0,0,0,0|1,0,0]=3 6469 B13R0.340 C=CCCCOCCC(C)C(=O)OC 7a_100000758997_100000034942 [1,1,0,0,0,0|1,0,0]=3 6470 B13R0.340 C=CCCCSCCC(C)C(=O)OC 62a_100000034942_100000757094 [1,1,0,0,0,0|1,0,0]=3 6471 B13R0.340 C=CCCCSCCC(C)C(=O)OC 62a_100011713584_100000034942 [1,1,0,0,0,0|1,0,0]=3 6472 B13R0.340 C=CCOCCOCC(C)C(=O)OC 34a_100000037705_100000698445 [1,1,0,0,0,0|2,0,0]=4 6473 B13R0.340 C=COCCCCOC(C)C(=O)OC 34a_100000031558_100000211248 [1,1,0,0,0,0|2,0,0]=4 6474 B13R0.340 C=COCCCCOC(C)C(=O)OC 7a_100000031558_100000211248 [1,1,0,0,0,0|2,0,0]=4 6475 B13R0.340 C=COCCCNCC(C)C(=O)OC 34a_100000210767_100000698445 [1,1,0,0,0,0|2,0,0]=4 6476 B13R0.340 C=COCCOCCC(C)C(=O)OC 34a_100000033082_100000034942 [1,1,0,0,0,0|2,0,0]=4 6477 B13R0.340 C=COCCSCCC(C)C(=O)OC 62a_100000034942_100000039644 [1,1,0,0,0,0|2,0,0]=4 6478 B13R0.340 C=COCCSCCC(C)C(=O)OC 62a_100000039644_100000034942 [1,1,0,0,0,0|2,0,0]=4 6479 B13R0.340 CCCCCCCCC(O)C(=O)CC 1458a_200011995895_100000210202 [1,1,0,0,0,0|1,0,1]=4 6480 B13R0.340 CCCCCCCCC(O)C(=O)NC 240690a_100102657272_200011995895 [1,1,0,0,0,0|1,0,1]=4 6481 B13R0.340 CCCCCCCNC(C)C(=O)OC 2230a_100000229938_100000211248 [1,1,0,0,0,0|1,0,1]=4 6482 B13R0.340 CCCCCCCOC(C)C(=O)OC 34a_100000210272_100000211248 [1,1,0,0,0,0|1,0,1]=4 6483 B13R0.340 CCCCCCCOC(C)C(=O)OC 34a_100011215400_100000210614 [1,1,0,0,0,0|1,0,1]=4 6484 B13R0.340 CCCCCCCOC(C)C(=O)OC 7a_100000210272_100000211248 [1,1,0,0,0,0|1,0,1]=4 6485 B13R0.340 CCCCCCCSC(C)C(=O)OC 62a_100000210614_100000211248 [1,1,0,0,0,0|1,0,1]=4 6486 B13R0.340 CCCCCCCSC(C)C(=O)OC 62a_100000211248_100000210316 [1,1,0,0,0,0|1,0,1]=4 6487 B13R0.340 CCCCCCOCC(C)C(=O)OC 34a_100000210259_100000698445 [1,1,0,0,0,0|1,0,1]=4 6488 B13R0.340 CCCCCCOCC(C)C(=O)OC 34a_100000749362_100000210314 [1,1,0,0,0,0|1,0,1]=4 6489 B13R0.340 CCCCCCOCC(C)C(=O)OC 7a_100000749362_100000210314 [1,1,0,0,0,0|1,0,1]=4 6490 B13R0.340 CCCCCCOCC(F)C(=O)OC 34a_200009849844_100000210314 [1,1,0,0,0,0|1,0,1]=4 6491 B13R0.340 CCCCCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210314 [1,1,0,0,0,0|1,0,1]=4 6492 B13R0.340 CCCCCCSCC(C)C(=O)OC 62a_100000210314_100000698445 [1,1,0,0,0,0|1,0,1]=4 6493 B13R0.340 CCCCCCSCC(C)C(=O)OC 62a_100000698445_100000210757 [1,1,0,0,0,0|1,0,1]=4 6494 B13R0.340 CCCCCNCCC(C)C(=O)OC 2230a_100000209983_100000034942 [1,1,0,0,0,0|1,0,1]=4 6495 B13R0.340 CCCCCOCCC(C)C(=O)OC 34a_100000210253_100000034942 [1,1,0,0,0,0|1,0,1]=4 6496 B13R0.340 CCCCCOCCC(C)C(=O)OC 7a_100000210253_100000034942 [1,1,0,0,0,0|1,0,1]=4 6497 B13R0.340 CCCCCSCCC(C)C(=O)OC 62a_100000034942_100000210326 [1,1,0,0,0,0|1,0,1]=4 6498 B13R0.340 CCCCCSCCC(C)C(=O)OC 62a_100000210326_100000034942 [1,1,0,0,0,0|1,0,1]=4 6499 B13R0.340 COC(=O)C(C)CCNCCCCO 2230a_100000750430_100000034942 [1,1,0,0,0,0|2,0,0]=4 6500 B13R0.340 COC(=O)C(C)CCNCCCCO 34a_100000750430_100000034942 [1,1,0,0,0,0|2,0,0]=4 6501 B13R0.340 COC(=O)C(C)CCOCCCCBr 34a_100011216708_100000034942 [1,1,0,0,0,0|2,0,0]=4 6502 B13R0.340 COC(=O)C(C)CCOCCCCCl 34a_100000210776_100000034942 [1,1,0,0,0,0|2,0,0]=4 6503 B13R0.340 COC(=O)C(C)CCOCCCCCl 7a_100000210776_100000034942 [1,1,0,0,0,0|2,0,0]=4 6504 B13R0.340 COC(=O)C(C)CCOCCCCF 34a_100011995726_100000034942 [1,1,0,0,0,0|2,0,0]=4 6505 B13R0.340 COC(=O)C(C)CCOCCCCF 7a_100011995726_100000034942 [1,1,0,0,0,0|2,0,0]=4 6506 B13R0.340 COC(=O)C(C)CCOCCCCI 34a_200012148704_100000034942 [1,1,0,0,0,0|2,0,0]=4 6507 B13R0.340 COC(=O)C(C)CCOCCCCN 34a_100000750430_100000034942 [1,1,0,0,0,0|2,0,0]=4 6508 B13R0.340 COC(=O)C(C)CCSCCCC=O 62a_100000034942_200011292268 [1,1,0,0,0,0|2,0,0]=4 6509 B13R0.340 COC(=O)C(C)CCSCCCC=O 62a_200011292268_100000034942 [1,1,0,0,0,0|2,0,0]=4 6510 B13R0.340 COC(=O)C(C)CCSCCCCF 62a_100000034942_100000729493 [1,1,0,0,0,0|2,0,0]=4 6511 B13R0.340 COC(=O)C(C)CCSCCCCF 62a_100000729493_100000034942 [1,1,0,0,0,0|2,0,0]=4 6512 B13R0.340 COC(=O)C(C)CCSCCCCO 62a_100000034942_100000210776 [1,1,0,0,0,0|2,0,0]=4 6513 B13R0.340 COC(=O)C(C)CCSCCCCO 62a_100000210776_100000034942 [1,1,0,0,0,0|2,0,0]=4 6514 B13R0.340 COC(=O)C(C)CNCCCCCO 34a_100000762737_100000698445 [1,1,0,0,0,0|2,0,0]=4 6515 B13R0.340 COC(=O)C(C)COCCCCC=O 7a_100000749362_100000139335 [1,1,0,0,0,0|2,0,0]=4 6516 B13R0.340 COC(=O)C(C)COCCCCCBr 34a_100000746331_100000698445 [1,1,0,0,0,0|2,0,0]=4 6517 B13R0.340 COC(=O)C(C)COCCCCCCl 34a_100000746330_100000698445 [1,1,0,0,0,0|2,0,0]=4 6518 B13R0.340 COC(=O)C(C)COCCCCCF 34a_100000749362_100000729378 [1,1,0,0,0,0|2,0,0]=4 6519 B13R0.340 COC(=O)C(C)COCCCCCF 7a_100000749362_100000729378 [1,1,0,0,0,0|2,0,0]=4 6520 B13R0.340 COC(=O)C(C)COCCCCCI 34a_200012148887_100000698445 [1,1,0,0,0,0|2,0,0]=4 6521 B13R0.340 COC(=O)C(C)COCCCCCN 34a_100000762737_100000698445 [1,1,0,0,0,0|2,0,0]=4 6522 B13R0.340 COC(=O)C(C)COCCCCCO 34a_100000749362_100000746330 [1,1,0,0,0,0|2,0,0]=4 6523 B13R0.340 COC(=O)C(C)COCCCCCO 7a_100000749362_100000746330 [1,1,0,0,0,0|2,0,0]=4 6524 B13R0.340 COC(=O)C(C)CSCCCCC=O 62a_100000139335_100000698445 [1,1,0,0,0,0|2,0,0]=4 6525 B13R0.340 COC(=O)C(C)CSCCCCC=O 62a_100000698445_100000139335 [1,1,0,0,0,0|2,0,0]=4 6526 B13R0.340 COC(=O)C(C)CSCCCCCF 62a_100000698445_100000729378 [1,1,0,0,0,0|2,0,0]=4 6527 B13R0.340 COC(=O)C(C)CSCCCCCF 62a_100000729378_100000698445 [1,1,0,0,0,0|2,0,0]=4 6528 B13R0.340 COC(=O)C(C)CSCCCCCO 62a_100000698445_100000746330 [1,1,0,0,0,0|2,0,0]=4 6529 B13R0.340 COC(=O)C(C)CSCCCCCO 62a_100000746330_100000698445 [1,1,0,0,0,0|2,0,0]=4 6530 B13R0.340 COC(=O)C(C)NCCCCCCO 2230a_100000686447_100000211248 [1,1,0,0,0,0|2,0,0]=4 6531 B13R0.340 COC(=O)C(C)NCCCCCCO 34a_100000686447_100000211248 [1,1,0,0,0,0|2,0,0]=4 6532 B13R0.340 COC(=O)C(C)OCCCCCCBr 34a_100011215345_100000211248 [1,1,0,0,0,0|2,0,0]=4 6533 B13R0.340 COC(=O)C(C)OCCCCCCBr 7a_100011215345_100000211248 [1,1,0,0,0,0|2,0,0]=4 6534 B13R0.340 COC(=O)C(C)OCCCCCCCl 34a_100000766143_100000211248 [1,1,0,0,0,0|2,0,0]=4 6535 B13R0.340 COC(=O)C(C)OCCCCCCCl 7a_100000766143_100000211248 [1,1,0,0,0,0|2,0,0]=4 6536 B13R0.340 COC(=O)C(C)OCCCCCCF 34a_100000732779_100000211248 [1,1,0,0,0,0|2,0,0]=4 6537 B13R0.340 COC(=O)C(C)OCCCCCCF 34a_100011215400_100015922095 [1,1,0,0,0,0|2,0,0]=4 6538 B13R0.340 COC(=O)C(C)OCCCCCCF 7a_100000732779_100000211248 [1,1,0,0,0,0|2,0,0]=4 6539 B13R0.340 COC(=O)C(C)OCCCCCCN 34a_100000686447_100000211248 [1,1,0,0,0,0|2,0,0]=4 6540 B13R0.340 COC(=O)C(C)OCCCCCCO 34a_100011215400_100000766143 [1,1,0,0,0,0|2,0,0]=4 6541 B13R0.340 COC(=O)C(C)SCCCCCC=O 62a_100000139337_100000211248 [1,1,0,0,0,0|2,0,0]=4 6542 B13R0.340 COC(=O)C(C)SCCCCCC=O 62a_100000211248_100000139337 [1,1,0,0,0,0|2,0,0]=4 6543 B13R0.340 COC(=O)C(C)SCCCCCCF 62a_100000211248_100015922095 [1,1,0,0,0,0|2,0,0]=4 6544 B13R0.340 COC(=O)C(C)SCCCCCCF 62a_100015922095_100000211248 [1,1,0,0,0,0|2,0,0]=4 6545 B13R0.340 COC(=O)C(C)SCCCCCCO 62a_100000211248_100000766143 [1,1,0,0,0,0|2,0,0]=4 6546 B13R0.340 COC(=O)C(C)SCCCCCCO 62a_100000766143_100000211248 [1,1,0,0,0,0|2,0,0]=4 6547 B13R0.340 COC(=O)C(F)COCCCCCF 34a_200009849844_100000729378 [1,1,0,0,0,0|2,0,0]=4 6548 B13R0.340 COC(=O)C(F)COCCCCCO 34a_200009849844_100000746330 [1,1,0,0,0,0|2,0,0]=4 6549 B13R0.340 COC(=O)[C@H](N)COCCCCCF 34a_100000003586_100000729378 [1,1,0,0,0,0|2,0,0]=4 6550 B13R0.340 COC(=O)[C@H](N)COCCCCCO 34a_100000003586_100000746330 [1,1,0,0,0,0|2,0,0]=4 6551 B13R0.1170 C=CCCCCC(=O)CCC(=O)NC 1458a_100011309844_100011215482 [1,1,0,0,0,0|1,0,1]=4 6552 B13R0.1170 C=CCCCCC(=O)CCC(=O)OC 1458a_100000187943_100011215482 [1,1,0,0,0,0|0,0,1]=3 6553 B13R0.1170 C=CCCCCC(=O)CNC(=O)OC 1458a_100000215747_100011215482 [1,1,0,0,0,0|1,0,1]=4 6554 B13R0.1170 C=CCCCCC(=O)NCC(=O)OC 188690a_100000185156_100011215552 [1,1,0,0,0,0|1,0,1]=4 6555 B13R0.1170 C=CCCCCN(C)CCC(=O)NC 2230a_100000750875_100011215482 [1,1,0,0,0,0|2,0,0]=4 6556 B13R0.1170 C=CCCCCN(C)CCC(=O)NC 2230a_100012000471_100000737683 [1,1,0,0,0,0|2,0,0]=4 6557 B13R0.1170 C=CCCCCN(C)CCC(=O)NC 269982a_100000750875_100011215482 [1,1,0,0,0,0|2,0,0]=4 6558 B13R0.1170 C=CCCCCN(C)CCC(=O)NC 269982a_100012000471_100000737683 [1,1,0,0,0,0|2,0,0]=4 6559 B13R0.1170 C=CCCCCN(C)CCC(=O)OC 2230a_100012000471_100000204255 [1,1,0,0,0,0|1,0,0]=3 6560 B13R0.1170 C=CCCCCN(C)CCC(=O)OC 269982a_100012000471_100000204255 [1,1,0,0,0,0|1,0,0]=3 6561 B13R0.1170 C=CCCCCN(C)CCC(=O)OC 269982a_100025711912_100011215482 [1,1,0,0,0,0|1,0,0]=3 6562 B13R0.1170 C=CCCCNC(=O)CCC(=O)OC 11a_100000700776_100000187943 [1,1,0,0,0,0|1,0,1]=4 6563 B13R0.1170 C=CCCCNC(=O)CCC(=O)OC 1626a_100000700776_100000187943 [1,1,0,0,0,0|1,0,1]=4 6564 B13R0.1170 C=CCCCNC(=O)CCC(=O)OC 240690a_100000700776_100000187943 [1,1,0,0,0,0|1,0,1]=4 6565 B13R0.1170 C=CCCCNC(=O)CCC(=O)OC 527a_100000700776_100000187943 [1,1,0,0,0,0|1,0,1]=4 6566 B13R0.1170 C=CCCNCC(=O)CCC(=O)OC 2230a_100015191253_100000691467 [1,1,0,0,0,0|1,0,1]=4 6567 B13R0.1170 C=CCCOCC(=O)CCC(=O)OC 34a_100011205117_100000691467 [1,1,0,0,0,0|1,0,1]=4 6568 B13R0.1170 C=CCCSCC(=O)CCC(=O)OC 62a_100000691467_100000754431 [1,1,0,0,0,0|1,0,1]=4 6569 B13R0.1170 C=CCCSCC(=O)CCC(=O)OC 62a_100000754431_100000691467 [1,1,0,0,0,0|1,0,1]=4 6570 B13R0.1170 CCCCCCC(=O)CCC(=O)OC 1458a_100000187943_100000210757 [1,1,0,0,0,0|0,0,2]=4 6571 B13R0.1170 CCCCCCC(C)NCC(=O)OC 2230a_100000210919_100000747449 [1,1,0,0,0,0|1,0,1]=4 6572 B13R0.1170 CCCCCCC(C)NCC(=O)OC 34a_100000210919_100000747449 [1,1,0,0,0,0|1,0,1]=4 6573 B13R0.1170 CCCCCCC(C)OCC(=O)OC 34a_100000210265_100000747449 [1,1,0,0,0,0|1,0,1]=4 6574 B13R0.1170 CCCCCCC(C)OCC(=O)OC 7a_100000210265_100000747449 [1,1,0,0,0,0|1,0,1]=4 6575 B13R0.1170 CCCCCCC(C)SCC(=O)OC 62a_100000747449_100011215978 [1,1,0,0,0,0|1,0,1]=4 6576 B13R0.1170 CCCCCCC(C)SCC(=O)OC 62a_100011215978_100000747449 [1,1,0,0,0,0|1,0,1]=4 6577 B13R0.1170 CCCCCCN(C)CCC(=O)OC 2230a_106256046315_100000204255 [1,1,0,0,0,0|1,0,1]=4 6578 B13R0.1170 CCCCCCN(C)CCC(=O)OC 269982a_100025711912_100000210757 [1,1,0,0,0,0|1,0,1]=4 6579 B13R0.1170 CCCCCCN(C)CCC(=O)OC 269982a_106256046315_100000204255 [1,1,0,0,0,0|1,0,1]=4 6580 B13R0.1170 COC(=O)CCC(=O)CCCCCF 1458a_100000187943_100000729378 [1,1,0,0,0,0|1,0,1]=4 6581 B13R0.1170 COC(=O)CCC(=O)CCCCCO 1458a_100000187943_100000746330 [1,1,0,0,0,0|1,0,1]=4 6582 B13R0.1170 COC(=O)CCN(C)CCCCC=O 269982a_100025711912_100000139335 [1,1,0,0,0,0|2,0,0]=4 6583 B13R0.1170 COC(=O)CCN(C)CCCCCF 269982a_100025711912_100000729378 [1,1,0,0,0,0|2,0,0]=4 6584 B13R0.1170 COC(=O)CCN(C)CCCCCO 2230a_100000722520_100000204255 [1,1,0,0,0,0|2,0,0]=4 6585 B13R0.1170 COC(=O)CCN(C)CCCCCO 269982a_100000722520_100000204255 [1,1,0,0,0,0|2,0,0]=4 6586 B13R0.1170 COC(=O)CCN(C)CCCCCO 269982a_100025711912_100000746330 [1,1,0,0,0,0|2,0,0]=4 6587 B15R0.18 C=CCCCCC(=O)CCCC(=O)NCC 1458a_100000199580_100011215482 [0,2,0,0,0,0|1,0,1]=4 6588 B15R0.18 C=CCCCCC(=O)CCCC(=O)OCC 1458a_100000210991_100011215482 [0,2,0,0,0,0|0,0,1]=3 6589 B15R0.18 C=CCCCCC(=O)CCCC(=O)OCC 1458a_100011215552_100011215271 [0,2,0,0,0,0|0,0,1]=3 6590 B15R0.18 C=CCCCCC(=O)CCNC(=O)OCC 1458a_100011215552_200011445536 [0,2,0,0,0,0|1,0,1]=4 6591 B15R0.18 C=CCCCCC(=O)NCCC(=O)OCC 188690a_100000746078_100011215552 [0,2,0,0,0,0|1,0,1]=4 6592 B15R0.18 C=CCCCCN(C)CCCC(=O)OCC 2230a_100012000471_100009991533 [0,2,0,0,0,0|1,0,0]=3 6593 B15R0.18 C=CCCCCN(C)CCCC(=O)OCC 269982a_100012000471_100009991533 [0,2,0,0,0,0|1,0,0]=3 6594 B15R0.18 C=CCCCCN(C)CCNC(=O)OCC 269982a_100012000471_200011445536 [0,2,0,0,0,0|2,0,0]=4 6595 B15R0.18 C=CCCCNC(=O)CCCC(=O)OCC 11a_100000700776_100000210991 [0,2,0,0,0,0|1,0,1]=4 6596 B15R0.18 C=CCCCNC(=O)CCCC(=O)OCC 1626a_100000700776_100000210991 [0,2,0,0,0,0|1,0,1]=4 6597 B15R0.18 C=CCCCNC(=O)CCCC(=O)OCC 240690a_100000700776_100000210991 [0,2,0,0,0,0|1,0,1]=4 6598 B15R0.18 C=CCCCNC(=O)CCCC(=O)OCC 527a_100000700776_100000210991 [0,2,0,0,0,0|1,0,1]=4 6599 B15R0.18 C=CCOCCC(=O)CCCC(=O)OCC 1458a_200011217002_100011215271 [0,2,0,0,0,0|1,0,1]=4 6600 B15R0.25 COC(=O)CCCC(=O)CCCCC(=O)C 1458a_100000239890_100000735457 [0,2,0,0,0,0|0,0,2]=4 6601 B15R0.25 COC(=O)CCCN(C)CCCCC(=O)C 269982a_100000739225_100000735457 [0,2,0,0,0,0|1,0,1]=4 6602 B15R0.137 C#CCCCCCC(=O)CCCC(=O)OC 1458a_100000239890_100012094781 [0,2,0,0,0,0|0,0,2]=4 6603 B15R0.137 C#CCCCCCC(=O)CCCC(=O)OC 1458a_100000694772_100011218270 [0,2,0,0,0,0|0,0,2]=4 6604 B15R0.137 C#CCCCCCN(C)CCCC(=O)OC 269982a_100000739225_100012094781 [0,2,0,0,0,0|0,0,2]=4 6605 B15R0.137 C=CCCCCCC(=O)CCCC(=O)NC 1458a_100011934241_100000741757 [0,2,0,0,0,0|1,0,0]=3 6606 B15R0.137 C=CCCCCCC(=O)CCCC(=O)OC 1458a_100000239890_100000700193 [0,2,0,0,0,0|0,0,0]=2 6607 B15R0.137 C=CCCCCCC(=O)CCCC(=O)OC 1458a_100011934241_100011218270 [0,2,0,0,0,0|0,0,0]=2 6608 B15R0.137 C=CCCCCCC(=O)CCOC(=O)NC 1458a_100011934241_200011997002 [0,2,0,0,0,0|1,0,1]=4 6609 B15R0.137 C=CCCCCCC(=O)CSCC(=O)OC 1458a_100000191316_100000700193 [0,2,0,0,0,0|0,0,1]=3 6610 B15R0.137 C=CCCCCCC(=O)NCCC(=O)NC 11a_100000738227_100011934241 [0,2,0,0,0,0|1,0,1]=4 6611 B15R0.137 C=CCCCCCC(=O)NCCC(=O)NC 240690a_100000738227_100011934241 [0,2,0,0,0,0|1,0,1]=4 6612 B15R0.137 C=CCCCCCC(=O)NCCC(=O)NC 527a_100000738227_100011934241 [0,2,0,0,0,0|1,0,1]=4 6613 B15R0.137 C=CCCCCCC(=O)NCCC(=O)OC 188690a_100000683876_100011934241 [0,2,0,0,0,0|0,0,1]=3 6614 B15R0.137 C=CCCCCCN(C)CCCC(=O)OC 269982a_100000739225_100000700193 [0,2,0,0,0,0|0,0,0]=2 6615 B15R0.137 C=CCCCCNC(=O)CCCC(=O)OC 11a_100000703577_100000239890 [0,2,0,0,0,0|0,0,1]=3 6616 B15R0.137 C=CCCCCNC(=O)CCCC(=O)OC 1626a_100000703577_100000239890 [0,2,0,0,0,0|0,0,1]=3 6617 B15R0.137 C=CCCCCNC(=O)CCCC(=O)OC 240690a_100000703577_100000239890 [0,2,0,0,0,0|0,0,1]=3 6618 B15R0.137 C=CCCCCNC(=O)CCCC(=O)OC 527a_100000703577_100000239890 [0,2,0,0,0,0|0,0,1]=3 6619 B15R0.137 C=CCCCCNC(=O)CSCC(=O)OC 11a_100000703577_100000191316 [0,2,0,0,0,0|1,0,1]=4 6620 B15R0.137 C=CCCCCNC(=O)CSCC(=O)OC 1626a_100000703577_100000191316 [0,2,0,0,0,0|1,0,1]=4 6621 B15R0.137 C=CCCCCNC(=O)CSCC(=O)OC 240690a_100000703577_100000191316 [0,2,0,0,0,0|1,0,1]=4 6622 B15R0.137 C=CCCCNCC(=O)NCCC(=O)OC 2230a_100000700776_100000230212 [0,2,0,0,0,0|1,0,1]=4 6623 B15R0.137 C=CCCCNCC(=O)NCCC(=O)OC 34a_100000700776_100000230212 [0,2,0,0,0,0|1,0,1]=4 6624 B15R0.137 C=CCCCOCC(=O)NCCC(=O)OC 34a_100000758997_100000230212 [0,2,0,0,0,0|1,0,1]=4 6625 B15R0.137 C=CCCCOCC(=O)NCCC(=O)OC 7a_100000758997_100000230212 [0,2,0,0,0,0|1,0,1]=4 6626 B15R0.137 C=CCCCSCC(=O)NCCC(=O)OC 62a_100000230212_100000757094 [0,2,0,0,0,0|1,0,1]=4 6627 B15R0.137 C=CCCCSCC(=O)NCCC(=O)OC 62a_100011713584_100000230212 [0,2,0,0,0,0|1,0,1]=4 6628 B15R0.137 C=COCCCNC(=O)CCCC(=O)OC 11a_100000210767_100000239890 [0,2,0,0,0,0|1,0,1]=4 6629 B15R0.137 C=COCCCNC(=O)CCCC(=O)OC 1626a_100000210767_100000239890 [0,2,0,0,0,0|1,0,1]=4 6630 B15R0.137 C=COCCCNC(=O)CCCC(=O)OC 240690a_100000210767_100000239890 [0,2,0,0,0,0|1,0,1]=4 6631 B15R0.137 C=COCCCNC(=O)CCCC(=O)OC 527a_100000210767_100000239890 [0,2,0,0,0,0|1,0,1]=4 6632 B15R0.137 CCCCCCCC(=O)CCCC(=O)OC 1458a_100000211969_100011218270 [0,2,0,0,0,0|0,0,2]=4 6633 B15R0.137 CCCCCCCC(=O)CCCC(=O)OC 1458a_100000239890_100000210614 [0,2,0,0,0,0|0,0,2]=4 6634 B15R0.137 CCCCCCCC(C)OCCC(=O)OC 34a_200011215852_100000742370 [0,2,0,0,0,0|0,0,2]=4 6635 B15R0.137 CCCCCCCC(C)OCCC(=O)OC 7a_200011215852_100000204255 [0,2,0,0,0,0|0,0,2]=4 6636 B15R0.137 CCCCCCCC(C)SCCC(=O)OC 62a_100000204255_200011218727 [0,2,0,0,0,0|0,0,2]=4 6637 B15R0.137 CCCCCCCC(C)SCCC(=O)OC 62a_200011218727_100000204255 [0,2,0,0,0,0|0,0,2]=4 6638 B15R0.137 CCCCCCCN(C)CCCC(=O)OC 2230a_100000228206_100011218270 [0,2,0,0,0,0|0,0,2]=4 6639 B15R0.137 CCCCCCCN(C)CCCC(=O)OC 269982a_100000228206_100011218270 [0,2,0,0,0,0|0,0,2]=4 6640 B15R0.137 CCCCCCCN(C)CCCC(=O)OC 269982a_100000739225_100000210681 [0,2,0,0,0,0|0,0,2]=4 6641 B15R0.137 COC(=O)CCCC(=O)CCCCCC#N 1458a_100000239890_100009813376 [0,2,0,0,0,0|1,0,1]=4 6642 B15R0.137 COC(=O)CCCC(=O)CCCCCCF 1458a_100000239890_100015922095 [0,2,0,0,0,0|1,0,1]=4 6643 B15R0.137 COC(=O)CCCC(=O)CCCCCCO 1458a_100000239890_100000766143 [0,2,0,0,0,0|1,0,1]=4 6644 B15R0.137 COC(=O)CCCC(=O)CCCCCCO 1458a_100011996774_100011218270 [0,2,0,0,0,0|1,0,1]=4 6645 B15R0.137 COC(=O)CCCN(C)CCCCCC#N 269982a_100000739225_100009813376 [0,2,0,0,0,0|1,0,1]=4 6646 B15R0.137 COC(=O)CCCN(C)CCCCCC=O 269982a_100000739225_100000139337 [0,2,0,0,0,0|1,0,0]=3 6647 B15R0.137 COC(=O)CCCN(C)CCCCCCF 269982a_100000739225_100015922095 [0,2,0,0,0,0|1,0,1]=4 6648 B15R0.137 COC(=O)CCCN(C)CCCCCCO 269982a_100000739225_100000766143 [0,2,0,0,0,0|1,0,1]=4 6649 B15R0.137 COCCCCCC(=O)CCCC(=O)OC 1458a_100011935119_100011218270 [0,2,0,0,0,0|1,0,1]=4 6650 B15R0.192 C=CCCCCC(=O)CCC(C)C(=O)OC 1458a_100011215552_100000034942 [0,2,0,0,0,0|0,0,1]=3 6651 B15R0.192 C=CCCCCC(=O)NCC(O)C(=O)OC 188690a_100000695228_100011215552 [0,2,0,0,0,0|1,0,1]=4 6652 B15R0.192 C=CCCCCN(C)CCC(C)C(=O)OC 2230a_100012000471_100000034942 [0,2,0,0,0,0|1,0,0]=3 6653 B15R0.192 C=CCCCCN(C)CCC(C)C(=O)OC 269982a_100012000471_100000034942 [0,2,0,0,0,0|1,0,0]=3 6654 B15R0.192 C=CCOCCC(=O)CCC(C)C(=O)OC 1458a_200011217002_100000034942 [0,2,0,0,0,0|1,0,1]=4 6655 B15R0.195 C=CCCCCC(=O)CCCC(=O)N(C)C 1458a_100011215552_100000737642 [0,2,0,0,0,0|1,0,1]=4 6656 B15R0.195 C=CCCCCN(C)CCCC(=O)N(C)C 2230a_100012000471_100000737642 [0,2,0,0,0,0|2,0,0]=4 6657 B15R0.195 C=CCCCCN(C)CCCC(=O)N(C)C 269982a_100012000471_100000737642 [0,2,0,0,0,0|2,0,0]=4 6658 B15R0.1957 C=CCCCCC(=O)N(C)CCC(=O)OC 11a_100025711912_100011215552 [0,2,0,0,0,0|1,0,1]=4 6659 B15R0.1957 C=CCCCCC(=O)N(C)CCC(=O)OC 1626a_100025711912_100011215552 [0,2,0,0,0,0|1,0,1]=4 6660 B15R0.1957 C=CCCCCC(=O)N(C)CCC(=O)OC 240690a_100025711912_100011215552 [0,2,0,0,0,0|1,0,1]=4 6661 B15R0.1957 C=CCCCCC(=O)N(C)CCC(=O)OC 527a_100025711912_100011215552 [0,2,0,0,0,0|1,0,1]=4 6662 B15R0.1957 C=CCCCCN(C)C(=O)CCC(=O)OC 11a_100012000471_100000187943 [0,2,0,0,0,0|1,0,1]=4 6663 B15R0.1957 C=CCCCCN(C)C(=O)CCC(=O)OC 1626a_100012000471_100000187943 [0,2,0,0,0,0|1,0,1]=4 6664 B15R0.1957 C=CCCCCN(C)C(=O)CCC(=O)OC 240690a_100012000471_100000187943 [0,2,0,0,0,0|1,0,1]=4 6665 B15R0.1957 C=CCCCCN(C)C(=O)CCC(=O)OC 527a_100012000471_100000187943 [0,2,0,0,0,0|1,0,1]=4 6666 B15R0.3192 C=CCCCC(=O)N(C)CCCC(=O)OC 240690a_100000739225_100000766728 [0,2,0,0,0,0|1,0,1]=4 6667 B15R0.3192 C=CCCCC(=O)N(C)CCCC(=O)OC 527a_100000739225_100000766728 [0,2,0,0,0,0|1,0,1]=4 6668 B15R0.3305 C=CCCCCC(=O)CC(C)CC(=O)OC 1458a_100000732146_100011215482 [0,2,0,0,0,0|0,0,1]=3 6669 B15R0.3305 C=CCCCCC(=O)N[C@H](C)CC(=O)OC 188690a_100016994721_100011215552 [0,2,0,0,0,0|1,0,1]=4 6670 B15R0.3305 C=CCCCNC(=O)CC(C)CC(=O)OC 11a_100000700776_100000732146 [0,2,0,0,0,0|1,0,1]=4 6671 B15R0.3305 C=CCCCNC(=O)CC(C)CC(=O)OC 1626a_100000700776_100000732146 [0,2,0,0,0,0|1,0,1]=4 6672 B15R0.3305 C=CCCCNC(=O)CC(C)CC(=O)OC 240690a_100000700776_100000732146 [0,2,0,0,0,0|1,0,1]=4 6673 B15R0.3305 C=CCCCNC(=O)CC(C)CC(=O)OC 527a_100000700776_100000732146 [0,2,0,0,0,0|1,0,1]=4 6674 B15R0.184 C=CC(C)C(=O)CCCCCCC(=O)OC 1458a_100011216780_100009815986 [0,2,0,0,0,0|0,0,1]=3 6675 B15R0.184 C=CC(C)C(=O)NCCCCCC(=O)OC 188690a_100000184999_100011216780 [0,2,0,0,0,0|1,0,1]=4 6676 B15R0.184 C=C[C@@H](C)[C@@H](C)OCCCCCC(=O)OC 34a_100015455354_100009816466 [0,2,0,0,0,0|1,0,0]=3 6677 B15R0.184 C=C[C@@H](C)[C@@H](C)OCCCCCC(=O)OC 7a_100015455354_100009816466 [0,2,0,0,0,0|1,0,0]=3 6678 B15R0.209 C#CCCC(=O)CCCCCCC(=O)OC 1458a_100000036694_100000753159 [0,2,0,0,0,0|0,0,2]=4 6679 B15R0.209 C#CCCC(=O)CCCCCCC(=O)OC 1458a_100000692101_100009815986 [0,2,0,0,0,0|0,0,2]=4 6680 B15R0.209 C/C=C/CC(=O)CCCCCCC(=O)OC 1458a_100000036694_100102629194 [0,2,0,0,0,0|0,0,1]=3 6681 B15R0.209 C=CC=CC(=O)CCCCCCC(=O)OC 1458a_100016291481_100009815986 [0,2,0,0,0,0|0,0,2]=4 6682 B15R0.209 C=CCCC(=O)CCCCCCC(=O)OC 1458a_100000036694_100000754431 [0,2,0,0,0,0|0,0,0]=2 6683 B15R0.209 C=CCCC(=O)CCCCCCC(=O)OC 1458a_100000749702_100009815986 [0,2,0,0,0,0|0,0,0]=2 6684 B15R0.209 C=CCCC(=O)NCCCCCC(=O)OC 188690a_100000184999_100000749702 [0,2,0,0,0,0|0,0,1]=3 6685 B15R0.209 C=CCCC(=O)NCCOCCC(=O)OC 188690a_100102954618_100000749702 [0,2,0,0,0,0|1,0,1]=4 6686 B15R0.209 C=CCCC(C)OCCCCCC(=O)OC 34a_100000765329_100009816466 [0,2,0,0,0,0|0,0,0]=2 6687 B15R0.209 C=CCCC(C)OCCCCCC(=O)OC 7a_100000765329_100009816466 [0,2,0,0,0,0|0,0,0]=2 6688 B15R0.209 C=CCCN(C)CCCCCCC(=O)OC 2230a_100020639649_100009815986 [0,2,0,0,0,0|0,0,0]=2 6689 B15R0.209 C=CCCN(C)CCCCCCC(=O)OC 269982a_100020639649_100009815986 [0,2,0,0,0,0|0,0,0]=2 6690 B15R0.209 C=CCNC(=O)CCCCCCC(=O)OC 1626a_100020586998_100000036694 [0,2,0,0,0,0|0,0,1]=3 6691 B15R0.209 C=CCNC(=O)CCCCCCC(=O)OC 240690a_100020586998_100000036694 [0,2,0,0,0,0|0,0,1]=3 6692 B15R0.209 C=CCNC(=O)CCSCCCC(=O)OC 62a_100011218270_100011222895 [0,2,0,0,0,0|1,0,1]=4 6693 B15R0.209 C=CCNC(=O)CCSCCCC(=O)OC 62a_100011222895_100011218270 [0,2,0,0,0,0|1,0,1]=4 6694 B15R0.209 C=CCNC(=O)COCCCCC(=O)OC 7a_100000059025_100000183597 [0,2,0,0,0,0|1,0,1]=4 6695 B15R0.209 C=CCNC(=O)CSCCCCC(=O)OC 62a_100000183597_100000204269 [0,2,0,0,0,0|1,0,1]=4 6696 B15R0.209 C=CCNC(=O)CSCCCCC(=O)OC 62a_100000204269_100000183597 [0,2,0,0,0,0|1,0,1]=4 6697 B15R0.209 C=CCOC(=O)COCCCCC(=O)OC 34a_100000059025_100000033060 [0,2,0,0,0,0|1,0,1]=4 6698 B15R0.209 C=CCOC(=O)COCCCCC(=O)OC 7a_100000059025_100000033060 [0,2,0,0,0,0|1,0,1]=4 6699 B15R0.209 C=CCOC(=O)CSCCCCC(=O)OC 62a_100000033060_100000204269 [0,2,0,0,0,0|1,0,1]=4 6700 B15R0.209 C=CCOC(=O)CSCCCCC(=O)OC 62a_100000204269_100000033060 [0,2,0,0,0,0|1,0,1]=4 6701 B15R0.209 CC=CCC(=O)CCCCCCC(=O)OC 1458a_100000036694_100000070051 [0,2,0,0,0,0|0,0,1]=3 6702 B15R0.209 CC=CCC(=O)CCCCCCC(=O)OC 1458a_100121576822_100009815986 [0,2,0,0,0,0|0,0,1]=3 6703 B15R0.209 CC=CCC(=O)NCCCCCC(=O)OC 188690a_100000184999_100121576822 [0,2,0,0,0,0|1,0,1]=4 6704 B15R0.209 CCCCC(=O)CCCCCCC(=O)OC 1458a_100000036694_100000210211 [0,2,0,0,0,0|0,0,2]=4 6705 B15R0.209 CCCCC(=O)CCCCCCC(=O)OC 1458a_100000210183_100009815986 [0,2,0,0,0,0|0,0,2]=4 6706 B15R0.209 CCCCC(C)CCCCOCC(=O)OC 34a_200011021034_100000747449 [0,2,0,0,0,0|0,0,2]=4 6707 B15R0.209 CCCCC(C)CCCCOCC(=O)OC 7a_200011021034_100000747449 [0,2,0,0,0,0|0,0,2]=4 6708 B15R0.209 CCCCC(C)COCCCCC(=O)OC 34a_100011995851_100000204269 [0,2,0,0,0,0|0,0,2]=4 6709 B15R0.209 CCCCC(C)COCCCCC(=O)OC 7a_100011995851_100000204269 [0,2,0,0,0,0|0,0,2]=4 6710 B15R0.209 CCCCC(C)NCCCCCC(=O)OC 2230a_100000126638_100009816466 [0,2,0,0,0,0|0,0,2]=4 6711 B15R0.209 CCCCC(C)OCCCCCC(=O)OC 34a_100000074720_200011215066 [0,2,0,0,0,0|0,0,2]=4 6712 B15R0.209 CCCCC(C)OCCCCCC(=O)OC 34a_100000687866_100009816466 [0,2,0,0,0,0|0,0,2]=4 6713 B15R0.209 CCCCC(C)OCCCCCC(=O)OC 7a_100000074720_200011215066 [0,2,0,0,0,0|0,0,2]=4 6714 B15R0.209 CCCCC(C)OCCCCCC(=O)OC 7a_100000687866_100009816466 [0,2,0,0,0,0|0,0,2]=4 6715 B15R0.209 CCCCC(C)SCCCCCC(=O)OC 62a_100009816466_200011215066 [0,2,0,0,0,0|0,0,2]=4 6716 B15R0.209 CCCCC(C)SCCCCCC(=O)OC 62a_200011215066_100009816466 [0,2,0,0,0,0|0,0,2]=4 6717 B15R0.209 CCCCN(C)CCCCCCC(=O)OC 2230a_100000207549_100009815986 [0,2,0,0,0,0|0,0,2]=4 6718 B15R0.209 CCCCN(C)CCCCCCC(=O)OC 269982a_100000207549_100009815986 [0,2,0,0,0,0|0,0,2]=4 6719 B15R0.209 CCCC[C@H](N)COCCCCC(=O)OC 34a_100011934283_100000204269 [0,2,0,0,0,0|0,0,2]=4 6720 B15R0.209 COC(=O)CCCCCCC(=O)CCC#N 1458a_100000036694_100011215226 [0,2,0,0,0,0|1,0,1]=4 6721 B15R0.209 COC(=O)CCCCCCC(=O)CCC#N 1458a_100011934036_100009815986 [0,2,0,0,0,0|1,0,1]=4 6722 B15R0.209 COC(=O)CCCCCCC(=O)CCCF 1458a_100000036694_100011934791 [0,2,0,0,0,0|1,0,1]=4 6723 B15R0.209 COC(=O)CCCCCCC(=O)CCCO 1458a_100000036694_100011215043 [0,2,0,0,0,0|1,0,1]=4 6724 B15R0.209 COC(=O)CCCCCCC(=O)CCSC 1458a_100000036694_100000751147 [0,2,0,0,0,0|1,0,1]=4 6725 B15R0.209 COC(=O)CCCCCCC(=O)CCSC 1458a_100000174002_100009815986 [0,2,0,0,0,0|1,0,1]=4 6726 B15R0.209 COC(=O)CCCCCCN(C)CCC#N 2230a_100000184479_100009815986 [0,2,0,0,0,0|1,0,1]=4 6727 B15R0.209 COC(=O)CCCCCCN(C)CCCO 2230a_100000213112_100009815986 [0,2,0,0,0,0|1,0,1]=4 6728 B15R0.209 COC(=O)CCCCCCN(C)CCCO 269982a_100000213112_100009815986 [0,2,0,0,0,0|1,0,1]=4 6729 B15R0.209 COC(=O)CCCCCCN(C)CCSC 2230a_100000686725_100009815986 [0,2,0,0,0,0|1,0,1]=4 6730 B15R0.209 COC(=O)CCCCCCN(C)CCSC 269982a_100000686725_100009815986 [0,2,0,0,0,0|1,0,1]=4 6731 B15R0.209 COC(=O)CCCCCOC(C)CCCCl 34a_200000718107_100009816466 [0,2,0,0,0,0|1,0,1]=4 6732 B15R0.209 COC(=O)CCCCCOC(C)CCCCl 7a_200000718107_100009816466 [0,2,0,0,0,0|1,0,1]=4 6733 B15R0.209 COC(=O)CCCCNC[C@H](C)CCCO 2230a_100160569302_100000204269 [0,2,0,0,0,0|1,0,1]=4 6734 B15R0.209 COC(=O)CCCCNC[C@H](C)CCCO 34a_100160569302_100000204269 [0,2,0,0,0,0|1,0,1]=4 6735 B15R0.209 COC(=O)CCCCOC[C@@H](N)CCSC 34a_100011827619_100000204269 [0,2,0,0,0,0|1,0,1]=4 6736 B15R0.209 COCCC(=O)CCCCCCC(=O)OC 1458a_100000036694_100000233755 [0,2,0,0,0,0|1,0,1]=4 6737 B15R0.209 COCCC(=O)CCCCCCC(=O)OC 1458a_100000749529_100009815986 [0,2,0,0,0,0|1,0,1]=4 6738 B15R0.209 COCCN(C)CCCCCCC(=O)OC 2230a_100000743101_100009815986 [0,2,0,0,0,0|1,0,1]=4 6739 B15R0.209 COCCN(C)CCCCCCC(=O)OC 269982a_100000743101_100009815986 [0,2,0,0,0,0|1,0,1]=4 6740 B15R0.251 C=C(C)CC(=O)CCCCCCC(=O)OC 1458a_100000036694_100000748629 [0,2,0,0,0,0|0,0,1]=3 6741 B15R0.251 C=C(C)CN(C)CCCCCCC(=O)OC 2230a_100000225649_100009815986 [0,2,0,0,0,0|1,0,0]=3 6742 B15R0.251 C=C(C)CN(C)CCCCCCC(=O)OC 269982a_100000225649_100009815986 [0,2,0,0,0,0|1,0,0]=3 6743 B15R0.251 C=C(F)CC(=O)CCCCCCC(=O)OC 1458a_100000036694_100009893438 [0,2,0,0,0,0|0,0,1]=3 6744 B15R0.251 COC(=O)CCCCCCC(=O)CC(=O)N 1458a_100000036694_100000187820 [0,2,0,0,0,0|1,0,1]=4 6745 B15R0.251 COC(=O)CCCCCCC(=O)CC(=O)N 1458a_100134613110_100009815986 [0,2,0,0,0,0|1,0,1]=4 6746 B15R0.251 COC(=O)CCCCCCC(=O)CC(=O)[O-] 1458a_100000036694_100020667443 [0,2,0,0,0,0|1,0,1]=4 6747 B15R0.251 COC(=O)CCCCCCN(C)CC(=O)N 2230a_100000739694_100009815986 [0,2,0,0,0,0|2,0,0]=4 6748 B15R0.251 COC(=O)CCCCCCN(C)CC(=O)O 269956a_100000746989_100009815986 [0,2,0,0,0,0|2,0,0]=4 6749 B15R0.251 COC(=O)CCCCNCC(O)CC(=O)O 269956a_100011218706_100000204269 [0,2,0,0,0,0|2,0,0]=4 6750 B15R0.309 C=CCC(C)C(=O)CCCCCC(=O)OC 1458a_100011216819_100009816466 [0,2,0,0,0,0|0,0,1]=3 6751 B15R0.309 C=CCC(C)C(=O)NCCCCC(=O)OC 188690a_100000746077_100011216819 [0,2,0,0,0,0|1,0,1]=4 6752 B15R0.309 C=CCN(C)C(=O)CCCCCC(=O)OC 11a_100000225617_100009848860 [0,2,0,0,0,0|1,0,1]=4 6753 B15R0.309 C=CCN(C)C(=O)CCCCCC(=O)OC 1626a_100000225617_100009848860 [0,2,0,0,0,0|1,0,1]=4 6754 B15R0.309 C=CCN(C)C(=O)CCCCCC(=O)OC 240690a_100000225617_100009848860 [0,2,0,0,0,0|1,0,1]=4 6755 B15R0.386 C=CCC(C)COCCCCC(=O)N(C)C 34a_100009832082_100000752486 [0,2,0,0,0,0|2,0,0]=4 6756 B15R0.386 C=CCC(C)COCCCCC(=O)N(C)C 7a_100009832082_100000752486 [0,2,0,0,0,0|2,0,0]=4 6757 B15R0.386 C=CC[C@@H](N)COCCCCC(=O)N(C)C 34a_100020615467_100000752486 [0,2,0,0,0,0|2,0,0]=4 6758 B15R0.408 C=CCC(=O)CCCCCCC(=O)OCC 1458a_100000031895_100000210623 [0,2,0,0,0,0|0,0,1]=3 6759 B15R0.408 C=CCC(=O)CCCCCCC(=O)OCC 1458a_100000210193_100009814379 [0,2,0,0,0,0|0,0,1]=3 6760 B15R0.408 C=CCC(=O)NCCCCCC(=O)OCC 188690a_100000062434_100000210193 [0,2,0,0,0,0|1,0,1]=4 6761 B15R0.408 C=CCC(C)COCCCCC(=O)OCC 34a_100009832082_100000750268 [0,2,0,0,0,0|1,0,0]=3 6762 B15R0.408 C=CCC(C)COCCCCC(=O)OCC 7a_100009832082_100000750268 [0,2,0,0,0,0|1,0,0]=3 6763 B15R0.408 C=CCC(C)COCCOCC(=O)OCC 34a_100009832082_100000088970 [0,2,0,0,0,0|2,0,0]=4 6764 B15R0.408 C=CCC(C)COCCOCC(=O)OCC 7a_100009832082_100000088970 [0,2,0,0,0,0|2,0,0]=4 6765 B15R0.408 C=CCN(C)CCCCCCC(=O)OCC 2230a_100000225617_100009814379 [0,2,0,0,0,0|1,0,0]=3 6766 B15R0.408 C=CCN(C)CCCCCCC(=O)OCC 269982a_100000225617_100009814379 [0,2,0,0,0,0|1,0,0]=3 6767 B15R0.408 C=CC[C@@H](C)OCCCCCC(=O)OCC 34a_100000731007_100000755133 [0,2,0,0,0,0|1,0,0]=3 6768 B15R0.408 C=CC[C@@H](C)OCCCCCC(=O)OCC 7a_100000731007_100000755133 [0,2,0,0,0,0|1,0,0]=3 6769 B15R0.408 C=CC[C@@H](C)OCCCOCC(=O)OCC 34a_100000731007_100009893628 [0,2,0,0,0,0|2,0,0]=4 6770 B15R0.408 C=CC[C@@H](C)OCCCOCC(=O)OCC 7a_100000731007_100009893628 [0,2,0,0,0,0|2,0,0]=4 6771 B15R0.408 C=CC[C@@H](N)COCCCCC(=O)OCC 34a_100020615467_100000750268 [0,2,0,0,0,0|1,0,0]=3 6772 B15R0.408 C=CC[C@@H](N)COCCOCC(=O)OCC 34a_100020615467_100000088970 [0,2,0,0,0,0|2,0,0]=4 6773 B15R0.1661 C=CCC(C=C)OCCCCCC(=O)OC 34a_100000038011_100009816466 [0,2,0,0,0,0|1,0,0]=3 6774 B15R0.1661 C=CCC(C=C)OCCCCCC(=O)OC 7a_100000038011_100009816466 [0,2,0,0,0,0|1,0,0]=3 6775 B15R0.1661 C=CC[C@H](CO)NCCCCCC(=O)OC 2230a_100020615467_100009816466 [0,2,0,0,0,0|1,0,0]=3 6776 B15R0.3040 C=CCC(C)COCC(=O)CCC(=O)OC 34a_100009832082_100000691467 [0,2,0,0,0,0|1,0,1]=4 6777 B15R0.3040 C=CCC(C)COCC(=O)CCC(=O)OC 7a_100009832082_100000691467 [0,2,0,0,0,0|1,0,1]=4 6778 B15R0.3040 C=CC[C@@H](N)COCC(=O)CCC(=O)OC 34a_100020615467_100000691467 [0,2,0,0,0,0|1,0,1]=4 6779 B15R0.4331 C=CCC(C)(C)OCCCCCC(=O)OC 7a_100011995686_100009816466 [0,2,0,0,0,0|1,0,0]=3 6780 B15R0.4331 C=CC[Si](C)(C)COCCCCC(=O)OC 7a_100000059025_100000046978 [0,2,0,0,0,0|1,1,0]=4 6781 B15R0.4331 C=CC[Si](C)(C)CSCCCCC(=O)OC 62a_100000046978_100000204269 [0,2,0,0,0,0|1,1,0]=4 6782 B15R0.4331 C=CC[Si](C)(C)CSCCCCC(=O)OC 62a_100000204269_100000046978 [0,2,0,0,0,0|1,1,0]=4 6783 B15R0.85 C=CCCCCCC(=O)C(C)CC(=O)OC 1458a_100000037256_100000700193 [0,2,0,0,0,0|0,0,1]=3 6784 B15R0.85 C=CCCCCCC(=O)N(C)CC(=O)OC 11a_100000198492_100011934241 [0,2,0,0,0,0|1,0,1]=4 6785 B15R0.85 C=CCCCCCC(=O)N(C)CC(=O)OC 1626a_100000198492_100011934241 [0,2,0,0,0,0|1,0,1]=4 6786 B15R0.85 C=CCCCCCC(=O)N(C)CC(=O)OC 240690a_100000198492_100011934241 [0,2,0,0,0,0|1,0,1]=4 6787 B15R0.85 C=CCCCCCC(=O)N(C)CC(=O)OC 527a_100000198492_100011934241 [0,2,0,0,0,0|1,0,1]=4 6788 B15R0.85 C=CCCCCCN(C)C(C)CC(=O)NC 2230a_100015186911_100000700193 [0,2,0,0,0,0|2,0,0]=4 6789 B15R0.85 C=CCCCCCN(C)C(C)CC(=O)NC 269982a_100015186911_100000700193 [0,2,0,0,0,0|2,0,0]=4 6790 B15R0.85 C=CCCCCNC(=O)C(C)CC(=O)OC 1626a_100000703577_100000037256 [0,2,0,0,0,0|1,0,1]=4 6791 B15R0.85 C=CCCCCNC(=O)C(C)CC(=O)OC 240690a_100000703577_100000037256 [0,2,0,0,0,0|1,0,1]=4 6792 B15R0.85 C=CCCCCNC(=O)C(C)CC(=O)OC 527a_100000703577_100000037256 [0,2,0,0,0,0|1,0,1]=4 6793 B15R0.85 C=CCCCCO[C@H](C)C(=O)CC(=O)OC 1458a_200020631580_100000747449 [0,2,0,0,0,0|1,0,1]=4 6794 B15R0.85 C=CCCCCSC(C)C(=O)CC(=O)OC 62a_100009997173_100011215482 [0,2,0,0,0,0|1,0,1]=4 6795 B15R0.85 C=CCCCCSC(C)C(=O)CC(=O)OC 62a_100011215482_100009997173 [0,2,0,0,0,0|1,0,1]=4 6796 B15R0.99 COC(=O)CC(C)OCCCCCC(=O)N 34a_100000123541_100009817358 [0,2,0,0,0,0|2,0,0]=4 6797 B15R0.99 COC(=O)CC(C)OCCCCCC(=O)N 7a_100000123541_100009817358 [0,2,0,0,0,0|2,0,0]=4 6798 B15R0.99 COC(=O)CC(C)OCCCCCC(=O)[O-] 7a_100102619762_100009817358 [0,2,0,0,0,0|2,0,0]=4 6799 B15R0.99 COC(=O)CC(C)SCCCCCC(=O)N 62a_100009817358_100009817443 [0,2,0,0,0,0|2,0,0]=4 6800 B15R0.99 COC(=O)CC(C)SCCCCCC(=O)N 62a_100009817443_100009817358 [0,2,0,0,0,0|2,0,0]=4 6801 B15R0.99 COC(=O)C[C@@H](O)CNCCCCC(=O)N 34a_100000696515_100000754131 [0,2,0,0,0,0|2,0,0]=4 6802 B15R0.99 COC(=O)C[C@@H](O)COCCCCC(=O)N 34a_100012022536_100000754131 [0,2,0,0,0,0|2,0,0]=4 6803 B15R0.99 COC(=O)C[C@@H](O)COCCCCC(=O)N 7a_100012022536_100000754131 [0,2,0,0,0,0|2,0,0]=4 6804 B15R0.99 COC(=O)C[C@@H](O)CSCCCCC(=O)C 62a_100000735457_100000754131 [0,2,0,0,0,0|1,0,1]=4 6805 B15R0.99 COC(=O)C[C@@H](O)CSCCCCC(=O)C 62a_100000754131_100000735457 [0,2,0,0,0,0|1,0,1]=4 6806 B15R0.175 C=CC(C)CC(=O)CCCCCC(=O)OC 1458a_100011934298_100009816466 [0,2,0,0,0,0|0,0,1]=3 6807 B15R0.175 C=CC(C)CC(=O)NCCCCC(=O)OC 188690a_100000746077_100011934298 [0,2,0,0,0,0|1,0,1]=4 6808 B15R0.370 C=CCCCCCCC(=O)CC(=O)CCC 1458a_100011809334_100000747444 [0,2,0,0,0,0|1,0,1]=4 6809 B15R0.370 C=CCCCCCCC(=O)CC(=O)NCC 1458a_100011809334_100000183381 [0,2,0,0,0,0|1,0,1]=4 6810 B15R0.370 C=CCCCCCCC(=O)CC(=O)NCO 1458a_100011809334_100000185155 [0,2,0,0,0,0|1,0,1]=4 6811 B15R0.370 C=CCCCCCCC(=O)CC(=O)OC=C 1458a_100011809334_100000036128 [0,2,0,0,0,0|0,0,2]=4 6812 B15R0.370 C=CCCCCCCC(=O)CC(=O)OCC 1458a_100000243816_100011215473 [0,2,0,0,0,0|0,0,1]=3 6813 B15R0.370 C=CCCCCCCC(=O)CC(=O)OCC 1458a_100011809334_100000188475 [0,2,0,0,0,0|0,0,1]=3 6814 B15R0.370 C=CCCCCCCN(C)CC(=O)NCC 2230a_100000741943_100011215473 [0,2,0,0,0,0|2,0,0]=4 6815 B15R0.370 C=CCCCCCCN(C)CC(=O)NCC 269982a_100000741943_100011215473 [0,2,0,0,0,0|2,0,0]=4 6816 B15R0.370 C=CCCCCCCN(C)CC(=O)OCC 2230a_100000220588_100011215473 [0,2,0,0,0,0|1,0,0]=3 6817 B15R0.370 C=CCCCCCOC(C)CC(=O)OCC 7a_100011216702_100009817359 [0,2,0,0,0,0|1,0,0]=3 6818 B15R0.370 C=CCCCCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000700193 [0,2,0,0,0,0|1,0,0]=3 6819 B15R0.370 C=CCCCCCSC(C)CC(=O)OCC 62a_100000700193_100009817359 [0,2,0,0,0,0|1,0,0]=3 6820 B15R0.370 C=CCCCCCSC(C)CC(=O)OCC 62a_100009817359_100000700193 [0,2,0,0,0,0|1,0,0]=3 6821 B15R0.370 C=CCCCCCSC(C)OC(=O)OCC 62a_100000036008_100000700193 [0,2,0,0,0,0|2,0,0]=4 6822 B15R0.370 C=CCCCCCSC(C)OC(=O)OCC 62a_100000700193_100000036008 [0,2,0,0,0,0|2,0,0]=4 6823 B15R0.370 C=CCCCCNC[C@@H](O)CC(=O)OCC 34a_100000703577_100000688340 [0,2,0,0,0,0|1,0,0]=3 6824 B15R0.370 C=CCCCCOC[C@@H](O)CC(=O)OCC 34a_100000766645_100000688340 [0,2,0,0,0,0|1,0,0]=3 6825 B15R0.370 C=CCCCCOC[C@@H](O)CC(=O)OCC 7a_100000766645_100000688340 [0,2,0,0,0,0|1,0,0]=3 6826 B15R0.370 C=CCCCCSCC(=O)CC(=O)OCC 62a_100000210311_100011215482 [0,2,0,0,0,0|1,0,1]=4 6827 B15R0.370 C=CCCCCSCC(=O)CC(=O)OCC 62a_100011215482_100000210311 [0,2,0,0,0,0|1,0,1]=4 6828 B15R0.370 C=CCCCCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100011215482 [0,2,0,0,0,0|1,0,0]=3 6829 B15R0.370 C=CCCCCSC[C@@H](O)CC(=O)OCC 62a_100011215482_100000688340 [0,2,0,0,0,0|1,0,0]=3 6830 B15R0.370 C=CCOCCOC[C@@H](O)CC(=O)OCC 34a_100000037705_100000688340 [0,2,0,0,0,0|2,0,0]=4 6831 B15R0.370 C=CCOCCOC[C@@H](O)CC(=O)OCC 7a_100000037705_100000688340 [0,2,0,0,0,0|2,0,0]=4 6832 B15R0.370 C=COCCCCOC(C)CC(=O)OCC 7a_100000031558_100009817359 [0,2,0,0,0,0|2,0,0]=4 6833 B15R0.370 C=COCCCNC[C@@H](O)CC(=O)OCC 34a_100000210767_100000688340 [0,2,0,0,0,0|2,0,0]=4 6834 B15R0.370 CCOC(=O)CC(C)SCCCCCC=O 62a_100000139337_100009817359 [0,2,0,0,0,0|2,0,0]=4 6835 B15R0.370 CCOC(=O)CC(C)SCCCCCC=O 62a_100009817359_100000139337 [0,2,0,0,0,0|2,0,0]=4 6836 B15R0.370 CCOC(=O)C[C@@H](C)OCCCCCC=O 7a_100009816390_100000139337 [0,2,0,0,0,0|2,0,0]=4 6837 B15R0.370 CCOC(=O)C[C@H](O)CSCCCCC=O 62a_100000139335_100000688340 [0,2,0,0,0,0|2,0,0]=4 6838 B15R0.370 CCOC(=O)C[C@H](O)CSCCCCC=O 62a_100000688340_100000139335 [0,2,0,0,0,0|2,0,0]=4 6839 B15R0.1677 C=CCCCCCCC(=O)C(C)C(=O)CC 1458a_100011809334_100000742827 [0,2,0,0,0,0|1,0,1]=4 6840 B15R0.1677 C=CCCCCCCC(=O)C(C)C(=O)NC 1458a_100011809334_100000209862 [0,2,0,0,0,0|1,0,1]=4 6841 B15R0.1677 C=CCCCCCCC(=O)C(C)C(=O)OC 1458a_100011809334_100000211248 [0,2,0,0,0,0|0,0,1]=3 6842 B15R0.1677 C=CCCCCCCC(=O)C(C)C(=O)OC 1458a_100012027023_100011215473 [0,2,0,0,0,0|0,0,1]=3 6843 B15R0.1677 C=CCCCCCCC(=O)C(F)C(=O)NC 1458a_100011809334_100009813575 [0,2,0,0,0,0|1,0,1]=4 6844 B15R0.1677 C=CCCCCCCN(C)C(C)C(=O)OC 2230a_100000725243_100011215473 [0,2,0,0,0,0|1,0,0]=3 6845 B15R0.1677 C=CCCCCCCN(C)C(C)C(=O)OC 269982a_100000725243_100011215473 [0,2,0,0,0,0|1,0,0]=3 6846 B15R0.1677 C=CCCCCCOC(C)C(=O)C(=O)OC 34a_100011216702_100000692041 [0,2,0,0,0,0|1,0,1]=4 6847 B15R0.1677 C=CCCCCCO[C@H](C)[C@H](N)C(=O)NC 34a_100102634413_100000700193 [0,2,0,0,0,0|2,0,0]=4 6848 B15R0.1677 C=CCCCCCO[C@H](C)[C@H](N)C(=O)OC 34a_100000004424_100000700193 [0,2,0,0,0,0|1,0,0]=3 6849 B15R0.1677 C=CCCCCCSC(C)C(=O)C(=O)OC 62a_100000692041_100000700193 [0,2,0,0,0,0|1,0,1]=4 6850 B15R0.1677 C=CCCCCCSC(C)C(=O)C(=O)OC 62a_100000700193_100000692041 [0,2,0,0,0,0|1,0,1]=4 6851 B15R0.3221 C#CCCCCCCCC(=O)CC(=O)OC 1458a_100000087357_100000747449 [0,2,0,0,0,0|0,0,2]=4 6852 B15R0.3221 C#CCCCCCCCC(=O)CC(=O)OC 1458a_100000211351_100153394163 [0,2,0,0,0,0|0,0,2]=4 6853 B15R0.3221 C#CCCCCCCCN(C)CC(=O)OC 2230a_100000198492_100153394163 [0,2,0,0,0,0|0,0,2]=4 6854 B15R0.3221 C#CCCCCCCOC(C)CC(=O)OC 34a_100011217361_100009817358 [0,2,0,0,0,0|0,0,2]=4 6855 B15R0.3221 C#CCCCCCCOC(C)CC(=O)OC 7a_100011217361_100009817358 [0,2,0,0,0,0|0,0,2]=4 6856 B15R0.3221 C#CCCCCCCSC(C)CC(=O)OC 62a_100009817358_100012276617 [0,2,0,0,0,0|0,0,2]=4 6857 B15R0.3221 C#CCCCCCCSC(C)CC(=O)OC 62a_100012276617_100009817358 [0,2,0,0,0,0|0,0,2]=4 6858 B15R0.3221 C#CCCCCCOC[C@H](O)CC(=O)OC 34a_100000766912_100000754131 [0,2,0,0,0,0|0,0,2]=4 6859 B15R0.3221 C#CCCCCCOC[C@H](O)CC(=O)OC 7a_100000766912_100000754131 [0,2,0,0,0,0|0,0,2]=4 6860 B15R0.3221 C#CCCCCCSC[C@H](O)CC(=O)OC 62a_100000754131_100012094781 [0,2,0,0,0,0|0,0,2]=4 6861 B15R0.3221 C#CCCCCCSC[C@H](O)CC(=O)OC 62a_100012094781_100000754131 [0,2,0,0,0,0|0,0,2]=4 6862 B15R0.3221 C=CCCC/C=C/COC(C)CC(=O)OC 34a_200016268473_100009817358 [0,2,0,0,0,0|0,0,2]=4 6863 B15R0.3221 C=CCCC/C=C/COC(C)CC(=O)OC 7a_200016268473_100009817358 [0,2,0,0,0,0|0,0,2]=4 6864 B15R0.3221 C=CCCCCCCCC(=O)CC(=O)CC 1458a_100011216160_100000747405 [0,2,0,0,0,0|1,0,0]=3 6865 B15R0.3221 C=CCCCCCCCC(=O)CC(=O)NC 1458a_100011216160_100000183359 [0,2,0,0,0,0|1,0,0]=3 6866 B15R0.3221 C=CCCCCCCCC(=O)CC(=O)OC 1458a_100000211351_100012355270 [0,2,0,0,0,0|0,0,0]=2 6867 B15R0.3221 C=CCCCCCCCC(=O)CC(=O)OC 1458a_100011216160_100000747449 [0,2,0,0,0,0|0,0,0]=2 6868 B15R0.3221 C=CCCCCCCCN(C)CC(=O)NC 2230a_100000189611_100012355270 [0,2,0,0,0,0|1,0,0]=3 6869 B15R0.3221 C=CCCCCCCCN(C)CC(=O)OC 2230a_100000198492_100012355270 [0,2,0,0,0,0|0,0,0]=2 6870 B15R0.3221 C=CCCCCCCOC(C)CC(=O)OC 34a_200011216477_100009817358 [0,2,0,0,0,0|0,0,0]=2 6871 B15R0.3221 C=CCCCCCCOC(C)CC(=O)OC 7a_200011216477_100009817358 [0,2,0,0,0,0|0,0,0]=2 6872 B15R0.3221 C=CCCCCCCSC(C)CC(=O)OC 62a_100009817358_100011215473 [0,2,0,0,0,0|0,0,0]=2 6873 B15R0.3221 C=CCCCCCCSC(C)CC(=O)OC 62a_100011215473_100009817358 [0,2,0,0,0,0|0,0,0]=2 6874 B15R0.3221 C=CCCCCCOC[C@H](O)CC(=O)OC 34a_100011216702_100000754131 [0,2,0,0,0,0|0,0,0]=2 6875 B15R0.3221 C=CCCCCCOC[C@H](O)CC(=O)OC 7a_100011216702_100000754131 [0,2,0,0,0,0|0,0,0]=2 6876 B15R0.3221 C=CCCCCCSCC(=O)CC(=O)OC 62a_100000210525_100000700193 [0,2,0,0,0,0|0,0,1]=3 6877 B15R0.3221 C=CCCCCCSCC(=O)CC(=O)OC 62a_100000700193_100000210525 [0,2,0,0,0,0|0,0,1]=3 6878 B15R0.3221 C=CCCCCCSCC(=O)NC(=O)OC 62a_100000700193_100000010850 [0,2,0,0,0,0|1,0,1]=4 6879 B15R0.3221 C=CCCCCCSC[C@H](O)CC(=O)OC 62a_100000700193_100000754131 [0,2,0,0,0,0|0,0,0]=2 6880 B15R0.3221 C=CCCCCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000700193 [0,2,0,0,0,0|0,0,0]=2 6881 B15R0.3221 C=COCCCCOC[C@H](O)CC(=O)OC 34a_100000031558_100000754131 [0,2,0,0,0,0|1,0,0]=3 6882 B15R0.3221 C=COCCCCOC[C@H](O)CC(=O)OC 7a_100000031558_100000754131 [0,2,0,0,0,0|1,0,0]=3 6883 B15R0.3221 C=COCCOCCOC(C)CC(=O)OC 34a_100000039918_100009817358 [0,2,0,0,0,0|2,0,0]=4 6884 B15R0.3221 C=COCCOCCOC(C)CC(=O)OC 7a_100000039918_100009817358 [0,2,0,0,0,0|2,0,0]=4 6885 B15R0.3221 CCCCCCCCCC(=O)CC(=O)OC 1458a_100000210558_100000747449 [0,2,0,0,0,0|0,0,2]=4 6886 B15R0.3221 CCCCCCCCCC(=O)CC(=O)OC 1458a_100000211351_100000210670 [0,2,0,0,0,0|0,0,2]=4 6887 B15R0.3221 CCCCCCCCCN(C)CC(=O)OC 2230a_100000198492_100011214924 [0,2,0,0,0,0|0,0,2]=4 6888 B15R0.3221 CCCCCCCCCN(C)CC(=O)OC 2230a_100000232482_100000747449 [0,2,0,0,0,0|0,0,2]=4 6889 B15R0.3221 CCCCCCCCCN(C)CC(=O)OC 269982a_100000232482_100000747449 [0,2,0,0,0,0|0,0,2]=4 6890 B15R0.3221 CCCCCCCCNC(C)CC(=O)OC 2230a_100000229939_100009817358 [0,2,0,0,0,0|0,0,2]=4 6891 B15R0.3221 CCCCCCCCNC(C)CC(=O)OC 34a_100000229939_100009817358 [0,2,0,0,0,0|0,0,2]=4 6892 B15R0.3221 CCCCCCCCOC(C)CC(=O)OC 34a_100000210232_100009817358 [0,2,0,0,0,0|0,0,2]=4 6893 B15R0.3221 CCCCCCCCOC(C)CC(=O)OC 7a_100000210232_100009817358 [0,2,0,0,0,0|0,0,2]=4 6894 B15R0.3221 CCCCCCCCSC(C)CC(=O)OC 62a_100000210759_100009817358 [0,2,0,0,0,0|0,0,2]=4 6895 B15R0.3221 CCCCCCCCSC(C)CC(=O)OC 62a_100009817358_100000210317 [0,2,0,0,0,0|0,0,2]=4 6896 B15R0.3221 CCCCCCCOC[C@H](O)CC(=O)OC 34a_100000210272_100000754131 [0,2,0,0,0,0|0,0,2]=4 6897 B15R0.3221 CCCCCCCOC[C@H](O)CC(=O)OC 7a_100000210272_100000754131 [0,2,0,0,0,0|0,0,2]=4 6898 B15R0.3221 CCCCCCCSC[C@H](O)CC(=O)OC 62a_100000210614_100000754131 [0,2,0,0,0,0|0,0,2]=4 6899 B15R0.3221 CCCCCCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000210316 [0,2,0,0,0,0|0,0,2]=4 6900 B15R0.3221 CNCCCCCOC[C@H](O)CC(=O)OC 34a_100000722520_100000754131 [0,2,0,0,0,0|1,0,1]=4 6901 B15R0.3221 COC(=O)CC(=O)CCCCCCCCO 1458a_100000211351_100000033203 [0,2,0,0,0,0|1,0,1]=4 6902 B15R0.3221 COC(=O)CC(=O)CSCCCCCC=O 62a_100000139337_100000210525 [0,2,0,0,0,0|1,0,1]=4 6903 B15R0.3221 COC(=O)CC(=O)CSCCCCCC=O 62a_100000210525_100000139337 [0,2,0,0,0,0|1,0,1]=4 6904 B15R0.3221 COC(=O)CC(C)NCCCCCCCO 2230a_100011996573_100009817358 [0,2,0,0,0,0|1,0,1]=4 6905 B15R0.3221 COC(=O)CC(C)NCCCCCCCO 34a_100011996573_100009817358 [0,2,0,0,0,0|1,0,1]=4 6906 B15R0.3221 COC(=O)CC(C)OCCCCCCCBr 34a_100000760002_100009817358 [0,2,0,0,0,0|1,0,1]=4 6907 B15R0.3221 COC(=O)CC(C)OCCCCCCCBr 7a_100000760002_100009817358 [0,2,0,0,0,0|1,0,1]=4 6908 B15R0.3221 COC(=O)CC(C)OCCCCCCCN 34a_100011996573_100009817358 [0,2,0,0,0,0|1,0,1]=4 6909 B15R0.3221 COC(=O)CC(C)SCCCCCCC#N 62a_100009813337_100009817358 [0,2,0,0,0,0|1,0,1]=4 6910 B15R0.3221 COC(=O)CC(C)SCCCCCCC#N 62a_100009817358_100009813337 [0,2,0,0,0,0|1,0,1]=4 6911 B15R0.3221 COC(=O)CC(C)SCCCCCCCO 62a_100000760002_100009817358 [0,2,0,0,0,0|1,0,1]=4 6912 B15R0.3221 COC(=O)CC(C)SCCCCCCCO 62a_100009817358_100000760002 [0,2,0,0,0,0|1,0,1]=4 6913 B15R0.3221 COC(=O)CN(C)CCCCCCCCO 2230a_100000198492_100000033203 [0,2,0,0,0,0|1,0,1]=4 6914 B15R0.3221 COC(=O)C[C@@H](O)CNCCCCCCO 34a_100000686447_100000754131 [0,2,0,0,0,0|1,0,1]=4 6915 B15R0.3221 COC(=O)C[C@@H](O)COCCCCCCBr 34a_100011215345_100000754131 [0,2,0,0,0,0|1,0,1]=4 6916 B15R0.3221 COC(=O)C[C@@H](O)COCCCCCCBr 7a_100011215345_100000754131 [0,2,0,0,0,0|1,0,1]=4 6917 B15R0.3221 COC(=O)C[C@@H](O)COCCCCCCCl 34a_100000766143_100000754131 [0,2,0,0,0,0|1,0,1]=4 6918 B15R0.3221 COC(=O)C[C@@H](O)COCCCCCCCl 7a_100000766143_100000754131 [0,2,0,0,0,0|1,0,1]=4 6919 B15R0.3221 COC(=O)C[C@@H](O)COCCCCCCF 34a_100000732779_100000754131 [0,2,0,0,0,0|1,0,1]=4 6920 B15R0.3221 COC(=O)C[C@@H](O)COCCCCCCF 7a_100000732779_100000754131 [0,2,0,0,0,0|1,0,1]=4 6921 B15R0.3221 COC(=O)C[C@@H](O)COCCCCCCN 34a_100000686447_100000754131 [0,2,0,0,0,0|1,0,1]=4 6922 B15R0.3221 COC(=O)C[C@@H](O)CSCCCCCC#N 62a_100000754131_100009813376 [0,2,0,0,0,0|1,0,1]=4 6923 B15R0.3221 COC(=O)C[C@@H](O)CSCCCCCC#N 62a_100009813376_100000754131 [0,2,0,0,0,0|1,0,1]=4 6924 B15R0.3221 COC(=O)C[C@@H](O)CSCCCCCC=O 62a_100000139337_100000754131 [0,2,0,0,0,0|1,0,0]=3 6925 B15R0.3221 COC(=O)C[C@@H](O)CSCCCCCC=O 62a_100000754131_100000139337 [0,2,0,0,0,0|1,0,0]=3 6926 B15R0.3221 COC(=O)C[C@@H](O)CSCCCCCCF 62a_100000754131_100015922095 [0,2,0,0,0,0|1,0,1]=4 6927 B15R0.3221 COC(=O)C[C@@H](O)CSCCCCCCF 62a_100015922095_100000754131 [0,2,0,0,0,0|1,0,1]=4 6928 B15R0.3221 COC(=O)C[C@@H](O)CSCCCCCCO 62a_100000754131_100000766143 [0,2,0,0,0,0|1,0,1]=4 6929 B15R0.3221 COC(=O)C[C@@H](O)CSCCCCCCO 62a_100000766143_100000754131 [0,2,0,0,0,0|1,0,1]=4 6930 B15R0.3221 COCCCCCCOC(C)CC(=O)OC 34a_200012092642_100009817358 [0,2,0,0,0,0|1,0,1]=4 6931 B15R0.3221 COCCCCCCOC(C)CC(=O)OC 7a_200012092642_100009817358 [0,2,0,0,0,0|1,0,1]=4 6932 B15R0.3221 COCCCCCCSC(C)CC(=O)OC 62a_100009817358_100011998445 [0,2,0,0,0,0|1,0,1]=4 6933 B15R0.3221 COCCCCCCSC(C)CC(=O)OC 62a_100011998445_100009817358 [0,2,0,0,0,0|1,0,1]=4 6934 B15R0.3221 COCCCCCNC[C@H](O)CC(=O)OC 34a_100000747528_100000754131 [0,2,0,0,0,0|1,0,1]=4 6935 B15R0.3230 C=CCCCCCCC(=O)CC(=O)C(=O)C 1458a_100011809334_100011261029 [0,2,0,0,0,0|1,0,1]=4 6936 B15R0.3230 C=CCCCCCCC(=O)CC(=O)C(C)C 1458a_100011809334_100000753385 [0,2,0,0,0,0|1,0,1]=4 6937 B15R0.3230 C=CCCCCCCC(=O)CC(=O)N(C)C 1458a_100011809334_100000185267 [0,2,0,0,0,0|1,0,1]=4 6938 B15R0.3230 C=CCCCCCCN(C)CC(=O)N(C)C 2230a_100000185065_100011215473 [0,2,0,0,0,0|2,0,0]=4 6939 B15R0.3233 C=CCCCCCO[C@@H](CC)CC(=O)OC 7a_200015357724_100000700193 [0,2,0,0,0,0|1,0,0]=3 6940 B15R0.3233 C=CCCCCCO[C@@H](CCl)CC(=O)OC 7a_100000754131_100000700193 [0,2,0,0,0,0|1,0,0]=3 6941 B15R0.3233 CC[C@@H](CC(=O)OC)OCCCCCC=O 7a_200015357724_100000139337 [0,2,0,0,0,0|2,0,0]=4 6942 B15R0.3233 COC(=O)C[C@H](CCl)OCCCCCC=O 7a_100000754131_100000139337 [0,2,0,0,0,0|2,0,0]=4 6943 B15R0.3281 C=CCCCC(=O)NCC(O)CC(=O)OC 188690a_100025770978_100000766728 [0,2,0,0,0,0|1,0,1]=4 6944 B15R0.4412 C=CCCCCCOC(C)(C)CC(=O)OC 7a_100015205050_100000700193 [0,2,0,0,0,0|1,0,0]=3 6945 B15R0.4412 COC(=O)CC(C)(C)OCCCCCC=O 7a_100015205050_100000139337 [0,2,0,0,0,0|2,0,0]=4 6946 B15R0.136 C=CCCCCCC(=O)CCC(=O)NCC 1458a_100000199579_100000700193 [0,2,0,0,0,0|1,0,1]=4 6947 B15R0.136 C=CCCCCCC(=O)CCC(=O)OCC 1458a_100000183558_100000700193 [0,2,0,0,0,0|0,0,1]=3 6948 B15R0.136 C=CCCCCCC(=O)CNC(=O)OCC 1458a_100000190774_100000700193 [0,2,0,0,0,0|1,0,1]=4 6949 B15R0.136 C=CCCCCCC(=O)NCC(=O)OCC 188690a_100000741813_100011934241 [0,2,0,0,0,0|1,0,1]=4 6950 B15R0.136 C=CCCCCCN(C)CCC(=O)OCC 2230a_100000745921_100000700193 [0,2,0,0,0,0|1,0,0]=3 6951 B15R0.136 C=CCCCCCN(C)CCC(=O)OCC 269982a_100000745921_100000700193 [0,2,0,0,0,0|1,0,0]=3 6952 B15R0.136 C=CCCCCNC(=O)CCC(=O)OCC 11a_100000703577_100000183558 [0,2,0,0,0,0|1,0,1]=4 6953 B15R0.136 C=CCCCCNC(=O)CCC(=O)OCC 1626a_100000703577_100000183558 [0,2,0,0,0,0|1,0,1]=4 6954 B15R0.136 C=CCCCCNC(=O)CCC(=O)OCC 240690a_100000703577_100000183558 [0,2,0,0,0,0|1,0,1]=4 6955 B15R0.136 C=CCCCCNC(C)CCC(=O)OCC 2230a_100000703577_100000748298 [0,2,0,0,0,0|1,0,0]=3 6956 B15R0.136 C=CCCCCNC(C)CCC(=O)OCC 34a_100000703577_100000748298 [0,2,0,0,0,0|1,0,0]=3 6957 B15R0.136 C=CCCCCOC(C)CCC(=O)OCC 34a_100000766645_100000748298 [0,2,0,0,0,0|1,0,0]=3 6958 B15R0.136 C=CCCCCOC(C)CCC(=O)OCC 7a_100000766645_100000748298 [0,2,0,0,0,0|1,0,0]=3 6959 B15R0.136 C=CCCCCSC(C)CCC(=O)OCC 62a_100000748298_100011215482 [0,2,0,0,0,0|1,0,0]=3 6960 B15R0.136 C=CCCCCSC(C)CCC(=O)OCC 62a_100011215482_100000748298 [0,2,0,0,0,0|1,0,0]=3 6961 B15R0.136 C=CCOCCOC(C)CCC(=O)OCC 34a_100000037705_100000748298 [0,2,0,0,0,0|2,0,0]=4 6962 B15R0.136 C=CCOCCOC(C)CCC(=O)OCC 7a_100000037705_100000748298 [0,2,0,0,0,0|2,0,0]=4 6963 B15R0.136 C=COCCCNC(C)CCC(=O)OCC 2230a_100000210767_100000748298 [0,2,0,0,0,0|2,0,0]=4 6964 B15R0.136 C=COCCCNC(C)CCC(=O)OCC 34a_100000210767_100000748298 [0,2,0,0,0,0|2,0,0]=4 6965 B15R0.136 CCOC(=O)CCC(C)SCCCCC=O 62a_100000139335_100000748298 [0,2,0,0,0,0|2,0,0]=4 6966 B15R0.136 CCOC(=O)CCC(C)SCCCCC=O 62a_100000748298_100000139335 [0,2,0,0,0,0|2,0,0]=4 6967 B15R0.136 CCOC(=O)CCN(C)CCCCCC=O 2230a_100000745921_100000139337 [0,2,0,0,0,0|2,0,0]=4 6968 B15R0.136 CCOC(=O)CCN(C)CCCCCC=O 269982a_100000745921_100000139337 [0,2,0,0,0,0|2,0,0]=4 6969 B15R0.323 C=CCCCCCC(=O)CCC(=O)N(C)C 1458a_100011200748_100000700193 [0,2,0,0,0,0|1,0,1]=4 6970 B15R0.959 COC(=O)CCC(=O)CCCCCC(=O)N 1458a_100000187943_100009817443 [0,2,0,0,0,0|1,0,1]=4 6971 B15R0.959 COC(=O)CCN(C)CCCCCC(=O)N 269982a_100025711912_100009817443 [0,2,0,0,0,0|2,0,0]=4 6972 B15R0.2243 C=CCCCCCN(CC)CCC(=O)OC 2230a_100000229097_100000700193 [0,2,0,0,0,0|1,0,0]=3 6973 B15R0.2243 C=CCCCCCN(CC)CCC(=O)OC 269982a_100000229097_100000700193 [0,2,0,0,0,0|1,0,0]=3 6974 B15R0.2243 CCN(CCCCCC=O)CCC(=O)OC 2230a_100000229097_100000139337 [0,2,0,0,0,0|2,0,0]=4 6975 B15R0.2243 CCN(CCCCCC=O)CCC(=O)OC 269982a_100000229097_100000139337 [0,2,0,0,0,0|2,0,0]=4 6976 B15R0.2405 C#CCCCCCCC(=O)CCC(=O)OC 1458a_100000187943_100012276617 [0,2,0,0,0,0|0,0,2]=4 6977 B15R0.2405 C#CCCCCCCN(C)CCC(=O)OC 269982a_100025711912_100012276617 [0,2,0,0,0,0|0,0,2]=4 6978 B15R0.2405 C=CCCCCCCC(=O)CCC(=O)NC 1458a_100011309844_100011215473 [0,2,0,0,0,0|1,0,0]=3 6979 B15R0.2405 C=CCCCCCCC(=O)CCC(=O)OC 1458a_100000187943_100011215473 [0,2,0,0,0,0|0,0,0]=2 6980 B15R0.2405 C=CCCCCCCC(=O)CCS(=O)CC 1458a_100011387550_100011215473 [0,2,0,0,0,0|2,0,0]=4 6981 B15R0.2405 C=CCCCCCCC(=O)CNC(=O)CC 1458a_100000194589_100011215473 [0,2,0,0,0,0|1,0,1]=4 6982 B15R0.2405 C=CCCCCCCC(=O)CNC(=O)OC 1458a_100000215747_100011215473 [0,2,0,0,0,0|0,0,1]=3 6983 B15R0.2405 C=CCCCCCCC(=O)NCC(=O)NC 11a_100000693194_100011809334 [0,2,0,0,0,0|1,0,1]=4 6984 B15R0.2405 C=CCCCCCCC(=O)NCC(=O)NC 240690a_100000693194_100011809334 [0,2,0,0,0,0|1,0,1]=4 6985 B15R0.2405 C=CCCCCCCC(=O)NCC(=O)NC 527a_100000693194_100011809334 [0,2,0,0,0,0|1,0,1]=4 6986 B15R0.2405 C=CCCCCCCC(=O)NCC(=O)OC 188690a_100000185156_100011809334 [0,2,0,0,0,0|0,0,1]=3 6987 B15R0.2405 C=CCCCCCCN(C)CCC(=O)NC 2230a_100000750875_100011215473 [0,2,0,0,0,0|1,0,0]=3 6988 B15R0.2405 C=CCCCCCCN(C)CCC(=O)NC 269982a_100000750875_100011215473 [0,2,0,0,0,0|1,0,0]=3 6989 B15R0.2405 C=CCCCCCCN(C)CCC(=O)OC 269982a_100025711912_100011215473 [0,2,0,0,0,0|0,0,0]=2 6990 B15R0.2405 C=CCCCCNCC(=O)CCC(=O)OC 2230a_100000703577_100000691467 [0,2,0,0,0,0|0,0,1]=3 6991 B15R0.2405 C=CCCCCNCC(=O)CCC(=O)OC 34a_100000703577_100000691467 [0,2,0,0,0,0|0,0,1]=3 6992 B15R0.2405 C=CCCCCNCC(=O)NCC(=O)OC 2230a_100000703577_100000182966 [0,2,0,0,0,0|1,0,1]=4 6993 B15R0.2405 C=CCCCCNCC(=O)NCC(=O)OC 34a_100000703577_100000182966 [0,2,0,0,0,0|1,0,1]=4 6994 B15R0.2405 C=CCCCCOCC(=O)CCC(=O)OC 34a_100000766645_100000691467 [0,2,0,0,0,0|0,0,1]=3 6995 B15R0.2405 C=CCCCCOCC(=O)CCC(=O)OC 7a_100000766645_100000691467 [0,2,0,0,0,0|0,0,1]=3 6996 B15R0.2405 C=CCCCCOCC(=O)NCC(=O)OC 34a_100000766645_100000182966 [0,2,0,0,0,0|1,0,1]=4 6997 B15R0.2405 C=CCCCCOCC(=O)NCC(=O)OC 7a_100000766645_100000182966 [0,2,0,0,0,0|1,0,1]=4 6998 B15R0.2405 C=CCCCCSCC(=O)CCC(=O)OC 62a_100000691467_100011215482 [0,2,0,0,0,0|0,0,1]=3 6999 B15R0.2405 C=CCCCCSCC(=O)CCC(=O)OC 62a_100011215482_100000691467 [0,2,0,0,0,0|0,0,1]=3 7000 B15R0.2405 C=CCCCCSCC(=O)NCC(=O)OC 62a_100000182966_100011215482 [0,2,0,0,0,0|1,0,1]=4 7001 B15R0.2405 C=CCCCCSCC(=O)NCC(=O)OC 62a_100011215482_100000182966 [0,2,0,0,0,0|1,0,1]=4 7002 B15R0.2405 C=CCOCCOCC(=O)CCC(=O)OC 34a_100000037705_100000691467 [0,2,0,0,0,0|1,0,1]=4 7003 B15R0.2405 C=CCOCCOCC(=O)CCC(=O)OC 7a_100000037705_100000691467 [0,2,0,0,0,0|1,0,1]=4 7004 B15R0.2405 C=COCCCNCC(=O)CCC(=O)OC 2230a_100000210767_100000691467 [0,2,0,0,0,0|1,0,1]=4 7005 B15R0.2405 C=COCCCNCC(=O)CCC(=O)OC 34a_100000210767_100000691467 [0,2,0,0,0,0|1,0,1]=4 7006 B15R0.2405 CC=CCCCOCC(=O)CCC(=O)OC 34a_100020645299_100000691467 [0,2,0,0,0,0|1,0,1]=4 7007 B15R0.2405 CCCCCCCCC(=O)CCC(=O)OC 1458a_100000187943_100000210759 [0,2,0,0,0,0|0,0,2]=4 7008 B15R0.2405 CCCCCCCCC(C)OCC(=O)OC 34a_100000210740_100000747449 [0,2,0,0,0,0|0,0,2]=4 7009 B15R0.2405 CCCCCCCCC(C)OCC(=O)OC 7a_100000210740_100000747449 [0,2,0,0,0,0|0,0,2]=4 7010 B15R0.2405 CCCCCCCCN(C)CCC(=O)OC 2230a_100000207567_100000204255 [0,2,0,0,0,0|0,0,2]=4 7011 B15R0.2405 CCCCCCCCN(C)CCC(=O)OC 269982a_100000207567_100000204255 [0,2,0,0,0,0|0,0,2]=4 7012 B15R0.2405 CCCCCCCCN(C)CCC(=O)OC 269982a_100025711912_100000210759 [0,2,0,0,0,0|0,0,2]=4 7013 B15R0.2405 COC(=O)CCC(=O)CCCCCCC#N 1458a_100000187943_100009813337 [0,2,0,0,0,0|1,0,1]=4 7014 B15R0.2405 COC(=O)CCC(=O)CCCCCCCO 1458a_100000187943_100000760002 [0,2,0,0,0,0|1,0,1]=4 7015 B15R0.2405 COC(=O)CCC(=O)CSCCCCC=O 62a_100000139335_100000691467 [0,2,0,0,0,0|1,0,1]=4 7016 B15R0.2405 COC(=O)CCC(=O)CSCCCCC=O 62a_100000691467_100000139335 [0,2,0,0,0,0|1,0,1]=4 7017 B15R0.2405 COC(=O)CCN(C)CCCCCCC#N 269982a_100025711912_100009813337 [0,2,0,0,0,0|1,0,1]=4 7018 B15R0.2405 COC(=O)CCN(C)CCCCCCCO 269982a_100025711912_100000760002 [0,2,0,0,0,0|1,0,1]=4 7019 B15R0.2405 COCCCCCCC(=O)CCC(=O)OC 1458a_100000187943_100011998445 [0,2,0,0,0,0|1,0,1]=4 7020 B15R0.2405 COCCCCCCN(C)CCC(=O)OC 269982a_100025711912_100011998445 [0,2,0,0,0,0|1,0,1]=4 7021 B15R0.4278 C=CCCCCNS(=O)(=O)CCC(=O)OC 270084a_100000703577_100000205946 [0,2,0,0,0,0|2,0,0]=4 7022 B15R0.4278 C=CCCCCNS(=O)(=O)CCC(=O)OC 274078a_100000703577_100000205946 [0,2,0,0,0,0|2,0,0]=4 7023 B15R0.4384 C=CCCCCCC(=O)N[C@H](C)C(=O)OC 188690a_100000687819_100011934241 [0,2,0,0,0,0|1,0,1]=4 7024 B15R0.4916 C=CCCC(C)OCC(=O)CCC(=O)OC 34a_100000765329_100000691467 [0,2,0,0,0,0|1,0,1]=4 7025 B15R0.4916 C=CCCC(C)OCC(=O)CCC(=O)OC 7a_100000765329_100000691467 [0,2,0,0,0,0|1,0,1]=4 7026 B15R0.5203 C=CCCCC(=O)CC(=O)CCC(=O)OC 1458a_100000766728_100000691467 [0,2,0,0,0,0|0,0,2]=4 7027 B15R0.1 C=CCCC(=O)CCCCCC(=O)OCC 1458a_100000037472_100000754431 [0,2,0,0,0,0|0,0,1]=3 7028 B15R0.1 C=CCCC(=O)CCCCCC(=O)OCC 1458a_100000749702_100000755133 [0,2,0,0,0,0|0,0,1]=3 7029 B15R0.1 C=CCCC(=O)CCCOCC(=O)OCC 1458a_100000749702_100009893628 [0,2,0,0,0,0|1,0,1]=4 7030 B15R0.1 C=CCCC(=O)NCCCCC(=O)OCC 188690a_100000718961_100000749702 [0,2,0,0,0,0|1,0,1]=4 7031 B15R0.1 C=CCCC(C)OCCCCC(=O)OCC 34a_100000765329_100000750268 [0,2,0,0,0,0|1,0,0]=3 7032 B15R0.1 C=CCCC(C)OCCCCC(=O)OCC 7a_100000765329_100000750268 [0,2,0,0,0,0|1,0,0]=3 7033 B15R0.1 C=CCCC(C)OCCOCC(=O)OCC 34a_100000765329_100000088970 [0,2,0,0,0,0|2,0,0]=4 7034 B15R0.1 C=CCCC(C)OCCOCC(=O)OCC 7a_100000765329_100000088970 [0,2,0,0,0,0|2,0,0]=4 7035 B15R0.1 C=CCCN(C)CCCCCC(=O)OCC 2230a_100020639649_100000755133 [0,2,0,0,0,0|1,0,0]=3 7036 B15R0.1 C=CCCN(C)CCCCCC(=O)OCC 269982a_100020639649_100000755133 [0,2,0,0,0,0|1,0,0]=3 7037 B15R0.1 C=CCCN(C)CCCOCC(=O)OCC 2230a_100020639649_100009893628 [0,2,0,0,0,0|2,0,0]=4 7038 B15R0.1 C=CCCN(C)CCCOCC(=O)OCC 269982a_100020639649_100009893628 [0,2,0,0,0,0|2,0,0]=4 7039 B15R0.1 C=CCNC(=O)CCCCCC(=O)OCC 1626a_100020586998_100000037472 [0,2,0,0,0,0|1,0,1]=4 7040 B15R0.1 C=CCNC(=O)CCCCCC(=O)OCC 240690a_100020586998_100000037472 [0,2,0,0,0,0|1,0,1]=4 7041 B15R0.1 C=CCNC(=O)CCCCCC(=O)OCC 527a_100020586998_100000037472 [0,2,0,0,0,0|1,0,1]=4 7042 B15R0.49 C=CCCN(C)C(=O)CCCCC(=O)OC 11a_100020639649_100000695723 [0,2,0,0,0,0|1,0,1]=4 7043 B15R0.49 C=CCCN(C)C(=O)CCCCC(=O)OC 1626a_100020639649_100000695723 [0,2,0,0,0,0|1,0,1]=4 7044 B15R0.49 C=CCCN(C)C(=O)CCCCC(=O)OC 240690a_100020639649_100000695723 [0,2,0,0,0,0|1,0,1]=4 7045 B15R0.49 C=CCCN(C)C(=O)CCCCC(=O)OC 527a_100020639649_100000695723 [0,2,0,0,0,0|1,0,1]=4 7046 B15R0.49 C=CCSC(C)C(=O)CCCCC(=O)OC 1458a_100000230602_100000204269 [0,2,0,0,0,0|1,0,1]=4 7047 B15R0.214 C=CCCC(C)OCCCCC(=O)N(C)C 34a_100000765329_100000752486 [0,2,0,0,0,0|2,0,0]=4 7048 B15R0.214 C=CCCC(C)OCCCCC(=O)N(C)C 7a_100000765329_100000752486 [0,2,0,0,0,0|2,0,0]=4 7049 B15R0.233 C#CCCCC(=O)CCCCCC(=O)OC 1458a_100000690238_100009816466 [0,2,0,0,0,0|0,0,2]=4 7050 B15R0.233 C#CCCCC(=O)CCCCCC(=O)OC 1458a_100009848860_100000731252 [0,2,0,0,0,0|0,0,2]=4 7051 B15R0.233 C=CCCCC(=O)CCCCCC(=O)OC 1458a_100000766728_100009816466 [0,2,0,0,0,0|0,0,0]=2 7052 B15R0.233 C=CCCCC(=O)CCCCCC(=O)OC 1458a_100009848860_100000757094 [0,2,0,0,0,0|0,0,0]=2 7053 B15R0.233 C=CCCCC(=O)NCCCCC(=O)OC 188690a_100000746077_100000766728 [0,2,0,0,0,0|0,0,1]=3 7054 B15R0.233 C=CCCNC(=O)CCCCCC(=O)OC 11a_100015191253_100009848860 [0,2,0,0,0,0|0,0,1]=3 7055 B15R0.233 C=CCCNC(=O)CCCCCC(=O)OC 1626a_100015191253_100009848860 [0,2,0,0,0,0|0,0,1]=3 7056 B15R0.233 C=CCCNC(=O)CCCCCC(=O)OC 240690a_100015191253_100009848860 [0,2,0,0,0,0|0,0,1]=3 7057 B15R0.233 C=CCNNC(=O)CCCCCC(=O)OC 22a_100020588587_100009848860 [0,2,0,0,0,0|1,0,1]=4 7058 B15R0.233 C=CCSCC(=O)CCCCCC(=O)OC 1458a_100000230395_100009816466 [0,2,0,0,0,0|0,0,1]=3 7059 B15R0.233 C=CCSCC(=O)NCCCCC(=O)OC 188690a_100000746077_100000230395 [0,2,0,0,0,0|1,0,1]=4 7060 B15R0.233 C=COCCC(=O)CCCCCC(=O)OC 1458a_100009848860_100000039644 [0,2,0,0,0,0|0,0,1]=3 7061 B15R0.233 CCCCCC(=O)CCCCCC(=O)OC 1458a_100000212188_100009816466 [0,2,0,0,0,0|0,0,2]=4 7062 B15R0.233 CCCCCC(=O)CCCCCC(=O)OC 1458a_100009848860_100000210326 [0,2,0,0,0,0|0,0,2]=4 7063 B15R0.233 CCCCCC(C)NCCCCC(=O)OC 2230a_100000211957_100000204269 [0,2,0,0,0,0|0,0,2]=4 7064 B15R0.233 CCCCCC(C)OCCCCC(=O)OC 34a_100000059025_200011218191 [0,2,0,0,0,0|0,0,2]=4 7065 B15R0.233 CCCCCC(C)OCCCCC(=O)OC 34a_100011215632_100000204269 [0,2,0,0,0,0|0,0,2]=4 7066 B15R0.233 CCCCCC(C)OCCCCC(=O)OC 7a_100000059025_200011218191 [0,2,0,0,0,0|0,0,2]=4 7067 B15R0.233 CCCCCC(C)OCCCCC(=O)OC 7a_100011215632_100000204269 [0,2,0,0,0,0|0,0,2]=4 7068 B15R0.233 CCCCCC(C)SCCCCC(=O)OC 62a_100000204269_200011218191 [0,2,0,0,0,0|0,0,2]=4 7069 B15R0.233 CCCCCC(C)SCCCCC(=O)OC 62a_200011218191_100000204269 [0,2,0,0,0,0|0,0,2]=4 7070 B15R0.233 CCCCCN(C)CCCCCC(=O)OC 2230a_100000223495_100009816466 [0,2,0,0,0,0|0,0,2]=4 7071 B15R0.233 CCCCCN(C)CCCCCC(=O)OC 269982a_100000223495_100009816466 [0,2,0,0,0,0|0,0,2]=4 7072 B15R0.233 COC(=O)CCCCCC(=O)CCCC#N 1458a_100000075515_100009816466 [0,2,0,0,0,0|1,0,1]=4 7073 B15R0.233 COC(=O)CCCCCC(=O)CCCC#N 1458a_100009848860_100000211468 [0,2,0,0,0,0|1,0,1]=4 7074 B15R0.233 COC(=O)CCCCCC(=O)CCCCF 1458a_100009848860_100000729493 [0,2,0,0,0,0|1,0,1]=4 7075 B15R0.233 COC(=O)CCCCCC(=O)CCCCO 1458a_100000695505_100009816466 [0,2,0,0,0,0|1,0,1]=4 7076 B15R0.233 COC(=O)CCCCCC(=O)CCCCO 1458a_100009848860_100000210776 [0,2,0,0,0,0|1,0,1]=4 7077 B15R0.233 COC(=O)CCCCCC(=O)CCCSC 1458a_100000173376_100009816466 [0,2,0,0,0,0|1,0,1]=4 7078 B15R0.233 COC(=O)CCCCCN(C)CCCCO 2230a_100000717598_100009816466 [0,2,0,0,0,0|1,0,1]=4 7079 B15R0.233 COC(=O)CCCCCN(C)CCCCO 269982a_100000717598_100009816466 [0,2,0,0,0,0|1,0,1]=4 7080 B15R0.233 COC(=O)CCCOC[C@@H](N)CCCCN 34a_100016993712_100000742333 [0,2,0,0,0,0|1,0,1]=4 7081 B15R0.233 COCCCC(=O)CCCCCC(=O)OC 1458a_100000741012_100009816466 [0,2,0,0,0,0|1,0,1]=4 7082 B15R0.233 COCCCC(=O)CCCCCC(=O)OC 1458a_100009848860_100000740836 [0,2,0,0,0,0|1,0,1]=4 7083 B15R0.233 COCCCC(C)OCCCCC(=O)OC 34a_200011539412_100000204269 [0,2,0,0,0,0|1,0,1]=4 7084 B15R0.233 COCCCC(C)OCCCCC(=O)OC 7a_200011539412_100000204269 [0,2,0,0,0,0|1,0,1]=4 7085 B15R0.233 COCCCN(C)CCCCCC(=O)OC 2230a_100000224831_100009816466 [0,2,0,0,0,0|1,0,1]=4 7086 B15R0.233 COCCCN(C)CCCCCC(=O)OC 269982a_100000224831_100009816466 [0,2,0,0,0,0|1,0,1]=4 7087 B15R0.2076 C=C(C)CCC(=O)CCCCCC(=O)OC 1458a_100009848860_100000730704 [0,2,0,0,0,0|0,0,1]=3 7088 B15R0.2076 C=C(C)CCC(=O)CCCCCC(=O)OC 1458a_200000688413_100009816466 [0,2,0,0,0,0|0,0,1]=3 7089 B15R0.2076 C=C(C)CCC(=O)NCCCCC(=O)OC 188690a_100000746077_200000688413 [0,2,0,0,0,0|1,0,1]=4 7090 B15R0.2076 C=C(C)CNC(=O)CCCCCC(=O)OC 11a_100000765925_100009848860 [0,2,0,0,0,0|1,0,1]=4 7091 B15R0.2076 C=C(C)CNC(=O)CCCCCC(=O)OC 1626a_100000765925_100009848860 [0,2,0,0,0,0|1,0,1]=4 7092 B15R0.2076 C=C(C)CNC(=O)CCCCCC(=O)OC 240690a_100000765925_100009848860 [0,2,0,0,0,0|1,0,1]=4 7093 B15R0.2076 COC(=O)CCCCCC(=O)CCC(=O)N 1458a_100011215257_100009816466 [0,2,0,0,0,0|1,0,1]=4 7094 B15R0.2076 COC(=O)CCCCCN(C)CCC(=O)N 2230a_100000730477_100009816466 [0,2,0,0,0,0|2,0,0]=4 7095 B15R0.321 C=CCCCCCCCC(=O)C(=O)N(C)C 1458a_100011218876_100012355270 [0,2,0,0,0,0|1,0,1]=4 7096 B15R0.321 C=CCCCCCCN[C@@H](C)C(=O)N(C)C 2230a_100000697320_100011215473 [0,2,0,0,0,0|2,0,0]=4 7097 B15R0.321 C=CCCCCCCN[C@@H](C)C(=O)N(C)C 34a_100000697320_100011215473 [0,2,0,0,0,0|2,0,0]=4 7098 B15R0.321 C=CCCCCCCOC(C)C(=O)C(C)C 7a_200011216477_100009893295 [0,2,0,0,0,0|2,0,0]=4 7099 B15R0.321 C=CCCCCCCOC(C)C(=O)N(C)C 7a_200011216477_100000209910 [0,2,0,0,0,0|2,0,0]=4 7100 B15R0.321 C=CCCCCCCSC(C)C(=O)C(C)C 62a_100009893295_100011215473 [0,2,0,0,0,0|2,0,0]=4 7101 B15R0.321 C=CCCCCCCSC(C)C(=O)C(C)C 62a_100011215473_100009893295 [0,2,0,0,0,0|2,0,0]=4 7102 B15R0.321 C=CCCCCCCSC(C)C(=O)N(C)C 62a_100000209910_100011215473 [0,2,0,0,0,0|2,0,0]=4 7103 B15R0.321 C=CCCCCCCSC(C)C(=O)N(C)C 62a_100011215473_100000209910 [0,2,0,0,0,0|2,0,0]=4 7104 B15R0.324 C#CC(C)C(=O)CCCCCCCCC=C 1458a_100000211349_200000035995 [0,2,0,0,0,0|1,0,0]=3 7105 B15R0.324 C#CCCCCCCCOC(C)C(=O)OC 34a_100000054614_100000211248 [0,2,0,0,0,0|0,0,2]=4 7106 B15R0.324 C#CCCCCCCCOC(C)C(=O)OC 34a_100011215400_100153394163 [0,2,0,0,0,0|0,0,2]=4 7107 B15R0.324 C#CCCCCCCCOC(C)C(=O)OC 7a_100000054614_100000211248 [0,2,0,0,0,0|0,0,2]=4 7108 B15R0.324 C#CCCCCCCCSC(C)C(=O)OC 62a_100000211248_100153394163 [0,2,0,0,0,0|0,0,2]=4 7109 B15R0.324 C#CCCCCCCCSC(C)C(=O)OC 62a_100153394163_100000211248 [0,2,0,0,0,0|0,0,2]=4 7110 B15R0.324 C#CCCCCCCOCC(C)C(=O)OC 34a_100000749362_100012276617 [0,2,0,0,0,0|0,0,2]=4 7111 B15R0.324 C#CCCCCCCOCC(C)C(=O)OC 34a_100011217361_100000698445 [0,2,0,0,0,0|0,0,2]=4 7112 B15R0.324 C#CCCCCCCOCC(C)C(=O)OC 7a_100000749362_100012276617 [0,2,0,0,0,0|0,0,2]=4 7113 B15R0.324 C#CCCCCCCOCC(F)C(=O)OC 34a_200009849844_100012276617 [0,2,0,0,0,0|0,0,2]=4 7114 B15R0.324 C#CCCCCCCOC[C@@H](N)C(=O)OC 34a_100000003586_100012276617 [0,2,0,0,0,0|0,0,2]=4 7115 B15R0.324 C#CCCCCCCSCC(C)C(=O)OC 62a_100000698445_100012276617 [0,2,0,0,0,0|0,0,2]=4 7116 B15R0.324 C#CCCCCCCSCC(C)C(=O)OC 62a_100012276617_100000698445 [0,2,0,0,0,0|0,0,2]=4 7117 B15R0.324 C#CCCCCCOCCC(C)C(=O)OC 34a_100000766912_100000034942 [0,2,0,0,0,0|0,0,2]=4 7118 B15R0.324 C#CCCCCCOCCC(C)C(=O)OC 7a_100000766912_100000034942 [0,2,0,0,0,0|0,0,2]=4 7119 B15R0.324 C#CCCCCCSCCC(C)C(=O)OC 62a_100000034942_100012094781 [0,2,0,0,0,0|0,0,2]=4 7120 B15R0.324 C#CCCCCCSCCC(C)C(=O)OC 62a_100012094781_100000034942 [0,2,0,0,0,0|0,0,2]=4 7121 B15R0.324 C=CCCC/C=C/COCC(C)C(=O)OC 34a_200016268473_100000698445 [0,2,0,0,0,0|0,0,2]=4 7122 B15R0.324 C=CCCCCCCCCC(=O)/C(=C/C)/C 1458a_100020587367_100011933949 [0,2,0,0,0,0|1,0,0]=3 7123 B15R0.324 C=CCCCCCCCCC(=O)C(=O)NC 1458a_100011218921_100011933949 [0,2,0,0,0,0|1,0,0]=3 7124 B15R0.324 C=CCCCCCCCCC(=O)C(C)C#N 1458a_100000211349_100000703298 [0,2,0,0,0,0|1,0,0]=3 7125 B15R0.324 C=CCCCCCCCCC(=O)C(C)C#N 1458a_100000753662_100011933949 [0,2,0,0,0,0|1,0,0]=3 7126 B15R0.324 C=CCCCCCCCCC(=O)C(C)C=C 1458a_100011216780_100011933949 [0,2,0,0,0,0|1,0,0]=3 7127 B15R0.324 C=CCCCCCCCCC(=O)C(C)CC 1458a_100000211349_100000758301 [0,2,0,0,0,0|1,0,0]=3 7128 B15R0.324 C=CCCCCCCCCC(=O)C(C)CC 1458a_100011192722_100011933949 [0,2,0,0,0,0|1,0,0]=3 7129 B15R0.324 C=CCCCCCCCCC(=O)C(C)OC 1458a_100000743197_100011933949 [0,2,0,0,0,0|0,0,0]=2 7130 B15R0.324 C=CCCCCCCCCC(=O)C(C)SC 1458a_100000149566_100011933949 [0,2,0,0,0,0|0,1,0]=3 7131 B15R0.324 C=CCCCCCCCCC(=O)C(O)CC 1458a_100011196387_100011933949 [0,2,0,0,0,0|1,0,0]=3 7132 B15R0.324 C=CCCCCCCCCC(=O)C(O)CO 1458a_100011215603_100011933949 [0,2,0,0,0,0|1,0,0]=3 7133 B15R0.324 C=CCCCCCCCCC(=O)N(C)CC 11a_100000225621_100000211349 [0,2,0,0,0,0|1,0,0]=3 7134 B15R0.324 C=CCCCCCCCCC(=O)N(C)CC 1626a_100000225621_100000211349 [0,2,0,0,0,0|1,0,0]=3 7135 B15R0.324 C=CCCCCCCCCC(=O)N(C)CC 240690a_100000225621_100000211349 [0,2,0,0,0,0|1,0,0]=3 7136 B15R0.324 C=CCCCCCCCCC(=O)N(C)CC 527a_100000225621_100000211349 [0,2,0,0,0,0|1,0,0]=3 7137 B15R0.324 C=CCCCCCCCN[C@H](C)C(=O)NC 2230a_100000684985_100012355270 [0,2,0,0,0,0|1,0,0]=3 7138 B15R0.324 C=CCCCCCCCN[C@H](C)C(=O)NC 34a_100000684985_100012355270 [0,2,0,0,0,0|1,0,0]=3 7139 B15R0.324 C=CCCCCCCCOC(C)C(=O)CC 7a_100000730831_100000742827 [0,2,0,0,0,0|1,0,0]=3 7140 B15R0.324 C=CCCCCCCCOC(C)C(=O)NC 34a_100000730831_100000731044 [0,2,0,0,0,0|1,0,0]=3 7141 B15R0.324 C=CCCCCCCCOC(C)C(=O)NC 7a_100000730831_100000209862 [0,2,0,0,0,0|1,0,0]=3 7142 B15R0.324 C=CCCCCCCCOC(C)C(=O)NN 34a_100000725659_100012355270 [0,2,0,0,0,0|2,0,0]=4 7143 B15R0.324 C=CCCCCCCCOC(C)C(=O)OC 34a_100000730831_100000211248 [0,2,0,0,0,0|0,0,0]=2 7144 B15R0.324 C=CCCCCCCCOC(C)C(=O)OC 34a_100011215400_100012355270 [0,2,0,0,0,0|0,0,0]=2 7145 B15R0.324 C=CCCCCCCCOC(C)C(=O)OC 7a_100000730831_100000211248 [0,2,0,0,0,0|0,0,0]=2 7146 B15R0.324 C=CCCCCCCCOC(F)C(=O)NC 34a_100000730831_100009813575 [0,2,0,0,0,0|1,0,0]=3 7147 B15R0.324 C=CCCCCCCCOC(F)C(=O)NC 7a_100000730831_100009813575 [0,2,0,0,0,0|1,0,0]=3 7148 B15R0.324 C=CCCCCCCCSC(C)C(=O)CC 62a_100000742827_100012355270 [0,2,0,0,0,0|1,0,0]=3 7149 B15R0.324 C=CCCCCCCCSC(C)C(=O)CC 62a_100012355270_100000742827 [0,2,0,0,0,0|1,0,0]=3 7150 B15R0.324 C=CCCCCCCCSC(C)C(=O)NC 62a_100000209862_100012355270 [0,2,0,0,0,0|1,0,0]=3 7151 B15R0.324 C=CCCCCCCCSC(C)C(=O)NC 62a_100012355270_100000731044 [0,2,0,0,0,0|1,0,0]=3 7152 B15R0.324 C=CCCCCCCCSC(C)C(=O)OC 62a_100000211248_100012355270 [0,2,0,0,0,0|0,0,0]=2 7153 B15R0.324 C=CCCCCCCCSC(C)C(=O)OC 62a_100012355270_100000211248 [0,2,0,0,0,0|0,0,0]=2 7154 B15R0.324 C=CCCCCCCCSC(F)C(=O)NC 62a_100009813575_100012355270 [0,2,0,0,0,0|1,0,0]=3 7155 B15R0.324 C=CCCCCCCCSC(F)C(=O)NC 62a_100012355270_100009813575 [0,2,0,0,0,0|1,0,0]=3 7156 B15R0.324 C=CCCCCCCNCC(=O)N(C)OC 2230a_100015207273_100011215473 [0,2,0,0,0,0|1,0,0]=3 7157 B15R0.324 C=CCCCCCCNCC(C)C(=O)NC 2230a_100015187722_100011215473 [0,2,0,0,0,0|1,0,0]=3 7158 B15R0.324 C=CCCCCCCNCC(C)C(=O)NC 34a_100015187722_100011215473 [0,2,0,0,0,0|1,0,0]=3 7159 B15R0.324 C=CCCCCCCOCC(=C)C(=O)OC 34a_200011216477_100009813391 [0,2,0,0,0,0|0,0,1]=3 7160 B15R0.324 C=CCCCCCCOCC(=O)C(=O)OC 34a_200011216477_100011610305 [0,2,0,0,0,0|0,0,1]=3 7161 B15R0.324 C=CCCCCCCOCC(=O)N(C)CC 34a_200011216477_100000738999 [0,2,0,0,0,0|2,0,0]=4 7162 B15R0.324 C=CCCCCCCOCC(=O)N(C)CC 7a_200011216477_100000738999 [0,2,0,0,0,0|2,0,0]=4 7163 B15R0.324 C=CCCCCCCOCC(=O)N(C)OC 7a_200011216477_100000764215 [0,2,0,0,0,0|1,0,0]=3 7164 B15R0.324 C=CCCCCCCOCC(C)C(=O)OC 34a_100000749362_100011215473 [0,2,0,0,0,0|0,0,0]=2 7165 B15R0.324 C=CCCCCCCOCC(C)C(=O)OC 34a_200011216477_100000698445 [0,2,0,0,0,0|0,0,0]=2 7166 B15R0.324 C=CCCCCCCOCC(C)C(=O)OC 7a_100000749362_100011215473 [0,2,0,0,0,0|0,0,0]=2 7167 B15R0.324 C=CCCCCCCOCC(F)C(=O)OC 34a_200009849844_100011215473 [0,2,0,0,0,0|0,0,0]=2 7168 B15R0.324 C=CCCCCCCOCC(N)C(=O)NN 34a_100016989258_100011215473 [0,2,0,0,0,0|2,0,0]=4 7169 B15R0.324 C=CCCCCCCOC[C@@H](N)C(=O)OC 34a_100000003586_100011215473 [0,2,0,0,0,0|0,0,0]=2 7170 B15R0.324 C=CCCCCCCSCC(=C)C(=O)OC 62a_100009813391_100011215473 [0,2,0,0,0,0|0,0,1]=3 7171 B15R0.324 C=CCCCCCCSCC(=C)C(=O)OC 62a_100011215473_100009813391 [0,2,0,0,0,0|0,0,1]=3 7172 B15R0.324 C=CCCCCCCSCC(=O)C(=O)OC 62a_100011215473_100011610305 [0,2,0,0,0,0|0,0,1]=3 7173 B15R0.324 C=CCCCCCCSCC(=O)C(=O)OC 62a_100011610305_100011215473 [0,2,0,0,0,0|0,0,1]=3 7174 B15R0.324 C=CCCCCCCSCC(=O)N(C)CC 62a_100000738999_100011215473 [0,2,0,0,0,0|2,0,0]=4 7175 B15R0.324 C=CCCCCCCSCC(=O)N(C)CC 62a_100011215473_100000738999 [0,2,0,0,0,0|2,0,0]=4 7176 B15R0.324 C=CCCCCCCSCC(=O)N(C)OC 62a_100000764215_100011215473 [0,2,0,0,0,0|1,0,0]=3 7177 B15R0.324 C=CCCCCCCSCC(=O)N(C)OC 62a_100011215473_100000764215 [0,2,0,0,0,0|1,0,0]=3 7178 B15R0.324 C=CCCCCCCSCC(C)C(=O)OC 62a_100000698445_100011215473 [0,2,0,0,0,0|0,0,0]=2 7179 B15R0.324 C=CCCCCCCSCC(C)C(=O)OC 62a_100011215473_100000698445 [0,2,0,0,0,0|0,0,0]=2 7180 B15R0.324 C=CCCCCCOCCC(C)C(=O)OC 34a_100011216702_100000034942 [0,2,0,0,0,0|0,0,0]=2 7181 B15R0.324 C=CCCCCCOCCC(C)C(=O)OC 7a_100011216702_100000034942 [0,2,0,0,0,0|0,0,0]=2 7182 B15R0.324 C=CCCCCCSCCC(C)C(=O)OC 62a_100000034942_100000700193 [0,2,0,0,0,0|0,0,0]=2 7183 B15R0.324 C=CCCCCCSCCC(C)C(=O)OC 62a_100000700193_100000034942 [0,2,0,0,0,0|0,0,0]=2 7184 B15R0.324 C=CCCCCOCCCC(=O)N(C)OC 7a_100000766645_100011842776 [0,2,0,0,0,0|1,0,0]=3 7185 B15R0.324 C=CCCCCSCCCC(=O)N(C)OC 62a_100011215482_100011842776 [0,2,0,0,0,0|1,0,0]=3 7186 B15R0.324 C=CCCCCSCCCC(=O)N(C)OC 62a_100011842776_100011215482 [0,2,0,0,0,0|1,0,0]=3 7187 B15R0.324 C=CCOCCOCCCC(=O)N(C)OC 7a_100000037705_100011842776 [0,2,0,0,0,0|2,0,0]=4 7188 B15R0.324 C=CCOCCOCCOC(C)C(=O)OC 34a_100000065479_100000211248 [0,2,0,0,0,0|2,0,0]=4 7189 B15R0.324 C=CCOCCOCCOC(C)C(=O)OC 7a_100000065479_100000211248 [0,2,0,0,0,0|2,0,0]=4 7190 B15R0.324 C=COCCCCOCCC(C)C(=O)OC 34a_100000031558_100000034942 [0,2,0,0,0,0|1,0,0]=3 7191 B15R0.324 C=COCCCCOCCC(C)C(=O)OC 7a_100000031558_100000034942 [0,2,0,0,0,0|1,0,0]=3 7192 B15R0.324 C=COCCOCCOCC(C)C(=O)OC 34a_100000039918_100000698445 [0,2,0,0,0,0|2,0,0]=4 7193 B15R0.324 CCCCCCCCCCC(=O)C(C)OC 1458a_100000743197_100000210319 [0,2,0,0,0,0|0,0,2]=4 7194 B15R0.324 CCCCCCCCCNC(C)C(=O)OC 2230a_100000212291_100000211248 [0,2,0,0,0,0|0,0,2]=4 7195 B15R0.324 CCCCCCCCCNC(C)C(=O)OC 34a_100000212291_100000211248 [0,2,0,0,0,0|0,0,2]=4 7196 B15R0.324 CCCCCCCCCOC(C)C(=O)OC 34a_100000210712_100000211248 [0,2,0,0,0,0|0,0,2]=4 7197 B15R0.324 CCCCCCCCCOC(C)C(=O)OC 34a_100011215400_100011214924 [0,2,0,0,0,0|0,0,2]=4 7198 B15R0.324 CCCCCCCCCOC(C)C(=O)OC 7a_100000210712_100000211248 [0,2,0,0,0,0|0,0,2]=4 7199 B15R0.324 CCCCCCCCCSC(C)C(=O)OC 62a_100000211248_100000210670 [0,2,0,0,0,0|0,0,2]=4 7200 B15R0.324 CCCCCCCCNCC(C)C(=O)OC 34a_100000229939_100000698445 [0,2,0,0,0,0|0,0,2]=4 7201 B15R0.324 CCCCCCCCOCC(C)C(=O)OC 34a_100000210232_100000698445 [0,2,0,0,0,0|0,0,2]=4 7202 B15R0.324 CCCCCCCCOCC(C)C(=O)OC 34a_100000749362_100000210759 [0,2,0,0,0,0|0,0,2]=4 7203 B15R0.324 CCCCCCCCOCC(C)C(=O)OC 7a_100000749362_100000210759 [0,2,0,0,0,0|0,0,2]=4 7204 B15R0.324 CCCCCCCCOCC(F)C(=O)OC 34a_200009849844_100000210759 [0,2,0,0,0,0|0,0,2]=4 7205 B15R0.324 CCCCCCCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210759 [0,2,0,0,0,0|0,0,2]=4 7206 B15R0.324 CCCCCCCCSCC(C)C(=O)OC 62a_100000210759_100000698445 [0,2,0,0,0,0|0,0,2]=4 7207 B15R0.324 CCCCCCCCSCC(C)C(=O)OC 62a_100000698445_100000210317 [0,2,0,0,0,0|0,0,2]=4 7208 B15R0.324 CCCCCCCNCCC(C)C(=O)OC 2230a_100000229938_100000034942 [0,2,0,0,0,0|0,0,2]=4 7209 B15R0.324 CCCCCCCOCCC(C)C(=O)OC 34a_100000210272_100000034942 [0,2,0,0,0,0|0,0,2]=4 7210 B15R0.324 CCCCCCCOCCC(C)C(=O)OC 7a_100000210272_100000034942 [0,2,0,0,0,0|0,0,2]=4 7211 B15R0.324 CCCCCCCSCCC(C)C(=O)OC 62a_100000034942_100000210316 [0,2,0,0,0,0|0,0,2]=4 7212 B15R0.324 CCCCCCCSCCC(C)C(=O)OC 62a_100000210614_100000034942 [0,2,0,0,0,0|0,0,2]=4 7213 B15R0.324 CNCCCCCOCCC(C)C(=O)OC 34a_100000722520_100000034942 [0,2,0,0,0,0|1,0,1]=4 7214 B15R0.324 COC(=O)C(C)CCNCCCCCCO 2230a_100000686447_100000034942 [0,2,0,0,0,0|1,0,1]=4 7215 B15R0.324 COC(=O)C(C)CCNCCCCCCO 34a_100000686447_100000034942 [0,2,0,0,0,0|1,0,1]=4 7216 B15R0.324 COC(=O)C(C)CCOCCCCCCBr 34a_100011215345_100000034942 [0,2,0,0,0,0|1,0,1]=4 7217 B15R0.324 COC(=O)C(C)CCOCCCCCCBr 7a_100011215345_100000034942 [0,2,0,0,0,0|1,0,1]=4 7218 B15R0.324 COC(=O)C(C)CCOCCCCCCCl 34a_100000766143_100000034942 [0,2,0,0,0,0|1,0,1]=4 7219 B15R0.324 COC(=O)C(C)CCOCCCCCCCl 7a_100000766143_100000034942 [0,2,0,0,0,0|1,0,1]=4 7220 B15R0.324 COC(=O)C(C)CCOCCCCCCF 34a_100000732779_100000034942 [0,2,0,0,0,0|1,0,1]=4 7221 B15R0.324 COC(=O)C(C)CCOCCCCCCF 7a_100000732779_100000034942 [0,2,0,0,0,0|1,0,1]=4 7222 B15R0.324 COC(=O)C(C)CCOCCCCCCN 34a_100000686447_100000034942 [0,2,0,0,0,0|1,0,1]=4 7223 B15R0.324 COC(=O)C(C)CCSCCCCCC#N 62a_100000034942_100009813376 [0,2,0,0,0,0|1,0,1]=4 7224 B15R0.324 COC(=O)C(C)CCSCCCCCC#N 62a_100009813376_100000034942 [0,2,0,0,0,0|1,0,1]=4 7225 B15R0.324 COC(=O)C(C)CCSCCCCCC=O 62a_100000034942_100000139337 [0,2,0,0,0,0|1,0,0]=3 7226 B15R0.324 COC(=O)C(C)CCSCCCCCC=O 62a_100000139337_100000034942 [0,2,0,0,0,0|1,0,0]=3 7227 B15R0.324 COC(=O)C(C)CCSCCCCCCF 62a_100000034942_100015922095 [0,2,0,0,0,0|1,0,1]=4 7228 B15R0.324 COC(=O)C(C)CCSCCCCCCF 62a_100015922095_100000034942 [0,2,0,0,0,0|1,0,1]=4 7229 B15R0.324 COC(=O)C(C)CCSCCCCCCO 62a_100000034942_100000766143 [0,2,0,0,0,0|1,0,1]=4 7230 B15R0.324 COC(=O)C(C)CCSCCCCCCO 62a_100000766143_100000034942 [0,2,0,0,0,0|1,0,1]=4 7231 B15R0.324 COC(=O)C(C)CNCCCCCCCO 34a_100011996573_100000698445 [0,2,0,0,0,0|1,0,1]=4 7232 B15R0.324 COC(=O)C(C)COCCCCCCC#N 7a_100000749362_100009813337 [0,2,0,0,0,0|1,0,1]=4 7233 B15R0.324 COC(=O)C(C)COCCCCCCCBr 34a_100000760002_100000698445 [0,2,0,0,0,0|1,0,1]=4 7234 B15R0.324 COC(=O)C(C)COCCCCCCCN 34a_100011996573_100000698445 [0,2,0,0,0,0|1,0,1]=4 7235 B15R0.324 COC(=O)C(C)COCCCCCCCO 34a_100000749362_100000760002 [0,2,0,0,0,0|1,0,1]=4 7236 B15R0.324 COC(=O)C(C)COCCCCCCCO 7a_100000749362_100000760002 [0,2,0,0,0,0|1,0,1]=4 7237 B15R0.324 COC(=O)C(C)CSCCCCCCC#N 62a_100000698445_100009813337 [0,2,0,0,0,0|1,0,1]=4 7238 B15R0.324 COC(=O)C(C)CSCCCCCCC#N 62a_100009813337_100000698445 [0,2,0,0,0,0|1,0,1]=4 7239 B15R0.324 COC(=O)C(C)CSCCCCCCCO 62a_100000698445_100000760002 [0,2,0,0,0,0|1,0,1]=4 7240 B15R0.324 COC(=O)C(C)CSCCCCCCCO 62a_100000760002_100000698445 [0,2,0,0,0,0|1,0,1]=4 7241 B15R0.324 COC(=O)C(C)NCCCCCCCCO 2230a_102515433106_100000211248 [0,2,0,0,0,0|1,0,1]=4 7242 B15R0.324 COC(=O)C(C)NCCCCCCCCO 34a_102515433106_100000211248 [0,2,0,0,0,0|1,0,1]=4 7243 B15R0.324 COC(=O)C(C)OCCCCCCCCBr 34a_100009813846_100000211248 [0,2,0,0,0,0|1,0,1]=4 7244 B15R0.324 COC(=O)C(C)OCCCCCCCCBr 7a_100009813846_100000211248 [0,2,0,0,0,0|1,0,1]=4 7245 B15R0.324 COC(=O)C(C)OCCCCCCCCCl 34a_100000033203_100000211248 [0,2,0,0,0,0|1,0,1]=4 7246 B15R0.324 COC(=O)C(C)OCCCCCCCCCl 7a_100000033203_100000211248 [0,2,0,0,0,0|1,0,1]=4 7247 B15R0.324 COC(=O)C(C)OCCCCCCCCN 34a_102515433106_100000211248 [0,2,0,0,0,0|1,0,1]=4 7248 B15R0.324 COC(=O)C(C)OCCCCCCCCO 34a_100011215400_100000033203 [0,2,0,0,0,0|1,0,1]=4 7249 B15R0.324 COC(=O)C(C)SCCCCCCCCO 62a_100000033203_100000211248 [0,2,0,0,0,0|1,0,1]=4 7250 B15R0.324 COC(=O)C(C)SCCCCCCCCO 62a_100000211248_100000033203 [0,2,0,0,0,0|1,0,1]=4 7251 B15R0.324 COC(=O)C(F)COCCCCCCCO 34a_200009849844_100000760002 [0,2,0,0,0,0|1,0,1]=4 7252 B15R0.324 COC(=O)[C@H](N)COCCCCCCCO 34a_100000003586_100000760002 [0,2,0,0,0,0|1,0,1]=4 7253 B15R0.324 COC(C)C(=O)CCCCCCCCCO 1458a_100000743197_100009813782 [0,2,0,0,0,0|1,0,1]=4 7254 B15R0.324 COCCCCCCOCC(C)C(=O)OC 34a_100000749362_100011998445 [0,2,0,0,0,0|1,0,1]=4 7255 B15R0.324 COCCCCCCOCC(C)C(=O)OC 34a_200012092642_100000698445 [0,2,0,0,0,0|1,0,1]=4 7256 B15R0.324 COCCCCCCOCC(C)C(=O)OC 7a_100000749362_100011998445 [0,2,0,0,0,0|1,0,1]=4 7257 B15R0.324 COCCCCCCOCC(F)C(=O)OC 34a_200009849844_100011998445 [0,2,0,0,0,0|1,0,1]=4 7258 B15R0.324 COCCCCCCOC[C@@H](N)C(=O)OC 34a_100000003586_100011998445 [0,2,0,0,0,0|1,0,1]=4 7259 B15R0.324 COCCCCCCSCC(C)C(=O)OC 62a_100000698445_100011998445 [0,2,0,0,0,0|1,0,1]=4 7260 B15R0.324 COCCCCCCSCC(C)C(=O)OC 62a_100011998445_100000698445 [0,2,0,0,0,0|1,0,1]=4 7261 B15R0.324 COCCCCCNCCC(C)C(=O)OC 2230a_100000747528_100000034942 [0,2,0,0,0,0|1,0,1]=4 7262 B15R0.324 COCCCCCNCCC(C)C(=O)OC 34a_100000747528_100000034942 [0,2,0,0,0,0|1,0,1]=4 7263 B15R0.324 CON(C)C(=O)CCCSCCCCC=O 62a_100000139335_100011842776 [0,2,0,0,0,0|2,0,0]=4 7264 B15R0.324 CON(C)C(=O)CCCSCCCCC=O 62a_100011842776_100000139335 [0,2,0,0,0,0|2,0,0]=4 7265 B15R0.1698 COC(=O)C(C)CCNCCCCC(=O)N 34a_100000696515_100000034942 [0,2,0,0,0,0|2,0,0]=4 7266 B15R0.1698 COC(=O)C(C)CCOCCCCC(=O)N 34a_100012022536_100000034942 [0,2,0,0,0,0|2,0,0]=4 7267 B15R0.1698 COC(=O)C(C)CCOCCCCC(=O)N 7a_100012022536_100000034942 [0,2,0,0,0,0|2,0,0]=4 7268 B15R0.1698 COC(=O)C(C)CCSCCCCC(=O)C 62a_100000034942_100000735457 [0,2,0,0,0,0|1,0,1]=4 7269 B15R0.1698 COC(=O)C(C)CCSCCCCC(=O)C 62a_100000735457_100000034942 [0,2,0,0,0,0|1,0,1]=4 7270 B15R0.1698 COC(=O)C(C)COCCCCCC(=O)N 34a_100000123541_100000698445 [0,2,0,0,0,0|2,0,0]=4 7271 B15R0.1698 COC(=O)C(C)COCCCCCC(=O)N 34a_100000749362_100009817443 [0,2,0,0,0,0|2,0,0]=4 7272 B15R0.1698 COC(=O)C(C)COCCCCCC(=O)N 7a_100000749362_100009817443 [0,2,0,0,0,0|2,0,0]=4 7273 B15R0.1698 COC(=O)C(C)CSCCCCCC(=O)N 62a_100000698445_100009817443 [0,2,0,0,0,0|2,0,0]=4 7274 B15R0.1698 COC(=O)C(C)CSCCCCCC(=O)N 62a_100009817443_100000698445 [0,2,0,0,0,0|2,0,0]=4 7275 B15R0.1698 COC(=O)C(F)COCCCCCC(=O)N 34a_200009849844_100009817443 [0,2,0,0,0,0|2,0,0]=4 7276 B15R0.1698 COC(=O)[C@H](N)COCCCCCC(=O)N 34a_100000003586_100009817443 [0,2,0,0,0,0|2,0,0]=4 7277 B15R0.1996 C=CCCCCCCN[C@@H](CC)C(=O)NC 2230a_106657271573_100011215473 [0,2,0,0,0,0|2,0,0]=4 7278 B15R0.1996 C=CCCCCCCN[C@@H](CC)C(=O)NC 34a_106657271573_100011215473 [0,2,0,0,0,0|2,0,0]=4 7279 B15R0.1996 C=CCCCCCCOC(C=O)C(=O)OC 34a_200011216477_100000046368 [0,2,0,0,0,0|1,0,0]=3 7280 B15R0.1996 C=CCCCCCCOC(CC)C(=O)CC 34a_200011218131_100011215473 [0,2,0,0,0,0|2,0,0]=4 7281 B15R0.1996 C=CCCCCCCOC(CC)C(=O)CC 7a_200011218131_100011215473 [0,2,0,0,0,0|2,0,0]=4 7282 B15R0.1996 C=CCCCCCCOC(CC)C(=O)OC 34a_100000695916_100011215473 [0,2,0,0,0,0|1,0,0]=3 7283 B15R0.1996 C=CCCCCCCOC(CC)C(=O)OC 34a_200011216477_100000235869 [0,2,0,0,0,0|1,0,0]=3 7284 B15R0.1996 C=CCCCCCCOC(CC)C(=O)OC 7a_100000695916_100011215473 [0,2,0,0,0,0|1,0,0]=3 7285 B15R0.1996 C=CCCCCCCOC(CC)C(=O)OC 7a_200011216477_100000742303 [0,2,0,0,0,0|1,0,0]=3 7286 B15R0.1996 C=CCCCCCCOC(CN)C(=O)OC 34a_100000695228_100011215473 [0,2,0,0,0,0|1,0,0]=3 7287 B15R0.1996 C=CCCCCCCOC(CO)C(=O)OC 34a_200011216477_100012276630 [0,2,0,0,0,0|1,0,0]=3 7288 B15R0.1996 C=CCCCCCCOC(OC)C(=O)OC 34a_100000036821_100011215473 [0,2,0,0,0,0|1,0,0]=3 7289 B15R0.1996 C=CCCCCCCOC(OC)C(=O)OC 34a_200011216477_100000101307 [0,2,0,0,0,0|1,0,0]=3 7290 B15R0.1996 C=CCCCCCCSC(C=O)C(=O)OC 62a_100000046368_100011215473 [0,2,0,0,0,0|1,0,0]=3 7291 B15R0.1996 C=CCCCCCCSC(C=O)C(=O)OC 62a_100011215473_100000046368 [0,2,0,0,0,0|1,0,0]=3 7292 B15R0.1996 C=CCCCCCCSC(CC)C(=O)OC 62a_100000235869_100011215473 [0,2,0,0,0,0|1,0,0]=3 7293 B15R0.1996 C=CCCCCCCSC(CC)C(=O)OC 62a_100011215473_100000235869 [0,2,0,0,0,0|1,0,0]=3 7294 B15R0.1996 C=CCCCCCCSC(CO)C(=O)OC 62a_100011215473_100012276630 [0,2,0,0,0,0|1,0,0]=3 7295 B15R0.1996 C=CCCCCCCSC(CO)C(=O)OC 62a_100012276630_100011215473 [0,2,0,0,0,0|1,0,0]=3 7296 B15R0.1996 C=CCCCCCCSC(OC)C(=O)OC 62a_100000101307_100011215473 [0,2,0,0,0,0|1,0,0]=3 7297 B15R0.1996 C=CCCCCCCSC(OC)C(=O)OC 62a_100011215473_100000101307 [0,2,0,0,0,0|1,0,0]=3 7298 B15R0.2208 C=CCCCC(=O)CCCN(C)C(=O)OC 1458a_100000752137_100000757094 [0,2,0,0,0,0|1,0,1]=4 7299 B15R0.3222 C=CCCCCCCCC(=O)/C(=N/OC)/C 1458a_100160996864_100012355270 [0,2,0,0,0,0|1,0,1]=4 7300 B15R0.3222 C=CCCCCCCCC(=O)C(=O)NCC 1458a_200011297158_100012355270 [0,2,0,0,0,0|1,0,1]=4 7301 B15R0.3222 C=CCCCCCCNC(C)C(=O)NCC 2230a_100000736553_100011215473 [0,2,0,0,0,0|2,0,0]=4 7302 B15R0.3222 C=CCCCCCCNC(C)C(=O)NCC 34a_100000736553_100011215473 [0,2,0,0,0,0|2,0,0]=4 7303 B15R0.3222 C=CCCCCCCN[C@@H](C)C(=O)SCC 2230a_100103168634_100011215473 [0,2,0,0,0,0|1,1,0]=4 7304 B15R0.3222 C=CCCCCCCOC(C)C(=O)NCC 34a_200011216477_100000230173 [0,2,0,0,0,0|2,0,0]=4 7305 B15R0.3222 C=CCCCCCCOC(C)C(=O)NCC 7a_200011216477_100000230173 [0,2,0,0,0,0|2,0,0]=4 7306 B15R0.3222 C=CCCCCCCOC(C)C(=O)OCC 34a_200011216477_100011216346 [0,2,0,0,0,0|1,0,0]=3 7307 B15R0.3222 C=CCCCCCCOC(C)C(=O)OCC 7a_200011216477_100011216346 [0,2,0,0,0,0|1,0,0]=3 7308 B15R0.3222 C=CCCCCCCOC(F)C(=O)OCC 34a_200011216477_100000760018 [0,2,0,0,0,0|1,0,0]=3 7309 B15R0.3222 C=CCCCCCCOC(F)C(=O)OCC 7a_200011216477_100000040065 [0,2,0,0,0,0|1,0,0]=3 7310 B15R0.3222 C=CCCCCCCO[C@@H](C)C(=O)OCC 7a_100000751109_100011215473 [0,2,0,0,0,0|1,0,0]=3 7311 B15R0.3222 C=CCCCCCCSC(C)C(=O)NCC 62a_100000230173_100011215473 [0,2,0,0,0,0|2,0,0]=4 7312 B15R0.3222 C=CCCCCCCSC(C)C(=O)NCC 62a_100011215473_100000230173 [0,2,0,0,0,0|2,0,0]=4 7313 B15R0.3222 C=CCCCCCCSC(C)C(=O)OCC 62a_100011215473_100011216346 [0,2,0,0,0,0|1,0,0]=3 7314 B15R0.3222 C=CCCCCCCSC(C)C(=O)OCC 62a_100011216346_100011215473 [0,2,0,0,0,0|1,0,0]=3 7315 B15R0.3222 C=CCCCCCCSC(F)C(=O)OCC 62a_100000760018_100011215473 [0,2,0,0,0,0|1,0,0]=3 7316 B15R0.3222 C=CCCCCCCSC(F)C(=O)OCC 62a_100011215473_100000760018 [0,2,0,0,0,0|1,0,0]=3 7317 B15R0.3222 C=CCCCCCOCC(=C)C(=O)OCC 34a_100011216702_100000755967 [0,2,0,0,0,0|1,0,1]=4 7318 B15R0.3222 C=CCCCCCOCC(=C)C(=O)OCC 7a_100011216702_100000755967 [0,2,0,0,0,0|1,0,1]=4 7319 B15R0.3222 C=CCCCCCSCC(=C)C(=O)OCC 62a_100000700193_100000755967 [0,2,0,0,0,0|1,0,1]=4 7320 B15R0.3222 C=CCCCCCSCC(=C)C(=O)OCC 62a_100000755967_100000700193 [0,2,0,0,0,0|1,0,1]=4 7321 B15R0.3222 C=CCCCCCSCC(=O)C(=O)OCC 62a_100000211299_100000700193 [0,2,0,0,0,0|1,0,1]=4 7322 B15R0.3222 C=CCCCCCSCC(=O)C(=O)OCC 62a_100000700193_100000211299 [0,2,0,0,0,0|1,0,1]=4 7323 B15R0.3222 C=CCNCCCCCC(=O)C(=O)OCC 2230a_100020586998_100000068741 [0,2,0,0,0,0|1,0,1]=4 7324 B15R0.3222 C=CCSCCCCCC(=O)C(=O)OCC 62a_100000210623_100000068741 [0,2,0,0,0,0|1,0,1]=4 7325 B15R0.5057 C=CCCCCCCOC(C)(C)C(=O)NC 34a_200011216477_100000732697 [0,2,0,0,0,0|2,0,0]=4 7326 B15R0.5057 C=CCCCCCCOC(C)(C)C(=O)OC 34a_100011217581_100011215473 [0,2,0,0,0,0|1,0,0]=3 7327 B15R0.5057 C=CCCCCCCOC(C)(C)C(=O)OC 7a_100011217581_100011215473 [0,2,0,0,0,0|1,0,0]=3 7328 B15R0.5057 C=CCCCCCCOC(C)(F)C(=O)OC 34a_200011216477_200009867631 [0,2,0,0,0,0|1,0,0]=3 7329 B15R0.5057 C=CCCCCCCOC(F)(F)C(=O)OC 34a_200011216477_100000211177 [0,2,0,0,0,0|1,0,0]=3 7330 B15R0.5057 C=CCCCCCCOC(F)(F)C(=O)OC 7a_200011216477_100000211177 [0,2,0,0,0,0|1,0,0]=3 7331 B15R0.5057 C=CCCCCCCSC(C)(C)C(=O)NC 62a_100000732697_100011215473 [0,2,0,0,0,0|2,0,0]=4 7332 B15R0.5057 C=CCCCCCCSC(C)(C)C(=O)NC 62a_100011215473_100000732697 [0,2,0,0,0,0|2,0,0]=4 7333 B15R0.5057 C=CCCCCCCSC(C)(C)C(=O)OC 62a_100000689032_100011215473 [0,2,0,0,0,0|1,0,0]=3 7334 B15R0.5057 C=CCCCCCCSC(C)(C)C(=O)OC 62a_100011215473_100000689032 [0,2,0,0,0,0|1,0,0]=3 7335 B15R0.5057 C=CCCCCCCSC(C)(F)C(=O)OC 62a_100011215473_200009867631 [0,2,0,0,0,0|1,0,0]=3 7336 B15R0.5057 C=CCCCCCCSC(C)(F)C(=O)OC 62a_200009867631_100011215473 [0,2,0,0,0,0|1,0,0]=3 7337 B15R0.5057 C=CCCCCCCSC(F)(F)C(=O)OC 62a_100000211177_100011215473 [0,2,0,0,0,0|1,0,0]=3 7338 B15R0.5057 C=CCCCCCCSC(F)(F)C(=O)OC 62a_100011215473_100000211177 [0,2,0,0,0,0|1,0,0]=3 7339 B15R0.5057 C=CCCCCCOCC(C)(C)C(=O)NC 34a_100011216702_100000702813 [0,2,0,0,0,0|2,0,0]=4 7340 B15R0.5057 C=CCCCCCOCC(C)(C)C(=O)OC 34a_100000709632_100000700193 [0,2,0,0,0,0|1,0,0]=3 7341 B15R0.5057 C=CCCCCCOCC(C)(C)C(=O)OC 7a_100000709632_100000700193 [0,2,0,0,0,0|1,0,0]=3 7342 B15R0.5057 C=CCCCCCOCC(F)(F)C(=O)OC 34a_100011216702_100010295740 [0,2,0,0,0,0|1,0,0]=3 7343 B15R0.5057 C=CCCCCCSCC(C)(C)C(=O)NC 62a_100000700193_100000702813 [0,2,0,0,0,0|2,0,0]=4 7344 B15R0.5057 C=CCCCCCSCC(C)(C)C(=O)NC 62a_100000702813_100000700193 [0,2,0,0,0,0|2,0,0]=4 7345 B15R0.5057 C=CCCCCCSCC(C)(C)C(=O)OC 62a_100000684552_100000700193 [0,2,0,0,0,0|1,0,0]=3 7346 B15R0.5057 C=CCCCCCSCC(C)(C)C(=O)OC 62a_100000700193_100000684552 [0,2,0,0,0,0|1,0,0]=3 7347 B15R0.5057 C=CCCCCCSCC(F)(F)C(=O)OC 62a_100000700193_100010295740 [0,2,0,0,0,0|1,0,0]=3 7348 B15R0.5057 C=CCCCCCSCC(F)(F)C(=O)OC 62a_100010295740_100000700193 [0,2,0,0,0,0|1,0,0]=3 7349 B15R0.5057 C=CCCCNCCCC(C)(C)C(=O)OC 2230a_100000700776_100010114820 [0,2,0,0,0,0|1,0,0]=3 7350 B15R0.5057 C=CCCCNCCCC(C)(C)C(=O)OC 34a_100000700776_100010114820 [0,2,0,0,0,0|1,0,0]=3 7351 B15R0.5057 C=CCCCOCCCC(C)(C)C(=O)OC 34a_100000758997_100010114820 [0,2,0,0,0,0|1,0,0]=3 7352 B15R0.5057 C=CCCCOCCCC(C)(C)C(=O)OC 7a_100000758997_100010114820 [0,2,0,0,0,0|1,0,0]=3 7353 B15R0.5057 C=CCCCSCCCC(C)(C)C(=O)OC 62a_100010114820_100000757094 [0,2,0,0,0,0|1,0,0]=3 7354 B15R0.5057 C=CCCCSCCCC(C)(C)C(=O)OC 62a_100011713584_100010114820 [0,2,0,0,0,0|1,0,0]=3 7355 B15R0.5057 C=COCCCCOCC(F)(F)C(=O)OC 34a_100000031558_100010295740 [0,2,0,0,0,0|2,0,0]=4 7356 B15R0.5057 C=COCCOCCCC(C)(C)C(=O)OC 34a_100000033082_100010114820 [0,2,0,0,0,0|2,0,0]=4 7357 B15R0.5057 C=COCCSCCCC(C)(C)C(=O)OC 62a_100000039644_100010114820 [0,2,0,0,0,0|2,0,0]=4 7358 B15R0.5057 C=COCCSCCCC(C)(C)C(=O)OC 62a_100010114820_100000039644 [0,2,0,0,0,0|2,0,0]=4 7359 B15R0.5057 COC(=O)C(C)(C)CCCSCCCC=O 62a_100010114820_200011292268 [0,2,0,0,0,0|2,0,0]=4 7360 B15R0.5057 COC(=O)C(C)(C)CCCSCCCC=O 62a_200011292268_100010114820 [0,2,0,0,0,0|2,0,0]=4 7361 B15R0.5057 COC(=O)C(C)(C)COCCCCCC=O 7a_100000709632_100000139337 [0,2,0,0,0,0|2,0,0]=4 7362 B15R0.5057 COC(=O)C(C)(C)CSCCCCCC=O 62a_100000139337_100000684552 [0,2,0,0,0,0|2,0,0]=4 7363 B15R0.5057 COC(=O)C(C)(C)CSCCCCCC=O 62a_100000684552_100000139337 [0,2,0,0,0,0|2,0,0]=4 7364 B15R0.5057 COC(=O)C(F)(F)CSCCCCCC=O 62a_100000139337_100010295740 [0,2,0,0,0,0|2,0,0]=4 7365 B15R0.5057 COC(=O)C(F)(F)CSCCCCCC=O 62a_100010295740_100000139337 [0,2,0,0,0,0|2,0,0]=4 7366 B15R0.174 C=C(C)C(=O)CCCCCCCC(=O)OC 1458a_100000185857_100010004213 [0,2,0,0,0,0|0,0,1]=3 7367 B15R0.174 C=C(C)C(=O)NCCCCCCC(=O)OC 188690a_100000739044_100000185857 [0,2,0,0,0,0|1,0,1]=4 7368 B15R0.174 COC(=O)CCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100009815986 [0,2,0,0,0,0|2,0,0]=4 7369 B15R0.174 COC(=O)CCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100009815986 [0,2,0,0,0,0|2,0,0]=4 7370 B15R0.174 COC(=O)CCCCCCN[C@H](C)C(=O)N 34a_100000119354_100009815986 [0,2,0,0,0,0|2,0,0]=4 7371 B15R0.174 COC(=O)CCCCCCOC(C)C(=O)C 34a_100000212229_100009815986 [0,2,0,0,0,0|1,0,1]=4 7372 B15R0.174 COC(=O)CCCCCCOC(C)C(=O)C 7a_100009863599_100000179758 [0,2,0,0,0,0|1,0,1]=4 7373 B15R0.174 COC(=O)CCCCCCOC(C)C(=O)N 34a_100009863599_100000702099 [0,2,0,0,0,0|2,0,0]=4 7374 B15R0.174 COC(=O)CCCCCCOC(C)C(=O)N 7a_100009863599_100000702099 [0,2,0,0,0,0|2,0,0]=4 7375 B15R0.174 COC(=O)CCCCCCOC(F)C(=O)N 34a_100009863599_100009813875 [0,2,0,0,0,0|2,0,0]=4 7376 B15R0.174 COC(=O)CCCCCCOC(F)C(=O)N 7a_100009863599_100009813875 [0,2,0,0,0,0|2,0,0]=4 7377 B15R0.174 COC(=O)CCCCCCOC(F)C(=O)[O-] 34a_100009863599_100020610796 [0,2,0,0,0,0|2,0,0]=4 7378 B15R0.174 COC(=O)CCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100009815986 [0,2,0,0,0,0|2,0,0]=4 7379 B15R0.174 COC(=O)CCCCCCO[C@H](C)C(=O)N 34a_100000731257_100009815986 [0,2,0,0,0,0|2,0,0]=4 7380 B15R0.174 COC(=O)CCCCCCO[C@H](C)C(=O)N 7a_100000731257_100009815986 [0,2,0,0,0,0|2,0,0]=4 7381 B15R0.174 COC(=O)CCCCCCSC(C)C(=O)C 62a_100009814033_100009815986 [0,2,0,0,0,0|1,0,1]=4 7382 B15R0.174 COC(=O)CCCCCCSC(C)C(=O)C 62a_100009815986_100009814033 [0,2,0,0,0,0|1,0,1]=4 7383 B15R0.174 COC(=O)CCCCCCSC(C)C(=O)N 62a_100000702099_100009815986 [0,2,0,0,0,0|2,0,0]=4 7384 B15R0.174 COC(=O)CCCCCCSC(C)C(=O)N 62a_100009815986_100000702099 [0,2,0,0,0,0|2,0,0]=4 7385 B15R0.174 COC(=O)CCCCCCSC(F)C(=O)N 62a_100009813875_100009815986 [0,2,0,0,0,0|2,0,0]=4 7386 B15R0.174 COC(=O)CCCCCCSC(F)C(=O)N 62a_100009815986_100009813875 [0,2,0,0,0,0|2,0,0]=4 7387 B15R0.174 COC(=O)CCCCCCSC(F)C(=O)[O-] 62a_100009815986_100020610796 [0,2,0,0,0,0|2,0,0]=4 7388 B15R0.174 COC(=O)CCCCCCSC(F)C(=O)[O-] 62a_100020610796_100009815986 [0,2,0,0,0,0|2,0,0]=4 7389 B15R0.174 COC(=O)CCCCCNCC(C)C(=O)O 269956a_100000749485_100009816466 [0,2,0,0,0,0|2,0,0]=4 7390 B15R0.174 COC(=O)CCCCCNCC(F)C(=O)O 269956a_100000084737_100009816466 [0,2,0,0,0,0|2,0,0]=4 7391 B15R0.174 COC(=O)CCCCCOCC(C)C(=O)C 34a_100000032740_100009816466 [0,2,0,0,0,0|1,0,1]=4 7392 B15R0.174 COC(=O)CCCCCOCC(C)C(=O)C 7a_100000032740_100009816466 [0,2,0,0,0,0|1,0,1]=4 7393 B15R0.174 COC(=O)CCCCCOC[C@H](N)C(=O)N 34a_100000729942_100009816466 [0,2,0,0,0,0|2,0,0]=4 7394 B15R0.384 C#CCC(=O)CCCCCCCC(=O)OC 1458a_100000033222_100000184674 [0,2,0,0,0,0|0,0,2]=4 7395 B15R0.384 C#CCC(=O)CCCCCCCC(=O)OC 1458a_100011220946_100010004213 [0,2,0,0,0,0|0,0,2]=4 7396 B15R0.384 C#CCC(C)OCCCCCCC(=O)OC 34a_100000685586_100009815986 [0,2,0,0,0,0|0,0,2]=4 7397 B15R0.384 C#CCC(C)OCCCCCCC(=O)OC 7a_100000685586_100009815986 [0,2,0,0,0,0|0,0,2]=4 7398 B15R0.384 C#CCN(C)CCCCCCCC(=O)OC 2230a_100000225692_100010004213 [0,2,0,0,0,0|0,0,2]=4 7399 B15R0.384 C#CCN(C)CCCCCCCC(=O)OC 34a_100000225692_100010004213 [0,2,0,0,0,0|0,0,2]=4 7400 B15R0.384 C/C=C/C(C)OCCCCCCC(=O)OC 34a_200102604097_100009815986 [0,2,0,0,0,0|1,0,0]=3 7401 B15R0.384 C=CC(=O)CCCCCCCC(=O)OCC 1458a_100000185746_100009991516 [0,2,0,0,0,0|0,0,1]=3 7402 B15R0.384 C=CC(=O)OCCCCCCC(=O)COC 1458a_100000210968_100009894100 [0,2,0,0,0,0|1,0,1]=4 7403 B15R0.384 C=CC(C)COCCCCCC(=O)OCC 34a_100011215527_100000755133 [0,2,0,0,0,0|1,0,0]=3 7404 B15R0.384 C=CC(C)COCCCCCC(=O)OCC 7a_100011215527_100000755133 [0,2,0,0,0,0|1,0,0]=3 7405 B15R0.384 C=CC(C)COCCCOCC(=O)OCC 34a_100011215527_100009893628 [0,2,0,0,0,0|2,0,0]=4 7406 B15R0.384 C=CC(C)COCCCOCC(=O)OCC 7a_100011215527_100009893628 [0,2,0,0,0,0|2,0,0]=4 7407 B15R0.384 C=CC(C)OCCCCCCC(=O)OCC 34a_100000695699_100009814379 [0,2,0,0,0,0|1,0,0]=3 7408 B15R0.384 C=CC(C)SCCCCCCC(=O)OCC 62a_100011215867_100009814379 [0,2,0,0,0,0|1,0,0]=3 7409 B15R0.384 C=CC(O)COCCCCCC(=O)OCC 7a_100011214988_100000730141 [0,2,0,0,0,0|1,0,0]=3 7410 B15R0.384 C=CC(O)CSCCCCCC(=O)OCC 62a_100000730141_100000755133 [0,2,0,0,0,0|1,0,0]=3 7411 B15R0.384 C=CC(O)CSCCCCCC(=O)OCC 62a_100000755133_100000730141 [0,2,0,0,0,0|1,0,0]=3 7412 B15R0.384 C=CC(O)CSCCCOCC(=O)OCC 62a_100000730141_100009893628 [0,2,0,0,0,0|2,0,0]=4 7413 B15R0.384 C=CC(O)CSCCCOCC(=O)OCC 62a_100009893628_100000730141 [0,2,0,0,0,0|2,0,0]=4 7414 B15R0.384 C=CCC(=O)CCCCCCCC(=O)OC 1458a_100000033222_100000210623 [0,2,0,0,0,0|0,0,0]=2 7415 B15R0.384 C=CCC(=O)CCCCCCCC(=O)OC 1458a_100000210193_100010004213 [0,2,0,0,0,0|0,0,0]=2 7416 B15R0.384 C=CCC(=O)NCCCCCCC(=O)OC 188690a_100000739044_100000210193 [0,2,0,0,0,0|0,0,1]=3 7417 B15R0.384 C=CCC(C)COCCCCCC(=O)OC 34a_100009832082_100009816466 [0,2,0,0,0,0|0,0,0]=2 7418 B15R0.384 C=CCC(C)COCCCCCC(=O)OC 7a_100009832082_100009816466 [0,2,0,0,0,0|0,0,0]=2 7419 B15R0.384 C=CCN(C)CCCCCCCC(=O)OC 2230a_100000225617_100010004213 [0,2,0,0,0,0|0,0,0]=2 7420 B15R0.384 C=CCN(C)CCCCCCCC(=O)OC 269982a_100000225617_100010004213 [0,2,0,0,0,0|0,0,0]=2 7421 B15R0.384 C=CC[C@@H](C)OCCCCCCC(=O)OC 34a_100000731007_100009815986 [0,2,0,0,0,0|0,0,0]=2 7422 B15R0.384 C=CC[C@@H](C)OCCCCCCC(=O)OC 7a_100000731007_100009815986 [0,2,0,0,0,0|0,0,0]=2 7423 B15R0.384 C=CC[C@@H](N)COCCCCCC(=O)OC 34a_100020615467_100009816466 [0,2,0,0,0,0|0,0,0]=2 7424 B15R0.384 C=COC(=O)COCCCCCC(=O)OC 34a_100000074720_100000036128 [0,2,0,0,0,0|1,0,1]=4 7425 B15R0.384 C=COC(=O)CSCCCCCC(=O)OC 62a_100000036128_100009816466 [0,2,0,0,0,0|1,0,1]=4 7426 B15R0.384 C=COC(=O)CSCCCCCC(=O)OC 62a_100009816466_100000036128 [0,2,0,0,0,0|1,0,1]=4 7427 B15R0.384 C=C[C@H](N)COCCCCCC(=O)OCC 34a_100016989147_100000755133 [0,2,0,0,0,0|1,0,0]=3 7428 B15R0.384 C=C[C@H](N)COCCCOCC(=O)OCC 34a_100016989147_100009893628 [0,2,0,0,0,0|2,0,0]=4 7429 B15R0.384 CC=CC(=O)CCCCCCCC(=O)OC 1458a_100000210699_100010004213 [0,2,0,0,0,0|0,0,1]=3 7430 B15R0.384 CC=CC(=O)NCCCCCCC(=O)OC 188690a_100000739044_100000210699 [0,2,0,0,0,0|1,0,1]=4 7431 B15R0.384 CCCC(=O)CCCCCCCC(=O)OC 1458a_100000033222_100000210303 [0,2,0,0,0,0|0,0,2]=4 7432 B15R0.384 CCCC(=O)CCCCCCCC(=O)OC 1458a_100000211992_100010004213 [0,2,0,0,0,0|0,0,2]=4 7433 B15R0.384 CCCC(C)CCCOCCCC(=O)OC 34a_100011713154_100000742333 [0,2,0,0,0,0|0,0,2]=4 7434 B15R0.384 CCCC(C)CCCOCCCC(=O)OC 7a_100011713154_100011218270 [0,2,0,0,0,0|0,0,2]=4 7435 B15R0.384 CCCC(C)CCOCCCCC(=O)OC 34a_100011217855_100000204269 [0,2,0,0,0,0|0,0,2]=4 7436 B15R0.384 CCCC(C)CCOCCCCC(=O)OC 7a_100011217855_100000204269 [0,2,0,0,0,0|0,0,2]=4 7437 B15R0.384 CCCC(C)COCCCCCC(=O)OC 34a_100000074720_100011216630 [0,2,0,0,0,0|0,0,2]=4 7438 B15R0.384 CCCC(C)COCCCCCC(=O)OC 34a_100000688023_100009816466 [0,2,0,0,0,0|0,0,2]=4 7439 B15R0.384 CCCC(C)COCCCCCC(=O)OC 7a_100000074720_100011216630 [0,2,0,0,0,0|0,0,2]=4 7440 B15R0.384 CCCC(C)COCCCCCC(=O)OC 7a_100000688023_100009816466 [0,2,0,0,0,0|0,0,2]=4 7441 B15R0.384 CCCC(C)CSCCCCCC(=O)OC 62a_100009816466_100011216630 [0,2,0,0,0,0|0,0,2]=4 7442 B15R0.384 CCCC(C)CSCCCCCC(=O)OC 62a_100011216630_100009816466 [0,2,0,0,0,0|0,0,2]=4 7443 B15R0.384 CCCC(C)NCCCCCCC(=O)OC 2230a_100000741246_100009815986 [0,2,0,0,0,0|0,0,2]=4 7444 B15R0.384 CCCC(C)OCCCCCCC(=O)OC 34a_100000764384_100009815986 [0,2,0,0,0,0|0,0,2]=4 7445 B15R0.384 CCCC(C)OCCCCCCC(=O)OC 34a_100009863599_100000766640 [0,2,0,0,0,0|0,0,2]=4 7446 B15R0.384 CCCC(C)OCCCCCCC(=O)OC 7a_100000764384_100009815986 [0,2,0,0,0,0|0,0,2]=4 7447 B15R0.384 CCCC(C)OCCCCCCC(=O)OC 7a_100009863599_100000766640 [0,2,0,0,0,0|0,0,2]=4 7448 B15R0.384 CCCC(C)SCCCCCCC(=O)OC 62a_100000766640_100009815986 [0,2,0,0,0,0|0,0,2]=4 7449 B15R0.384 CCCC(C)SCCCCCCC(=O)OC 62a_100009815986_100000766640 [0,2,0,0,0,0|0,0,2]=4 7450 B15R0.384 CCCN(C)CCCCCCCC(=O)OC 2230a_100000747261_100010004213 [0,2,0,0,0,0|0,0,2]=4 7451 B15R0.384 CCCN(C)CCCCCCCC(=O)OC 269982a_100000747261_100010004213 [0,2,0,0,0,0|0,0,2]=4 7452 B15R0.384 CCC[C@H](N)CCOCCCCC(=O)OC 34a_100015193777_100000204269 [0,2,0,0,0,0|0,0,2]=4 7453 B15R0.384 CCC[C@H](N)COCCCCCC(=O)OC 34a_100000732646_100009816466 [0,2,0,0,0,0|0,0,2]=4 7454 B15R0.384 COC(=O)CCCCCCCC(=O)C=CBr 1458a_100016273825_100010004213 [0,2,0,0,0,0|0,0,1]=3 7455 B15R0.384 COC(=O)CCCCCCCC(=O)C=CCl 1458a_200016279998_100010004213 [0,2,0,0,0,0|0,0,1]=3 7456 B15R0.384 COC(=O)CCCCCCCC(=O)C=CI 1458a_100016256311_100010004213 [0,2,0,0,0,0|0,0,1]=3 7457 B15R0.384 COC(=O)CCCCCCCC(=O)CC#N 1458a_100000033222_100011214920 [0,2,0,0,0,0|1,0,1]=4 7458 B15R0.384 COC(=O)CCCCCCCC(=O)CC#N 1458a_100051588842_100010004213 [0,2,0,0,0,0|1,0,1]=4 7459 B15R0.384 COC(=O)CCCCCCCC(=O)CCF 1458a_100000033222_100011217306 [0,2,0,0,0,0|1,0,1]=4 7460 B15R0.384 COC(=O)CCCCCCCC(=O)CCO 1458a_100000033222_100000211926 [0,2,0,0,0,0|1,0,1]=4 7461 B15R0.384 COC(=O)CCCCCCCC(=O)CCO 1458a_100011216618_100010004213 [0,2,0,0,0,0|1,0,1]=4 7462 B15R0.384 COC(=O)CCCCCCCC(=O)CSC 1458a_100000184570_100010004213 [0,2,0,0,0,0|1,0,1]=4 7463 B15R0.384 COC(=O)CCCCCCCN(C)CC#N 2230a_100000748184_100010004213 [0,2,0,0,0,0|1,0,1]=4 7464 B15R0.384 COC(=O)CCCCCCCN(C)CCO 2230a_100000210263_100010004213 [0,2,0,0,0,0|1,0,1]=4 7465 B15R0.384 COC(=O)CCCCCCCN(C)CCO 269982a_100000210263_100010004213 [0,2,0,0,0,0|1,0,1]=4 7466 B15R0.384 COC(=O)CCCCCCN[C@@H](C)CC#N 2230a_100016994482_100009815986 [0,2,0,0,0,0|1,0,1]=4 7467 B15R0.384 COC(=O)CCCCCCN[C@H](C)CCO 2230a_100000706166_100009815986 [0,2,0,0,0,0|1,0,1]=4 7468 B15R0.384 COC(=O)CCCCCCN[C@H](C)CCO 34a_100000706166_100009815986 [0,2,0,0,0,0|1,0,1]=4 7469 B15R0.384 COC(=O)CCCCCCOC(C)CC#N 7a_100009863599_100009813641 [0,2,0,0,0,0|1,0,1]=4 7470 B15R0.384 COC(=O)CCCCCCOC(C)CCBr 34a_100012276601_100009815986 [0,2,0,0,0,0|1,0,1]=4 7471 B15R0.384 COC(=O)CCCCCCOC(C)CCO 34a_100009863599_100009893172 [0,2,0,0,0,0|1,0,1]=4 7472 B15R0.384 COC(=O)CCCCCCOC(C)CCO 7a_100009863599_100009893172 [0,2,0,0,0,0|1,0,1]=4 7473 B15R0.384 COC(=O)CCCCCCSC(C)CC#N 62a_100009813641_100009815986 [0,2,0,0,0,0|1,0,1]=4 7474 B15R0.384 COC(=O)CCCCCCSC(C)CC#N 62a_100009815986_100009813641 [0,2,0,0,0,0|1,0,1]=4 7475 B15R0.384 COC(=O)CCCCCCSC(C)CCO 62a_100009815986_100009893172 [0,2,0,0,0,0|1,0,1]=4 7476 B15R0.384 COC(=O)CCCCCCSC(C)CCO 62a_100009893172_100009815986 [0,2,0,0,0,0|1,0,1]=4 7477 B15R0.384 COC(=O)CCCCCOCC(C)CCN 34a_106354213184_100009816466 [0,2,0,0,0,0|1,0,1]=4 7478 B15R0.384 COC(=O)CCCCCOC[C@@H](O)CC#N 7a_100000074720_100000001066 [0,2,0,0,0,0|1,0,1]=4 7479 B15R0.384 COC(=O)CCCCCSC[C@@H](O)CC#N 62a_100000001066_100009816466 [0,2,0,0,0,0|1,0,1]=4 7480 B15R0.384 COC(=O)CCCCCSC[C@@H](O)CC#N 62a_100009816466_100000001066 [0,2,0,0,0,0|1,0,1]=4 7481 B15R0.384 COCC(=O)CCCCCCCC(=O)OC 1458a_100000210968_100010004213 [0,2,0,0,0,0|1,0,1]=4 7482 B15R0.384 COCC(C)OCCCCCCC(=O)OC 34a_100009863599_100000765312 [0,2,0,0,0,0|1,0,1]=4 7483 B15R0.384 COCC(C)OCCCCCCC(=O)OC 7a_100009863599_100000765312 [0,2,0,0,0,0|1,0,1]=4 7484 B15R0.384 COCC(C)SCCCCCCC(=O)OC 62a_100000765312_100009815986 [0,2,0,0,0,0|1,0,1]=4 7485 B15R0.384 COCC(C)SCCCCCCC(=O)OC 62a_100009815986_100000765312 [0,2,0,0,0,0|1,0,1]=4 7486 B15R0.384 COCC(N)COCCCCCC(=O)OC 34a_100000724102_100009816466 [0,2,0,0,0,0|1,0,1]=4 7487 B15R0.384 COCC(O)CNCCCCCC(=O)OC 2230a_100000756049_100009816466 [0,2,0,0,0,0|1,0,1]=4 7488 B15R0.384 COCC(O)CNCCCCCC(=O)OC 34a_100000756049_100009816466 [0,2,0,0,0,0|1,0,1]=4 7489 B15R0.384 COCC(O)COCCCCCC(=O)OC 34a_100000074720_100011215053 [0,2,0,0,0,0|1,0,1]=4 7490 B15R0.384 COCC(O)COCCCCCC(=O)OC 7a_100000074720_100011215053 [0,2,0,0,0,0|1,0,1]=4 7491 B15R0.384 COCC(O)CSCCCCCC(=O)OC 62a_100009816466_100011215053 [0,2,0,0,0,0|1,0,1]=4 7492 B15R0.384 COCC(O)CSCCCCCC(=O)OC 62a_100011215053_100009816466 [0,2,0,0,0,0|1,0,1]=4 7493 B15R0.384 COC[C@@H](C)NCCCCCCC(=O)OC 2230a_100000764878_100009815986 [0,2,0,0,0,0|1,0,1]=4 7494 B15R0.384 COC[C@@H](C)OCCCCCCC(=O)OC 34a_100011934205_100009815986 [0,2,0,0,0,0|1,0,1]=4 7495 B15R0.822 C=CC(C=C)OCCCCCCC(=O)OC 34a_100000033096_100009815986 [0,2,0,0,0,0|1,0,0]=3 7496 B15R0.822 C=CC(CC)OCCCCCCC(=O)OC 34a_100000766422_100009815986 [0,2,0,0,0,0|1,0,0]=3 7497 B15R0.822 C=CC(CC)OCCCCCCC(=O)OC 7a_100000766422_100009815986 [0,2,0,0,0,0|1,0,0]=3 7498 B15R0.822 C=C[C@@H](CO)NCCCCCCC(=O)OC 2230a_100016989147_100009815986 [0,2,0,0,0,0|1,0,0]=3 7499 B15R0.822 C=C[C@@H](CO)NCCCCCCC(=O)OC 34a_100016989147_100009815986 [0,2,0,0,0,0|1,0,0]=3 7500 B15R0.822 COC(=O)CCCCCCOC(C=O)C=O 34a_100009863599_100000736813 [0,2,0,0,0,0|2,0,0]=4 7501 B15R0.822 COC(=O)CCCCCCSC(C=O)C=O 62a_100000736813_100009815986 [0,2,0,0,0,0|2,0,0]=4 7502 B15R0.822 COC(=O)CCCCCCSC(C=O)C=O 62a_100009815986_100000736813 [0,2,0,0,0,0|2,0,0]=4 7503 B15R0.900 C=CC(C)(C)OCCCCCCC(=O)OC 34a_100011215311_100009815986 [0,2,0,0,0,0|1,0,0]=3 7504 B15R0.900 C=CC(C)(C)OCCCCCCC(=O)OC 7a_100011215311_100009815986 [0,2,0,0,0,0|1,0,0]=3 7505 B15R0.900 C=CC(F)(F)SCCCCCCC(=O)OC 62a_100009814244_100009815986 [0,2,0,0,0,0|1,0,0]=3 7506 B15R0.900 C=CC(F)(F)SCCCCCCC(=O)OC 62a_100009815986_100009814244 [0,2,0,0,0,0|1,0,0]=3 7507 B15R0.900 C=C[Si](C)(C)CSCCCCCC(=O)OC 62a_100000038793_100009816466 [0,2,0,0,0,0|1,1,0]=4 7508 B15R0.900 C=C[Si](C)(C)CSCCCCCC(=O)OC 62a_100009816466_100000038793 [0,2,0,0,0,0|1,1,0]=4 7509 B15R0.189 C#CCCCCC(=O)CCCCC(=O)OC 1458a_100000695723_100010269958 [0,2,0,0,0,0|0,0,2]=4 7510 B15R0.189 C#CCCCCC(=O)CCCCC(=O)OC 1458a_100000696528_100000204269 [0,2,0,0,0,0|0,0,2]=4 7511 B15R0.189 C=CCCCCC(=O)CCCCC(=O)OC 1458a_100000695723_100011215482 [0,2,0,0,0,0|0,0,0]=2 7512 B15R0.189 C=CCCCCC(=O)CCCCC(=O)OC 1458a_100011215552_100000204269 [0,2,0,0,0,0|0,0,0]=2 7513 B15R0.189 C=CCCCCC(=O)CCCNC(=O)OC 1458a_100000753017_100011215482 [0,2,0,0,0,0|0,0,1]=3 7514 B15R0.189 C=CCCCCC(=O)CCOCC(=O)OC 1458a_100011215552_100000090808 [0,2,0,0,0,0|0,0,1]=3 7515 B15R0.189 C=CCCCCC(=O)NCCCC(=O)NC 11a_100000740002_100011215552 [0,2,0,0,0,0|1,0,1]=4 7516 B15R0.189 C=CCCCCC(=O)NCCCC(=O)NC 240690a_100000740002_100011215552 [0,2,0,0,0,0|1,0,1]=4 7517 B15R0.189 C=CCCCCC(=O)NCCCC(=O)NC 527a_100000740002_100011215552 [0,2,0,0,0,0|1,0,1]=4 7518 B15R0.189 C=CCCCCC(=O)NCCCC(=O)OC 188690a_100000184769_100011215552 [0,2,0,0,0,0|0,0,1]=3 7519 B15R0.189 C=CCCCCN(C)CCCCC(=O)OC 2230a_100012000471_100000204269 [0,2,0,0,0,0|0,0,0]=2 7520 B15R0.189 C=CCCCCN(C)CCCCC(=O)OC 269982a_100012000471_100000204269 [0,2,0,0,0,0|0,0,0]=2 7521 B15R0.189 C=CCCCCN(C)CCOCC(=O)OC 2230a_100012000471_100000090808 [0,2,0,0,0,0|1,0,0]=3 7522 B15R0.189 C=CCCCNC(=O)CCCCC(=O)OC 11a_100000700776_100000695723 [0,2,0,0,0,0|0,0,1]=3 7523 B15R0.189 C=CCCCNC(=O)CCCCC(=O)OC 1626a_100000700776_100000695723 [0,2,0,0,0,0|0,0,1]=3 7524 B15R0.189 C=CCCCNC(=O)CCCCC(=O)OC 240690a_100000700776_100000695723 [0,2,0,0,0,0|0,0,1]=3 7525 B15R0.189 C=CCCCNC(=O)CCCCC(=O)OC 527a_100000700776_100000695723 [0,2,0,0,0,0|0,0,1]=3 7526 B15R0.189 C=CCCCNC(=O)CCCNC(=O)OC 11a_100000700776_100000753017 [0,2,0,0,0,0|1,0,1]=4 7527 B15R0.189 C=CCCCNC(=O)CCCNC(=O)OC 1626a_100000700776_100000753017 [0,2,0,0,0,0|1,0,1]=4 7528 B15R0.189 C=CCCCNC(=O)CCCNC(=O)OC 240690a_100000700776_100000753017 [0,2,0,0,0,0|1,0,1]=4 7529 B15R0.189 C=CCCCNC(=O)CCCNC(=O)OC 527a_100000700776_100000753017 [0,2,0,0,0,0|1,0,1]=4 7530 B15R0.189 C=CCCNCC(=O)NCCCC(=O)OC 2230a_100015191253_100000230218 [0,2,0,0,0,0|1,0,1]=4 7531 B15R0.189 C=CCCOCC(=O)NCCCC(=O)OC 34a_100011205117_100000230218 [0,2,0,0,0,0|1,0,1]=4 7532 B15R0.189 C=CCCSCC(=O)NCCCC(=O)OC 62a_100000230218_100000754431 [0,2,0,0,0,0|1,0,1]=4 7533 B15R0.189 C=CCCSCC(=O)NCCCC(=O)OC 62a_100000754431_100000230218 [0,2,0,0,0,0|1,0,1]=4 7534 B15R0.189 C=CCOCCC(=O)CCCCC(=O)OC 1458a_200011217002_100000204269 [0,2,0,0,0,0|0,0,1]=3 7535 B15R0.189 C=CCOCCC(=O)CCOCC(=O)OC 1458a_200011217002_100000090808 [0,2,0,0,0,0|1,0,1]=4 7536 B15R0.189 C=CCOCCC(=O)NCCCC(=O)OC 188690a_100000184769_200011217002 [0,2,0,0,0,0|1,0,1]=4 7537 B15R0.189 CCCCCCC(=O)CCCCC(=O)OC 1458a_100000695723_100000210757 [0,2,0,0,0,0|0,0,2]=4 7538 B15R0.189 CCCCCCC(=O)CCCCC(=O)OC 1458a_100102632555_100000204269 [0,2,0,0,0,0|0,0,2]=4 7539 B15R0.189 CCCCCCC(C)CCOCC(=O)OC 34a_200011024964_100000747449 [0,2,0,0,0,0|0,0,2]=4 7540 B15R0.189 CCCCCCC(C)CCOCC(=O)OC 7a_200011024964_100000747449 [0,2,0,0,0,0|0,0,2]=4 7541 B15R0.189 CCCCCCC(C)NCCCC(=O)OC 2230a_100000210919_100011218270 [0,2,0,0,0,0|0,0,2]=4 7542 B15R0.189 CCCCCCC(C)NCCCC(=O)OC 34a_100000210919_100000742333 [0,2,0,0,0,0|0,0,2]=4 7543 B15R0.189 CCCCCCC(C)OCCCC(=O)OC 34a_100000210265_100000742333 [0,2,0,0,0,0|0,0,2]=4 7544 B15R0.189 CCCCCCC(C)OCCCC(=O)OC 7a_100000210265_100011218270 [0,2,0,0,0,0|0,0,2]=4 7545 B15R0.189 CCCCCCC(C)SCCCC(=O)OC 62a_100011215978_100011218270 [0,2,0,0,0,0|0,0,2]=4 7546 B15R0.189 CCCCCCC(C)SCCCC(=O)OC 62a_100011218270_100011215978 [0,2,0,0,0,0|0,0,2]=4 7547 B15R0.189 CCCCCCN(C)CCCCC(=O)OC 2230a_106256046315_100000204269 [0,2,0,0,0,0|0,0,2]=4 7548 B15R0.189 CCCCCCN(C)CCCCC(=O)OC 269982a_106256046315_100000204269 [0,2,0,0,0,0|0,0,2]=4 7549 B15R0.189 COC(=O)CCCCC(=O)CCCCC#N 1458a_100000695723_100000211819 [0,2,0,0,0,0|1,0,1]=4 7550 B15R0.189 COC(=O)CCCCC(=O)CCCCCF 1458a_100000695723_100000729378 [0,2,0,0,0,0|1,0,1]=4 7551 B15R0.189 COC(=O)CCCCC(=O)CCCCCO 1458a_100000695723_100000746330 [0,2,0,0,0,0|1,0,1]=4 7552 B15R0.189 COC(=O)CCCCC(=O)CCCCCO 1458a_100102619762_100000204269 [0,2,0,0,0,0|1,0,1]=4 7553 B15R0.189 COC(=O)CCCCN(C)CCCCCO 2230a_100000722520_100000204269 [0,2,0,0,0,0|1,0,1]=4 7554 B15R0.189 COC(=O)CCCCN(C)CCCCCO 269982a_100000722520_100000204269 [0,2,0,0,0,0|1,0,1]=4 7555 B15R0.189 COCCCCC(=O)CCCCC(=O)OC 1458a_100000695723_100000755781 [0,2,0,0,0,0|1,0,1]=4 7556 B15R0.238 C=CCCCC(=O)CCCCC(=O)N(C)C 1458a_100000766728_100000752486 [0,2,0,0,0,0|1,0,1]=4 7557 B15R0.244 C=CCCCC(=O)CCCCC(=O)OCC 1458a_100000766728_100000750268 [0,2,0,0,0,0|0,0,1]=3 7558 B15R0.244 C=CCCCC(=O)CCCCC(=O)OCC 1458a_100011217402_100000757094 [0,2,0,0,0,0|0,0,1]=3 7559 B15R0.244 C=CCCCC(=O)CCOCC(=O)OCC 1458a_100000766728_100000088970 [0,2,0,0,0,0|1,0,1]=4 7560 B15R0.244 C=CCCCC(=O)NCCCC(=O)OCC 188690a_100000211256_100000766728 [0,2,0,0,0,0|1,0,1]=4 7561 B15R0.244 C=CCCNC(=O)CCCCC(=O)OCC 11a_100015191253_100011217402 [0,2,0,0,0,0|1,0,1]=4 7562 B15R0.244 C=CCCNC(=O)CCCCC(=O)OCC 1626a_100015191253_100011217402 [0,2,0,0,0,0|1,0,1]=4 7563 B15R0.244 C=CCCNC(=O)CCCCC(=O)OCC 240690a_100015191253_100011217402 [0,2,0,0,0,0|1,0,1]=4 7564 B15R0.244 C=CCCNC(=O)CCCCC(=O)OCC 527a_100015191253_100011217402 [0,2,0,0,0,0|1,0,1]=4 7565 B15R0.244 C=CCSCC(=O)CCCCC(=O)OCC 1458a_100000230395_100000750268 [0,2,0,0,0,0|1,0,1]=4 7566 B15R0.244 C=COCCC(=O)CCCCC(=O)OCC 1458a_100011217402_100000039644 [0,2,0,0,0,0|1,0,1]=4 7567 B15R0.246 COC(=O)CCCCC(=O)CCCC(=O)C 1458a_100000695723_100011215641 [0,2,0,0,0,0|0,0,2]=4 7568 B15R0.246 COC(=O)CCCCC(=O)CCCC(=O)N 1458a_100000695723_100102525003 [0,2,0,0,0,0|1,0,1]=4 7569 B15R0.246 COC(=O)CCCCN(C)CCCC(=O)O 269956a_100000719178_100000204269 [0,2,0,0,0,0|2,0,0]=4 7570 B15R0.246 COC(=O)CCCOC(C)CCCC(=O)[O-] 7a_100000761597_100011218270 [0,2,0,0,0,0|2,0,0]=4 7571 B15R0.2110 C=CCCNS(=O)(=O)CCCCC(=O)OC 270084a_100015191253_100000055593 [0,2,0,0,0,0|2,0,0]=4 7572 B15R0.2110 C=CCCNS(=O)(=O)CCCCC(=O)OC 274078a_100015191253_100000055593 [0,2,0,0,0,0|2,0,0]=4 7573 B15R0.111 C=C(Br)CCOCCCCCC(=O)OCC 34a_100009813270_100000755133 [0,2,0,0,0,0|1,0,0]=3 7574 B15R0.111 C=C(Br)CCOCCCOCC(=O)OCC 34a_100009813270_100009893628 [0,2,0,0,0,0|2,0,0]=4 7575 B15R0.111 C=C(C)CCOCCCCCC(=O)OCC 34a_100000764851_100000755133 [0,2,0,0,0,0|1,0,0]=3 7576 B15R0.111 C=C(C)CCOCCCCCC(=O)OCC 7a_100011214988_100000730704 [0,2,0,0,0,0|1,0,0]=3 7577 B15R0.111 C=C(C)CCOCCCOCC(=O)OCC 34a_100000764851_100009893628 [0,2,0,0,0,0|2,0,0]=4 7578 B15R0.111 C=C(C)CCSCCCCCC(=O)OCC 62a_100000730704_100000755133 [0,2,0,0,0,0|1,0,0]=3 7579 B15R0.111 C=C(C)CCSCCCCCC(=O)OCC 62a_100000755133_100000730704 [0,2,0,0,0,0|1,0,0]=3 7580 B15R0.111 C=C(C)CCSCCCOCC(=O)OCC 62a_100000730704_100009893628 [0,2,0,0,0,0|2,0,0]=4 7581 B15R0.111 C=C(C)CCSCCCOCC(=O)OCC 62a_100009893628_100000730704 [0,2,0,0,0,0|2,0,0]=4 7582 B15R0.111 C=C(C)COCCCCCCC(=O)OCC 34a_100000210245_100009814379 [0,2,0,0,0,0|1,0,0]=3 7583 B15R0.111 C=C(C)CSCCCCCCC(=O)OCC 62a_100000748629_100009814379 [0,2,0,0,0,0|1,0,0]=3 7584 B15R0.111 C=C(F)COCCCCCCC(=O)OCC 34a_200010262243_100009814379 [0,2,0,0,0,0|1,0,0]=3 7585 B15R0.111 C=C(F)CSCCCCCCC(=O)OCC 62a_100000042424_100009814379 [0,2,0,0,0,0|1,0,0]=3 7586 B15R0.111 CCOC(=O)CCCCCCCCC(=O)C 1458a_100000070787_100010175975 [0,2,0,0,0,0|0,0,1]=3 7587 B15R0.111 CCOC(=O)CCCCCCCCC(=O)C 1458a_200000016031_200000210301 [0,2,0,0,0,0|0,0,1]=3 7588 B15R0.111 CCOC(=O)CCCCCCCCC(=O)[13CH3] 1458a_200000016031_200025704644 [0,2,0,0,0,0|0,0,1]=3 7589 B15R0.111 CCOC(=O)CCCCCCCCN(C)C 2230a_100102631434_100010175975 [0,2,0,0,0,0|1,0,1]=4 7590 B15R0.111 CCOC(=O)CCCCCCCCN(C)C 269982a_100102631434_100010175975 [0,2,0,0,0,0|1,0,1]=4 7591 B15R0.111 CCOC(=O)CCCCCCNCC(=O)N 2230a_100000711301_100009814379 [0,2,0,0,0,0|2,0,0]=4 7592 B15R0.111 CCOC(=O)CCCCCCNCC(=O)O 269956a_100016091260_100009814379 [0,2,0,0,0,0|2,0,0]=4 7593 B15R0.111 CCOC(=O)CCCCCCOCC(=O)C 34a_100000211253_100009814379 [0,2,0,0,0,0|1,0,1]=4 7594 B15R0.111 CCOC(=O)CCCCCCSCC(=O)N 62a_100000747473_100009814379 [0,2,0,0,0,0|2,0,0]=4 7595 B15R0.111 CCOC(=O)CCCCCCSCC(=O)[O-] 62a_100020667443_100009814379 [0,2,0,0,0,0|2,0,0]=4 7596 B15R0.111 CCOC(=O)CCCCCOCCC(=O)C 34a_100000759926_100000755133 [0,2,0,0,0,0|1,0,1]=4 7597 B15R0.111 CCOC(=O)CCCCCOCCC(=O)C 7a_100000759926_100000755133 [0,2,0,0,0,0|1,0,1]=4 7598 B15R0.111 CCOC(=O)CCCCCOCCC(=O)C 7a_100011214988_100000053229 [0,2,0,0,0,0|1,0,1]=4 7599 B15R0.111 CCOC(=O)CCCCCOCCC(=O)N 34a_100000757172_100000755133 [0,2,0,0,0,0|2,0,0]=4 7600 B15R0.111 CCOC(=O)CCCCCOCCC(=O)N 7a_100000757172_100000755133 [0,2,0,0,0,0|2,0,0]=4 7601 B15R0.111 CCOC(=O)CCCCCOCCC(=O)N 7a_100011214988_100000744528 [0,2,0,0,0,0|2,0,0]=4 7602 B15R0.111 CCOC(=O)CCCCCSCCC(=O)C 62a_100000053229_100000755133 [0,2,0,0,0,0|1,0,1]=4 7603 B15R0.111 CCOC(=O)CCCCCSCCC(=O)C 62a_100000755133_100000053229 [0,2,0,0,0,0|1,0,1]=4 7604 B15R0.111 CCOC(=O)CCCCCSCCC(=O)N 62a_100000744528_100000755133 [0,2,0,0,0,0|2,0,0]=4 7605 B15R0.111 CCOC(=O)CCCCCSCCC(=O)N 62a_100000755133_100000744528 [0,2,0,0,0,0|2,0,0]=4 7606 B15R0.111 CCOC(=O)CCCCNCCCC(=O)N 34a_100000739312_100000750268 [0,2,0,0,0,0|2,0,0]=4 7607 B15R0.111 CCOC(=O)CCCCOCCCC(=O)C 34a_100000759063_100000750268 [0,2,0,0,0,0|1,0,1]=4 7608 B15R0.111 CCOC(=O)CCCCOCCCC(=O)C 7a_100000759063_100000750268 [0,2,0,0,0,0|1,0,1]=4 7609 B15R0.111 CCOC(=O)CCCCSCCCC(=O)C 62a_100000750268_100011215641 [0,2,0,0,0,0|1,0,1]=4 7610 B15R0.111 CCOC(=O)CCCCSCCCC(=O)C 62a_100011215641_100000750268 [0,2,0,0,0,0|1,0,1]=4 7611 B15R0.111 CCOC(=O)CCCCSCCCC(=O)N 62a_100000750268_100102525003 [0,2,0,0,0,0|2,0,0]=4 7612 B15R0.111 CCOC(=O)CCCCSCCCC(=O)N 62a_100102525003_100000750268 [0,2,0,0,0,0|2,0,0]=4 7613 B15R0.111 CCOC(=O)CCCNCCCCC(=O)N 34a_100000696515_100009991533 [0,2,0,0,0,0|2,0,0]=4 7614 B15R0.111 CCOC(=O)CCCOCCCCC(=O)C 7a_100012001163_100000735457 [0,2,0,0,0,0|1,0,1]=4 7615 B15R0.111 CCOC(=O)CCCOCCCCC(=O)N 34a_100012022536_100009991533 [0,2,0,0,0,0|2,0,0]=4 7616 B15R0.111 CCOC(=O)CCCOCCCCC(=O)N 7a_100012022536_100011215271 [0,2,0,0,0,0|2,0,0]=4 7617 B15R0.111 CCOC(=O)CCCSCCCCC(=O)C 62a_100000735457_100009991533 [0,2,0,0,0,0|1,0,1]=4 7618 B15R0.111 CCOC(=O)CCCSCCCCC(=O)C 62a_100009991533_100000735457 [0,2,0,0,0,0|1,0,1]=4 7619 B15R0.111 CCOC(=O)CCOCCCCCC(=O)N 34a_100000123541_100000765890 [0,2,0,0,0,0|2,0,0]=4 7620 B15R0.111 CCOC(=O)CCOCCCCCC(=O)N 7a_100000123541_100011206558 [0,2,0,0,0,0|2,0,0]=4 7621 B15R0.111 CCOC(=O)CCOCCCCCC(=O)[O-] 7a_100102619762_100011206558 [0,2,0,0,0,0|2,0,0]=4 7622 B15R0.111 CCOC(=O)CCSCCCCCC(=O)N 62a_100000765890_100009817443 [0,2,0,0,0,0|2,0,0]=4 7623 B15R0.111 CCOC(=O)CCSCCCCCC(=O)N 62a_100009817443_100000765890 [0,2,0,0,0,0|2,0,0]=4 7624 B15R0.172 C#CC(=O)CCCCCCCCC(=O)OC 1458a_100000211873_100010282707 [0,2,0,0,0,0|0,0,1]=3 7625 B15R0.172 C#CC(C)NCCCCCCCC(=O)OC 2230a_100000707721_100010004213 [0,2,0,0,0,0|0,0,2]=4 7626 B15R0.172 C#CC(C)NCCCCCCCC(=O)OC 34a_100000707721_100010004213 [0,2,0,0,0,0|0,0,2]=4 7627 B15R0.172 C#CC(C)OCCCCCCCC(=O)OC 34a_100011022521_200000035995 [0,2,0,0,0,0|0,0,2]=4 7628 B15R0.172 C#CC(C)SCCCCCCCC(=O)OC 62a_200000035995_100010004213 [0,2,0,0,0,0|0,0,2]=4 7629 B15R0.172 C#CC(O)CCCCCSCCC(=O)OC 62a_100000204255_200010408556 [0,2,0,0,0,0|0,0,2]=4 7630 B15R0.172 C#CC(O)CCCCCSCCC(=O)OC 62a_200010408556_100000204255 [0,2,0,0,0,0|0,0,2]=4 7631 B15R0.172 C#C[C@@H](C)OCCCCCCCC(=O)OC 34a_100009815206_100010004213 [0,2,0,0,0,0|0,0,2]=4 7632 B15R0.172 C#C[C@@H](C)OCCCCCCCC(=O)OC 7a_100009815206_100010004213 [0,2,0,0,0,0|0,0,2]=4 7633 B15R0.172 C=C(C#N)COCCCCCCC(=O)OC 34a_100009863599_100000694840 [0,2,0,0,0,0|1,0,0]=3 7634 B15R0.172 C=C(C#N)CSCCCCCCC(=O)OC 62a_100009815986_100000694840 [0,2,0,0,0,0|1,0,0]=3 7635 B15R0.172 C=CC(=O)CCCCCCCCC(=O)OC 1458a_100000185746_100010282707 [0,2,0,0,0,0|0,0,0]=2 7636 B15R0.172 C=CC(=O)NCCCCOCCC(=O)OC 34a_100014118770_100000742370 [0,2,0,0,0,0|1,0,1]=4 7637 B15R0.172 C=CC(=O)NCCNCCCCC(=O)OC 2230a_114873766552_100000204269 [0,2,0,0,0,0|1,0,1]=4 7638 B15R0.172 C=CC(=O)NCCOCCCCC(=O)OC 34a_100011304386_100000204269 [0,2,0,0,0,0|1,0,1]=4 7639 B15R0.172 C=CC(=O)OCCCCCOCC(=O)OC 7a_200011023508_100000747449 [0,2,0,0,0,0|1,0,1]=4 7640 B15R0.172 C=CC(=O)OCCOCCCCC(=O)OC 34a_100000059025_100009813456 [0,2,0,0,0,0|1,0,1]=4 7641 B15R0.172 C=CC(=O)OCCOCCCCC(=O)OC 7a_100000059025_100009813456 [0,2,0,0,0,0|1,0,1]=4 7642 B15R0.172 C=CC(=O)OCCSCCCCC(=O)OC 62a_100000204269_100009813456 [0,2,0,0,0,0|1,0,1]=4 7643 B15R0.172 C=CC(=O)OCCSCCCCC(=O)OC 62a_100009813456_100000204269 [0,2,0,0,0,0|1,0,1]=4 7644 B15R0.172 C=CC(C)COCCCCCCC(=O)OC 34a_100011215527_100009815986 [0,2,0,0,0,0|0,0,0]=2 7645 B15R0.172 C=CC(C)COCCCCCCC(=O)OC 7a_100011215527_100009815986 [0,2,0,0,0,0|0,0,0]=2 7646 B15R0.172 C=CC(C)OCCCCCCCC(=O)OC 34a_100000695699_100010004213 [0,2,0,0,0,0|0,0,0]=2 7647 B15R0.172 C=CC(C)SCCCCCCCC(=O)OC 62a_100011215867_100010004213 [0,2,0,0,0,0|0,0,0]=2 7648 B15R0.172 C=CC(O)COCCCCCCC(=O)OC 34a_100009863599_100000730141 [0,2,0,0,0,0|0,0,0]=2 7649 B15R0.172 C=CC(O)COCCCCCCC(=O)OC 7a_100009863599_100000730141 [0,2,0,0,0,0|0,0,0]=2 7650 B15R0.172 C=CC(O)CSCCCCCCC(=O)OC 62a_100000730141_100009815986 [0,2,0,0,0,0|0,0,0]=2 7651 B15R0.172 C=CC(O)CSCCCCCCC(=O)OC 62a_100009815986_100000730141 [0,2,0,0,0,0|0,0,0]=2 7652 B15R0.172 C=C[C@H](N)COCCCCCCC(=O)OC 34a_100016989147_100009815986 [0,2,0,0,0,0|0,0,0]=2 7653 B15R0.172 CCC(=O)CCCCCCCCC(=O)OC 1458a_100000036616_100000210202 [0,2,0,0,0,0|0,0,1]=3 7654 B15R0.172 CCC(=O)CCCCCCCCC(=O)OC 1458a_100000210414_100010282707 [0,2,0,0,0,0|0,0,1]=3 7655 B15R0.172 CCC(=O)COCCCCCCC(=O)OC 34a_100000725409_100009815986 [0,2,0,0,0,0|1,0,1]=4 7656 B15R0.172 CCC(=O)COCCCCCCC(=O)OC 7a_100009863599_100000747405 [0,2,0,0,0,0|1,0,1]=4 7657 B15R0.172 CCC(=O)CSCCCCCCC(=O)OC 62a_100000747405_100009815986 [0,2,0,0,0,0|1,0,1]=4 7658 B15R0.172 CCC(=O)CSCCCCCCC(=O)OC 62a_100009815986_100000747405 [0,2,0,0,0,0|1,0,1]=4 7659 B15R0.172 CCC(=O)NCCCCCCCC(=O)OC 188690a_100000687944_100000210414 [0,2,0,0,0,0|1,0,1]=4 7660 B15R0.172 CCC(C)CCCCCOCCC(=O)OC 7a_200000035636_100000204255 [0,2,0,0,0,0|0,0,2]=4 7661 B15R0.172 CCC(C)CCCOCCCCC(=O)OC 7a_100011216074_100000204269 [0,2,0,0,0,0|0,0,2]=4 7662 B15R0.172 CCC(C)CCNCCCCCC(=O)OC 2230a_100020591266_100009816466 [0,2,0,0,0,0|0,0,2]=4 7663 B15R0.172 CCC(C)CCOCCCCCC(=O)OC 7a_100011215188_100009816466 [0,2,0,0,0,0|0,0,2]=4 7664 B15R0.172 CCC(C)CNCCCCCCC(=O)OC 2230a_100020588543_100009815986 [0,2,0,0,0,0|0,0,2]=4 7665 B15R0.172 CCC(C)COCCCCCCC(=O)OC 34a_100009863599_100000748023 [0,2,0,0,0,0|0,0,2]=4 7666 B15R0.172 CCC(C)COCCCCCCC(=O)OC 7a_100009863599_100000748023 [0,2,0,0,0,0|0,0,2]=4 7667 B15R0.172 CCC(C)CSCCCCCCC(=O)OC 62a_100000748023_100009815986 [0,2,0,0,0,0|0,0,2]=4 7668 B15R0.172 CCC(C)CSCCCCCCC(=O)OC 62a_100009815986_100000748023 [0,2,0,0,0,0|0,0,2]=4 7669 B15R0.172 CCC(C)NCCCCCCCC(=O)OC 2230a_100000209981_100010004213 [0,2,0,0,0,0|0,0,2]=4 7670 B15R0.172 CCC(C)OCCCCCCCC(=O)OC 34a_100011022521_100011215416 [0,2,0,0,0,0|0,0,2]=4 7671 B15R0.172 CCC(C)OCCCCCCCC(=O)OC 7a_100000210228_100010004213 [0,2,0,0,0,0|0,0,2]=4 7672 B15R0.172 CCC(C)OCCCCCCCC(=O)OC 7a_100011022521_100000758301 [0,2,0,0,0,0|0,0,2]=4 7673 B15R0.172 CCC(C)SCCCCCCCC(=O)OC 62a_100000758301_100010004213 [0,2,0,0,0,0|0,0,2]=4 7674 B15R0.172 CCC(C)SCCCCCCCC(=O)OC 62a_100010004213_100000758301 [0,2,0,0,0,0|0,0,2]=4 7675 B15R0.172 CCC(O)CNCCCCCCC(=O)OC 2230a_100011218483_100009815986 [0,2,0,0,0,0|0,0,2]=4 7676 B15R0.172 CCC(O)COCCCCCCC(=O)OC 34a_100009863599_100011218378 [0,2,0,0,0,0|0,0,2]=4 7677 B15R0.172 CCC(O)COCCCCCCC(=O)OC 7a_100009863599_100011218378 [0,2,0,0,0,0|0,0,2]=4 7678 B15R0.172 CCC(O)CSCCCCCCC(=O)OC 62a_100009815986_100011218378 [0,2,0,0,0,0|0,0,2]=4 7679 B15R0.172 CCC(O)CSCCCCCCC(=O)OC 62a_100011218378_100009815986 [0,2,0,0,0,0|0,0,2]=4 7680 B15R0.172 CCN(C)CCCCCCCCC(=O)OC 2230a_100000225621_100010282707 [0,2,0,0,0,0|0,0,2]=4 7681 B15R0.172 CCN(C)CCCCCCCCC(=O)OC 269982a_100000225621_100010282707 [0,2,0,0,0,0|0,0,2]=4 7682 B15R0.172 CC[C@H](C)COCCCCCCC(=O)OC 34a_100009863599_100009816398 [0,2,0,0,0,0|0,0,2]=4 7683 B15R0.172 CC[C@H](C)COCCCCCCC(=O)OC 7a_100009816381_100009815986 [0,2,0,0,0,0|0,0,2]=4 7684 B15R0.172 CC[C@H](C)COCCCCCCC(=O)OC 7a_100009863599_100009816398 [0,2,0,0,0,0|0,0,2]=4 7685 B15R0.172 CC[C@H](C)CSCCCCCCC(=O)OC 62a_100009815986_100009816398 [0,2,0,0,0,0|0,0,2]=4 7686 B15R0.172 CC[C@H](C)CSCCCCCCC(=O)OC 62a_100009816398_100009815986 [0,2,0,0,0,0|0,0,2]=4 7687 B15R0.172 CNC(=O)CCCCCCCCC(=O)OC 11a_106832991635_100000036616 [0,2,0,0,0,0|0,0,1]=3 7688 B15R0.172 CNC(=O)CCCCCCCCC(=O)OC 1626a_100102657272_100000036616 [0,2,0,0,0,0|0,0,1]=3 7689 B15R0.172 CNC(=O)CCCCCCCCC(=O)OC 240690a_100102657272_100000036616 [0,2,0,0,0,0|0,0,1]=3 7690 B15R0.172 CNC(=O)CCCNCCCCC(=O)OC 2230a_100000740002_100000204269 [0,2,0,0,0,0|1,0,1]=4 7691 B15R0.172 CNC(=O)CCCNCCCCC(=O)OC 34a_100000740002_100000204269 [0,2,0,0,0,0|1,0,1]=4 7692 B15R0.172 CNC(=O)CCCOCCCCC(=O)OC 34a_100000059025_100000741757 [0,2,0,0,0,0|1,0,1]=4 7693 B15R0.172 CNC(=O)CCCOCCCCC(=O)OC 7a_100000059025_100000741757 [0,2,0,0,0,0|1,0,1]=4 7694 B15R0.172 CNC(=O)CCCSCCCCC(=O)OC 62a_100000204269_100000741757 [0,2,0,0,0,0|1,0,1]=4 7695 B15R0.172 CNC(=O)CCCSCCCCC(=O)OC 62a_100000741757_100000204269 [0,2,0,0,0,0|1,0,1]=4 7696 B15R0.172 CNC(=O)CCNCCCCCC(=O)OC 2230a_100000738227_100009816466 [0,2,0,0,0,0|1,0,1]=4 7697 B15R0.172 CNC(=O)CCNCCCCCC(=O)OC 34a_100000738227_100009816466 [0,2,0,0,0,0|1,0,1]=4 7698 B15R0.172 CNC(=O)CCOCCCCCC(=O)OC 34a_100000074720_100012179268 [0,2,0,0,0,0|1,0,1]=4 7699 B15R0.172 CNC(=O)CCOCCCCCC(=O)OC 34a_100000754576_100009816466 [0,2,0,0,0,0|1,0,1]=4 7700 B15R0.172 CNC(=O)CCOCCCCCC(=O)OC 7a_100000074720_100000737683 [0,2,0,0,0,0|1,0,1]=4 7701 B15R0.172 CNC(=O)CCSCCCCCC(=O)OC 62a_100000737683_100009816466 [0,2,0,0,0,0|1,0,1]=4 7702 B15R0.172 CNC(=O)CCSCCCCCC(=O)OC 62a_100009816466_100000737683 [0,2,0,0,0,0|1,0,1]=4 7703 B15R0.172 CNC(=O)CNCCCCCCC(=O)OC 2230a_100000693194_100009815986 [0,2,0,0,0,0|1,0,1]=4 7704 B15R0.172 CNC(=O)COCCCCCCC(=O)OC 34a_100000750040_100009815986 [0,2,0,0,0,0|1,0,1]=4 7705 B15R0.172 CNC(=O)COCCCCCCC(=O)OC 34a_100009863599_100000183359 [0,2,0,0,0,0|1,0,1]=4 7706 B15R0.172 CNC(=O)COCCCCCCC(=O)OC 7a_100009863599_100000183359 [0,2,0,0,0,0|1,0,1]=4 7707 B15R0.172 CNC(=O)CSCCCCCCC(=O)OC 62a_100000183359_100009815986 [0,2,0,0,0,0|1,0,1]=4 7708 B15R0.172 CNC(=O)CSCCCCCCC(=O)OC 62a_100009815986_100000183359 [0,2,0,0,0,0|1,0,1]=4 7709 B15R0.172 COC(=O)CCCCCCCCC(=O)CF 1458a_100000036616_100015361967 [0,2,0,0,0,0|0,0,1]=3 7710 B15R0.172 COC(=O)CCCCCCCCC(=O)CO 1458a_100000210174_100010282707 [0,2,0,0,0,0|0,0,1]=3 7711 B15R0.172 COC(=O)CCCCCCCNC(=O)CO 188690a_100000687944_100000210174 [0,2,0,0,0,0|1,0,1]=4 7712 B15R0.172 COC(=O)CCCCCCCNC(C)C#N 2230a_100000737613_100010004213 [0,2,0,0,0,0|1,0,1]=4 7713 B15R0.172 COC(=O)CCCCCCCN[C@H](C)CO 2230a_100000737577_100010004213 [0,2,0,0,0,0|1,0,1]=4 7714 B15R0.172 COC(=O)CCCCCCCOC(C)C#N 34a_100011218135_100010004213 [0,2,0,0,0,0|1,0,1]=4 7715 B15R0.172 COC(=O)CCCCCCCOC(C)C#N 7a_100011022521_100000703298 [0,2,0,0,0,0|1,0,1]=4 7716 B15R0.172 COC(=O)CCCCCCCOC(C)CF 34a_100016041109_100010004213 [0,2,0,0,0,0|1,0,1]=4 7717 B15R0.172 COC(=O)CCCCCCCOC(C)CF 7a_100016041109_100010004213 [0,2,0,0,0,0|1,0,1]=4 7718 B15R0.172 COC(=O)CCCCCCCOC(C)CN 34a_100000210904_100010004213 [0,2,0,0,0,0|1,0,1]=4 7719 B15R0.172 COC(=O)CCCCCCCOC(C)CO 34a_100011022521_100012180447 [0,2,0,0,0,0|1,0,1]=4 7720 B15R0.172 COC(=O)CCCCCCCOC(C)CO 7a_100011022521_100012180447 [0,2,0,0,0,0|1,0,1]=4 7721 B15R0.172 COC(=O)CCCCCCCSC(C)C#N 62a_100000703298_100010004213 [0,2,0,0,0,0|1,0,1]=4 7722 B15R0.172 COC(=O)CCCCCCCSC(C)C#N 62a_100010004213_100000703298 [0,2,0,0,0,0|1,0,1]=4 7723 B15R0.172 COC(=O)CCCCCCCSC(C)CO 62a_100012180447_100010004213 [0,2,0,0,0,0|1,0,1]=4 7724 B15R0.172 COC(=O)CCCCCCCSC(C)OC 62a_100009879195_100010004213 [0,2,0,0,0,0|1,0,1]=4 7725 B15R0.172 COC(=O)CCCCCCCSC(C)OC 62a_100010004213_100009879195 [0,2,0,0,0,0|1,0,1]=4 7726 B15R0.172 COC(=O)CCCCCCCSC(F)C#N 62a_100010004213_200000117898 [0,2,0,0,0,0|1,0,1]=4 7727 B15R0.172 COC(=O)CCCCCCCSC(F)C#N 62a_200000117898_100010004213 [0,2,0,0,0,0|1,0,1]=4 7728 B15R0.172 COC(=O)CCCCCCCS[C@H](C)CO 62a_100010004213_100016084084 [0,2,0,0,0,0|1,0,1]=4 7729 B15R0.172 COC(=O)CCCCCCCS[C@H](C)CO 62a_100016084084_100010004213 [0,2,0,0,0,0|1,0,1]=4 7730 B15R0.172 COC(=O)CCCCCCNCC(C)CO 34a_100000744482_100009815986 [0,2,0,0,0,0|1,0,1]=4 7731 B15R0.172 COC(=O)CCCCCCNC[C@@H](C)OC 2230a_100020591295_100009815986 [0,2,0,0,0,0|1,0,1]=4 7732 B15R0.172 COC(=O)CCCCCCNC[C@@H](F)CO 34a_100015665980_100009815986 [0,2,0,0,0,0|1,0,1]=4 7733 B15R0.172 COC(=O)CCCCCCNC[C@H](O)CO 2230a_100020644852_100009815986 [0,2,0,0,0,0|1,0,1]=4 7734 B15R0.172 COC(=O)CCCCCCOCC(=O)OC 34a_100009863599_100000747449 [0,2,0,0,0,0|1,0,1]=4 7735 B15R0.172 COC(=O)CCCCCCOCC(=O)OC 7a_100009863599_100000747449 [0,2,0,0,0,0|1,0,1]=4 7736 B15R0.172 COC(=O)CCCCCCOCC(C)CN 34a_100000744482_100009815986 [0,2,0,0,0,0|1,0,1]=4 7737 B15R0.172 COC(=O)CCCCCCOCC(C)OC 34a_100000690652_100009815986 [0,2,0,0,0,0|1,0,1]=4 7738 B15R0.172 COC(=O)CCCCCCOCC(Cl)CCl 34a_100000033668_100009815986 [0,2,0,0,0,0|1,0,1]=4 7739 B15R0.172 COC(=O)CCCCCCOCC(O)CO 34a_100009863599_100011219619 [0,2,0,0,0,0|1,0,1]=4 7740 B15R0.172 COC(=O)CCCCCCOCC(O)CO 7a_100009863599_100011219619 [0,2,0,0,0,0|1,0,1]=4 7741 B15R0.172 COC(=O)CCCCCCOC[C@@H](C)CO 34a_100009863599_100000059175 [0,2,0,0,0,0|1,0,1]=4 7742 B15R0.172 COC(=O)CCCCCCOC[C@@H](C)CO 7a_100009863599_100000059175 [0,2,0,0,0,0|1,0,1]=4 7743 B15R0.172 COC(=O)CCCCCCOC[C@@H](O)CF 34a_100009863599_100015614560 [0,2,0,0,0,0|1,0,1]=4 7744 B15R0.172 COC(=O)CCCCCCOC[C@@H](O)CF 7a_100009863599_100015614560 [0,2,0,0,0,0|1,0,1]=4 7745 B15R0.172 COC(=O)CCCCCCOC[C@@H](O)CO 34a_100009863599_100009815848 [0,2,0,0,0,0|1,0,1]=4 7746 B15R0.172 COC(=O)CCCCCCOC[C@@H](O)CO 7a_100009863599_100009815848 [0,2,0,0,0,0|1,0,1]=4 7747 B15R0.172 COC(=O)CCCCCCOC[C@H](F)CN 34a_100015665980_100009815986 [0,2,0,0,0,0|1,0,1]=4 7748 B15R0.172 COC(=O)CCCCCCSCC(=O)OC 62a_100000747449_100009815986 [0,2,0,0,0,0|1,0,1]=4 7749 B15R0.172 COC(=O)CCCCCCSCC(=O)OC 62a_100009815986_100000747449 [0,2,0,0,0,0|1,0,1]=4 7750 B15R0.172 COC(=O)CCCCCCSCC(O)CO 62a_100009815986_100011219619 [0,2,0,0,0,0|1,0,1]=4 7751 B15R0.172 COC(=O)CCCCCCSCC(O)CO 62a_100011219619_100009815986 [0,2,0,0,0,0|1,0,1]=4 7752 B15R0.172 COC(=O)CCCCCCSC[C@@H](C)CO 62a_100000059175_100009815986 [0,2,0,0,0,0|1,0,1]=4 7753 B15R0.172 COC(=O)CCCCCCSC[C@@H](C)CO 62a_100009815986_100000059175 [0,2,0,0,0,0|1,0,1]=4 7754 B15R0.172 COC(=O)CCCCCCSC[C@@H](O)CF 62a_100009815986_100015614560 [0,2,0,0,0,0|1,0,1]=4 7755 B15R0.172 COC(=O)CCCCCCSC[C@@H](O)CF 62a_100015614560_100009815986 [0,2,0,0,0,0|1,0,1]=4 7756 B15R0.172 COC(=O)CCCCCCSC[C@@H](O)CO 62a_100009815848_100009815986 [0,2,0,0,0,0|1,0,1]=4 7757 B15R0.172 COC(=O)CCCCCCSC[C@@H](O)CO 62a_100009815986_100009815848 [0,2,0,0,0,0|1,0,1]=4 7758 B15R0.172 COC(=O)CCCCCNCCC(C)CO 2230a_106354213184_100009816466 [0,2,0,0,0,0|1,0,1]=4 7759 B15R0.172 COC(=O)CCCCCNCCC(C)CO 34a_106354213184_100009816466 [0,2,0,0,0,0|1,0,1]=4 7760 B15R0.172 COC(=O)CCCCCOCCC(=NO)N 34a_100000749954_100009816466 [0,2,0,0,0,0|2,0,0]=4 7761 B15R0.172 COC(=O)CCCCCOCCC(=O)OC 34a_100000074720_100000742370 [0,2,0,0,0,0|1,0,1]=4 7762 B15R0.172 COC(=O)CCCCCOCCC(=O)OC 7a_100000074720_100000204255 [0,2,0,0,0,0|1,0,1]=4 7763 B15R0.172 COC(=O)CCCCCOCCC(C)OC 7a_100000764861_100009816466 [0,2,0,0,0,0|1,0,1]=4 7764 B15R0.172 COC(=O)CCCCCSCCC(=O)OC 62a_100000204255_100009816466 [0,2,0,0,0,0|1,0,1]=4 7765 B15R0.172 COC(=O)CCCCCSCCC(=O)OC 62a_100009816466_100000204255 [0,2,0,0,0,0|1,0,1]=4 7766 B15R0.172 COC(=O)CCCCOCCCC(=O)NN 34a_100000211488_100000204269 [0,2,0,0,0,0|2,0,0]=4 7767 B15R0.172 COC(=O)CCCCOCCCC(=O)OC 34a_100000059025_100000742333 [0,2,0,0,0,0|1,0,1]=4 7768 B15R0.172 COC(=O)CCCCOCCCC(=O)OC 7a_100000059025_100011218270 [0,2,0,0,0,0|1,0,1]=4 7769 B15R0.172 COC(=O)CCCCOCCC[C@@H](C)CN 34a_100160569302_100000204269 [0,2,0,0,0,0|1,0,1]=4 7770 B15R0.172 COC(=O)CCCCSCCCC(=O)OC 62a_100000204269_100011218270 [0,2,0,0,0,0|1,0,1]=4 7771 B15R0.172 COC(=O)CCCCSCCCC(=O)OC 62a_100011218270_100000204269 [0,2,0,0,0,0|1,0,1]=4 7772 B15R0.81 C#CC(=O)CCCCCCCCCCC=C 1458a_100000211873_100011093070 [0,2,0,0,0,0|1,0,1]=4 7773 B15R0.81 C#CCCCCCCCCOCC(=O)OC 34a_100000065265_100000747449 [0,2,0,0,0,0|0,0,2]=4 7774 B15R0.81 C#CCCCCCCCCOCC(=O)OC 7a_100000065265_100000747449 [0,2,0,0,0,0|0,0,2]=4 7775 B15R0.81 C#CCCCCCCCOCCC(=O)OC 34a_100000054614_100000742370 [0,2,0,0,0,0|0,0,2]=4 7776 B15R0.81 C#CCCCCCCCOCCC(=O)OC 7a_100000054614_100000204255 [0,2,0,0,0,0|0,0,2]=4 7777 B15R0.81 C#CCCCCCCCSCCC(=O)OC 62a_100000204255_100153394163 [0,2,0,0,0,0|0,0,2]=4 7778 B15R0.81 C#CCCCCCCCSCCC(=O)OC 62a_100153394163_100000204255 [0,2,0,0,0,0|0,0,2]=4 7779 B15R0.81 C#CCCCCCCCSCOC(=O)OC 62a_100153394163_100000139417 [0,2,0,0,0,0|0,0,2]=4 7780 B15R0.81 C#CCCCCCCOCCCC(=O)OC 34a_100011217361_100000742333 [0,2,0,0,0,0|0,0,2]=4 7781 B15R0.81 C#CCCCCCCOCCCC(=O)OC 7a_100011217361_100011218270 [0,2,0,0,0,0|0,0,2]=4 7782 B15R0.81 C#CCCCCCCOCCNC(=O)OC 34a_100000757965_100012276617 [0,2,0,0,0,0|0,0,2]=4 7783 B15R0.81 C#CCCCCCCOCCOC(=O)OC 34a_100010262106_100012276617 [0,2,0,0,0,0|0,0,2]=4 7784 B15R0.81 C#CCCCCCCSCCCC(=O)OC 62a_100011218270_100012276617 [0,2,0,0,0,0|0,0,2]=4 7785 B15R0.81 C#CCCCCCCSCCCC(=O)OC 62a_100012276617_100011218270 [0,2,0,0,0,0|0,0,2]=4 7786 B15R0.81 C#CCCCCCOCCCCC(=O)OC 34a_100000059025_100012094781 [0,2,0,0,0,0|0,0,2]=4 7787 B15R0.81 C#CCCCCCOCCCCC(=O)OC 34a_100000766912_100000204269 [0,2,0,0,0,0|0,0,2]=4 7788 B15R0.81 C#CCCCCCOCCCCC(=O)OC 7a_100000059025_100012094781 [0,2,0,0,0,0|0,0,2]=4 7789 B15R0.81 C#CCCCCCOCCCCC(=O)OC 7a_100000766912_100000204269 [0,2,0,0,0,0|0,0,2]=4 7790 B15R0.81 C#CCCCCCOCCOCC(=O)OC 34a_100000766912_100000090808 [0,2,0,0,0,0|0,0,2]=4 7791 B15R0.81 C#CCCCCCOCCOCC(=O)OC 7a_100000766912_100000090808 [0,2,0,0,0,0|0,0,2]=4 7792 B15R0.81 C#CCCCCCSCCCCC(=O)OC 62a_100000204269_100012094781 [0,2,0,0,0,0|0,0,2]=4 7793 B15R0.81 C#CCCCCCSCCCCC(=O)OC 62a_100012094781_100000204269 [0,2,0,0,0,0|0,0,2]=4 7794 B15R0.81 C#CCCCCCSCCOCC(=O)OC 62a_100000090808_100012094781 [0,2,0,0,0,0|0,0,2]=4 7795 B15R0.81 C#CCCCCCSCCOCC(=O)OC 62a_100012094781_100000090808 [0,2,0,0,0,0|0,0,2]=4 7796 B15R0.81 C#CCCCCNCCCCCC(=O)OC 2230a_100000706060_100009816466 [0,2,0,0,0,0|0,0,2]=4 7797 B15R0.81 C#CCCCCNCCCCCC(=O)OC 34a_100000706060_100009816466 [0,2,0,0,0,0|0,0,2]=4 7798 B15R0.81 C#CCCCCOCCCCCC(=O)OC 34a_100000074720_100010269958 [0,2,0,0,0,0|0,0,2]=4 7799 B15R0.81 C#CCCCCOCCCCCC(=O)OC 34a_100000766709_100009816466 [0,2,0,0,0,0|0,0,2]=4 7800 B15R0.81 C#CCCCCOCCCCCC(=O)OC 7a_100000074720_100010269958 [0,2,0,0,0,0|0,0,2]=4 7801 B15R0.81 C#CCCCCOCCCCCC(=O)OC 7a_100000766709_100009816466 [0,2,0,0,0,0|0,0,2]=4 7802 B15R0.81 C#CCCCCSCCCCCC(=O)OC 62a_100009816466_100010269958 [0,2,0,0,0,0|0,0,2]=4 7803 B15R0.81 C#CCCCCSCCCCCC(=O)OC 62a_100010269958_100009816466 [0,2,0,0,0,0|0,0,2]=4 7804 B15R0.81 C#CCCCNCCCCCCC(=O)OC 34a_100000718082_100009815986 [0,2,0,0,0,0|0,0,2]=4 7805 B15R0.81 C#CCCCOCCCCCCC(=O)OC 34a_100000215630_100009815986 [0,2,0,0,0,0|0,0,2]=4 7806 B15R0.81 C#CCCCOCCCCCCC(=O)OC 34a_100009863599_100000695029 [0,2,0,0,0,0|0,0,2]=4 7807 B15R0.81 C#CCCCOCCCCCCC(=O)OC 7a_100000215630_100009815986 [0,2,0,0,0,0|0,0,2]=4 7808 B15R0.81 C#CCCCOCCCCCCC(=O)OC 7a_100009863599_100011215417 [0,2,0,0,0,0|0,0,2]=4 7809 B15R0.81 C#CCCCSCCCCCCC(=O)OC 62a_100009815986_100011215417 [0,2,0,0,0,0|0,0,2]=4 7810 B15R0.81 C#CCCCSCCCCCCC(=O)OC 62a_100011215417_100009815986 [0,2,0,0,0,0|0,0,2]=4 7811 B15R0.81 C#CCCNCCCCCCCC(=O)OC 34a_100000755551_100010004213 [0,2,0,0,0,0|0,0,2]=4 7812 B15R0.81 C#CCCOCCCCCCCC(=O)OC 34a_100011022521_100000688953 [0,2,0,0,0,0|0,0,2]=4 7813 B15R0.81 C#CCCOCCCCCCCC(=O)OC 34a_100011215631_100010004213 [0,2,0,0,0,0|0,0,2]=4 7814 B15R0.81 C#CCCOCCCCCCCC(=O)OC 7a_100011022521_100000688953 [0,2,0,0,0,0|0,0,2]=4 7815 B15R0.81 C#CCCSCCCCCCCC(=O)OC 62a_100000688953_100010004213 [0,2,0,0,0,0|0,0,2]=4 7816 B15R0.81 C#CCCSCCCCCCCC(=O)OC 62a_100010004213_100000688953 [0,2,0,0,0,0|0,0,2]=4 7817 B15R0.81 C#CCNCCCCCCCCC(=O)OC 34a_100000212058_100010282707 [0,2,0,0,0,0|0,0,2]=4 7818 B15R0.81 C#CCOCCCCCCCCC(=O)OC 34a_100000035544_100000184674 [0,2,0,0,0,0|0,0,2]=4 7819 B15R0.81 C#CCOCCCCCCCCC(=O)OC 34a_100000210247_100010282707 [0,2,0,0,0,0|0,0,2]=4 7820 B15R0.81 C#CCOCCCCCCCCC(=O)OC 7a_100000035544_100000038162 [0,2,0,0,0,0|0,0,2]=4 7821 B15R0.81 C#CCOCCCCCCOCC(=O)OC 34a_200011021349_100000747449 [0,2,0,0,0,0|0,0,2]=4 7822 B15R0.81 C#CCOCCCCCCOCC(=O)OC 7a_200011021349_100000747449 [0,2,0,0,0,0|0,0,2]=4 7823 B15R0.81 C#CCOCCNCCCCCC(=O)OC 2230a_100000700922_100009816466 [0,2,0,0,0,0|0,0,2]=4 7824 B15R0.81 C#CCOCCNCCCCCC(=O)OC 34a_100000700922_100009816466 [0,2,0,0,0,0|0,0,2]=4 7825 B15R0.81 C#CCOCCOCCCCCC(=O)OC 34a_100000054580_100009816466 [0,2,0,0,0,0|0,0,2]=4 7826 B15R0.81 C#CCOCCOCCCCCC(=O)OC 34a_100000074720_100010402529 [0,2,0,0,0,0|0,0,2]=4 7827 B15R0.81 C#CCOCCOCCCCCC(=O)OC 7a_100000054580_100009816466 [0,2,0,0,0,0|0,0,2]=4 7828 B15R0.81 C#CCOCCOCCCCCC(=O)OC 7a_100000074720_100010402529 [0,2,0,0,0,0|0,0,2]=4 7829 B15R0.81 C#CCOCCSCCCCCC(=O)OC 62a_100009816466_100010402529 [0,2,0,0,0,0|0,0,2]=4 7830 B15R0.81 C#CCOCCSCCCCCC(=O)OC 62a_100010402529_100009816466 [0,2,0,0,0,0|0,0,2]=4 7831 B15R0.81 C#CCSCCCCCCCCC(=O)OC 62a_100000038162_100010282707 [0,2,0,0,0,0|0,0,2]=4 7832 B15R0.81 C/C=C/C=C/COCCCCCC(=O)OC 34a_100016283227_100009816466 [0,2,0,0,0,0|0,0,2]=4 7833 B15R0.81 C/C=C/CCOCCCCCCC(=O)OC 34a_100016278192_100009815986 [0,2,0,0,0,0|0,0,0]=2 7834 B15R0.81 C/C=C/COCCCCCCCC(=O)OC 34a_100011022521_100102629194 [0,2,0,0,0,0|0,0,0]=2 7835 B15R0.81 C/C=C/COCCCCCCCC(=O)OC 34a_100016270725_100010004213 [0,2,0,0,0,0|0,0,0]=2 7836 B15R0.81 C/C=C/COCCCCCCCC(=O)OC 7a_100011022521_100102629194 [0,2,0,0,0,0|0,0,0]=2 7837 B15R0.81 C/C=C/COCCOCCOCC(=O)OC 34a_100011023656_100102629194 [0,2,0,0,0,0|2,0,0]=4 7838 B15R0.81 C/C=C/COCCOCCOCC(=O)OC 7a_100011023656_100102629194 [0,2,0,0,0,0|2,0,0]=4 7839 B15R0.81 C/C=C/CSCCCCCCCC(=O)OC 62a_100010004213_100102629194 [0,2,0,0,0,0|0,0,0]=2 7840 B15R0.81 C/C=C/CSCCCCCCCC(=O)OC 62a_100102629194_100010004213 [0,2,0,0,0,0|0,0,0]=2 7841 B15R0.81 C=CCCC/C=C/COCCCC(=O)NC 34a_200016268473_100000741757 [0,2,0,0,0,0|1,0,1]=4 7842 B15R0.81 C=CCCC/C=C/COCCCC(=O)NC 7a_200016268473_100000741757 [0,2,0,0,0,0|1,0,1]=4 7843 B15R0.81 C=CCCC/C=C/COCCCC(=O)OC 34a_200016268473_100000742333 [0,2,0,0,0,0|0,0,1]=3 7844 B15R0.81 C=CCCC/C=C/COCCCC(=O)OC 7a_200016268473_100011218270 [0,2,0,0,0,0|0,0,1]=3 7845 B15R0.81 C=CCCCCCCCCCCC(=O)C=C 1458a_100000185746_100011093070 [0,2,0,0,0,0|1,0,1]=4 7846 B15R0.81 C=CCCCCCCCCCCC(=O)CC 1458a_100000210414_100011093070 [0,2,0,0,0,0|1,0,0]=3 7847 B15R0.81 C=CCCCCCCCCCCC(=O)CO 1458a_100000210174_100011093070 [0,2,0,0,0,0|2,0,0]=4 7848 B15R0.81 C=CCCCCCCCCCNC(=O)C=C 1626a_100000081888_100000185746 [0,2,0,0,0,0|1,0,1]=4 7849 B15R0.81 C=CCCCCCCCCCNC(=O)C=C 240690a_100000081888_200121576911 [0,2,0,0,0,0|1,0,1]=4 7850 B15R0.81 C=CCCCCCCCCCNC(=O)CC 11a_100000081888_100000210414 [0,2,0,0,0,0|1,0,0]=3 7851 B15R0.81 C=CCCCCCCCCCNC(=O)CC 1626a_100000081888_100000210414 [0,2,0,0,0,0|1,0,0]=3 7852 B15R0.81 C=CCCCCCCCCCNC(=O)CC 240690a_100000081888_100000210414 [0,2,0,0,0,0|1,0,0]=3 7853 B15R0.81 C=CCCCCCCCCCNC(=O)CC 527a_100000081888_100000210414 [0,2,0,0,0,0|1,0,0]=3 7854 B15R0.81 C=CCCCCCCCCCNC(=O)CO 240690a_100000081888_100000210174 [0,2,0,0,0,0|2,0,0]=4 7855 B15R0.81 C=CCCCCCCCCCNC(=O)CO 527a_100000081888_100000210174 [0,2,0,0,0,0|2,0,0]=4 7856 B15R0.81 C=CCCCCCCCCCNC(=O)NC 2708a_100000081888_106832991635 [0,2,0,0,0,0|1,0,0]=3 7857 B15R0.81 C=CCCCCCCCCCNC(=O)NC 2708a_100102657272_100000081888 [0,2,0,0,0,0|1,0,0]=3 7858 B15R0.81 C=CCCCCCCCCCNC(=O)NC 273464a_100000081888_100102657272 [0,2,0,0,0,0|1,0,0]=3 7859 B15R0.81 C=CCCCCCCCCCNC(=O)NC 273464a_100102657272_100000081888 [0,2,0,0,0,0|1,0,0]=3 7860 B15R0.81 C=CCCCCCCCCCNC(=O)NC 512a_100000081888_100102657272 [0,2,0,0,0,0|1,0,0]=3 7861 B15R0.81 C=CCCCCCCCCCNC(=O)NC 512a_106832991638_100000081888 [0,2,0,0,0,0|1,0,0]=3 7862 B15R0.81 C=CCCCCCCCCCSC(C)OC 62a_100009814027_100009879195 [0,2,0,0,0,0|1,0,1]=4 7863 B15R0.81 C=CCCCCCCCCCSC(C)OC 62a_100009879195_100009814027 [0,2,0,0,0,0|1,0,1]=4 7864 B15R0.81 C=CCCCCCCCCNCC(=O)NC 2230a_100000693194_100011933949 [0,2,0,0,0,0|1,0,0]=3 7865 B15R0.81 C=CCCCCCCCCNC[C@@H](C)OC 2230a_100020591295_100011933949 [0,2,0,0,0,0|1,0,1]=4 7866 B15R0.81 C=CCCCCCCCCOCC(=O)CC 34a_100000725409_100011933949 [0,2,0,0,0,0|1,0,0]=3 7867 B15R0.81 C=CCCCCCCCCOCC(=O)CC 7a_100011215194_100000747405 [0,2,0,0,0,0|1,0,0]=3 7868 B15R0.81 C=CCCCCCCCCOCC(=O)NC 34a_100000750040_100011933949 [0,2,0,0,0,0|1,0,0]=3 7869 B15R0.81 C=CCCCCCCCCOCC(=O)NC 34a_100011215194_100000183359 [0,2,0,0,0,0|1,0,0]=3 7870 B15R0.81 C=CCCCCCCCCOCC(=O)NC 7a_100011215194_100000183359 [0,2,0,0,0,0|1,0,0]=3 7871 B15R0.81 C=CCCCCCCCCOCC(=O)OC 34a_100011215194_100000747449 [0,2,0,0,0,0|0,0,0]=2 7872 B15R0.81 C=CCCCCCCCCOCC(=O)OC 7a_100011215194_100000747449 [0,2,0,0,0,0|0,0,0]=2 7873 B15R0.81 C=CCCCCCCCCOCC(C)OC 34a_100000690652_100011933949 [0,2,0,0,0,0|1,0,1]=4 7874 B15R0.81 C=CCCCCCCCCSCC(=O)CC 62a_100000747405_100011933949 [0,2,0,0,0,0|1,0,0]=3 7875 B15R0.81 C=CCCCCCCCCSCC(=O)CC 62a_100011933949_100000747405 [0,2,0,0,0,0|1,0,0]=3 7876 B15R0.81 C=CCCCCCCCCSCC(=O)NC 62a_100000183359_100011933949 [0,2,0,0,0,0|1,0,0]=3 7877 B15R0.81 C=CCCCCCCCCSCC(=O)NC 62a_100011933949_100000183359 [0,2,0,0,0,0|1,0,0]=3 7878 B15R0.81 C=CCCCCCCCCSCC(=O)OC 62a_100000747449_100011933949 [0,2,0,0,0,0|0,0,0]=2 7879 B15R0.81 C=CCCCCCCCCSCC(=O)OC 62a_100011933949_100000747449 [0,2,0,0,0,0|0,0,0]=2 7880 B15R0.81 C=CCCCCCCCNCCC(=O)NC 2230a_100000738227_100012355270 [0,2,0,0,0,0|1,0,0]=3 7881 B15R0.81 C=CCCCCCCCNCCC(=O)NC 34a_100000738227_100012355270 [0,2,0,0,0,0|1,0,0]=3 7882 B15R0.81 C=CCCCCCCCOCCC(=O)NC 34a_100000730831_100012179268 [0,2,0,0,0,0|1,0,0]=3 7883 B15R0.81 C=CCCCCCCCOCCC(=O)NC 34a_100000754576_100012355270 [0,2,0,0,0,0|1,0,0]=3 7884 B15R0.81 C=CCCCCCCCOCCC(=O)NC 7a_100000730831_100000737683 [0,2,0,0,0,0|1,0,0]=3 7885 B15R0.81 C=CCCCCCCCOCCC(=O)OC 34a_100000730831_100000742370 [0,2,0,0,0,0|0,0,0]=2 7886 B15R0.81 C=CCCCCCCCOCCC(=O)OC 7a_100000730831_100000204255 [0,2,0,0,0,0|0,0,0]=2 7887 B15R0.81 C=CCCCCCCCOCCC(C)OC 7a_100000764861_100012355270 [0,2,0,0,0,0|1,0,1]=4 7888 B15R0.81 C=CCCCCCCCSCCC(=O)NC 62a_100000737683_100012355270 [0,2,0,0,0,0|1,0,0]=3 7889 B15R0.81 C=CCCCCCCCSCCC(=O)NC 62a_100012355270_100000737683 [0,2,0,0,0,0|1,0,0]=3 7890 B15R0.81 C=CCCCCCCCSCCC(=O)OC 62a_100000204255_100012355270 [0,2,0,0,0,0|0,0,0]=2 7891 B15R0.81 C=CCCCCCCCSCCC(=O)OC 62a_100012355270_100000204255 [0,2,0,0,0,0|0,0,0]=2 7892 B15R0.81 C=CCCCCCCCSCOC(=O)OC 62a_100012355270_100000139417 [0,2,0,0,0,0|0,0,0]=2 7893 B15R0.81 C=CCCCCCCNCCCC(=O)NC 2230a_100000740002_100011215473 [0,2,0,0,0,0|1,0,0]=3 7894 B15R0.81 C=CCCCCCCNCCCC(=O)NC 34a_100000740002_100011215473 [0,2,0,0,0,0|1,0,0]=3 7895 B15R0.81 C=CCCCCCCNCCNC(=O)C=C 2230a_114873766552_100011215473 [0,2,0,0,0,0|1,0,1]=4 7896 B15R0.81 C=CCCCCCCNCCNC(=O)CC 34a_100132302217_100011215473 [0,2,0,0,0,0|1,0,0]=3 7897 B15R0.81 C=CCCCCCCNCCNC(=O)NC 34a_100015205895_100011215473 [0,2,0,0,0,0|1,0,0]=3 7898 B15R0.81 C=CCCCCCCOC/C=C/C(=O)OC 34a_200011216477_100000742655 [0,2,0,0,0,0|0,0,1]=3 7899 B15R0.81 C=CCCCCCCOC/C=C/C(=O)OC 7a_200011216477_100000742655 [0,2,0,0,0,0|0,0,1]=3 7900 B15R0.81 C=CCCCCCCOCCCC(=O)NC 34a_200011216477_100000741757 [0,2,0,0,0,0|1,0,0]=3 7901 B15R0.81 C=CCCCCCCOCCCC(=O)NC 7a_200011216477_100000741757 [0,2,0,0,0,0|1,0,0]=3 7902 B15R0.81 C=CCCCCCCOCCCC(=O)NN 34a_100000211488_100011215473 [0,2,0,0,0,0|2,0,0]=4 7903 B15R0.81 C=CCCCCCCOCCCC(=O)OC 34a_200011216477_100000742333 [0,2,0,0,0,0|0,0,0]=2 7904 B15R0.81 C=CCCCCCCOCCCC(=O)OC 7a_200011216477_100011218270 [0,2,0,0,0,0|0,0,0]=2 7905 B15R0.81 C=CCCCCCCOCCNC(=O)C=C 34a_100011304386_100011215473 [0,2,0,0,0,0|1,0,1]=4 7906 B15R0.81 C=CCCCCCCOCCNC(=O)CC 34a_200000158885_100011215473 [0,2,0,0,0,0|1,0,0]=3 7907 B15R0.81 C=CCCCCCCOCCNC(=O)CC 7a_200000158885_100011215473 [0,2,0,0,0,0|1,0,0]=3 7908 B15R0.81 C=CCCCCCCOCCNC(=O)OC 34a_100000757965_100011215473 [0,2,0,0,0,0|0,0,0]=2 7909 B15R0.81 C=CCCCCCCOCCOC(=O)C=C 34a_200011216477_100009813456 [0,2,0,0,0,0|1,0,1]=4 7910 B15R0.81 C=CCCCCCCOCCOC(=O)C=C 7a_200011216477_100009813456 [0,2,0,0,0,0|1,0,1]=4 7911 B15R0.81 C=CCCCCCCOCCOC(=O)CC 7a_200000031056_100011215473 [0,2,0,0,0,0|1,0,0]=3 7912 B15R0.81 C=CCCCCCCOCCOC(=O)NC 34a_200011216477_200011997002 [0,2,0,0,0,0|1,0,0]=3 7913 B15R0.81 C=CCCCCCCOCCOC(=O)NC 7a_200011216477_200011997002 [0,2,0,0,0,0|1,0,0]=3 7914 B15R0.81 C=CCCCCCCOCCOC(=O)OC 34a_100010262106_100011215473 [0,2,0,0,0,0|0,0,0]=2 7915 B15R0.81 C=CCCCCCCSC/C=C/C(=O)OC 62a_100000742655_100011215473 [0,2,0,0,0,0|0,0,1]=3 7916 B15R0.81 C=CCCCCCCSC/C=C/C(=O)OC 62a_100011215473_100000742655 [0,2,0,0,0,0|0,0,1]=3 7917 B15R0.81 C=CCCCCCCSCCCC(=O)NC 62a_100000741757_100011215473 [0,2,0,0,0,0|1,0,0]=3 7918 B15R0.81 C=CCCCCCCSCCCC(=O)NC 62a_100011215473_100000741757 [0,2,0,0,0,0|1,0,0]=3 7919 B15R0.81 C=CCCCCCCSCCCC(=O)OC 62a_100011215473_100011218270 [0,2,0,0,0,0|0,0,0]=2 7920 B15R0.81 C=CCCCCCCSCCCC(=O)OC 62a_100011218270_100011215473 [0,2,0,0,0,0|0,0,0]=2 7921 B15R0.81 C=CCCCCCCSCCOC(=O)C=C 62a_100009813456_100011215473 [0,2,0,0,0,0|1,0,1]=4 7922 B15R0.81 C=CCCCCCCSCCOC(=O)C=C 62a_100011215473_100009813456 [0,2,0,0,0,0|1,0,1]=4 7923 B15R0.81 C=CCCCCCCSCCOC(=O)NC 62a_100011215473_200011997002 [0,2,0,0,0,0|1,0,0]=3 7924 B15R0.81 C=CCCCCCCSCCOC(=O)NC 62a_200011997002_100011215473 [0,2,0,0,0,0|1,0,0]=3 7925 B15R0.81 C=CCCCCCOCCCCC(=O)OC 34a_100000059025_100000700193 [0,2,0,0,0,0|0,0,0]=2 7926 B15R0.81 C=CCCCCCOCCCCC(=O)OC 34a_100011216702_100000204269 [0,2,0,0,0,0|0,0,0]=2 7927 B15R0.81 C=CCCCCCOCCCCC(=O)OC 7a_100000059025_100000700193 [0,2,0,0,0,0|0,0,0]=2 7928 B15R0.81 C=CCCCCCOCCCCC(=O)OC 7a_100011216702_100000204269 [0,2,0,0,0,0|0,0,0]=2 7929 B15R0.81 C=CCCCCCOCCOCC(=O)OC 34a_100011216702_100000090808 [0,2,0,0,0,0|0,0,0]=2 7930 B15R0.81 C=CCCCCCOCCOCC(=O)OC 7a_100011216702_100000090808 [0,2,0,0,0,0|0,0,0]=2 7931 B15R0.81 C=CCCCCCSCCCCC(=O)OC 62a_100000204269_100000700193 [0,2,0,0,0,0|0,0,0]=2 7932 B15R0.81 C=CCCCCCSCCCCC(=O)OC 62a_100000700193_100000204269 [0,2,0,0,0,0|0,0,0]=2 7933 B15R0.81 C=CCCCCCSCCOCC(=O)OC 62a_100000090808_100000700193 [0,2,0,0,0,0|0,0,0]=2 7934 B15R0.81 C=CCCCCCSCCOCC(=O)OC 62a_100000700193_100000090808 [0,2,0,0,0,0|0,0,0]=2 7935 B15R0.81 C=CCCCCNCCCCCC(=O)OC 2230a_100000703577_100009816466 [0,2,0,0,0,0|0,0,0]=2 7936 B15R0.81 C=CCCCCNCCCCCC(=O)OC 34a_100000703577_100009816466 [0,2,0,0,0,0|0,0,0]=2 7937 B15R0.81 C=CCCCCOCCCCCC(=O)OC 34a_100000074720_100011215482 [0,2,0,0,0,0|0,0,0]=2 7938 B15R0.81 C=CCCCCOCCCCCC(=O)OC 34a_100000766645_100009816466 [0,2,0,0,0,0|0,0,0]=2 7939 B15R0.81 C=CCCCCOCCCCCC(=O)OC 7a_100000074720_100011215482 [0,2,0,0,0,0|0,0,0]=2 7940 B15R0.81 C=CCCCCOCCCCCC(=O)OC 7a_100000766645_100009816466 [0,2,0,0,0,0|0,0,0]=2 7941 B15R0.81 C=CCCCCOCCCCNC(=O)C=C 34a_100014118770_100011215482 [0,2,0,0,0,0|1,0,1]=4 7942 B15R0.81 C=CCCCCSCCCCCC(=O)OC 62a_100009816466_100011215482 [0,2,0,0,0,0|0,0,0]=2 7943 B15R0.81 C=CCCCCSCCCCCC(=O)OC 62a_100011215482_100009816466 [0,2,0,0,0,0|0,0,0]=2 7944 B15R0.81 C=CCCCNCCCCCCC(=O)OC 2230a_100000700776_100009815986 [0,2,0,0,0,0|0,0,0]=2 7945 B15R0.81 C=CCCCNCCCCCCC(=O)OC 34a_100000700776_100009815986 [0,2,0,0,0,0|0,0,0]=2 7946 B15R0.81 C=CCCCOCCCCCCC(=O)OC 34a_100000758997_100009815986 [0,2,0,0,0,0|0,0,0]=2 7947 B15R0.81 C=CCCCOCCCCCCC(=O)OC 34a_100009863599_100000757094 [0,2,0,0,0,0|0,0,0]=2 7948 B15R0.81 C=CCCCOCCCCCCC(=O)OC 7a_100000758997_100009815986 [0,2,0,0,0,0|0,0,0]=2 7949 B15R0.81 C=CCCCOCCCCCCC(=O)OC 7a_100009863599_100000757094 [0,2,0,0,0,0|0,0,0]=2 7950 B15R0.81 C=CCCCOCCCCCOC(=O)C=C 7a_200011023508_100000757094 [0,2,0,0,0,0|1,0,1]=4 7951 B15R0.81 C=CCCCSCCCCCCC(=O)OC 62a_100009815986_100000757094 [0,2,0,0,0,0|0,0,0]=2 7952 B15R0.81 C=CCCCSCCCCCCC(=O)OC 62a_100011713584_100009815986 [0,2,0,0,0,0|0,0,0]=2 7953 B15R0.81 C=CCCNCCCCCCCC(=O)OC 2230a_100015191253_100010004213 [0,2,0,0,0,0|0,0,0]=2 7954 B15R0.81 C=CCCNCCCCCCOC(=O)C=C 2230a_100015191253_100009894100 [0,2,0,0,0,0|1,0,1]=4 7955 B15R0.81 C=CCCOCCCCCCCC(=O)OC 34a_100011022521_100000754431 [0,2,0,0,0,0|0,0,0]=2 7956 B15R0.81 C=CCCOCCCCCCCC(=O)OC 34a_100011205117_100010004213 [0,2,0,0,0,0|0,0,0]=2 7957 B15R0.81 C=CCCOCCCCCCCC(=O)OC 7a_100011022521_100000754431 [0,2,0,0,0,0|0,0,0]=2 7958 B15R0.81 C=CCCOCCCCCCOC(=O)C=C 34a_100011205117_100009894100 [0,2,0,0,0,0|1,0,1]=4 7959 B15R0.81 C=CCCOCCOCCOCC(=O)OC 34a_100011023656_100000754431 [0,2,0,0,0,0|1,0,0]=3 7960 B15R0.81 C=CCCOCCOCCOCC(=O)OC 7a_100011023656_100000754431 [0,2,0,0,0,0|1,0,0]=3 7961 B15R0.81 C=CCCSCCCCCCCC(=O)OC 62a_100000754431_100010004213 [0,2,0,0,0,0|0,0,0]=2 7962 B15R0.81 C=CCCSCCCCCCCC(=O)OC 62a_100010004213_100000754431 [0,2,0,0,0,0|0,0,0]=2 7963 B15R0.81 C=CCCSCCCCCCOC(=O)C=C 62a_100000754431_100009894100 [0,2,0,0,0,0|1,0,1]=4 7964 B15R0.81 C=CCCSCCCCCCOC(=O)C=C 62a_100009894100_100000754431 [0,2,0,0,0,0|1,0,1]=4 7965 B15R0.81 C=CCNCCCCCCCCC(=O)OC 2230a_100020586998_100010282707 [0,2,0,0,0,0|0,0,0]=2 7966 B15R0.81 C=CCOCCCCCCCCC(=O)OC 34a_100000035544_100015514636 [0,2,0,0,0,0|0,0,0]=2 7967 B15R0.81 C=CCOCCCCCCCCC(=O)OC 34a_200000210373_100010282707 [0,2,0,0,0,0|0,0,0]=2 7968 B15R0.81 C=CCOCCCCCCCCC(=O)OC 7a_100000035544_100015514636 [0,2,0,0,0,0|0,0,0]=2 7969 B15R0.81 C=CCOCCOCCCCCC(=O)OC 34a_100000037705_100009816466 [0,2,0,0,0,0|0,0,0]=2 7970 B15R0.81 C=CCOCCOCCCCCC(=O)OC 7a_100000037705_100009816466 [0,2,0,0,0,0|0,0,0]=2 7971 B15R0.81 C=CCOCCOCCOCCC(=O)NC 34a_100000065479_100012179268 [0,2,0,0,0,0|2,0,0]=4 7972 B15R0.81 C=CCOCCOCCOCCC(=O)NC 7a_100000065479_100000737683 [0,2,0,0,0,0|2,0,0]=4 7973 B15R0.81 C=CCOCCOCCOCCC(=O)OC 34a_100000065479_100000742370 [0,2,0,0,0,0|1,0,0]=3 7974 B15R0.81 C=CCOCCOCCOCCC(=O)OC 34a_100010982084_100015514636 [0,2,0,0,0,0|1,0,0]=3 7975 B15R0.81 C=CCOCCOCCOCCC(=O)OC 7a_100000065479_100000204255 [0,2,0,0,0,0|1,0,0]=3 7976 B15R0.81 C=CCOCCOCCOCCC(=O)OC 7a_100010982084_100015514636 [0,2,0,0,0,0|1,0,0]=3 7977 B15R0.81 C=CCSCCCCCCCCC(=O)OC 62a_100000210623_100010282707 [0,2,0,0,0,0|0,0,0]=2 7978 B15R0.81 C=CCSCCCCCCCCC(=O)OC 62a_100010282707_100000210623 [0,2,0,0,0,0|0,0,0]=2 7979 B15R0.81 C=COCCCCOCCCCC(=O)OC 34a_100000031558_100000204269 [0,2,0,0,0,0|0,0,0]=2 7980 B15R0.81 C=COCCCCOCCCCC(=O)OC 7a_100000031558_100000204269 [0,2,0,0,0,0|0,0,0]=2 7981 B15R0.81 C=COCCCCOCCOCC(=O)OC 34a_100000031558_100000090808 [0,2,0,0,0,0|1,0,0]=3 7982 B15R0.81 C=COCCCCOCCOCC(=O)OC 7a_100000031558_100000090808 [0,2,0,0,0,0|1,0,0]=3 7983 B15R0.81 C=COCCCNCCCCCC(=O)OC 2230a_100000210767_100009816466 [0,2,0,0,0,0|0,0,0]=2 7984 B15R0.81 C=COCCCNCCCCCC(=O)OC 34a_100000210767_100009816466 [0,2,0,0,0,0|0,0,0]=2 7985 B15R0.81 C=COCCOCCCCCCC(=O)OC 34a_100000033082_100009815986 [0,2,0,0,0,0|0,0,0]=2 7986 B15R0.81 C=COCCOCCCCCCC(=O)OC 34a_100009863599_100000039644 [0,2,0,0,0,0|0,0,0]=2 7987 B15R0.81 C=COCCOCCCCCCC(=O)OC 7a_100009863599_100000039644 [0,2,0,0,0,0|0,0,0]=2 7988 B15R0.81 C=COCCOCCOCCCC(=O)NC 34a_100000039918_100000741757 [0,2,0,0,0,0|2,0,0]=4 7989 B15R0.81 C=COCCOCCOCCCC(=O)NC 7a_100000039918_100000741757 [0,2,0,0,0,0|2,0,0]=4 7990 B15R0.81 C=COCCOCCOCCCC(=O)OC 34a_100000039918_100000742333 [0,2,0,0,0,0|1,0,0]=3 7991 B15R0.81 C=COCCOCCOCCCC(=O)OC 7a_100000039918_100011218270 [0,2,0,0,0,0|1,0,0]=3 7992 B15R0.81 C=COCCSCCCCCCC(=O)OC 62a_100000039644_100009815986 [0,2,0,0,0,0|0,0,0]=2 7993 B15R0.81 C=COCCSCCCCCCC(=O)OC 62a_100009815986_100000039644 [0,2,0,0,0,0|0,0,0]=2 7994 B15R0.81 CC#CCCOCCCCCCC(=O)OC 34a_100000750427_100009815986 [0,2,0,0,0,0|0,0,2]=4 7995 B15R0.81 CC#CCNCCCCCCCC(=O)OC 2230a_100000685387_100010004213 [0,2,0,0,0,0|0,0,2]=4 7996 B15R0.81 CC#CCNCCCCCCCC(=O)OC 34a_100000685387_100010004213 [0,2,0,0,0,0|0,0,2]=4 7997 B15R0.81 CC#CCOCCCCCCCC(=O)OC 34a_100000761923_100010004213 [0,2,0,0,0,0|0,0,2]=4 7998 B15R0.81 CC#CCOCCCCCCCC(=O)OC 34a_100011022521_100000748600 [0,2,0,0,0,0|0,0,2]=4 7999 B15R0.81 CC#CCOCCCCCCCC(=O)OC 7a_100011022521_100000748600 [0,2,0,0,0,0|0,0,2]=4 8000 B15R0.81 CC#CCSCCCCCCCC(=O)OC 62a_100000748600_100010004213 [0,2,0,0,0,0|0,0,2]=4 8001 B15R0.81 CC#CCSCCCCCCCC(=O)OC 62a_100010004213_100000748600 [0,2,0,0,0,0|0,0,2]=4 8002 B15R0.81 CC/C=C/CCCOCCCCC(=O)OC 34a_100016287902_100000204269 [0,2,0,0,0,0|1,0,0]=3 8003 B15R0.81 CC/C=C/CCCOCCCCC(=O)OC 7a_100016287902_100000204269 [0,2,0,0,0,0|1,0,0]=3 8004 B15R0.81 CC/C=C/CCCOCCOCC(=O)OC 34a_100016287902_100000090808 [0,2,0,0,0,0|2,0,0]=4 8005 B15R0.81 CC/C=C/CCCOCCOCC(=O)OC 7a_100016287902_100000090808 [0,2,0,0,0,0|2,0,0]=4 8006 B15R0.81 CC/C=C\CCCCCNCCC(=O)NC 269862a_100000738227_100016288537 [0,2,0,0,0,0|2,0,0]=4 8007 B15R0.81 CC/C=C\CCCCCOCCC(=O)NC 34a_100016268722_100012179268 [0,2,0,0,0,0|2,0,0]=4 8008 B15R0.81 CC/C=C\CCCCCOCCC(=O)NC 7a_100016268722_100000737683 [0,2,0,0,0,0|2,0,0]=4 8009 B15R0.81 CC/C=C\CCCCCOCCC(=O)OC 34a_100016268722_100000742370 [0,2,0,0,0,0|1,0,0]=3 8010 B15R0.81 CC/C=C\CCCCCOCCC(=O)OC 7a_100016268722_100000204255 [0,2,0,0,0,0|1,0,0]=3 8011 B15R0.81 CC/C=C\CCCCOCCCC(=O)NC 34a_100016287862_100000741757 [0,2,0,0,0,0|2,0,0]=4 8012 B15R0.81 CC/C=C\CCCCOCCCC(=O)NC 7a_100016287862_100000741757 [0,2,0,0,0,0|2,0,0]=4 8013 B15R0.81 CC/C=C\CCCCOCCCC(=O)OC 34a_100016287862_100000742333 [0,2,0,0,0,0|1,0,0]=3 8014 B15R0.81 CC/C=C\CCCCOCCCC(=O)OC 7a_100016287862_100011218270 [0,2,0,0,0,0|1,0,0]=3 8015 B15R0.81 CC/C=C\CCOCCCCCC(=O)OC 34a_100000074720_100015370543 [0,2,0,0,0,0|1,0,0]=3 8016 B15R0.81 CC/C=C\CCOCCCCCC(=O)OC 34a_100016288707_100009816466 [0,2,0,0,0,0|1,0,0]=3 8017 B15R0.81 CC/C=C\CCOCCCCCC(=O)OC 7a_100000074720_100015370543 [0,2,0,0,0,0|1,0,0]=3 8018 B15R0.81 CC/C=C\CCOCCCCCC(=O)OC 7a_100016288707_100009816466 [0,2,0,0,0,0|1,0,0]=3 8019 B15R0.81 CC/C=C\CCSCCCCCC(=O)OC 62a_100009816466_100015370543 [0,2,0,0,0,0|1,0,0]=3 8020 B15R0.81 CC/C=C\CCSCCCCCC(=O)OC 62a_100015370543_100009816466 [0,2,0,0,0,0|1,0,0]=3 8021 B15R0.81 CC/C=C\COCCCCCCC(=O)OC 34a_100009863599_100103147603 [0,2,0,0,0,0|1,0,0]=3 8022 B15R0.81 CC/C=C\COCCCCCCC(=O)OC 34a_100016268518_100009815986 [0,2,0,0,0,0|1,0,0]=3 8023 B15R0.81 CC/C=C\COCCCCCCC(=O)OC 7a_100009863599_100103147603 [0,2,0,0,0,0|1,0,0]=3 8024 B15R0.81 CC/C=C\CSCCCCCCC(=O)OC 62a_100009815986_100103147603 [0,2,0,0,0,0|1,0,0]=3 8025 B15R0.81 CC/C=C\CSCCCCCCC(=O)OC 62a_100103147603_100009815986 [0,2,0,0,0,0|1,0,0]=3 8026 B15R0.81 CC=C=CCCOCCCCCC(=O)OC 34a_100011020354_100009816466 [0,2,0,0,0,0|1,0,0]=3 8027 B15R0.81 CC=CCCCOCCCCCC(=O)OC 34a_100020645299_100009816466 [0,2,0,0,0,0|0,0,0]=2 8028 B15R0.81 CC=CCOCCCCCCCC(=O)OC 34a_100011022521_100000070051 [0,2,0,0,0,0|0,0,0]=2 8029 B15R0.81 CC=CCOCCCCCCCC(=O)OC 7a_100011022521_100000070051 [0,2,0,0,0,0|0,0,0]=2 8030 B15R0.81 CC=CCOCCOCCOCC(=O)OC 34a_100011023656_100000070051 [0,2,0,0,0,0|2,0,0]=4 8031 B15R0.81 CC=CCOCCOCCOCC(=O)OC 7a_100011023656_100000070051 [0,2,0,0,0,0|2,0,0]=4 8032 B15R0.81 CC=CCSCCCCCCCC(=O)OC 62a_100000070051_100010004213 [0,2,0,0,0,0|0,0,0]=2 8033 B15R0.81 CC=CCSCCCCCCCC(=O)OC 62a_100010004213_100000070051 [0,2,0,0,0,0|0,0,0]=2 8034 B15R0.81 CCCCCCCCCCNCC(=O)OC 2230a_100000684558_100000747449 [0,2,0,0,0,0|0,0,2]=4 8035 B15R0.81 CCCCCCCCCCNCC(=O)OC 34a_100000684558_100000747449 [0,2,0,0,0,0|0,0,2]=4 8036 B15R0.81 CCCCCCCCCCOCC(=O)OC 34a_100000210711_100000747449 [0,2,0,0,0,0|0,0,2]=4 8037 B15R0.81 CCCCCCCCCCOCC(=O)OC 7a_100000210711_100000747449 [0,2,0,0,0,0|0,0,2]=4 8038 B15R0.81 CCCCCCCCCCSCC(=O)OC 62a_100000747449_100000210320 [0,2,0,0,0,0|0,0,2]=4 8039 B15R0.81 CCCCCCCCCNCCC(=O)OC 2230a_100000212291_100000204255 [0,2,0,0,0,0|0,0,2]=4 8040 B15R0.81 CCCCCCCCCNCCC(=O)OC 34a_100000212291_100000742370 [0,2,0,0,0,0|0,0,2]=4 8041 B15R0.81 CCCCCCCCCOCCC(=O)OC 34a_100000210712_100000742370 [0,2,0,0,0,0|0,0,2]=4 8042 B15R0.81 CCCCCCCCCOCCC(=O)OC 7a_100000210712_100000204255 [0,2,0,0,0,0|0,0,2]=4 8043 B15R0.81 CCCCCCCCCSCCC(=O)OC 62a_100000204255_100000210670 [0,2,0,0,0,0|0,0,2]=4 8044 B15R0.81 CCCCCCCCNCCCC(=O)OC 2230a_100000229939_100011218270 [0,2,0,0,0,0|0,0,2]=4 8045 B15R0.81 CCCCCCCCNCCCC(=O)OC 34a_100000229939_100000742333 [0,2,0,0,0,0|0,0,2]=4 8046 B15R0.81 CCCCCCCCOCCCC(=O)OC 34a_100000210232_100000742333 [0,2,0,0,0,0|0,0,2]=4 8047 B15R0.81 CCCCCCCCOCCCC(=O)OC 7a_100000210232_100011218270 [0,2,0,0,0,0|0,0,2]=4 8048 B15R0.81 CCCCCCCCOCCNC(=O)OC 34a_100000757965_100000210759 [0,2,0,0,0,0|0,0,2]=4 8049 B15R0.81 CCCCCCCCOCCOC(=O)OC 34a_100010262106_100000210759 [0,2,0,0,0,0|0,0,2]=4 8050 B15R0.81 CCCCCCCCSCCCC(=O)OC 62a_100000210759_100011218270 [0,2,0,0,0,0|0,0,2]=4 8051 B15R0.81 CCCCCCCCSCCCC(=O)OC 62a_100011218270_100000210317 [0,2,0,0,0,0|0,0,2]=4 8052 B15R0.81 CCCCCCCNCCCCC(=O)OC 2230a_100000229938_100000204269 [0,2,0,0,0,0|0,0,2]=4 8053 B15R0.81 CCCCCCCNCCOCC(=O)OC 2230a_100000229938_100000090808 [0,2,0,0,0,0|0,0,2]=4 8054 B15R0.81 CCCCCCCOCCCCC(=O)OC 34a_100000059025_100000210614 [0,2,0,0,0,0|0,0,2]=4 8055 B15R0.81 CCCCCCCOCCCCC(=O)OC 34a_100000210272_100000204269 [0,2,0,0,0,0|0,0,2]=4 8056 B15R0.81 CCCCCCCOCCCCC(=O)OC 7a_100000059025_100000210614 [0,2,0,0,0,0|0,0,2]=4 8057 B15R0.81 CCCCCCCOCCCCC(=O)OC 7a_100000210272_100000204269 [0,2,0,0,0,0|0,0,2]=4 8058 B15R0.81 CCCCCCCOCCOCC(=O)OC 34a_100000210272_100000090808 [0,2,0,0,0,0|0,0,2]=4 8059 B15R0.81 CCCCCCCOCCOCC(=O)OC 7a_100000210272_100000090808 [0,2,0,0,0,0|0,0,2]=4 8060 B15R0.81 CCCCCCCSCCCCC(=O)OC 62a_100000204269_100000210316 [0,2,0,0,0,0|0,0,2]=4 8061 B15R0.81 CCCCCCCSCCCCC(=O)OC 62a_100000210614_100000204269 [0,2,0,0,0,0|0,0,2]=4 8062 B15R0.81 CCCCCCCSCCOCC(=O)OC 62a_100000090808_100000210316 [0,2,0,0,0,0|0,0,2]=4 8063 B15R0.81 CCCCCCCSCCOCC(=O)OC 62a_100000210614_100000090808 [0,2,0,0,0,0|0,0,2]=4 8064 B15R0.81 CCCCCCNCCCCCC(=O)OC 2230a_100000210581_100009816466 [0,2,0,0,0,0|0,0,2]=4 8065 B15R0.81 CCCCCCOCCCCCC(=O)OC 34a_100000074720_100000210314 [0,2,0,0,0,0|0,0,2]=4 8066 B15R0.81 CCCCCCOCCCCCC(=O)OC 34a_100000210259_100009816466 [0,2,0,0,0,0|0,0,2]=4 8067 B15R0.81 CCCCCCOCCCCCC(=O)OC 7a_100000074720_100000210314 [0,2,0,0,0,0|0,0,2]=4 8068 B15R0.81 CCCCCCOCCCCCC(=O)OC 7a_100000210259_100009816466 [0,2,0,0,0,0|0,0,2]=4 8069 B15R0.81 CCCCCCOCCOCCC(=O)OC 34a_100000691444_100000742370 [0,2,0,0,0,0|0,0,2]=4 8070 B15R0.81 CCCCCCOCCOCCC(=O)OC 7a_100000691444_100000204255 [0,2,0,0,0,0|0,0,2]=4 8071 B15R0.81 CCCCCCSCCCCCC(=O)OC 62a_100000210314_100009816466 [0,2,0,0,0,0|0,0,2]=4 8072 B15R0.81 CCCCCCSCCCCCC(=O)OC 62a_100009816466_100000210757 [0,2,0,0,0,0|0,0,2]=4 8073 B15R0.81 CCCCCNCCCCCCC(=O)OC 2230a_100000209983_100009815986 [0,2,0,0,0,0|0,0,2]=4 8074 B15R0.81 CCCCCNCCOCCCC(=O)OC 34a_100000224656_100000742333 [0,2,0,0,0,0|0,0,2]=4 8075 B15R0.81 CCCCCOCCCCCCC(=O)OC 34a_100000210253_100009815986 [0,2,0,0,0,0|0,0,2]=4 8076 B15R0.81 CCCCCOCCCCCCC(=O)OC 34a_100009863599_100000718602 [0,2,0,0,0,0|0,0,2]=4 8077 B15R0.81 CCCCCOCCCCCCC(=O)OC 7a_100000210253_100009815986 [0,2,0,0,0,0|0,0,2]=4 8078 B15R0.81 CCCCCOCCCCCCC(=O)OC 7a_100009863599_100000210326 [0,2,0,0,0,0|0,0,2]=4 8079 B15R0.81 CCCCCOCCOCCCC(=O)OC 34a_100011215259_100000742333 [0,2,0,0,0,0|0,0,2]=4 8080 B15R0.81 CCCCCOCCOCCCC(=O)OC 7a_100011215259_100011218270 [0,2,0,0,0,0|0,0,2]=4 8081 B15R0.81 CCCCCSCCCCCCC(=O)OC 62a_100000210326_100009815986 [0,2,0,0,0,0|0,0,2]=4 8082 B15R0.81 CCCCCSCCCCCCC(=O)OC 62a_100009815986_100000210326 [0,2,0,0,0,0|0,0,2]=4 8083 B15R0.81 CCCCNCCCCCCCC(=O)OC 2230a_100000102301_100010004213 [0,2,0,0,0,0|0,0,2]=4 8084 B15R0.81 CCCCNCCCCCCCC(=O)OC 7a_106832991798_100010004213 [0,2,0,0,0,0|0,0,2]=4 8085 B15R0.81 CCCCNCCCCOCCC(=O)OC 34a_200011216965_100000742370 [0,2,0,0,0,0|0,0,2]=4 8086 B15R0.81 CCCCOCCCCCCCC(=O)OC 34a_100000210227_100010004213 [0,2,0,0,0,0|0,0,2]=4 8087 B15R0.81 CCCCOCCCCCCCC(=O)OC 34a_100011022521_100000210210 [0,2,0,0,0,0|0,0,2]=4 8088 B15R0.81 CCCCOCCCCCCCC(=O)OC 7a_100000210227_100010004213 [0,2,0,0,0,0|0,0,2]=4 8089 B15R0.81 CCCCOCCCCCCCC(=O)OC 7a_100011022521_100000210211 [0,2,0,0,0,0|0,0,2]=4 8090 B15R0.81 CCCCOCCCCOCCC(=O)OC 34a_200000760531_100000742370 [0,2,0,0,0,0|0,0,2]=4 8091 B15R0.81 CCCCOCCCCOCCC(=O)OC 7a_200000760531_100000204255 [0,2,0,0,0,0|0,0,2]=4 8092 B15R0.81 CCCCOCCCNCCCC(=O)OC 2230a_200000211371_100011218270 [0,2,0,0,0,0|0,0,2]=4 8093 B15R0.81 CCCCOCCCNCCCC(=O)OC 34a_200000211371_100000742333 [0,2,0,0,0,0|0,0,2]=4 8094 B15R0.81 CCCCOCCCOCCCC(=O)OC 34a_200011215613_100000742333 [0,2,0,0,0,0|0,0,2]=4 8095 B15R0.81 CCCCOCCCOCCCC(=O)OC 7a_200011215613_100011218270 [0,2,0,0,0,0|0,0,2]=4 8096 B15R0.81 CCCCOCCOCCCCC(=O)OC 34a_100000059025_100000743108 [0,2,0,0,0,0|0,0,2]=4 8097 B15R0.81 CCCCOCCOCCCCC(=O)OC 34a_100000210238_100000204269 [0,2,0,0,0,0|0,0,2]=4 8098 B15R0.81 CCCCOCCOCCCCC(=O)OC 7a_100000059025_100000743108 [0,2,0,0,0,0|0,0,2]=4 8099 B15R0.81 CCCCOCCOCCCCC(=O)OC 7a_100000210238_100000204269 [0,2,0,0,0,0|0,0,2]=4 8100 B15R0.81 CCCCOCCSCCCCC(=O)OC 62a_100000204269_100000743108 [0,2,0,0,0,0|0,0,2]=4 8101 B15R0.81 CCCCOCCSCCCCC(=O)OC 62a_100000743108_100000204269 [0,2,0,0,0,0|0,0,2]=4 8102 B15R0.81 CCCCOCOCCCCCC(=O)OC 34a_100000074720_100011995733 [0,2,0,0,0,0|0,0,2]=4 8103 B15R0.81 CCCCOCSCCCCCC(=O)OC 62a_100009816466_100011995733 [0,2,0,0,0,0|0,0,2]=4 8104 B15R0.81 CCCCOCSCCCCCC(=O)OC 62a_100011995733_100009816466 [0,2,0,0,0,0|0,0,2]=4 8105 B15R0.81 CCCCSCCCCCCCC(=O)OC 62a_100000210211_100010004213 [0,2,0,0,0,0|0,0,2]=4 8106 B15R0.81 CCCCSCCCCCCCC(=O)OC 62a_100010004213_100000210210 [0,2,0,0,0,0|0,0,2]=4 8107 B15R0.81 CCCCSCCNCCCCC(=O)OC 2230a_100025743550_100000204269 [0,2,0,0,0,0|0,0,2]=4 8108 B15R0.81 CCCCSCCOCCCCC(=O)OC 34a_200000230436_100000204269 [0,2,0,0,0,0|0,0,2]=4 8109 B15R0.81 CCCCSCCOCCCCC(=O)OC 7a_200000230436_100000204269 [0,2,0,0,0,0|0,0,2]=4 8110 B15R0.81 CCCOCCCCCCCCC(=O)OC 34a_100000035544_100000210303 [0,2,0,0,0,0|0,0,2]=4 8111 B15R0.81 CCCOCCCCCCCCC(=O)OC 34a_100000210258_100010282707 [0,2,0,0,0,0|0,0,2]=4 8112 B15R0.81 CCCOCCCCCCCCC(=O)OC 7a_100000035544_100000210303 [0,2,0,0,0,0|0,0,2]=4 8113 B15R0.81 CCCOCCCNCCCCC(=O)OC 2230a_100011217757_100000204269 [0,2,0,0,0,0|0,0,2]=4 8114 B15R0.81 CCCOCCCNCCCCC(=O)OC 34a_100011217757_100000204269 [0,2,0,0,0,0|0,0,2]=4 8115 B15R0.81 CCCOCCNCCCCCC(=O)OC 2230a_100161115042_100009816466 [0,2,0,0,0,0|0,0,2]=4 8116 B15R0.81 CCCOCCNCCCCCC(=O)OC 34a_100161115042_100009816466 [0,2,0,0,0,0|0,0,2]=4 8117 B15R0.81 CCCOCCOCCCCCC(=O)OC 34a_100000074720_100011215938 [0,2,0,0,0,0|0,0,2]=4 8118 B15R0.81 CCCOCCOCCCCCC(=O)OC 34a_100000752267_100009816466 [0,2,0,0,0,0|0,0,2]=4 8119 B15R0.81 CCCOCCOCCCCCC(=O)OC 7a_100000074720_100011215938 [0,2,0,0,0,0|0,0,2]=4 8120 B15R0.81 CCCOCCOCCCCCC(=O)OC 7a_100000752267_100009816466 [0,2,0,0,0,0|0,0,2]=4 8121 B15R0.81 CCCOCCSCCCCCC(=O)OC 62a_100009816466_100011215938 [0,2,0,0,0,0|0,0,2]=4 8122 B15R0.81 CCCOCCSCCCCCC(=O)OC 62a_100011215938_100009816466 [0,2,0,0,0,0|0,0,2]=4 8123 B15R0.81 CCCSCCCCCCCCC(=O)OC 62a_100000210303_100010282707 [0,2,0,0,0,0|0,0,2]=4 8124 B15R0.81 CCCSCCCCCCCCC(=O)OC 62a_100010282707_100000210303 [0,2,0,0,0,0|0,0,2]=4 8125 B15R0.81 CCCSCCNCCCCCC(=O)OC 2230a_100020603323_100009816466 [0,2,0,0,0,0|0,0,2]=4 8126 B15R0.81 CCCSCCOCCCCCC(=O)OC 34a_200000230433_100009816466 [0,2,0,0,0,0|0,0,2]=4 8127 B15R0.81 CCCSCCOCCCCCC(=O)OC 7a_200000230433_100009816466 [0,2,0,0,0,0|0,0,2]=4 8128 B15R0.81 CCNCCCCCCCCCC(=O)OC 2230a_100015525214_100009813843 [0,2,0,0,0,0|0,0,2]=4 8129 B15R0.81 CCOCCCCCCCCCC(=O)OC 34a_100121572206_100009813843 [0,2,0,0,0,0|0,0,2]=4 8130 B15R0.81 CCOCCCNCCCCCC(=O)OC 2230a_100000210961_100009816466 [0,2,0,0,0,0|0,0,2]=4 8131 B15R0.81 CCOCCCNCCCCCC(=O)OC 34a_100000210961_100009816466 [0,2,0,0,0,0|0,0,2]=4 8132 B15R0.81 CCOCCCOCCCCCC(=O)OC 34a_100000074720_100012232248 [0,2,0,0,0,0|0,0,2]=4 8133 B15R0.81 CCOCCCOCCCCCC(=O)OC 34a_100000757476_100009816466 [0,2,0,0,0,0|0,0,2]=4 8134 B15R0.81 CCOCCCOCCCCCC(=O)OC 7a_100000074720_100012232248 [0,2,0,0,0,0|0,0,2]=4 8135 B15R0.81 CCOCCCOCCCCCC(=O)OC 7a_100000757476_100009816466 [0,2,0,0,0,0|0,0,2]=4 8136 B15R0.81 CCOCCCSCCCCCC(=O)OC 62a_100009816466_100012232248 [0,2,0,0,0,0|0,0,2]=4 8137 B15R0.81 CCOCCCSCCCCCC(=O)OC 62a_100012232248_100009816466 [0,2,0,0,0,0|0,0,2]=4 8138 B15R0.81 CCOCCNCCCCCCC(=O)OC 2230a_102516460346_100009815986 [0,2,0,0,0,0|0,0,2]=4 8139 B15R0.81 CCOCCNCCCCCCC(=O)OC 34a_102516460346_100009815986 [0,2,0,0,0,0|0,0,2]=4 8140 B15R0.81 CCOCCOCCCCCCC(=O)OC 34a_100000210136_100009815986 [0,2,0,0,0,0|0,0,2]=4 8141 B15R0.81 CCOCCOCCCCCCC(=O)OC 34a_100009863599_100000210147 [0,2,0,0,0,0|0,0,2]=4 8142 B15R0.81 CCOCCOCCCCCCC(=O)OC 7a_100000210136_100009815986 [0,2,0,0,0,0|0,0,2]=4 8143 B15R0.81 CCOCCOCCCCCCC(=O)OC 7a_100009863599_100011215890 [0,2,0,0,0,0|0,0,2]=4 8144 B15R0.81 CCOCCSCCCCCCC(=O)OC 62a_100000210147_100009815986 [0,2,0,0,0,0|0,0,2]=4 8145 B15R0.81 CCOCCSCCCCCCC(=O)OC 62a_100009815986_100011215890 [0,2,0,0,0,0|0,0,2]=4 8146 B15R0.81 CCOCSCCCCCCCC(=O)OC 62a_100000739092_100010004213 [0,2,0,0,0,0|0,0,2]=4 8147 B15R0.81 CCOCSCCCCCCCC(=O)OC 62a_100010004213_100000739092 [0,2,0,0,0,0|0,0,2]=4 8148 B15R0.81 CCSCCCCCCCCCC(=O)OC 62a_100000210202_100009813843 [0,2,0,0,0,0|0,0,2]=4 8149 B15R0.81 CCSCCCOCCCCCC(=O)OC 34a_100011216438_100009816466 [0,2,0,0,0,0|0,0,2]=4 8150 B15R0.81 CCSCCCOCCCCCC(=O)OC 7a_100011216438_100009816466 [0,2,0,0,0,0|0,0,2]=4 8151 B15R0.81 CCSCCNCCCCCCC(=O)OC 2230a_100000106463_100009815986 [0,2,0,0,0,0|0,0,2]=4 8152 B15R0.81 CCSCCOCCCCCCC(=O)OC 34a_100000212035_100009815986 [0,2,0,0,0,0|0,0,2]=4 8153 B15R0.81 CCSCCOCCCCCCC(=O)OC 34a_100009863599_100000757381 [0,2,0,0,0,0|0,0,2]=4 8154 B15R0.81 CCSCCOCCCCCCC(=O)OC 7a_100000212035_100009815986 [0,2,0,0,0,0|0,0,2]=4 8155 B15R0.81 CCSCCOCCCCCCC(=O)OC 7a_100009863599_100000757381 [0,2,0,0,0,0|0,0,2]=4 8156 B15R0.81 CCSCCSCCCCCCC(=O)OC 62a_100000757381_100009815986 [0,2,0,0,0,0|0,0,2]=4 8157 B15R0.81 CCSCCSCCCCCCC(=O)OC 62a_100009815986_100000757381 [0,2,0,0,0,0|0,0,2]=4 8158 B15R0.81 CNCCCCCCCCCCC(=O)OC 2230a_106832991635_100009812566 [0,2,0,0,0,0|0,0,2]=4 8159 B15R0.81 CNCCCCCCCCCCC(=O)OC 34a_100102657272_100009812566 [0,2,0,0,0,0|0,0,2]=4 8160 B15R0.81 CNCCCCCCCCCCC(=O)OC 7a_106832991635_100009812566 [0,2,0,0,0,0|0,0,2]=4 8161 B15R0.81 CNCCCCCOCCCCC(=O)OC 34a_100000722520_100000204269 [0,2,0,0,0,0|0,0,2]=4 8162 B15R0.81 CNCCCCCOCCOCC(=O)OC 34a_100000722520_100000090808 [0,2,0,0,0,0|1,0,1]=4 8163 B15R0.81 CNCCCOCCCCCCC(=O)OC 34a_100000213112_100009815986 [0,2,0,0,0,0|0,0,2]=4 8164 B15R0.81 CNCCOCCOCCCCC(=O)OC 34a_100000228057_100000204269 [0,2,0,0,0,0|1,0,1]=4 8165 B15R0.81 COC(=O)CCCCCCCCCCO[13CH3] 34a_100011003013_200025704644 [0,2,0,0,0,0|0,0,2]=4 8166 B15R0.81 COC(=O)CCCCCCCCCCO[13CH3] 7a_100011003013_200025704644 [0,2,0,0,0,0|0,0,2]=4 8167 B15R0.81 COC(=O)CCCCCCCCCCSC 62a_200000210301_100009812566 [0,2,0,0,0,0|0,0,2]=4 8168 B15R0.81 COC(=O)CCCCCCCCCCS[13CH3] 62a_200025704644_100009812566 [0,2,0,0,0,0|0,0,2]=4 8169 B15R0.81 COC(=O)CCCCCCCCCSCF 62a_100015361967_100009813843 [0,2,0,0,0,0|0,0,2]=4 8170 B15R0.81 COC(=O)CCCCCCCCNCCF 34a_100000724931_100010282707 [0,2,0,0,0,0|0,0,2]=4 8171 B15R0.81 COC(=O)CCCCCCCCNCCO 2230a_100016997473_100010282707 [0,2,0,0,0,0|0,0,2]=4 8172 B15R0.81 COC(=O)CCCCCCCCNCCO 34a_100016990907_100010282707 [0,2,0,0,0,0|0,0,2]=4 8173 B15R0.81 COC(=O)CCCCCCCCOCC#N 7a_100000035544_100011215382 [0,2,0,0,0,0|0,0,2]=4 8174 B15R0.81 COC(=O)CCCCCCCCOCC=O 34a_100000035544_200009817547 [0,2,0,0,0,0|0,0,1]=3 8175 B15R0.81 COC(=O)CCCCCCCCOCC=O 7a_100000035544_200015260668 [0,2,0,0,0,0|0,0,1]=3 8176 B15R0.81 COC(=O)CCCCCCCCOCCBr 34a_100000211926_100010282707 [0,2,0,0,0,0|0,0,2]=4 8177 B15R0.81 COC(=O)CCCCCCCCOCCF 34a_100000035544_100011217306 [0,2,0,0,0,0|0,0,2]=4 8178 B15R0.81 COC(=O)CCCCCCCCOCCF 7a_100000035544_100011217306 [0,2,0,0,0,0|0,0,2]=4 8179 B15R0.81 COC(=O)CCCCCCCCOCCN 34a_100000210304_100010282707 [0,2,0,0,0,0|0,0,2]=4 8180 B15R0.81 COC(=O)CCCCCCCCOCCO 34a_100000035544_100000211926 [0,2,0,0,0,0|0,0,2]=4 8181 B15R0.81 COC(=O)CCCCCCCCOCCO 7a_100000035544_100000211926 [0,2,0,0,0,0|0,0,2]=4 8182 B15R0.81 COC(=O)CCCCCCCCOCSC 34a_100000035544_100011218213 [0,2,0,0,0,0|0,0,2]=4 8183 B15R0.81 COC(=O)CCCCCCCCSCC#N 62a_100010282707_100011215382 [0,2,0,0,0,0|0,0,2]=4 8184 B15R0.81 COC(=O)CCCCCCCCSCC#N 62a_100011215382_100010282707 [0,2,0,0,0,0|0,0,2]=4 8185 B15R0.81 COC(=O)CCCCCCCCSCC=O 62a_100010282707_200015260668 [0,2,0,0,0,0|0,0,1]=3 8186 B15R0.81 COC(=O)CCCCCCCCSCC=O 62a_200015260668_100010282707 [0,2,0,0,0,0|0,0,1]=3 8187 B15R0.81 COC(=O)CCCCCCCCSCCF 62a_100010282707_100011217306 [0,2,0,0,0,0|0,0,2]=4 8188 B15R0.81 COC(=O)CCCCCCCCSCCF 62a_100011217306_100010282707 [0,2,0,0,0,0|0,0,2]=4 8189 B15R0.81 COC(=O)CCCCCCCCSCCO 62a_100000211926_100010282707 [0,2,0,0,0,0|0,0,2]=4 8190 B15R0.81 COC(=O)CCCCCCCCSCCO 62a_100010282707_100000211926 [0,2,0,0,0,0|0,0,2]=4 8191 B15R0.81 COC(=O)CCCCCCCCSCSC 62a_100010282707_100011218213 [0,2,0,0,0,0|0,0,2]=4 8192 B15R0.81 COC(=O)CCCCCCCCSCSC 62a_100011218213_100010282707 [0,2,0,0,0,0|0,0,2]=4 8193 B15R0.81 COC(=O)CCCCCCCNCCCF 2230a_100015189416_100010004213 [0,2,0,0,0,0|0,0,2]=4 8194 B15R0.81 COC(=O)CCCCCCCNCCCF 34a_100015189416_100010004213 [0,2,0,0,0,0|0,0,2]=4 8195 B15R0.81 COC(=O)CCCCCCCNCCSC 2230a_100020590264_100010004213 [0,2,0,0,0,0|0,0,2]=4 8196 B15R0.81 COC(=O)CCCCCCCOCCC#N 7a_100011022521_100000184422 [0,2,0,0,0,0|0,0,2]=4 8197 B15R0.81 COC(=O)CCCCCCCOCCCBr 34a_100011217188_100010004213 [0,2,0,0,0,0|0,0,2]=4 8198 B15R0.81 COC(=O)CCCCCCCOCCCCl 34a_100000230001_100010004213 [0,2,0,0,0,0|0,0,2]=4 8199 B15R0.81 COC(=O)CCCCCCCOCCCF 34a_100000759539_100010004213 [0,2,0,0,0,0|0,0,2]=4 8200 B15R0.81 COC(=O)CCCCCCCOCCCF 34a_100011022521_100011934791 [0,2,0,0,0,0|0,0,2]=4 8201 B15R0.81 COC(=O)CCCCCCCOCCCF 7a_100011022521_100011934791 [0,2,0,0,0,0|0,0,2]=4 8202 B15R0.81 COC(=O)CCCCCCCOCCCN 34a_100000182051_100010004213 [0,2,0,0,0,0|0,0,2]=4 8203 B15R0.81 COC(=O)CCCCCCCOCCCO 34a_100011022521_100000230001 [0,2,0,0,0,0|0,0,2]=4 8204 B15R0.81 COC(=O)CCCCCCCOCCCO 7a_100011022521_100011215043 [0,2,0,0,0,0|0,0,2]=4 8205 B15R0.81 COC(=O)CCCCCCCOCCON 34a_100000700252_100010004213 [0,2,0,0,0,0|1,0,1]=4 8206 B15R0.81 COC(=O)CCCCCCCOCCSC 34a_100000230434_100010004213 [0,2,0,0,0,0|0,0,2]=4 8207 B15R0.81 COC(=O)CCCCCCCOCCSC 34a_100011022521_100000212216 [0,2,0,0,0,0|0,0,2]=4 8208 B15R0.81 COC(=O)CCCCCCCOCCSC 7a_100000230434_100010004213 [0,2,0,0,0,0|0,0,2]=4 8209 B15R0.81 COC(=O)CCCCCCCOCCSC 7a_100011022521_100000212216 [0,2,0,0,0,0|0,0,2]=4 8210 B15R0.81 COC(=O)CCCCCCCSCCC#N 62a_100010004213_100011215226 [0,2,0,0,0,0|0,0,2]=4 8211 B15R0.81 COC(=O)CCCCCCCSCCC#N 62a_100011215226_100010004213 [0,2,0,0,0,0|0,0,2]=4 8212 B15R0.81 COC(=O)CCCCCCCSCCCF 62a_100010004213_100011934791 [0,2,0,0,0,0|0,0,2]=4 8213 B15R0.81 COC(=O)CCCCCCCSCCCF 62a_100011934791_100010004213 [0,2,0,0,0,0|0,0,2]=4 8214 B15R0.81 COC(=O)CCCCCCCSCCCO 62a_100010004213_100011215043 [0,2,0,0,0,0|0,0,2]=4 8215 B15R0.81 COC(=O)CCCCCCCSCCCO 62a_100011215043_100010004213 [0,2,0,0,0,0|0,0,2]=4 8216 B15R0.81 COC(=O)CCCCCCCSCCSC 62a_100000212216_100010004213 [0,2,0,0,0,0|0,0,2]=4 8217 B15R0.81 COC(=O)CCCCCCCSCCSC 62a_100010004213_100000751147 [0,2,0,0,0,0|0,0,2]=4 8218 B15R0.81 COC(=O)CCCCCCCSCSC#N 62a_100000211825_100010004213 [0,2,0,0,0,0|1,0,1]=4 8219 B15R0.81 COC(=O)CCCCCCCSCSC#N 62a_100010004213_100000211825 [0,2,0,0,0,0|1,0,1]=4 8220 B15R0.81 COC(=O)CCCCCCNCCCCO 2230a_100000750430_100009815986 [0,2,0,0,0,0|0,0,2]=4 8221 B15R0.81 COC(=O)CCCCCCNCCCCO 34a_100000750430_100009815986 [0,2,0,0,0,0|0,0,2]=4 8222 B15R0.81 COC(=O)CCCCCCNCCCSC 2230a_100000749238_100009815986 [0,2,0,0,0,0|0,0,2]=4 8223 B15R0.81 COC(=O)CCCCCCOCCCC#N 7a_100009863599_100000687738 [0,2,0,0,0,0|0,0,2]=4 8224 B15R0.81 COC(=O)CCCCCCOCCCC=O 7a_100009863599_200011292268 [0,2,0,0,0,0|0,0,1]=3 8225 B15R0.81 COC(=O)CCCCCCOCCCCBr 34a_100011216708_100009815986 [0,2,0,0,0,0|0,0,2]=4 8226 B15R0.81 COC(=O)CCCCCCOCCCCCl 34a_100000210776_100009815986 [0,2,0,0,0,0|0,0,2]=4 8227 B15R0.81 COC(=O)CCCCCCOCCCCCl 7a_100000210776_100009815986 [0,2,0,0,0,0|0,0,2]=4 8228 B15R0.81 COC(=O)CCCCCCOCCCCF 34a_100009863599_100000729493 [0,2,0,0,0,0|0,0,2]=4 8229 B15R0.81 COC(=O)CCCCCCOCCCCF 34a_100011995726_100009815986 [0,2,0,0,0,0|0,0,2]=4 8230 B15R0.81 COC(=O)CCCCCCOCCCCF 7a_100009863599_100000729493 [0,2,0,0,0,0|0,0,2]=4 8231 B15R0.81 COC(=O)CCCCCCOCCCCF 7a_100011995726_100009815986 [0,2,0,0,0,0|0,0,2]=4 8232 B15R0.81 COC(=O)CCCCCCOCCCCI 34a_200012148704_100009815986 [0,2,0,0,0,0|0,0,2]=4 8233 B15R0.81 COC(=O)CCCCCCOCCCCN 34a_100000750430_100009815986 [0,2,0,0,0,0|0,0,2]=4 8234 B15R0.81 COC(=O)CCCCCCOCCCCO 34a_100009863599_100011216708 [0,2,0,0,0,0|0,0,2]=4 8235 B15R0.81 COC(=O)CCCCCCOCCCCO 7a_100009863599_100000210776 [0,2,0,0,0,0|0,0,2]=4 8236 B15R0.81 COC(=O)CCCCCCOCCCSC 34a_100000690336_100009815986 [0,2,0,0,0,0|0,0,2]=4 8237 B15R0.81 COC(=O)CCCCCCOCCCSC 7a_100000690336_100009815986 [0,2,0,0,0,0|0,0,2]=4 8238 B15R0.81 COC(=O)CCCCCCSCCCC#N 62a_100000687738_100009815986 [0,2,0,0,0,0|0,0,2]=4 8239 B15R0.81 COC(=O)CCCCCCSCCCC#N 62a_100009815986_100000687738 [0,2,0,0,0,0|0,0,2]=4 8240 B15R0.81 COC(=O)CCCCCCSCCCC=O 62a_100009815986_200011292268 [0,2,0,0,0,0|0,0,1]=3 8241 B15R0.81 COC(=O)CCCCCCSCCCC=O 62a_200011292268_100009815986 [0,2,0,0,0,0|0,0,1]=3 8242 B15R0.81 COC(=O)CCCCCCSCCCCF 62a_100000729493_100009815986 [0,2,0,0,0,0|0,0,2]=4 8243 B15R0.81 COC(=O)CCCCCCSCCCCF 62a_100009815986_100000729493 [0,2,0,0,0,0|0,0,2]=4 8244 B15R0.81 COC(=O)CCCCCCSCCCCO 62a_100000210776_100009815986 [0,2,0,0,0,0|0,0,2]=4 8245 B15R0.81 COC(=O)CCCCCCSCCCCO 62a_100009815986_100000210776 [0,2,0,0,0,0|0,0,2]=4 8246 B15R0.81 COC(=O)CCCCCCSCCSC#N 62a_100000034367_100009815986 [0,2,0,0,0,0|1,0,1]=4 8247 B15R0.81 COC(=O)CCCCCCSCCSC#N 62a_100009815986_100000034367 [0,2,0,0,0,0|1,0,1]=4 8248 B15R0.81 COC(=O)CCCCCNCCCCCO 2230a_100000762737_100009816466 [0,2,0,0,0,0|0,0,2]=4 8249 B15R0.81 COC(=O)CCCCCNCCCCCO 34a_100000762737_100009816466 [0,2,0,0,0,0|0,0,2]=4 8250 B15R0.81 COC(=O)CCCCCNCCCN=[N+]=[N-] 2230a_100000744732_100009816466 [0,2,0,0,0,0|2,0,0]=4 8251 B15R0.81 COC(=O)CCCCCNCCOCCO 2230a_100000211614_100009816466 [0,2,0,0,0,0|1,0,1]=4 8252 B15R0.81 COC(=O)CCCCCNCCOCCO 34a_100000211614_100009816466 [0,2,0,0,0,0|1,0,1]=4 8253 B15R0.81 COC(=O)CCCCCNCCSCCO 2230a_100011219999_100009816466 [0,2,0,0,0,0|1,0,1]=4 8254 B15R0.81 COC(=O)CCCCCOCCCCC#N 7a_100000074720_100000211819 [0,2,0,0,0,0|0,0,2]=4 8255 B15R0.81 COC(=O)CCCCCOCCCCC=O 7a_100000074720_100000139335 [0,2,0,0,0,0|0,0,1]=3 8256 B15R0.81 COC(=O)CCCCCOCCCCCBr 34a_100000746331_100009816466 [0,2,0,0,0,0|0,0,2]=4 8257 B15R0.81 COC(=O)CCCCCOCCCCCBr 7a_100000746331_100009816466 [0,2,0,0,0,0|0,0,2]=4 8258 B15R0.81 COC(=O)CCCCCOCCCCCCl 34a_100000746330_100009816466 [0,2,0,0,0,0|0,0,2]=4 8259 B15R0.81 COC(=O)CCCCCOCCCCCCl 7a_100000746330_100009816466 [0,2,0,0,0,0|0,0,2]=4 8260 B15R0.81 COC(=O)CCCCCOCCCCCF 34a_100000074720_100000729378 [0,2,0,0,0,0|0,0,2]=4 8261 B15R0.81 COC(=O)CCCCCOCCCCCF 7a_100000074720_100000729378 [0,2,0,0,0,0|0,0,2]=4 8262 B15R0.81 COC(=O)CCCCCOCCCCCI 34a_200012148887_100009816466 [0,2,0,0,0,0|0,0,2]=4 8263 B15R0.81 COC(=O)CCCCCOCCCCCI 7a_200012148887_100009816466 [0,2,0,0,0,0|0,0,2]=4 8264 B15R0.81 COC(=O)CCCCCOCCCCCN 34a_100000762737_100009816466 [0,2,0,0,0,0|0,0,2]=4 8265 B15R0.81 COC(=O)CCCCCOCCCCCO 34a_100000074720_100000746330 [0,2,0,0,0,0|0,0,2]=4 8266 B15R0.81 COC(=O)CCCCCOCCCCCO 7a_100000074720_100000746330 [0,2,0,0,0,0|0,0,2]=4 8267 B15R0.81 COC(=O)CCCCCOCCCCSC 34a_100011217163_100009816466 [0,2,0,0,0,0|0,0,2]=4 8268 B15R0.81 COC(=O)CCCCCOCCCCSC 7a_100011217163_100009816466 [0,2,0,0,0,0|0,0,2]=4 8269 B15R0.81 COC(=O)CCCCCOCCOCC#N 7a_100000074720_200000047693 [0,2,0,0,0,0|1,0,1]=4 8270 B15R0.81 COC(=O)CCCCCOCCOCCBr 34a_100000692535_100009816466 [0,2,0,0,0,0|1,0,1]=4 8271 B15R0.81 COC(=O)CCCCCOCCOCCBr 7a_100000692535_100009816466 [0,2,0,0,0,0|1,0,1]=4 8272 B15R0.81 COC(=O)CCCCCOCCOCCCl 34a_100011215305_100009816466 [0,2,0,0,0,0|1,0,1]=4 8273 B15R0.81 COC(=O)CCCCCOCCOCCCl 7a_100011215305_100009816466 [0,2,0,0,0,0|1,0,1]=4 8274 B15R0.81 COC(=O)CCCCCOCCOCCF 34a_200015357709_100009816466 [0,2,0,0,0,0|1,0,1]=4 8275 B15R0.81 COC(=O)CCCCCOCCOCCF 7a_200015357709_100009816466 [0,2,0,0,0,0|1,0,1]=4 8276 B15R0.81 COC(=O)CCCCCOCCOCCI 34a_100012149058_100009816466 [0,2,0,0,0,0|1,0,1]=4 8277 B15R0.81 COC(=O)CCCCCOCCOCCI 7a_100012149058_100009816466 [0,2,0,0,0,0|1,0,1]=4 8278 B15R0.81 COC(=O)CCCCCOCCOCCN 34a_100000211614_100009816466 [0,2,0,0,0,0|1,0,1]=4 8279 B15R0.81 COC(=O)CCCCCOCCOCCO 34a_100000074720_100000692535 [0,2,0,0,0,0|1,0,1]=4 8280 B15R0.81 COC(=O)CCCCCOCCOCCO 7a_100000074720_100011215305 [0,2,0,0,0,0|1,0,1]=4 8281 B15R0.81 COC(=O)CCCCCSCCCCC#N 62a_100009816466_100000211819 [0,2,0,0,0,0|0,0,2]=4 8282 B15R0.81 COC(=O)CCCCCSCCCCC#N 62a_100011219923_100009816466 [0,2,0,0,0,0|0,0,2]=4 8283 B15R0.81 COC(=O)CCCCCSCCCCC=O 62a_100000139335_100009816466 [0,2,0,0,0,0|0,0,1]=3 8284 B15R0.81 COC(=O)CCCCCSCCCCC=O 62a_100009816466_100000139335 [0,2,0,0,0,0|0,0,1]=3 8285 B15R0.81 COC(=O)CCCCCSCCCCCF 62a_100000729378_100009816466 [0,2,0,0,0,0|0,0,2]=4 8286 B15R0.81 COC(=O)CCCCCSCCCCCF 62a_100009816466_100000729378 [0,2,0,0,0,0|0,0,2]=4 8287 B15R0.81 COC(=O)CCCCCSCCCCCO 62a_100000746330_100009816466 [0,2,0,0,0,0|0,0,2]=4 8288 B15R0.81 COC(=O)CCCCCSCCCCCO 62a_100009816466_100000746330 [0,2,0,0,0,0|0,0,2]=4 8289 B15R0.81 COC(=O)CCCCCSCCOCC#N 62a_100009816466_200000047693 [0,2,0,0,0,0|1,0,1]=4 8290 B15R0.81 COC(=O)CCCCCSCCOCC#N 62a_200000047693_100009816466 [0,2,0,0,0,0|1,0,1]=4 8291 B15R0.81 COC(=O)CCCCCSCCOCCO 62a_100009816466_100011215305 [0,2,0,0,0,0|1,0,1]=4 8292 B15R0.81 COC(=O)CCCCCSCCOCCO 62a_100011215305_100009816466 [0,2,0,0,0,0|1,0,1]=4 8293 B15R0.81 COC(=O)CCCCNCCCCCCO 2230a_100000686447_100000204269 [0,2,0,0,0,0|0,0,2]=4 8294 B15R0.81 COC(=O)CCCCNCCCCCCO 34a_100000686447_100000204269 [0,2,0,0,0,0|0,0,2]=4 8295 B15R0.81 COC(=O)CCCCNCCCCN=[N+]=[N-] 2230a_100000101370_100000204269 [0,2,0,0,0,0|2,0,0]=4 8296 B15R0.81 COC(=O)CCCCOCCCCCC#N 7a_100000059025_100009813376 [0,2,0,0,0,0|0,0,2]=4 8297 B15R0.81 COC(=O)CCCCOCCCCCC=O 7a_100000059025_100000139337 [0,2,0,0,0,0|0,0,1]=3 8298 B15R0.81 COC(=O)CCCCOCCCCCCBr 34a_100011215345_100000204269 [0,2,0,0,0,0|0,0,2]=4 8299 B15R0.81 COC(=O)CCCCOCCCCCCBr 7a_100011215345_100000204269 [0,2,0,0,0,0|0,0,2]=4 8300 B15R0.81 COC(=O)CCCCOCCCCCCCl 34a_100000766143_100000204269 [0,2,0,0,0,0|0,0,2]=4 8301 B15R0.81 COC(=O)CCCCOCCCCCCCl 7a_100000766143_100000204269 [0,2,0,0,0,0|0,0,2]=4 8302 B15R0.81 COC(=O)CCCCOCCCCCCF 34a_100000059025_100015922095 [0,2,0,0,0,0|0,0,2]=4 8303 B15R0.81 COC(=O)CCCCOCCCCCCF 34a_100000732779_100000204269 [0,2,0,0,0,0|0,0,2]=4 8304 B15R0.81 COC(=O)CCCCOCCCCCCF 7a_100000059025_100015922095 [0,2,0,0,0,0|0,0,2]=4 8305 B15R0.81 COC(=O)CCCCOCCCCCCF 7a_100000732779_100000204269 [0,2,0,0,0,0|0,0,2]=4 8306 B15R0.81 COC(=O)CCCCOCCCCCCN 34a_100000686447_100000204269 [0,2,0,0,0,0|0,0,2]=4 8307 B15R0.81 COC(=O)CCCCOCCCCCCO 34a_100000059025_100000766143 [0,2,0,0,0,0|0,0,2]=4 8308 B15R0.81 COC(=O)CCCCOCCCCCCO 7a_100000059025_100000766143 [0,2,0,0,0,0|0,0,2]=4 8309 B15R0.81 COC(=O)CCCCSCCCCCC#N 62a_100000204269_100009813376 [0,2,0,0,0,0|0,0,2]=4 8310 B15R0.81 COC(=O)CCCCSCCCCCC#N 62a_100009813376_100000204269 [0,2,0,0,0,0|0,0,2]=4 8311 B15R0.81 COC(=O)CCCCSCCCCCC=O 62a_100000139337_100000204269 [0,2,0,0,0,0|0,0,1]=3 8312 B15R0.81 COC(=O)CCCCSCCCCCC=O 62a_100000204269_100000139337 [0,2,0,0,0,0|0,0,1]=3 8313 B15R0.81 COC(=O)CCCCSCCCCCCF 62a_100000204269_100015922095 [0,2,0,0,0,0|0,0,2]=4 8314 B15R0.81 COC(=O)CCCCSCCCCCCF 62a_100015922095_100000204269 [0,2,0,0,0,0|0,0,2]=4 8315 B15R0.81 COC(=O)CCCCSCCCCCCO 62a_100000204269_100000766143 [0,2,0,0,0,0|0,0,2]=4 8316 B15R0.81 COC(=O)CCCCSCCCCCCO 62a_100000766143_100000204269 [0,2,0,0,0,0|0,0,2]=4 8317 B15R0.81 COC(=O)CCCNCCCCCCCO 2230a_100011996573_100011218270 [0,2,0,0,0,0|0,0,2]=4 8318 B15R0.81 COC(=O)CCCNCCCCCCCO 34a_100011996573_100000742333 [0,2,0,0,0,0|0,0,2]=4 8319 B15R0.81 COC(=O)CCCNCCCOCCCO 2230a_100011310245_100011218270 [0,2,0,0,0,0|1,0,1]=4 8320 B15R0.81 COC(=O)CCCNCCCOCCCO 34a_100011310245_100000742333 [0,2,0,0,0,0|1,0,1]=4 8321 B15R0.81 COC(=O)CCCOCCCCCCCBr 34a_100000760002_100000742333 [0,2,0,0,0,0|0,0,2]=4 8322 B15R0.81 COC(=O)CCCOCCCCCCCBr 7a_100000760002_100011218270 [0,2,0,0,0,0|0,0,2]=4 8323 B15R0.81 COC(=O)CCCOCCCCCCCN 34a_100011996573_100000742333 [0,2,0,0,0,0|0,0,2]=4 8324 B15R0.81 COC(=O)CCCOCCCOCCCN 34a_100011310245_100000742333 [0,2,0,0,0,0|1,0,1]=4 8325 B15R0.81 COC(=O)CCCSCCCCCCC#N 62a_100009813337_100011218270 [0,2,0,0,0,0|0,0,2]=4 8326 B15R0.81 COC(=O)CCCSCCCCCCC#N 62a_100011218270_100009813337 [0,2,0,0,0,0|0,0,2]=4 8327 B15R0.81 COC(=O)CCCSCCCCCCCO 62a_100000760002_100011218270 [0,2,0,0,0,0|0,0,2]=4 8328 B15R0.81 COC(=O)CCCSCCCCCCCO 62a_100011218270_100000760002 [0,2,0,0,0,0|0,0,2]=4 8329 B15R0.81 COC(=O)CCNCCCCCCCCO 2230a_102515433106_100000204255 [0,2,0,0,0,0|0,0,2]=4 8330 B15R0.81 COC(=O)CCNCCCCCCCCO 34a_102515433106_100000742370 [0,2,0,0,0,0|0,0,2]=4 8331 B15R0.81 COC(=O)CCNCCCCCCN=[N+]=[N-] 2230a_200000049180_100000204255 [0,2,0,0,0,0|2,0,0]=4 8332 B15R0.81 COC(=O)CCOCCCCCCCCBr 34a_100009813846_100000742370 [0,2,0,0,0,0|0,0,2]=4 8333 B15R0.81 COC(=O)CCOCCCCCCCCBr 7a_100009813846_100000204255 [0,2,0,0,0,0|0,0,2]=4 8334 B15R0.81 COC(=O)CCOCCCCCCCCCl 34a_100000033203_100000742370 [0,2,0,0,0,0|0,0,2]=4 8335 B15R0.81 COC(=O)CCOCCCCCCCCCl 7a_100000033203_100000204255 [0,2,0,0,0,0|0,0,2]=4 8336 B15R0.81 COC(=O)CCOCCCCCCCCN 34a_102515433106_100000742370 [0,2,0,0,0,0|0,0,2]=4 8337 B15R0.81 COC(=O)CCOCCCCCNCCN 34a_103619048469_100000742370 [0,2,0,0,0,0|1,0,1]=4 8338 B15R0.81 COC(=O)CCOCCOCCOCC=O 34a_100010982084_200009817547 [0,2,0,0,0,0|2,0,0]=4 8339 B15R0.81 COC(=O)CCOCCOCCOCC=O 7a_100010982084_200015260668 [0,2,0,0,0,0|2,0,0]=4 8340 B15R0.81 COC(=O)CCSCCCCCCCCO 62a_100000033203_100000204255 [0,2,0,0,0,0|0,0,2]=4 8341 B15R0.81 COC(=O)CCSCCCCCCCCO 62a_100000204255_100000033203 [0,2,0,0,0,0|0,0,2]=4 8342 B15R0.81 COC(=O)CNCCCCCCCCCO 2230a_100000078944_100000747449 [0,2,0,0,0,0|0,0,2]=4 8343 B15R0.81 COC(=O)CNCCCCCCCCCO 34a_100000078944_100000747449 [0,2,0,0,0,0|0,0,2]=4 8344 B15R0.81 COC(=O)COCCCCCCCCCBr 34a_100009813782_100000747449 [0,2,0,0,0,0|0,0,2]=4 8345 B15R0.81 COC(=O)COCCCCCCCCCBr 7a_100009813782_100000747449 [0,2,0,0,0,0|0,0,2]=4 8346 B15R0.81 COC(=O)COCCCCCCCCCCl 34a_100009868337_100000747449 [0,2,0,0,0,0|0,0,2]=4 8347 B15R0.81 COC(=O)COCCCCCCCCCCl 7a_100009868337_100000747449 [0,2,0,0,0,0|0,0,2]=4 8348 B15R0.81 COC(=O)COCCCCCCCCCN 34a_100000078944_100000747449 [0,2,0,0,0,0|0,0,2]=4 8349 B15R0.81 COC(=O)COCCNCCCCCCO 2230a_100000686447_100000090808 [0,2,0,0,0,0|1,0,1]=4 8350 B15R0.81 COC(=O)COCCNCCCCCCO 34a_100000686447_100000090808 [0,2,0,0,0,0|1,0,1]=4 8351 B15R0.81 COC(=O)COCCOCCCCCCBr 34a_100011215345_100000090808 [0,2,0,0,0,0|1,0,1]=4 8352 B15R0.81 COC(=O)COCCOCCCCCCBr 7a_100011215345_100000090808 [0,2,0,0,0,0|1,0,1]=4 8353 B15R0.81 COC(=O)COCCOCCCCCCCl 34a_100000766143_100000090808 [0,2,0,0,0,0|1,0,1]=4 8354 B15R0.81 COC(=O)COCCOCCCCCCCl 7a_100000766143_100000090808 [0,2,0,0,0,0|1,0,1]=4 8355 B15R0.81 COC(=O)COCCOCCCCCCF 34a_100000732779_100000090808 [0,2,0,0,0,0|1,0,1]=4 8356 B15R0.81 COC(=O)COCCOCCCCCCF 7a_100000732779_100000090808 [0,2,0,0,0,0|1,0,1]=4 8357 B15R0.81 COC(=O)COCCOCCCCCCN 34a_100000686447_100000090808 [0,2,0,0,0,0|1,0,1]=4 8358 B15R0.81 COC(=O)COCCSCCCCCC#N 62a_100000090808_100009813376 [0,2,0,0,0,0|1,0,1]=4 8359 B15R0.81 COC(=O)COCCSCCCCCC#N 62a_100009813376_100000090808 [0,2,0,0,0,0|1,0,1]=4 8360 B15R0.81 COC(=O)COCCSCCCCCC=O 62a_100000090808_100000139337 [0,2,0,0,0,0|1,0,0]=3 8361 B15R0.81 COC(=O)COCCSCCCCCC=O 62a_100000139337_100000090808 [0,2,0,0,0,0|1,0,0]=3 8362 B15R0.81 COC(=O)COCCSCCCCCCF 62a_100000090808_100015922095 [0,2,0,0,0,0|1,0,1]=4 8363 B15R0.81 COC(=O)COCCSCCCCCCF 62a_100015922095_100000090808 [0,2,0,0,0,0|1,0,1]=4 8364 B15R0.81 COC(=O)COCCSCCCCCCO 62a_100000090808_100000766143 [0,2,0,0,0,0|1,0,1]=4 8365 B15R0.81 COC(=O)COCCSCCCCCCO 62a_100000766143_100000090808 [0,2,0,0,0,0|1,0,1]=4 8366 B15R0.81 COC(=O)CSCCCCCCCCCO 62a_100000747449_100009813782 [0,2,0,0,0,0|0,0,2]=4 8367 B15R0.81 COC(=O)CSCCCCCCCCCO 62a_100009813782_100000747449 [0,2,0,0,0,0|0,0,2]=4 8368 B15R0.81 COC(=O)NCCOCCCCCCCO 34a_100000757965_100000760002 [0,2,0,0,0,0|1,0,1]=4 8369 B15R0.81 COC(=O)OCCOCCCCCCCO 34a_100010262106_100000760002 [0,2,0,0,0,0|1,0,1]=4 8370 B15R0.81 COC(=O)OCSCCCCCCCCO 62a_100000033203_100000139417 [0,2,0,0,0,0|1,0,1]=4 8371 B15R0.81 COCCCCCCCCCCC(=O)OC 34a_100011003013_200000210301 [0,2,0,0,0,0|0,0,2]=4 8372 B15R0.81 COCCCCCCCCCCC(=O)OC 34a_100138415774_100009812566 [0,2,0,0,0,0|0,0,2]=4 8373 B15R0.81 COCCCCCCCCCCC(=O)OC 7a_100011003013_200000210301 [0,2,0,0,0,0|0,0,2]=4 8374 B15R0.81 COCCCCCCOCCCC(=O)OC 34a_200012092642_100000742333 [0,2,0,0,0,0|0,0,2]=4 8375 B15R0.81 COCCCCCCOCCCC(=O)OC 7a_200012092642_100011218270 [0,2,0,0,0,0|0,0,2]=4 8376 B15R0.81 COCCCCCCOCCNC(=O)OC 34a_100000757965_100011998445 [0,2,0,0,0,0|1,0,1]=4 8377 B15R0.81 COCCCCCCOCCOC(=O)OC 34a_100010262106_100011998445 [0,2,0,0,0,0|1,0,1]=4 8378 B15R0.81 COCCCCCCSCCCC(=O)OC 62a_100011218270_100011998445 [0,2,0,0,0,0|0,0,2]=4 8379 B15R0.81 COCCCCCCSCCCC(=O)OC 62a_100011998445_100011218270 [0,2,0,0,0,0|0,0,2]=4 8380 B15R0.81 COCCCCCNCCCCC(=O)OC 2230a_100000747528_100000204269 [0,2,0,0,0,0|0,0,2]=4 8381 B15R0.81 COCCCCCNCCCCC(=O)OC 34a_100000747528_100000204269 [0,2,0,0,0,0|0,0,2]=4 8382 B15R0.81 COCCCCCNCCOCC(=O)OC 2230a_100000747528_100000090808 [0,2,0,0,0,0|1,0,1]=4 8383 B15R0.81 COCCCCCNCCOCC(=O)OC 34a_100000747528_100000090808 [0,2,0,0,0,0|1,0,1]=4 8384 B15R0.81 COCCCCOCCCCCC(=O)OC 34a_100000074720_100000755781 [0,2,0,0,0,0|0,0,2]=4 8385 B15R0.81 COCCCCOCCCCCC(=O)OC 34a_100000740925_100009816466 [0,2,0,0,0,0|0,0,2]=4 8386 B15R0.81 COCCCCOCCCCCC(=O)OC 7a_100000074720_100000730899 [0,2,0,0,0,0|0,0,2]=4 8387 B15R0.81 COCCCCSCCCCCC(=O)OC 62a_100000730899_100009816466 [0,2,0,0,0,0|0,0,2]=4 8388 B15R0.81 COCCCCSCCCCCC(=O)OC 62a_100009816466_100000730899 [0,2,0,0,0,0|0,0,2]=4 8389 B15R0.81 COCCCNCCCCCCC(=O)OC 34a_100150723488_100009815986 [0,2,0,0,0,0|0,0,2]=4 8390 B15R0.81 COCCCOCCCCCCC(=O)OC 34a_100000740835_100009815986 [0,2,0,0,0,0|0,0,2]=4 8391 B15R0.81 COCCCOCCCCCCC(=O)OC 34a_100009863599_100000740836 [0,2,0,0,0,0|0,0,2]=4 8392 B15R0.81 COCCCOCCCCCCC(=O)OC 7a_100009863599_100000740836 [0,2,0,0,0,0|0,0,2]=4 8393 B15R0.81 COCCCOCCCOCCC(=O)OC 34a_200011215475_100000742370 [0,2,0,0,0,0|1,0,1]=4 8394 B15R0.81 COCCCOCCCOCCC(=O)OC 7a_200011215475_100000204255 [0,2,0,0,0,0|1,0,1]=4 8395 B15R0.81 COCCCSCCCCCCC(=O)OC 62a_100000709357_100009815986 [0,2,0,0,0,0|0,0,2]=4 8396 B15R0.81 COCCCSCCCCCCC(=O)OC 62a_100009815986_100000709357 [0,2,0,0,0,0|0,0,2]=4 8397 B15R0.81 COCCNCCCCCCCC(=O)OC 2230a_100000209980_100010004213 [0,2,0,0,0,0|0,0,2]=4 8398 B15R0.81 COCCOCCCCCCCC(=O)OC 34a_100000210237_100010004213 [0,2,0,0,0,0|0,0,2]=4 8399 B15R0.81 COCCOCCCCCCCC(=O)OC 34a_100011022521_100011201679 [0,2,0,0,0,0|0,0,2]=4 8400 B15R0.81 COCCOCCCCCCCC(=O)OC 7a_100011022521_100000233755 [0,2,0,0,0,0|0,0,2]=4 8401 B15R0.81 COCCOCCCNCCCC(=O)OC 2230a_100000206027_100011218270 [0,2,0,0,0,0|1,0,1]=4 8402 B15R0.81 COCCOCCCNCCCC(=O)OC 34a_100000206027_100000742333 [0,2,0,0,0,0|1,0,1]=4 8403 B15R0.81 COCCOCCCSCCCC(=O)OC 62a_100011216529_100011218270 [0,2,0,0,0,0|1,0,1]=4 8404 B15R0.81 COCCOCCCSCCCC(=O)OC 62a_100011218270_100011216529 [0,2,0,0,0,0|1,0,1]=4 8405 B15R0.81 COCCOCCNCCCCC(=O)OC 2230a_100000745349_100000204269 [0,2,0,0,0,0|1,0,1]=4 8406 B15R0.81 COCCOCCNCCCCC(=O)OC 34a_100000745349_100000204269 [0,2,0,0,0,0|1,0,1]=4 8407 B15R0.81 COCCOCCOCCCCC(=O)OC 34a_100000059025_100000695917 [0,2,0,0,0,0|1,0,1]=4 8408 B15R0.81 COCCOCCOCCCCC(=O)OC 34a_100011215163_100000204269 [0,2,0,0,0,0|1,0,1]=4 8409 B15R0.81 COCCOCCOCCCCC(=O)OC 7a_100000059025_100000695917 [0,2,0,0,0,0|1,0,1]=4 8410 B15R0.81 COCCOCCOCCCCC(=O)OC 7a_100011215163_100000204269 [0,2,0,0,0,0|1,0,1]=4 8411 B15R0.81 COCCOCCSCCCCC(=O)OC 62a_100000204269_100000695917 [0,2,0,0,0,0|1,0,1]=4 8412 B15R0.81 COCCOCCSCCCCC(=O)OC 62a_100000695917_100000204269 [0,2,0,0,0,0|1,0,1]=4 8413 B15R0.81 COCCOCSCCCCCC(=O)OC 62a_100000231047_100009816466 [0,2,0,0,0,0|1,0,1]=4 8414 B15R0.81 COCCOCSCCCCCC(=O)OC 62a_100009816466_100000231047 [0,2,0,0,0,0|1,0,1]=4 8415 B15R0.81 COCCSCCCCCCCC(=O)OC 62a_100000233755_100010004213 [0,2,0,0,0,0|0,0,2]=4 8416 B15R0.81 COCCSCCCCCCCC(=O)OC 62a_100010004213_100000233755 [0,2,0,0,0,0|0,0,2]=4 8417 B15R0.81 COCSCCCCCCCCC(=O)OC 62a_100000766300_100010282707 [0,2,0,0,0,0|0,0,2]=4 8418 B15R0.81 COCSCCCCCCCCC(=O)OC 62a_100010282707_100000766300 [0,2,0,0,0,0|0,0,2]=4 8419 B15R0.84 C=CCCCCCCCCCC(=O)C(=C)C 1458a_100000185857_100009814027 [0,2,0,0,0,0|1,0,0]=3 8420 B15R0.84 C=CCCCCCCCCCC(=O)C(C)C 1458a_100000210198_100009814027 [0,2,0,0,0,0|1,0,0]=3 8421 B15R0.84 C=CCCCCCCCCCC(=O)C(C)F 1458a_100000062450_100009814027 [0,2,0,0,0,0|1,0,0]=3 8422 B15R0.84 C=CCCCCCCCCCC(=O)C(O)O 1458a_100000233687_100009814027 [0,2,0,0,0,0|2,0,0]=4 8423 B15R0.84 C=CCCCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100009814027 [0,2,0,0,0,0|1,0,0]=3 8424 B15R0.84 C=CCCCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100009814027 [0,2,0,0,0,0|1,0,0]=3 8425 B15R0.84 C=CCCCCCCCNCC(=O)N(C)C 2230a_100015183351_100012355270 [0,2,0,0,0,0|1,0,0]=3 8426 B15R0.84 C=CCCCCCCCOCC(=O)C(=O)C 34a_100000730831_100011261029 [0,2,0,0,0,0|1,0,0]=3 8427 B15R0.84 C=CCCCCCCCOCC(=O)C(C)C 34a_100000730831_100000753385 [0,2,0,0,0,0|1,0,0]=3 8428 B15R0.84 C=CCCCCCCCOCC(=O)C(C)C 7a_100000730831_100000753385 [0,2,0,0,0,0|1,0,0]=3 8429 B15R0.84 C=CCCCCCCCOCC(=O)N(C)C 34a_100000730831_100000692301 [0,2,0,0,0,0|1,0,0]=3 8430 B15R0.84 C=CCCCCCCCOCC(=O)N(C)C 7a_100000730831_100000692301 [0,2,0,0,0,0|1,0,0]=3 8431 B15R0.84 C=CCCCCCCCSCC(=O)C(=O)C 62a_100011261029_100012355270 [0,2,0,0,0,0|1,0,0]=3 8432 B15R0.84 C=CCCCCCCCSCC(=O)C(=O)C 62a_100012355270_100011261029 [0,2,0,0,0,0|1,0,0]=3 8433 B15R0.84 C=CCCCCCCCSCC(=O)C(C)C 62a_100000753385_100012355270 [0,2,0,0,0,0|1,0,0]=3 8434 B15R0.84 C=CCCCCCCCSCC(=O)C(C)C 62a_100012355270_100000753385 [0,2,0,0,0,0|1,0,0]=3 8435 B15R0.84 C=CCCCCCCCSCC(=O)N(C)C 62a_100000692301_100012355270 [0,2,0,0,0,0|1,0,0]=3 8436 B15R0.84 C=CCCCCCCCSCC(=O)N(C)C 62a_100012355270_100000692301 [0,2,0,0,0,0|1,0,0]=3 8437 B15R0.84 C=CCCCCCCNCCC(=O)N(C)C 2230a_100000738053_100011215473 [0,2,0,0,0,0|1,0,0]=3 8438 B15R0.84 C=CCCCCCCOCCC(=O)N(C)C 34a_200000747469_100011215473 [0,2,0,0,0,0|1,0,0]=3 8439 B15R0.84 C=CCCCCCCOCCC(=O)N(C)C 7a_200011216477_100000737620 [0,2,0,0,0,0|1,0,0]=3 8440 B15R0.84 C=CCCCCCCSCCC(=O)N(C)C 62a_100000737620_100011215473 [0,2,0,0,0,0|1,0,0]=3 8441 B15R0.84 C=CCCCCCCSCCC(=O)N(C)C 62a_100011215473_100000737620 [0,2,0,0,0,0|1,0,0]=3 8442 B15R0.84 C=CCCCCCCSCOC(=O)C(C)C 62a_100000139345_100011215473 [0,2,0,0,0,0|2,0,0]=4 8443 B15R0.84 C=CCCCCCCSCOC(=O)C(C)C 62a_100011215473_100000139345 [0,2,0,0,0,0|2,0,0]=4 8444 B15R0.84 C=CCCCCCNCCCC(=O)N(C)C 2230a_200000744827_100000700193 [0,2,0,0,0,0|1,0,0]=3 8445 B15R0.84 C=CCCCCCNCCNC(=O)C(=C)C 2230a_100102636416_100000700193 [0,2,0,0,0,0|2,0,0]=4 8446 B15R0.84 C=CCCCCCNCCNC(=O)C(C)C 2230a_100000752568_100000700193 [0,2,0,0,0,0|2,0,0]=4 8447 B15R0.84 C=CCCCCCNCCNC(=O)C(C)C 34a_100000752568_100000700193 [0,2,0,0,0,0|2,0,0]=4 8448 B15R0.84 C=CCCCCCOCCCC(=O)N(C)C 7a_100011216702_100000737642 [0,2,0,0,0,0|1,0,0]=3 8449 B15R0.84 C=CCCCCCOCCOC(=O)C(=C)C 34a_100011216702_100009816335 [0,2,0,0,0,0|2,0,0]=4 8450 B15R0.84 C=CCCCCCOCCOC(=O)C(=C)C 7a_100011216702_100009816335 [0,2,0,0,0,0|2,0,0]=4 8451 B15R0.84 C=CCCCCCSCCCC(=O)N(C)C 62a_100000700193_100000737642 [0,2,0,0,0,0|1,0,0]=3 8452 B15R0.84 C=CCCCCCSCCCC(=O)N(C)C 62a_100000737642_100000700193 [0,2,0,0,0,0|1,0,0]=3 8453 B15R0.84 C=CCCCCCSCCOC(=O)C(=C)C 62a_100000700193_100009816335 [0,2,0,0,0,0|2,0,0]=4 8454 B15R0.84 C=CCCCCCSCCOC(=O)C(=C)C 62a_100009816335_100000700193 [0,2,0,0,0,0|2,0,0]=4 8455 B15R0.84 C=CCCCCNCCCCC(=O)N(C)C 34a_100000703577_100000752486 [0,2,0,0,0,0|1,0,0]=3 8456 B15R0.84 C=CCCCCNCCCNC(=O)C(=C)C 2230a_100016987756_100011215482 [0,2,0,0,0,0|2,0,0]=4 8457 B15R0.84 C=CCCCCOCCCCC(=O)N(C)C 34a_100000766645_100000752486 [0,2,0,0,0,0|1,0,0]=3 8458 B15R0.84 C=CCCCCOCCCCC(=O)N(C)C 7a_100000766645_100000752486 [0,2,0,0,0,0|1,0,0]=3 8459 B15R0.84 C=CCCCCOCCCOC(=O)C(=C)C 7a_100000032641_100011215482 [0,2,0,0,0,0|2,0,0]=4 8460 B15R0.84 C=CCCCCSCCCCC(=O)N(C)C 62a_100000752486_100011215482 [0,2,0,0,0,0|1,0,0]=3 8461 B15R0.84 C=CCCCCSCCCCC(=O)N(C)C 62a_100011215482_100000752486 [0,2,0,0,0,0|1,0,0]=3 8462 B15R0.84 C=CCCCOCCCCOC(=O)C(=C)C 7a_100000065474_100000757094 [0,2,0,0,0,0|2,0,0]=4 8463 B15R0.84 C=CCNCCCCCCOC(=O)C(=C)C 2230a_100020586998_200010402237 [0,2,0,0,0,0|2,0,0]=4 8464 B15R0.84 C=CCOCCCCCCOC(=O)C(=C)C 34a_200000210373_200010402237 [0,2,0,0,0,0|2,0,0]=4 8465 B15R0.84 C=CCOCCOCCCCC(=O)N(C)C 34a_100000037705_100000752486 [0,2,0,0,0,0|2,0,0]=4 8466 B15R0.84 C=CCOCCOCCCCC(=O)N(C)C 7a_100000037705_100000752486 [0,2,0,0,0,0|2,0,0]=4 8467 B15R0.84 C=CCSCCCCCCOC(=O)C(=C)C 62a_100000210623_200010402237 [0,2,0,0,0,0|2,0,0]=4 8468 B15R0.84 C=CCSCCCCCCOC(=O)C(=C)C 62a_200010402237_100000210623 [0,2,0,0,0,0|2,0,0]=4 8469 B15R0.84 C=COCCCCOCCCC(=O)N(C)C 7a_100000031558_100000737642 [0,2,0,0,0,0|2,0,0]=4 8470 B15R0.84 C=COCCCNCCCCC(=O)N(C)C 34a_100000210767_100000752486 [0,2,0,0,0,0|2,0,0]=4 8471 B15R0.84 CC=CCCCOCCCCC(=O)N(C)C 34a_100020645299_100000752486 [0,2,0,0,0,0|2,0,0]=4 8472 B15R0.84 CN(C)C(=O)CCCCSCCCCC=O 62a_100000139335_100000752486 [0,2,0,0,0,0|2,0,0]=4 8473 B15R0.84 CN(C)C(=O)CCCCSCCCCC=O 62a_100000752486_100000139335 [0,2,0,0,0,0|2,0,0]=4 8474 B15R0.84 CN(C)C(=O)CCCNCCCCCC=O 2230a_200000744827_100000139337 [0,2,0,0,0,0|2,0,0]=4 8475 B15R0.84 CN(C)C(=O)CCCSCCCCCC=O 62a_100000139337_100000737642 [0,2,0,0,0,0|2,0,0]=4 8476 B15R0.84 CN(C)C(=O)CCCSCCCCCC=O 62a_100000737642_100000139337 [0,2,0,0,0,0|2,0,0]=4 8477 B15R0.247 C=C(Br)CCOCCCCCCC(=O)OC 34a_100009813270_100009815986 [0,2,0,0,0,0|0,0,0]=2 8478 B15R0.247 C=C(C)CCOCCCCCCC(=O)OC 34a_100000764851_100009815986 [0,2,0,0,0,0|0,0,0]=2 8479 B15R0.247 C=C(C)CCOCCCCCCC(=O)OC 34a_100009863599_100000730704 [0,2,0,0,0,0|0,0,0]=2 8480 B15R0.247 C=C(C)CCOCCCCCCC(=O)OC 7a_100009863599_100000730704 [0,2,0,0,0,0|0,0,0]=2 8481 B15R0.247 C=C(C)CCSCCCCCCC(=O)OC 62a_100000730704_100009815986 [0,2,0,0,0,0|0,0,0]=2 8482 B15R0.247 C=C(C)CCSCCCCCCC(=O)OC 62a_100009815986_100000730704 [0,2,0,0,0,0|0,0,0]=2 8483 B15R0.247 C=C(C)COCCCCCCCC(=O)OC 34a_100000210245_100010004213 [0,2,0,0,0,0|0,0,0]=2 8484 B15R0.247 C=C(C)COCCCCCCCC(=O)OC 34a_100011022521_100000748629 [0,2,0,0,0,0|0,0,0]=2 8485 B15R0.247 C=C(C)COCCCCCCCC(=O)OC 7a_100011022521_100000748629 [0,2,0,0,0,0|0,0,0]=2 8486 B15R0.247 C=C(C)COCCOCCOCC(=O)OC 34a_100011023656_100000748629 [0,2,0,0,0,0|2,0,0]=4 8487 B15R0.247 C=C(C)COCCOCCOCC(=O)OC 7a_100011023656_100000748629 [0,2,0,0,0,0|2,0,0]=4 8488 B15R0.247 C=C(C)CSCCCCCCCC(=O)OC 62a_100000748629_100010004213 [0,2,0,0,0,0|0,0,0]=2 8489 B15R0.247 C=C(C)CSCCCCCCCC(=O)OC 62a_100010004213_100000211660 [0,2,0,0,0,0|0,0,0]=2 8490 B15R0.247 C=C(F)COCCCCCCCC(=O)OC 34a_100011022521_100009893438 [0,2,0,0,0,0|0,0,0]=2 8491 B15R0.247 C=C(F)COCCCCCCCC(=O)OC 34a_200010262243_100010004213 [0,2,0,0,0,0|0,0,0]=2 8492 B15R0.247 C=C(F)COCCCCCCCC(=O)OC 7a_100011022521_100000042424 [0,2,0,0,0,0|0,0,0]=2 8493 B15R0.247 C=C(F)COCCOCCOCC(=O)OC 34a_100011023656_100009893438 [0,2,0,0,0,0|2,0,0]=4 8494 B15R0.247 C=C(F)COCCOCCOCC(=O)OC 7a_100011023656_100000042424 [0,2,0,0,0,0|2,0,0]=4 8495 B15R0.247 C=C(F)CSCCCCCCCC(=O)OC 62a_100000042424_100010004213 [0,2,0,0,0,0|0,0,0]=2 8496 B15R0.247 C=C(F)CSCCCCCCCC(=O)OC 62a_100010004213_100000042424 [0,2,0,0,0,0|0,0,0]=2 8497 B15R0.247 CNC(=O)CCCNCCCCCC(=O)N 2230a_100000740002_100009817443 [0,2,0,0,0,0|2,0,0]=4 8498 B15R0.247 CNC(=O)CCCNCCCCCC(=O)N 34a_100000740002_100009817443 [0,2,0,0,0,0|2,0,0]=4 8499 B15R0.247 CNC(=O)CCCOCCCCCC(=O)N 34a_100000123541_100000741757 [0,2,0,0,0,0|2,0,0]=4 8500 B15R0.247 CNC(=O)CCCOCCCCCC(=O)N 7a_100000123541_100000741757 [0,2,0,0,0,0|2,0,0]=4 8501 B15R0.247 CNC(=O)CCCOCCCCCC(=O)[O-] 7a_100102619762_100000741757 [0,2,0,0,0,0|2,0,0]=4 8502 B15R0.247 CNC(=O)CCCSCCCCCC(=O)N 62a_100000741757_100009817443 [0,2,0,0,0,0|2,0,0]=4 8503 B15R0.247 CNC(=O)CCCSCCCCCC(=O)N 62a_100009817443_100000741757 [0,2,0,0,0,0|2,0,0]=4 8504 B15R0.247 COC(=O)CCCCCCCCCC(=O)C 1458a_100000070787_100009813843 [0,2,0,0,0,0|0,0,1]=3 8505 B15R0.247 COC(=O)CCCCCCCCCC(=O)C 1458a_100009997464_200000210301 [0,2,0,0,0,0|0,0,1]=3 8506 B15R0.247 COC(=O)CCCCCCCCCC(=O)[13CH3] 1458a_100009997464_200025704644 [0,2,0,0,0,0|0,0,1]=3 8507 B15R0.247 COC(=O)CCCCCCCCCN(C)C 2230a_100102631434_100009813843 [0,2,0,0,0,0|0,0,2]=4 8508 B15R0.247 COC(=O)CCCCCCCCCN(C)C 269982a_100102631434_100009813843 [0,2,0,0,0,0|0,0,2]=4 8509 B15R0.247 COC(=O)CCCCCCCCNC(C)C 2230a_100138425928_100010282707 [0,2,0,0,0,0|0,0,2]=4 8510 B15R0.247 COC(=O)CCCCCCCCNC(C)C 34a_100138425928_100010282707 [0,2,0,0,0,0|0,0,2]=4 8511 B15R0.247 COC(=O)CCCCCCCCOC(C)C 34a_100000035544_100000210206 [0,2,0,0,0,0|0,0,2]=4 8512 B15R0.247 COC(=O)CCCCCCCCOC(C)C 34a_100000212225_100010282707 [0,2,0,0,0,0|0,0,2]=4 8513 B15R0.247 COC(=O)CCCCCCCCOC(C)C 7a_100000035544_100000210206 [0,2,0,0,0,0|0,0,2]=4 8514 B15R0.247 COC(=O)CCCCCCCCSC(C)C 62a_100000210206_100010282707 [0,2,0,0,0,0|0,0,2]=4 8515 B15R0.247 COC(=O)CCCCCCCCSC(C)C 62a_100010282707_100000210206 [0,2,0,0,0,0|0,0,2]=4 8516 B15R0.247 COC(=O)CCCCCCCNCC(=O)N 2230a_100000711301_100010004213 [0,2,0,0,0,0|1,0,0]=3 8517 B15R0.247 COC(=O)CCCCCCCNCC(=O)O 269956a_100016091260_100010004213 [0,2,0,0,0,0|1,0,0]=3 8518 B15R0.247 COC(=O)CCCCCCCNCC(C)C 2230a_100000210953_100010004213 [0,2,0,0,0,0|0,0,2]=4 8519 B15R0.247 COC(=O)CCCCCCCNCC(C)C 34a_100000210953_100010004213 [0,2,0,0,0,0|0,0,2]=4 8520 B15R0.247 COC(=O)CCCCCCCNCC(C)O 2230a_100000210904_100010004213 [0,2,0,0,0,0|0,0,2]=4 8521 B15R0.247 COC(=O)CCCCCCCNCC(C)O 34a_100000210904_100010004213 [0,2,0,0,0,0|0,0,2]=4 8522 B15R0.247 COC(=O)CCCCCCCNCC(F)F 34a_100000765723_100010004213 [0,2,0,0,0,0|1,0,1]=4 8523 B15R0.247 COC(=O)CCCCCCCOCC(=O)C 34a_100000211253_100010004213 [0,2,0,0,0,0|0,0,1]=3 8524 B15R0.247 COC(=O)CCCCCCCOCC(=O)N 34a_100011022521_100000187820 [0,2,0,0,0,0|1,0,0]=3 8525 B15R0.247 COC(=O)CCCCCCCOCC(=O)N 7a_100011022521_100000187820 [0,2,0,0,0,0|1,0,0]=3 8526 B15R0.247 COC(=O)CCCCCCCOCC(=O)[O-] 34a_100011022521_100020667443 [0,2,0,0,0,0|1,0,0]=3 8527 B15R0.247 COC(=O)CCCCCCCOCC(C)Br 34a_100012180447_100010004213 [0,2,0,0,0,0|0,0,2]=4 8528 B15R0.247 COC(=O)CCCCCCCOCC(C)C 34a_100000210257_100010004213 [0,2,0,0,0,0|0,0,2]=4 8529 B15R0.247 COC(=O)CCCCCCCOCC(C)C 34a_100011022521_100000210624 [0,2,0,0,0,0|0,0,2]=4 8530 B15R0.247 COC(=O)CCCCCCCOCC(C)C 7a_100011022521_100000210760 [0,2,0,0,0,0|0,0,2]=4 8531 B15R0.247 COC(=O)CCCCCCCOCC(C)F 34a_100015925927_100010004213 [0,2,0,0,0,0|0,0,2]=4 8532 B15R0.247 COC(=O)CCCCCCCOCC(C)O 34a_100011022521_100011218427 [0,2,0,0,0,0|0,0,2]=4 8533 B15R0.247 COC(=O)CCCCCCCOCC(C)O 7a_100011022521_100011218427 [0,2,0,0,0,0|0,0,2]=4 8534 B15R0.247 COC(=O)CCCCCCCOCC(F)F 34a_100000743014_100010004213 [0,2,0,0,0,0|1,0,1]=4 8535 B15R0.247 COC(=O)CCCCCCCOCC(F)F 34a_100011022521_100011934356 [0,2,0,0,0,0|1,0,1]=4 8536 B15R0.247 COC(=O)CCCCCCCOCC(F)F 7a_100011022521_100011934356 [0,2,0,0,0,0|1,0,1]=4 8537 B15R0.247 COC(=O)CCCCCCCOC[C@@H](C)Cl 34a_100016084084_100010004213 [0,2,0,0,0,0|0,0,2]=4 8538 B15R0.247 COC(=O)CCCCCCCOC[C@@H](C)N 34a_100000737577_100010004213 [0,2,0,0,0,0|0,0,2]=4 8539 B15R0.247 COC(=O)CCCCCCCOC[C@@H](C)O 34a_100011022521_100009817552 [0,2,0,0,0,0|0,0,2]=4 8540 B15R0.247 COC(=O)CCCCCCCOC[C@@H](C)O 7a_100011022521_100009817552 [0,2,0,0,0,0|0,0,2]=4 8541 B15R0.247 COC(=O)CCCCCCCOC[N+](=O)[O-] 34a_100011022521_100000761209 [0,2,0,0,0,0|2,0,0]=4 8542 B15R0.247 COC(=O)CCCCCCCSCC(=O)N 62a_100000747473_100010004213 [0,2,0,0,0,0|1,0,0]=3 8543 B15R0.247 COC(=O)CCCCCCCSCC(=O)N 62a_100010004213_100000747473 [0,2,0,0,0,0|1,0,0]=3 8544 B15R0.247 COC(=O)CCCCCCCSCC(=O)[O-] 62a_100010004213_100020667443 [0,2,0,0,0,0|1,0,0]=3 8545 B15R0.247 COC(=O)CCCCCCCSCC(=O)[O-] 62a_100020667443_100010004213 [0,2,0,0,0,0|1,0,0]=3 8546 B15R0.247 COC(=O)CCCCCCCSCC(C)C 62a_100000210624_100010004213 [0,2,0,0,0,0|0,0,2]=4 8547 B15R0.247 COC(=O)CCCCCCCSCC(C)C 62a_100010004213_100000210760 [0,2,0,0,0,0|0,0,2]=4 8548 B15R0.247 COC(=O)CCCCCCCSCC(C)O 62a_100010004213_100011218427 [0,2,0,0,0,0|0,0,2]=4 8549 B15R0.247 COC(=O)CCCCCCCSCC(C)O 62a_100011218427_100010004213 [0,2,0,0,0,0|0,0,2]=4 8550 B15R0.247 COC(=O)CCCCCCCSCC(F)F 62a_100010004213_100011934356 [0,2,0,0,0,0|1,0,1]=4 8551 B15R0.247 COC(=O)CCCCCCCSCC(F)F 62a_100011934356_100010004213 [0,2,0,0,0,0|1,0,1]=4 8552 B15R0.247 COC(=O)CCCCCCCSC[C@@H](C)O 62a_100009817552_100010004213 [0,2,0,0,0,0|0,0,2]=4 8553 B15R0.247 COC(=O)CCCCCCCSC[C@@H](C)O 62a_100010004213_100009817552 [0,2,0,0,0,0|0,0,2]=4 8554 B15R0.247 COC(=O)CCCCCCCSC[N+](=O)[O-] 62a_100010004213_100000761209 [0,2,0,0,0,0|2,0,0]=4 8555 B15R0.247 COC(=O)CCCCCCNCC=C(C)C 34a_100000718196_100009815986 [0,2,0,0,0,0|1,0,0]=3 8556 B15R0.247 COC(=O)CCCCCCNCCC(C)O 2230a_200000755665_100009815986 [0,2,0,0,0,0|0,0,2]=4 8557 B15R0.247 COC(=O)CCCCCCNOCC(=O)O 269956a_100000106656_100009815986 [0,2,0,0,0,0|2,0,0]=4 8558 B15R0.247 COC(=O)CCCCCCOCC=C(C)C 34a_100000753907_100009815986 [0,2,0,0,0,0|1,0,0]=3 8559 B15R0.247 COC(=O)CCCCCCOCC=C(C)C 34a_100009863599_100000761012 [0,2,0,0,0,0|1,0,0]=3 8560 B15R0.247 COC(=O)CCCCCCOCC=C(C)C 7a_100009863599_100000761012 [0,2,0,0,0,0|1,0,0]=3 8561 B15R0.247 COC(=O)CCCCCCOCCC(=O)C 34a_100000759926_100009815986 [0,2,0,0,0,0|0,0,1]=3 8562 B15R0.247 COC(=O)CCCCCCOCCC(=O)C 7a_100000759926_100009815986 [0,2,0,0,0,0|0,0,1]=3 8563 B15R0.247 COC(=O)CCCCCCOCCC(=O)C 7a_100009863599_100000053229 [0,2,0,0,0,0|0,0,1]=3 8564 B15R0.247 COC(=O)CCCCCCOCCC(=O)N 34a_100000757172_100009815986 [0,2,0,0,0,0|1,0,0]=3 8565 B15R0.247 COC(=O)CCCCCCOCCC(=O)N 34a_100009863599_100000731001 [0,2,0,0,0,0|1,0,0]=3 8566 B15R0.247 COC(=O)CCCCCCOCCC(=O)N 7a_100000757172_100009815986 [0,2,0,0,0,0|1,0,0]=3 8567 B15R0.247 COC(=O)CCCCCCOCCC(=O)N 7a_100009863599_100000744528 [0,2,0,0,0,0|1,0,0]=3 8568 B15R0.247 COC(=O)CCCCCCOCCC(C)Br 34a_100009893172_100009815986 [0,2,0,0,0,0|0,0,2]=4 8569 B15R0.247 COC(=O)CCCCCCOCCC(C)C 34a_100000210254_100009815986 [0,2,0,0,0,0|0,0,2]=4 8570 B15R0.247 COC(=O)CCCCCCOCCC(C)C 34a_100009863599_100000210312 [0,2,0,0,0,0|0,0,2]=4 8571 B15R0.247 COC(=O)CCCCCCOCCC(C)C 7a_100000210254_100009815986 [0,2,0,0,0,0|0,0,2]=4 8572 B15R0.247 COC(=O)CCCCCCOCCC(C)C 7a_100009863599_100000210626 [0,2,0,0,0,0|0,0,2]=4 8573 B15R0.247 COC(=O)CCCCCCOCCC(C)O 34a_100009863599_100012276601 [0,2,0,0,0,0|0,0,2]=4 8574 B15R0.247 COC(=O)CCCCCCOCCC(C)O 7a_100009863599_100012276601 [0,2,0,0,0,0|0,0,2]=4 8575 B15R0.247 COC(=O)CCCCCCOCCC(F)F 34a_100103093639_100009815986 [0,2,0,0,0,0|1,0,1]=4 8576 B15R0.247 COC(=O)CCCCCCOCCN(C)C 7a_100009863599_100000755713 [0,2,0,0,0,0|1,0,1]=4 8577 B15R0.247 COC(=O)CCCCCCOCC[C@@H](C)N 34a_100000706166_100009815986 [0,2,0,0,0,0|0,0,2]=4 8578 B15R0.247 COC(=O)CCCCCCOCOC(=O)C 34a_100009863599_100009813279 [0,2,0,0,0,0|1,0,1]=4 8579 B15R0.247 COC(=O)CCCCCCSCC=C(C)C 62a_100000761012_100009815986 [0,2,0,0,0,0|1,0,0]=3 8580 B15R0.247 COC(=O)CCCCCCSCC=C(C)C 62a_100009815986_100000761012 [0,2,0,0,0,0|1,0,0]=3 8581 B15R0.247 COC(=O)CCCCCCSCCC(=O)C 62a_100000053229_100009815986 [0,2,0,0,0,0|0,0,1]=3 8582 B15R0.247 COC(=O)CCCCCCSCCC(=O)C 62a_100009815986_100000053229 [0,2,0,0,0,0|0,0,1]=3 8583 B15R0.247 COC(=O)CCCCCCSCCC(=O)N 62a_100000744528_100009815986 [0,2,0,0,0,0|1,0,0]=3 8584 B15R0.247 COC(=O)CCCCCCSCCC(=O)N 62a_100009815986_100000744528 [0,2,0,0,0,0|1,0,0]=3 8585 B15R0.247 COC(=O)CCCCCCSCCC(C)C 62a_100000210312_100009815986 [0,2,0,0,0,0|0,0,2]=4 8586 B15R0.247 COC(=O)CCCCCCSCCC(C)C 62a_100009815986_100000210312 [0,2,0,0,0,0|0,0,2]=4 8587 B15R0.247 COC(=O)CCCCCCSCCC(C)O 62a_100009815986_100012276601 [0,2,0,0,0,0|0,0,2]=4 8588 B15R0.247 COC(=O)CCCCCCSCCC(C)O 62a_100012276601_100009815986 [0,2,0,0,0,0|0,0,2]=4 8589 B15R0.247 COC(=O)CCCCCCSCCN(C)C 62a_100009815986_100000755713 [0,2,0,0,0,0|1,0,1]=4 8590 B15R0.247 COC(=O)CCCCCCSCOC(=O)C 62a_100000076356_100009815986 [0,2,0,0,0,0|1,0,1]=4 8591 B15R0.247 COC(=O)CCCCCCSCOC(=O)C 62a_100009815986_100000076356 [0,2,0,0,0,0|1,0,1]=4 8592 B15R0.247 COC(=O)CCCCCNCCCC(=O)N 34a_100000739312_100009816466 [0,2,0,0,0,0|1,0,0]=3 8593 B15R0.247 COC(=O)CCCCCNCCCC(C)C 2230a_200000737386_100009816466 [0,2,0,0,0,0|0,0,2]=4 8594 B15R0.247 COC(=O)CCCCCNCCCC(C)C 34a_200000737386_100009816466 [0,2,0,0,0,0|0,0,2]=4 8595 B15R0.247 COC(=O)CCCCCNCCCS(=O)C 2230a_200000753449_100009816466 [0,2,0,0,0,0|1,0,1]=4 8596 B15R0.247 COC(=O)CCCCCNCCNC(=O)C 2230a_100000209853_100009816466 [0,2,0,0,0,0|1,0,1]=4 8597 B15R0.247 COC(=O)CCCCCNCCNC(=O)N 34a_100020590234_100009816466 [0,2,0,0,0,0|2,0,0]=4 8598 B15R0.247 COC(=O)CCCCCOCCC=C(C)C 34a_100000074720_100011217483 [0,2,0,0,0,0|1,0,0]=3 8599 B15R0.247 COC(=O)CCCCCOCCC=C(C)C 7a_100000074720_100011217483 [0,2,0,0,0,0|1,0,0]=3 8600 B15R0.247 COC(=O)CCCCCOCCC=C(F)F 34a_100000074720_200009816681 [0,2,0,0,0,0|1,0,0]=3 8601 B15R0.247 COC(=O)CCCCCOCCC=C(F)F 7a_100000074720_200009816681 [0,2,0,0,0,0|1,0,0]=3 8602 B15R0.247 COC(=O)CCCCCOCCCC(=O)C 34a_100000074720_100000685027 [0,2,0,0,0,0|0,0,1]=3 8603 B15R0.247 COC(=O)CCCCCOCCCC(=O)C 34a_100000759063_100009816466 [0,2,0,0,0,0|0,0,1]=3 8604 B15R0.247 COC(=O)CCCCCOCCCC(=O)C 7a_100000074720_100011215641 [0,2,0,0,0,0|0,0,1]=3 8605 B15R0.247 COC(=O)CCCCCOCCCC(=O)C 7a_100000759063_100009816466 [0,2,0,0,0,0|0,0,1]=3 8606 B15R0.247 COC(=O)CCCCCOCCCC(=O)N 34a_100000074720_100102525003 [0,2,0,0,0,0|1,0,0]=3 8607 B15R0.247 COC(=O)CCCCCOCCCC(=O)N 7a_100000074720_100102525003 [0,2,0,0,0,0|1,0,0]=3 8608 B15R0.247 COC(=O)CCCCCOCCCC(C)C 34a_100000074720_100011214892 [0,2,0,0,0,0|0,0,2]=4 8609 B15R0.247 COC(=O)CCCCCOCCCC(C)C 34a_100000210774_100009816466 [0,2,0,0,0,0|0,0,2]=4 8610 B15R0.247 COC(=O)CCCCCOCCCC(C)C 7a_100000074720_100011214892 [0,2,0,0,0,0|0,0,2]=4 8611 B15R0.247 COC(=O)CCCCCOCCCC(C)C 7a_100000210774_100009816466 [0,2,0,0,0,0|0,0,2]=4 8612 B15R0.247 COC(=O)CCCCCOCCCC(C)O 34a_100000074720_200000718107 [0,2,0,0,0,0|0,0,2]=4 8613 B15R0.247 COC(=O)CCCCCOCCCC(C)O 7a_100000074720_200000718107 [0,2,0,0,0,0|0,0,2]=4 8614 B15R0.247 COC(=O)CCCCCOCCCN(C)C 7a_100000074720_100000757444 [0,2,0,0,0,0|1,0,1]=4 8615 B15R0.247 COC(=O)CCCCCOCCC[N+](=O)[O-] 34a_200000037920_100009816466 [0,2,0,0,0,0|2,0,0]=4 8616 B15R0.247 COC(=O)CCCCCOCCNC(=O)C 34a_100000158858_100009816466 [0,2,0,0,0,0|1,0,1]=4 8617 B15R0.247 COC(=O)CCCCCOCCNC(=O)C 7a_100000074720_100000189650 [0,2,0,0,0,0|1,0,1]=4 8618 B15R0.247 COC(=O)CCCCCOCCNC(=O)N 34a_100000181757_100009816466 [0,2,0,0,0,0|2,0,0]=4 8619 B15R0.247 COC(=O)CCCCCOCCNC(=O)N 7a_100000074720_200000034859 [0,2,0,0,0,0|2,0,0]=4 8620 B15R0.247 COC(=O)CCCCCOCCOC(=O)C 34a_100000074720_100009814007 [0,2,0,0,0,0|1,0,1]=4 8621 B15R0.247 COC(=O)CCCCCOCCOC(=O)C 7a_100000074720_100009814007 [0,2,0,0,0,0|1,0,1]=4 8622 B15R0.247 COC(=O)CCCCCOCCOC(=O)N 34a_100000074720_200011214921 [0,2,0,0,0,0|2,0,0]=4 8623 B15R0.247 COC(=O)CCCCCOCCOC(=O)N 7a_100000074720_200011214921 [0,2,0,0,0,0|2,0,0]=4 8624 B15R0.247 COC(=O)CCCCCOCCOC(=O)N 7a_100000766696_100009816466 [0,2,0,0,0,0|2,0,0]=4 8625 B15R0.247 COC(=O)CCCCCSCCC=C(C)C 62a_100009816466_100011217483 [0,2,0,0,0,0|1,0,0]=3 8626 B15R0.247 COC(=O)CCCCCSCCC=C(C)C 62a_100011217483_100009816466 [0,2,0,0,0,0|1,0,0]=3 8627 B15R0.247 COC(=O)CCCCCSCCC=C(F)F 62a_100009816466_200009816681 [0,2,0,0,0,0|1,0,0]=3 8628 B15R0.247 COC(=O)CCCCCSCCC=C(F)F 62a_200009816681_100009816466 [0,2,0,0,0,0|1,0,0]=3 8629 B15R0.247 COC(=O)CCCCCSCCCC(=O)C 62a_100009816466_100011215641 [0,2,0,0,0,0|0,0,1]=3 8630 B15R0.247 COC(=O)CCCCCSCCCC(=O)C 62a_100011215641_100009816466 [0,2,0,0,0,0|0,0,1]=3 8631 B15R0.247 COC(=O)CCCCCSCCCC(=O)N 62a_100009816466_100102525003 [0,2,0,0,0,0|1,0,0]=3 8632 B15R0.247 COC(=O)CCCCCSCCCC(=O)N 62a_100102525003_100009816466 [0,2,0,0,0,0|1,0,0]=3 8633 B15R0.247 COC(=O)CCCCCSCCCC(C)C 62a_100009816466_100011214892 [0,2,0,0,0,0|0,0,2]=4 8634 B15R0.247 COC(=O)CCCCCSCCCC(C)C 62a_100011214892_100009816466 [0,2,0,0,0,0|0,0,2]=4 8635 B15R0.247 COC(=O)CCCCCSCCCC(C)O 62a_100009816466_200000718107 [0,2,0,0,0,0|0,0,2]=4 8636 B15R0.247 COC(=O)CCCCCSCCCC(C)O 62a_200000718107_100009816466 [0,2,0,0,0,0|0,0,2]=4 8637 B15R0.247 COC(=O)CCCCCSCCCN(C)C 62a_100009816466_100000757444 [0,2,0,0,0,0|1,0,1]=4 8638 B15R0.247 COC(=O)CCCCCSCCNC(=O)C 62a_100000189650_100009816466 [0,2,0,0,0,0|1,0,1]=4 8639 B15R0.247 COC(=O)CCCCCSCCNC(=O)C 62a_100009816466_100000189650 [0,2,0,0,0,0|1,0,1]=4 8640 B15R0.247 COC(=O)CCCCCSCCNC(=O)N 62a_100009816466_200000034859 [0,2,0,0,0,0|2,0,0]=4 8641 B15R0.247 COC(=O)CCCCCSCCNC(=O)N 62a_200000034859_100009816466 [0,2,0,0,0,0|2,0,0]=4 8642 B15R0.247 COC(=O)CCCCCSCCOC(=O)C 62a_100009814007_100009816466 [0,2,0,0,0,0|1,0,1]=4 8643 B15R0.247 COC(=O)CCCCCSCCOC(=O)C 62a_100009816466_100009814007 [0,2,0,0,0,0|1,0,1]=4 8644 B15R0.247 COC(=O)CCCCCSCCOC(=O)N 62a_100009816466_200011214921 [0,2,0,0,0,0|2,0,0]=4 8645 B15R0.247 COC(=O)CCCCCSCCOC(=O)N 62a_200011214921_100009816466 [0,2,0,0,0,0|2,0,0]=4 8646 B15R0.247 COC(=O)CCCCNCCCCC(=O)N 34a_100000696515_100000204269 [0,2,0,0,0,0|1,0,0]=3 8647 B15R0.247 COC(=O)CCCCNCCCNC(=O)C 34a_100000736810_100000204269 [0,2,0,0,0,0|1,0,1]=4 8648 B15R0.247 COC(=O)CCCCNCCOCC(=O)O 269956a_100000700818_100000204269 [0,2,0,0,0,0|2,0,0]=4 8649 B15R0.247 COC(=O)CCCCOCCCCB(O)O 34a_100000059025_200009817182 [0,2,0,0,0,0|2,0,0]=4 8650 B15R0.247 COC(=O)CCCCOCCCCB(O)O 7a_100000059025_200009817182 [0,2,0,0,0,0|2,0,0]=4 8651 B15R0.247 COC(=O)CCCCOCCCCC(=O)C 34a_100000059025_100009817362 [0,2,0,0,0,0|0,0,1]=3 8652 B15R0.247 COC(=O)CCCCOCCCCC(=O)C 7a_100000059025_100000735457 [0,2,0,0,0,0|0,0,1]=3 8653 B15R0.247 COC(=O)CCCCOCCCCC(=O)N 34a_100012022536_100000204269 [0,2,0,0,0,0|1,0,0]=3 8654 B15R0.247 COC(=O)CCCCOCCCCC(=O)N 7a_100012022536_100000204269 [0,2,0,0,0,0|1,0,0]=3 8655 B15R0.247 COC(=O)CCCCOCCCCC(C)C 34a_100000059025_100011216152 [0,2,0,0,0,0|0,0,2]=4 8656 B15R0.247 COC(=O)CCCCOCCCCC(C)C 34a_100011214890_100000204269 [0,2,0,0,0,0|0,0,2]=4 8657 B15R0.247 COC(=O)CCCCOCCCCC(C)C 7a_100000059025_100011216152 [0,2,0,0,0,0|0,0,2]=4 8658 B15R0.247 COC(=O)CCCCOCCCCC(C)C 7a_100011214890_100000204269 [0,2,0,0,0,0|0,0,2]=4 8659 B15R0.247 COC(=O)CCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000204269 [0,2,0,0,0,0|2,0,0]=4 8660 B15R0.247 COC(=O)CCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000204269 [0,2,0,0,0,0|2,0,0]=4 8661 B15R0.247 COC(=O)CCCCOCCCNC(=O)C 34a_100000752032_100000204269 [0,2,0,0,0,0|1,0,1]=4 8662 B15R0.247 COC(=O)CCCCOCCCOC(=O)C 34a_100000059025_100000042594 [0,2,0,0,0,0|1,0,1]=4 8663 B15R0.247 COC(=O)CCCCOCCCOC(=O)C 7a_100000059025_100000042594 [0,2,0,0,0,0|1,0,1]=4 8664 B15R0.247 COC(=O)CCCCOCCCOC(=S)C 34a_100000059025_200135323944 [0,2,0,0,0,0|1,0,1]=4 8665 B15R0.247 COC(=O)CCCCOCCCOC(=S)C 7a_100000059025_200135323944 [0,2,0,0,0,0|1,0,1]=4 8666 B15R0.247 COC(=O)CCCCOCCCSC(=O)C 34a_100000059025_100000038929 [0,2,0,0,0,0|1,0,1]=4 8667 B15R0.247 COC(=O)CCCCOCCCSC(=O)C 7a_100000059025_100000038929 [0,2,0,0,0,0|1,0,1]=4 8668 B15R0.247 COC(=O)CCCCOCCOCC(=O)N 34a_100000059025_100000076697 [0,2,0,0,0,0|2,0,0]=4 8669 B15R0.247 COC(=O)CCCCOCCOCC(=O)N 7a_100000059025_100000076697 [0,2,0,0,0,0|2,0,0]=4 8670 B15R0.247 COC(=O)CCCCSCCCCB(O)O 62a_100000204269_200009817182 [0,2,0,0,0,0|2,0,0]=4 8671 B15R0.247 COC(=O)CCCCSCCCCB(O)O 62a_200009817182_100000204269 [0,2,0,0,0,0|2,0,0]=4 8672 B15R0.247 COC(=O)CCCCSCCCCC(=O)C 62a_100000204269_100000735457 [0,2,0,0,0,0|0,0,1]=3 8673 B15R0.247 COC(=O)CCCCSCCCCC(=O)C 62a_100000735457_100000204269 [0,2,0,0,0,0|0,0,1]=3 8674 B15R0.247 COC(=O)CCCCSCCCCC(C)C 62a_100000204269_100011216152 [0,2,0,0,0,0|0,0,2]=4 8675 B15R0.247 COC(=O)CCCCSCCCCC(C)C 62a_100011216152_100000204269 [0,2,0,0,0,0|0,0,2]=4 8676 B15R0.247 COC(=O)CCCCSCCCCN(C)C 62a_100000204269_100000690147 [0,2,0,0,0,0|1,0,1]=4 8677 B15R0.247 COC(=O)CCCCSCCCOC(=O)C 62a_100000042594_100000204269 [0,2,0,0,0,0|1,0,1]=4 8678 B15R0.247 COC(=O)CCCCSCCCOC(=O)C 62a_100000204269_100000042594 [0,2,0,0,0,0|1,0,1]=4 8679 B15R0.247 COC(=O)CCCCSCCCOC(=S)C 62a_100000204269_200135323944 [0,2,0,0,0,0|1,0,1]=4 8680 B15R0.247 COC(=O)CCCCSCCCOC(=S)C 62a_200135323944_100000204269 [0,2,0,0,0,0|1,0,1]=4 8681 B15R0.247 COC(=O)CCCCSCCCSC(=O)C 62a_100000038929_100000204269 [0,2,0,0,0,0|1,0,1]=4 8682 B15R0.247 COC(=O)CCCCSCCCSC(=O)C 62a_100000204269_100000038929 [0,2,0,0,0,0|1,0,1]=4 8683 B15R0.247 COC(=O)CCCCSCCOCC(=O)N 62a_100000076697_100000204269 [0,2,0,0,0,0|2,0,0]=4 8684 B15R0.247 COC(=O)CCCCSCCOCC(=O)N 62a_100000204269_100000076697 [0,2,0,0,0,0|2,0,0]=4 8685 B15R0.247 COC(=O)CCCNCCCCCC(C)C 2230a_100011290863_100011218270 [0,2,0,0,0,0|0,0,2]=4 8686 B15R0.247 COC(=O)CCCNCCCCCC(C)C 34a_100011290863_100000742333 [0,2,0,0,0,0|0,0,2]=4 8687 B15R0.247 COC(=O)CCCNCCCCNC(=O)C 2230a_200011368371_100011218270 [0,2,0,0,0,0|1,0,1]=4 8688 B15R0.247 COC(=O)CCCNCCCCNC(=O)C 34a_200011368371_100000742333 [0,2,0,0,0,0|1,0,1]=4 8689 B15R0.247 COC(=O)CCCOCCCCCC(=O)N 34a_100000123541_100000742333 [0,2,0,0,0,0|1,0,0]=3 8690 B15R0.247 COC(=O)CCCOCCCCCC(=O)N 7a_100000123541_100011218270 [0,2,0,0,0,0|1,0,0]=3 8691 B15R0.247 COC(=O)CCCOCCCCCC(=O)[O-] 7a_100102619762_100011218270 [0,2,0,0,0,0|1,0,0]=3 8692 B15R0.247 COC(=O)CCCOCCCCCC(C)C 34a_100011995859_100000742333 [0,2,0,0,0,0|0,0,2]=4 8693 B15R0.247 COC(=O)CCCOCCCCCC(C)C 7a_100011995859_100011218270 [0,2,0,0,0,0|0,0,2]=4 8694 B15R0.247 COC(=O)CCCOCCCCOC(=O)C 34a_100000073216_100000742333 [0,2,0,0,0,0|1,0,1]=4 8695 B15R0.247 COC(=O)CCCOCCCCOC(=O)C 7a_100000073216_100011218270 [0,2,0,0,0,0|1,0,1]=4 8696 B15R0.247 COC(=O)CCCSCCCCCB(O)O 62a_100011218270_200009817188 [0,2,0,0,0,0|2,0,0]=4 8697 B15R0.247 COC(=O)CCCSCCCCCB(O)O 62a_200009817188_100011218270 [0,2,0,0,0,0|2,0,0]=4 8698 B15R0.247 COC(=O)CCCSCCCCCC(=O)N 62a_100009817443_100011218270 [0,2,0,0,0,0|1,0,0]=3 8699 B15R0.247 COC(=O)CCCSCCCCCC(=O)N 62a_100011218270_100009817443 [0,2,0,0,0,0|1,0,0]=3 8700 B15R0.247 COC(=O)CCCSCCCCCC(C)C 62a_100000210682_100011218270 [0,2,0,0,0,0|0,0,2]=4 8701 B15R0.247 COC(=O)CCCSCCCCCC(C)C 62a_100011218270_100000210682 [0,2,0,0,0,0|0,0,2]=4 8702 B15R0.247 COC(=O)CCCSCCCCOC(=O)C 62a_100000033659_100011218270 [0,2,0,0,0,0|1,0,1]=4 8703 B15R0.247 COC(=O)CCCSCCCCOC(=O)C 62a_100011218270_100000033659 [0,2,0,0,0,0|1,0,1]=4 8704 B15R0.247 COC(=O)CCCSCCCCSC(=O)C 62a_100011218270_200010402107 [0,2,0,0,0,0|1,0,1]=4 8705 B15R0.247 COC(=O)CCCSCCCCSC(=O)C 62a_200010402107_100011218270 [0,2,0,0,0,0|1,0,1]=4 8706 B15R0.247 COC(=O)CCNCCCCCCC(C)C 2230a_100000211014_100000204255 [0,2,0,0,0,0|0,0,2]=4 8707 B15R0.247 COC(=O)CCNCCCCCCC(C)C 34a_100000211014_100000742370 [0,2,0,0,0,0|0,0,2]=4 8708 B15R0.247 COC(=O)CCNCCCCCNC(=O)C 2230a_200012022750_100000204255 [0,2,0,0,0,0|1,0,1]=4 8709 B15R0.247 COC(=O)CCNCCCCCNC(=O)C 34a_200012022750_100000742370 [0,2,0,0,0,0|1,0,1]=4 8710 B15R0.247 COC(=O)CCSCCCCCCB(O)O 62a_100000204255_100009817187 [0,2,0,0,0,0|2,0,0]=4 8711 B15R0.247 COC(=O)CCSCCCCCCB(O)O 62a_100009817187_100000204255 [0,2,0,0,0,0|2,0,0]=4 8712 B15R0.247 COC(=O)CCSCCCCCOC(=O)C 62a_100000033007_100000204255 [0,2,0,0,0,0|1,0,1]=4 8713 B15R0.247 COC(=O)CCSCCCCCOC(=O)C 62a_100000204255_100000033007 [0,2,0,0,0,0|1,0,1]=4 8714 B15R0.247 COC(=O)CNCCCCCCNC(=O)C 2230a_200011996284_100000747449 [0,2,0,0,0,0|1,0,1]=4 8715 B15R0.247 COC(=O)CNCCCCCCNC(=O)C 34a_200011996284_100000747449 [0,2,0,0,0,0|1,0,1]=4 8716 B15R0.247 COC(=O)COCCCCCCCC(C)C 34a_200000210741_100000747449 [0,2,0,0,0,0|0,0,2]=4 8717 B15R0.247 COC(=O)COCCCCCCCC(C)C 7a_200000210741_100000747449 [0,2,0,0,0,0|0,0,2]=4 8718 B15R0.247 COC(=O)COCCNCCCCC(=O)N 34a_100000696515_100000090808 [0,2,0,0,0,0|2,0,0]=4 8719 B15R0.247 COC(=O)COCCOCCCCC(=O)N 34a_100012022536_100000090808 [0,2,0,0,0,0|2,0,0]=4 8720 B15R0.247 COC(=O)COCCOCCCCC(=O)N 7a_100012022536_100000090808 [0,2,0,0,0,0|2,0,0]=4 8721 B15R0.247 COC(=O)COCCSCCCCC(=O)C 62a_100000090808_100000735457 [0,2,0,0,0,0|1,0,1]=4 8722 B15R0.247 COC(=O)COCCSCCCCC(=O)C 62a_100000735457_100000090808 [0,2,0,0,0,0|1,0,1]=4 8723 B15R0.247 COC(=O)NCCOCCCCCC(=O)N 34a_100000757965_100009817443 [0,2,0,0,0,0|2,0,0]=4 8724 B15R0.247 COC(=O)OCCOCCCCCC(=O)N 34a_100010262106_100009817443 [0,2,0,0,0,0|2,0,0]=4 8725 B15R0.253 C=CCCCCCCCOCC(CC)OC 34a_100011934954_100012355270 [0,2,0,0,0,0|1,0,1]=4 8726 B15R0.253 C=CCCCCCCCOCC(CC)OC 7a_100011934954_100012355270 [0,2,0,0,0,0|1,0,1]=4 8727 B15R0.253 C=CCCCCCCCOCC(OC)OC 34a_100000730831_100000211822 [0,2,0,0,0,0|0,0,2]=4 8728 B15R0.253 C=CCCCCCCCOCC(OC)OC 34a_100011216393_100012355270 [0,2,0,0,0,0|0,0,2]=4 8729 B15R0.253 C=CCCCCCCCOCC(OC)OC 7a_100000730831_100000751394 [0,2,0,0,0,0|0,0,2]=4 8730 B15R0.253 C=CCCCCCCCSCC(OC)OC 62a_100000751394_100012355270 [0,2,0,0,0,0|0,0,2]=4 8731 B15R0.253 C=CCCCCCCCSCC(OC)OC 62a_100012355270_100000751394 [0,2,0,0,0,0|0,0,2]=4 8732 B15R0.253 C=CCCCCCCOCCC(OC)OC 34a_200011216477_100000139399 [0,2,0,0,0,0|0,0,2]=4 8733 B15R0.253 C=CCCCCCCOCCC(OC)OC 7a_200011216477_100009813347 [0,2,0,0,0,0|0,0,2]=4 8734 B15R0.253 C=CCCCCCCSCCC(OC)OC 62a_100000139399_100011215473 [0,2,0,0,0,0|0,0,2]=4 8735 B15R0.253 C=CCCCCCCSCCC(OC)OC 62a_100011215473_100000139399 [0,2,0,0,0,0|0,0,2]=4 8736 B15R0.253 C=CCCCCCOCCCC(OC)OC 34a_100011216702_100000069011 [0,2,0,0,0,0|0,0,2]=4 8737 B15R0.253 C=CCCCCCOCCCC(OC)OC 7a_100011216702_100000069011 [0,2,0,0,0,0|0,0,2]=4 8738 B15R0.253 C=CCCCCCSCCCC(OC)OC 62a_100000069011_100000700193 [0,2,0,0,0,0|0,0,2]=4 8739 B15R0.253 C=CCCCCCSCCCC(OC)OC 62a_100000700193_100000069011 [0,2,0,0,0,0|0,0,2]=4 8740 B15R0.253 C=CCCCCOCCCCN(CC)N=O 34a_200000035056_100011215482 [0,2,0,0,0,0|2,0,0]=4 8741 B15R0.254 C=CCCCCCCCNCC(C)(C)OC 2230a_100000763424_100012355270 [0,2,0,0,0,0|1,0,1]=4 8742 B15R0.254 C=CCCCCCCCOCC(C)(C)OC 34a_100000730831_100000701081 [0,2,0,0,0,0|1,0,1]=4 8743 B15R0.254 C=CCCCCCCCSCC(C)(C)OC 62a_100000701081_100012355270 [0,2,0,0,0,0|1,0,1]=4 8744 B15R0.254 C=CCCCCCCCSCC(C)(C)OC 62a_100012355270_100000701081 [0,2,0,0,0,0|1,0,1]=4 8745 B15R0.254 C=CCCCCCCNCCS(=O)(=O)CC 2230a_100000751051_100011215473 [0,2,0,0,0,0|2,0,0]=4 8746 B15R0.254 C=CCCCCCCNCCS(=O)(=O)CC 34a_100000751051_100011215473 [0,2,0,0,0,0|2,0,0]=4 8747 B15R0.254 C=CCCCCCCNCCS(=O)(=O)NC 2230a_100000710037_100011215473 [0,2,0,0,0,0|2,0,0]=4 8748 B15R0.254 C=CCCCCCCNCCS(=O)(=O)NC 34a_100000710037_100011215473 [0,2,0,0,0,0|2,0,0]=4 8749 B15R0.254 C=CCCCCCCOCCC(C)(C)OC 7a_100000699976_100011215473 [0,2,0,0,0,0|1,0,1]=4 8750 B15R0.254 C=CCCCCCCOCCS(=O)(=O)CC 34a_200011216379_100011215473 [0,2,0,0,0,0|2,0,0]=4 8751 B15R0.254 C=CCCCCCCOCCS(=O)(=O)CC 34a_200011216477_100000756660 [0,2,0,0,0,0|2,0,0]=4 8752 B15R0.254 C=CCCCCCCOCCS(=O)(=O)CC 7a_200011216379_100011215473 [0,2,0,0,0,0|2,0,0]=4 8753 B15R0.254 C=CCCCCCCOCCS(=O)(=O)CC 7a_200011216477_100000756660 [0,2,0,0,0,0|2,0,0]=4 8754 B15R0.254 C=CCCCCCCSCCS(=O)(=O)CC 62a_100000756660_100011215473 [0,2,0,0,0,0|2,0,0]=4 8755 B15R0.254 C=CCCCCCCSCCS(=O)(=O)CC 62a_100011215473_100000756660 [0,2,0,0,0,0|2,0,0]=4 8756 B15R0.366 C#CCC(=O)CCCCCCCCCC=C 1458a_100011220946_100009814027 [0,2,0,0,0,0|1,0,1]=4 8757 B15R0.366 C#CCCCCCCCOCC(=O)OCC 34a_100000054614_100000188475 [0,2,0,0,0,0|0,0,2]=4 8758 B15R0.366 C#CCCCCCCCOCC(=O)OCC 7a_100000054614_100000188475 [0,2,0,0,0,0|0,0,2]=4 8759 B15R0.366 C#CCCCCCCCSCC(=O)OCC 62a_100000188475_100153394163 [0,2,0,0,0,0|0,0,2]=4 8760 B15R0.366 C#CCCCCCCCSCC(=O)OCC 62a_100153394163_100000188475 [0,2,0,0,0,0|0,0,2]=4 8761 B15R0.366 C#CCCCCCCOCCC(=O)OCC 34a_100011217361_100000765890 [0,2,0,0,0,0|0,0,2]=4 8762 B15R0.366 C#CCCCCCCOCCC(=O)OCC 7a_100011217361_100011206558 [0,2,0,0,0,0|0,0,2]=4 8763 B15R0.366 C#CCCCCCCSCCC(=O)OCC 62a_100000765890_100012276617 [0,2,0,0,0,0|0,0,2]=4 8764 B15R0.366 C#CCCCCCCSCCC(=O)OCC 62a_100012276617_100000765890 [0,2,0,0,0,0|0,0,2]=4 8765 B15R0.366 C#CCCCCCOCCCC(=O)OCC 34a_100000766912_100009991533 [0,2,0,0,0,0|0,0,2]=4 8766 B15R0.366 C#CCCCCCOCCCC(=O)OCC 7a_100000766912_100011215271 [0,2,0,0,0,0|0,0,2]=4 8767 B15R0.366 C#CCCCCCOCCCC(=O)OCC 7a_100012001163_100012094781 [0,2,0,0,0,0|0,0,2]=4 8768 B15R0.366 C#CCCCCCSCCCC(=O)OCC 62a_100009991533_100012094781 [0,2,0,0,0,0|0,0,2]=4 8769 B15R0.366 C#CCCCCCSCCCC(=O)OCC 62a_100012094781_100009991533 [0,2,0,0,0,0|0,0,2]=4 8770 B15R0.366 C#CCCCCNCCCCC(=O)OCC 2230a_100000706060_100000750268 [0,2,0,0,0,0|0,0,2]=4 8771 B15R0.366 C#CCCCCNCCCCC(=O)OCC 34a_100000706060_100000750268 [0,2,0,0,0,0|0,0,2]=4 8772 B15R0.366 C#CCCCCOCCCCC(=O)OCC 34a_100000766709_100000750268 [0,2,0,0,0,0|0,0,2]=4 8773 B15R0.366 C#CCCCCOCCCCC(=O)OCC 7a_100000766709_100000750268 [0,2,0,0,0,0|0,0,2]=4 8774 B15R0.366 C#CCCCCSCCCCC(=O)OCC 62a_100000750268_100010269958 [0,2,0,0,0,0|0,0,2]=4 8775 B15R0.366 C#CCCCCSCCCCC(=O)OCC 62a_100010269958_100000750268 [0,2,0,0,0,0|0,0,2]=4 8776 B15R0.366 C#CCCCNCCCCCC(=O)OCC 34a_100000718082_100000755133 [0,2,0,0,0,0|0,0,2]=4 8777 B15R0.366 C#CCCCOCCCCCC(=O)OCC 34a_100000215630_100000755133 [0,2,0,0,0,0|0,0,2]=4 8778 B15R0.366 C#CCCCOCCCCCC(=O)OCC 7a_100000215630_100000755133 [0,2,0,0,0,0|0,0,2]=4 8779 B15R0.366 C#CCCCOCCCCCC(=O)OCC 7a_100011214988_100011215417 [0,2,0,0,0,0|0,0,2]=4 8780 B15R0.366 C#CCCCSCCCCCC(=O)OCC 62a_100000755133_100011215417 [0,2,0,0,0,0|0,0,2]=4 8781 B15R0.366 C#CCCCSCCCCCC(=O)OCC 62a_100011215417_100000755133 [0,2,0,0,0,0|0,0,2]=4 8782 B15R0.366 C#CCCNCCCCCCC(=O)OCC 34a_100000755551_100009814379 [0,2,0,0,0,0|0,0,2]=4 8783 B15R0.366 C#CCCOCCCCCCC(=O)OCC 34a_100011215631_100009814379 [0,2,0,0,0,0|0,0,2]=4 8784 B15R0.366 C#CCCSCCCCCCC(=O)OCC 62a_100000688953_100009814379 [0,2,0,0,0,0|0,0,2]=4 8785 B15R0.366 C#CCNCCCCCCCC(=O)OCC 34a_100000212058_100009991516 [0,2,0,0,0,0|0,0,2]=4 8786 B15R0.366 C#CCOCCCCCCCC(=O)OCC 34a_100000210247_100009991516 [0,2,0,0,0,0|0,0,2]=4 8787 B15R0.366 C#CCSCCCCCCCC(=O)OCC 62a_100000038162_100009991516 [0,2,0,0,0,0|0,0,2]=4 8788 B15R0.366 C/C=C/CCOCCCCCC(=O)OCC 34a_100016278192_100000755133 [0,2,0,0,0,0|1,0,0]=3 8789 B15R0.366 C/C=C/CCOCCCOCC(=O)OCC 34a_100016278192_100009893628 [0,2,0,0,0,0|2,0,0]=4 8790 B15R0.366 C/C=C/COCCCCCCC(=O)OCC 34a_100016270725_100009814379 [0,2,0,0,0,0|1,0,0]=3 8791 B15R0.366 C/C=C/CSCCCCCCC(=O)OCC 62a_100102629194_100009814379 [0,2,0,0,0,0|1,0,0]=3 8792 B15R0.366 C=CCCC/C=C/COCCC(=O)OCC 34a_200016268473_100000765890 [0,2,0,0,0,0|0,0,2]=4 8793 B15R0.366 C=CCCC/C=C/COCCC(=O)OCC 7a_200016268473_100011206558 [0,2,0,0,0,0|0,0,2]=4 8794 B15R0.366 C=CCCCCCCCCCC(=O)C#CC 1458a_100000763181_100009814027 [0,2,0,0,0,0|1,0,0]=3 8795 B15R0.366 C=CCCCCCCCCCC(=O)C=CBr 1458a_100016273825_100009814027 [0,2,0,0,0,0|1,0,1]=4 8796 B15R0.366 C=CCCCCCCCCCC(=O)C=CC 1458a_100000210699_100009814027 [0,2,0,0,0,0|1,0,0]=3 8797 B15R0.366 C=CCCCCCCCCCC(=O)C=CCl 1458a_200016279998_100009814027 [0,2,0,0,0,0|1,0,1]=4 8798 B15R0.366 C=CCCCCCCCCCC(=O)C=CI 1458a_100016256311_100009814027 [0,2,0,0,0,0|1,0,1]=4 8799 B15R0.366 C=CCCCCCCCCCC(=O)CC#N 1458a_100051588842_100009814027 [0,2,0,0,0,0|1,0,1]=4 8800 B15R0.366 C=CCCCCCCCCCC(=O)CC=C 1458a_100000210193_100009814027 [0,2,0,0,0,0|1,0,1]=4 8801 B15R0.366 C=CCCCCCCCCCC(=O)CCC 1458a_100000211992_100009814027 [0,2,0,0,0,0|1,0,0]=3 8802 B15R0.366 C=CCCCCCCCCCC(=O)CCO 1458a_100011216618_100009814027 [0,2,0,0,0,0|1,0,0]=3 8803 B15R0.366 C=CCCCCCCCCCC(=O)COC 1458a_100000210968_100009814027 [0,2,0,0,0,0|0,0,0]=2 8804 B15R0.366 C=CCCCCCCCCCC(=O)CSC 1458a_100000184570_100009814027 [0,2,0,0,0,0|0,1,0]=3 8805 B15R0.366 C=CCCCCCCCCN[C@H](C)COC 2230a_100000764878_100011933949 [0,2,0,0,0,0|1,0,1]=4 8806 B15R0.366 C=CCCCCCCCCOC(C)COC 34a_100011215194_100000765312 [0,2,0,0,0,0|1,0,1]=4 8807 B15R0.366 C=CCCCCCCCCOC(C)COC 7a_100011215194_100000765312 [0,2,0,0,0,0|1,0,1]=4 8808 B15R0.366 C=CCCCCCCCCO[C@H](C)COC 34a_100011934205_100011933949 [0,2,0,0,0,0|1,0,1]=4 8809 B15R0.366 C=CCCCCCCCCSC(C)COC 62a_100000765312_100011933949 [0,2,0,0,0,0|1,0,1]=4 8810 B15R0.366 C=CCCCCCCCCSC(C)COC 62a_100011933949_100000765312 [0,2,0,0,0,0|1,0,1]=4 8811 B15R0.366 C=CCCCCCCCNCC(=O)NCC 2230a_100016988866_100012355270 [0,2,0,0,0,0|1,0,0]=3 8812 B15R0.366 C=CCCCCCCCNCC(O)COC 2230a_100000756049_100012355270 [0,2,0,0,0,0|0,0,2]=4 8813 B15R0.366 C=CCCCCCCCNCC(O)COC 34a_100000756049_100012355270 [0,2,0,0,0,0|0,0,2]=4 8814 B15R0.366 C=CCCCCCCCOCC(=O)CCC 7a_100000730831_100000747444 [0,2,0,0,0,0|1,0,0]=3 8815 B15R0.366 C=CCCCCCCCOCC(=O)NCC 34a_100000730831_100000183381 [0,2,0,0,0,0|1,0,0]=3 8816 B15R0.366 C=CCCCCCCCOCC(=O)NCC 7a_100000730831_100000183381 [0,2,0,0,0,0|1,0,0]=3 8817 B15R0.366 C=CCCCCCCCOCC(=O)NCO 34a_100000730831_100000185155 [0,2,0,0,0,0|1,0,0]=3 8818 B15R0.366 C=CCCCCCCCOCC(=O)NCO 7a_100000730831_100000185155 [0,2,0,0,0,0|1,0,0]=3 8819 B15R0.366 C=CCCCCCCCOCC(=O)OC=C 34a_100000730831_100000036128 [0,2,0,0,0,0|0,0,1]=3 8820 B15R0.366 C=CCCCCCCCOCC(=O)OCC 34a_100000730831_100000188475 [0,2,0,0,0,0|0,0,0]=2 8821 B15R0.366 C=CCCCCCCCOCC(=O)OCC 7a_100000730831_100000188475 [0,2,0,0,0,0|0,0,0]=2 8822 B15R0.366 C=CCCCCCCCOCC(N)COC 34a_100000724102_100012355270 [0,2,0,0,0,0|1,0,1]=4 8823 B15R0.366 C=CCCCCCCCOCC(O)COC 34a_100000730831_100011215053 [0,2,0,0,0,0|0,0,2]=4 8824 B15R0.366 C=CCCCCCCCOCC(O)COC 7a_100000730831_100011215053 [0,2,0,0,0,0|0,0,2]=4 8825 B15R0.366 C=CCCCCCCCSCC(=O)CCC 62a_100000747444_100012355270 [0,2,0,0,0,0|1,0,0]=3 8826 B15R0.366 C=CCCCCCCCSCC(=O)CCC 62a_100012355270_100000747444 [0,2,0,0,0,0|1,0,0]=3 8827 B15R0.366 C=CCCCCCCCSCC(=O)NCC 62a_100000183381_100012355270 [0,2,0,0,0,0|1,0,0]=3 8828 B15R0.366 C=CCCCCCCCSCC(=O)NCC 62a_100012355270_100000183381 [0,2,0,0,0,0|1,0,0]=3 8829 B15R0.366 C=CCCCCCCCSCC(=O)NCO 62a_100000185155_100012355270 [0,2,0,0,0,0|1,0,0]=3 8830 B15R0.366 C=CCCCCCCCSCC(=O)NCO 62a_100012355270_100000185155 [0,2,0,0,0,0|1,0,0]=3 8831 B15R0.366 C=CCCCCCCCSCC(=O)OC=C 62a_100000036128_100012355270 [0,2,0,0,0,0|0,0,1]=3 8832 B15R0.366 C=CCCCCCCCSCC(=O)OC=C 62a_100012355270_100000036128 [0,2,0,0,0,0|0,0,1]=3 8833 B15R0.366 C=CCCCCCCCSCC(=O)OCC 62a_100000188475_100012355270 [0,2,0,0,0,0|0,0,0]=2 8834 B15R0.366 C=CCCCCCCCSCC(=O)OCC 62a_100012355270_100000188475 [0,2,0,0,0,0|0,0,0]=2 8835 B15R0.366 C=CCCCCCCCSCC(O)COC 62a_100011215053_100012355270 [0,2,0,0,0,0|0,0,2]=4 8836 B15R0.366 C=CCCCCCCCSCC(O)COC 62a_100012355270_100011215053 [0,2,0,0,0,0|0,0,2]=4 8837 B15R0.366 C=CCCCCCCNCCC(=O)NCC 34a_100025743525_100011215473 [0,2,0,0,0,0|1,0,0]=3 8838 B15R0.366 C=CCCCCCCOCCC(=O)NCC 7a_200011216477_100000737597 [0,2,0,0,0,0|1,0,0]=3 8839 B15R0.366 C=CCCCCCCOCCC(=O)OCC 34a_200011216477_100000765890 [0,2,0,0,0,0|0,0,0]=2 8840 B15R0.366 C=CCCCCCCOCCC(=O)OCC 7a_200011216477_100011206558 [0,2,0,0,0,0|0,0,0]=2 8841 B15R0.366 C=CCCCCCCOCOC(=O)CCC 34a_200011216477_100000034017 [0,2,0,0,0,0|2,0,0]=4 8842 B15R0.366 C=CCCCCCCSCCC(=O)NCC 62a_100000737597_100011215473 [0,2,0,0,0,0|1,0,0]=3 8843 B15R0.366 C=CCCCCCCSCCC(=O)NCC 62a_100011215473_100000737597 [0,2,0,0,0,0|1,0,0]=3 8844 B15R0.366 C=CCCCCCCSCCC(=O)OCC 62a_100000765890_100011215473 [0,2,0,0,0,0|0,0,0]=2 8845 B15R0.366 C=CCCCCCCSCCC(=O)OCC 62a_100011215473_100000765890 [0,2,0,0,0,0|0,0,0]=2 8846 B15R0.366 C=CCCCCCCSCOC(=O)CCC 62a_100011215473_100000034017 [0,2,0,0,0,0|2,0,0]=4 8847 B15R0.366 C=CCCCCCCSCOC(=O)OCC 62a_100011215473_100000075025 [0,2,0,0,0,0|1,0,0]=3 8848 B15R0.366 C=CCCCCCOC/C=C/C(=O)OCC 34a_100011216702_100016267167 [0,2,0,0,0,0|0,0,2]=4 8849 B15R0.366 C=CCCCCCOC/C=C/C(=O)OCC 7a_100011216702_100016267167 [0,2,0,0,0,0|0,0,2]=4 8850 B15R0.366 C=CCCCCCOCCCC(=O)OCC 34a_100011216702_100009991533 [0,2,0,0,0,0|0,0,0]=2 8851 B15R0.366 C=CCCCCCOCCCC(=O)OCC 7a_100011216702_100011215271 [0,2,0,0,0,0|0,0,0]=2 8852 B15R0.366 C=CCCCCCOCCCC(=O)OCC 7a_100012001163_100000700193 [0,2,0,0,0,0|0,0,0]=2 8853 B15R0.366 C=CCCCCCOCCNC(=O)OCC 34a_100000158857_100000700193 [0,2,0,0,0,0|1,0,0]=3 8854 B15R0.366 C=CCCCCCOCCNC(=O)OCC 7a_100011216702_200011445536 [0,2,0,0,0,0|1,0,0]=3 8855 B15R0.366 C=CCCCCCSC/C=C/C(=O)OCC 62a_100000700193_100016267167 [0,2,0,0,0,0|0,0,2]=4 8856 B15R0.366 C=CCCCCCSC/C=C/C(=O)OCC 62a_100016267167_100000700193 [0,2,0,0,0,0|0,0,2]=4 8857 B15R0.366 C=CCCCCCSCCCC(=O)OCC 62a_100000700193_100009991533 [0,2,0,0,0,0|0,0,0]=2 8858 B15R0.366 C=CCCCCCSCCCC(=O)OCC 62a_100009991533_100000700193 [0,2,0,0,0,0|0,0,0]=2 8859 B15R0.366 C=CCCCCCSCCNC(=O)OCC 62a_100000700193_200011445536 [0,2,0,0,0,0|1,0,0]=3 8860 B15R0.366 C=CCCCCNCCCCC(=O)OCC 2230a_100000703577_100000750268 [0,2,0,0,0,0|0,0,0]=2 8861 B15R0.366 C=CCCCCNCCCCC(=O)OCC 34a_100000703577_100000750268 [0,2,0,0,0,0|0,0,0]=2 8862 B15R0.366 C=CCCCCNCCOCC(=O)OCC 2230a_100000703577_100000088970 [0,2,0,0,0,0|1,0,0]=3 8863 B15R0.366 C=CCCCCNCCOCC(=O)OCC 34a_100000703577_100000088970 [0,2,0,0,0,0|1,0,0]=3 8864 B15R0.366 C=CCCCCOCCCCC(=O)OCC 34a_100000766645_100000750268 [0,2,0,0,0,0|0,0,0]=2 8865 B15R0.366 C=CCCCCOCCCCC(=O)OCC 7a_100000766645_100000750268 [0,2,0,0,0,0|0,0,0]=2 8866 B15R0.366 C=CCCCCOCCOCC(=O)OCC 34a_100000766645_100000088970 [0,2,0,0,0,0|1,0,0]=3 8867 B15R0.366 C=CCCCCOCCOCC(=O)OCC 7a_100000766645_100000088970 [0,2,0,0,0,0|1,0,0]=3 8868 B15R0.366 C=CCCCCOCCSCC(=O)OCC 7a_200000230590_100011215482 [0,2,0,0,0,0|1,0,0]=3 8869 B15R0.366 C=CCCCCSCCCCC(=O)OCC 62a_100000750268_100011215482 [0,2,0,0,0,0|0,0,0]=2 8870 B15R0.366 C=CCCCCSCCCCC(=O)OCC 62a_100011215482_100000750268 [0,2,0,0,0,0|0,0,0]=2 8871 B15R0.366 C=CCCCCSCCOCC(=O)OCC 62a_100000088970_100011215482 [0,2,0,0,0,0|1,0,0]=3 8872 B15R0.366 C=CCCCCSCCOCC(=O)OCC 62a_100011215482_100000088970 [0,2,0,0,0,0|1,0,0]=3 8873 B15R0.366 C=CCCCNCCCCCC(=O)OCC 2230a_100000700776_100000755133 [0,2,0,0,0,0|0,0,0]=2 8874 B15R0.366 C=CCCCNCCCCCC(=O)OCC 34a_100000700776_100000755133 [0,2,0,0,0,0|0,0,0]=2 8875 B15R0.366 C=CCCCNCCCOCC(=O)OCC 2230a_100000700776_100009893628 [0,2,0,0,0,0|1,0,0]=3 8876 B15R0.366 C=CCCCNCCCOCC(=O)OCC 34a_100000700776_100009893628 [0,2,0,0,0,0|1,0,0]=3 8877 B15R0.366 C=CCCCOCCCCCC(=O)OCC 34a_100000758997_100000755133 [0,2,0,0,0,0|0,0,0]=2 8878 B15R0.366 C=CCCCOCCCCCC(=O)OCC 7a_100000758997_100000755133 [0,2,0,0,0,0|0,0,0]=2 8879 B15R0.366 C=CCCCOCCCCCC(=O)OCC 7a_100011214988_100000757094 [0,2,0,0,0,0|0,0,0]=2 8880 B15R0.366 C=CCCCOCCCOCC(=O)OCC 34a_100000758997_100009893628 [0,2,0,0,0,0|1,0,0]=3 8881 B15R0.366 C=CCCCOCCCOCC(=O)OCC 7a_100000758997_100009893628 [0,2,0,0,0,0|1,0,0]=3 8882 B15R0.366 C=CCCCSCCCCCC(=O)OCC 62a_100000755133_100000757094 [0,2,0,0,0,0|0,0,0]=2 8883 B15R0.366 C=CCCCSCCCCCC(=O)OCC 62a_100011713584_100000755133 [0,2,0,0,0,0|0,0,0]=2 8884 B15R0.366 C=CCCCSCCCOCC(=O)OCC 62a_100009893628_100000757094 [0,2,0,0,0,0|1,0,0]=3 8885 B15R0.366 C=CCCCSCCCOCC(=O)OCC 62a_100011713584_100009893628 [0,2,0,0,0,0|1,0,0]=3 8886 B15R0.366 C=CCCNCCCCCCC(=O)OCC 2230a_100015191253_100009814379 [0,2,0,0,0,0|0,0,0]=2 8887 B15R0.366 C=CCCOCCCCCCC(=O)OCC 34a_100011205117_100009814379 [0,2,0,0,0,0|0,0,0]=2 8888 B15R0.366 C=CCCSCCCCCCC(=O)OCC 62a_100000754431_100009814379 [0,2,0,0,0,0|0,0,0]=2 8889 B15R0.366 C=CCNCCCCCCCC(=O)OCC 2230a_100020586998_100009991516 [0,2,0,0,0,0|0,0,0]=2 8890 B15R0.366 C=CCOCCCCCCCC(=O)OCC 34a_200000210373_100009991516 [0,2,0,0,0,0|0,0,0]=2 8891 B15R0.366 C=CCOCCOCCCCC(=O)OCC 34a_100000037705_100000750268 [0,2,0,0,0,0|1,0,0]=3 8892 B15R0.366 C=CCOCCOCCCCC(=O)OCC 7a_100000037705_100000750268 [0,2,0,0,0,0|1,0,0]=3 8893 B15R0.366 C=CCOCCOCCOCC(=O)OCC 34a_100000037705_100000088970 [0,2,0,0,0,0|2,0,0]=4 8894 B15R0.366 C=CCOCCOCCOCC(=O)OCC 34a_100000065479_100000188475 [0,2,0,0,0,0|2,0,0]=4 8895 B15R0.366 C=CCOCCOCCOCC(=O)OCC 7a_100000037705_100000088970 [0,2,0,0,0,0|2,0,0]=4 8896 B15R0.366 C=CCOCCOCCOCC(=O)OCC 7a_100000065479_100000188475 [0,2,0,0,0,0|2,0,0]=4 8897 B15R0.366 C=CCSCCCCCCCC(=O)OCC 62a_100000210623_100009991516 [0,2,0,0,0,0|0,0,0]=2 8898 B15R0.366 C=COCCCCOCCCC(=O)OCC 34a_100000031558_100009991533 [0,2,0,0,0,0|1,0,0]=3 8899 B15R0.366 C=COCCCCOCCCC(=O)OCC 7a_100000031558_100011215271 [0,2,0,0,0,0|1,0,0]=3 8900 B15R0.366 C=COCCCCOCCNC(=O)OCC 7a_100000031558_200011445536 [0,2,0,0,0,0|2,0,0]=4 8901 B15R0.366 C=COCCCNCCCCC(=O)OCC 2230a_100000210767_100000750268 [0,2,0,0,0,0|1,0,0]=3 8902 B15R0.366 C=COCCCNCCCCC(=O)OCC 34a_100000210767_100000750268 [0,2,0,0,0,0|1,0,0]=3 8903 B15R0.366 C=COCCCNCCOCC(=O)OCC 2230a_100000210767_100000088970 [0,2,0,0,0,0|2,0,0]=4 8904 B15R0.366 C=COCCCNCCOCC(=O)OCC 34a_100000210767_100000088970 [0,2,0,0,0,0|2,0,0]=4 8905 B15R0.366 C=COCCOCCCCCC(=O)OCC 34a_100000033082_100000755133 [0,2,0,0,0,0|1,0,0]=3 8906 B15R0.366 C=COCCOCCCCCC(=O)OCC 7a_100011214988_100000039644 [0,2,0,0,0,0|1,0,0]=3 8907 B15R0.366 C=COCCOCCCOCC(=O)OCC 34a_100000033082_100009893628 [0,2,0,0,0,0|2,0,0]=4 8908 B15R0.366 C=COCCOCCOCCC(=O)OCC 34a_100000039918_100000765890 [0,2,0,0,0,0|2,0,0]=4 8909 B15R0.366 C=COCCOCCOCCC(=O)OCC 7a_100000039918_100011206558 [0,2,0,0,0,0|2,0,0]=4 8910 B15R0.366 C=COCCSCCCCCC(=O)OCC 62a_100000039644_100000755133 [0,2,0,0,0,0|1,0,0]=3 8911 B15R0.366 C=COCCSCCCCCC(=O)OCC 62a_100000755133_100000039644 [0,2,0,0,0,0|1,0,0]=3 8912 B15R0.366 C=COCCSCCCOCC(=O)OCC 62a_100000039644_100009893628 [0,2,0,0,0,0|2,0,0]=4 8913 B15R0.366 C=COCCSCCCOCC(=O)OCC 62a_100009893628_100000039644 [0,2,0,0,0,0|2,0,0]=4 8914 B15R0.366 CC=CCCCOCCCCC(=O)OCC 34a_100020645299_100000750268 [0,2,0,0,0,0|1,0,0]=3 8915 B15R0.366 CC=CCCCOCCOCC(=O)OCC 34a_100020645299_100000088970 [0,2,0,0,0,0|2,0,0]=4 8916 B15R0.366 CC=CCSCCCCCCC(=O)OCC 62a_100000070051_100009814379 [0,2,0,0,0,0|1,0,0]=3 8917 B15R0.366 CCCCCCCCCCCC(=O)COC 1458a_100000210968_100011215454 [0,2,0,0,0,0|0,0,2]=4 8918 B15R0.366 CCCCCCCCCCNC(=O)COC 11a_100000684558_100000210968 [0,2,0,0,0,0|0,0,2]=4 8919 B15R0.366 CCCCCCCCCCNC(=O)COC 1626a_100000684558_100000210968 [0,2,0,0,0,0|0,0,2]=4 8920 B15R0.366 CCCCCCCCCCNC(=O)COC 240690a_100000684558_100000210968 [0,2,0,0,0,0|0,0,2]=4 8921 B15R0.366 CCCCCCCCCCNC(=O)COC 527a_100000684558_100000210968 [0,2,0,0,0,0|0,0,2]=4 8922 B15R0.366 CCCCCCCCCCOC(=O)COC 34a_100138415774_100000210668 [0,2,0,0,0,0|0,0,2]=4 8923 B15R0.366 CCCCCCCCCNCC(=O)OCC 2230a_100000212291_100000188475 [0,2,0,0,0,0|0,0,2]=4 8924 B15R0.366 CCCCCCCCCNCC(=O)OCC 34a_100000212291_100000188475 [0,2,0,0,0,0|0,0,2]=4 8925 B15R0.366 CCCCCCCCCOCC(=O)OCC 34a_100000210712_100000188475 [0,2,0,0,0,0|0,0,2]=4 8926 B15R0.366 CCCCCCCCCOCC(=O)OCC 7a_100000210712_100000188475 [0,2,0,0,0,0|0,0,2]=4 8927 B15R0.366 CCCCCCCCCSCC(=O)OCC 62a_100000188475_100000210670 [0,2,0,0,0,0|0,0,2]=4 8928 B15R0.366 CCCCCCCCNCCC(=O)OCC 2230a_100000229939_100011206558 [0,2,0,0,0,0|0,0,2]=4 8929 B15R0.366 CCCCCCCCNCCC(=O)OCC 34a_100000229939_100000765890 [0,2,0,0,0,0|0,0,2]=4 8930 B15R0.366 CCCCCCCCOCCC(=O)OCC 34a_100000210232_100000765890 [0,2,0,0,0,0|0,0,2]=4 8931 B15R0.366 CCCCCCCCOCCC(=O)OCC 7a_100000210232_100011206558 [0,2,0,0,0,0|0,0,2]=4 8932 B15R0.366 CCCCCCCCSCCC(=O)OCC 62a_100000210759_100000765890 [0,2,0,0,0,0|0,0,2]=4 8933 B15R0.366 CCCCCCCCSCCC(=O)OCC 62a_100000765890_100000210317 [0,2,0,0,0,0|0,0,2]=4 8934 B15R0.366 CCCCCCCNCCCC(=O)OCC 2230a_100000229938_100009991533 [0,2,0,0,0,0|0,0,2]=4 8935 B15R0.366 CCCCCCCOCCCC(=O)OCC 34a_100000210272_100009991533 [0,2,0,0,0,0|0,0,2]=4 8936 B15R0.366 CCCCCCCOCCCC(=O)OCC 7a_100000210272_100011215271 [0,2,0,0,0,0|0,0,2]=4 8937 B15R0.366 CCCCCCCOCCCC(=O)OCC 7a_100012001163_100000210614 [0,2,0,0,0,0|0,0,2]=4 8938 B15R0.366 CCCCCCCSCCCC(=O)OCC 62a_100000210614_100009991533 [0,2,0,0,0,0|0,0,2]=4 8939 B15R0.366 CCCCCCCSCCCC(=O)OCC 62a_100009991533_100000210316 [0,2,0,0,0,0|0,0,2]=4 8940 B15R0.366 CCCCCCNCCCCC(=O)OCC 2230a_100000210581_100000750268 [0,2,0,0,0,0|0,0,2]=4 8941 B15R0.366 CCCCCCOCCCCC(=O)OCC 34a_100000210259_100000750268 [0,2,0,0,0,0|0,0,2]=4 8942 B15R0.366 CCCCCCOCCCCC(=O)OCC 7a_100000210259_100000750268 [0,2,0,0,0,0|0,0,2]=4 8943 B15R0.366 CCCCCCSCCCCC(=O)OCC 62a_100000210314_100000750268 [0,2,0,0,0,0|0,0,2]=4 8944 B15R0.366 CCCCCCSCCCCC(=O)OCC 62a_100000750268_100000210757 [0,2,0,0,0,0|0,0,2]=4 8945 B15R0.366 CCCCCNCCCCCC(=O)OCC 2230a_100000209983_100000755133 [0,2,0,0,0,0|0,0,2]=4 8946 B15R0.366 CCCCCOCCCCCC(=O)OCC 34a_100000210253_100000755133 [0,2,0,0,0,0|0,0,2]=4 8947 B15R0.366 CCCCCOCCCCCC(=O)OCC 7a_100000210253_100000755133 [0,2,0,0,0,0|0,0,2]=4 8948 B15R0.366 CCCCCOCCCCCC(=O)OCC 7a_100011214988_100000210326 [0,2,0,0,0,0|0,0,2]=4 8949 B15R0.366 CCCCCSCCCCCC(=O)OCC 62a_100000210326_100000755133 [0,2,0,0,0,0|0,0,2]=4 8950 B15R0.366 CCCCCSCCCCCC(=O)OCC 62a_100000755133_100000210326 [0,2,0,0,0,0|0,0,2]=4 8951 B15R0.366 CCCCNCCCCCCC(=O)OCC 2230a_100000102301_100009814379 [0,2,0,0,0,0|0,0,2]=4 8952 B15R0.366 CCCCNCCCCCCC(=O)OCC 7a_106832991798_100009814379 [0,2,0,0,0,0|0,0,2]=4 8953 B15R0.366 CCCCOCCCCCCC(=O)OCC 34a_100000210227_100009814379 [0,2,0,0,0,0|0,0,2]=4 8954 B15R0.366 CCCCOCCCCCCC(=O)OCC 7a_100000210227_100009814379 [0,2,0,0,0,0|0,0,2]=4 8955 B15R0.366 CCCCSCCCCCCC(=O)OCC 62a_100000210211_100009814379 [0,2,0,0,0,0|0,0,2]=4 8956 B15R0.366 CCCOCCCCCCCC(=O)OCC 34a_100000210258_100009991516 [0,2,0,0,0,0|0,0,2]=4 8957 B15R0.366 CCCSCCCCCCCC(=O)OCC 62a_100000210303_100009991516 [0,2,0,0,0,0|0,0,2]=4 8958 B15R0.366 CCNCCCCCCCCC(=O)OCC 2230a_100015525214_100010175975 [0,2,0,0,0,0|0,0,2]=4 8959 B15R0.366 CCOC(=O)CCCCCCCCCNC 2230a_106832991635_100009828014 [0,2,0,0,0,0|0,0,2]=4 8960 B15R0.366 CCOC(=O)CCCCCCCCCNC 34a_100102657272_100009828014 [0,2,0,0,0,0|0,0,2]=4 8961 B15R0.366 CCOC(=O)CCCCCCCCCNC 7a_106832991635_100009828014 [0,2,0,0,0,0|0,0,2]=4 8962 B15R0.366 CCOC(=O)CCCCCCCCCOC 34a_100138415774_100009828014 [0,2,0,0,0,0|0,0,2]=4 8963 B15R0.366 CCOC(=O)CCCCCCCCCSC 62a_200000210301_100009828014 [0,2,0,0,0,0|0,0,2]=4 8964 B15R0.366 CCOC(=O)CCCCCCCCCS[13CH3] 62a_200025704644_100009828014 [0,2,0,0,0,0|0,0,2]=4 8965 B15R0.366 CCOC(=O)CCCCCCCCSCC 62a_100000210202_100010175975 [0,2,0,0,0,0|0,0,2]=4 8966 B15R0.366 CCOC(=O)CCCCCCCCSCF 62a_100015361967_100010175975 [0,2,0,0,0,0|1,0,1]=4 8967 B15R0.366 CCOC(=O)CCCCCCCNCCF 34a_100000724931_100009991516 [0,2,0,0,0,0|1,0,1]=4 8968 B15R0.366 CCOC(=O)CCCCCCCNCCO 2230a_100016997473_100009991516 [0,2,0,0,0,0|1,0,1]=4 8969 B15R0.366 CCOC(=O)CCCCCCCNCCO 34a_100016990907_100009991516 [0,2,0,0,0,0|1,0,1]=4 8970 B15R0.366 CCOC(=O)CCCCCCCOCCBr 34a_100000211926_100009991516 [0,2,0,0,0,0|1,0,1]=4 8971 B15R0.366 CCOC(=O)CCCCCCCOCCN 34a_100000210304_100009991516 [0,2,0,0,0,0|1,0,1]=4 8972 B15R0.366 CCOC(=O)CCCCCCCSCC#N 62a_100011215382_100009991516 [0,2,0,0,0,0|1,0,1]=4 8973 B15R0.366 CCOC(=O)CCCCCCCSCC=O 62a_200015260668_100009991516 [0,2,0,0,0,0|1,0,0]=3 8974 B15R0.366 CCOC(=O)CCCCCCCSCCF 62a_100011217306_100009991516 [0,2,0,0,0,0|1,0,1]=4 8975 B15R0.366 CCOC(=O)CCCCCCCSCCO 62a_100000211926_100009991516 [0,2,0,0,0,0|1,0,1]=4 8976 B15R0.366 CCOC(=O)CCCCCCCSCOC 62a_100000766300_100009991516 [0,2,0,0,0,0|1,0,1]=4 8977 B15R0.366 CCOC(=O)CCCCCCCSCSC 62a_100011218213_100009991516 [0,2,0,0,0,0|1,0,1]=4 8978 B15R0.366 CCOC(=O)CCCCCCNCCCF 2230a_100015189416_100009814379 [0,2,0,0,0,0|1,0,1]=4 8979 B15R0.366 CCOC(=O)CCCCCCNCCCF 34a_100015189416_100009814379 [0,2,0,0,0,0|1,0,1]=4 8980 B15R0.366 CCOC(=O)CCCCCCNCCOC 2230a_100000209980_100009814379 [0,2,0,0,0,0|1,0,1]=4 8981 B15R0.366 CCOC(=O)CCCCCCNCCSC 2230a_100020590264_100009814379 [0,2,0,0,0,0|1,0,1]=4 8982 B15R0.366 CCOC(=O)CCCCCCOCCCBr 34a_100011217188_100009814379 [0,2,0,0,0,0|1,0,1]=4 8983 B15R0.366 CCOC(=O)CCCCCCOCCCCl 34a_100000230001_100009814379 [0,2,0,0,0,0|1,0,1]=4 8984 B15R0.366 CCOC(=O)CCCCCCOCCCF 34a_100000759539_100009814379 [0,2,0,0,0,0|1,0,1]=4 8985 B15R0.366 CCOC(=O)CCCCCCOCCCN 34a_100000182051_100009814379 [0,2,0,0,0,0|1,0,1]=4 8986 B15R0.366 CCOC(=O)CCCCCCOCCOC 34a_100000210237_100009814379 [0,2,0,0,0,0|1,0,1]=4 8987 B15R0.366 CCOC(=O)CCCCCCOCCON 34a_100000700252_100009814379 [0,2,0,0,0,0|2,0,0]=4 8988 B15R0.366 CCOC(=O)CCCCCCOCCSC 34a_100000230434_100009814379 [0,2,0,0,0,0|1,0,1]=4 8989 B15R0.366 CCOC(=O)CCCCCCOCCSC 7a_100000230434_100009814379 [0,2,0,0,0,0|1,0,1]=4 8990 B15R0.366 CCOC(=O)CCCCCCSCCC#N 62a_100011215226_100009814379 [0,2,0,0,0,0|1,0,1]=4 8991 B15R0.366 CCOC(=O)CCCCCCSCCCF 62a_100011934791_100009814379 [0,2,0,0,0,0|1,0,1]=4 8992 B15R0.366 CCOC(=O)CCCCCCSCCCO 62a_100011215043_100009814379 [0,2,0,0,0,0|1,0,1]=4 8993 B15R0.366 CCOC(=O)CCCCCCSCCOC 62a_100000233755_100009814379 [0,2,0,0,0,0|1,0,1]=4 8994 B15R0.366 CCOC(=O)CCCCCCSCCSC 62a_100000212216_100009814379 [0,2,0,0,0,0|1,0,1]=4 8995 B15R0.366 CCOC(=O)CCCCCNCCCCO 2230a_100000750430_100000755133 [0,2,0,0,0,0|1,0,1]=4 8996 B15R0.366 CCOC(=O)CCCCCNCCCCO 34a_100000750430_100000755133 [0,2,0,0,0,0|1,0,1]=4 8997 B15R0.366 CCOC(=O)CCCCCNCCCOC 34a_100150723488_100000755133 [0,2,0,0,0,0|1,0,1]=4 8998 B15R0.366 CCOC(=O)CCCCCNCCCSC 2230a_100000749238_100000755133 [0,2,0,0,0,0|1,0,1]=4 8999 B15R0.366 CCOC(=O)CCCCCOCCCC#N 7a_100011214988_100000687738 [0,2,0,0,0,0|1,0,1]=4 9000 B15R0.366 CCOC(=O)CCCCCOCCCC=O 7a_100011214988_200011292268 [0,2,0,0,0,0|1,0,0]=3 9001 B15R0.366 CCOC(=O)CCCCCOCCCCBr 34a_100011216708_100000755133 [0,2,0,0,0,0|1,0,1]=4 9002 B15R0.366 CCOC(=O)CCCCCOCCCCCl 34a_100000210776_100000755133 [0,2,0,0,0,0|1,0,1]=4 9003 B15R0.366 CCOC(=O)CCCCCOCCCCCl 7a_100000210776_100000755133 [0,2,0,0,0,0|1,0,1]=4 9004 B15R0.366 CCOC(=O)CCCCCOCCCCF 34a_100011995726_100000755133 [0,2,0,0,0,0|1,0,1]=4 9005 B15R0.366 CCOC(=O)CCCCCOCCCCF 7a_100011214988_100000729493 [0,2,0,0,0,0|1,0,1]=4 9006 B15R0.366 CCOC(=O)CCCCCOCCCCF 7a_100011995726_100000755133 [0,2,0,0,0,0|1,0,1]=4 9007 B15R0.366 CCOC(=O)CCCCCOCCCCI 34a_200012148704_100000755133 [0,2,0,0,0,0|1,0,1]=4 9008 B15R0.366 CCOC(=O)CCCCCOCCCCN 34a_100000750430_100000755133 [0,2,0,0,0,0|1,0,1]=4 9009 B15R0.366 CCOC(=O)CCCCCOCCCCO 7a_100011214988_100000210776 [0,2,0,0,0,0|1,0,1]=4 9010 B15R0.366 CCOC(=O)CCCCCOCCCNC 34a_100000213112_100000755133 [0,2,0,0,0,0|1,0,1]=4 9011 B15R0.366 CCOC(=O)CCCCCOCCCOC 34a_100000740835_100000755133 [0,2,0,0,0,0|1,0,1]=4 9012 B15R0.366 CCOC(=O)CCCCCOCCCOC 7a_100011214988_100000740836 [0,2,0,0,0,0|1,0,1]=4 9013 B15R0.366 CCOC(=O)CCCCCOCCCSC 34a_100000690336_100000755133 [0,2,0,0,0,0|1,0,1]=4 9014 B15R0.366 CCOC(=O)CCCCCOCCCSC 7a_100000690336_100000755133 [0,2,0,0,0,0|1,0,1]=4 9015 B15R0.366 CCOC(=O)CCCCCSCCCC#N 62a_100000687738_100000755133 [0,2,0,0,0,0|1,0,1]=4 9016 B15R0.366 CCOC(=O)CCCCCSCCCC#N 62a_100000755133_100000687738 [0,2,0,0,0,0|1,0,1]=4 9017 B15R0.366 CCOC(=O)CCCCCSCCCC=O 62a_100000755133_200011292268 [0,2,0,0,0,0|1,0,0]=3 9018 B15R0.366 CCOC(=O)CCCCCSCCCC=O 62a_200011292268_100000755133 [0,2,0,0,0,0|1,0,0]=3 9019 B15R0.366 CCOC(=O)CCCCCSCCCCF 62a_100000729493_100000755133 [0,2,0,0,0,0|1,0,1]=4 9020 B15R0.366 CCOC(=O)CCCCCSCCCCF 62a_100000755133_100000729493 [0,2,0,0,0,0|1,0,1]=4 9021 B15R0.366 CCOC(=O)CCCCCSCCCCO 62a_100000210776_100000755133 [0,2,0,0,0,0|1,0,1]=4 9022 B15R0.366 CCOC(=O)CCCCCSCCCCO 62a_100000755133_100000210776 [0,2,0,0,0,0|1,0,1]=4 9023 B15R0.366 CCOC(=O)CCCCCSCCCOC 62a_100000709357_100000755133 [0,2,0,0,0,0|1,0,1]=4 9024 B15R0.366 CCOC(=O)CCCCCSCCCOC 62a_100000755133_100000709357 [0,2,0,0,0,0|1,0,1]=4 9025 B15R0.366 CCOC(=O)CCCCNCCCCCO 2230a_100000762737_100000750268 [0,2,0,0,0,0|1,0,1]=4 9026 B15R0.366 CCOC(=O)CCCCNCCCCCO 34a_100000762737_100000750268 [0,2,0,0,0,0|1,0,1]=4 9027 B15R0.366 CCOC(=O)CCCCOCCCCCBr 34a_100000746331_100000750268 [0,2,0,0,0,0|1,0,1]=4 9028 B15R0.366 CCOC(=O)CCCCOCCCCCBr 7a_100000746331_100000750268 [0,2,0,0,0,0|1,0,1]=4 9029 B15R0.366 CCOC(=O)CCCCOCCCCCCl 34a_100000746330_100000750268 [0,2,0,0,0,0|1,0,1]=4 9030 B15R0.366 CCOC(=O)CCCCOCCCCCCl 7a_100000746330_100000750268 [0,2,0,0,0,0|1,0,1]=4 9031 B15R0.366 CCOC(=O)CCCCOCCCCCI 34a_200012148887_100000750268 [0,2,0,0,0,0|1,0,1]=4 9032 B15R0.366 CCOC(=O)CCCCOCCCCCI 7a_200012148887_100000750268 [0,2,0,0,0,0|1,0,1]=4 9033 B15R0.366 CCOC(=O)CCCCOCCCCCN 34a_100000762737_100000750268 [0,2,0,0,0,0|1,0,1]=4 9034 B15R0.366 CCOC(=O)CCCCOCCCCOC 34a_100000740925_100000750268 [0,2,0,0,0,0|1,0,1]=4 9035 B15R0.366 CCOC(=O)CCCCOCCCCSC 34a_100011217163_100000750268 [0,2,0,0,0,0|1,0,1]=4 9036 B15R0.366 CCOC(=O)CCCCOCCCCSC 7a_100011217163_100000750268 [0,2,0,0,0,0|1,0,1]=4 9037 B15R0.366 CCOC(=O)CCCCSCCCCC#N 62a_100000750268_100000211819 [0,2,0,0,0,0|1,0,1]=4 9038 B15R0.366 CCOC(=O)CCCCSCCCCC#N 62a_100011219923_100000750268 [0,2,0,0,0,0|1,0,1]=4 9039 B15R0.366 CCOC(=O)CCCCSCCCCC=O 62a_100000139335_100000750268 [0,2,0,0,0,0|1,0,0]=3 9040 B15R0.366 CCOC(=O)CCCCSCCCCC=O 62a_100000750268_100000139335 [0,2,0,0,0,0|1,0,0]=3 9041 B15R0.366 CCOC(=O)CCCCSCCCCCF 62a_100000729378_100000750268 [0,2,0,0,0,0|1,0,1]=4 9042 B15R0.366 CCOC(=O)CCCCSCCCCCF 62a_100000750268_100000729378 [0,2,0,0,0,0|1,0,1]=4 9043 B15R0.366 CCOC(=O)CCCCSCCCCCO 62a_100000746330_100000750268 [0,2,0,0,0,0|1,0,1]=4 9044 B15R0.366 CCOC(=O)CCCCSCCCCCO 62a_100000750268_100000746330 [0,2,0,0,0,0|1,0,1]=4 9045 B15R0.366 CCOC(=O)CCCCSCCCCOC 62a_100000730899_100000750268 [0,2,0,0,0,0|1,0,1]=4 9046 B15R0.366 CCOC(=O)CCCCSCCCCOC 62a_100000750268_100000730899 [0,2,0,0,0,0|1,0,1]=4 9047 B15R0.366 CCOC(=O)CCCNCCCCCCO 2230a_100000686447_100009991533 [0,2,0,0,0,0|1,0,1]=4 9048 B15R0.366 CCOC(=O)CCCNCCCCCCO 34a_100000686447_100009991533 [0,2,0,0,0,0|1,0,1]=4 9049 B15R0.366 CCOC(=O)CCCNCCCCCOC 2230a_100000747528_100009991533 [0,2,0,0,0,0|1,0,1]=4 9050 B15R0.366 CCOC(=O)CCCNCCCCCOC 34a_100000747528_100009991533 [0,2,0,0,0,0|1,0,1]=4 9051 B15R0.366 CCOC(=O)CCCOCCCCCC#N 7a_100012001163_100009813376 [0,2,0,0,0,0|1,0,1]=4 9052 B15R0.366 CCOC(=O)CCCOCCCCCC=O 7a_100012001163_100000139337 [0,2,0,0,0,0|1,0,0]=3 9053 B15R0.366 CCOC(=O)CCCOCCCCCCBr 34a_100011215345_100009991533 [0,2,0,0,0,0|1,0,1]=4 9054 B15R0.366 CCOC(=O)CCCOCCCCCCBr 7a_100011215345_100011215271 [0,2,0,0,0,0|1,0,1]=4 9055 B15R0.366 CCOC(=O)CCCOCCCCCCCl 34a_100000766143_100009991533 [0,2,0,0,0,0|1,0,1]=4 9056 B15R0.366 CCOC(=O)CCCOCCCCCCCl 7a_100000766143_100011215271 [0,2,0,0,0,0|1,0,1]=4 9057 B15R0.366 CCOC(=O)CCCOCCCCCCF 34a_100000732779_100009991533 [0,2,0,0,0,0|1,0,1]=4 9058 B15R0.366 CCOC(=O)CCCOCCCCCCF 7a_100000732779_100011215271 [0,2,0,0,0,0|1,0,1]=4 9059 B15R0.366 CCOC(=O)CCCOCCCCCCF 7a_100012001163_100015922095 [0,2,0,0,0,0|1,0,1]=4 9060 B15R0.366 CCOC(=O)CCCOCCCCCCN 34a_100000686447_100009991533 [0,2,0,0,0,0|1,0,1]=4 9061 B15R0.366 CCOC(=O)CCCOCCCCCCO 7a_100012001163_100000766143 [0,2,0,0,0,0|1,0,1]=4 9062 B15R0.366 CCOC(=O)CCCOCCCCCNC 34a_100000722520_100009991533 [0,2,0,0,0,0|1,0,1]=4 9063 B15R0.366 CCOC(=O)CCCSCCCCCC#N 62a_100009813376_100009991533 [0,2,0,0,0,0|1,0,1]=4 9064 B15R0.366 CCOC(=O)CCCSCCCCCC#N 62a_100009991533_100009813376 [0,2,0,0,0,0|1,0,1]=4 9065 B15R0.366 CCOC(=O)CCCSCCCCCC=O 62a_100000139337_100009991533 [0,2,0,0,0,0|1,0,0]=3 9066 B15R0.366 CCOC(=O)CCCSCCCCCC=O 62a_100009991533_100000139337 [0,2,0,0,0,0|1,0,0]=3 9067 B15R0.366 CCOC(=O)CCCSCCCCCCF 62a_100009991533_100015922095 [0,2,0,0,0,0|1,0,1]=4 9068 B15R0.366 CCOC(=O)CCCSCCCCCCF 62a_100015922095_100009991533 [0,2,0,0,0,0|1,0,1]=4 9069 B15R0.366 CCOC(=O)CCCSCCCCCCO 62a_100000766143_100009991533 [0,2,0,0,0,0|1,0,1]=4 9070 B15R0.366 CCOC(=O)CCCSCCCCCCO 62a_100009991533_100000766143 [0,2,0,0,0,0|1,0,1]=4 9071 B15R0.366 CCOC(=O)CCNCCCCCCCO 2230a_100011996573_100011206558 [0,2,0,0,0,0|1,0,1]=4 9072 B15R0.366 CCOC(=O)CCNCCCCCCCO 34a_100011996573_100000765890 [0,2,0,0,0,0|1,0,1]=4 9073 B15R0.366 CCOC(=O)CCOCCCCCCCBr 34a_100000760002_100000765890 [0,2,0,0,0,0|1,0,1]=4 9074 B15R0.366 CCOC(=O)CCOCCCCCCCBr 7a_100000760002_100011206558 [0,2,0,0,0,0|1,0,1]=4 9075 B15R0.366 CCOC(=O)CCOCCCCCCCN 34a_100011996573_100000765890 [0,2,0,0,0,0|1,0,1]=4 9076 B15R0.366 CCOC(=O)CCOCCCCCCOC 34a_200012092642_100000765890 [0,2,0,0,0,0|1,0,1]=4 9077 B15R0.366 CCOC(=O)CCOCCCCCCOC 7a_200012092642_100011206558 [0,2,0,0,0,0|1,0,1]=4 9078 B15R0.366 CCOC(=O)CCSCCCCCCC#N 62a_100000765890_100009813337 [0,2,0,0,0,0|1,0,1]=4 9079 B15R0.366 CCOC(=O)CCSCCCCCCC#N 62a_100009813337_100000765890 [0,2,0,0,0,0|1,0,1]=4 9080 B15R0.366 CCOC(=O)CCSCCCCCCCO 62a_100000760002_100000765890 [0,2,0,0,0,0|1,0,1]=4 9081 B15R0.366 CCOC(=O)CCSCCCCCCCO 62a_100000765890_100000760002 [0,2,0,0,0,0|1,0,1]=4 9082 B15R0.366 CCOC(=O)CCSCCCCCCOC 62a_100000765890_100011998445 [0,2,0,0,0,0|1,0,1]=4 9083 B15R0.366 CCOC(=O)CCSCCCCCCOC 62a_100011998445_100000765890 [0,2,0,0,0,0|1,0,1]=4 9084 B15R0.366 CCOC(=O)CNCCCCCCCCO 2230a_102515433106_100000188475 [0,2,0,0,0,0|1,0,1]=4 9085 B15R0.366 CCOC(=O)CNCCCCCCCCO 34a_102515433106_100000188475 [0,2,0,0,0,0|1,0,1]=4 9086 B15R0.366 CCOC(=O)COCCCCCCCCBr 34a_100009813846_100000188475 [0,2,0,0,0,0|1,0,1]=4 9087 B15R0.366 CCOC(=O)COCCCCCCCCBr 7a_100009813846_100000188475 [0,2,0,0,0,0|1,0,1]=4 9088 B15R0.366 CCOC(=O)COCCCCCCCCCl 34a_100000033203_100000188475 [0,2,0,0,0,0|1,0,1]=4 9089 B15R0.366 CCOC(=O)COCCCCCCCCCl 7a_100000033203_100000188475 [0,2,0,0,0,0|1,0,1]=4 9090 B15R0.366 CCOC(=O)COCCCCCCCCN 34a_102515433106_100000188475 [0,2,0,0,0,0|1,0,1]=4 9091 B15R0.366 CCOC(=O)COCCCSCCCC=O 62a_100009893628_200011292268 [0,2,0,0,0,0|2,0,0]=4 9092 B15R0.366 CCOC(=O)COCCCSCCCC=O 62a_200011292268_100009893628 [0,2,0,0,0,0|2,0,0]=4 9093 B15R0.366 CCOC(=O)COCCSCCCCC=O 62a_100000088970_100000139335 [0,2,0,0,0,0|2,0,0]=4 9094 B15R0.366 CCOC(=O)COCCSCCCCC=O 62a_100000139335_100000088970 [0,2,0,0,0,0|2,0,0]=4 9095 B15R0.366 CCOC(=O)CSCCCCCCCCO 62a_100000033203_100000188475 [0,2,0,0,0,0|1,0,1]=4 9096 B15R0.366 CCOC(=O)CSCCCCCCCCO 62a_100000188475_100000033203 [0,2,0,0,0,0|1,0,1]=4 9097 B15R0.366 CCOC(=O)CSCCOCCCCC=O 7a_200000230590_100000139335 [0,2,0,0,0,0|2,0,0]=4 9098 B15R0.366 CCOC(=O)NCCSCCCCCC=O 62a_100000139337_200011445536 [0,2,0,0,0,0|2,0,0]=4 9099 B15R0.366 CCOCCCCCCCCC(=O)OCC 34a_100121572206_100010175975 [0,2,0,0,0,0|0,0,2]=4 9100 B15R0.366 COCC(=O)CCCCCCCCCCO 1458a_100000210968_100009813290 [0,2,0,0,0,0|0,0,2]=4 9101 B15R0.366 COCC(=O)NCCCCCCCCCO 240690a_100000078944_100000210968 [0,2,0,0,0,0|1,0,1]=4 9102 B15R0.167 C=CCCCCCCCCC(=O)C(C)(C)C 1458a_106744555173_100011933949 [0,2,0,0,0,0|1,0,0]=3 9103 B15R0.167 C=CCCCCCCCCC(=O)C(C)(C)F 1458a_100000765255_100011933949 [0,2,0,0,0,0|1,0,0]=3 9104 B15R0.167 C=CCCCCCCCCC(=O)C(C)(C)O 1458a_100000242741_100011933949 [0,2,0,0,0,0|1,0,0]=3 9105 B15R0.167 C=CCCCCCCCCC(=O)C(F)(F)F 1458a_100000211349_200000243211 [0,2,0,0,0,0|2,0,0]=4 9106 B15R0.167 C=CCCCCCCCCC(=O)C(F)(F)F 1458a_100015355933_100011933949 [0,2,0,0,0,0|2,0,0]=4 9107 B15R0.167 C=CCCCCCCOCC(=O)C(C)(C)C 34a_200011216477_100000229897 [0,2,0,0,0,0|2,0,0]=4 9108 B15R0.167 C=CCCCCCCOCC(=O)C(C)(C)C 34a_200011592769_100011215473 [0,2,0,0,0,0|2,0,0]=4 9109 B15R0.167 C=CCCCCCCOCC(=O)C(C)(C)C 7a_200011216477_100000210923 [0,2,0,0,0,0|2,0,0]=4 9110 B15R0.167 C=CCCCCCCOCC(=O)C(C)(C)C 7a_200011592769_100011215473 [0,2,0,0,0,0|2,0,0]=4 9111 B15R0.167 C=CCCCCCCSCC(=O)C(C)(C)C 62a_100000210923_100011215473 [0,2,0,0,0,0|2,0,0]=4 9112 B15R0.167 C=CCCCCCCSCC(=O)C(C)(C)C 62a_100011215473_100000210923 [0,2,0,0,0,0|2,0,0]=4 9113 B15R0.69 C=CCCCCCCCCC(=O)C=C(C)C 1458a_100000211388_100011933949 [0,2,0,0,0,0|1,0,0]=3 9114 B15R0.69 C=CCCCCCCCCC(=O)C=C(C)Cl 1458a_200042562850_100011933949 [0,2,0,0,0,0|1,0,0]=3 9115 B15R0.69 C=CCCCCCCCCC(=O)C=C(C)I 1458a_100025716642_100011933949 [0,2,0,0,0,0|1,0,0]=3 9116 B15R0.69 C=CCCCCCCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100011933949 [0,2,0,0,0,0|1,0,1]=4 9117 B15R0.69 C=CCCCCCCCCC(=O)CC(=C)C 1458a_100000211349_100000748629 [0,2,0,0,0,0|1,0,0]=3 9118 B15R0.69 C=CCCCCCCCCC(=O)CC(=C)F 1458a_100000211349_100009893438 [0,2,0,0,0,0|1,0,1]=4 9119 B15R0.69 C=CCCCCCCCCC(=O)CC(=O)N 1458a_100000211349_100000187820 [0,2,0,0,0,0|1,0,1]=4 9120 B15R0.69 C=CCCCCCCCCC(=O)CC(=O)N 1458a_100134613110_100011933949 [0,2,0,0,0,0|1,0,1]=4 9121 B15R0.69 C=CCCCCCCCCC(=O)CC(=O)[O-] 1458a_100000211349_100020667443 [0,2,0,0,0,0|1,0,1]=4 9122 B15R0.69 C=CCCCCCCCCC(=O)CC(C)C 1458a_100000210554_100011933949 [0,2,0,0,0,0|1,0,0]=3 9123 B15R0.69 C=CCCCCCCCCC(=O)CC(C)C 1458a_100000211349_100000210624 [0,2,0,0,0,0|1,0,0]=3 9124 B15R0.69 C=CCCCCCCCCC(=O)CC(C)O 1458a_100000211349_100011218427 [0,2,0,0,0,0|1,0,0]=3 9125 B15R0.69 C=CCCCCCCCCC(=O)CC(F)F 1458a_100000211349_100011934356 [0,2,0,0,0,0|1,0,0]=3 9126 B15R0.69 C=CCCCCCCCCC(=O)CN(C)C 1458a_100000750896_100011933949 [0,2,0,0,0,0|1,0,0]=3 9127 B15R0.69 C=CCCCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100011933949 [0,2,0,0,0,0|1,0,0]=3 9128 B15R0.69 C=CCCCCCCCCC(=O)C[N+](=O)[O-] 1458a_100000211349_100000761209 [0,2,0,0,0,0|2,0,0]=4 9129 B15R0.69 C=CCCCCCCCCC(=O)C[S+](C)C 1458a_200159257847_100011933949 [0,2,0,0,0,0|0,1,0]=3 9130 B15R0.69 C=CCCCCCCCCC(=O)NC(C)C 11a_100138425928_100000211349 [0,2,0,0,0,0|1,0,0]=3 9131 B15R0.69 C=CCCCCCCCCC(=O)NC(C)C 1626a_100138425928_100000211349 [0,2,0,0,0,0|1,0,0]=3 9132 B15R0.69 C=CCCCCCCCCC(=O)NC(C)C 240690a_100138425928_100000211349 [0,2,0,0,0,0|1,0,0]=3 9133 B15R0.69 C=CCCCCCCCCC(=O)NC(C)C 527a_100138425928_100000211349 [0,2,0,0,0,0|1,0,0]=3 9134 B15R0.69 C=CCCCCCCNCC(=O)NC(C)C 2230a_100000168517_100011215473 [0,2,0,0,0,0|2,0,0]=4 9135 B15R0.69 C=CCCCCCCOCC(=O)NC(=O)C 7a_200011216477_100000183797 [0,2,0,0,0,0|2,0,0]=4 9136 B15R0.69 C=CCCCCCCOCC(=O)NC(C)C 34a_200011216477_100000183996 [0,2,0,0,0,0|2,0,0]=4 9137 B15R0.69 C=CCCCCCCOCC(=O)NC(C)C 7a_200011216477_100000183996 [0,2,0,0,0,0|2,0,0]=4 9138 B15R0.69 C=CCCCCCCOCC(=O)OC(C)C 34a_200011216477_100011215430 [0,2,0,0,0,0|1,0,0]=3 9139 B15R0.69 C=CCCCCCCOCC(=O)OC(C)C 7a_200011216477_100011215430 [0,2,0,0,0,0|1,0,0]=3 9140 B15R0.69 C=CCCCCCCSCC(=O)NC(=O)C 62a_100011215473_100000183797 [0,2,0,0,0,0|2,0,0]=4 9141 B15R0.69 C=CCCCCCCSCC(=O)NC(C)C 62a_100000183996_100011215473 [0,2,0,0,0,0|2,0,0]=4 9142 B15R0.69 C=CCCCCCCSCC(=O)NC(C)C 62a_100011215473_100000183996 [0,2,0,0,0,0|2,0,0]=4 9143 B15R0.69 C=CCCCCCCSCC(=O)OC(C)C 62a_100011215430_100011215473 [0,2,0,0,0,0|1,0,0]=3 9144 B15R0.69 C=CCCCCCCSCC(=O)OC(C)C 62a_100011215473_100011215430 [0,2,0,0,0,0|1,0,0]=3 9145 B15R0.69 C=CCCCCCOCCC(=O)NC(C)C 7a_100011216702_100000737564 [0,2,0,0,0,0|2,0,0]=4 9146 B15R0.69 C=CCCCCCOCCC(=O)OC(C)C 7a_100011216702_100000760027 [0,2,0,0,0,0|1,0,0]=3 9147 B15R0.69 C=CCCCCCSCCC(=O)NC(C)C 62a_100000700193_100000737564 [0,2,0,0,0,0|2,0,0]=4 9148 B15R0.69 C=CCCCCCSCCC(=O)NC(C)C 62a_100000737564_100000700193 [0,2,0,0,0,0|2,0,0]=4 9149 B15R0.69 C=CCCCCCSCCC(=O)OC(C)C 62a_100000700193_100000760027 [0,2,0,0,0,0|1,0,0]=3 9150 B15R0.69 C=CCCCCCSCCC(=O)OC(C)C 62a_100000760027_100000700193 [0,2,0,0,0,0|1,0,0]=3 9151 B15R0.69 C=CCCCCCSCOC(=O)OC(C)C 62a_100000003507_100000700193 [0,2,0,0,0,0|2,0,0]=4 9152 B15R0.69 C=CCCCCCSCOC(=O)OC(C)C 62a_100000700193_100000003507 [0,2,0,0,0,0|2,0,0]=4 9153 B15R0.69 C=CCCNCCCCCC(=O)OC(C)C 2230a_100015191253_200010986244 [0,2,0,0,0,0|1,0,0]=3 9154 B15R0.69 C=CCCOCCCCCC(=O)OC(C)C 34a_100011205117_200010986244 [0,2,0,0,0,0|1,0,0]=3 9155 B15R0.69 C=CCCSCCCCCC(=O)OC(C)C 62a_100000754431_200010986244 [0,2,0,0,0,0|1,0,0]=3 9156 B15R0.69 C=CCCSCCCCCC(=O)OC(C)C 62a_200010986244_100000754431 [0,2,0,0,0,0|1,0,0]=3 9157 B15R0.69 C=COCCCCOCCC(=O)OC(C)C 7a_100000031558_100000760027 [0,2,0,0,0,0|2,0,0]=4 9158 B15R0.69 CC(C)OC(=O)CCSCCCCCC=O 62a_100000139337_100000760027 [0,2,0,0,0,0|2,0,0]=4 9159 B15R0.69 CC(C)OC(=O)CCSCCCCCC=O 62a_100000760027_100000139337 [0,2,0,0,0,0|2,0,0]=4 9160 B15R0.2002 C#CCCC(=O)CCCCCCCCC=C 1458a_100000211349_100000753159 [0,2,0,0,0,0|1,0,0]=3 9161 B15R0.2002 C#CCCC(=O)CCCCCCCCC=C 1458a_100000692101_100011933949 [0,2,0,0,0,0|1,0,0]=3 9162 B15R0.2002 C#CCCC(=O)CCOCCCCCC=C 34a_100011064465_100000700193 [0,2,0,0,0,0|2,0,0]=4 9163 B15R0.2002 C#CCCC(=O)CCOCCCCCC=C 7a_100011064465_100000700193 [0,2,0,0,0,0|2,0,0]=4 9164 B15R0.2002 C#CCCCCCCCCC(=O)CCOC 1458a_100000029693_100000233755 [0,2,0,0,0,0|0,0,2]=4 9165 B15R0.2002 C#CCNC(=O)CCCCCCCCC=C 11a_100000212058_100000211349 [0,2,0,0,0,0|1,0,0]=3 9166 B15R0.2002 C#CCNC(=O)CCCCCCCCC=C 1626a_100000212058_100000211349 [0,2,0,0,0,0|1,0,0]=3 9167 B15R0.2002 C#CCNC(=O)CCCCCCCCC=C 240690a_100000212058_100000211349 [0,2,0,0,0,0|1,0,0]=3 9168 B15R0.2002 C#CCNC(=O)CCCCCCCCC=C 527a_100000212058_100000211349 [0,2,0,0,0,0|1,0,0]=3 9169 B15R0.2002 C#CCNC(=O)CNCCCCCCC=C 2230a_100000747989_100011215473 [0,2,0,0,0,0|2,0,0]=4 9170 B15R0.2002 C#CCNC(=O)CNCCCCCCC=C 34a_100000747989_100011215473 [0,2,0,0,0,0|2,0,0]=4 9171 B15R0.2002 C=CC=CC(=O)CCCCCCCCC=C 1458a_100016291481_100011933949 [0,2,0,0,0,0|1,0,1]=4 9172 B15R0.2002 C=CCCCCCCCCC(=O)C#CCC 1458a_100011827653_100011933949 [0,2,0,0,0,0|1,0,0]=3 9173 B15R0.2002 C=CCCCCCCCCC(=O)C#CCO 1458a_100000049017_100011933949 [0,2,0,0,0,0|1,0,0]=3 9174 B15R0.2002 C=CCCCCCCCCC(=O)C/C=C/C 1458a_100000211349_100102629194 [0,2,0,0,0,0|1,0,0]=3 9175 B15R0.2002 C=CCCCCCCCCC(=O)C=CCC 1458a_100000212282_100011933949 [0,2,0,0,0,0|1,0,0]=3 9176 B15R0.2002 C=CCCCCCCCCC(=O)C=COC 1458a_100016268678_100011933949 [0,2,0,0,0,0|0,0,0]=2 9177 B15R0.2002 C=CCCCCCCCCC(=O)CC#CC 1458a_100000211349_100000748600 [0,2,0,0,0,0|1,0,0]=3 9178 B15R0.2002 C=CCCCCCCCCC(=O)CC=CC 1458a_100000211349_100000070051 [0,2,0,0,0,0|1,0,0]=3 9179 B15R0.2002 C=CCCCCCCCCC(=O)CC=CC 1458a_100121576822_100011933949 [0,2,0,0,0,0|1,0,0]=3 9180 B15R0.2002 C=CCCCCCCCCC(=O)CCC#N 1458a_100000211349_100011215226 [0,2,0,0,0,0|1,0,0]=3 9181 B15R0.2002 C=CCCCCCCCCC(=O)CCC#N 1458a_100011934036_100011933949 [0,2,0,0,0,0|1,0,0]=3 9182 B15R0.2002 C=CCCCCCCCCC(=O)CCC=C 1458a_100000211349_100000754431 [0,2,0,0,0,0|1,0,0]=3 9183 B15R0.2002 C=CCCCCCCCCC(=O)CCC=C 1458a_100000749702_100011933949 [0,2,0,0,0,0|1,0,0]=3 9184 B15R0.2002 C=CCCCCCCCCC(=O)CCCC 1458a_100000210183_100011933949 [0,2,0,0,0,0|1,0,0]=3 9185 B15R0.2002 C=CCCCCCCCCC(=O)CCCC 1458a_100000211349_100000210211 [0,2,0,0,0,0|1,0,0]=3 9186 B15R0.2002 C=CCCCCCCCCC(=O)CCCF 1458a_100000211349_100011934791 [0,2,0,0,0,0|1,0,0]=3 9187 B15R0.2002 C=CCCCCCCCCC(=O)CCCO 1458a_100000211349_100011215043 [0,2,0,0,0,0|1,0,0]=3 9188 B15R0.2002 C=CCCCCCCCCC(=O)CCOC 1458a_100000211349_100000233755 [0,2,0,0,0,0|0,0,0]=2 9189 B15R0.2002 C=CCCCCCCCCC(=O)CCOC 1458a_100000749529_100011933949 [0,2,0,0,0,0|0,0,0]=2 9190 B15R0.2002 C=CCCCCCCCCC(=O)CCSC 1458a_100000174002_100011933949 [0,2,0,0,0,0|0,1,0]=3 9191 B15R0.2002 C=CCCCCCCCCC(=O)CCSC 1458a_100000211349_100000751147 [0,2,0,0,0,0|0,1,0]=3 9192 B15R0.2002 C=CCCCCCCCCC(=O)COCC 1458a_100000211967_100011933949 [0,2,0,0,0,0|0,0,0]=2 9193 B15R0.2002 C=CCCCCCCCCC(=O)CSCC 1458a_100000230394_100011933949 [0,2,0,0,0,0|0,1,0]=3 9194 B15R0.2002 C=CCCCCCCCCC(=O)NCC#N 1626a_100000734998_100000211349 [0,2,0,0,0,0|1,0,0]=3 9195 B15R0.2002 C=CCCCCCCCCC(=O)NCC#N 527a_100000734998_100000211349 [0,2,0,0,0,0|1,0,0]=3 9196 B15R0.2002 C=CCCCCCCCCC(=O)NCC=C 1626a_100020586998_100000211349 [0,2,0,0,0,0|1,0,0]=3 9197 B15R0.2002 C=CCCCCCCCCC(=O)NCC=C 240690a_100020586998_100000211349 [0,2,0,0,0,0|1,0,0]=3 9198 B15R0.2002 C=CCCCCCCCCC(=O)NCC=C 527a_100020586998_100000211349 [0,2,0,0,0,0|1,0,0]=3 9199 B15R0.2002 C=CCCCCCCCCC(=O)NCCC 11a_100020643023_100000211349 [0,2,0,0,0,0|1,0,0]=3 9200 B15R0.2002 C=CCCCCCCCCC(=O)NCCC 1626a_100020643023_100000211349 [0,2,0,0,0,0|1,0,0]=3 9201 B15R0.2002 C=CCCCCCCCCC(=O)NCCC 240690a_100020643023_100000211349 [0,2,0,0,0,0|1,0,0]=3 9202 B15R0.2002 C=CCCCCCCCCC(=O)NCCC 527a_100020643023_100000211349 [0,2,0,0,0,0|1,0,0]=3 9203 B15R0.2002 C=CCCCCCCCCC(=O)NCCF 11a_100000724931_100000211349 [0,2,0,0,0,0|1,0,0]=3 9204 B15R0.2002 C=CCCCCCCCCC(=O)NCCF 1626a_100000724931_100000211349 [0,2,0,0,0,0|1,0,0]=3 9205 B15R0.2002 C=CCCCCCCCCC(=O)NCCF 240690a_100000724931_100000211349 [0,2,0,0,0,0|1,0,0]=3 9206 B15R0.2002 C=CCCCCCCCCC(=O)NCCF 527a_100000724931_100000211349 [0,2,0,0,0,0|1,0,0]=3 9207 B15R0.2002 C=CCCCCCCCCC(=O)NCCO 240690a_100000210304_100000211349 [0,2,0,0,0,0|1,0,0]=3 9208 B15R0.2002 C=CCCCCCCCCC(=O)NCCO 527a_100000210304_100000211349 [0,2,0,0,0,0|1,0,0]=3 9209 B15R0.2002 C=CCCCCCCCCC(=O)NN=CC 4a_200000015944_200000210099 [0,2,0,0,0,0|1,0,0]=3 9210 B15R0.2002 C=CCCCCCCCCC(=O)NNCC 22a_100000756455_100000211349 [0,2,0,0,0,0|1,0,0]=3 9211 B15R0.2002 C=CCCCCCCCCN(C)CCOC 2230a_100000743101_100011933949 [0,2,0,0,0,0|2,0,0]=4 9212 B15R0.2002 C=CCCCCCCCCN(C)CCOC 269982a_100000743101_100011933949 [0,2,0,0,0,0|2,0,0]=4 9213 B15R0.2002 C=CCCCCCCNCC(=O)NCCC 2230a_100000174927_100011215473 [0,2,0,0,0,0|2,0,0]=4 9214 B15R0.2002 C=CCCCCCCNCC(=O)NCCF 2230a_100000725713_100011215473 [0,2,0,0,0,0|2,0,0]=4 9215 B15R0.2002 C=CCCCCCCOCC(=C)OCOC 34a_200011216477_100000042856 [0,2,0,0,0,0|2,0,0]=4 9216 B15R0.2002 C=CCCCCCCOCC(=O)NCC#N 7a_200011216477_100000736037 [0,2,0,0,0,0|2,0,0]=4 9217 B15R0.2002 C=CCCCCCCOCC(=O)NCC=C 7a_200011216477_100000183597 [0,2,0,0,0,0|2,0,0]=4 9218 B15R0.2002 C=CCCCCCCOCC(=O)NCCC 34a_200011216477_100000183358 [0,2,0,0,0,0|2,0,0]=4 9219 B15R0.2002 C=CCCCCCCOCC(=O)NCCC 7a_200011216477_100000183358 [0,2,0,0,0,0|2,0,0]=4 9220 B15R0.2002 C=CCCCCCCOCC(=O)OCC=C 34a_200011216477_100000033060 [0,2,0,0,0,0|1,0,0]=3 9221 B15R0.2002 C=CCCCCCCOCC(=O)OCC=C 7a_200011216477_100000033060 [0,2,0,0,0,0|1,0,0]=3 9222 B15R0.2002 C=CCCCCCCOCC(=O)OCCC 34a_200011216477_200011215008 [0,2,0,0,0,0|1,0,0]=3 9223 B15R0.2002 C=CCCCCCCOCC(=O)OCCC 7a_200011216477_200011215008 [0,2,0,0,0,0|1,0,0]=3 9224 B15R0.2002 C=CCCCCCCSCC(=C)OCOC 62a_100000042856_100011215473 [0,2,0,0,0,0|2,0,0]=4 9225 B15R0.2002 C=CCCCCCCSCC(=C)OCOC 62a_100011215473_100000042856 [0,2,0,0,0,0|2,0,0]=4 9226 B15R0.2002 C=CCCCCCCSCC(=O)NCC#N 62a_100000736037_100011215473 [0,2,0,0,0,0|2,0,0]=4 9227 B15R0.2002 C=CCCCCCCSCC(=O)NCC#N 62a_100011215473_100000736037 [0,2,0,0,0,0|2,0,0]=4 9228 B15R0.2002 C=CCCCCCCSCC(=O)NCC=C 62a_100000183597_100011215473 [0,2,0,0,0,0|2,0,0]=4 9229 B15R0.2002 C=CCCCCCCSCC(=O)NCC=C 62a_100011215473_100000183597 [0,2,0,0,0,0|2,0,0]=4 9230 B15R0.2002 C=CCCCCCCSCC(=O)NCCC 62a_100000183358_100011215473 [0,2,0,0,0,0|2,0,0]=4 9231 B15R0.2002 C=CCCCCCCSCC(=O)NCCC 62a_100011215473_100000183358 [0,2,0,0,0,0|2,0,0]=4 9232 B15R0.2002 C=CCCCCCCSCC(=O)OCC=C 62a_100000033060_100011215473 [0,2,0,0,0,0|1,0,0]=3 9233 B15R0.2002 C=CCCCCCCSCC(=O)OCC=C 62a_100011215473_100000033060 [0,2,0,0,0,0|1,0,0]=3 9234 B15R0.2002 C=CCCCCCCSCC(=O)OCCC 62a_100011215473_200011215008 [0,2,0,0,0,0|1,0,0]=3 9235 B15R0.2002 C=CCCCCCCSCC(=O)OCCC 62a_200011215008_100011215473 [0,2,0,0,0,0|1,0,0]=3 9236 B15R0.2002 C=CCCCCCOCCC(=O)NCC=C 7a_100011216702_100011222895 [0,2,0,0,0,0|2,0,0]=4 9237 B15R0.2002 C=CCCCCCOCOC(=O)OCCC 34a_100011216702_200000139673 [0,2,0,0,0,0|2,0,0]=4 9238 B15R0.2002 C=CCCCCCOCOC(=O)OCCC 7a_100011216702_200000139673 [0,2,0,0,0,0|2,0,0]=4 9239 B15R0.2002 C=CCCCCCSCCC(=O)NCC=C 62a_100000700193_100011222895 [0,2,0,0,0,0|2,0,0]=4 9240 B15R0.2002 C=CCCCCCSCCC(=O)NCC=C 62a_100011222895_100000700193 [0,2,0,0,0,0|2,0,0]=4 9241 B15R0.2002 C=CCCCCCSCOC(=O)OCCC 62a_100000700193_200000139673 [0,2,0,0,0,0|2,0,0]=4 9242 B15R0.2002 C=CCCCCNCCCC(=O)NCCC 2230a_100000703577_100011194427 [0,2,0,0,0,0|2,0,0]=4 9243 B15R0.2002 C=CCCCCOCCCC(=O)NCCC 7a_100000766645_100011194427 [0,2,0,0,0,0|2,0,0]=4 9244 B15R0.2002 C=CCCCCSCCCC(=O)NCCC 62a_100011194427_100011215482 [0,2,0,0,0,0|2,0,0]=4 9245 B15R0.2002 C=CCCCCSCCCC(=O)NCCC 62a_100011215482_100011194427 [0,2,0,0,0,0|2,0,0]=4 9246 B15R0.2002 CCCCCCCCCCC(=O)C=COC 1458a_100016268678_100000210319 [0,2,0,0,0,0|0,0,2]=4 9247 B15R0.2002 CCCCCCCCCCC(=O)CCOC 1458a_100000210375_100000233755 [0,2,0,0,0,0|0,0,2]=4 9248 B15R0.2002 CCCCCCCCCCC(=O)CCOC 1458a_100000749529_100000210319 [0,2,0,0,0,0|0,0,2]=4 9249 B15R0.2002 CCCCCCCCCCC(=O)COCC 1458a_100000211967_100000210319 [0,2,0,0,0,0|0,0,2]=4 9250 B15R0.2002 CCOCC(=O)CCCCCCCCCO 1458a_100000211967_100009813782 [0,2,0,0,0,0|1,0,1]=4 9251 B15R0.2002 COC=CC(=O)CCCCCCCCCO 1458a_100016268678_100009813782 [0,2,0,0,0,0|1,0,1]=4 9252 B15R0.2002 COCCC(=O)CCCCCCCCCF 1458a_200009909015_100000233755 [0,2,0,0,0,0|1,0,1]=4 9253 B15R0.2002 COCCC(=O)CCCCCCCCCO 1458a_100000749529_100009813782 [0,2,0,0,0,0|1,0,1]=4 9254 B15R0.1158 C=CCCCCCCOCP(=O)(OC)OC 34a_100000101693_100011215473 [0,2,0,0,0,0|2,0,0]=4 9255 B15R0.1158 C=CCCCCCOCCP(=O)(OC)OC 34a_200000043213_100000700193 [0,2,0,0,0,0|2,0,0]=4 9256 B13R1.28 C=CCCCCCN1CC=CCC1 2230a_100000698166_100000700193 [1,0,0,1,0,0|2,0,0]=4 9257 B13R1.28 C=CCCCCCN1CC=CCC1 269982a_100000698166_100000700193 [1,0,0,1,0,0|2,0,0]=4 9258 B13R1.28 C=CCCCCCN1CC=CCC1 34a_100000698166_100000700193 [1,0,0,1,0,0|2,0,0]=4 9259 B13R1.28 C=CCCCCCN1CCCOC1 2230a_100000131196_100000700193 [1,0,0,1,0,0|1,0,1]=4 9260 B13R1.28 C=CCCCCCN1CCCOC1 269982a_100000131196_100000700193 [1,0,0,1,0,0|1,0,1]=4 9261 B13R1.28 C=CCCCCCN1CCCOC1 34a_100000131196_100000700193 [1,0,0,1,0,0|1,0,1]=4 9262 B13R1.28 C=CCCCCNC1CCCOC1 2230a_100000719290_100011215482 [1,0,0,1,0,0|1,0,1]=4 9263 B13R1.28 C=CCCCCNC1CCCOC1 270004a_100000703577_100000753404 [1,0,0,1,0,0|1,0,1]=4 9264 B13R1.28 C=CCCCCNC1CCCOC1 34a_100000703577_100000693364 [1,0,0,1,0,0|1,0,1]=4 9265 B13R1.28 C=CCCCCNC1CCCOC1 34a_100000719290_100011215482 [1,0,0,1,0,0|1,0,1]=4 9266 B13R1.28 C=CCCCCOC1CC=CCC1 34a_100000073881_100011215482 [1,0,0,1,0,0|2,0,0]=4 9267 B13R1.28 C=CCCCCOC1CCCOC1 34a_100000754041_100011215482 [1,0,0,1,0,0|1,0,1]=4 9268 B13R1.28 C=CCCCCOC1CCCOC1 34a_100000766645_100000693364 [1,0,0,1,0,0|1,0,1]=4 9269 B13R1.28 C=CCCCCOC1CCCOC1 7a_100000766645_100000693364 [1,0,0,1,0,0|1,0,1]=4 9270 B13R1.28 C=CCCCCSC1CCCOC1 62a_100011215482_100000693364 [1,0,0,1,0,0|1,0,1]=4 9271 B13R1.28 C=CCCCNCC1CC=CCC1 270004a_100000700776_100000189434 [1,0,0,1,0,0|2,0,0]=4 9272 B13R1.28 C=CCCCNCC1CCCOC1 2230a_100000700776_100000741521 [1,0,0,1,0,0|1,0,1]=4 9273 B13R1.28 C=CCCCNCC1CCCOC1 2230a_100000720124_100011713584 [1,0,0,1,0,0|1,0,1]=4 9274 B13R1.28 C=CCCCNCC1CCCOC1 34a_100000700776_100000741521 [1,0,0,1,0,0|1,0,1]=4 9275 B13R1.28 C=CCCCNCC1CCCOC1 34a_100000720124_100000757094 [1,0,0,1,0,0|1,0,1]=4 9276 B13R1.28 C=CCCCOCC1CC=CCC1 34a_100000210713_100000757094 [1,0,0,1,0,0|2,0,0]=4 9277 B13R1.28 C=CCCCOCC1CCCOC1 34a_100000741520_100000757094 [1,0,0,1,0,0|1,0,1]=4 9278 B13R1.28 C=CCCCOCC1CCCOC1 34a_100000758997_100000741521 [1,0,0,1,0,0|1,0,1]=4 9279 B13R1.28 C=CCCCOCC1CCCOC1 7a_100000758997_100000741521 [1,0,0,1,0,0|1,0,1]=4 9280 B13R1.28 C=CCCCSCC1CCCOC1 62a_100000741521_100000757094 [1,0,0,1,0,0|1,0,1]=4 9281 B13R1.28 C=CCCCSCC1CCCOC1 62a_100011713584_100000741521 [1,0,0,1,0,0|1,0,1]=4 9282 B13R1.28 COCCCCOC1C=CCCC1 34a_100011215024_100000755781 [1,0,0,1,0,0|1,0,1]=4 9283 B13R1.28 COCCCCSC1C=CCCC1 62a_100000730899_100000751183 [1,0,0,1,0,0|1,0,1]=4 9284 B13R1.28 COCCCCSC1C=CCCC1 62a_100000751183_100000730899 [1,0,0,1,0,0|1,0,1]=4 9285 B13R1.84 C=CCCNC1CCCCC1OC 270004a_100015191253_100000740605 [1,0,0,1,0,0|1,0,1]=4 9286 B13R1.84 C=CCCNC1CCCCC1OC 34a_100011208099_100000754431 [1,0,0,1,0,0|1,0,1]=4 9287 B13R1.84 C=CCCO[C@H]1CCCC[C@@H]1OC 34a_200009815850_100000754431 [1,0,0,1,0,0|1,0,1]=4 9288 B13R1.84 C=CCCO[C@H]1CCCC[C@@H]1OC 7a_200009815850_100000754431 [1,0,0,1,0,0|1,0,1]=4 9289 B13R1.119 C=CCCCCCCN1CC=CC1 269982a_100015195280_100011215473 [1,0,0,1,0,0|2,0,0]=4 9290 B13R1.119 C=CCCCCCNC1CC=CC1 2230a_100015188752_100000700193 [1,0,0,1,0,0|2,0,0]=4 9291 B13R1.119 C=CCCCCCN[C@@H]1CCOC1 2230a_200015188469_100000700193 [1,0,0,1,0,0|1,0,1]=4 9292 B13R1.119 C=CCCCCCN[C@H]1CCOC1 2230a_100015188467_100000700193 [1,0,0,1,0,0|1,0,1]=4 9293 B13R1.119 C=CCCCCCN[C@H]1CCOC1 34a_100015188467_100000700193 [1,0,0,1,0,0|1,0,1]=4 9294 B13R1.119 C=CCCCCCOC1CCOC1 34a_100011216702_100000690089 [1,0,0,1,0,0|1,0,1]=4 9295 B13R1.119 C=CCCCCCOC1CCOC1 7a_100011216702_100000731011 [1,0,0,1,0,0|1,0,1]=4 9296 B13R1.119 C=CCCCCCO[C@H]1CCOC1 34a_100000717292_100000700193 [1,0,0,1,0,0|1,0,1]=4 9297 B13R1.119 C=CCCCCCSC1CCOC1 62a_100000700193_100000690089 [1,0,0,1,0,0|1,0,1]=4 9298 B13R1.119 C=CCCCCNCC1CCOC1 2230a_100000703577_100000702531 [1,0,0,1,0,0|1,0,1]=4 9299 B13R1.119 C=CCCCCNCC1CCOC1 2230a_100000737293_100011215482 [1,0,0,1,0,0|1,0,1]=4 9300 B13R1.119 C=CCCCCNCC1CCOC1 34a_100000703577_100011261433 [1,0,0,1,0,0|1,0,1]=4 9301 B13R1.119 C=CCCCCNCC1CCOC1 34a_100000737293_100011215482 [1,0,0,1,0,0|1,0,1]=4 9302 B13R1.119 C=CCCCCOCC1CC=CC1 34a_100000688395_100011215482 [1,0,0,1,0,0|2,0,0]=4 9303 B13R1.119 C=CCCCCOCC1CCOC1 34a_100000740260_100011215482 [1,0,0,1,0,0|1,0,1]=4 9304 B13R1.119 C=CCCCCOCC1CCOC1 34a_100000766645_100011261433 [1,0,0,1,0,0|1,0,1]=4 9305 B13R1.119 C=CCCCCOCC1CCOC1 7a_100000766645_100000702531 [1,0,0,1,0,0|1,0,1]=4 9306 B13R1.119 C=CCCCCSCC1CCOC1 62a_100000702531_100011215482 [1,0,0,1,0,0|1,0,1]=4 9307 B13R1.119 C=CCCCCSCC1CCOC1 62a_100011215482_100000702531 [1,0,0,1,0,0|1,0,1]=4 9308 B13R1.119 C=CCCCOCCC1CCOC1 34a_100011879284_100000757094 [1,0,0,1,0,0|1,0,1]=4 9309 B13R1.192 C=CCCCCN1CCC1COC 2230a_100015195929_100011215482 [1,0,0,1,0,0|1,0,1]=4 9310 B13R1.192 C=CCCCCN1CCC1COC 269982a_100015195929_100011215482 [1,0,0,1,0,0|1,0,1]=4 9311 B13R1.192 C=CCCCCN1CCC1COC 34a_100015195929_100011215482 [1,0,0,1,0,0|1,0,1]=4 9312 B13R1.485 C=CCCN1CCCCC1COC 2230a_100015184032_100000754431 [1,0,0,1,0,0|1,0,1]=4 9313 B13R1.485 C=CCCN1CCCCC1COC 269982a_100015184032_100000754431 [1,0,0,1,0,0|1,0,1]=4 9314 B13R1.485 C=CCCN1CCCCC1COC 34a_100015184032_100000754431 [1,0,0,1,0,0|1,0,1]=4 9315 B13R1.485 C=CCN1CCCCC1CCOC 2230a_100015186528_100000210623 [1,0,0,1,0,0|1,0,1]=4 9316 B13R1.485 C=CCN1CCCCC1CCOC 269982a_100015186528_100000210623 [1,0,0,1,0,0|1,0,1]=4 9317 B13R1.485 C=CCN1CCCCC1CCOC 34a_100015186528_100015514636 [1,0,0,1,0,0|1,0,1]=4 9318 B13R1.560 C=CCCCCCCNC1COC1 2230a_100016991112_100011215473 [1,0,0,1,0,0|1,0,1]=4 9319 B13R1.560 C=CCCCCCCOC1COC1 34a_200011216477_100009818527 [1,0,0,1,0,0|1,0,1]=4 9320 B13R1.560 C=CCCCCCCOC1COC1 7a_200011216477_100009818527 [1,0,0,1,0,0|1,0,1]=4 9321 B13R1.560 C=CCCCCCCSC1COC1 62a_100011215473_100009818527 [1,0,0,1,0,0|1,0,1]=4 9322 B13R1.560 C=CCCCCCNCC1COC1 2230a_100015281925_100000700193 [1,0,0,1,0,0|1,0,1]=4 9323 B13R1.560 C=CCCCCCNCC1COC1 34a_100015281925_100000700193 [1,0,0,1,0,0|1,0,1]=4 9324 B13R1.560 C=CCCCCCOCC1COC1 34a_100000060846_100000700193 [1,0,0,1,0,0|1,0,1]=4 9325 B13R1.560 C=CCCCCCOCC1COC1 34a_100011216702_100010264016 [1,0,0,1,0,0|1,0,1]=4 9326 B13R1.560 C=CCCCCCOCC1COC1 7a_100011216702_100010264016 [1,0,0,1,0,0|1,0,1]=4 9327 B13R1.560 C=CCCCCCSCC1COC1 62a_100000700193_100010264016 [1,0,0,1,0,0|1,0,1]=4 9328 B13R1.560 C=CCCCCCSCC1COC1 62a_100010264016_100000700193 [1,0,0,1,0,0|1,0,1]=4 9329 B13R1.560 C=CCCCCOCCC1COC1 34a_100009855314_100011215482 [1,0,0,1,0,0|1,0,1]=4 9330 B13R1.659 C=CCCCCCCOCC1CO1 34a_200011216477_102125554688 [1,0,0,1,0,0|1,0,1]=4 9331 B13R1.659 C=CCCCCCCOCC1CO1 7a_200011216477_102125554688 [1,0,0,1,0,0|1,0,1]=4 9332 B13R1.659 C=CCCCCCCOC[C@@H]1CO1 34a_100000757423_100011215473 [1,0,0,1,0,0|1,0,1]=4 9333 B13R1.659 C=CCCCCCCOC[C@@H]1CO1 7a_200011216477_100000745022 [1,0,0,1,0,0|1,0,1]=4 9334 B13R1.659 C=CCCCCCCSCC1CO1 62a_100011215473_102125554688 [1,0,0,1,0,0|1,0,1]=4 9335 B13R1.659 C=CCCCCCCSCC1CO1 62a_102125554688_100011215473 [1,0,0,1,0,0|1,0,1]=4 9336 B13R1.659 C=CCCCCCCSC[C@@H]1CO1 62a_100000745022_100011215473 [1,0,0,1,0,0|1,0,1]=4 9337 B13R1.659 C=CCCCCCCSC[C@@H]1CO1 62a_100011215473_100000745022 [1,0,0,1,0,0|1,0,1]=4 9338 B13R1.659 C=CCCCCCOCCC1CO1 34a_100011216702_100000732470 [1,0,0,1,0,0|1,0,1]=4 9339 B13R1.659 C=CCCCCCOCCC1CO1 7a_100011216702_100000732470 [1,0,0,1,0,0|1,0,1]=4 9340 B13R1.659 C=CCCCCCOCC[C@@H]1CO1 34a_100009820653_100000700193 [1,0,0,1,0,0|1,0,1]=4 9341 B13R1.659 C=CCCCCCSCCC1CO1 62a_100000700193_100000732470 [1,0,0,1,0,0|1,0,1]=4 9342 B13R1.659 C=CCCCCCSCCC1CO1 62a_100000732470_100000700193 [1,0,0,1,0,0|1,0,1]=4 9343 B13R1.659 C=CCCCCNCCCC1CO1 2230a_100000703577_100000733510 [1,0,0,1,0,0|1,0,1]=4 9344 B13R1.659 C=CCCCCNCCCC1CO1 34a_100000703577_100000733510 [1,0,0,1,0,0|1,0,1]=4 9345 B13R1.659 C=CCCCCOCCCC1CO1 34a_100000766645_100000733510 [1,0,0,1,0,0|1,0,1]=4 9346 B13R1.659 C=CCCCCOCCCC1CO1 7a_100000766645_100000733510 [1,0,0,1,0,0|1,0,1]=4 9347 B13R1.659 C=CCCCCSCCCC1CO1 62a_100000733510_100011215482 [1,0,0,1,0,0|1,0,1]=4 9348 B13R1.659 C=CCCCCSCCCC1CO1 62a_100011215482_100000733510 [1,0,0,1,0,0|1,0,1]=4 9349 B13R1.671 C=CCCCN1CCC[C@H]1COC 2230a_100020646714_100011713584 [1,0,0,1,0,0|1,0,1]=4 9350 B13R1.671 C=CCCCN1CCC[C@H]1COC 269982a_100020646714_100000757094 [1,0,0,1,0,0|1,0,1]=4 9351 B13R1.671 C=CCCCN1CCC[C@H]1COC 34a_100020646714_100000757094 [1,0,0,1,0,0|1,0,1]=4 9352 B13R1.1150 C/C=C/COC1C=CCCCCC1 34a_100000688657_100102629194 [1,0,0,1,0,0|2,0,0]=4 9353 B13R1.1150 CC=CCOC1C=CCCCCC1 34a_100000688657_100000070051 [1,0,0,1,0,0|2,0,0]=4 9354 B13R1.1150 COCCOC1C=CCCCCC1 34a_100000688657_100011201679 [1,0,0,1,0,0|1,0,1]=4 9355 B13R1.6 C=CCCCCN1CCNC(=O)C1 2230a_100000184651_100011215482 [1,0,0,1,0,0|2,0,0]=4 9356 B13R1.6 C=CCCCCN1CCOC(=O)C1 2230a_100000131268_100011215482 [1,0,0,1,0,0|2,0,0]=4 9357 B13R1.6 C=CCCCNC1CCNC(=O)C1 2230a_100016994916_100011713584 [1,0,0,1,0,0|2,0,0]=4 9358 B13R1.6 C=CCCCNC1CCNC(=O)C1 34a_100016994916_100000757094 [1,0,0,1,0,0|2,0,0]=4 9359 B13R1.6 C=CCCCOC1C=C(CCC1)C 34a_100011218613_100000757094 [1,0,0,1,0,0|2,0,0]=4 9360 B13R1.6 C=CCCCOC1CCCC(=O)C1 34a_100012613340_100000757094 [1,0,0,1,0,0|1,0,0]=3 9361 B13R1.6 C=CCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000757094 [1,0,0,1,0,0|2,0,0]=4 9362 B13R1.6 C=CCCOCC1CCCC(=O)N1 34a_200000102386_100000754431 [1,0,0,1,0,0|2,0,0]=4 9363 B13R1.6 C=CCCOCC1CCNC(=O)C1 34a_100009886756_100000754431 [1,0,0,1,0,0|2,0,0]=4 9364 B13R1.6 C=COCCOC1CCCC(=O)C1 34a_100012613340_100000039644 [1,0,0,1,0,0|2,0,0]=4 9365 B13R1.27 C=CCCCCCN1CNC(=O)C1 2230a_200000708111_100000700193 [1,0,0,1,0,0|2,0,0]=4 9366 B13R1.27 C=CCCCCNC1CNC(=O)C1 2230a_100000697751_100011215482 [1,0,0,1,0,0|2,0,0]=4 9367 B13R1.27 C=CCCCCNC1COC(=O)O1 34a_100000703577_100000032252 [1,0,0,1,0,0|2,0,0]=4 9368 B13R1.27 C=CCCCCOC1CCC(=O)C1 34a_100012614533_100011215482 [1,0,0,1,0,0|1,0,0]=3 9369 B13R1.27 C=CCCCCOC1CNC(=O)C1 34a_100000690082_100011215482 [1,0,0,1,0,0|2,0,0]=4 9370 B13R1.27 C=CCCCCOC1COC(=O)O1 34a_100000766645_100000032252 [1,0,0,1,0,0|2,0,0]=4 9371 B13R1.27 C=CCCCCSC1COC(=O)O1 62a_100011215482_100000032252 [1,0,0,1,0,0|2,0,0]=4 9372 B13R1.27 C=CCCCNCC1CNC(=O)C1 2230a_100016993742_100011713584 [1,0,0,1,0,0|2,0,0]=4 9373 B13R1.27 C=CCCCNCC1CNC(=O)C1 34a_100016993742_100000757094 [1,0,0,1,0,0|2,0,0]=4 9374 B13R1.27 C=CCCCNCC1CNC(=O)O1 2230a_100000700776_100000181169 [1,0,0,1,0,0|2,0,0]=4 9375 B13R1.27 C=CCCCNCC1CNC(=O)O1 34a_100000700776_100000181169 [1,0,0,1,0,0|2,0,0]=4 9376 B13R1.27 C=CCCCNCC1COC(=O)O1 34a_100000700776_100000073702 [1,0,0,1,0,0|2,0,0]=4 9377 B13R1.27 C=CCCCNC[C@@H]1CCC(=O)N1 2230a_100000700776_100015189358 [1,0,0,1,0,0|2,0,0]=4 9378 B13R1.27 C=CCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100011713584 [1,0,0,1,0,0|2,0,0]=4 9379 B13R1.27 C=CCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000757094 [1,0,0,1,0,0|2,0,0]=4 9380 B13R1.27 C=CCCCOCC1CCC(=O)N1 34a_100000737831_100000757094 [1,0,0,1,0,0|2,0,0]=4 9381 B13R1.27 C=CCCCOCC1CNC(=O)C1 34a_100016041077_100000757094 [1,0,0,1,0,0|2,0,0]=4 9382 B13R1.27 C=CCCCOCC1CNC(=O)O1 34a_100000758997_100000181169 [1,0,0,1,0,0|2,0,0]=4 9383 B13R1.27 C=CCCCOCC1CNC(=O)O1 34a_100011315639_100000757094 [1,0,0,1,0,0|2,0,0]=4 9384 B13R1.27 C=CCCCOCC1CNC(=O)O1 7a_100000758997_100000181169 [1,0,0,1,0,0|2,0,0]=4 9385 B13R1.27 C=CCCCOCC1COC(=O)O1 34a_100000758997_100000073702 [1,0,0,1,0,0|2,0,0]=4 9386 B13R1.27 C=CCCCOC[C@@H]1CCC(=O)N1 7a_100000758997_100015189358 [1,0,0,1,0,0|2,0,0]=4 9387 B13R1.27 C=CCCCSCC1CNC(=O)O1 62a_100000181169_100000757094 [1,0,0,1,0,0|2,0,0]=4 9388 B13R1.27 C=CCCCSCC1CNC(=O)O1 62a_100011713584_100000181169 [1,0,0,1,0,0|2,0,0]=4 9389 B13R1.27 C=CCCCSCC1COC(=O)O1 62a_100000073702_100000757094 [1,0,0,1,0,0|2,0,0]=4 9390 B13R1.27 C=CCCCSCC1COC(=O)O1 62a_100011713584_100000073702 [1,0,0,1,0,0|2,0,0]=4 9391 B13R1.27 C=CCCCSC[C@@H]1CCC(=O)N1 62a_100011713584_100015189358 [1,0,0,1,0,0|2,0,0]=4 9392 B13R1.27 C=CCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000757094 [1,0,0,1,0,0|2,0,0]=4 9393 B13R1.158 CC(=O)CCCN1CCCCC1=O 1458a_100011236284_200000210301 [1,0,0,1,0,0|2,0,0]=4 9394 B13R1.158 CC(=O)CCOC1CCCCC1=O 34a_100000759926_100000754470 [1,0,0,1,0,0|2,0,0]=4 9395 B13R1.158 CC(=O)CCOC1CCCCC1=O 7a_100000759926_100000204591 [1,0,0,1,0,0|2,0,0]=4 9396 B13R1.158 CC(=O)CCSC1CCCCC1=O 62a_100000053229_100000204591 [1,0,0,1,0,0|2,0,0]=4 9397 B13R1.158 CC(=O)CCSC1CCCCC1=O 62a_100000204591_100000053229 [1,0,0,1,0,0|2,0,0]=4 9398 B13R1.158 [13CH3]C(=O)CCCN1CCCCC1=O 1458a_100011236284_200025704644 [1,0,0,1,0,0|2,0,0]=4 9399 B13R1.167 CC(=O)CCCOC1CCCC1=O 34a_100000759063_100000709159 [1,0,0,1,0,0|2,0,0]=4 9400 B13R1.167 CC(=O)CCCOC1CCCC1=O 34a_200000719330_100000685027 [1,0,0,1,0,0|2,0,0]=4 9401 B13R1.167 CC(=O)CCCOC1CCCC1=O 7a_100000759063_100000211823 [1,0,0,1,0,0|2,0,0]=4 9402 B13R1.167 CC(=O)CCCSC1CCCC1=O 62a_100000211823_100011215641 [1,0,0,1,0,0|2,0,0]=4 9403 B13R1.167 CC(=O)CCCSC1CCCC1=O 62a_100011215641_100000211823 [1,0,0,1,0,0|2,0,0]=4 9404 B13R1.224 C=CCN1CCCCCC1C(=O)O 269956a_100000758484_100000210623 [1,0,0,1,0,0|1,0,0]=3 9405 B13R1.224 O=CCN1CCCCCC1C(=O)O 269956a_100000758484_200015260668 [1,0,0,1,0,0|2,0,0]=4 9406 B13R1.280 CC(=O)CCN1CCCCCC1=O 1458a_200011207554_200000210301 [1,0,0,1,0,0|2,0,0]=4 9407 B13R1.280 O=C(O)CNC1CCCCCC1=O 269956a_100016091260_100000243696 [1,0,0,1,0,0|2,0,0]=4 9408 B13R1.280 [13CH3]C(=O)CCN1CCCCCC1=O 1458a_200011207554_200025704644 [1,0,0,1,0,0|2,0,0]=4 9409 B13R1.297 CC(=O)CCCCSC1CCC1=O 62a_100000735457_100009892977 [1,0,0,1,0,0|2,0,0]=4 9410 B13R1.297 CC(=O)CCCCSC1CCC1=O 62a_100009892977_100000735457 [1,0,0,1,0,0|2,0,0]=4 9411 B13R1.297 CC(=O)CCOCCC1CCC1=O 7a_100000759926_200016118888 [1,0,0,1,0,0|2,0,0]=4 9412 B13R1.297 CC(=O)CCSCCC1CCC1=O 62a_100000053229_200016118888 [1,0,0,1,0,0|2,0,0]=4 9413 B13R1.297 CC(=O)CCSCCC1CCC1=O 62a_200016118888_100000053229 [1,0,0,1,0,0|2,0,0]=4 9414 B13R1.337 CC(=O)CCCCC1CCCCC1 1458a_200011215547_200000210301 [1,0,0,1,0,0|0,0,2]=4 9415 B13R1.337 CC(=O)CCCOC1C=CCCC1 34a_100011215024_100000685027 [1,0,0,1,0,0|1,0,0]=3 9416 B13R1.337 CC(=O)CCCOC1C=CCCC1 7a_100000759063_100000751183 [1,0,0,1,0,0|1,0,0]=3 9417 B13R1.337 CC(=O)CCCSC1C=CCCC1 62a_100000751183_100011215641 [1,0,0,1,0,0|1,0,0]=3 9418 B13R1.337 CC(=O)CCCSC1C=CCCC1 62a_100011215641_100000751183 [1,0,0,1,0,0|1,0,0]=3 9419 B13R1.337 CC(=O)NCCNC1C=CCCC1 2230a_100000209853_100000751183 [1,0,0,1,0,0|2,0,0]=4 9420 B13R1.337 CC(=O)NCCSC1C=CCCC1 62a_100000189650_100000751183 [1,0,0,1,0,0|2,0,0]=4 9421 B13R1.337 CC(=O)NCCSC1C=CCCC1 62a_100000751183_100000189650 [1,0,0,1,0,0|2,0,0]=4 9422 B13R1.337 CC(=O)OCCOC1C=CCCC1 34a_100011215024_100009814007 [1,0,0,1,0,0|2,0,0]=4 9423 B13R1.337 CC(=O)OCCSC1C=CCCC1 62a_100000751183_100009814007 [1,0,0,1,0,0|2,0,0]=4 9424 B13R1.337 CC(=O)OCCSC1C=CCCC1 62a_100009814007_100000751183 [1,0,0,1,0,0|2,0,0]=4 9425 B13R1.337 CS(=O)CCCNC1C=CCCC1 2230a_200000753449_100000751183 [1,0,0,1,0,0|2,0,0]=4 9426 B13R1.337 NC(=O)CCCOC1C=CCCC1 34a_100011215024_100102525003 [1,0,0,1,0,0|2,0,0]=4 9427 B13R1.337 NC(=O)CCCSC1C=CCCC1 62a_100000751183_100102525003 [1,0,0,1,0,0|2,0,0]=4 9428 B13R1.337 NC(=O)CCCSC1C=CCCC1 62a_100102525003_100000751183 [1,0,0,1,0,0|2,0,0]=4 9429 B13R1.337 [13CH3]C(=O)CCCCC1CCCCC1 1458a_200011215547_200025704644 [1,0,0,1,0,0|0,0,2]=4 9430 B13R1.362 C=CCCCCCNC1CC(=C)C1 2230a_100132301982_100000700193 [1,0,0,1,0,0|2,0,0]=4 9431 B13R1.362 C=CCCCCCSC1CC(=O)C1 62a_100009894365_100000700193 [1,0,0,1,0,0|1,0,0]=3 9432 B13R1.362 C=CCCCCNCC1CC(=C)C1 2230a_100102567296_100011215482 [1,0,0,1,0,0|2,0,0]=4 9433 B13R1.362 C=CCCCCNCC1CC(=C)C1 34a_100102567296_100011215482 [1,0,0,1,0,0|2,0,0]=4 9434 B13R1.362 C=CCCCCNCC1CC(=O)C1 2230a_100000703577_100009874392 [1,0,0,1,0,0|1,0,0]=3 9435 B13R1.362 C=CCCCCOCC1CC(=C)C1 34a_100011011225_100011215482 [1,0,0,1,0,0|2,0,0]=4 9436 B13R1.362 C=CCCCCOCC1CC(=O)C1 34a_100000101936_100011215482 [1,0,0,1,0,0|1,0,0]=3 9437 B13R1.362 C=CCCCCOCC1CC(=O)C1 7a_100000766645_100009874392 [1,0,0,1,0,0|1,0,0]=3 9438 B13R1.362 C=CCCCCSCC1CC(=O)C1 62a_100009874392_100011215482 [1,0,0,1,0,0|1,0,0]=3 9439 B13R1.362 C=CCCCCSCC1CC(=O)C1 62a_100011215482_100009874392 [1,0,0,1,0,0|1,0,0]=3 9440 B13R1.362 C=CCOCCOCC1CC(=O)C1 7a_100000037705_100009874392 [1,0,0,1,0,0|2,0,0]=4 9441 B13R1.362 C=COCCCNCC1CC(=O)C1 2230a_100000210767_100009874392 [1,0,0,1,0,0|2,0,0]=4 9442 B13R1.362 O=CCCCCCSC1CC(=O)C1 62a_100009894365_100000139337 [1,0,0,1,0,0|2,0,0]=4 9443 B13R1.362 O=CCCCCSCC1CC(=O)C1 62a_100000139335_100009874392 [1,0,0,1,0,0|2,0,0]=4 9444 B13R1.362 O=CCCCCSCC1CC(=O)C1 62a_100009874392_100000139335 [1,0,0,1,0,0|2,0,0]=4 9445 B13R1.380 C=CCN1CCCCC1CC(=O)N 2230a_100015184752_100000210623 [1,0,0,1,0,0|2,0,0]=4 9446 B13R1.380 C=CCN1CCCCC1CC(=O)N 269982a_100015184752_100000210623 [1,0,0,1,0,0|2,0,0]=4 9447 B13R1.380 C=CCN1CCCCC1CC(=O)N 34a_100015184752_100015514636 [1,0,0,1,0,0|2,0,0]=4 9448 B13R1.572 C=CCCN1CCCCC1C(=O)N 2230a_100000181395_100000754431 [1,0,0,1,0,0|2,0,0]=4 9449 B13R1.572 C=CCCN1CCCCC1C(=O)N 269982a_100000181395_100000754431 [1,0,0,1,0,0|2,0,0]=4 9450 B13R1.572 C=CCCN1CCCCC1C(=O)N 34a_100000181395_100000754431 [1,0,0,1,0,0|2,0,0]=4 9451 B13R1.572 C=CCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000754431 [1,0,0,1,0,0|1,0,0]=3 9452 B13R1.572 C=CCCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000754431 [1,0,0,1,0,0|2,0,0]=4 9453 B13R1.572 C=CCCN1CCSCC1C(=O)O 269956a_100011346106_100000754431 [1,0,0,1,0,0|2,0,0]=4 9454 B13R1.572 C=CCCN1CSCCC1C(=O)O 269956a_100015185162_100000754431 [1,0,0,1,0,0|2,0,0]=4 9455 B13R1.572 C=CCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210623 [1,0,0,1,0,0|1,0,0]=3 9456 B13R1.572 O=CCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_200015260668 [1,0,0,1,0,0|2,0,0]=4 9457 B13R1.614 CN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_200000210301 [1,0,0,1,0,0|1,0,1]=4 9458 B13R1.614 [13CH3]N[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_200025704644 [1,0,0,1,0,0|1,0,1]=4 9459 B13R1.670 C=CCCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100011713584 [1,0,0,1,0,0|2,0,0]=4 9460 B13R1.670 C=CCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011713584 [1,0,0,1,0,0|1,0,0]=3 9461 B13R1.670 C=CCCCN1CCSC1C(=O)O 269956a_100000035718_100011713584 [1,0,0,1,0,0|2,0,0]=4 9462 B13R1.670 C=CCCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100011713584 [1,0,0,1,0,0|2,0,0]=4 9463 B13R1.670 C=CCOC[C@H]1CCCN1C(=O)C 34a_100012242843_100015514636 [1,0,0,1,0,0|2,0,0]=4 9464 B13R1.670 C=CCOC[C@H]1CCCN1C(=O)C 7a_100012242843_100015514636 [1,0,0,1,0,0|2,0,0]=4 9465 B13R1.670 C=COCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000039644 [1,0,0,1,0,0|2,0,0]=4 9466 B13R1.670 O=CCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_200011292268 [1,0,0,1,0,0|2,0,0]=4 9467 B13R1.1022 C=C(C)COC1C=CCCCCC1 34a_100000688657_100000748629 [1,0,0,1,0,0|2,0,0]=4 9468 B13R1.1022 NC(=O)COC1C=CCCCCC1 34a_100000688657_100000187820 [1,0,0,1,0,0|2,0,0]=4 9469 B13R1.1022 O=C([O-])COC1C=CCCCCC1 34a_100000688657_100020667443 [1,0,0,1,0,0|1,0,1]=4 9470 B13R1.1148 C=CCCCN1CCCNC(=O)C1 2230a_100015190381_100011713584 [1,0,0,1,0,0|2,0,0]=4 9471 B13R1.3435 C=CCCCCN1CCC1C(=O)O 269956a_100000021838_100011215482 [1,0,0,1,0,0|1,0,0]=3 9472 B13R1.3435 O=CCCCCN1CCC1C(=O)O 269956a_100000021838_100000139335 [1,0,0,1,0,0|2,0,0]=4 9473 B13R1.9 C=CCCCNC1CCC(=O)NC1 2230a_100000748762_100011713584 [1,0,0,1,0,0|2,0,0]=4 9474 B13R1.9 C=CCCCNC1CCC(=O)NC1 34a_100000748762_100000757094 [1,0,0,1,0,0|2,0,0]=4 9475 B13R1.9 C=CCCCOC1CCC(=O)CC1 34a_100000764474_100000757094 [1,0,0,1,0,0|2,0,0]=4 9476 B13R1.9 C=CCCCOC1CCC(=O)CC1 7a_100000764474_100000757094 [1,0,0,1,0,0|2,0,0]=4 9477 B13R1.9 C=CCCCOC1CCC(=O)NC1 34a_100000079199_100000757094 [1,0,0,1,0,0|2,0,0]=4 9478 B13R1.9 C=CCCOCC1CCC(=O)CC1 34a_100000062911_100000754431 [1,0,0,1,0,0|2,0,0]=4 9479 B13R1.16 C=CCNCC1CCCC(=O)N1C 2230a_200010383782_100000210623 [1,0,0,1,0,0|2,0,0]=4 9480 B13R1.16 C=CCNCC1CCCC(=O)N1C 34a_200010383782_100015514636 [1,0,0,1,0,0|2,0,0]=4 9481 B13R1.91 CCC1CCCCN1CC(=O)OC 2230a_100000210034_100000747449 [1,0,0,1,0,0|1,0,1]=4 9482 B13R1.91 CCC1CCCCN1CC(=O)OC 269982a_100000210034_100000747449 [1,0,0,1,0,0|1,0,1]=4 9483 B13R1.91 CCC1CCCCN1CC(=O)OC 34a_100000210034_100000747449 [1,0,0,1,0,0|1,0,1]=4 9484 B13R1.91 COC(=O)CN1CCCCC1CO 2230a_100000210821_100000747449 [1,0,0,1,0,0|2,0,0]=4 9485 B13R1.91 COC(=O)CN1CCCCC1CO 269982a_100000210821_100000747449 [1,0,0,1,0,0|2,0,0]=4 9486 B13R1.91 COC(=O)CN1CCCCC1CO 34a_100000210821_100000747449 [1,0,0,1,0,0|2,0,0]=4 9487 B13R1.382 C=CCN1CCCCC1C(=O)NC 2230a_100011209383_100000210623 [1,0,0,1,0,0|2,0,0]=4 9488 B13R1.382 C=CCN1CCCCC1C(=O)NC 269982a_100011209383_100000210623 [1,0,0,1,0,0|2,0,0]=4 9489 B13R1.382 C=CCN1CCCCC1C(=O)NC 34a_100011209383_100015514636 [1,0,0,1,0,0|2,0,0]=4 9490 B13R1.382 C=CCN1CCCCC1C(=O)OC 2230a_100000734855_100000210623 [1,0,0,1,0,0|1,0,0]=3 9491 B13R1.382 C=CCN1CCCCC1C(=O)OC 269982a_100000734855_100000210623 [1,0,0,1,0,0|1,0,0]=3 9492 B13R1.382 C=CCN1CCCCC1C(=O)OC 34a_100000734855_100015514636 [1,0,0,1,0,0|1,0,0]=3 9493 B13R1.382 C=CCN1CCOCC1C(=O)OC 2230a_100000765174_100000210623 [1,0,0,1,0,0|2,0,0]=4 9494 B13R1.382 C=CCN1CCOCC1C(=O)OC 34a_100000765174_100015514636 [1,0,0,1,0,0|2,0,0]=4 9495 B13R1.382 CCCN1CCCCC1C(=O)OC 2230a_100000734855_100000210303 [1,0,0,1,0,0|1,0,1]=4 9496 B13R1.382 CCCN1CCCCC1C(=O)OC 269982a_100000734855_100000210303 [1,0,0,1,0,0|1,0,1]=4 9497 B13R1.382 CCCN1CCCCC1C(=O)OC 34a_100000734855_100000210303 [1,0,0,1,0,0|1,0,1]=4 9498 B13R1.382 CCO[C@H]1CCCC[C@H]1C(=O)OC 34a_100015709673_100000210202 [1,0,0,1,0,0|1,0,1]=4 9499 B13R1.382 CCO[C@H]1CCCC[C@H]1C(=O)OC 7a_100015709673_100000210202 [1,0,0,1,0,0|1,0,1]=4 9500 B13R1.382 COC(=O)C1CCCCN1CC=O 2230a_100000734855_200015260668 [1,0,0,1,0,0|2,0,0]=4 9501 B13R1.382 COC(=O)C1CCCCN1CC=O 269982a_100000734855_200015260668 [1,0,0,1,0,0|2,0,0]=4 9502 B13R1.382 COC(=O)C1CCCCN1CC=O 34a_100000734855_200009817547 [1,0,0,1,0,0|2,0,0]=4 9503 B13R1.382 COC(=O)C1CCCCN1CCF 2230a_100000734855_100011217306 [1,0,0,1,0,0|2,0,0]=4 9504 B13R1.382 COC(=O)C1CCCCN1CCF 269982a_100000734855_100011217306 [1,0,0,1,0,0|2,0,0]=4 9505 B13R1.382 COC(=O)C1CCCCN1CCF 34a_100000734855_100011217306 [1,0,0,1,0,0|2,0,0]=4 9506 B13R1.382 COC(=O)C1CCCCN1CCO 2230a_100000734855_100000211926 [1,0,0,1,0,0|2,0,0]=4 9507 B13R1.382 COC(=O)C1CCCCN1CCO 269982a_100000734855_100000211926 [1,0,0,1,0,0|2,0,0]=4 9508 B13R1.382 COC(=O)C1CCCCN1CCO 34a_100000734855_100000211926 [1,0,0,1,0,0|2,0,0]=4 9509 B13R1.382 COC(=O)[C@@H]1CCCC[C@@H]1OCF 34a_100015709673_100015361967 [1,0,0,1,0,0|2,0,0]=4 9510 B13R1.382 COC(=O)[C@@H]1CCCC[C@@H]1OCF 7a_100015709673_100015361967 [1,0,0,1,0,0|2,0,0]=4 9511 B13R1.393 C=CCN1CCC[C@@H]1CC(=O)OC 2230a_100025726698_100000210623 [1,0,0,1,0,0|1,0,0]=3 9512 B13R1.393 C=CCN1CCC[C@@H]1CC(=O)OC 269982a_100025726698_100000210623 [1,0,0,1,0,0|1,0,0]=3 9513 B13R1.393 C=CCN1CCC[C@@H]1CC(=O)OC 34a_100025726698_100015514636 [1,0,0,1,0,0|1,0,0]=3 9514 B13R1.393 CCCN1CCC[C@@H]1CC(=O)OC 2230a_100025726698_100000210303 [1,0,0,1,0,0|1,0,1]=4 9515 B13R1.393 CCCN1CCC[C@@H]1CC(=O)OC 269982a_100025726698_100000210303 [1,0,0,1,0,0|1,0,1]=4 9516 B13R1.393 CCCN1CCC[C@@H]1CC(=O)OC 34a_100025726698_100000210303 [1,0,0,1,0,0|1,0,1]=4 9517 B13R1.393 COC(=O)C[C@H]1CCCN1CC=O 2230a_100025726698_200015260668 [1,0,0,1,0,0|2,0,0]=4 9518 B13R1.393 COC(=O)C[C@H]1CCCN1CC=O 269982a_100025726698_200015260668 [1,0,0,1,0,0|2,0,0]=4 9519 B13R1.393 COC(=O)C[C@H]1CCCN1CC=O 34a_100025726698_200009817547 [1,0,0,1,0,0|2,0,0]=4 9520 B13R1.393 COC(=O)C[C@H]1CCCN1CCF 2230a_100025726698_100011217306 [1,0,0,1,0,0|2,0,0]=4 9521 B13R1.393 COC(=O)C[C@H]1CCCN1CCF 269982a_100025726698_100011217306 [1,0,0,1,0,0|2,0,0]=4 9522 B13R1.393 COC(=O)C[C@H]1CCCN1CCF 34a_100025726698_100011217306 [1,0,0,1,0,0|2,0,0]=4 9523 B13R1.393 COC(=O)C[C@H]1CCCN1CCO 2230a_100025726698_100000211926 [1,0,0,1,0,0|2,0,0]=4 9524 B13R1.393 COC(=O)C[C@H]1CCCN1CCO 269982a_100025726698_100000211926 [1,0,0,1,0,0|2,0,0]=4 9525 B13R1.393 COC(=O)C[C@H]1CCCN1CCO 34a_100025726698_100000211926 [1,0,0,1,0,0|2,0,0]=4 9526 B13R1.528 COC(=O)CCN1CCCCC1C 2230a_100000211376_100000204255 [1,0,0,1,0,0|1,0,1]=4 9527 B13R1.528 COC(=O)CCN1CCCCC1C 269982a_100000211376_100000204255 [1,0,0,1,0,0|1,0,1]=4 9528 B13R1.528 COC(=O)CCN1CCCCC1C 34a_100000211376_100000742370 [1,0,0,1,0,0|1,0,1]=4 9529 B13R1.528 COC(=O)CNC1CCCCC1C 2230a_100000211402_100000747449 [1,0,0,1,0,0|1,0,1]=4 9530 B13R1.528 COC(=O)CNC1CCCCC1C 34a_100000211402_100000747449 [1,0,0,1,0,0|1,0,1]=4 9531 B13R1.528 COC(=O)CN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000747449 [1,0,0,1,0,0|2,0,0]=4 9532 B13R1.528 COC(=O)CN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000747449 [1,0,0,1,0,0|2,0,0]=4 9533 B13R1.528 COC(=O)COC1CCCCC1=O 34a_100011214950_100000747449 [1,0,0,1,0,0|2,0,0]=4 9534 B13R1.528 COC(=O)COC1CCCCC1C 34a_100000211207_100000747449 [1,0,0,1,0,0|1,0,1]=4 9535 B13R1.528 COC(=O)COC1CCCCC1C 7a_100000211207_100000747449 [1,0,0,1,0,0|1,0,1]=4 9536 B13R1.528 COC(=O)COC1CCCCC1Cl 34a_100000038908_100000747449 [1,0,0,1,0,0|2,0,0]=4 9537 B13R1.528 COC(=O)COC1CCCCC1Cl 7a_100000038908_100000747449 [1,0,0,1,0,0|2,0,0]=4 9538 B13R1.528 COC(=O)CO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000747449 [1,0,0,1,0,0|2,0,0]=4 9539 B13R1.528 COC(=O)CO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000747449 [1,0,0,1,0,0|2,0,0]=4 9540 B13R1.528 COC(=O)CO[C@H]1CCCC[C@H]1N 34a_100015191688_100000747449 [1,0,0,1,0,0|2,0,0]=4 9541 B13R1.528 COC(=O)CSC1CCCCC1=O 62a_100000204591_100000747449 [1,0,0,1,0,0|2,0,0]=4 9542 B13R1.528 COC(=O)CSC1CCCCC1=O 62a_100000747449_100000204591 [1,0,0,1,0,0|2,0,0]=4 9543 B13R1.528 COC(=O)CSC1CCCCC1F 62a_100000747449_100015423560 [1,0,0,1,0,0|2,0,0]=4 9544 B13R1.528 COC(=O)CSC1CCCCC1F 62a_100015423560_100000747449 [1,0,0,1,0,0|2,0,0]=4 9545 B13R1.528 COC(=O)CSC1CCCCC1O 62a_100000038908_100000747449 [1,0,0,1,0,0|2,0,0]=4 9546 B13R1.528 COC(=O)CSC1CCCCC1O 62a_100000747449_100000038908 [1,0,0,1,0,0|2,0,0]=4 9547 B13R1.536 COC(=O)CCCCN1CCCC1 2230a_100000188435_100000204269 [1,0,0,1,0,0|1,0,1]=4 9548 B13R1.536 COC(=O)CCCCN1CCCC1 269982a_100000188435_100000204269 [1,0,0,1,0,0|1,0,1]=4 9549 B13R1.536 COC(=O)CCCNC1CCCC1 2230a_100000211070_100011218270 [1,0,0,1,0,0|1,0,1]=4 9550 B13R1.536 COC(=O)CCCNC1CCCC1 34a_100000211070_100000742333 [1,0,0,1,0,0|1,0,1]=4 9551 B13R1.536 COC(=O)CCCOC1CCCC1 34a_100000210269_100000742333 [1,0,0,1,0,0|1,0,1]=4 9552 B13R1.536 COC(=O)CCCOC1CCCC1 7a_100000210269_100011218270 [1,0,0,1,0,0|1,0,1]=4 9553 B13R1.536 COC(=O)CCCOC1CCCO1 34a_100000085407_100000742333 [1,0,0,1,0,0|2,0,0]=4 9554 B13R1.536 COC(=O)CCCSC1CCCC1 62a_100011217020_100011218270 [1,0,0,1,0,0|1,0,1]=4 9555 B13R1.536 COC(=O)CCCSC1CCCC1 62a_100011218270_100000179811 [1,0,0,1,0,0|1,0,1]=4 9556 B13R1.536 COC(=O)CCNCC1CCCC1 2230a_100000737975_100000204255 [1,0,0,1,0,0|1,0,1]=4 9557 B13R1.536 COC(=O)CCNCC1CCCC1 34a_100000737975_100000742370 [1,0,0,1,0,0|1,0,1]=4 9558 B13R1.536 COC(=O)CCNC[C@@H]1CCCO1 2230a_100020590478_100000204255 [1,0,0,1,0,0|2,0,0]=4 9559 B13R1.536 COC(=O)CCNC[C@@H]1CCCO1 34a_100020590478_100000742370 [1,0,0,1,0,0|2,0,0]=4 9560 B13R1.536 COC(=O)CCOCC1CCCC1 34a_100000742336_100000742370 [1,0,0,1,0,0|1,0,1]=4 9561 B13R1.536 COC(=O)CCOCC1CCCC1 7a_100000742336_100000204255 [1,0,0,1,0,0|1,0,1]=4 9562 B13R1.536 COC(=O)CCOCC1CCCO1 34a_100000210270_100000742370 [1,0,0,1,0,0|2,0,0]=4 9563 B13R1.536 COC(=O)CCOCC1CCCO1 7a_100000210270_100000204255 [1,0,0,1,0,0|2,0,0]=4 9564 B13R1.536 COC(=O)CCOC[C@H]1CCCN1 34a_100000745186_100000742370 [1,0,0,1,0,0|2,0,0]=4 9565 B13R1.536 COC(=O)CCSCC1CCCC1 62a_100000204255_100000740388 [1,0,0,1,0,0|1,0,1]=4 9566 B13R1.536 COC(=O)CCSCC1CCCC1 62a_100000740388_100000204255 [1,0,0,1,0,0|1,0,1]=4 9567 B13R1.536 COC(=O)CCSCC1CCCO1 62a_100000203698_100000204255 [1,0,0,1,0,0|2,0,0]=4 9568 B13R1.536 COC(=O)CCSCC1CCCO1 62a_100000204255_100000203698 [1,0,0,1,0,0|2,0,0]=4 9569 B13R1.536 COC(=O)CNCCC1CCCC1 2230a_100000739158_100000747449 [1,0,0,1,0,0|1,0,1]=4 9570 B13R1.536 COC(=O)CNCCC1CCCC1 34a_100000739158_100000747449 [1,0,0,1,0,0|1,0,1]=4 9571 B13R1.536 COC(=O)COCCC1CCCC1 34a_100000749090_100000747449 [1,0,0,1,0,0|1,0,1]=4 9572 B13R1.536 COC(=O)COCCC1CCCC1 7a_100000749090_100000747449 [1,0,0,1,0,0|1,0,1]=4 9573 B13R1.536 COC(=O)CSCCC1CCCC1 62a_100000747449_100000760354 [1,0,0,1,0,0|1,0,1]=4 9574 B13R1.536 COC(=O)CSCCC1CCCC1 62a_100000760354_100000747449 [1,0,0,1,0,0|1,0,1]=4 9575 B13R1.538 COC(=O)CCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000204269 [1,0,0,1,0,0|2,0,0]=4 9576 B13R1.538 COC(=O)CCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000204269 [1,0,0,1,0,0|2,0,0]=4 9577 B13R1.538 COC(=O)CCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000204269 [1,0,0,1,0,0|2,0,0]=4 9578 B13R1.538 COC(=O)CCCOCC1CC1C 34a_100000744939_100000742333 [1,0,0,1,0,0|1,0,1]=4 9579 B13R1.538 COC(=O)CCCOCC1CC1C 7a_100000744939_100011218270 [1,0,0,1,0,0|1,0,1]=4 9580 B13R1.539 COC(=O)CCCCCN1CCC1 269982a_100000754969_100009816466 [1,0,0,1,0,0|1,0,1]=4 9581 B13R1.539 COC(=O)CCCCNC1CCC1 2230a_100000749019_100000204269 [1,0,0,1,0,0|1,0,1]=4 9582 B13R1.539 COC(=O)CCCCNC1CCC1 34a_100000749019_100000204269 [1,0,0,1,0,0|1,0,1]=4 9583 B13R1.539 COC(=O)CCCCOC1CCC1 34a_100000059025_100000749161 [1,0,0,1,0,0|1,0,1]=4 9584 B13R1.539 COC(=O)CCCCOC1CCC1 34a_100000748187_100000204269 [1,0,0,1,0,0|1,0,1]=4 9585 B13R1.539 COC(=O)CCCCSC1CCC1 62a_100000204269_100000749161 [1,0,0,1,0,0|1,0,1]=4 9586 B13R1.539 COC(=O)CCCNCC1CCC1 2230a_100000738700_100011218270 [1,0,0,1,0,0|1,0,1]=4 9587 B13R1.539 COC(=O)CCCNCC1CCC1 34a_100000738700_100000742333 [1,0,0,1,0,0|1,0,1]=4 9588 B13R1.539 COC(=O)CCCNC[C@@H]1CCO1 2230a_100020831831_100011218270 [1,0,0,1,0,0|2,0,0]=4 9589 B13R1.539 COC(=O)CCCNC[C@@H]1CCO1 34a_100020831831_100000742333 [1,0,0,1,0,0|2,0,0]=4 9590 B13R1.539 COC(=O)CCCOCC1CCC1 34a_100000760304_100000742333 [1,0,0,1,0,0|1,0,1]=4 9591 B13R1.539 COC(=O)CCCOCC1CCO1 34a_100000039022_100000742333 [1,0,0,1,0,0|2,0,0]=4 9592 B13R1.539 COC(=O)CCCSCC1CCC1 62a_100000763275_100011218270 [1,0,0,1,0,0|1,0,1]=4 9593 B13R1.539 COC(=O)CCCSCC1CCC1 62a_100011218270_100000763275 [1,0,0,1,0,0|1,0,1]=4 9594 B13R1.539 COC(=O)CCCSCC1CCO1 62a_100000103362_100011218270 [1,0,0,1,0,0|2,0,0]=4 9595 B13R1.539 COC(=O)CCCSCC1CCO1 62a_100011218270_100000103362 [1,0,0,1,0,0|2,0,0]=4 9596 B13R1.581 C=CCCN1CCC[C@H]1C(=O)NC 2230a_100015185040_100000754431 [1,0,0,1,0,0|2,0,0]=4 9597 B13R1.581 C=CCCN1CCC[C@H]1C(=O)NC 269982a_100015185040_100000754431 [1,0,0,1,0,0|2,0,0]=4 9598 B13R1.581 C=CCCN1CCC[C@H]1C(=O)NC 34a_100015185040_100000754431 [1,0,0,1,0,0|2,0,0]=4 9599 B13R1.581 C=CCCN1CCC[C@H]1C(=O)OC 2230a_100000752040_100000754431 [1,0,0,1,0,0|1,0,0]=3 9600 B13R1.581 C=CCCN1CCC[C@H]1C(=O)OC 269982a_100000752040_100000754431 [1,0,0,1,0,0|1,0,0]=3 9601 B13R1.581 C=CCCN1CCSC1C(=O)OC 2230a_100015296106_100000754431 [1,0,0,1,0,0|2,0,0]=4 9602 B13R1.581 C=CCCN1CCSC1C(=O)OC 269982a_100015296106_100000754431 [1,0,0,1,0,0|2,0,0]=4 9603 B13R1.581 C=CCCN1CSCC1C(=O)OC 269982a_200000724679_100000754431 [1,0,0,1,0,0|2,0,0]=4 9604 B13R1.581 C=CCOC1CCCC1C(=O)OC 34a_200000081814_100015514636 [1,0,0,1,0,0|1,0,0]=3 9605 B13R1.581 C=CCOC1CCCC1C(=O)OC 7a_200000081814_100015514636 [1,0,0,1,0,0|1,0,0]=3 9606 B13R1.581 CCCCN1CCC[C@H]1C(=O)OC 2230a_100000752040_100000210211 [1,0,0,1,0,0|1,0,1]=4 9607 B13R1.581 CCCCN1CCC[C@H]1C(=O)OC 269982a_100000752040_100000210211 [1,0,0,1,0,0|1,0,1]=4 9608 B13R1.581 CCCOC1CCCC1C(=O)OC 34a_200000081814_100000210303 [1,0,0,1,0,0|1,0,1]=4 9609 B13R1.581 CCCOC1CCCC1C(=O)OC 7a_200000081814_100000210303 [1,0,0,1,0,0|1,0,1]=4 9610 B13R1.581 COC(=O)C1CCCC1OCC=O 34a_200000081814_200009817547 [1,0,0,1,0,0|2,0,0]=4 9611 B13R1.581 COC(=O)C1CCCC1OCC=O 7a_200000081814_200015260668 [1,0,0,1,0,0|2,0,0]=4 9612 B13R1.581 COC(=O)C1CCCC1OCCF 34a_200000081814_100011217306 [1,0,0,1,0,0|2,0,0]=4 9613 B13R1.581 COC(=O)C1CCCC1OCCF 7a_200000081814_100011217306 [1,0,0,1,0,0|2,0,0]=4 9614 B13R1.581 COC(=O)C1CCCC1OCCO 34a_200000081814_100000211926 [1,0,0,1,0,0|2,0,0]=4 9615 B13R1.581 COC(=O)C1CCCC1OCCO 7a_200000081814_100000211926 [1,0,0,1,0,0|2,0,0]=4 9616 B13R1.581 COC(=O)[C@@H]1CCCN1CCCF 2230a_100000752040_100011934791 [1,0,0,1,0,0|2,0,0]=4 9617 B13R1.581 COC(=O)[C@@H]1CCCN1CCCF 269982a_100000752040_100011934791 [1,0,0,1,0,0|2,0,0]=4 9618 B13R1.581 COC(=O)[C@@H]1CCCN1CCCO 2230a_100000752040_100000230001 [1,0,0,1,0,0|2,0,0]=4 9619 B13R1.581 COC(=O)[C@@H]1CCCN1CCCO 269982a_100000752040_100011215043 [1,0,0,1,0,0|2,0,0]=4 9620 B13R1.594 COC(=O)CCCCCNC1CC1 34a_100000212008_100009816466 [1,0,0,1,0,0|1,0,1]=4 9621 B13R1.594 COC(=O)CCCCCOC1CC1 34a_100000074720_100000211595 [1,0,0,1,0,0|1,0,1]=4 9622 B13R1.594 COC(=O)CCCCCSC1CC1 62a_100009816466_100000211595 [1,0,0,1,0,0|1,0,1]=4 9623 B13R1.594 COC(=O)CCCCNCC1CC1 2230a_100000735609_100000204269 [1,0,0,1,0,0|1,0,1]=4 9624 B13R1.594 COC(=O)CCCCNCC1CC1 34a_100000735609_100000204269 [1,0,0,1,0,0|1,0,1]=4 9625 B13R1.594 COC(=O)CCCCOCC1CC1 34a_100000059025_100000742324 [1,0,0,1,0,0|1,0,1]=4 9626 B13R1.594 COC(=O)CCCCOCC1CC1 34a_100000211283_100000204269 [1,0,0,1,0,0|1,0,1]=4 9627 B13R1.594 COC(=O)CCCCOCC1CC1 7a_100000059025_100000742324 [1,0,0,1,0,0|1,0,1]=4 9628 B13R1.594 COC(=O)CCCCOCC1CO1 34a_100000059025_102125554688 [1,0,0,1,0,0|2,0,0]=4 9629 B13R1.594 COC(=O)CCCCOCC1CO1 7a_100000059025_102125554688 [1,0,0,1,0,0|2,0,0]=4 9630 B13R1.594 COC(=O)CCCCOCC1CS1 7a_100000059025_100000031435 [1,0,0,1,0,0|2,0,0]=4 9631 B13R1.594 COC(=O)CCCCOC[C@@H]1CO1 34a_100000757423_100000204269 [1,0,0,1,0,0|2,0,0]=4 9632 B13R1.594 COC(=O)CCCCOC[C@@H]1CO1 7a_100000059025_100000745022 [1,0,0,1,0,0|2,0,0]=4 9633 B13R1.594 COC(=O)CCCCSCC1CC1 62a_100000204269_100000742324 [1,0,0,1,0,0|1,0,1]=4 9634 B13R1.594 COC(=O)CCCCSCC1CC1 62a_100000756562_100000204269 [1,0,0,1,0,0|1,0,1]=4 9635 B13R1.594 COC(=O)CCCCSCC1CO1 62a_100000204269_102125554688 [1,0,0,1,0,0|2,0,0]=4 9636 B13R1.594 COC(=O)CCCCSCC1CO1 62a_102125554688_100000204269 [1,0,0,1,0,0|2,0,0]=4 9637 B13R1.594 COC(=O)CCCCSCC1CS1 62a_100000031435_100000204269 [1,0,0,1,0,0|2,0,0]=4 9638 B13R1.594 COC(=O)CCCCSCC1CS1 62a_100000204269_100000031435 [1,0,0,1,0,0|2,0,0]=4 9639 B13R1.594 COC(=O)CCCCSC[C@@H]1CO1 62a_100000204269_100000745022 [1,0,0,1,0,0|2,0,0]=4 9640 B13R1.594 COC(=O)CCCCSC[C@@H]1CO1 62a_100000745022_100000204269 [1,0,0,1,0,0|2,0,0]=4 9641 B13R1.594 COC(=O)CCCNCCC1CC1 34a_100000764129_100000742333 [1,0,0,1,0,0|1,0,1]=4 9642 B13R1.594 COC(=O)CCCOCCC1CC1 34a_100000754188_100000742333 [1,0,0,1,0,0|1,0,1]=4 9643 B13R1.594 COC(=O)CCCOCCC1CC1 7a_100000754188_100011218270 [1,0,0,1,0,0|1,0,1]=4 9644 B13R1.594 COC(=O)CCCOCC[C@@H]1CO1 34a_100009820653_100000742333 [1,0,0,1,0,0|2,0,0]=4 9645 B13R1.594 COC(=O)CCCSCCC1CC1 62a_100000764125_100011218270 [1,0,0,1,0,0|1,0,1]=4 9646 B13R1.594 COC(=O)CCCSCCC1CC1 62a_100011218270_100000764125 [1,0,0,1,0,0|1,0,1]=4 9647 B13R1.594 COC(=O)CCCSCCC1CO1 62a_100000732470_100011218270 [1,0,0,1,0,0|2,0,0]=4 9648 B13R1.594 COC(=O)CCCSCCC1CO1 62a_100011218270_100000732470 [1,0,0,1,0,0|2,0,0]=4 9649 B13R1.594 COC(=O)CCSCCCC1CO1 62a_100000204255_100000733510 [1,0,0,1,0,0|2,0,0]=4 9650 B13R1.594 COC(=O)CCSCCCC1CO1 62a_100000733510_100000204255 [1,0,0,1,0,0|2,0,0]=4 9651 B13R1.595 COC(=O)CCCCN1CCC1C 269982a_100000755817_100000204269 [1,0,0,1,0,0|1,0,1]=4 9652 B13R1.595 COC(=O)CCCCN1CCC1C 34a_100000755817_100000204269 [1,0,0,1,0,0|1,0,1]=4 9653 B13R1.595 COC(=O)CCCSC1CCC1=O 62a_100009892977_100011218270 [1,0,0,1,0,0|2,0,0]=4 9654 B13R1.595 COC(=O)CCCSC1CCC1=O 62a_100011218270_100009892977 [1,0,0,1,0,0|2,0,0]=4 9655 B13R1.595 COC(=O)CSCCC1CCC1=O 62a_100000747449_200016118888 [1,0,0,1,0,0|2,0,0]=4 9656 B13R1.595 COC(=O)CSCCC1CCC1=O 62a_200016118888_100000747449 [1,0,0,1,0,0|2,0,0]=4 9657 B13R1.599 COC(=O)CCCN1CCC[C@@H]1C 2230a_100020605311_100011218270 [1,0,0,1,0,0|1,0,1]=4 9658 B13R1.599 COC(=O)CCCN1CCC[C@@H]1C 269982a_100020605311_100011218270 [1,0,0,1,0,0|1,0,1]=4 9659 B13R1.599 COC(=O)CCCN1CCC[C@H]1C 2230a_100015189458_100011218270 [1,0,0,1,0,0|1,0,1]=4 9660 B13R1.599 COC(=O)CCCN1CCC[C@H]1C 269982a_100015189458_100011218270 [1,0,0,1,0,0|1,0,1]=4 9661 B13R1.599 COC(=O)CCCN1CCC[C@H]1C 34a_100015189458_100000742333 [1,0,0,1,0,0|1,0,1]=4 9662 B13R1.599 COC(=O)CCOC1CCCC1=O 34a_200000719330_100000742370 [1,0,0,1,0,0|2,0,0]=4 9663 B13R1.599 COC(=O)CCOC1CCCC1C 34a_100011216460_100000742370 [1,0,0,1,0,0|1,0,1]=4 9664 B13R1.599 COC(=O)CCOC1CCCC1C 7a_100011216460_100000204255 [1,0,0,1,0,0|1,0,1]=4 9665 B13R1.599 COC(=O)CCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000742370 [1,0,0,1,0,0|2,0,0]=4 9666 B13R1.599 COC(=O)CCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000742370 [1,0,0,1,0,0|2,0,0]=4 9667 B13R1.599 COC(=O)CCSC1CCCC1=O 62a_100000204255_100000211823 [1,0,0,1,0,0|2,0,0]=4 9668 B13R1.599 COC(=O)CCSC1CCCC1=O 62a_100000211823_100000204255 [1,0,0,1,0,0|2,0,0]=4 9669 B13R1.599 COC(=O)CCS[C@@H]1CCC[C@H]1O 62a_100000204255_200016002552 [1,0,0,1,0,0|2,0,0]=4 9670 B13R1.599 COC(=O)CCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000204255 [1,0,0,1,0,0|2,0,0]=4 9671 B13R1.613 CCC1CCCN1CCC(=O)OC 2230a_100000754278_100000204255 [1,0,0,1,0,0|1,0,1]=4 9672 B13R1.613 CCC1CCCN1CCC(=O)OC 269982a_100000754278_100000204255 [1,0,0,1,0,0|1,0,1]=4 9673 B13R1.613 CCC1CCCN1CCC(=O)OC 34a_100000754278_100000742370 [1,0,0,1,0,0|1,0,1]=4 9674 B13R1.613 COC(=O)CCN1CCC[C@@H]1CO 2230a_100000745186_100000204255 [1,0,0,1,0,0|2,0,0]=4 9675 B13R1.613 COC(=O)CCN1CCC[C@@H]1CO 269982a_100000745186_100000204255 [1,0,0,1,0,0|2,0,0]=4 9676 B13R1.613 COC(=O)CCN1CCC[C@@H]1CO 34a_100000745186_100000742370 [1,0,0,1,0,0|2,0,0]=4 9677 B13R1.718 CCC(=O)CCCC1CCCCC1 1458a_100000210414_100011713725 [1,0,0,1,0,0|1,0,1]=4 9678 B13R1.718 CCC(=O)CCCC1CCCCC1 1458a_100000211478_100000210202 [1,0,0,1,0,0|1,0,1]=4 9679 B13R1.718 CNC(=O)CCCC1CCCCC1 11a_106832991635_100000211478 [1,0,0,1,0,0|1,0,1]=4 9680 B13R1.718 CNC(=O)CCCC1CCCCC1 1626a_100102657272_100000211478 [1,0,0,1,0,0|1,0,1]=4 9681 B13R1.718 CNC(=O)CCCC1CCCCC1 240690a_100102657272_100000211478 [1,0,0,1,0,0|1,0,1]=4 9682 B13R1.718 CNC(=O)CCCC1CCCCC1 527a_100102657272_100000211478 [1,0,0,1,0,0|1,0,1]=4 9683 B13R1.718 CNC(=O)CCNC1C=CCCC1 2230a_100000738227_100000751183 [1,0,0,1,0,0|2,0,0]=4 9684 B13R1.718 CNC(=O)CCOC1C=CCCC1 34a_100011215024_100012179268 [1,0,0,1,0,0|2,0,0]=4 9685 B13R1.718 CNC(=O)CCSC1C=CCCC1 62a_100000737683_100000751183 [1,0,0,1,0,0|2,0,0]=4 9686 B13R1.718 CNC(=O)CCSC1C=CCCC1 62a_100000751183_100000737683 [1,0,0,1,0,0|2,0,0]=4 9687 B13R1.718 COC(=O)CCNC1CCCCC1 2230a_100000182618_100000204255 [1,0,0,1,0,0|1,0,1]=4 9688 B13R1.718 COC(=O)CCNC1CCCCC1 34a_100000182618_100000742370 [1,0,0,1,0,0|1,0,1]=4 9689 B13R1.718 COC(=O)CCOC1C=CCCC1 34a_100011215024_100000742370 [1,0,0,1,0,0|1,0,0]=3 9690 B13R1.718 COC(=O)CCOC1CCCCC1 34a_100000210231_100000742370 [1,0,0,1,0,0|1,0,1]=4 9691 B13R1.718 COC(=O)CCOC1CCCCC1 7a_100000210231_100000204255 [1,0,0,1,0,0|1,0,1]=4 9692 B13R1.718 COC(=O)CCOC1CCCCO1 34a_100000033831_100000742370 [1,0,0,1,0,0|2,0,0]=4 9693 B13R1.718 COC(=O)CCSC1C=CCCC1 62a_100000204255_100000751183 [1,0,0,1,0,0|1,0,0]=3 9694 B13R1.718 COC(=O)CCSC1C=CCCC1 62a_100000751183_100000204255 [1,0,0,1,0,0|1,0,0]=3 9695 B13R1.718 COC(=O)CCSC1CCCCC1 62a_100000204255_100000210327 [1,0,0,1,0,0|1,0,1]=4 9696 B13R1.718 COC(=O)CCSC1CCCCC1 62a_100000210327_100000204255 [1,0,0,1,0,0|1,0,1]=4 9697 B13R1.718 COC(=O)CNCC1CCCCC1 2230a_100000210473_100000747449 [1,0,0,1,0,0|1,0,1]=4 9698 B13R1.718 COC(=O)CNCC1CCCCC1 34a_100000210473_100000747449 [1,0,0,1,0,0|1,0,1]=4 9699 B13R1.718 COC(=O)CNCC1CCCCO1 2230a_100000174945_100000747449 [1,0,0,1,0,0|2,0,0]=4 9700 B13R1.718 COC(=O)CNCC1CCCCO1 34a_100000174945_100000747449 [1,0,0,1,0,0|2,0,0]=4 9701 B13R1.718 COC(=O)COCC1CCCCC1 34a_100000212181_100000747449 [1,0,0,1,0,0|1,0,1]=4 9702 B13R1.718 COC(=O)COCC1CCCCC1 7a_100000212181_100000747449 [1,0,0,1,0,0|1,0,1]=4 9703 B13R1.718 COC(=O)COCC1CCCCN1 34a_100000210821_100000747449 [1,0,0,1,0,0|2,0,0]=4 9704 B13R1.718 COC(=O)COCC1CCCCO1 34a_100000211370_100000747449 [1,0,0,1,0,0|2,0,0]=4 9705 B13R1.718 COC(=O)COCC1CCCCO1 7a_100000211370_100000747449 [1,0,0,1,0,0|2,0,0]=4 9706 B13R1.718 COC(=O)CSCC1CCCCC1 62a_100000211423_100000747449 [1,0,0,1,0,0|1,0,1]=4 9707 B13R1.718 COC(=O)CSCC1CCCCC1 62a_100000747449_100000211423 [1,0,0,1,0,0|1,0,1]=4 9708 B13R1.718 COC(=O)CSCC1CCCCO1 62a_100000211543_100000747449 [1,0,0,1,0,0|2,0,0]=4 9709 B13R1.718 COC(=O)CSCC1CCCCO1 62a_100000747449_100000211543 [1,0,0,1,0,0|2,0,0]=4 9710 B13R1.718 COC(=O)OCSC1C=CCCC1 62a_100000751183_100000139417 [1,0,0,1,0,0|2,0,0]=4 9711 B13R1.1711 COC(=O)CCN1CCCCCC1 2230a_100000185865_100000204255 [1,0,0,1,0,0|1,0,1]=4 9712 B13R1.1711 COC(=O)CCN1CCCCCC1 269982a_100000185865_100000204255 [1,0,0,1,0,0|1,0,1]=4 9713 B13R1.1711 COC(=O)CCN1CCCCCC1 34a_100000185865_100000742370 [1,0,0,1,0,0|1,0,1]=4 9714 B13R1.1711 COC(=O)CNC1CCCCCC1 2230a_100000210984_100000747449 [1,0,0,1,0,0|1,0,1]=4 9715 B13R1.1711 COC(=O)CNC1CCCCCC1 34a_100000210984_100000747449 [1,0,0,1,0,0|1,0,1]=4 9716 B13R1.1711 COC(=O)COC1CCCCCC1 34a_100000210887_100000747449 [1,0,0,1,0,0|1,0,1]=4 9717 B13R1.1711 COC(=O)COC1CCCCCC1 7a_100000210887_100000747449 [1,0,0,1,0,0|1,0,1]=4 9718 B13R1.1711 COC(=O)CSC1CCCCCC1 62a_100000747449_100011217769 [1,0,0,1,0,0|1,0,1]=4 9719 B13R1.1711 COC(=O)CSC1CCCCCC1 62a_100011217769_100000747449 [1,0,0,1,0,0|1,0,1]=4 9720 B13R1.1870 COC(=O)CN1CCCCCCC1 2230a_100000211400_100000747449 [1,0,0,1,0,0|1,0,1]=4 9721 B13R1.1870 COC(=O)CN1CCCCCCC1 269982a_100000211400_100000747449 [1,0,0,1,0,0|1,0,1]=4 9722 B13R1.1870 COC(=O)CN1CCCCCCC1 34a_100000211400_100000747449 [1,0,0,1,0,0|1,0,1]=4 9723 B13R1.1885 C=CCCCCN1CC1C(=O)OC 2230a_200009830135_100011215482 [1,0,0,1,0,0|1,0,0]=3 9724 B13R1.1885 CCCCCCN1CC1C(=O)OC 2230a_200009830135_100000210314 [1,0,0,1,0,0|1,0,1]=4 9725 B13R1.1885 COC(=O)C1CN1CCCCC=O 2230a_200009830135_100000139335 [1,0,0,1,0,0|2,0,0]=4 9726 B13R1.1885 COC(=O)C1CN1CCCCCF 2230a_200009830135_100000729378 [1,0,0,1,0,0|2,0,0]=4 9727 B13R1.1885 COC(=O)C1CN1CCCCCO 2230a_200009830135_100000746330 [1,0,0,1,0,0|2,0,0]=4 9728 B13R1.2855 C=CCCCN1CC[C@H]1C(=O)OC 2230a_102516456887_100011713584 [1,0,0,1,0,0|1,0,0]=3 9729 B13R1.2855 C=CCCCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000757094 [1,0,0,1,0,0|1,0,0]=3 9730 B13R1.2855 C=COCCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000039644 [1,0,0,1,0,0|2,0,0]=4 9731 B13R1.2855 C=COCCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000039644 [1,0,0,1,0,0|2,0,0]=4 9732 B13R1.2855 CCCCCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000210326 [1,0,0,1,0,0|1,0,1]=4 9733 B13R1.2855 CCCCCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000210215 [1,0,0,1,0,0|1,0,1]=4 9734 B13R1.2855 COC(=O)[C@@H]1CCN1CCCC=O 2230a_102516456887_200011292268 [1,0,0,1,0,0|2,0,0]=4 9735 B13R1.2855 COC(=O)[C@@H]1CCN1CCCC=O 269982a_102516456887_200011292268 [1,0,0,1,0,0|2,0,0]=4 9736 B13R1.2855 COC(=O)[C@@H]1CCN1CCCCF 2230a_102516456887_100000729493 [1,0,0,1,0,0|2,0,0]=4 9737 B13R1.2855 COC(=O)[C@@H]1CCN1CCCCF 269982a_102516456887_100000729493 [1,0,0,1,0,0|2,0,0]=4 9738 B13R1.2855 COC(=O)[C@@H]1CCN1CCCCO 2230a_102516456887_100000210776 [1,0,0,1,0,0|2,0,0]=4 9739 B13R1.2855 COC(=O)[C@@H]1CCN1CCCCO 269982a_102516456887_100000210776 [1,0,0,1,0,0|2,0,0]=4 9740 B15R1.30 C=CCCCCC(=O)C1CCC(=O)NC1 1458a_100000740907_100011215482 [0,1,0,1,0,0|1,0,1]=4 9741 B15R1.82 C=CCCCCC(=O)CC1COC(=O)O1 1458a_100011215552_100000073702 [0,1,0,1,0,0|1,0,1]=4 9742 B15R1.82 C=CCCCCC(=O)C[C@H]1COC(=O)N1 1458a_100011215552_100015307671 [0,1,0,1,0,0|1,0,1]=4 9743 B15R1.82 C=CCCCCN(C)CC1COC(=O)O1 269982a_100012000471_100000073702 [0,1,0,1,0,0|2,0,0]=4 9744 B15R1.82 C=CCCCCN(C)C[C@H]1COC(=O)N1 2230a_100012000471_100015307671 [0,1,0,1,0,0|2,0,0]=4 9745 B15R1.82 C=CCCCCN(C)C[C@H]1COC(=O)N1 269982a_100012000471_100015307671 [0,1,0,1,0,0|2,0,0]=4 9746 B15R1.226 C=CCCCCN1CCC(C1)C(=O)NC 2230a_100020588580_100011215482 [0,1,0,1,0,0|2,0,0]=4 9747 B15R1.226 C=CCCCCN1CCC(C1)C(=O)NC 269982a_100020588580_100011215482 [0,1,0,1,0,0|2,0,0]=4 9748 B15R1.226 C=CCCCCN1CCC(C1)C(=O)NC 34a_100020588580_100011215482 [0,1,0,1,0,0|2,0,0]=4 9749 B15R1.226 C=CCCCCN1CC[C@H](C1)C(=O)OC 2230a_100016989057_100011215482 [0,1,0,1,0,0|1,0,0]=3 9750 B15R1.226 C=CCCCCN1CC[C@H](C1)C(=O)OC 269982a_100016989057_100011215482 [0,1,0,1,0,0|1,0,0]=3 9751 B15R1.226 C=CCCCOC1CCC(C1)C(=O)OC 34a_100010257243_100000757094 [0,1,0,1,0,0|1,0,0]=3 9752 B15R1.226 C=CCCCOC1CCC(C1)C(=O)OC 7a_100010257243_100000757094 [0,1,0,1,0,0|1,0,0]=3 9753 B15R1.226 C=CCCNC[C@H]1CC[C@H](C1)C(=O)OC 2230a_100015191253_200159312670 [0,1,0,1,0,0|1,0,0]=3 9754 B15R1.226 C=CCCOC[C@H]1CC[C@H](C1)C(=O)OC 34a_100011205117_200159312670 [0,1,0,1,0,0|1,0,0]=3 9755 B15R1.226 C=CCCOC[C@H]1CC[C@H](C1)C(=O)OC 34a_100015302752_100000754431 [0,1,0,1,0,0|1,0,0]=3 9756 B15R1.226 C=CCCOC[C@H]1CC[C@H](C1)C(=O)OC 7a_100015302752_100000754431 [0,1,0,1,0,0|1,0,0]=3 9757 B15R1.226 C=CCCSC[C@H]1CC[C@H](C1)C(=O)OC 62a_100000754431_200159312670 [0,1,0,1,0,0|1,0,0]=3 9758 B15R1.226 C=CCCSC[C@H]1CC[C@H](C1)C(=O)OC 62a_200159312670_100000754431 [0,1,0,1,0,0|1,0,0]=3 9759 B15R1.226 C=COCCOC1CCC(C1)C(=O)OC 34a_100010257243_100000039644 [0,1,0,1,0,0|2,0,0]=4 9760 B15R1.226 C=COCCOC1CCC(C1)C(=O)OC 7a_100010257243_100000039644 [0,1,0,1,0,0|2,0,0]=4 9761 B15R1.226 COC(=O)C1CCC(C1)OCCCC=O 7a_100010257243_200011292268 [0,1,0,1,0,0|2,0,0]=4 9762 B15R1.226 COC(=O)[C@@H]1CCN(C1)CCCCC=O 2230a_100016989057_100000139335 [0,1,0,1,0,0|2,0,0]=4 9763 B15R1.226 COC(=O)[C@@H]1CCN(C1)CCCCC=O 269982a_100016989057_100000139335 [0,1,0,1,0,0|2,0,0]=4 9764 B15R1.959 COC(=O)CCCC(=O)C1C=CCCC1 1458a_100000239890_100000751183 [0,1,0,1,0,0|0,0,1]=3 9765 B15R1.959 COC(=O)CCCN(C)C1C=CCCC1 269982a_100000739225_100000751183 [0,1,0,1,0,0|1,0,0]=3 9766 B15R1.959 COC(=O)CSCC(=O)C1C=CCCC1 1458a_100000191316_100000751183 [0,1,0,1,0,0|1,0,1]=4 9767 B15R1.1107 CNC(=O)CCCC(=O)CC1C=CCC1 1458a_100000212241_100000741757 [0,1,0,1,0,0|1,0,1]=4 9768 B15R1.1107 CNC(=O)CCNC(C)CC1C=CCC1 270004a_100000738227_100000116859 [0,1,0,1,0,0|2,0,0]=4 9769 B15R1.1107 COC(=O)CCCC(=O)CC1C=CCC1 1458a_100000212241_100011218270 [0,1,0,1,0,0|0,0,1]=3 9770 B15R1.1107 COC(=O)CCNC(=O)CC1C=CCC1 188690a_100000683876_100000212241 [0,1,0,1,0,0|1,0,1]=4 9771 B15R1.3967 C=CCCCCC(=O)CCC1CCC1=O 1458a_100011215552_200016118888 [0,1,0,1,0,0|1,0,1]=4 9772 B15R1.3967 C=CCCCCN(C)CCC1CCC1=O 2230a_100012000471_200016118888 [0,1,0,1,0,0|2,0,0]=4 9773 B15R1.3967 C=CCCCCN(C)CCC1CCC1=O 269982a_100012000471_200016118888 [0,1,0,1,0,0|2,0,0]=4 9774 B15R1.5563 C=CCCCCN1CC(C1)CC(=O)OC 269982a_100016993681_100011215482 [0,1,0,1,0,0|1,0,0]=3 9775 B15R1.5563 COC(=O)CC1CN(C1)CCCCC=O 269982a_100016993681_100000139335 [0,1,0,1,0,0|2,0,0]=4 9776 B15R1.7391 C=CCN1CCC(C1)COCC(=O)OC 34a_100011652569_100000747449 [0,1,0,1,0,0|2,0,0]=4 9777 B15R1.11550 COC(=O)CCCC(=O)C1CCCC1=O 1458a_100000239890_100000211823 [0,1,0,1,0,0|1,0,1]=4 9778 B15R1.11550 COC(=O)CCCN(C)C1CCCC1=O 269982a_100000739225_100000211823 [0,1,0,1,0,0|2,0,0]=4 9779 B15R1.12436 CNC(=O)CCOC1C=CCCCCC1 34a_100000688657_100012179268 [0,1,0,1,0,0|1,0,0]=3 9780 B15R1.12436 COC(=O)CCCN1CCCCCCC1 2230a_100000211400_100011218270 [0,1,0,1,0,0|0,0,2]=4 9781 B15R1.12436 COC(=O)CCCN1CCCCCCC1 269982a_100000211400_100011218270 [0,1,0,1,0,0|0,0,2]=4 9782 B15R1.12436 COC(=O)CCCN1CCCCCCC1 34a_100000211400_100000742333 [0,1,0,1,0,0|0,0,2]=4 9783 B15R1.12436 COC(=O)CCNC1CCCCCCC1 2230a_100000211152_100000204255 [0,1,0,1,0,0|0,0,2]=4 9784 B15R1.12436 COC(=O)CCNC1CCCCCCC1 34a_100000211152_100000742370 [0,1,0,1,0,0|0,0,2]=4 9785 B15R1.12436 COC(=O)CCOC1C=CCCCCC1 34a_100000688657_100000742370 [0,1,0,1,0,0|0,0,0]=2 9786 B15R1.12436 COC(=O)CCOC1CCCCCCC1 34a_100000210054_100000742370 [0,1,0,1,0,0|0,0,2]=4 9787 B15R1.12436 COC(=O)CCOC1CCCCCCC1 7a_100000210054_100000204255 [0,1,0,1,0,0|0,0,2]=4 9788 B15R1.12436 COC(=O)COCC1CCCCCCC1 34a_100011216312_100000747449 [0,1,0,1,0,0|0,0,2]=4 9789 B15R1.12436 COC(=O)COCC1CCCCCCC1 7a_100011216312_100000747449 [0,1,0,1,0,0|0,0,2]=4 9790 B15R1.16999 C=CCCCCC(=O)C1CC1C(=O)OC 1458a_100000750770_100011215482 [0,1,0,1,0,0|0,0,1]=3 9791 B15R1.16999 C=CCCCCC(=O)N1CC1C(=O)OC 240690a_200009830135_100011215552 [0,1,0,1,0,0|1,0,1]=4 9792 B15R1.16999 C=CCCCNC(=O)C1CC1C(=O)OC 11a_100000700776_100000750770 [0,1,0,1,0,0|1,0,1]=4 9793 B15R1.16999 C=CCCCNC(=O)C1CC1C(=O)OC 240690a_100000700776_100000750770 [0,1,0,1,0,0|1,0,1]=4 9794 B15R1.17015 C=CCCCCC(=O)[C@H]1CCC(=O)N1C 1458a_100010979499_100011215482 [0,1,0,1,0,0|1,0,1]=4 9795 B15R1.569 C=CCN1CCCC(C1)CCC(=O)NC 2230a_100015187509_100000210623 [0,1,0,1,0,0|2,0,0]=4 9796 B15R1.569 C=CCN1CCCC(C1)CCC(=O)NC 269982a_100015187509_100000210623 [0,1,0,1,0,0|2,0,0]=4 9797 B15R1.569 C=CCN1CCCC(C1)CCC(=O)NC 34a_100015187509_100015514636 [0,1,0,1,0,0|2,0,0]=4 9798 B15R1.569 C=CCN1CCCC(C1)CCC(=O)OC 2230a_100015184279_100000210623 [0,1,0,1,0,0|1,0,0]=3 9799 B15R1.569 C=CCN1CCCC(C1)CCC(=O)OC 269982a_100015184279_100000210623 [0,1,0,1,0,0|1,0,0]=3 9800 B15R1.569 C=CCN1CCCC(C1)CCC(=O)OC 34a_100015184279_100015514636 [0,1,0,1,0,0|1,0,0]=3 9801 B15R1.569 COC(=O)CCC1CCCN(C1)CC=O 2230a_100015184279_200015260668 [0,1,0,1,0,0|2,0,0]=4 9802 B15R1.569 COC(=O)CCC1CCCN(C1)CC=O 269982a_100015184279_200015260668 [0,1,0,1,0,0|2,0,0]=4 9803 B15R1.569 COC(=O)CCC1CCCN(C1)CC=O 34a_100015184279_200009817547 [0,1,0,1,0,0|2,0,0]=4 9804 B15R1.812 C=CCC(=O)C1CCCCN1C(=O)OC 1458a_100000236124_100000210623 [0,1,0,1,0,0|1,0,1]=4 9805 B15R1.812 C=CCC(=O)N1CCCCC1C(=O)OC 11a_100000734855_100000210193 [0,1,0,1,0,0|1,0,1]=4 9806 B15R1.812 C=CCC(=O)N1CCCCC1C(=O)OC 1626a_100000734855_100000210193 [0,1,0,1,0,0|1,0,1]=4 9807 B15R1.812 C=CCC(=O)N1CCCCC1C(=O)OC 240690a_100000734855_100000210193 [0,1,0,1,0,0|1,0,1]=4 9808 B15R1.812 C=CCC(=O)N1CCCCC1C(=O)OC 527a_100000734855_100000210193 [0,1,0,1,0,0|1,0,1]=4 9809 B15R1.812 C=CCC(=O)[C@@H]1CCCC[C@@H]1C(=O)OC 1458a_100009817520_100000210623 [0,1,0,1,0,0|0,0,1]=3 9810 B15R1.821 C=CCC(=O)N1CCC[C@@H]1CC(=O)OC 11a_100025726698_100000210193 [0,1,0,1,0,0|1,0,1]=4 9811 B15R1.821 C=CCC(=O)N1CCC[C@@H]1CC(=O)OC 1626a_100025726698_100000210193 [0,1,0,1,0,0|1,0,1]=4 9812 B15R1.821 C=CCC(=O)N1CCC[C@@H]1CC(=O)OC 240690a_100025726698_100000210193 [0,1,0,1,0,0|1,0,1]=4 9813 B15R1.821 C=CCC(=O)N1CCC[C@@H]1CC(=O)OC 527a_100025726698_100000210193 [0,1,0,1,0,0|1,0,1]=4 9814 B15R1.942 CNC(=O)CCCOC1C=C(CCC1)C 34a_100011218613_100000741757 [0,1,0,1,0,0|2,0,0]=4 9815 B15R1.942 COC(=O)CCCOC1C=C(CCC1)C 34a_100011218613_100000742333 [0,1,0,1,0,0|1,0,0]=3 9816 B15R1.942 COC(=O)CCCOC1CCCC(=O)C1 34a_100012613340_100000742333 [0,1,0,1,0,0|1,0,1]=4 9817 B15R1.942 COC(=O)CCOCC1CCCC(=O)N1 34a_200000102386_100000742370 [0,1,0,1,0,0|2,0,0]=4 9818 B15R1.975 COC(=O)CCCCCCN1CC=CC1 269982a_100015195280_100009815986 [0,1,0,1,0,0|1,0,0]=3 9819 B15R1.975 COC(=O)CCCCCCN1CCCC1 2230a_100000188435_100009815986 [0,1,0,1,0,0|0,0,2]=4 9820 B15R1.975 COC(=O)CCCCCCN1CCCC1 269982a_100000188435_100009815986 [0,1,0,1,0,0|0,0,2]=4 9821 B15R1.975 COC(=O)CCCCCCN1CCSC1 2230a_100011215254_100009815986 [0,1,0,1,0,0|1,0,1]=4 9822 B15R1.975 COC(=O)CCCCCCN1CCSC1 269982a_100011215254_100009815986 [0,1,0,1,0,0|1,0,1]=4 9823 B15R1.975 COC(=O)CCCCCNC1CC=CC1 2230a_100015188752_100009816466 [0,1,0,1,0,0|1,0,0]=3 9824 B15R1.975 COC(=O)CCCCCNC1CCCC1 2230a_100000211070_100009816466 [0,1,0,1,0,0|0,0,2]=4 9825 B15R1.975 COC(=O)CCCCCNC1CCCC1 34a_100000211070_100009816466 [0,1,0,1,0,0|0,0,2]=4 9826 B15R1.975 COC(=O)CCCCCN[C@@H]1CCOC1 2230a_200015188469_100009816466 [0,1,0,1,0,0|1,0,1]=4 9827 B15R1.975 COC(=O)CCCCCN[C@H]1CCOC1 2230a_100015188467_100009816466 [0,1,0,1,0,0|1,0,1]=4 9828 B15R1.975 COC(=O)CCCCCN[C@H]1CCOC1 34a_100015188467_100009816466 [0,1,0,1,0,0|1,0,1]=4 9829 B15R1.975 COC(=O)CCCCCOC1CCCC1 34a_100000074720_100000179811 [0,1,0,1,0,0|0,0,2]=4 9830 B15R1.975 COC(=O)CCCCCOC1CCCC1 34a_100000210269_100009816466 [0,1,0,1,0,0|0,0,2]=4 9831 B15R1.975 COC(=O)CCCCCOC1CCCC1 7a_100000074720_100000179811 [0,1,0,1,0,0|0,0,2]=4 9832 B15R1.975 COC(=O)CCCCCOC1CCCC1 7a_100000210269_100009816466 [0,1,0,1,0,0|0,0,2]=4 9833 B15R1.975 COC(=O)CCCCCOC1CCCO1 34a_100000085407_100009816466 [0,1,0,1,0,0|1,0,1]=4 9834 B15R1.975 COC(=O)CCCCCOC1CCOC1 34a_100000074720_100000690089 [0,1,0,1,0,0|1,0,1]=4 9835 B15R1.975 COC(=O)CCCCCOC1CCOC1 7a_100000074720_100000731011 [0,1,0,1,0,0|1,0,1]=4 9836 B15R1.975 COC(=O)CCCCCOC1CCSC1 7a_100011232664_100009816466 [0,1,0,1,0,0|1,0,1]=4 9837 B15R1.975 COC(=O)CCCCCO[C@H]1CCOC1 34a_100000717292_100009816466 [0,1,0,1,0,0|1,0,1]=4 9838 B15R1.975 COC(=O)CCCCCSC1CCCC1 62a_100009816466_100000179811 [0,1,0,1,0,0|0,0,2]=4 9839 B15R1.975 COC(=O)CCCCCSC1CCCC1 62a_100011217020_100009816466 [0,1,0,1,0,0|0,0,2]=4 9840 B15R1.975 COC(=O)CCCCCSC1CCOC1 62a_100009816466_100000690089 [0,1,0,1,0,0|1,0,1]=4 9841 B15R1.975 COC(=O)CCCCNCC1CCCC1 2230a_100000737975_100000204269 [0,1,0,1,0,0|0,0,2]=4 9842 B15R1.975 COC(=O)CCCCNCC1CCCC1 34a_100000737975_100000204269 [0,1,0,1,0,0|0,0,2]=4 9843 B15R1.975 COC(=O)CCCCNCC1CCOC1 2230a_100000737293_100000204269 [0,1,0,1,0,0|1,0,1]=4 9844 B15R1.975 COC(=O)CCCCNCC1CCOC1 34a_100000737293_100000204269 [0,1,0,1,0,0|1,0,1]=4 9845 B15R1.975 COC(=O)CCCCNC[C@@H]1CCCO1 2230a_100020590478_100000204269 [0,1,0,1,0,0|1,0,1]=4 9846 B15R1.975 COC(=O)CCCCNC[C@@H]1CCCO1 34a_100020590478_100000204269 [0,1,0,1,0,0|1,0,1]=4 9847 B15R1.975 COC(=O)CCCCOCC1CC=CC1 34a_100000688395_100000204269 [0,1,0,1,0,0|1,0,0]=3 9848 B15R1.975 COC(=O)CCCCOCC1CCCC1 34a_100000059025_100000740388 [0,1,0,1,0,0|0,0,2]=4 9849 B15R1.975 COC(=O)CCCCOCC1CCCC1 34a_100000742336_100000204269 [0,1,0,1,0,0|0,0,2]=4 9850 B15R1.975 COC(=O)CCCCOCC1CCCC1 7a_100000059025_100000740388 [0,1,0,1,0,0|0,0,2]=4 9851 B15R1.975 COC(=O)CCCCOCC1CCCC1 7a_100000742336_100000204269 [0,1,0,1,0,0|0,0,2]=4 9852 B15R1.975 COC(=O)CCCCOCC1CCCO1 34a_100000210270_100000204269 [0,1,0,1,0,0|1,0,1]=4 9853 B15R1.975 COC(=O)CCCCOCC1CCCO1 7a_100000059025_100000203698 [0,1,0,1,0,0|1,0,1]=4 9854 B15R1.975 COC(=O)CCCCOCC1CCCO1 7a_100000210270_100000204269 [0,1,0,1,0,0|1,0,1]=4 9855 B15R1.975 COC(=O)CCCCOCC1CCNC1 34a_100000748654_100000204269 [0,1,0,1,0,0|1,0,1]=4 9856 B15R1.975 COC(=O)CCCCOCC1CCOC1 34a_100000059025_100011261433 [0,1,0,1,0,0|1,0,1]=4 9857 B15R1.975 COC(=O)CCCCOCC1CCOC1 34a_100000740260_100000204269 [0,1,0,1,0,0|1,0,1]=4 9858 B15R1.975 COC(=O)CCCCOCC1CCOC1 7a_100000059025_100000702531 [0,1,0,1,0,0|1,0,1]=4 9859 B15R1.975 COC(=O)CCCCOC[C@H]1CCCN1 34a_100000745186_100000204269 [0,1,0,1,0,0|1,0,1]=4 9860 B15R1.975 COC(=O)CCCCSCC1CCCC1 62a_100000204269_100000740388 [0,1,0,1,0,0|0,0,2]=4 9861 B15R1.975 COC(=O)CCCCSCC1CCCC1 62a_100000740388_100000204269 [0,1,0,1,0,0|0,0,2]=4 9862 B15R1.975 COC(=O)CCCCSCC1CCCO1 62a_100000203698_100000204269 [0,1,0,1,0,0|1,0,1]=4 9863 B15R1.975 COC(=O)CCCCSCC1CCCO1 62a_100000204269_100000203698 [0,1,0,1,0,0|1,0,1]=4 9864 B15R1.975 COC(=O)CCCCSCC1CCOC1 62a_100000204269_100000702531 [0,1,0,1,0,0|1,0,1]=4 9865 B15R1.975 COC(=O)CCCCSCC1CCOC1 62a_100000702531_100000204269 [0,1,0,1,0,0|1,0,1]=4 9866 B15R1.975 COC(=O)CCCNCCC1CCCC1 2230a_100000739158_100011218270 [0,1,0,1,0,0|0,0,2]=4 9867 B15R1.975 COC(=O)CCCNCCC1CCCC1 34a_100000739158_100000742333 [0,1,0,1,0,0|0,0,2]=4 9868 B15R1.975 COC(=O)CCCOCCC1CCCC1 34a_100000749090_100000742333 [0,1,0,1,0,0|0,0,2]=4 9869 B15R1.975 COC(=O)CCCOCCC1CCCC1 7a_100000749090_100011218270 [0,1,0,1,0,0|0,0,2]=4 9870 B15R1.975 COC(=O)CCCOCCC1CCNC1 34a_100016987287_100000742333 [0,1,0,1,0,0|1,0,1]=4 9871 B15R1.975 COC(=O)CCCOCCC1CCOC1 34a_100011879284_100000742333 [0,1,0,1,0,0|1,0,1]=4 9872 B15R1.975 COC(=O)CCCSCCC1CCCC1 62a_100000760354_100011218270 [0,1,0,1,0,0|0,0,2]=4 9873 B15R1.975 COC(=O)CCCSCCC1CCCC1 62a_100011218270_100000760354 [0,1,0,1,0,0|0,0,2]=4 9874 B15R1.975 COC(=O)CCNCCCC1CCCC1 2230a_100000736752_100000204255 [0,1,0,1,0,0|0,0,2]=4 9875 B15R1.975 COC(=O)CCNCCCC1CCCC1 34a_100000736752_100000742370 [0,1,0,1,0,0|0,0,2]=4 9876 B15R1.975 COC(=O)CCOCCCC1CCCC1 34a_100011215328_100000742370 [0,1,0,1,0,0|0,0,2]=4 9877 B15R1.975 COC(=O)CCOCCCC1CCCC1 7a_100011215328_100000204255 [0,1,0,1,0,0|0,0,2]=4 9878 B15R1.975 COC(=O)CCSCCCC1CCCC1 62a_100000204255_100011713738 [0,1,0,1,0,0|0,0,2]=4 9879 B15R1.975 COC(=O)CCSCCCC1CCCC1 62a_100011713738_100000204255 [0,1,0,1,0,0|0,0,2]=4 9880 B15R1.975 COC(=O)COCCOCC1CC=CC1 34a_100000688395_100000090808 [0,1,0,1,0,0|2,0,0]=4 9881 B15R1.1095 C=C1CC(C1)CNCCCCC(=O)OC 2230a_100102567296_100000204269 [0,1,0,1,0,0|1,0,0]=3 9882 B15R1.1095 C=C1CC(C1)CNCCCCC(=O)OC 34a_100102567296_100000204269 [0,1,0,1,0,0|1,0,0]=3 9883 B15R1.1095 C=C1CC(C1)CNCCOCC(=O)OC 2230a_100102567296_100000090808 [0,1,0,1,0,0|2,0,0]=4 9884 B15R1.1095 C=C1CC(C1)CNCCOCC(=O)OC 34a_100102567296_100000090808 [0,1,0,1,0,0|2,0,0]=4 9885 B15R1.1095 C=C1CC(C1)COCCCCC(=O)OC 34a_100011011225_100000204269 [0,1,0,1,0,0|1,0,0]=3 9886 B15R1.1095 C=C1CC(C1)COCCOCC(=O)OC 34a_100011011225_100000090808 [0,1,0,1,0,0|2,0,0]=4 9887 B15R1.1095 C=C1CC(C1)NCCCCCC(=O)OC 2230a_100132301982_100009816466 [0,1,0,1,0,0|1,0,0]=3 9888 B15R1.1095 COC(=O)CCCCCSC1CC(=O)C1 62a_100009894365_100009816466 [0,1,0,1,0,0|1,0,1]=4 9889 B15R1.1095 COC(=O)CCCCOCC1CC(=O)C1 34a_100000101936_100000204269 [0,1,0,1,0,0|1,0,1]=4 9890 B15R1.1095 COC(=O)CCCCOCC1CC(=O)C1 7a_100000059025_100009874392 [0,1,0,1,0,0|1,0,1]=4 9891 B15R1.1095 COC(=O)CCCCSCC1CC(=O)C1 62a_100000204269_100009874392 [0,1,0,1,0,0|1,0,1]=4 9892 B15R1.1095 COC(=O)CCCCSCC1CC(=O)C1 62a_100009874392_100000204269 [0,1,0,1,0,0|1,0,1]=4 9893 B15R1.3174 COC(=O)CCCCCN1CCC[C@@H]1C 2230a_100020605311_100009816466 [0,1,0,1,0,0|0,0,2]=4 9894 B15R1.3174 COC(=O)CCCCCN1CCC[C@@H]1C 269982a_100020605311_100009816466 [0,1,0,1,0,0|0,0,2]=4 9895 B15R1.3174 COC(=O)CCCCCN1CCC[C@H]1C 2230a_100015189458_100009816466 [0,1,0,1,0,0|0,0,2]=4 9896 B15R1.3174 COC(=O)CCCCCN1CCC[C@H]1C 269982a_100015189458_100009816466 [0,1,0,1,0,0|0,0,2]=4 9897 B15R1.3174 COC(=O)CCCCCN1CCC[C@H]1C 34a_100015189458_100009816466 [0,1,0,1,0,0|0,0,2]=4 9898 B15R1.3174 COC(=O)CCCCNC1CCNC1=O 2230a_100016995588_100000204269 [0,1,0,1,0,0|2,0,0]=4 9899 B15R1.3174 COC(=O)CCCCNC1CCNC1=O 34a_100016995588_100000204269 [0,1,0,1,0,0|2,0,0]=4 9900 B15R1.3174 COC(=O)CCCCOC1CCCC1=O 34a_100000059025_100000709159 [0,1,0,1,0,0|1,0,0]=3 9901 B15R1.3174 COC(=O)CCCCOC1CCCC1=O 34a_200000719330_100000204269 [0,1,0,1,0,0|1,0,0]=3 9902 B15R1.3174 COC(=O)CCCCOC1CCCC1=O 7a_100000059025_100000211823 [0,1,0,1,0,0|1,0,0]=3 9903 B15R1.3174 COC(=O)CCCCOC1CCCC1C 34a_100011216460_100000204269 [0,1,0,1,0,0|0,0,2]=4 9904 B15R1.3174 COC(=O)CCCCOC1CCCC1C 7a_100011216460_100000204269 [0,1,0,1,0,0|0,0,2]=4 9905 B15R1.3174 COC(=O)CCCCOC1CCOC1=O 34a_100000059025_100000211211 [0,1,0,1,0,0|2,0,0]=4 9906 B15R1.3174 COC(=O)CCCCOC1CCOC1=O 7a_100000059025_100000211211 [0,1,0,1,0,0|2,0,0]=4 9907 B15R1.3174 COC(=O)CCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000204269 [0,1,0,1,0,0|1,0,1]=4 9908 B15R1.3174 COC(=O)CCCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000204269 [0,1,0,1,0,0|1,0,1]=4 9909 B15R1.3174 COC(=O)CCCCO[C@H]1CCNC1=O 34a_100000688343_100000204269 [0,1,0,1,0,0|2,0,0]=4 9910 B15R1.3174 COC(=O)CCCCSC1CCCC1=O 62a_100000204269_100000211823 [0,1,0,1,0,0|1,0,0]=3 9911 B15R1.3174 COC(=O)CCCCSC1CCCC1=O 62a_100000211823_100000204269 [0,1,0,1,0,0|1,0,0]=3 9912 B15R1.3174 COC(=O)CCCCSC1CCOC1=O 62a_100000204269_100000211211 [0,1,0,1,0,0|2,0,0]=4 9913 B15R1.3174 COC(=O)CCCCSC1CCOC1=O 62a_100000211211_100000204269 [0,1,0,1,0,0|2,0,0]=4 9914 B15R1.3174 COC(=O)CCCCS[C@@H]1CCC[C@H]1O 62a_100000204269_200016002552 [0,1,0,1,0,0|1,0,1]=4 9915 B15R1.3174 COC(=O)CCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000204269 [0,1,0,1,0,0|1,0,1]=4 9916 B15R1.3174 COC(=O)CCCOCC1CCCN1C 34a_100000743107_100000742333 [0,1,0,1,0,0|1,0,1]=4 9917 B15R1.3174 COC(=O)CCCOCC1CCNC1=O 34a_100000133458_100000742333 [0,1,0,1,0,0|2,0,0]=4 9918 B15R1.3174 COC(=O)CCCSCN1CCCC1=O 62a_100000026320_100011218270 [0,1,0,1,0,0|2,0,0]=4 9919 B15R1.3174 COC(=O)CCCSCN1CCCC1=O 62a_100011218270_100000026320 [0,1,0,1,0,0|2,0,0]=4 9920 B15R1.3174 COC(=O)CCNCCN1CCCC1=O 2230a_100011200922_100000204255 [0,1,0,1,0,0|2,0,0]=4 9921 B15R1.3174 COC(=O)CCOCCC1CCCN1C 34a_100011215177_100000742370 [0,1,0,1,0,0|1,0,1]=4 9922 B15R1.3174 COC(=O)CCOCCC1CCCN1C 7a_100011215177_100000204255 [0,1,0,1,0,0|1,0,1]=4 9923 B15R1.3174 COC(=O)CCOCCN1CCCC1=O 34a_100000211209_100000742370 [0,1,0,1,0,0|2,0,0]=4 9924 B15R1.3174 COC(=O)CCOCCN1CCCC1=O 7a_100000211209_100000204255 [0,1,0,1,0,0|2,0,0]=4 9925 B15R1.3174 COC(=O)CCSCCC1CCCN1C 62a_100000005710_100000204255 [0,1,0,1,0,0|1,0,1]=4 9926 B15R1.3174 COC(=O)CCSCCC1CCCN1C 62a_100000204255_100000005710 [0,1,0,1,0,0|1,0,1]=4 9927 B15R1.3174 COC(=O)CCSCCN1CCCC1=O 62a_100000204255_100000739059 [0,1,0,1,0,0|2,0,0]=4 9928 B15R1.3174 COC(=O)CCSCCN1CCCC1=O 62a_100000739059_100000204255 [0,1,0,1,0,0|2,0,0]=4 9929 B15R1.3174 COC(=O)CNCCCN1CCCC1=O 2230a_100000210347_100000747449 [0,1,0,1,0,0|2,0,0]=4 9930 B15R1.3174 COC(=O)CNCCCN1CCCC1=O 34a_100000210347_100000747449 [0,1,0,1,0,0|2,0,0]=4 9931 B15R1.3174 COC(=O)COCCCN1CCCC1=O 34a_100011216539_100000747449 [0,1,0,1,0,0|2,0,0]=4 9932 B15R1.3174 COC(=O)COCCCN1CCCC1=O 7a_100011216539_100000747449 [0,1,0,1,0,0|2,0,0]=4 9933 B15R1.3174 COC(=O)COCCOC1CCCC1=O 34a_200000719330_100000090808 [0,1,0,1,0,0|2,0,0]=4 9934 B15R1.3174 COC(=O)COCCSC1CCCC1=O 62a_100000090808_100000211823 [0,1,0,1,0,0|2,0,0]=4 9935 B15R1.3174 COC(=O)COCCSC1CCCC1=O 62a_100000211823_100000090808 [0,1,0,1,0,0|2,0,0]=4 9936 B15R1.3865 CCOC(=O)CCCCSC1CCC1=O 62a_100000750268_100009892977 [0,1,0,1,0,0|2,0,0]=4 9937 B15R1.3865 CCOC(=O)CCCCSC1CCC1=O 62a_100009892977_100000750268 [0,1,0,1,0,0|2,0,0]=4 9938 B15R1.3865 CCOC(=O)CCSCCC1CCC1=O 62a_100000765890_200016118888 [0,1,0,1,0,0|2,0,0]=4 9939 B15R1.3865 CCOC(=O)CCSCCC1CCC1=O 62a_200016118888_100000765890 [0,1,0,1,0,0|2,0,0]=4 9940 B15R1.106 C=CCCCCCCN1CCNC(=O)C1 2230a_100000184651_100011215473 [0,1,0,1,0,0|2,0,0]=4 9941 B15R1.106 C=CCCCCCCN1CCOC(=O)C1 2230a_100000131268_100011215473 [0,1,0,1,0,0|1,0,0]=3 9942 B15R1.106 C=CCCCCCNC1CCNC(=O)C1 2230a_100016994916_100000700193 [0,1,0,1,0,0|2,0,0]=4 9943 B15R1.106 C=CCCCCCNC1CCNC(=O)C1 34a_100016994916_100000700193 [0,1,0,1,0,0|2,0,0]=4 9944 B15R1.106 C=CCCCCCOC1CCCC(=O)C1 34a_100012613340_100000700193 [0,1,0,1,0,0|2,0,0]=4 9945 B15R1.106 C=CCCCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000700193 [0,1,0,1,0,0|2,0,0]=4 9946 B15R1.106 C=CCCCCOCC1CCNC(=O)C1 34a_100009886756_100011215482 [0,1,0,1,0,0|2,0,0]=4 9947 B15R1.106 C=CCCCCOCC1COCC(=O)N1 34a_200000101122_100011215482 [0,1,0,1,0,0|2,0,0]=4 9948 B15R1.741 COC(=O)CC(=O)CSC1C=CCCC1 62a_100000210525_100000751183 [0,1,0,1,0,0|1,0,1]=4 9949 B15R1.741 COC(=O)CC(=O)CSC1C=CCCC1 62a_100000751183_100000210525 [0,1,0,1,0,0|1,0,1]=4 9950 B15R1.741 COC(=O)C[C@@H](O)COC1C=CCCC1 34a_100011215024_100000754131 [0,1,0,1,0,0|1,0,0]=3 9951 B15R1.741 COC(=O)C[C@@H](O)CSC1C=CCCC1 62a_100000751183_100000754131 [0,1,0,1,0,0|1,0,0]=3 9952 B15R1.741 COC(=O)C[C@@H](O)CSC1C=CCCC1 62a_100000754131_100000751183 [0,1,0,1,0,0|1,0,0]=3 9953 B15R1.742 COC(=O)C[C@@H](O)COC1CCCC1=O 34a_200000719330_100000754131 [0,1,0,1,0,0|2,0,0]=4 9954 B15R1.742 COC(=O)C[C@@H](O)CSC1CCCC1=O 62a_100000211823_100000754131 [0,1,0,1,0,0|2,0,0]=4 9955 B15R1.742 COC(=O)C[C@@H](O)CSC1CCCC1=O 62a_100000754131_100000211823 [0,1,0,1,0,0|2,0,0]=4 9956 B15R1.754 COC(=O)CC(C)SCCC1CCC1=O 62a_100009817358_200016118888 [0,1,0,1,0,0|2,0,0]=4 9957 B15R1.754 COC(=O)CC(C)SCCC1CCC1=O 62a_200016118888_100009817358 [0,1,0,1,0,0|2,0,0]=4 9958 B15R1.756 COC(=O)CC(=O)C1CCCCCC1=O 1458a_100000211351_100000243696 [0,1,0,1,0,0|1,0,1]=4 9959 B15R1.762 COC(=O)CC(C)OC1CCCCC1=O 34a_100011214950_100009817358 [0,1,0,1,0,0|2,0,0]=4 9960 B15R1.762 COC(=O)CC(C)SC1CCCCC1=O 62a_100000204591_100009817358 [0,1,0,1,0,0|2,0,0]=4 9961 B15R1.762 COC(=O)CC(C)SC1CCCCC1=O 62a_100009817358_100000204591 [0,1,0,1,0,0|2,0,0]=4 9962 B15R1.1038 C=CCCN1CCCC(C1)CC(=O)OC 2230a_100016989293_100000754431 [0,1,0,1,0,0|1,0,0]=3 9963 B15R1.1038 C=CCCN1CCCC(C1)CC(=O)OC 269982a_100016989293_100000754431 [0,1,0,1,0,0|1,0,0]=3 9964 B15R1.1038 C=CCCN1CCOC(C1)CC(=O)OC 2230a_100000684468_100000754431 [0,1,0,1,0,0|2,0,0]=4 9965 B15R1.1038 C=CCCN1CCOC(C1)CC(=O)OC 269982a_100000684468_100000754431 [0,1,0,1,0,0|2,0,0]=4 9966 B15R1.1038 C=CCOC1CCCC(C1)CC(=O)OC 7a_200010992784_100015514636 [0,1,0,1,0,0|1,0,0]=3 9967 B15R1.1038 COC(=O)CC1CCCC(C1)OCC=O 7a_200010992784_200015260668 [0,1,0,1,0,0|2,0,0]=4 9968 B15R1.1166 C=CCCCN1CC[C@@H](C1)CC(=O)OC 2230a_100020634416_100011713584 [0,1,0,1,0,0|1,0,0]=3 9969 B15R1.1166 C=CCCCN1CC[C@@H](C1)CC(=O)OC 269982a_100020634416_100000757094 [0,1,0,1,0,0|1,0,0]=3 9970 B15R1.1166 C=COCCN1CC[C@@H](C1)CC(=O)OC 2230a_100020634416_100000039644 [0,1,0,1,0,0|2,0,0]=4 9971 B15R1.1166 C=COCCN1CC[C@@H](C1)CC(=O)OC 269982a_100020634416_100000039644 [0,1,0,1,0,0|2,0,0]=4 9972 B15R1.1166 COC(=O)C[C@H]1CCN(C1)CCCC=O 2230a_100020634416_200011292268 [0,1,0,1,0,0|2,0,0]=4 9973 B15R1.1166 COC(=O)C[C@H]1CCN(C1)CCCC=O 269982a_100020634416_200011292268 [0,1,0,1,0,0|2,0,0]=4 9974 B15R1.4695 C=CCCCCCCC(=O)C1CCC1=O 1458a_100011809334_100009892977 [0,1,0,1,0,0|1,0,1]=4 9975 B15R1.5366 C=CCCCCCNC1CC(=O)N(C1)C 2230a_100000748898_100000700193 [0,1,0,1,0,0|2,0,0]=4 9976 B15R1.5366 C=CCCCCCNC1CC(=O)N(C1)C 34a_100000748898_100000700193 [0,1,0,1,0,0|2,0,0]=4 9977 B15R1.5366 C=CCCCCOCC1CC(=O)N(C1)C 34a_100015185614_100011215482 [0,1,0,1,0,0|2,0,0]=4 9978 B15R1.6326 C#CCCCCCCN1CC1C(=O)OC 2230a_200009830135_100012276617 [0,1,0,1,0,0|0,0,2]=4 9979 B15R1.6326 C=CCCCCCCN1CC1C(=O)OC 2230a_200009830135_100011215473 [0,1,0,1,0,0|0,0,0]=2 9980 B15R1.6326 CCCCCCCCN1CC1C(=O)OC 2230a_200009830135_100000210759 [0,1,0,1,0,0|0,0,2]=4 9981 B15R1.6326 COC(=O)C1CN1CCCCCCC#N 2230a_200009830135_100009813337 [0,1,0,1,0,0|1,0,1]=4 9982 B15R1.6326 COC(=O)C1CN1CCCCCCCO 2230a_200009830135_100000760002 [0,1,0,1,0,0|1,0,1]=4 9983 B15R1.6326 COCCCCCCN1CC1C(=O)OC 2230a_200009830135_100011998445 [0,1,0,1,0,0|1,0,1]=4 9984 B15R1.9281 C=CCCCCCCN1CC[C@H](C1)OC 2230a_100000766984_100011215473 [0,1,0,1,0,0|1,0,1]=4 9985 B15R1.9281 C=CCCCCCCN1CC[C@H](C1)OC 269982a_100000766984_100011215473 [0,1,0,1,0,0|1,0,1]=4 9986 B15R1.137 C=CCCCCCC(=O)C1CNC(=O)C1 1458a_100000747279_100000700193 [0,1,0,1,0,0|1,0,1]=4 9987 B15R1.1016 C=CCCN1CC[C@H](C1)OCC(=O)OC 2230a_100102564761_100000754431 [0,1,0,1,0,0|2,0,0]=4 9988 B15R1.1016 C=CCCN1CC[C@H](C1)OCC(=O)OC 269982a_100102564761_100000754431 [0,1,0,1,0,0|2,0,0]=4 9989 B15R1.1950 C=CCCCCCN1CCNC(=O)CC1 2230a_100000698595_100000700193 [0,1,0,1,0,0|2,0,0]=4 9990 B15R1.1950 C=CCCCCCN1CCNC(=O)CC1 269982a_100000698595_100000700193 [0,1,0,1,0,0|2,0,0]=4 9991 B15R1.1952 C=CCCCCCN1CC(C1)C(=O)NC 34a_100000703363_100000700193 [0,1,0,1,0,0|2,0,0]=4 9992 B15R1.1952 C=CCCCCCN1CC(C1)C(=O)OC 269982a_100015188540_100000700193 [0,1,0,1,0,0|1,0,0]=3 9993 B15R1.1952 C=CCCCCNC1CC(C1)C(=O)OC 34a_100000703577_100009897219 [0,1,0,1,0,0|1,0,0]=3 9994 B15R1.1952 C=CCCCCOC1CC(C1)C(=O)OC 34a_100000766645_100009897219 [0,1,0,1,0,0|1,0,0]=3 9995 B15R1.1952 C=CCCCCOC1CC(C1)C(=O)OC 7a_100000076263_100011215482 [0,1,0,1,0,0|1,0,0]=3 9996 B15R1.1952 C=CCCCCOC1CC(C1)C(=O)OC 7a_100000766645_100009897219 [0,1,0,1,0,0|1,0,0]=3 9997 B15R1.1952 C=CCCCCSC1CC(C1)C(=O)OC 62a_100009897219_100011215482 [0,1,0,1,0,0|1,0,0]=3 9998 B15R1.1952 C=CCCCCSC1CC(C1)C(=O)OC 62a_100011215482_100009897219 [0,1,0,1,0,0|1,0,0]=3 9999 B15R1.1952 C=CCCCOCC1CC(C1)C(=O)OC 34a_100009884387_100000757094 [0,1,0,1,0,0|1,0,0]=3 10000 B15R1.1952 C=CCCCOCC1CC(C1)C(=O)OC 7a_100009884387_100000757094 [0,1,0,1,0,0|1,0,0]=3 10001 B15R1.1952 C=CCOCCOC1CC(C1)C(=O)OC 34a_100000037705_100009897219 [0,1,0,1,0,0|2,0,0]=4 10002 B15R1.1952 C=CCOCCOC1CC(C1)C(=O)OC 7a_100000037705_100009897219 [0,1,0,1,0,0|2,0,0]=4 10003 B15R1.1952 C=COCCCNC1CC(C1)C(=O)OC 34a_100000210767_100009897219 [0,1,0,1,0,0|2,0,0]=4 10004 B15R1.1952 C=COCCOCC1CC(C1)C(=O)OC 34a_100009884387_100000039644 [0,1,0,1,0,0|2,0,0]=4 10005 B15R1.1952 C=COCCOCC1CC(C1)C(=O)OC 7a_100009884387_100000039644 [0,1,0,1,0,0|2,0,0]=4 10006 B15R1.1952 COC(=O)C1CC(C1)COCCCC=O 7a_100009884387_200011292268 [0,1,0,1,0,0|2,0,0]=4 10007 B15R1.1952 COC(=O)C1CC(C1)OCCCCC=O 7a_100000076263_100000139335 [0,1,0,1,0,0|2,0,0]=4 10008 B15R1.1952 COC(=O)C1CC(C1)SCCCCC=O 62a_100000139335_100009897219 [0,1,0,1,0,0|2,0,0]=4 10009 B15R1.1952 COC(=O)C1CC(C1)SCCCCC=O 62a_100009897219_100000139335 [0,1,0,1,0,0|2,0,0]=4 10010 B15R1.1952 COC(=O)C1CN(C1)CCCCCC=O 269982a_100015188540_100000139337 [0,1,0,1,0,0|2,0,0]=4 10011 B15R1.1984 C=CCCCN1CC(=C)C[C@H]1C(=O)OC 2230a_100025771018_100011713584 [0,1,0,1,0,0|1,0,1]=4 10012 B15R1.1984 C=CCCCN1C[C@@H](C[C@H]1C(=O)OC)O 2230a_100000753705_100011713584 [0,1,0,1,0,0|1,0,0]=3 10013 B15R1.1984 C=CCCCN1C[C@@H](C[C@H]1C(=O)OC)O 269982a_100000753705_100000757094 [0,1,0,1,0,0|1,0,0]=3 10014 B15R1.1984 C=CCCCN1C[C@H](C[C@H]1C(=O)OC)F 2230a_100000724535_100011713584 [0,1,0,1,0,0|1,0,0]=3 10015 B15R1.1984 C=CCCCN1C[C@H](C[C@H]1C(=O)OC)F 269982a_100000724535_100000757094 [0,1,0,1,0,0|1,0,0]=3 10016 B15R1.1984 C=CCCCN1C[C@H](C[C@H]1C(=O)OC)F 34a_100000724535_100000757094 [0,1,0,1,0,0|1,0,0]=3 10017 B15R1.1984 C=COCCN1C[C@@H](C[C@H]1C(=O)OC)O 2230a_100000753705_100000039644 [0,1,0,1,0,0|2,0,0]=4 10018 B15R1.1984 C=COCCN1C[C@@H](C[C@H]1C(=O)OC)O 269982a_100000753705_100000039644 [0,1,0,1,0,0|2,0,0]=4 10019 B15R1.1984 C=COCCN1C[C@H](C[C@H]1C(=O)OC)F 2230a_100000724535_100000039644 [0,1,0,1,0,0|2,0,0]=4 10020 B15R1.1984 C=COCCN1C[C@H](C[C@H]1C(=O)OC)F 269982a_100000724535_100000039644 [0,1,0,1,0,0|2,0,0]=4 10021 B15R1.1984 C=COCCN1C[C@H](C[C@H]1C(=O)OC)F 34a_100000724535_100000039644 [0,1,0,1,0,0|2,0,0]=4 10022 B15R1.1984 COC(=O)[C@@H]1C[C@@H](CN1CCCC=O)F 2230a_100000724535_200011292268 [0,1,0,1,0,0|2,0,0]=4 10023 B15R1.1984 COC(=O)[C@@H]1C[C@@H](CN1CCCC=O)F 269982a_100000724535_200011292268 [0,1,0,1,0,0|2,0,0]=4 10024 B15R1.1984 COC(=O)[C@@H]1C[C@H](CN1CCCC=O)O 2230a_100000753705_200011292268 [0,1,0,1,0,0|2,0,0]=4 10025 B15R1.1984 COC(=O)[C@@H]1C[C@H](CN1CCCC=O)O 269982a_100000753705_200011292268 [0,1,0,1,0,0|2,0,0]=4 10026 B15R1.5815 COC(=O)CCC(=O)C1CCCCC1=O 1458a_100000187943_100000204591 [0,1,0,1,0,0|1,0,1]=4 10027 B15R1.5815 COC(=O)CCN(C)C1CCCCC1=O 269982a_100025711912_100000204591 [0,1,0,1,0,0|2,0,0]=4 10028 B15R1.5816 COC(=O)CCC(=O)CCC1CCC1=O 1458a_100000187943_200016118888 [0,1,0,1,0,0|1,0,1]=4 10029 B15R1.5816 COC(=O)CCN(C)CCC1CCC1=O 269982a_100025711912_200016118888 [0,1,0,1,0,0|2,0,0]=4 10030 B15R1.10885 C=CCCN1CCC(CC1C(=O)OC)O 2230a_100020629045_100000754431 [0,1,0,1,0,0|1,0,0]=3 10031 B15R1.10885 C=CCCN1CCC(CC1C(=O)OC)O 269982a_100020629045_100000754431 [0,1,0,1,0,0|1,0,0]=3 10032 B15R1.11427 COC(=O)CCN1CCCCCCCC1 2230a_100000039187_100000204255 [0,1,0,1,0,0|0,0,2]=4 10033 B15R1.11427 COC(=O)CCN1CCCCCCCC1 269982a_100000039187_100000204255 [0,1,0,1,0,0|0,0,2]=4 10034 B15R1.11427 COC(=O)CCN1CCCCCCCC1 34a_100000039187_100000742370 [0,1,0,1,0,0|0,0,2]=4 10035 B15R1.12032 C=CCCCCNC1CCC(=O)N(C1)C 2230a_100011935005_100011215482 [0,1,0,1,0,0|2,0,0]=4 10036 B15R1.12032 C=CCCCCNC1CCC(=O)N(C1)C 34a_100011935005_100011215482 [0,1,0,1,0,0|2,0,0]=4 10037 B15R1.44677 C=CCCCCOC1(CCC(=O)CC1)C 34a_100012184276_100011215482 [0,1,0,1,0,0|2,0,0]=4 10038 B15R1.44677 C=CCCCCOC1(CCC(=O)CC1)C 7a_100012184276_100011215482 [0,1,0,1,0,0|2,0,0]=4 10039 B15R1.961 CNC(=O)CCCOC[C@@H]1C=C[C@@H](C1)N 34a_100020646542_100000741757 [0,1,0,1,0,0|2,0,0]=4 10040 B15R1.961 COC(=O)CCCCOC1CCC(=O)C1 34a_100012614533_100000204269 [0,1,0,1,0,0|1,0,1]=4 10041 B15R1.961 COC(=O)CCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100011218270 [0,1,0,1,0,0|2,0,0]=4 10042 B15R1.961 COC(=O)CCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000742333 [0,1,0,1,0,0|2,0,0]=4 10043 B15R1.961 COC(=O)CCCOCC1CCC(=O)N1 34a_100000737831_100000742333 [0,1,0,1,0,0|2,0,0]=4 10044 B15R1.961 COC(=O)CCCOC[C@@H]1C=C[C@@H](C1)N 34a_100020646542_100000742333 [0,1,0,1,0,0|1,0,0]=3 10045 B15R1.961 COC(=O)CCCSC[C@@H]1CCC(=O)N1 62a_100011218270_100015189358 [0,1,0,1,0,0|2,0,0]=4 10046 B15R1.961 COC(=O)CCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100011218270 [0,1,0,1,0,0|2,0,0]=4 10047 B15R1.962 CNC(=O)CCCNCC1CC=CCC1 270004a_100000740002_100000189434 [0,1,0,1,0,0|2,0,0]=4 10048 B15R1.962 CNC(=O)CCCOCC1CC=CCC1 34a_100000210713_100000741757 [0,1,0,1,0,0|2,0,0]=4 10049 B15R1.962 CNC(=O)CCCOCC1CCC=CO1 34a_100011217868_100000741757 [0,1,0,1,0,0|2,0,0]=4 10050 B15R1.962 COC(=O)CCCCCN1CC=CCC1 2230a_100000698166_100009816466 [0,1,0,1,0,0|1,0,0]=3 10051 B15R1.962 COC(=O)CCCCCN1CC=CCC1 269982a_100000698166_100009816466 [0,1,0,1,0,0|1,0,0]=3 10052 B15R1.962 COC(=O)CCCCCN1CC=CCC1 34a_100000698166_100009816466 [0,1,0,1,0,0|1,0,0]=3 10053 B15R1.962 COC(=O)CCCCCN1CCCOC1 2230a_100000131196_100009816466 [0,1,0,1,0,0|1,0,1]=4 10054 B15R1.962 COC(=O)CCCCCN1CCCOC1 269982a_100000131196_100009816466 [0,1,0,1,0,0|1,0,1]=4 10055 B15R1.962 COC(=O)CCCCCN1CCCOC1 34a_100000131196_100009816466 [0,1,0,1,0,0|1,0,1]=4 10056 B15R1.962 COC(=O)CCCCNC1CCCCC1 2230a_100000182618_100000204269 [0,1,0,1,0,0|0,0,2]=4 10057 B15R1.962 COC(=O)CCCCNC1CCCCC1 34a_100000182618_100000204269 [0,1,0,1,0,0|0,0,2]=4 10058 B15R1.962 COC(=O)CCCCNC1CCCOC1 2230a_100000719290_100000204269 [0,1,0,1,0,0|1,0,1]=4 10059 B15R1.962 COC(=O)CCCCNC1CCCOC1 34a_100000719290_100000204269 [0,1,0,1,0,0|1,0,1]=4 10060 B15R1.962 COC(=O)CCCCOC1C=CCCC1 34a_100011215024_100000204269 [0,1,0,1,0,0|0,0,0]=2 10061 B15R1.962 COC(=O)CCCCOC1C=CCCC1 7a_100000059025_100000751183 [0,1,0,1,0,0|0,0,0]=2 10062 B15R1.962 COC(=O)CCCCOC1CC=CCC1 34a_100000073881_100000204269 [0,1,0,1,0,0|1,0,0]=3 10063 B15R1.962 COC(=O)CCCCOC1CCCCC1 34a_100000059025_100000210327 [0,1,0,1,0,0|0,0,2]=4 10064 B15R1.962 COC(=O)CCCCOC1CCCCC1 34a_100000210231_100000204269 [0,1,0,1,0,0|0,0,2]=4 10065 B15R1.962 COC(=O)CCCCOC1CCCCC1 7a_100000059025_100000210327 [0,1,0,1,0,0|0,0,2]=4 10066 B15R1.962 COC(=O)CCCCOC1CCCCC1 7a_100000210231_100000204269 [0,1,0,1,0,0|0,0,2]=4 10067 B15R1.962 COC(=O)CCCCOC1CCCCO1 34a_100000033831_100000204269 [0,1,0,1,0,0|1,0,1]=4 10068 B15R1.962 COC(=O)CCCCOC1CCCOC1 34a_100000059025_100000693364 [0,1,0,1,0,0|1,0,1]=4 10069 B15R1.962 COC(=O)CCCCOC1CCCOC1 34a_100000754041_100000204269 [0,1,0,1,0,0|1,0,1]=4 10070 B15R1.962 COC(=O)CCCCOC1CCCOC1 7a_100000059025_100000693364 [0,1,0,1,0,0|1,0,1]=4 10071 B15R1.962 COC(=O)CCCCOC1CCCSC1 7a_100015962668_100000204269 [0,1,0,1,0,0|1,0,1]=4 10072 B15R1.962 COC(=O)CCCCSC1C=CCCC1 62a_100000204269_100000751183 [0,1,0,1,0,0|0,0,0]=2 10073 B15R1.962 COC(=O)CCCCSC1C=CCCC1 62a_100000751183_100000204269 [0,1,0,1,0,0|0,0,0]=2 10074 B15R1.962 COC(=O)CCCCSC1CCCCC1 62a_100000204269_100000210327 [0,1,0,1,0,0|0,0,2]=4 10075 B15R1.962 COC(=O)CCCCSC1CCCCC1 62a_100000210327_100000204269 [0,1,0,1,0,0|0,0,2]=4 10076 B15R1.962 COC(=O)CCCCSC1CCCOC1 62a_100000204269_100000693364 [0,1,0,1,0,0|1,0,1]=4 10077 B15R1.962 COC(=O)CCCNCC1CCCCC1 2230a_100000210473_100011218270 [0,1,0,1,0,0|0,0,2]=4 10078 B15R1.962 COC(=O)CCCNCC1CCCCC1 34a_100000210473_100000742333 [0,1,0,1,0,0|0,0,2]=4 10079 B15R1.962 COC(=O)CCCNCC1CCCCO1 2230a_100000174945_100011218270 [0,1,0,1,0,0|1,0,1]=4 10080 B15R1.962 COC(=O)CCCNCC1CCCCO1 34a_100000174945_100000742333 [0,1,0,1,0,0|1,0,1]=4 10081 B15R1.962 COC(=O)CCCNCC1CCCOC1 2230a_100000720124_100011218270 [0,1,0,1,0,0|1,0,1]=4 10082 B15R1.962 COC(=O)CCCNCC1CCCOC1 34a_100000720124_100000742333 [0,1,0,1,0,0|1,0,1]=4 10083 B15R1.962 COC(=O)CCCOCC1CC=CCC1 34a_100000210713_100000742333 [0,1,0,1,0,0|1,0,0]=3 10084 B15R1.962 COC(=O)CCCOCC1CCC=CO1 34a_100011217868_100000742333 [0,1,0,1,0,0|1,0,0]=3 10085 B15R1.962 COC(=O)CCCOCC1CCCCC1 34a_100000212181_100000742333 [0,1,0,1,0,0|0,0,2]=4 10086 B15R1.962 COC(=O)CCCOCC1CCCCC1 7a_100000212181_100011218270 [0,1,0,1,0,0|0,0,2]=4 10087 B15R1.962 COC(=O)CCCOCC1CCCCN1 34a_100000210821_100000742333 [0,1,0,1,0,0|1,0,1]=4 10088 B15R1.962 COC(=O)CCCOCC1CCCCO1 34a_100000211370_100000742333 [0,1,0,1,0,0|1,0,1]=4 10089 B15R1.962 COC(=O)CCCOCC1CCCCO1 7a_100000211370_100011218270 [0,1,0,1,0,0|1,0,1]=4 10090 B15R1.962 COC(=O)CCCOCC1CCCNC1 34a_100000211344_100000742333 [0,1,0,1,0,0|1,0,1]=4 10091 B15R1.962 COC(=O)CCCOCC1CCCOC1 34a_100000741520_100000742333 [0,1,0,1,0,0|1,0,1]=4 10092 B15R1.962 COC(=O)CCCSCC1CCCCC1 62a_100000211423_100011218270 [0,1,0,1,0,0|0,0,2]=4 10093 B15R1.962 COC(=O)CCCSCC1CCCCC1 62a_100011218270_100000211423 [0,1,0,1,0,0|0,0,2]=4 10094 B15R1.962 COC(=O)CCCSCC1CCCCO1 62a_100000211543_100011218270 [0,1,0,1,0,0|1,0,1]=4 10095 B15R1.962 COC(=O)CCCSCC1CCCCO1 62a_100011218270_100000211543 [0,1,0,1,0,0|1,0,1]=4 10096 B15R1.962 COC(=O)CCCSCC1CCCOC1 62a_100000741521_100011218270 [0,1,0,1,0,0|1,0,1]=4 10097 B15R1.962 COC(=O)CCCSCC1CCCOC1 62a_100011218270_100000741521 [0,1,0,1,0,0|1,0,1]=4 10098 B15R1.962 COC(=O)CCNCCC1=CCCCC1 2230a_100000212019_100000204255 [0,1,0,1,0,0|0,0,2]=4 10099 B15R1.962 COC(=O)CCNCCC1=CCCCC1 34a_100000212019_100000742370 [0,1,0,1,0,0|0,0,2]=4 10100 B15R1.962 COC(=O)CCNCCC1CCCCC1 2230a_100000738074_100000204255 [0,1,0,1,0,0|0,0,2]=4 10101 B15R1.962 COC(=O)CCNCCC1CCCCC1 34a_100000738074_100000742370 [0,1,0,1,0,0|0,0,2]=4 10102 B15R1.962 COC(=O)CCNCCC1CCCCO1 2230a_100015183643_100000204255 [0,1,0,1,0,0|1,0,1]=4 10103 B15R1.962 COC(=O)CCNCCC1CCCCO1 34a_100015183643_100000742370 [0,1,0,1,0,0|1,0,1]=4 10104 B15R1.962 COC(=O)CCOCCC1CCCCC1 34a_100011217863_100000742370 [0,1,0,1,0,0|0,0,2]=4 10105 B15R1.962 COC(=O)CCOCCC1CCCCC1 7a_100011217863_100000204255 [0,1,0,1,0,0|0,0,2]=4 10106 B15R1.962 COC(=O)CCOCCC1CCCCN1 34a_100000211664_100000742370 [0,1,0,1,0,0|1,0,1]=4 10107 B15R1.962 COC(=O)CCOCCC1CCCNC1 34a_100000752241_100000742370 [0,1,0,1,0,0|1,0,1]=4 10108 B15R1.962 COC(=O)CCSCCC1CCCCC1 62a_100000204255_100012355289 [0,1,0,1,0,0|0,0,2]=4 10109 B15R1.962 COC(=O)CCSCCC1CCCCC1 62a_100012355289_100000204255 [0,1,0,1,0,0|0,0,2]=4 10110 B15R1.962 COC(=O)CNCCCC1CCCCC1 2230a_100011211642_100000747449 [0,1,0,1,0,0|0,0,2]=4 10111 B15R1.962 COC(=O)CNCCCC1CCCCC1 34a_100011211642_100000747449 [0,1,0,1,0,0|0,0,2]=4 10112 B15R1.962 COC(=O)COCCCC1CCCCC1 34a_100000198086_100000747449 [0,1,0,1,0,0|0,0,2]=4 10113 B15R1.962 COC(=O)COCCCC1CCCCC1 7a_100000198086_100000747449 [0,1,0,1,0,0|0,0,2]=4 10114 B15R1.962 COC(=O)COCCCC1CCCCN1 34a_100011934581_100000747449 [0,1,0,1,0,0|1,0,1]=4 10115 B15R1.962 COC(=O)COCCCC1CCCNC1 34a_100150707839_100000747449 [0,1,0,1,0,0|1,0,1]=4 10116 B15R1.962 COC(=O)COCCOC1C=CCCC1 34a_100011215024_100000090808 [0,1,0,1,0,0|1,0,0]=3 10117 B15R1.962 COC(=O)COCCOC1CC=CCC1 34a_100000073881_100000090808 [0,1,0,1,0,0|2,0,0]=4 10118 B15R1.962 COC(=O)COCCSC1C=CCCC1 62a_100000090808_100000751183 [0,1,0,1,0,0|1,0,0]=3 10119 B15R1.962 COC(=O)COCCSC1C=CCCC1 62a_100000751183_100000090808 [0,1,0,1,0,0|1,0,0]=3 10120 B15R1.962 COC(=O)CSCCCC1CCCCC1 62a_100000747449_100011713725 [0,1,0,1,0,0|0,0,2]=4 10121 B15R1.962 COC(=O)CSCCCC1CCCCC1 62a_100011713725_100000747449 [0,1,0,1,0,0|0,0,2]=4 10122 B15R1.1091 CNC(=O)CCCNC1CCCCC1=O 34a_100000740002_100000754470 [0,1,0,1,0,0|2,0,0]=4 10123 B15R1.1091 CNC(=O)CCCOC1CCCCC1=O 34a_100011214950_100000741757 [0,1,0,1,0,0|2,0,0]=4 10124 B15R1.1091 CNC(=O)CCCSC1CCCCC1=O 62a_100000204591_100000741757 [0,1,0,1,0,0|2,0,0]=4 10125 B15R1.1091 CNC(=O)CCCSC1CCCCC1=O 62a_100000741757_100000204591 [0,1,0,1,0,0|2,0,0]=4 10126 B15R1.1091 CNC(=O)CCOCC1CCCCC1=O 34a_100009861125_100012179268 [0,1,0,1,0,0|2,0,0]=4 10127 B15R1.1091 CNC(=O)CCOCC1CCCCC1=O 7a_100009861125_100000737683 [0,1,0,1,0,0|2,0,0]=4 10128 B15R1.1091 COC(=O)CCCCN1CCCCC1C 2230a_100000211376_100000204269 [0,1,0,1,0,0|0,0,2]=4 10129 B15R1.1091 COC(=O)CCCCN1CCCCC1C 269982a_100000211376_100000204269 [0,1,0,1,0,0|0,0,2]=4 10130 B15R1.1091 COC(=O)CCCCN1CCCCC1C 34a_100000211376_100000204269 [0,1,0,1,0,0|0,0,2]=4 10131 B15R1.1091 COC(=O)CCCNC1CCCCC1C 2230a_100000211402_100011218270 [0,1,0,1,0,0|0,0,2]=4 10132 B15R1.1091 COC(=O)CCCNC1CCCCC1C 34a_100000211402_100000742333 [0,1,0,1,0,0|0,0,2]=4 10133 B15R1.1091 COC(=O)CCCNC1CCCNC1=O 2230a_100000747585_100011218270 [0,1,0,1,0,0|2,0,0]=4 10134 B15R1.1091 COC(=O)CCCNC1CCCNC1=O 34a_100000747585_100000742333 [0,1,0,1,0,0|2,0,0]=4 10135 B15R1.1091 COC(=O)CCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100011218270 [0,1,0,1,0,0|1,0,1]=4 10136 B15R1.1091 COC(=O)CCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000742333 [0,1,0,1,0,0|1,0,1]=4 10137 B15R1.1091 COC(=O)CCCOC1CCCCC1=O 34a_100011214950_100000742333 [0,1,0,1,0,0|1,0,0]=3 10138 B15R1.1091 COC(=O)CCCOC1CCCCC1C 34a_100000211207_100000742333 [0,1,0,1,0,0|0,0,2]=4 10139 B15R1.1091 COC(=O)CCCOC1CCCCC1C 7a_100000211207_100011218270 [0,1,0,1,0,0|0,0,2]=4 10140 B15R1.1091 COC(=O)CCCOC1CCCCC1Cl 34a_100000038908_100000742333 [0,1,0,1,0,0|1,0,1]=4 10141 B15R1.1091 COC(=O)CCCOC1CCCCC1Cl 7a_100000038908_100011218270 [0,1,0,1,0,0|1,0,1]=4 10142 B15R1.1091 COC(=O)CCCOC1CCCNC1=O 34a_100000073722_100000742333 [0,1,0,1,0,0|2,0,0]=4 10143 B15R1.1091 COC(=O)CCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000742333 [0,1,0,1,0,0|1,0,1]=4 10144 B15R1.1091 COC(=O)CCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100011218270 [0,1,0,1,0,0|1,0,1]=4 10145 B15R1.1091 COC(=O)CCCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000742333 [0,1,0,1,0,0|1,0,1]=4 10146 B15R1.1091 COC(=O)CCCSC1CCCCC1=O 62a_100000204591_100011218270 [0,1,0,1,0,0|1,0,0]=3 10147 B15R1.1091 COC(=O)CCCSC1CCCCC1=O 62a_100011218270_100000204591 [0,1,0,1,0,0|1,0,0]=3 10148 B15R1.1091 COC(=O)CCCSC1CCCCC1F 62a_100011218270_100015423560 [0,1,0,1,0,0|1,0,1]=4 10149 B15R1.1091 COC(=O)CCCSC1CCCCC1F 62a_100015423560_100011218270 [0,1,0,1,0,0|1,0,1]=4 10150 B15R1.1091 COC(=O)CCCSC1CCCCC1O 62a_100000038908_100011218270 [0,1,0,1,0,0|1,0,1]=4 10151 B15R1.1091 COC(=O)CCCSC1CCCCC1O 62a_100011218270_100000038908 [0,1,0,1,0,0|1,0,1]=4 10152 B15R1.1091 COC(=O)CCCSC1CCCNC1=O 62a_100000687798_100011218270 [0,1,0,1,0,0|2,0,0]=4 10153 B15R1.1091 COC(=O)CCCSC1CCCNC1=O 62a_100011218270_100000687798 [0,1,0,1,0,0|2,0,0]=4 10154 B15R1.1091 COC(=O)CCCSC1COCCC1=O 62a_100011218270_100012180262 [0,1,0,1,0,0|2,0,0]=4 10155 B15R1.1091 COC(=O)CCCSC1COCCC1=O 62a_100012180262_100011218270 [0,1,0,1,0,0|2,0,0]=4 10156 B15R1.1091 COC(=O)CCNCC1CCCCC1O 34a_100011216029_100000742370 [0,1,0,1,0,0|1,0,1]=4 10157 B15R1.1091 COC(=O)CCNCC1CCCCN1C 34a_100011228421_100000742370 [0,1,0,1,0,0|1,0,1]=4 10158 B15R1.1091 COC(=O)CCOCC1CCCCC1=O 34a_100009861125_100000742370 [0,1,0,1,0,0|1,0,0]=3 10159 B15R1.1091 COC(=O)CCOCC1CCCCC1=O 7a_100009861125_100000204255 [0,1,0,1,0,0|1,0,0]=3 10160 B15R1.1091 COC(=O)CCOCC1CCCCN1C 34a_100000225079_100000742370 [0,1,0,1,0,0|1,0,1]=4 10161 B15R1.1091 COC(=O)CCSCC1CCCCN1C 62a_100000204255_100015185383 [0,1,0,1,0,0|1,0,1]=4 10162 B15R1.1091 COC(=O)CCSCC1CCCCN1C 62a_100015185383_100000204255 [0,1,0,1,0,0|1,0,1]=4 10163 B15R1.1091 COC(=O)CNCCN1CCCCC1=O 2230a_100160573077_100000747449 [0,1,0,1,0,0|2,0,0]=4 10164 B15R1.1091 COC(=O)CNCCN1CCCCC1=O 34a_100160573077_100000747449 [0,1,0,1,0,0|2,0,0]=4 10165 B15R1.1091 COC(=O)CSCCC1CCCCN1C 62a_100000211948_100000747449 [0,1,0,1,0,0|1,0,1]=4 10166 B15R1.1091 COC(=O)CSCCC1CCCCN1C 62a_100000747449_100000211948 [0,1,0,1,0,0|1,0,1]=4 10167 B15R1.1091 COC(=O)NCCOC1CCCCC1=O 34a_100000757965_100000754470 [0,1,0,1,0,0|2,0,0]=4 10168 B15R1.1091 COC(=O)OCCOC1CCCCC1=O 34a_100010262106_100000754470 [0,1,0,1,0,0|2,0,0]=4 10169 B15R1.1248 C=CCCC(=O)N1CCC[C@H]1C(=O)OC 11a_100000752040_100000749702 [0,1,0,1,0,0|1,0,1]=4 10170 B15R1.1248 C=CCCC(=O)N1CCC[C@H]1C(=O)OC 1626a_100000752040_100000749702 [0,1,0,1,0,0|1,0,1]=4 10171 B15R1.1248 C=CCCC(=O)N1CCC[C@H]1C(=O)OC 240690a_100000752040_100000749702 [0,1,0,1,0,0|1,0,1]=4 10172 B15R1.1248 C=CCCC(=O)N1CCC[C@H]1C(=O)OC 527a_100000752040_100000749702 [0,1,0,1,0,0|1,0,1]=4 10173 B15R1.1248 C=CCCC(C)N1CCC[C@H]1C(=O)NC 270004a_100015185040_100000762624 [0,1,0,1,0,0|2,0,0]=4 10174 B15R1.1248 C=CCCC(C)N1CCC[C@H]1C(=O)OC 270004a_100000752040_100000762624 [0,1,0,1,0,0|1,0,0]=3 10175 B15R1.1248 C=CCCC(C)N1CCSC1C(=O)OC 270004a_100015296106_100000762624 [0,1,0,1,0,0|2,0,0]=4 10176 B15R1.1248 C=CCCC(C)N1CSCC1C(=O)OC 270004a_200000724679_100000762624 [0,1,0,1,0,0|2,0,0]=4 10177 B15R1.1054 C=CCCN1CCCCC1(C)C(=O)OC 2230a_100015186357_100000754431 [0,1,0,1,0,0|1,0,0]=3 10178 B15R1.1054 C=CCCN1CCCCC1(C)C(=O)OC 269982a_100015186357_100000754431 [0,1,0,1,0,0|1,0,0]=3 10179 B15R1.1054 C=CCCN1CCCCC1(C)C(=O)OC 34a_100015186357_100000754431 [0,1,0,1,0,0|1,0,0]=3 10180 B15R1.1137 COC1CCCCCCCCCCC1=O 34a_100138415774_200009990614 [0,1,0,1,0,0|0,0,2]=4 10181 B15R1.1182 C=CCCCN1CCCC(C1)C(=O)NC 2230a_100000754358_100011713584 [0,1,0,1,0,0|2,0,0]=4 10182 B15R1.1182 C=CCCCN1CCCC(C1)C(=O)NC 269982a_100000754358_100000757094 [0,1,0,1,0,0|2,0,0]=4 10183 B15R1.1182 C=CCCCN1CCCC(C1)C(=O)NC 34a_100000754358_100000757094 [0,1,0,1,0,0|2,0,0]=4 10184 B15R1.1182 C=CCCCN1CCC[C@@H](C1)C(=O)OC 2230a_100016988859_100011713584 [0,1,0,1,0,0|1,0,0]=3 10185 B15R1.1182 C=CCCCN1CCC[C@@H](C1)C(=O)OC 269982a_100016988859_100000757094 [0,1,0,1,0,0|1,0,0]=3 10186 B15R1.1182 C=CCCCN1CCOC(C1)C(=O)OC 2230a_100000751517_100011713584 [0,1,0,1,0,0|2,0,0]=4 10187 B15R1.1182 C=CCCCN1CCOC(C1)C(=O)OC 269982a_100000751517_100000757094 [0,1,0,1,0,0|2,0,0]=4 10188 B15R1.1182 C=CCCCN1CCOC(C1)C(=O)OC 34a_100000751517_100000757094 [0,1,0,1,0,0|2,0,0]=4 10189 B15R1.1182 C=CCCOC1CCCC(C1)C(=O)OC 34a_100012184231_100000754431 [0,1,0,1,0,0|1,0,0]=3 10190 B15R1.1182 C=CCCOC1CCCC(C1)C(=O)OC 7a_100012184231_100000754431 [0,1,0,1,0,0|1,0,0]=3 10191 B15R1.1182 C=COCCN1CCC[C@@H](C1)C(=O)OC 2230a_100016988859_100000039644 [0,1,0,1,0,0|2,0,0]=4 10192 B15R1.1182 C=COCCN1CCC[C@@H](C1)C(=O)OC 269982a_100016988859_100000039644 [0,1,0,1,0,0|2,0,0]=4 10193 B15R1.1182 COC(=O)[C@H]1CCCN(C1)CCCC=O 2230a_100016988859_200011292268 [0,1,0,1,0,0|2,0,0]=4 10194 B15R1.1182 COC(=O)[C@H]1CCCN(C1)CCCC=O 269982a_100016988859_200011292268 [0,1,0,1,0,0|2,0,0]=4 10195 B15R1.1205 C=CCCCN1CCC[C@@]1(C)C(=O)OC 2230a_100000719487_100011713584 [0,1,0,1,0,0|1,0,0]=3 10196 B15R1.1205 C=CCCCN1CCC[C@@]1(C)C(=O)OC 269982a_100000719487_100000757094 [0,1,0,1,0,0|1,0,0]=3 10197 B15R1.1205 C=CCCCN1CCC[C@@]1(C)C(=O)OC 34a_100000719487_100000757094 [0,1,0,1,0,0|1,0,0]=3 10198 B15R1.1205 C=COCCN1CCC[C@@]1(C)C(=O)OC 2230a_100000719487_100000039644 [0,1,0,1,0,0|2,0,0]=4 10199 B15R1.1205 C=COCCN1CCC[C@@]1(C)C(=O)OC 269982a_100000719487_100000039644 [0,1,0,1,0,0|2,0,0]=4 10200 B15R1.1205 C=COCCN1CCC[C@@]1(C)C(=O)OC 34a_100000719487_100000039644 [0,1,0,1,0,0|2,0,0]=4 10201 B15R1.1205 COC(=O)[C@@]1(CCCN1CCCC=O)C 2230a_100000719487_200011292268 [0,1,0,1,0,0|2,0,0]=4 10202 B15R1.1205 COC(=O)[C@@]1(CCCN1CCCC=O)C 269982a_100000719487_200011292268 [0,1,0,1,0,0|2,0,0]=4 10203 B15R1.1321 COC(=O)C(C)CCOC1C=CCCC1 34a_100011215024_100000034942 [0,1,0,1,0,0|1,0,0]=3 10204 B15R1.1321 COC(=O)C(C)CCSC1C=CCCC1 62a_100000034942_100000751183 [0,1,0,1,0,0|1,0,0]=3 10205 B15R1.1321 COC(=O)C(C)CCSC1C=CCCC1 62a_100000751183_100000034942 [0,1,0,1,0,0|1,0,0]=3 10206 B15R1.1322 COC(=O)C(C)SC1CCCCCC1=O 62a_100000211248_100000243696 [0,1,0,1,0,0|2,0,0]=4 10207 B15R1.1322 COC(=O)C(C)SC1CCCCCC1=O 62a_100000243696_100000211248 [0,1,0,1,0,0|2,0,0]=4 10208 B15R1.1323 COC(=O)C(C)COC1CCCCC1=O 34a_100000749362_100000754470 [0,1,0,1,0,0|2,0,0]=4 10209 B15R1.1323 COC(=O)C(C)COC1CCCCC1=O 34a_100011214950_100000698445 [0,1,0,1,0,0|2,0,0]=4 10210 B15R1.1323 COC(=O)C(C)COC1CCCCC1=O 7a_100000749362_100000204591 [0,1,0,1,0,0|2,0,0]=4 10211 B15R1.1323 COC(=O)C(C)CSC1CCCCC1=O 62a_100000204591_100000698445 [0,1,0,1,0,0|2,0,0]=4 10212 B15R1.1323 COC(=O)C(C)CSC1CCCCC1=O 62a_100000698445_100000204591 [0,1,0,1,0,0|2,0,0]=4 10213 B15R1.1323 COC(=O)C(C)OCC1CCCCC1=O 34a_100009861125_100000211248 [0,1,0,1,0,0|2,0,0]=4 10214 B15R1.1323 COC(=O)C(C)OCC1CCCCC1=O 7a_100009861125_100000211248 [0,1,0,1,0,0|2,0,0]=4 10215 B15R1.1323 COC(=O)C(F)COC1CCCCC1=O 34a_200009849844_100000754470 [0,1,0,1,0,0|2,0,0]=4 10216 B15R1.1323 COC(=O)[C@H](N)COC1CCCCC1=O 34a_100000003586_100000754470 [0,1,0,1,0,0|2,0,0]=4 10217 B15R1.1417 COC(=O)C(C)CCOC1CCCC1=O 34a_200000719330_100000034942 [0,1,0,1,0,0|2,0,0]=4 10218 B15R1.1417 COC(=O)C(C)CCSC1CCCC1=O 62a_100000034942_100000211823 [0,1,0,1,0,0|2,0,0]=4 10219 B15R1.1417 COC(=O)C(C)CCSC1CCCC1=O 62a_100000211823_100000034942 [0,1,0,1,0,0|2,0,0]=4 10220 B15R1.2966 CNC(=O)C(C)OC1C=CCCCCC1 34a_100000688657_100000731044 [0,1,0,1,0,0|2,0,0]=4 10221 B15R1.2966 CNC(=O)C(F)OC1C=CCCCCC1 34a_100000688657_100009813575 [0,1,0,1,0,0|2,0,0]=4 10222 B15R1.2966 COC(=O)C(C)OC1C=CCCCCC1 34a_100000688657_100000211248 [0,1,0,1,0,0|1,0,0]=3 10223 B15R1.3515 C=CCCCCCCNC1CCNC1=O 2230a_100016995588_100011215473 [0,1,0,1,0,0|2,0,0]=4 10224 B15R1.3515 C=CCCCCCCNC1CCNC1=O 34a_100016995588_100011215473 [0,1,0,1,0,0|2,0,0]=4 10225 B15R1.3515 C=CCCCCCCN[C@@H]1CONC1=O 2230a_100000765999_100011215473 [0,1,0,1,0,0|1,0,0]=3 10226 B15R1.3515 C=CCCCCCCN[C@@H]1CONC1=O 34a_100000765999_100011215473 [0,1,0,1,0,0|1,0,0]=3 10227 B15R1.3515 C=CCCCCCCOC1CCCC1=O 34a_200000719330_100011215473 [0,1,0,1,0,0|2,0,0]=4 10228 B15R1.3515 C=CCCCCCCOC1CCCC1=O 34a_200011216477_100000709159 [0,1,0,1,0,0|2,0,0]=4 10229 B15R1.3515 C=CCCCCCCOC1CCCC1=O 7a_200011216477_100000211823 [0,1,0,1,0,0|2,0,0]=4 10230 B15R1.3515 C=CCCCCCCOC1CCOC1=O 34a_200011216477_100000211211 [0,1,0,1,0,0|1,0,0]=3 10231 B15R1.3515 C=CCCCCCCOC1CCOC1=O 7a_200011216477_100000211211 [0,1,0,1,0,0|1,0,0]=3 10232 B15R1.3515 C=CCCCCCCO[C@H]1CCNC1=O 34a_100000688343_100011215473 [0,1,0,1,0,0|2,0,0]=4 10233 B15R1.3515 C=CCCCCCCSC1CCCC1=O 62a_100000211823_100011215473 [0,1,0,1,0,0|2,0,0]=4 10234 B15R1.3515 C=CCCCCCCSC1CCCC1=O 62a_100011215473_100000211823 [0,1,0,1,0,0|2,0,0]=4 10235 B15R1.3515 C=CCCCCCCSC1CCOC1=O 62a_100000211211_100011215473 [0,1,0,1,0,0|1,0,0]=3 10236 B15R1.3515 C=CCCCCCCSC1CCOC1=O 62a_100011215473_100000211211 [0,1,0,1,0,0|1,0,0]=3 10237 B15R1.3515 C=CCCCCCOCC1CCNC1=O 34a_100000133458_100000700193 [0,1,0,1,0,0|2,0,0]=4 10238 B15R1.5519 COC(=O)C(C)COCCC1CCC1=O 7a_100000749362_200016118888 [0,1,0,1,0,0|2,0,0]=4 10239 B15R1.5519 COC(=O)C(C)CSCCC1CCC1=O 62a_100000698445_200016118888 [0,1,0,1,0,0|2,0,0]=4 10240 B15R1.5519 COC(=O)C(C)CSCCC1CCC1=O 62a_200016118888_100000698445 [0,1,0,1,0,0|2,0,0]=4 10241 B15R1.1101 COC(=O)CCCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100009815986 [0,1,0,1,0,0|1,0,1]=4 10242 B15R1.1101 COC(=O)CCCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100009815986 [0,1,0,1,0,0|1,0,1]=4 10243 B15R1.1101 COC(=O)CCCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100009815986 [0,1,0,1,0,0|1,0,1]=4 10244 B15R1.1101 COC(=O)CCCCCOCC1CC1C 34a_100000744939_100009816466 [0,1,0,1,0,0|0,0,2]=4 10245 B15R1.1101 COC(=O)CCCCCOCC1CC1C 7a_100000744939_100009816466 [0,1,0,1,0,0|0,0,2]=4 10246 B15R1.1102 COC(=O)CCCCCCCN1CCC1 269982a_100000754969_100010004213 [0,1,0,1,0,0|0,0,2]=4 10247 B15R1.1102 COC(=O)CCCCCCNC1CCC1 2230a_100000749019_100009815986 [0,1,0,1,0,0|0,0,2]=4 10248 B15R1.1102 COC(=O)CCCCCCNC1CCC1 34a_100000749019_100009815986 [0,1,0,1,0,0|0,0,2]=4 10249 B15R1.1102 COC(=O)CCCCCCNC1COC1 2230a_100016991112_100009815986 [0,1,0,1,0,0|1,0,1]=4 10250 B15R1.1102 COC(=O)CCCCCCOC1CCC1 34a_100000748187_100009815986 [0,1,0,1,0,0|0,0,2]=4 10251 B15R1.1102 COC(=O)CCCCCCOC1CCC1 34a_100009863599_100000749161 [0,1,0,1,0,0|0,0,2]=4 10252 B15R1.1102 COC(=O)CCCCCCOC1COC1 34a_100009863599_100009818527 [0,1,0,1,0,0|1,0,1]=4 10253 B15R1.1102 COC(=O)CCCCCCOC1COC1 7a_100009863599_100009818527 [0,1,0,1,0,0|1,0,1]=4 10254 B15R1.1102 COC(=O)CCCCCCOC1CSC1 7a_100000072292_100009815986 [0,1,0,1,0,0|1,0,1]=4 10255 B15R1.1102 COC(=O)CCCCCCSC1CCC1 62a_100009815986_100000749161 [0,1,0,1,0,0|0,0,2]=4 10256 B15R1.1102 COC(=O)CCCCCCSC1COC1 62a_100009815986_100009818527 [0,1,0,1,0,0|1,0,1]=4 10257 B15R1.1102 COC(=O)CCCCCNCC1CCC1 2230a_100000738700_100009816466 [0,1,0,1,0,0|0,0,2]=4 10258 B15R1.1102 COC(=O)CCCCCNCC1CCC1 34a_100000738700_100009816466 [0,1,0,1,0,0|0,0,2]=4 10259 B15R1.1102 COC(=O)CCCCCNCC1COC1 2230a_100015281925_100009816466 [0,1,0,1,0,0|1,0,1]=4 10260 B15R1.1102 COC(=O)CCCCCNCC1COC1 34a_100015281925_100009816466 [0,1,0,1,0,0|1,0,1]=4 10261 B15R1.1102 COC(=O)CCCCCNC[C@@H]1CCO1 2230a_100020831831_100009816466 [0,1,0,1,0,0|1,0,1]=4 10262 B15R1.1102 COC(=O)CCCCCNC[C@@H]1CCO1 34a_100020831831_100009816466 [0,1,0,1,0,0|1,0,1]=4 10263 B15R1.1102 COC(=O)CCCCCOCC1CCC1 34a_100000074720_100000763275 [0,1,0,1,0,0|0,0,2]=4 10264 B15R1.1102 COC(=O)CCCCCOCC1CCC1 34a_100000760304_100009816466 [0,1,0,1,0,0|0,0,2]=4 10265 B15R1.1102 COC(=O)CCCCCOCC1CCC1 7a_100000074720_100000763275 [0,1,0,1,0,0|0,0,2]=4 10266 B15R1.1102 COC(=O)CCCCCOCC1CCO1 34a_100000039022_100009816466 [0,1,0,1,0,0|1,0,1]=4 10267 B15R1.1102 COC(=O)CCCCCOCC1CCO1 34a_100000074720_100000103362 [0,1,0,1,0,0|1,0,1]=4 10268 B15R1.1102 COC(=O)CCCCCOCC1CCO1 7a_100000074720_100000103362 [0,1,0,1,0,0|1,0,1]=4 10269 B15R1.1102 COC(=O)CCCCCOCC1CNC1 34a_100016987283_100009816466 [0,1,0,1,0,0|1,0,1]=4 10270 B15R1.1102 COC(=O)CCCCCOCC1COC1 34a_100000060846_100009816466 [0,1,0,1,0,0|1,0,1]=4 10271 B15R1.1102 COC(=O)CCCCCOCC1COC1 34a_100000074720_100010264016 [0,1,0,1,0,0|1,0,1]=4 10272 B15R1.1102 COC(=O)CCCCCOCC1COC1 7a_100000074720_100010264016 [0,1,0,1,0,0|1,0,1]=4 10273 B15R1.1102 COC(=O)CCCCCSCC1CCC1 62a_100000763275_100009816466 [0,1,0,1,0,0|0,0,2]=4 10274 B15R1.1102 COC(=O)CCCCCSCC1CCC1 62a_100009816466_100000763275 [0,1,0,1,0,0|0,0,2]=4 10275 B15R1.1102 COC(=O)CCCCCSCC1CCO1 62a_100000103362_100009816466 [0,1,0,1,0,0|1,0,1]=4 10276 B15R1.1102 COC(=O)CCCCCSCC1CCO1 62a_100009816466_100000103362 [0,1,0,1,0,0|1,0,1]=4 10277 B15R1.1102 COC(=O)CCCCCSCC1COC1 62a_100009816466_100010264016 [0,1,0,1,0,0|1,0,1]=4 10278 B15R1.1102 COC(=O)CCCCCSCC1COC1 62a_100010264016_100009816466 [0,1,0,1,0,0|1,0,1]=4 10279 B15R1.1102 COC(=O)CCCCOCCC1COC1 34a_100009855314_100000204269 [0,1,0,1,0,0|1,0,1]=4 10280 B15R1.1114 C=CC(O)COC1CCCC1C(=O)OC 34a_200000081814_100000730141 [0,1,0,1,0,0|1,0,0]=3 10281 B15R1.1114 C=CC(O)COC1CCCC1C(=O)OC 7a_200000081814_100000730141 [0,1,0,1,0,0|1,0,0]=3 10282 B15R1.1368 C=CC(O)CNCC1CCCC(=O)N1C 2230a_200010383782_100000730141 [0,1,0,1,0,0|2,0,0]=4 10283 B15R1.1368 C=CC(O)CNCC1CCCC(=O)N1C 34a_200010383782_100000730141 [0,1,0,1,0,0|2,0,0]=4 10284 B15R1.3179 CNC(=O)CCCNCCC1CCC1=O 2230a_100000740002_200016118888 [0,1,0,1,0,0|2,0,0]=4 10285 B15R1.3179 CNC(=O)CCCSCCC1CCC1=O 62a_100000741757_200016118888 [0,1,0,1,0,0|2,0,0]=4 10286 B15R1.3179 CNC(=O)CCCSCCC1CCC1=O 62a_200016118888_100000741757 [0,1,0,1,0,0|2,0,0]=4 10287 B15R1.3179 COC(=O)CCCCCCN1CCC1C 269982a_100000755817_100009815986 [0,1,0,1,0,0|0,0,2]=4 10288 B15R1.3179 COC(=O)CCCCCCN1CCC1C 34a_100000755817_100009815986 [0,1,0,1,0,0|0,0,2]=4 10289 B15R1.3179 COC(=O)CCCCCOC1CCC1=O 34a_100000074720_100009892977 [0,1,0,1,0,0|1,0,0]=3 10290 B15R1.3179 COC(=O)CCCCCOC1CCC1=O 7a_100000074720_100009892977 [0,1,0,1,0,0|1,0,0]=3 10291 B15R1.3179 COC(=O)CCCCCSC1CCC1=O 62a_100009816466_100009892977 [0,1,0,1,0,0|1,0,0]=3 10292 B15R1.3179 COC(=O)CCCCCSC1CCC1=O 62a_100009892977_100009816466 [0,1,0,1,0,0|1,0,0]=3 10293 B15R1.3179 COC(=O)CCCSCCC1CCC1=O 62a_100011218270_200016118888 [0,1,0,1,0,0|1,0,0]=3 10294 B15R1.3179 COC(=O)CCCSCCC1CCC1=O 62a_200016118888_100011218270 [0,1,0,1,0,0|1,0,0]=3 10295 B15R1.3847 C=CC(O)CN1CCCCC1C(=O)NC 2230a_100011209383_100000730141 [0,1,0,1,0,0|2,0,0]=4 10296 B15R1.3847 C=CC(O)CN1CCCCC1C(=O)NC 34a_100011209383_100000730141 [0,1,0,1,0,0|2,0,0]=4 10297 B15R1.3847 C=CC(O)CN1CCCCC1C(=O)OC 2230a_100000734855_100000730141 [0,1,0,1,0,0|1,0,0]=3 10298 B15R1.3847 C=CC(O)CN1CCCCC1C(=O)OC 34a_100000734855_100000730141 [0,1,0,1,0,0|1,0,0]=3 10299 B15R1.3847 C=CC(O)CN1CCOCC1C(=O)OC 2230a_100000765174_100000730141 [0,1,0,1,0,0|2,0,0]=4 10300 B15R1.3847 C=CC(O)CN1CCOCC1C(=O)OC 34a_100000765174_100000730141 [0,1,0,1,0,0|2,0,0]=4 10301 B15R1.3853 C=CC(O)CN1CCC[C@@H]1CC(=O)OC 2230a_100025726698_100000730141 [0,1,0,1,0,0|1,0,0]=3 10302 B15R1.3853 C=CC(O)CN1CCC[C@@H]1CC(=O)OC 34a_100025726698_100000730141 [0,1,0,1,0,0|1,0,0]=3 10303 B15R1.1090 CNC(=O)CCSC1CCCCCC1=O 62a_100000243696_100000737683 [0,1,0,1,0,0|2,0,0]=4 10304 B15R1.1090 CNC(=O)CCSC1CCCCCC1=O 62a_100000737683_100000243696 [0,1,0,1,0,0|2,0,0]=4 10305 B15R1.1090 COC(=O)CCNC1CCCCNC1=O 2230a_100000698827_100000204255 [0,1,0,1,0,0|2,0,0]=4 10306 B15R1.1090 COC(=O)CCNC1CCCCNC1=O 34a_100000698827_100000742370 [0,1,0,1,0,0|2,0,0]=4 10307 B15R1.1090 COC(=O)CCSC1CCCCCC1=O 62a_100000204255_100000243696 [0,1,0,1,0,0|1,0,0]=3 10308 B15R1.1090 COC(=O)CCSC1CCCCCC1=O 62a_100000243696_100000204255 [0,1,0,1,0,0|1,0,0]=3 10309 B15R1.1090 COC(=O)CCSC1CCCCNC1=O 62a_100000204255_100000735217 [0,1,0,1,0,0|2,0,0]=4 10310 B15R1.1090 COC(=O)CCSC1CCCCNC1=O 62a_100000735217_100000204255 [0,1,0,1,0,0|2,0,0]=4 10311 B15R1.1090 COC(=O)OCSC1CCCCCC1=O 62a_100000243696_100000139417 [0,1,0,1,0,0|2,0,0]=4 10312 B15R1.3322 C=CCCCC(=O)N1CC[C@H]1C(=O)OC 11a_102516456887_100000766728 [0,1,0,1,0,0|1,0,1]=4 10313 B15R1.3322 C=CCCCC(=O)N1CC[C@H]1C(=O)OC 1626a_102516456887_100000766728 [0,1,0,1,0,0|1,0,1]=4 10314 B15R1.3322 C=CCCCC(=O)N1CC[C@H]1C(=O)OC 240690a_102516456887_100000766728 [0,1,0,1,0,0|1,0,1]=4 10315 B15R1.3322 C=CCCCC(=O)N1CC[C@H]1C(=O)OC 527a_102516456887_100000766728 [0,1,0,1,0,0|1,0,1]=4 10316 B15R1.3322 C=CCCCC(=O)[C@H]1CC[C@H]1C(=O)OC 1458a_100009908320_100000757094 [0,1,0,1,0,0|0,0,1]=3 10317 B15R1.3322 C=CCCNC(=O)[C@H]1CC[C@H]1C(=O)OC 11a_100015191253_100009908320 [0,1,0,1,0,0|1,0,1]=4 10318 B15R1.3322 C=CCCNC(=O)[C@H]1CC[C@H]1C(=O)OC 240690a_100015191253_100009908320 [0,1,0,1,0,0|1,0,1]=4 10319 B15R1.3322 C=COCCC(=O)[C@H]1CC[C@H]1C(=O)OC 1458a_100009908320_100000039644 [0,1,0,1,0,0|1,0,1]=4 10320 B15R1.11527 COC(=O)CCCCC(=O)C1CCC1=O 1458a_100000695723_100009892977 [0,1,0,1,0,0|1,0,1]=4 10321 B15R1.12309 COC(=O)CCCCN1CCCCCC1 2230a_100000185865_100000204269 [0,1,0,1,0,0|0,0,2]=4 10322 B15R1.12309 COC(=O)CCCCN1CCCCCC1 269982a_100000185865_100000204269 [0,1,0,1,0,0|0,0,2]=4 10323 B15R1.12309 COC(=O)CCCCN1CCCCCC1 34a_100000185865_100000204269 [0,1,0,1,0,0|0,0,2]=4 10324 B15R1.12309 COC(=O)CCCNC1CCCCCC1 2230a_100000210984_100011218270 [0,1,0,1,0,0|0,0,2]=4 10325 B15R1.12309 COC(=O)CCCNC1CCCCCC1 34a_100000210984_100000742333 [0,1,0,1,0,0|0,0,2]=4 10326 B15R1.12309 COC(=O)CCCOC1CCCCCC1 34a_100000210887_100000742333 [0,1,0,1,0,0|0,0,2]=4 10327 B15R1.12309 COC(=O)CCCOC1CCCCCC1 7a_100000210887_100011218270 [0,1,0,1,0,0|0,0,2]=4 10328 B15R1.12309 COC(=O)CCCSC1CCCCCC1 62a_100011217769_100011218270 [0,1,0,1,0,0|0,0,2]=4 10329 B15R1.12309 COC(=O)CCCSC1CCCCCC1 62a_100011218270_100011217769 [0,1,0,1,0,0|0,0,2]=4 10330 B15R1.12309 COC(=O)CCNCC1CCCCCC1 2230a_100015204231_100000204255 [0,1,0,1,0,0|0,0,2]=4 10331 B15R1.12309 COC(=O)CCNCC1CCCCCC1 34a_100015204231_100000742370 [0,1,0,1,0,0|0,0,2]=4 10332 B15R1.12309 COC(=O)CCOCC1CCCCCC1 34a_100000699130_100000742370 [0,1,0,1,0,0|0,0,2]=4 10333 B15R1.12309 COC(=O)CCOCC1CCCCCC1 7a_100000699130_100000204255 [0,1,0,1,0,0|0,0,2]=4 10334 B15R1.12309 COC(=O)CCSCC1CCCCCC1 62a_100000204255_200000696569 [0,1,0,1,0,0|0,0,2]=4 10335 B15R1.12309 COC(=O)CCSCC1CCCCCC1 62a_200000696569_100000204255 [0,1,0,1,0,0|0,0,2]=4 10336 B15R1.12309 COC(=O)CNCCC1CCCCCC1 2230a_100011532351_100000747449 [0,1,0,1,0,0|0,0,2]=4 10337 B15R1.12309 COC(=O)CNCCC1CCCCCC1 34a_100011532351_100000747449 [0,1,0,1,0,0|0,0,2]=4 10338 B15R1.123 C=C(C)CCNCC1CCCC(=O)N1C 2230a_200010383782_100000730704 [0,1,0,1,0,0|2,0,0]=4 10339 B15R1.123 C=C(C)CCNCC1CCCC(=O)N1C 34a_200010383782_100000730704 [0,1,0,1,0,0|2,0,0]=4 10340 B15R1.985 C=C(C)CCN1CCCCC1C(=O)NC 2230a_100011209383_100000730704 [0,1,0,1,0,0|2,0,0]=4 10341 B15R1.985 C=C(C)CCN1CCCCC1C(=O)NC 269982a_100011209383_100000730704 [0,1,0,1,0,0|2,0,0]=4 10342 B15R1.985 C=C(C)CCN1CCCCC1C(=O)NC 34a_100011209383_100000730704 [0,1,0,1,0,0|2,0,0]=4 10343 B15R1.985 C=C(C)CCN1CCCCC1C(=O)OC 2230a_100000734855_100000730704 [0,1,0,1,0,0|1,0,0]=3 10344 B15R1.985 C=C(C)CCN1CCCCC1C(=O)OC 269982a_100000734855_100000730704 [0,1,0,1,0,0|1,0,0]=3 10345 B15R1.985 C=C(C)CCN1CCCCC1C(=O)OC 34a_100000734855_100000730704 [0,1,0,1,0,0|1,0,0]=3 10346 B15R1.985 C=C(C)CCN1CCOCC1C(=O)OC 2230a_100000765174_100000730704 [0,1,0,1,0,0|2,0,0]=4 10347 B15R1.985 C=C(C)CCN1CCOCC1C(=O)OC 34a_100000765174_100000730704 [0,1,0,1,0,0|2,0,0]=4 10348 B15R1.985 C=C(C)COC1CCNCC1C(=O)OC 34a_200103168510_100000748629 [0,1,0,1,0,0|2,0,0]=4 10349 B15R1.985 C=C(C)CO[C@H]1CCCC[C@H]1C(=O)OC 34a_100015709673_100000748629 [0,1,0,1,0,0|1,0,0]=3 10350 B15R1.985 C=C(C)CO[C@H]1CCCC[C@H]1C(=O)OC 7a_100015709673_100000748629 [0,1,0,1,0,0|1,0,0]=3 10351 B15R1.985 C=C(F)COC1CCNCC1C(=O)OC 34a_200103168510_100009893438 [0,1,0,1,0,0|2,0,0]=4 10352 B15R1.985 C=C(F)CO[C@H]1CCCC[C@H]1C(=O)OC 34a_100015709673_100009893438 [0,1,0,1,0,0|1,0,0]=3 10353 B15R1.985 C=C(F)CO[C@H]1CCCC[C@H]1C(=O)OC 7a_100015709673_100000042424 [0,1,0,1,0,0|1,0,0]=3 10354 B15R1.985 COC(=O)C1CCCCN1CCC(=O)C 269982a_100000734855_100000053229 [0,1,0,1,0,0|1,0,1]=4 10355 B15R1.985 COC(=O)C1CCCCN1CCC(=O)N 2230a_100000734855_100000744528 [0,1,0,1,0,0|2,0,0]=4 10356 B15R1.985 COC(=O)C1CCCCN1CCC(=O)N 269982a_100000734855_100000744528 [0,1,0,1,0,0|2,0,0]=4 10357 B15R1.985 COC(=O)C1CCCCN1CCC(=O)N 34a_100000734855_100000731001 [0,1,0,1,0,0|2,0,0]=4 10358 B15R1.985 COC(=O)[C@@H]1CCCC[C@@H]1OCC(=O)N 34a_100015709673_100000187820 [0,1,0,1,0,0|2,0,0]=4 10359 B15R1.985 COC(=O)[C@@H]1CCCC[C@@H]1OCC(=O)N 7a_100015709673_100000187820 [0,1,0,1,0,0|2,0,0]=4 10360 B15R1.985 COC(=O)[C@@H]1CCCC[C@@H]1OCC(=O)[O-] 34a_100015709673_100020667443 [0,1,0,1,0,0|2,0,0]=4 10361 B15R1.997 C=C(C)CCOC1CCCC1C(=O)OC 34a_200000081814_100000730704 [0,1,0,1,0,0|1,0,0]=3 10362 B15R1.997 C=C(C)CCOC1CCCC1C(=O)OC 7a_200000081814_100000730704 [0,1,0,1,0,0|1,0,0]=3 10363 B15R1.997 COC(=O)C1CCCC1OCCC(=O)C 7a_200000081814_100000053229 [0,1,0,1,0,0|1,0,1]=4 10364 B15R1.997 COC(=O)C1CCCC1OCCC(=O)N 34a_200000081814_100000731001 [0,1,0,1,0,0|2,0,0]=4 10365 B15R1.997 COC(=O)C1CCCC1OCCC(=O)N 7a_200000081814_100000744528 [0,1,0,1,0,0|2,0,0]=4 10366 B15R1.997 COC(=O)[C@@H]1CCCN1CCCC(=O)C 269982a_100000752040_100011215641 [0,1,0,1,0,0|1,0,1]=4 10367 B15R1.997 COC(=O)[C@@H]1CCCN1CCCC(=O)N 269982a_100000752040_100102525003 [0,1,0,1,0,0|2,0,0]=4 10368 B15R1.1108 COC(=O)CCN1CCCCC1C(=O)N 2230a_100000181395_100000204255 [0,1,0,1,0,0|2,0,0]=4 10369 B15R1.1108 COC(=O)CCN1CCCCC1C(=O)N 269982a_100000181395_100000204255 [0,1,0,1,0,0|2,0,0]=4 10370 B15R1.1108 COC(=O)CCN1CCCCC1C(=O)N 34a_100000181395_100000742370 [0,1,0,1,0,0|2,0,0]=4 10371 B15R1.1108 COC(=O)CCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000204255 [0,1,0,1,0,0|2,0,0]=4 10372 B15R1.1108 COC(=O)CN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000747449 [0,1,0,1,0,0|2,0,0]=4 10373 B15R1.3181 COC(=O)CCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100011218270 [0,1,0,1,0,0|2,0,0]=4 10374 B15R1.3181 COC(=O)CCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011218270 [0,1,0,1,0,0|2,0,0]=4 10375 B15R1.3845 C=C(C)CN1CCOCC1CC(=O)OC 2230a_100000731486_100000748629 [0,1,0,1,0,0|2,0,0]=4 10376 B15R1.3845 C=C(C)CN1CCOCC1CC(=O)OC 34a_100000731486_100000748629 [0,1,0,1,0,0|2,0,0]=4 10377 B15R1.3845 C=C(F)CN1CCOCC1CC(=O)OC 2230a_100000731486_100009893438 [0,1,0,1,0,0|2,0,0]=4 10378 B15R1.3845 C=C(F)CN1CCOCC1CC(=O)OC 34a_100000731486_100009893438 [0,1,0,1,0,0|2,0,0]=4 10379 B15R1.3845 COC(=O)CN1CCCCC1CC(=O)N 2230a_100015184752_100000747449 [0,1,0,1,0,0|2,0,0]=4 10380 B15R1.3845 COC(=O)CN1CCCCC1CC(=O)N 269982a_100015184752_100000747449 [0,1,0,1,0,0|2,0,0]=4 10381 B15R1.3845 COC(=O)CN1CCCCC1CC(=O)N 34a_100015184752_100000747449 [0,1,0,1,0,0|2,0,0]=4 10382 B15R1.3852 C=C(C)CCN1CCC[C@@H]1CC(=O)OC 2230a_100025726698_100000730704 [0,1,0,1,0,0|1,0,0]=3 10383 B15R1.3852 C=C(C)CCN1CCC[C@@H]1CC(=O)OC 269982a_100025726698_100000730704 [0,1,0,1,0,0|1,0,0]=3 10384 B15R1.3852 C=C(C)CCN1CCC[C@@H]1CC(=O)OC 34a_100025726698_100000730704 [0,1,0,1,0,0|1,0,0]=3 10385 B15R1.3852 COC(=O)C[C@H]1CCCN1CCC(=O)C 269982a_100025726698_100000053229 [0,1,0,1,0,0|1,0,1]=4 10386 B15R1.3852 COC(=O)C[C@H]1CCCN1CCC(=O)N 2230a_100025726698_100000744528 [0,1,0,1,0,0|2,0,0]=4 10387 B15R1.3852 COC(=O)C[C@H]1CCCN1CCC(=O)N 269982a_100025726698_100000744528 [0,1,0,1,0,0|2,0,0]=4 10388 B15R1.3852 COC(=O)C[C@H]1CCCN1CCC(=O)N 34a_100025726698_100000731001 [0,1,0,1,0,0|2,0,0]=4 10389 B15R1.11360 COC(=O)C1CN1CCCCCC(=O)N 2230a_200009830135_100009817443 [0,1,0,1,0,0|2,0,0]=4 10390 B15R1.11398 COC(=O)CN1CCCCCC1C(=O)O 269956a_100000758484_100000747449 [0,1,0,1,0,0|2,0,0]=4 10391 B15R1.11441 COC(=O)CCCCN1CCC1C(=O)O 269956a_100000021838_100000204269 [0,1,0,1,0,0|2,0,0]=4 10392 B15R1.11631 COC(=O)CCCCCCCNC1CC1 34a_100000212008_100010004213 [0,1,0,1,0,0|0,0,2]=4 10393 B15R1.11631 COC(=O)CCCCCCCOC1CC1 34a_100011022521_100000211595 [0,1,0,1,0,0|0,0,2]=4 10394 B15R1.11631 COC(=O)CCCCCCCSC1CC1 62a_100010004213_100000211595 [0,1,0,1,0,0|0,0,2]=4 10395 B15R1.11631 COC(=O)CCCCCCNCC1CC1 2230a_100000735609_100009815986 [0,1,0,1,0,0|0,0,2]=4 10396 B15R1.11631 COC(=O)CCCCCCNCC1CC1 34a_100000735609_100009815986 [0,1,0,1,0,0|0,0,2]=4 10397 B15R1.11631 COC(=O)CCCCCCOCC1CC1 34a_100000211283_100009815986 [0,1,0,1,0,0|0,0,2]=4 10398 B15R1.11631 COC(=O)CCCCCCOCC1CC1 34a_100009863599_100000742324 [0,1,0,1,0,0|0,0,2]=4 10399 B15R1.11631 COC(=O)CCCCCCOCC1CC1 7a_100009863599_100000742324 [0,1,0,1,0,0|0,0,2]=4 10400 B15R1.11631 COC(=O)CCCCCCOCC1CO1 34a_100009863599_102125554688 [0,1,0,1,0,0|1,0,1]=4 10401 B15R1.11631 COC(=O)CCCCCCOCC1CO1 7a_100009863599_102125554688 [0,1,0,1,0,0|1,0,1]=4 10402 B15R1.11631 COC(=O)CCCCCCOCC1CS1 7a_100009863599_100000031435 [0,1,0,1,0,0|1,0,1]=4 10403 B15R1.11631 COC(=O)CCCCCCOC[C@@H]1CO1 34a_100000757423_100009815986 [0,1,0,1,0,0|1,0,1]=4 10404 B15R1.11631 COC(=O)CCCCCCOC[C@@H]1CO1 7a_100009863599_100000745022 [0,1,0,1,0,0|1,0,1]=4 10405 B15R1.11631 COC(=O)CCCCCCSCC1CC1 62a_100000756562_100009815986 [0,1,0,1,0,0|0,0,2]=4 10406 B15R1.11631 COC(=O)CCCCCCSCC1CC1 62a_100009815986_100000742324 [0,1,0,1,0,0|0,0,2]=4 10407 B15R1.11631 COC(=O)CCCCCCSCC1CO1 62a_100009815986_102125554688 [0,1,0,1,0,0|1,0,1]=4 10408 B15R1.11631 COC(=O)CCCCCCSCC1CO1 62a_102125554688_100009815986 [0,1,0,1,0,0|1,0,1]=4 10409 B15R1.11631 COC(=O)CCCCCCSCC1CS1 62a_100000031435_100009815986 [0,1,0,1,0,0|1,0,1]=4 10410 B15R1.11631 COC(=O)CCCCCCSCC1CS1 62a_100009815986_100000031435 [0,1,0,1,0,0|1,0,1]=4 10411 B15R1.11631 COC(=O)CCCCCCSC[C@@H]1CO1 62a_100000745022_100009815986 [0,1,0,1,0,0|1,0,1]=4 10412 B15R1.11631 COC(=O)CCCCCCSC[C@@H]1CO1 62a_100009815986_100000745022 [0,1,0,1,0,0|1,0,1]=4 10413 B15R1.11631 COC(=O)CCCCCNCCC1CC1 34a_100000764129_100009816466 [0,1,0,1,0,0|0,0,2]=4 10414 B15R1.11631 COC(=O)CCCCCOCCC1CC1 34a_100000074720_100000694398 [0,1,0,1,0,0|0,0,2]=4 10415 B15R1.11631 COC(=O)CCCCCOCCC1CC1 34a_100000754188_100009816466 [0,1,0,1,0,0|0,0,2]=4 10416 B15R1.11631 COC(=O)CCCCCOCCC1CC1 7a_100000074720_100000764125 [0,1,0,1,0,0|0,0,2]=4 10417 B15R1.11631 COC(=O)CCCCCOCCC1CC1 7a_100000754188_100009816466 [0,1,0,1,0,0|0,0,2]=4 10418 B15R1.11631 COC(=O)CCCCCOCCC1CO1 34a_100000074720_100000732470 [0,1,0,1,0,0|1,0,1]=4 10419 B15R1.11631 COC(=O)CCCCCOCCC1CO1 7a_100000074720_100000732470 [0,1,0,1,0,0|1,0,1]=4 10420 B15R1.11631 COC(=O)CCCCCOCC[C@@H]1CO1 34a_100009820653_100009816466 [0,1,0,1,0,0|1,0,1]=4 10421 B15R1.11631 COC(=O)CCCCCSCCC1CC1 62a_100000764125_100009816466 [0,1,0,1,0,0|0,0,2]=4 10422 B15R1.11631 COC(=O)CCCCCSCCC1CC1 62a_100009816466_100000764125 [0,1,0,1,0,0|0,0,2]=4 10423 B15R1.11631 COC(=O)CCCCCSCCC1CO1 62a_100000732470_100009816466 [0,1,0,1,0,0|1,0,1]=4 10424 B15R1.11631 COC(=O)CCCCCSCCC1CO1 62a_100009816466_100000732470 [0,1,0,1,0,0|1,0,1]=4 10425 B15R1.11631 COC(=O)CCCCOCCCC1CO1 34a_100000059025_100000733510 [0,1,0,1,0,0|1,0,1]=4 10426 B15R1.11631 COC(=O)CCCCOCCCC1CO1 7a_100000059025_100000733510 [0,1,0,1,0,0|1,0,1]=4 10427 B15R1.11631 COC(=O)CCCCSCCCC1CO1 62a_100000204269_100000733510 [0,1,0,1,0,0|1,0,1]=4 10428 B15R1.11631 COC(=O)CCCCSCCCC1CO1 62a_100000733510_100000204269 [0,1,0,1,0,0|1,0,1]=4 10429 B15R1.11735 COC(=O)[C@@H]1CCN1CCCCC(=O)C 269982a_102516456887_100000735457 [0,1,0,1,0,0|1,0,1]=4 10430 B15R1.12 C=CCCCCCCN1CC=C(CC1)C 2230a_100000693516_100011215473 [0,1,0,1,0,0|2,0,0]=4 10431 B15R1.12 C=CCCCCCCN1CC=C(CC1)C 269982a_100000693516_100011215473 [0,1,0,1,0,0|2,0,0]=4 10432 B15R1.12 C=CCCCCCCN1CC=C(CC1)C 34a_100000693516_100011215473 [0,1,0,1,0,0|2,0,0]=4 10433 B15R1.12 C=CCCCCCCN1CCC(=C)CC1 2230a_100000752442_100011215473 [0,1,0,1,0,0|2,0,0]=4 10434 B15R1.12 C=CCCCCCCN1CCC(=C)CC1 269982a_100000752442_100011215473 [0,1,0,1,0,0|2,0,0]=4 10435 B15R1.12 C=CCCCCCCN1CCC(=C)CC1 34a_100000752442_100011215473 [0,1,0,1,0,0|2,0,0]=4 10436 B15R1.12 C=CCCCCCCN1CCS(=O)CC1 2230a_100000752083_100011215473 [0,1,0,1,0,0|2,0,0]=4 10437 B15R1.12 C=CCCCCCCN1CCS(=O)CC1 269982a_100000752083_100011215473 [0,1,0,1,0,0|2,0,0]=4 10438 B15R1.12 C=CCCCCCNC1CCC(=O)NC1 2230a_100000748762_100000700193 [0,1,0,1,0,0|1,0,0]=3 10439 B15R1.12 C=CCCCCCNC1CCC(=O)NC1 34a_100000748762_100000700193 [0,1,0,1,0,0|1,0,0]=3 10440 B15R1.12 C=CCCCCCOC1CCC(=O)CC1 34a_100000764474_100000700193 [0,1,0,1,0,0|1,0,0]=3 10441 B15R1.12 C=CCCCCCOC1CCC(=O)CC1 7a_100000764474_100000700193 [0,1,0,1,0,0|1,0,0]=3 10442 B15R1.12 C=CCCCCCOC1CCC(=O)NC1 34a_100000079199_100000700193 [0,1,0,1,0,0|1,0,0]=3 10443 B15R1.12 C=CCCCCCOC1CNC(=O)NC1 34a_100000080929_100000700193 [0,1,0,1,0,0|2,0,0]=4 10444 B15R1.12 C=CCCCCOCC1CCC(=C)CC1 34a_100000074039_100011215482 [0,1,0,1,0,0|2,0,0]=4 10445 B15R1.12 C=CCCCCOCC1CCC(=O)CC1 34a_100000062911_100011215482 [0,1,0,1,0,0|1,0,0]=3 10446 B15R1.12 O=CCCCCCNC1CCC(=O)NC1 2230a_100000748762_100000139337 [0,1,0,1,0,0|2,0,0]=4 10447 B15R1.12 O=CCCCCCOC1CCC(=O)CC1 7a_100000764474_100000139337 [0,1,0,1,0,0|2,0,0]=4 10448 B15R1.22 C=CCCCCCN1CCNC(=O)C1C 2230a_100000750721_100000700193 [0,1,0,1,0,0|2,0,0]=4 10449 B15R1.22 C=CCCCCCN1CCNC(=O)C1C 269982a_100000750721_100000700193 [0,1,0,1,0,0|2,0,0]=4 10450 B15R1.22 C=CCCCCCN1CCNC(=O)C1C 34a_100000750721_100000700193 [0,1,0,1,0,0|2,0,0]=4 10451 B15R1.22 C=CCCCNCC1CCCC(=O)N1C 2230a_200010383782_100011713584 [0,1,0,1,0,0|1,0,0]=3 10452 B15R1.22 C=CCCCNCC1CCCC(=O)N1C 34a_200010383782_100000757094 [0,1,0,1,0,0|1,0,0]=3 10453 B15R1.22 C=COCCNCC1CCCC(=O)N1C 2230a_200010383782_100000039644 [0,1,0,1,0,0|2,0,0]=4 10454 B15R1.22 C=COCCNCC1CCCC(=O)N1C 34a_200010383782_100000039644 [0,1,0,1,0,0|2,0,0]=4 10455 B15R1.22 CN1C(=O)CCCC1CNCCCC=O 2230a_200010383782_200011292268 [0,1,0,1,0,0|2,0,0]=4 10456 B15R1.34 C=CCCCCCCCN1CNC(=O)C1 2230a_200000708111_100012355270 [0,1,0,1,0,0|1,0,0]=3 10457 B15R1.34 C=CCCCCCCNC1CNC(=O)C1 2230a_100000697751_100011215473 [0,1,0,1,0,0|1,0,0]=3 10458 B15R1.34 C=CCCCCCCOC1CCC(=O)C1 34a_100012614533_100011215473 [0,1,0,1,0,0|1,0,0]=3 10459 B15R1.34 C=CCCCCCCOC1CNC(=O)C1 34a_100000690082_100011215473 [0,1,0,1,0,0|1,0,0]=3 10460 B15R1.34 C=CCCCCCCOC1COC(=O)O1 34a_200011216477_100000032252 [0,1,0,1,0,0|1,0,0]=3 10461 B15R1.34 C=CCCCCCCSC1COC(=O)O1 62a_100011215473_100000032252 [0,1,0,1,0,0|1,0,0]=3 10462 B15R1.34 C=CCCCCCNCC1CNC(=O)C1 2230a_100016993742_100000700193 [0,1,0,1,0,0|1,0,0]=3 10463 B15R1.34 C=CCCCCCNCC1CNC(=O)C1 34a_100016993742_100000700193 [0,1,0,1,0,0|1,0,0]=3 10464 B15R1.34 C=CCCCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000700193 [0,1,0,1,0,0|2,0,0]=4 10465 B15R1.34 C=CCCCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000700193 [0,1,0,1,0,0|2,0,0]=4 10466 B15R1.34 C=CCCCCCOCC1=CC(=O)OC1 34a_100011216702_100000716558 [0,1,0,1,0,0|0,0,2]=4 10467 B15R1.34 C=CCCCCCOCC1CCC(=O)N1 34a_100000737831_100000700193 [0,1,0,1,0,0|2,0,0]=4 10468 B15R1.34 C=CCCCCCOCC1CNC(=O)C1 34a_100016041077_100000700193 [0,1,0,1,0,0|1,0,0]=3 10469 B15R1.34 C=CCCCCCOCC1CNC(=O)O1 34a_100011216702_100000181169 [0,1,0,1,0,0|2,0,0]=4 10470 B15R1.34 C=CCCCCCOCC1CNC(=O)O1 34a_100011315639_100000700193 [0,1,0,1,0,0|2,0,0]=4 10471 B15R1.34 C=CCCCCCOCC1CNC(=O)O1 7a_100011216702_100000181169 [0,1,0,1,0,0|2,0,0]=4 10472 B15R1.34 C=CCCCCCOCC1COC(=O)O1 34a_100011216702_100000073702 [0,1,0,1,0,0|1,0,0]=3 10473 B15R1.34 C=CCCCCCOC[C@@H]1CCC(=O)N1 7a_100011216702_100015189358 [0,1,0,1,0,0|2,0,0]=4 10474 B15R1.34 C=CCCCCCOC[C@H]1COC(=O)N1 34a_100011216702_100015307671 [0,1,0,1,0,0|1,0,0]=3 10475 B15R1.34 C=CCCCCCOC[C@H]1COC(=O)N1 7a_100011216702_100015307671 [0,1,0,1,0,0|1,0,0]=3 10476 B15R1.34 C=CCCCCCSCC1=CC(=O)OC1 62a_100000700193_100000716558 [0,1,0,1,0,0|0,0,2]=4 10477 B15R1.34 C=CCCCCCSCC1=CC(=O)OC1 62a_100000716558_100000700193 [0,1,0,1,0,0|0,0,2]=4 10478 B15R1.34 C=CCCCCCSCC1CNC(=O)O1 62a_100000181169_100000700193 [0,1,0,1,0,0|2,0,0]=4 10479 B15R1.34 C=CCCCCCSCC1CNC(=O)O1 62a_100000700193_100000181169 [0,1,0,1,0,0|2,0,0]=4 10480 B15R1.34 C=CCCCCCSCC1COC(=O)O1 62a_100000073702_100000700193 [0,1,0,1,0,0|1,0,0]=3 10481 B15R1.34 C=CCCCCCSCC1COC(=O)O1 62a_100000700193_100000073702 [0,1,0,1,0,0|1,0,0]=3 10482 B15R1.34 C=CCCCCCSC[C@@H]1CCC(=O)N1 62a_100000700193_100015189358 [0,1,0,1,0,0|2,0,0]=4 10483 B15R1.34 C=CCCCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000700193 [0,1,0,1,0,0|2,0,0]=4 10484 B15R1.34 C=CCCCCCSC[C@H]1COC(=O)N1 62a_100000700193_100015307671 [0,1,0,1,0,0|1,0,0]=3 10485 B15R1.34 C=CCCCCCSC[C@H]1COC(=O)N1 62a_100015307671_100000700193 [0,1,0,1,0,0|1,0,0]=3 10486 B15R1.34 C=CCCCCOCCC1COS(=O)O1 7a_100000766645_100009840081 [0,1,0,1,0,0|2,0,0]=4 10487 B15R1.34 C=CCCCCSCCC1COS(=O)O1 62a_100011215482_100009840081 [0,1,0,1,0,0|2,0,0]=4 10488 B15R1.34 C=COCCCCOCC1COC(=O)O1 34a_100000031558_100000073702 [0,1,0,1,0,0|2,0,0]=4 10489 B15R1.34 C=COCCCCOC[C@H]1COC(=O)N1 34a_100000031558_100015307671 [0,1,0,1,0,0|2,0,0]=4 10490 B15R1.34 C=COCCCCOC[C@H]1COC(=O)N1 7a_100000031558_100015307671 [0,1,0,1,0,0|2,0,0]=4 10491 B15R1.34 O=CCCCCCNCC1CNC(=O)C1 2230a_100016993742_100000139337 [0,1,0,1,0,0|2,0,0]=4 10492 B15R1.34 O=CCCCCCSCC1COC(=O)O1 62a_100000073702_100000139337 [0,1,0,1,0,0|2,0,0]=4 10493 B15R1.34 O=CCCCCCSCC1COC(=O)O1 62a_100000139337_100000073702 [0,1,0,1,0,0|2,0,0]=4 10494 B15R1.34 O=CCCCCCSC[C@H]1COC(=O)N1 62a_100000139337_100015307671 [0,1,0,1,0,0|2,0,0]=4 10495 B15R1.34 O=CCCCCCSC[C@H]1COC(=O)N1 62a_100015307671_100000139337 [0,1,0,1,0,0|2,0,0]=4 10496 B15R1.85 C#CC1CCCCN1CCCC(=O)OC 2230a_200020621307_100011218270 [0,1,0,1,0,0|0,0,2]=4 10497 B15R1.85 C#CC1CCCCN1CCCC(=O)OC 269982a_200020621307_100011218270 [0,1,0,1,0,0|0,0,2]=4 10498 B15R1.85 C#CC1CCCCN1CCCC(=O)OC 34a_200020621307_100000742333 [0,1,0,1,0,0|0,0,2]=4 10499 B15R1.85 CCC1CCCCC1OCCC(=O)OC 34a_100000210738_100000742370 [0,1,0,1,0,0|0,0,2]=4 10500 B15R1.85 CCC1CCCCC1OCCC(=O)OC 7a_100000210738_100000204255 [0,1,0,1,0,0|0,0,2]=4 10501 B15R1.85 CCC1CCCCN1CCCC(=O)OC 2230a_100000210034_100011218270 [0,1,0,1,0,0|0,0,2]=4 10502 B15R1.85 CCC1CCCCN1CCCC(=O)OC 269982a_100000210034_100011218270 [0,1,0,1,0,0|0,0,2]=4 10503 B15R1.85 CCC1CCCCN1CCCC(=O)OC 34a_100000210034_100000742333 [0,1,0,1,0,0|0,0,2]=4 10504 B15R1.85 CN[C@@H]1CCCC[C@H]1OCCC(=O)OC 34a_100000708425_100000742370 [0,1,0,1,0,0|1,0,1]=4 10505 B15R1.85 COC(=O)CCCN1CCCCC1C#N 34a_100016989756_100000742333 [0,1,0,1,0,0|1,0,1]=4 10506 B15R1.85 COC(=O)CCCN1CCCCC1CO 2230a_100000210821_100011218270 [0,1,0,1,0,0|1,0,1]=4 10507 B15R1.85 COC(=O)CCCN1CCCCC1CO 269982a_100000210821_100011218270 [0,1,0,1,0,0|1,0,1]=4 10508 B15R1.85 COC(=O)CCCN1CCCCC1CO 34a_100000210821_100000742333 [0,1,0,1,0,0|1,0,1]=4 10509 B15R1.85 COC(=O)CCNC1CCCCC1OC 34a_100011208099_100000742370 [0,1,0,1,0,0|1,0,1]=4 10510 B15R1.85 COC(=O)CCOC1CCCCC1CN 34a_100011216029_100000742370 [0,1,0,1,0,0|1,0,1]=4 10511 B15R1.85 COC(=O)CCO[C@H]1CCCC[C@@H]1OC 34a_200009815850_100000742370 [0,1,0,1,0,0|1,0,1]=4 10512 B15R1.85 COC(=O)CCO[C@H]1CCCC[C@@H]1OC 7a_200009815850_100000204255 [0,1,0,1,0,0|1,0,1]=4 10513 B15R1.229 C=CCCCCCCCNC[C@@H]1CCO1 2230a_100020831831_100012355270 [0,1,0,1,0,0|1,0,1]=4 10514 B15R1.229 C=CCCCCCCCNC[C@@H]1CCO1 34a_100020831831_100012355270 [0,1,0,1,0,0|1,0,1]=4 10515 B15R1.229 C=CCCCCCCCOCC1CCO1 34a_100000039022_100012355270 [0,1,0,1,0,0|1,0,1]=4 10516 B15R1.229 C=CCCCCCCCOCC1CCO1 34a_100000730831_100000103362 [0,1,0,1,0,0|1,0,1]=4 10517 B15R1.229 C=CCCCCCCCOCC1CCO1 7a_100000730831_100000103362 [0,1,0,1,0,0|1,0,1]=4 10518 B15R1.229 C=CCCCCCCCSCC1CCO1 62a_100000103362_100012355270 [0,1,0,1,0,0|1,0,1]=4 10519 B15R1.229 C=CCCCCCCCSCC1CCO1 62a_100012355270_100000103362 [0,1,0,1,0,0|1,0,1]=4 10520 B15R1.251 C#CCCCCN1CCC[C@H]1C(=O)OC 2230a_100000752040_100010269958 [0,1,0,1,0,0|0,0,2]=4 10521 B15R1.251 C#CCCCCN1CCC[C@H]1C(=O)OC 269982a_100000752040_100010269958 [0,1,0,1,0,0|0,0,2]=4 10522 B15R1.251 C#CCCCOC1CCCC1C(=O)OC 34a_200000081814_100000695029 [0,1,0,1,0,0|0,0,2]=4 10523 B15R1.251 C#CCCCOC1CCCC1C(=O)OC 7a_200000081814_100011215417 [0,1,0,1,0,0|0,0,2]=4 10524 B15R1.251 C=CCCCCN1CCC[C@H]1C(=O)NC 2230a_100015185040_100011215482 [0,1,0,1,0,0|1,0,0]=3 10525 B15R1.251 C=CCCCCN1CCC[C@H]1C(=O)NC 269982a_100015185040_100011215482 [0,1,0,1,0,0|1,0,0]=3 10526 B15R1.251 C=CCCCCN1CCC[C@H]1C(=O)NC 34a_100015185040_100011215482 [0,1,0,1,0,0|1,0,0]=3 10527 B15R1.251 C=CCCCCN1CCC[C@H]1C(=O)OC 2230a_100000752040_100011215482 [0,1,0,1,0,0|0,0,0]=2 10528 B15R1.251 C=CCCCCN1CCC[C@H]1C(=O)OC 269982a_100000752040_100011215482 [0,1,0,1,0,0|0,0,0]=2 10529 B15R1.251 C=CCCCCN1CCSC1C(=O)OC 2230a_100015296106_100011215482 [0,1,0,1,0,0|1,0,0]=3 10530 B15R1.251 C=CCCCCN1CCSC1C(=O)OC 269982a_100015296106_100011215482 [0,1,0,1,0,0|1,0,0]=3 10531 B15R1.251 C=CCCCCN1CSCC1C(=O)OC 269982a_200000724679_100011215482 [0,1,0,1,0,0|1,0,0]=3 10532 B15R1.251 C=CCCCOC1CCCC1C(=O)OC 34a_200000081814_100000757094 [0,1,0,1,0,0|0,0,0]=2 10533 B15R1.251 C=CCCCOC1CCCC1C(=O)OC 7a_200000081814_100000757094 [0,1,0,1,0,0|0,0,0]=2 10534 B15R1.251 C=COCCOC1CCCC1C(=O)OC 34a_200000081814_100000039644 [0,1,0,1,0,0|1,0,0]=3 10535 B15R1.251 C=COCCOC1CCCC1C(=O)OC 7a_200000081814_100000039644 [0,1,0,1,0,0|1,0,0]=3 10536 B15R1.251 CCCCCCN1CCC[C@H]1C(=O)OC 2230a_100000752040_100000210314 [0,1,0,1,0,0|0,0,2]=4 10537 B15R1.251 CCCCCCN1CCC[C@H]1C(=O)OC 269982a_100000752040_100000210757 [0,1,0,1,0,0|0,0,2]=4 10538 B15R1.251 CCCCCOC1CCCC1C(=O)OC 34a_200000081814_100000718602 [0,1,0,1,0,0|0,0,2]=4 10539 B15R1.251 CCCCCOC1CCCC1C(=O)OC 7a_200000081814_100000210326 [0,1,0,1,0,0|0,0,2]=4 10540 B15R1.251 CNC(=O)[C@@H]1CCCN1CCCCC=O 2230a_100015185040_100000139335 [0,1,0,1,0,0|2,0,0]=4 10541 B15R1.251 CNC(=O)[C@@H]1CCCN1CCCCC=O 269982a_100015185040_100000139335 [0,1,0,1,0,0|2,0,0]=4 10542 B15R1.251 COC(=O)C1CCCC1OCCCC#N 7a_200000081814_100000687738 [0,1,0,1,0,0|1,0,1]=4 10543 B15R1.251 COC(=O)C1CCCC1OCCCC=O 7a_200000081814_200011292268 [0,1,0,1,0,0|1,0,0]=3 10544 B15R1.251 COC(=O)C1CCCC1OCCCCF 34a_200000081814_100000729493 [0,1,0,1,0,0|1,0,1]=4 10545 B15R1.251 COC(=O)C1CCCC1OCCCCF 7a_200000081814_100000729493 [0,1,0,1,0,0|1,0,1]=4 10546 B15R1.251 COC(=O)C1CCCC1OCCCCO 34a_200000081814_100011216708 [0,1,0,1,0,0|1,0,1]=4 10547 B15R1.251 COC(=O)C1CCCC1OCCCCO 7a_200000081814_100000210776 [0,1,0,1,0,0|1,0,1]=4 10548 B15R1.251 COC(=O)C1CSCN1CCCCC=O 269982a_200000724679_100000139335 [0,1,0,1,0,0|2,0,0]=4 10549 B15R1.251 COC(=O)C1SCCN1CCCCC=O 2230a_100015296106_100000139335 [0,1,0,1,0,0|2,0,0]=4 10550 B15R1.251 COC(=O)C1SCCN1CCCCC=O 269982a_100015296106_100000139335 [0,1,0,1,0,0|2,0,0]=4 10551 B15R1.251 COC(=O)[C@@H]1CCCN1CCCCC#N 2230a_100000752040_100000211819 [0,1,0,1,0,0|1,0,1]=4 10552 B15R1.251 COC(=O)[C@@H]1CCCN1CCCCC#N 269982a_100000752040_100011219923 [0,1,0,1,0,0|1,0,1]=4 10553 B15R1.251 COC(=O)[C@@H]1CCCN1CCCCC=O 2230a_100000752040_100000139335 [0,1,0,1,0,0|1,0,0]=3 10554 B15R1.251 COC(=O)[C@@H]1CCCN1CCCCC=O 269982a_100000752040_100000139335 [0,1,0,1,0,0|1,0,0]=3 10555 B15R1.251 COC(=O)[C@@H]1CCCN1CCCCCF 2230a_100000752040_100000729378 [0,1,0,1,0,0|1,0,1]=4 10556 B15R1.251 COC(=O)[C@@H]1CCCN1CCCCCF 269982a_100000752040_100000729378 [0,1,0,1,0,0|1,0,1]=4 10557 B15R1.251 COC(=O)[C@@H]1CCCN1CCCCCO 2230a_100000752040_100000746330 [0,1,0,1,0,0|1,0,1]=4 10558 B15R1.251 COC(=O)[C@@H]1CCCN1CCCCCO 269982a_100000752040_100000746330 [0,1,0,1,0,0|1,0,1]=4 10559 B15R1.251 COCCCCN1CCC[C@H]1C(=O)OC 2230a_100000752040_100000730899 [0,1,0,1,0,0|1,0,1]=4 10560 B15R1.251 COCCCCN1CCC[C@H]1C(=O)OC 269982a_100000752040_100000730899 [0,1,0,1,0,0|1,0,1]=4 10561 B15R1.251 COCCCOC1CCCC1C(=O)OC 34a_200000081814_100000740836 [0,1,0,1,0,0|1,0,1]=4 10562 B15R1.251 COCCCOC1CCCC1C(=O)OC 7a_200000081814_100000740836 [0,1,0,1,0,0|1,0,1]=4 10563 B15R1.273 C=CCC1CCCCC1NCC(=O)NC 269862a_100000693194_100011214939 [0,1,0,1,0,0|1,0,0]=3 10564 B15R1.273 C=CCC1CCCCC1NCC(=O)NC 270004a_100000693194_100011214939 [0,1,0,1,0,0|1,0,0]=3 10565 B15R1.273 C=CCC1CCCCC1NC[C@@H](C)OC 269862a_100020591295_100011214939 [0,1,0,1,0,0|1,0,1]=4 10566 B15R1.273 C=CCC1CCCCC1NC[C@@H](C)OC 270004a_100020591295_100011214939 [0,1,0,1,0,0|1,0,1]=4 10567 B15R1.273 CCCC1CCCCC1OCC(=O)OC 34a_100011217265_100000747449 [0,1,0,1,0,0|0,0,2]=4 10568 B15R1.273 CCCC1CCCCC1OCC(=O)OC 7a_100011217265_100000747449 [0,1,0,1,0,0|0,0,2]=4 10569 B15R1.273 CCCC1CCCCN1CCC(=O)OC 2230a_100000701414_100000204255 [0,1,0,1,0,0|0,0,2]=4 10570 B15R1.273 CCCC1CCCCN1CCC(=O)OC 269982a_100000701414_100000204255 [0,1,0,1,0,0|0,0,2]=4 10571 B15R1.273 CCCC1CCCCN1CCC(=O)OC 34a_100000701414_100000742370 [0,1,0,1,0,0|0,0,2]=4 10572 B15R1.273 COC(=O)CCN1CCCCC1CC#N 2230a_100000133382_100000204255 [0,1,0,1,0,0|1,0,1]=4 10573 B15R1.273 COC(=O)CCN1CCCCC1CC#N 34a_100000133382_100000742370 [0,1,0,1,0,0|1,0,1]=4 10574 B15R1.273 COC(=O)CCN1CCCCC1CCO 2230a_100000211664_100000204255 [0,1,0,1,0,0|1,0,1]=4 10575 B15R1.273 COC(=O)CCN1CCCCC1CCO 269982a_100000211664_100000204255 [0,1,0,1,0,0|1,0,1]=4 10576 B15R1.273 COC(=O)CCN1CCCCC1CCO 34a_100000211664_100000742370 [0,1,0,1,0,0|1,0,1]=4 10577 B15R1.273 COCC1CCCCN1CCC(=O)OC 2230a_100015184032_100000204255 [0,1,0,1,0,0|1,0,1]=4 10578 B15R1.273 COCC1CCCCN1CCC(=O)OC 269982a_100015184032_100000204255 [0,1,0,1,0,0|1,0,1]=4 10579 B15R1.273 COCC1CCCCN1CCC(=O)OC 34a_100015184032_100000742370 [0,1,0,1,0,0|1,0,1]=4 10580 B15R1.605 COC[C@@H]1CCCN1CCCC(=O)OC 2230a_100020646714_100011218270 [0,1,0,1,0,0|1,0,1]=4 10581 B15R1.605 COC[C@@H]1CCCN1CCCC(=O)OC 269982a_100020646714_100011218270 [0,1,0,1,0,0|1,0,1]=4 10582 B15R1.605 COC[C@@H]1CCCN1CCCC(=O)OC 34a_100020646714_100000742333 [0,1,0,1,0,0|1,0,1]=4 10583 B15R1.1052 C/C=C/CN1CCOCC1CC(=O)OC 34a_100000731486_100102629194 [0,1,0,1,0,0|2,0,0]=4 10584 B15R1.1052 C=CCCN1CCOCC1CC(=O)OC 2230a_100000731486_100000754431 [0,1,0,1,0,0|1,0,0]=3 10585 B15R1.1052 C=CCCN1CCOCC1CC(=O)OC 34a_100000731486_100000754431 [0,1,0,1,0,0|1,0,0]=3 10586 B15R1.1052 CC=CCN1CCOCC1CC(=O)OC 2230a_100000731486_100000070051 [0,1,0,1,0,0|2,0,0]=4 10587 B15R1.1052 CC=CCN1CCOCC1CC(=O)OC 34a_100000731486_100000070051 [0,1,0,1,0,0|2,0,0]=4 10588 B15R1.1052 COC(=O)CN1CCCCC1CCCO 2230a_100011934581_100000747449 [0,1,0,1,0,0|1,0,1]=4 10589 B15R1.1052 COC(=O)CN1CCCCC1CCCO 269982a_100011934581_100000747449 [0,1,0,1,0,0|1,0,1]=4 10590 B15R1.1052 COC(=O)CN1CCCCC1CCCO 34a_100011934581_100000747449 [0,1,0,1,0,0|1,0,1]=4 10591 B15R1.1052 COCCC1CCCCN1CC(=O)OC 2230a_100015186528_100000747449 [0,1,0,1,0,0|1,0,1]=4 10592 B15R1.1052 COCCC1CCCCN1CC(=O)OC 269982a_100015186528_100000747449 [0,1,0,1,0,0|1,0,1]=4 10593 B15R1.1052 COCCC1CCCCN1CC(=O)OC 34a_100015186528_100000747449 [0,1,0,1,0,0|1,0,1]=4 10594 B15R1.1191 C#CCCCN1CCCCC1C(=O)OC 2230a_100000734855_100000731252 [0,1,0,1,0,0|0,0,2]=4 10595 B15R1.1191 C#CCCCN1CCCCC1C(=O)OC 269982a_100000734855_100011215417 [0,1,0,1,0,0|0,0,2]=4 10596 B15R1.1191 C#CCCCN1CCCCC1C(=O)OC 34a_100000734855_100000695029 [0,1,0,1,0,0|0,0,2]=4 10597 B15R1.1191 C#CCCO[C@H]1CCCC[C@H]1C(=O)OC 34a_100015709673_100000688953 [0,1,0,1,0,0|0,0,2]=4 10598 B15R1.1191 C#CCCO[C@H]1CCCC[C@H]1C(=O)OC 7a_100015709673_100000688953 [0,1,0,1,0,0|0,0,2]=4 10599 B15R1.1191 C/C=C/COC1CCNCC1C(=O)OC 34a_200103168510_100102629194 [0,1,0,1,0,0|2,0,0]=4 10600 B15R1.1191 C/C=C/CO[C@H]1CCCC[C@H]1C(=O)OC 34a_100015709673_100102629194 [0,1,0,1,0,0|1,0,0]=3 10601 B15R1.1191 C/C=C/CO[C@H]1CCCC[C@H]1C(=O)OC 7a_100015709673_100102629194 [0,1,0,1,0,0|1,0,0]=3 10602 B15R1.1191 C=CCCCN1CCCCC1C(=O)NC 2230a_100011209383_100011713584 [0,1,0,1,0,0|1,0,0]=3 10603 B15R1.1191 C=CCCCN1CCCCC1C(=O)NC 269982a_100011209383_100000757094 [0,1,0,1,0,0|1,0,0]=3 10604 B15R1.1191 C=CCCCN1CCCCC1C(=O)NC 34a_100011209383_100000757094 [0,1,0,1,0,0|1,0,0]=3 10605 B15R1.1191 C=CCCCN1CCCCC1C(=O)OC 2230a_100000734855_100011713584 [0,1,0,1,0,0|0,0,0]=2 10606 B15R1.1191 C=CCCCN1CCCCC1C(=O)OC 269982a_100000734855_100000757094 [0,1,0,1,0,0|0,0,0]=2 10607 B15R1.1191 C=CCCCN1CCCCC1C(=O)OC 34a_100000734855_100000757094 [0,1,0,1,0,0|0,0,0]=2 10608 B15R1.1191 C=CCCCN1CCOCC1C(=O)OC 2230a_100000765174_100011713584 [0,1,0,1,0,0|1,0,0]=3 10609 B15R1.1191 C=CCCCN1CCOCC1C(=O)OC 34a_100000765174_100000757094 [0,1,0,1,0,0|1,0,0]=3 10610 B15R1.1191 C=CCCOC1CCNCC1C(=O)OC 34a_200103168510_100000754431 [0,1,0,1,0,0|1,0,0]=3 10611 B15R1.1191 C=CCCO[C@H]1CCCC[C@H]1C(=O)OC 34a_100015709673_100000754431 [0,1,0,1,0,0|0,0,0]=2 10612 B15R1.1191 C=CCCO[C@H]1CCCC[C@H]1C(=O)OC 7a_100015709673_100000754431 [0,1,0,1,0,0|0,0,0]=2 10613 B15R1.1191 C=COCCN1CCCCC1C(=O)NC 2230a_100011209383_100000039644 [0,1,0,1,0,0|2,0,0]=4 10614 B15R1.1191 C=COCCN1CCCCC1C(=O)NC 269982a_100011209383_100000039644 [0,1,0,1,0,0|2,0,0]=4 10615 B15R1.1191 C=COCCN1CCCCC1C(=O)NC 34a_100011209383_100000039644 [0,1,0,1,0,0|2,0,0]=4 10616 B15R1.1191 C=COCCN1CCCCC1C(=O)OC 2230a_100000734855_100000039644 [0,1,0,1,0,0|1,0,0]=3 10617 B15R1.1191 C=COCCN1CCCCC1C(=O)OC 269982a_100000734855_100000039644 [0,1,0,1,0,0|1,0,0]=3 10618 B15R1.1191 C=COCCN1CCCCC1C(=O)OC 34a_100000734855_100000039644 [0,1,0,1,0,0|1,0,0]=3 10619 B15R1.1191 C=COCCN1CCOCC1C(=O)OC 2230a_100000765174_100000039644 [0,1,0,1,0,0|2,0,0]=4 10620 B15R1.1191 C=COCCN1CCOCC1C(=O)OC 34a_100000765174_100000039644 [0,1,0,1,0,0|2,0,0]=4 10621 B15R1.1191 CC=CCOC1CCNCC1C(=O)OC 34a_200103168510_100000070051 [0,1,0,1,0,0|2,0,0]=4 10622 B15R1.1191 CC=CCO[C@H]1CCCC[C@H]1C(=O)OC 34a_100015709673_100000070051 [0,1,0,1,0,0|1,0,0]=3 10623 B15R1.1191 CC=CCO[C@H]1CCCC[C@H]1C(=O)OC 7a_100015709673_100000070051 [0,1,0,1,0,0|1,0,0]=3 10624 B15R1.1191 CCCCCN1CCCCC1C(=O)OC 2230a_100000734855_100000210326 [0,1,0,1,0,0|0,0,2]=4 10625 B15R1.1191 CCCCCN1CCCCC1C(=O)OC 269982a_100000734855_100000210215 [0,1,0,1,0,0|0,0,2]=4 10626 B15R1.1191 CCCCCN1CCCCC1C(=O)OC 34a_100000734855_100000718602 [0,1,0,1,0,0|0,0,2]=4 10627 B15R1.1191 CCCCO[C@H]1CCCC[C@H]1C(=O)OC 34a_100015709673_100000210210 [0,1,0,1,0,0|0,0,2]=4 10628 B15R1.1191 CCCCO[C@H]1CCCC[C@H]1C(=O)OC 7a_100015709673_100000210211 [0,1,0,1,0,0|0,0,2]=4 10629 B15R1.1191 CNC(=O)C1CCCCN1CCCC=O 2230a_100011209383_200011292268 [0,1,0,1,0,0|2,0,0]=4 10630 B15R1.1191 CNC(=O)C1CCCCN1CCCC=O 269982a_100011209383_200011292268 [0,1,0,1,0,0|2,0,0]=4 10631 B15R1.1191 COC(=O)C1CCCCN1CCCC#N 2230a_100000734855_100000687738 [0,1,0,1,0,0|1,0,1]=4 10632 B15R1.1191 COC(=O)C1CCCCN1CCCC#N 269982a_100000734855_100000687738 [0,1,0,1,0,0|1,0,1]=4 10633 B15R1.1191 COC(=O)C1CCCCN1CCCC=O 2230a_100000734855_200011292268 [0,1,0,1,0,0|1,0,0]=3 10634 B15R1.1191 COC(=O)C1CCCCN1CCCC=O 269982a_100000734855_200011292268 [0,1,0,1,0,0|1,0,0]=3 10635 B15R1.1191 COC(=O)C1CCCCN1CCCCF 2230a_100000734855_100000729493 [0,1,0,1,0,0|1,0,1]=4 10636 B15R1.1191 COC(=O)C1CCCCN1CCCCF 269982a_100000734855_100000729493 [0,1,0,1,0,0|1,0,1]=4 10637 B15R1.1191 COC(=O)C1CCCCN1CCCCF 34a_100000734855_100000729493 [0,1,0,1,0,0|1,0,1]=4 10638 B15R1.1191 COC(=O)C1CCCCN1CCCCO 2230a_100000734855_100000210776 [0,1,0,1,0,0|1,0,1]=4 10639 B15R1.1191 COC(=O)C1CCCCN1CCCCO 269982a_100000734855_100000210776 [0,1,0,1,0,0|1,0,1]=4 10640 B15R1.1191 COC(=O)C1CCCCN1CCCCO 34a_100000734855_100011216708 [0,1,0,1,0,0|1,0,1]=4 10641 B15R1.1191 COC(=O)C1COCCN1CCCC=O 2230a_100000765174_200011292268 [0,1,0,1,0,0|2,0,0]=4 10642 B15R1.1191 COC(=O)[C@@H]1CCCC[C@@H]1OCCC#N 7a_100015709673_100000184422 [0,1,0,1,0,0|1,0,1]=4 10643 B15R1.1191 COC(=O)[C@@H]1CCCC[C@@H]1OCCCF 34a_100015709673_100011934791 [0,1,0,1,0,0|1,0,1]=4 10644 B15R1.1191 COC(=O)[C@@H]1CCCC[C@@H]1OCCCF 7a_100015709673_100011934791 [0,1,0,1,0,0|1,0,1]=4 10645 B15R1.1191 COC(=O)[C@@H]1CCCC[C@@H]1OCCCO 34a_100015709673_100000230001 [0,1,0,1,0,0|1,0,1]=4 10646 B15R1.1191 COC(=O)[C@@H]1CCCC[C@@H]1OCCCO 7a_100015709673_100011215043 [0,1,0,1,0,0|1,0,1]=4 10647 B15R1.1191 COC(=O)[C@@H]1CCCC[C@@H]1OCCSC 34a_100015709673_100000212216 [0,1,0,1,0,0|1,0,1]=4 10648 B15R1.1191 COC(=O)[C@@H]1CCCC[C@@H]1OCCSC 7a_100015709673_100000212216 [0,1,0,1,0,0|1,0,1]=4 10649 B15R1.1191 COCCCN1CCCCC1C(=O)OC 2230a_100000734855_100000740836 [0,1,0,1,0,0|1,0,1]=4 10650 B15R1.1191 COCCCN1CCCCC1C(=O)OC 269982a_100000734855_100000740836 [0,1,0,1,0,0|1,0,1]=4 10651 B15R1.1191 COCCCN1CCCCC1C(=O)OC 34a_100000734855_100000740836 [0,1,0,1,0,0|1,0,1]=4 10652 B15R1.1191 COCCO[C@H]1CCCC[C@H]1C(=O)OC 34a_100015709673_100011201679 [0,1,0,1,0,0|1,0,1]=4 10653 B15R1.1191 COCCO[C@H]1CCCC[C@H]1C(=O)OC 7a_100015709673_100000233755 [0,1,0,1,0,0|1,0,1]=4 10654 B15R1.1203 C#CCCCN1CCC[C@@H]1CC(=O)OC 2230a_100025726698_100000731252 [0,1,0,1,0,0|0,0,2]=4 10655 B15R1.1203 C#CCCCN1CCC[C@@H]1CC(=O)OC 269982a_100025726698_100011215417 [0,1,0,1,0,0|0,0,2]=4 10656 B15R1.1203 C#CCCCN1CCC[C@@H]1CC(=O)OC 34a_100025726698_100000695029 [0,1,0,1,0,0|0,0,2]=4 10657 B15R1.1203 C=CCCCN1CCC[C@@H]1CC(=O)OC 2230a_100025726698_100011713584 [0,1,0,1,0,0|0,0,0]=2 10658 B15R1.1203 C=CCCCN1CCC[C@@H]1CC(=O)OC 269982a_100025726698_100000757094 [0,1,0,1,0,0|0,0,0]=2 10659 B15R1.1203 C=CCCCN1CCC[C@@H]1CC(=O)OC 34a_100025726698_100000757094 [0,1,0,1,0,0|0,0,0]=2 10660 B15R1.1203 C=COCCN1CCC[C@@H]1CC(=O)OC 2230a_100025726698_100000039644 [0,1,0,1,0,0|1,0,0]=3 10661 B15R1.1203 C=COCCN1CCC[C@@H]1CC(=O)OC 269982a_100025726698_100000039644 [0,1,0,1,0,0|1,0,0]=3 10662 B15R1.1203 C=COCCN1CCC[C@@H]1CC(=O)OC 34a_100025726698_100000039644 [0,1,0,1,0,0|1,0,0]=3 10663 B15R1.1203 CCCCCN1CCC[C@@H]1CC(=O)OC 2230a_100025726698_100000210326 [0,1,0,1,0,0|0,0,2]=4 10664 B15R1.1203 CCCCCN1CCC[C@@H]1CC(=O)OC 269982a_100025726698_100000210215 [0,1,0,1,0,0|0,0,2]=4 10665 B15R1.1203 CCCCCN1CCC[C@@H]1CC(=O)OC 34a_100025726698_100000718602 [0,1,0,1,0,0|0,0,2]=4 10666 B15R1.1203 COC(=O)C[C@H]1CCCN1CCCC#N 2230a_100025726698_100000687738 [0,1,0,1,0,0|1,0,1]=4 10667 B15R1.1203 COC(=O)C[C@H]1CCCN1CCCC#N 269982a_100025726698_100000687738 [0,1,0,1,0,0|1,0,1]=4 10668 B15R1.1203 COC(=O)C[C@H]1CCCN1CCCC=O 2230a_100025726698_200011292268 [0,1,0,1,0,0|1,0,0]=3 10669 B15R1.1203 COC(=O)C[C@H]1CCCN1CCCC=O 269982a_100025726698_200011292268 [0,1,0,1,0,0|1,0,0]=3 10670 B15R1.1203 COC(=O)C[C@H]1CCCN1CCCCF 2230a_100025726698_100000729493 [0,1,0,1,0,0|1,0,1]=4 10671 B15R1.1203 COC(=O)C[C@H]1CCCN1CCCCF 269982a_100025726698_100000729493 [0,1,0,1,0,0|1,0,1]=4 10672 B15R1.1203 COC(=O)C[C@H]1CCCN1CCCCF 34a_100025726698_100000729493 [0,1,0,1,0,0|1,0,1]=4 10673 B15R1.1203 COC(=O)C[C@H]1CCCN1CCCCO 2230a_100025726698_100000210776 [0,1,0,1,0,0|1,0,1]=4 10674 B15R1.1203 COC(=O)C[C@H]1CCCN1CCCCO 269982a_100025726698_100000210776 [0,1,0,1,0,0|1,0,1]=4 10675 B15R1.1203 COC(=O)C[C@H]1CCCN1CCCCO 34a_100025726698_100011216708 [0,1,0,1,0,0|1,0,1]=4 10676 B15R1.1203 COCCCN1CCC[C@@H]1CC(=O)OC 2230a_100025726698_100000740836 [0,1,0,1,0,0|1,0,1]=4 10677 B15R1.1203 COCCCN1CCC[C@@H]1CC(=O)OC 269982a_100025726698_100000740836 [0,1,0,1,0,0|1,0,1]=4 10678 B15R1.1203 COCCCN1CCC[C@@H]1CC(=O)OC 34a_100025726698_100000740836 [0,1,0,1,0,0|1,0,1]=4 10679 B15R1.3523 C=CCCCCCCCOC1CCC1=O 34a_100000730831_100009892977 [0,1,0,1,0,0|1,0,0]=3 10680 B15R1.3523 C=CCCCCCCCOC1CCC1=O 7a_100000730831_100009892977 [0,1,0,1,0,0|1,0,0]=3 10681 B15R1.3523 C=CCCCCCCCSC1CCC1=O 62a_100009892977_100012355270 [0,1,0,1,0,0|1,0,0]=3 10682 B15R1.3523 C=CCCCCCCCSC1CCC1=O 62a_100012355270_100009892977 [0,1,0,1,0,0|1,0,0]=3 10683 B15R1.3523 C=CCCCCCOCCC1CCC1=O 7a_100011216702_200016118888 [0,1,0,1,0,0|1,0,0]=3 10684 B15R1.3523 C=CCCCCCSCCC1CCC1=O 62a_100000700193_200016118888 [0,1,0,1,0,0|1,0,0]=3 10685 B15R1.3523 C=CCCCCCSCCC1CCC1=O 62a_200016118888_100000700193 [0,1,0,1,0,0|1,0,0]=3 10686 B15R1.3523 C=COCCCCOCCC1CCC1=O 7a_100000031558_200016118888 [0,1,0,1,0,0|2,0,0]=4 10687 B15R1.3523 O=CCCCCCSCCC1CCC1=O 62a_100000139337_200016118888 [0,1,0,1,0,0|2,0,0]=4 10688 B15R1.3523 O=CCCCCCSCCC1CCC1=O 62a_200016118888_100000139337 [0,1,0,1,0,0|2,0,0]=4 10689 B15R1.3529 CCC1CCCN1CCCCC(=O)OC 2230a_100000754278_100000204269 [0,1,0,1,0,0|0,0,2]=4 10690 B15R1.3529 CCC1CCCN1CCCCC(=O)OC 269982a_100000754278_100000204269 [0,1,0,1,0,0|0,0,2]=4 10691 B15R1.3529 CCC1CCCN1CCCCC(=O)OC 34a_100000754278_100000204269 [0,1,0,1,0,0|0,0,2]=4 10692 B15R1.3529 COC(=O)CCCCN1CCCC1C#N 2230a_100000701862_100000204269 [0,1,0,1,0,0|1,0,1]=4 10693 B15R1.3529 COC(=O)CCCCN1CCC[C@@H]1C#N 2230a_106645074975_100000204269 [0,1,0,1,0,0|1,0,1]=4 10694 B15R1.3529 COC(=O)CCCCN1CCC[C@@H]1C#N 269982a_106645074975_100000204269 [0,1,0,1,0,0|1,0,1]=4 10695 B15R1.3529 COC(=O)CCCCN1CCC[C@@H]1CO 2230a_100000745186_100000204269 [0,1,0,1,0,0|1,0,1]=4 10696 B15R1.3529 COC(=O)CCCCN1CCC[C@@H]1CO 269982a_100000745186_100000204269 [0,1,0,1,0,0|1,0,1]=4 10697 B15R1.3529 COC(=O)CCCCN1CCC[C@@H]1CO 34a_100000745186_100000204269 [0,1,0,1,0,0|1,0,1]=4 10698 B15R1.3529 COC(=O)CCCO[C@@H]1CCC[C@H]1C#N 34a_100011907464_100000742333 [0,1,0,1,0,0|1,0,1]=4 10699 B15R1.3529 COC(=O)CCCO[C@@H]1CCC[C@H]1C#N 7a_100011907464_100011218270 [0,1,0,1,0,0|1,0,1]=4 10700 B15R1.3871 COCC1CCN1CCCCC(=O)OC 2230a_100015195929_100000204269 [0,1,0,1,0,0|1,0,1]=4 10701 B15R1.3871 COCC1CCN1CCCCC(=O)OC 269982a_100015195929_100000204269 [0,1,0,1,0,0|1,0,1]=4 10702 B15R1.3871 COCC1CCN1CCCCC(=O)OC 34a_100015195929_100000204269 [0,1,0,1,0,0|1,0,1]=4 10703 B15R1.4155 C#CCCCCCN1CC[C@H]1C(=O)OC 2230a_102516456887_100012094781 [0,1,0,1,0,0|0,0,2]=4 10704 B15R1.4155 C#CCCCCCN1CC[C@H]1C(=O)OC 269982a_102516456887_100012094781 [0,1,0,1,0,0|0,0,2]=4 10705 B15R1.4155 C=CCCCCCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000700193 [0,1,0,1,0,0|0,0,0]=2 10706 B15R1.4155 C=CCCCCCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000700193 [0,1,0,1,0,0|0,0,0]=2 10707 B15R1.4155 CCCCCCCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000210681 [0,1,0,1,0,0|0,0,2]=4 10708 B15R1.4155 CCCCCCCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000210681 [0,1,0,1,0,0|0,0,2]=4 10709 B15R1.4155 COC(=O)[C@@H]1CCN1CCCCCC#N 2230a_102516456887_100009813376 [0,1,0,1,0,0|1,0,1]=4 10710 B15R1.4155 COC(=O)[C@@H]1CCN1CCCCCC#N 269982a_102516456887_100009813376 [0,1,0,1,0,0|1,0,1]=4 10711 B15R1.4155 COC(=O)[C@@H]1CCN1CCCCCC=O 2230a_102516456887_100000139337 [0,1,0,1,0,0|1,0,0]=3 10712 B15R1.4155 COC(=O)[C@@H]1CCN1CCCCCC=O 269982a_102516456887_100000139337 [0,1,0,1,0,0|1,0,0]=3 10713 B15R1.4155 COC(=O)[C@@H]1CCN1CCCCCCF 2230a_102516456887_100015922095 [0,1,0,1,0,0|1,0,1]=4 10714 B15R1.4155 COC(=O)[C@@H]1CCN1CCCCCCF 269982a_102516456887_100015922095 [0,1,0,1,0,0|1,0,1]=4 10715 B15R1.4155 COC(=O)[C@@H]1CCN1CCCCCCO 2230a_102516456887_100000766143 [0,1,0,1,0,0|1,0,1]=4 10716 B15R1.4155 COC(=O)[C@@H]1CCN1CCCCCCO 269982a_102516456887_100000766143 [0,1,0,1,0,0|1,0,1]=4 10717 B15R1.11842 C=CCCCCCCCOCC1(CO1)C 34a_100000730831_100000760498 [0,1,0,1,0,0|1,0,1]=4 10718 B15R1.11842 C=CCCCCCCCSCC1(CO1)C 62a_100000760498_100012355270 [0,1,0,1,0,0|1,0,1]=4 10719 B15R1.11842 C=CCCCCCCCSCC1(CO1)C 62a_100012355270_100000760498 [0,1,0,1,0,0|1,0,1]=4 10720 B15R1.11890 C=CCCCCCCCN1CC(C1)OC 269982a_100000755009_100012355270 [0,1,0,1,0,0|1,0,1]=4 10721 B15R1.11890 C=CCCCCCCN[C@H]1C[C@@H](C1)OC 2230a_100121570643_100011215473 [0,1,0,1,0,0|1,0,1]=4 10722 B15R1.12031 C=CCCCCCN1CCCC(C1)OC 2230a_100000695604_100000700193 [0,1,0,1,0,0|1,0,1]=4 10723 B15R1.12031 C=CCCCCCN1CCCC(C1)OC 269982a_100000695604_100000700193 [0,1,0,1,0,0|1,0,1]=4 10724 B15R1.12031 C=CCCCCCN1CCCC(C1)OC 34a_100000695604_100000700193 [0,1,0,1,0,0|1,0,1]=4 10725 B15R1.1200 C=CCCCN1CCC[C@H]1C(=O)N(C)C 2230a_100020603401_100011713584 [0,1,0,1,0,0|2,0,0]=4 10726 B15R1.1200 C=CCCCN1CCC[C@H]1C(=O)N(C)C 34a_100020603401_100000757094 [0,1,0,1,0,0|2,0,0]=4 10727 B15R1.3664 CN(C)C(=O)CCCNC1C=CCCC1 2230a_200000744827_100000751183 [0,1,0,1,0,0|2,0,0]=4 10728 B15R1.3664 CN(C)C(=O)CCCSC1C=CCCC1 62a_100000737642_100000751183 [0,1,0,1,0,0|2,0,0]=4 10729 B15R1.3664 CN(C)C(=O)CCCSC1C=CCCC1 62a_100000751183_100000737642 [0,1,0,1,0,0|2,0,0]=4 10730 B15R1.12171 C=CCCCCCCCCC(=O)C1CC1 1458a_100000210395_100011933949 [0,1,0,1,0,0|1,0,0]=3 10731 B15R1.12171 C=CCCCCCCCCC(=O)C1CO1 1458a_100000701028_100011933949 [0,1,0,1,0,0|0,0,0]=2 10732 B15R1.12171 C=CCCCCCCOCC(=O)C1CC1 34a_100000686663_100011215473 [0,1,0,1,0,0|2,0,0]=4 10733 B15R1.12171 C=CCCCCCCOCC(=O)C1CC1 34a_200011216477_100000746382 [0,1,0,1,0,0|2,0,0]=4 10734 B15R1.12171 C=CCCCCCCOCC(=O)C1CC1 7a_200011216477_100000746382 [0,1,0,1,0,0|2,0,0]=4 10735 B15R1.12171 C=CCCCCCCSCC(=O)C1CC1 62a_100000746382_100011215473 [0,1,0,1,0,0|2,0,0]=4 10736 B15R1.12171 C=CCCCCCCSCC(=O)C1CC1 62a_100011215473_100000746382 [0,1,0,1,0,0|2,0,0]=4 10737 B15R1.12171 CCCCCCCCCCC(=O)C1CO1 1458a_100000701028_100000210319 [0,1,0,1,0,0|0,0,2]=4 10738 B15R1.12171 O=C(CCCCCCCCCO)C1CO1 1458a_100000701028_100009813782 [0,1,0,1,0,0|1,0,1]=4 10739 B15R1.15979 CC(=O)C(=O)COC1C=CCCCCC1 34a_100000688657_100011261029 [0,1,0,1,0,0|2,0,0]=4 10740 B15R1.15979 CC(C)C(=O)COC1C=CCCCCC1 34a_100000688657_100000753385 [0,1,0,1,0,0|2,0,0]=4 10741 B15R1.15979 CN(C)C(=O)COC1C=CCCCCC1 34a_100000688657_100000692301 [0,1,0,1,0,0|2,0,0]=4 10742 B15R1.778 CCOC(=O)CCCOC1C=CCCC1 34a_100011215024_100009991533 [0,1,0,1,0,0|1,0,0]=3 10743 B15R1.778 CCOC(=O)CCCOC1C=CCCC1 7a_100012001163_100000751183 [0,1,0,1,0,0|1,0,0]=3 10744 B15R1.778 CCOC(=O)CCCSC1C=CCCC1 62a_100000751183_100009991533 [0,1,0,1,0,0|1,0,0]=3 10745 B15R1.778 CCOC(=O)CCCSC1C=CCCC1 62a_100009991533_100000751183 [0,1,0,1,0,0|1,0,0]=3 10746 B15R1.778 CCOC(=O)NCCSC1C=CCCC1 62a_100000751183_200011445536 [0,1,0,1,0,0|2,0,0]=4 10747 B15R1.843 C=CCCN1CCCCC1C(=O)OCC 2230a_100016990872_100000754431 [0,1,0,1,0,0|1,0,0]=3 10748 B15R1.843 C=CCCN1CCCCC1C(=O)OCC 269982a_100016990872_100000754431 [0,1,0,1,0,0|1,0,0]=3 10749 B15R1.843 C=CCCN1CCOC[C@H]1C(=O)OCC 2230a_100015229691_100000754431 [0,1,0,1,0,0|2,0,0]=4 10750 B15R1.843 C=CCCN1CCOC[C@H]1C(=O)OCC 269982a_100015229691_100000754431 [0,1,0,1,0,0|2,0,0]=4 10751 B15R1.843 C=CCCN1CCSCC1C(=O)OCC 2230a_100000735462_100000754431 [0,1,0,1,0,0|2,0,0]=4 10752 B15R1.843 C=CCCN1CCSCC1C(=O)OCC 269982a_100000735462_100000754431 [0,1,0,1,0,0|2,0,0]=4 10753 B15R1.843 C=CCOC1CCCCC1C(=O)OCC 7a_100000038711_100015514636 [0,1,0,1,0,0|1,0,0]=3 10754 B15R1.843 CCOC(=O)C1CCCCC1OCC=O 7a_100000038711_200015260668 [0,1,0,1,0,0|2,0,0]=4 10755 B15R1.1251 CCOC(=O)CSC1CCCCCC1=O 62a_100000188475_100000243696 [0,1,0,1,0,0|2,0,0]=4 10756 B15R1.1251 CCOC(=O)CSC1CCCCCC1=O 62a_100000243696_100000188475 [0,1,0,1,0,0|2,0,0]=4 10757 B15R1.1252 CCOC(=O)CCOC1CCCCC1=O 34a_100011214950_100000765890 [0,1,0,1,0,0|2,0,0]=4 10758 B15R1.1252 CCOC(=O)CCSC1CCCCC1=O 62a_100000204591_100000765890 [0,1,0,1,0,0|2,0,0]=4 10759 B15R1.1252 CCOC(=O)CCSC1CCCCC1=O 62a_100000765890_100000204591 [0,1,0,1,0,0|2,0,0]=4 10760 B15R1.1252 CCOC(=O)COCC1CCCCC1=O 34a_100009861125_100000188475 [0,1,0,1,0,0|2,0,0]=4 10761 B15R1.1252 CCOC(=O)COCC1CCCCC1=O 7a_100009861125_100000188475 [0,1,0,1,0,0|2,0,0]=4 10762 B15R1.3857 CCOC(=O)CCCOC1CCCC1=O 34a_200000719330_100009991533 [0,1,0,1,0,0|2,0,0]=4 10763 B15R1.3857 CCOC(=O)CCCOC1CCCC1=O 7a_100012001163_100000211823 [0,1,0,1,0,0|2,0,0]=4 10764 B15R1.3857 CCOC(=O)CCCSC1CCCC1=O 62a_100000211823_100009991533 [0,1,0,1,0,0|2,0,0]=4 10765 B15R1.3857 CCOC(=O)CCCSC1CCCC1=O 62a_100009991533_100000211823 [0,1,0,1,0,0|2,0,0]=4 10766 B15R1.3880 C=CCN1CCCCC1CC(=O)OCC 2230a_100116209990_100000210623 [0,1,0,1,0,0|1,0,0]=3 10767 B15R1.3880 C=CCN1CCCCC1CC(=O)OCC 269982a_100116209990_100000210623 [0,1,0,1,0,0|1,0,0]=3 10768 B15R1.3880 CCOC(=O)CC1CCCCN1CC=O 2230a_100116209990_200015260668 [0,1,0,1,0,0|2,0,0]=4 10769 B15R1.3880 CCOC(=O)CC1CCCCN1CC=O 269982a_100116209990_200015260668 [0,1,0,1,0,0|2,0,0]=4 10770 B15R1.9209 C=CCCCN1CCC[C@H]1C(=O)NCC 2230a_100020641767_100011713584 [0,1,0,1,0,0|2,0,0]=4 10771 B15R1.9209 C=CCCCN1CCC[C@H]1C(=O)NCC 269982a_100020641767_100000757094 [0,1,0,1,0,0|2,0,0]=4 10772 B15R1.9209 C=CCCCN1CCC[C@H]1C(=O)NCC 34a_100020641767_100000757094 [0,1,0,1,0,0|2,0,0]=4 10773 B15R1.9209 C=CCCCN1CCC[C@H]1C(=O)OCC 2230a_100000703725_100011713584 [0,1,0,1,0,0|1,0,0]=3 10774 B15R1.9209 C=CCCCN1CCC[C@H]1C(=O)OCC 269982a_100000703725_100000757094 [0,1,0,1,0,0|1,0,0]=3 10775 B15R1.9209 C=CCCCN1CSC[C@H]1C(=O)OCC 269982a_100016989239_100000757094 [0,1,0,1,0,0|2,0,0]=4 10776 B15R1.9209 C=CCCO[C@H]1CCC[C@H]1C(=O)OCC 7a_200015395474_100000754431 [0,1,0,1,0,0|1,0,0]=3 10777 B15R1.9209 C=COCCN1CCC[C@H]1C(=O)OCC 2230a_100000703725_100000039644 [0,1,0,1,0,0|2,0,0]=4 10778 B15R1.9209 C=COCCN1CCC[C@H]1C(=O)OCC 269982a_100000703725_100000039644 [0,1,0,1,0,0|2,0,0]=4 10779 B15R1.9209 CCOC(=O)[C@@H]1CCCN1CCCC=O 2230a_100000703725_200011292268 [0,1,0,1,0,0|2,0,0]=4 10780 B15R1.9209 CCOC(=O)[C@@H]1CCCN1CCCC=O 269982a_100000703725_200011292268 [0,1,0,1,0,0|2,0,0]=4 10781 B15R1.10366 C=COC(=O)COC1C=CCCCCC1 34a_100000688657_100000036128 [0,1,0,1,0,0|1,0,1]=4 10782 B15R1.10366 CCNC(=O)COC1C=CCCCCC1 34a_100000688657_100000183381 [0,1,0,1,0,0|2,0,0]=4 10783 B15R1.10366 CCOC(=O)COC1C=CCCCCC1 34a_100000688657_100000188475 [0,1,0,1,0,0|1,0,0]=3 10784 B15R1.10366 O=C(COC1C=CCCCCC1)NCO 34a_100000688657_100000185155 [0,1,0,1,0,0|2,0,0]=4 10785 B15R2.29 O=C1CCC(CC1)OC2C=CCCC2 7a_100000764474_100000751183 [0,0,0,2,0,0|2,0,0]=4 10786 B15R2.29 O=C1CCC(CN1)NC2C=CCCC2 2230a_100000748762_100000751183 [0,0,0,2,0,0|2,0,0]=4 10787 B15R2.19292 CCC(=O)COCC1CC2C=CC1C2 34a_100000725409_200009814271 [0,0,0,2,0,0|2,0,0]=4 10788 B15R2.19292 CCC(=O)CSCC1CC2C=CC1C2 62a_100000139495_100000747405 [0,0,0,2,0,0|2,0,0]=4 10789 B15R2.19292 CCC(=O)CSCC1CC2C=CC1C2 62a_100000747405_100000139495 [0,0,0,2,0,0|2,0,0]=4 10790 B15R2.19292 CNC(=O)CCCN1CC2C=CC1C2 2230a_100000732668_100000741757 [0,0,0,2,0,0|2,0,0]=4 10791 B15R2.19292 CNC(=O)CCCN1CC2C=CC1C2 269982a_100000732668_100000741757 [0,0,0,2,0,0|2,0,0]=4 10792 B15R2.19292 CNC(=O)CCCN1CC2C=CC1C2 34a_100000732668_100000741757 [0,0,0,2,0,0|2,0,0]=4 10793 B15R2.19292 CNC(=O)CCOC1CC2C=CC1C2 34a_100000043678_100012179268 [0,0,0,2,0,0|2,0,0]=4 10794 B15R2.19292 CNC(=O)CNCC1CC2C=CC1C2 2230a_100000189500_100000183359 [0,0,0,2,0,0|2,0,0]=4 10795 B15R2.19292 CNC(=O)CNCC1CC2C=CC1C2 2230a_100000693194_200009814271 [0,0,0,2,0,0|2,0,0]=4 10796 B15R2.19292 CNC(=O)CNCC1CC2C=CC1C2 34a_100000189500_100000183359 [0,0,0,2,0,0|2,0,0]=4 10797 B15R2.19292 CNC(=O)COCC1CC2C=CC1C2 34a_100000750040_200009814271 [0,0,0,2,0,0|2,0,0]=4 10798 B15R2.19292 CNC(=O)COCC1CC2C=CC1C2 34a_100011215361_100000183359 [0,0,0,2,0,0|2,0,0]=4 10799 B15R2.19292 CNC(=O)CSCC1CC2C=CC1C2 62a_100000139495_100000183359 [0,0,0,2,0,0|2,0,0]=4 10800 B15R2.19292 CNC(=O)CSCC1CC2C=CC1C2 62a_100000183359_100000139495 [0,0,0,2,0,0|2,0,0]=4 10801 B15R2.19292 COC(=O)CCCN1CC2C=CC1C2 2230a_100000732668_100011218270 [0,0,0,2,0,0|1,0,0]=3 10802 B15R2.19292 COC(=O)CCCN1CC2C=CC1C2 269982a_100000732668_100011218270 [0,0,0,2,0,0|1,0,0]=3 10803 B15R2.19292 COC(=O)CCCN1CC2C=CC1C2 34a_100000732668_100000742333 [0,0,0,2,0,0|1,0,0]=3 10804 B15R2.19292 COC(=O)CCOC1CC2C=CC1C2 34a_100000043678_100000742370 [0,0,0,2,0,0|1,0,0]=3 10805 B15R2.19292 COC(=O)CNCC1CC2C=CC1C2 2230a_100000189500_100000747449 [0,0,0,2,0,0|1,0,0]=3 10806 B15R2.19292 COC(=O)CNCC1CC2C=CC1C2 34a_100000189500_100000747449 [0,0,0,2,0,0|1,0,0]=3 10807 B15R2.19292 COC(=O)COCC1CC2C=CC1C2 34a_100011215361_100000747449 [0,0,0,2,0,0|1,0,0]=3 10808 B15R2.19292 COC(=O)CSCC1CC2C=CC1C2 62a_100000139495_100000747449 [0,0,0,2,0,0|1,0,0]=3 10809 B15R2.19292 COC(=O)CSCC1CC2C=CC1C2 62a_100000747449_100000139495 [0,0,0,2,0,0|1,0,0]=3 10810 B15R2.283 O=C1CC(CN1)CNC2C=CCCC2 2230a_100016993742_100000751183 [0,0,0,2,0,0|2,0,0]=4 10811 B15R2.283 O=C1N[C@H](CO1)COC2C=CCCC2 34a_100011215024_100015307671 [0,0,0,2,0,0|2,0,0]=4 10812 B15R2.283 O=C1N[C@H](CO1)CSC2C=CCCC2 62a_100000751183_100015307671 [0,0,0,2,0,0|2,0,0]=4 10813 B15R2.283 O=C1N[C@H](CO1)CSC2C=CCCC2 62a_100015307671_100000751183 [0,0,0,2,0,0|2,0,0]=4 10814 B15R2.283 O=C1OCC(O1)COC2C=CCCC2 34a_100011215024_100000073702 [0,0,0,2,0,0|2,0,0]=4 10815 B15R2.283 O=C1OCC(O1)CSC2C=CCCC2 62a_100000073702_100000751183 [0,0,0,2,0,0|2,0,0]=4 10816 B15R2.283 O=C1OCC(O1)CSC2C=CCCC2 62a_100000751183_100000073702 [0,0,0,2,0,0|2,0,0]=4 10817 B15R2.342 O=C1CCC1CCSC2C=CCCC2 62a_100000751183_200016118888 [0,0,0,2,0,0|2,0,0]=4 10818 B15R2.342 O=C1CCC1CCSC2C=CCCC2 62a_200016118888_100000751183 [0,0,0,2,0,0|2,0,0]=4 10819 B15R2.8893 O=C1CCC1OC2C=CCCCCC2 34a_100000688657_100009892977 [0,0,0,2,0,0|2,0,0]=4 10820 B15R2.1600 COC(=O)[C@@H]1CCN1C2C=CCCC2 2230a_102516456887_100000751183 [0,0,0,2,0,0|1,0,0]=3 10821 B15R2.1600 COC(=O)[C@@H]1CCN1C2C=CCCC2 269982a_102516456887_100000751183 [0,0,0,2,0,0|1,0,0]=3 10822 B15R2.1592 COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C 2230a_100102885509_200000210301 [0,0,0,2,0,0|1,0,1]=4 10823 B15R2.1592 COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C 269982a_100102885509_200000210301 [0,0,0,2,0,0|1,0,1]=4 10824 B15R2.1592 COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C 34a_100102885509_200000210301 [0,0,0,2,0,0|1,0,1]=4 10825 B15R2.1592 COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1[13CH3] 2230a_100102885509_200025704644 [0,0,0,2,0,0|1,0,1]=4 10826 B15R2.1592 COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1[13CH3] 269982a_100102885509_200025704644 [0,0,0,2,0,0|1,0,1]=4 10827 B15R2.1592 COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1[13CH3] 34a_100102885509_200025704644 [0,0,0,2,0,0|1,0,1]=4 10828 B15R2.18694 C=CCCN1CC2CC1C2C(=O)OC 2230a_200010453038_100000754431 [0,0,0,2,0,0|1,0,0]=3 10829 B15R2.18694 C=CCCN1CC2CC1C2C(=O)OC 269982a_200010453038_100000754431 [0,0,0,2,0,0|1,0,0]=3 10830 B15R2.18694 C=CCCN1CC2CC1C2C(=O)OC 34a_200010453038_100000754431 [0,0,0,2,0,0|1,0,0]=3 10831 B15R2.19362 COC(=O)[C@@H]1CCN1C2CCCC2=O 2230a_102516456887_100000211823 [0,0,0,2,0,0|2,0,0]=4 10832 B15R2.19362 COC(=O)[C@@H]1CCN1C2CCCC2=O 269982a_102516456887_100000211823 [0,0,0,2,0,0|2,0,0]=4 10833 B15R2.1619 COC(=O)[C@@H]1CCCN1C2CCC2=O 269982a_100000752040_100009892977 [0,0,0,2,0,0|2,0,0]=4 10834 B15R2.19332 COC(=O)C1CN1CCC2CCC2=O 2230a_200009830135_200016118888 [0,0,0,2,0,0|2,0,0]=4