0 B11R0.106 C#CC(=O)CCCCC(=O)OC 1458a_100000211873_100000204269 [0,0,0,0,0,0|1,0,1]=2 1 B11R0.106 C#CC(=O)CCOCC(=O)OC 1458a_100000211873_100000090808 [0,0,0,0,0,0|2,0,1]=3 2 B11R0.106 C=C(C#N)CSCCC(=O)OC 62a_100000204255_100000694840 [0,0,0,0,0,0|4,0,0]=4 3 B11R0.106 C=CC(=O)CCCCC(=O)OC 1458a_100000185746_100000204269 [0,0,0,0,0,0|1,0,1]=2 4 B11R0.106 C=CC(=O)CCOCC(=O)OC 1458a_100000185746_100000090808 [0,0,0,0,0,0|2,0,1]=3 5 B11R0.106 C=CC(=O)NCCCC(=O)NC 240690a_100000740002_200121576911 [0,0,0,0,0,0|3,0,1]=4 6 B11R0.106 CCC(=O)CCCCC(=O)OC 1458a_100000210414_100000204269 [0,0,0,0,0,0|1,0,0]=1 7 B11R0.106 CCC(=O)CCCCC(=O)OC 1458a_100000695723_100000210202 [0,0,0,0,0,0|1,0,0]=1 8 B11R0.106 CCC(=O)CCCNC(=O)OC 1458a_100000753017_100000210202 [0,0,0,0,0,0|2,0,0]=2 9 B11R0.106 CCC(=O)CCOCC(=O)OC 1458a_100000210414_100000090808 [0,0,0,0,0,0|2,0,0]=2 10 B11R0.106 CCC(=O)COCCC(=O)NC 34a_100000725409_100012179268 [0,0,0,0,0,0|3,0,0]=3 11 B11R0.106 CCC(=O)COCCC(=O)OC 34a_100000725409_100000742370 [0,0,0,0,0,0|2,0,0]=2 12 B11R0.106 CCC(=O)COCCC(C)OC 7a_100000764861_100000747405 [0,0,0,0,0,0|3,0,1]=4 13 B11R0.106 CCC(=O)CSCCC(=O)NC 62a_100000737683_100000747405 [0,0,0,0,0,0|3,0,0]=3 14 B11R0.106 CCC(=O)CSCCC(=O)NC 62a_100000747405_100000737683 [0,0,0,0,0,0|3,0,0]=3 15 B11R0.106 CCC(=O)CSCCC(=O)OC 62a_100000204255_100000747405 [0,0,0,0,0,0|2,0,0]=2 16 B11R0.106 CCC(=O)CSCCC(=O)OC 62a_100000747405_100000204255 [0,0,0,0,0,0|2,0,0]=2 17 B11R0.106 CCC(=O)CSCOC(=O)OC 62a_100000747405_100000139417 [0,0,0,0,0,0|3,0,0]=3 18 B11R0.106 CCC(=O)NCCCC(=O)NC 11a_100000740002_100000210414 [0,0,0,0,0,0|3,0,0]=3 19 B11R0.106 CCC(=O)NCCCC(=O)NC 240690a_100000740002_100000210414 [0,0,0,0,0,0|3,0,0]=3 20 B11R0.106 CCC(=O)NCCCC(=O)NC 527a_100000740002_100000210414 [0,0,0,0,0,0|3,0,0]=3 21 B11R0.106 CCC(=O)NCCCC(=O)OC 188690a_100000184769_100000210414 [0,0,0,0,0,0|2,0,0]=2 22 B11R0.106 CCC(=O)NCCNC(=O)CC 11a_100132302217_100000210414 [0,0,0,0,0,0|4,0,0]=4 23 B11R0.106 CCC(=O)NCCNC(=O)CC 1626a_100132302217_100000210414 [0,0,0,0,0,0|4,0,0]=4 24 B11R0.106 CCC(=O)NCCNC(=O)CC 240690a_100132302217_100000210414 [0,0,0,0,0,0|4,0,0]=4 25 B11R0.106 CCC(=O)NCCNC(=O)CC 527a_100132302217_100000210414 [0,0,0,0,0,0|4,0,0]=4 26 B11R0.106 CCC(=O)NCCNC(=O)NC 11a_100015205895_100000210414 [0,0,0,0,0,0|4,0,0]=4 27 B11R0.106 CCC(=O)NCCNC(=O)NC 240690a_100015205895_100000210414 [0,0,0,0,0,0|4,0,0]=4 28 B11R0.106 CCC(=O)NCCNC(=O)NC 2708a_100102657272_100132302217 [0,0,0,0,0,0|4,0,0]=4 29 B11R0.106 CCC(=O)NCCNC(=O)NC 2708a_100132302217_106832991635 [0,0,0,0,0,0|4,0,0]=4 30 B11R0.106 CCC(=O)NCCNC(=O)NC 273464a_100102657272_100132302217 [0,0,0,0,0,0|4,0,0]=4 31 B11R0.106 CCC(=O)NCCNC(=O)NC 273464a_100132302217_100102657272 [0,0,0,0,0,0|4,0,0]=4 32 B11R0.106 CCC(=O)NCCNC(=O)NC 512a_100132302217_100102657272 [0,0,0,0,0,0|4,0,0]=4 33 B11R0.106 CCC(=O)NCCNC(=O)NC 512a_106832991638_100132302217 [0,0,0,0,0,0|4,0,0]=4 34 B11R0.106 CCC(=O)NCCNC(=O)NC 527a_100015205895_100000210414 [0,0,0,0,0,0|4,0,0]=4 35 B11R0.106 CCC(=O)NN=CCC(=O)OC 4a_100000183195_200011552997 [0,0,0,0,0,0|3,0,1]=4 36 B11R0.106 CCC(C)CCNCC(=O)OC 2230a_100020591266_100000747449 [0,0,0,0,0,0|3,0,1]=4 37 B11R0.106 CCC(C)CCOCC(=O)OC 7a_100011215188_100000747449 [0,0,0,0,0,0|3,0,1]=4 38 B11R0.106 CCC(C)CNCCC(=O)OC 2230a_100020588543_100000204255 [0,0,0,0,0,0|3,0,1]=4 39 B11R0.106 CCC(C)CSCCC(=O)OC 62a_100000204255_100000748023 [0,0,0,0,0,0|3,0,1]=4 40 B11R0.106 CCC(C)CSCCC(=O)OC 62a_100000748023_100000204255 [0,0,0,0,0,0|3,0,1]=4 41 B11R0.106 CCC(C)NCCCC(=O)OC 2230a_100000209981_100011218270 [0,0,0,0,0,0|3,0,1]=4 42 B11R0.106 CCC(C)OCCCC(=O)OC 7a_100000210228_100011218270 [0,0,0,0,0,0|3,0,1]=4 43 B11R0.106 CCC(C)SCCCC(=O)OC 62a_100000758301_100011218270 [0,0,0,0,0,0|3,0,1]=4 44 B11R0.106 CCC(C)SCCCC(=O)OC 62a_100011218270_100000758301 [0,0,0,0,0,0|3,0,1]=4 45 B11R0.106 CCC(O)CNCCC(=O)OC 2230a_100011218483_100000204255 [0,0,0,0,0,0|2,0,2]=4 46 B11R0.106 CCC(O)CSCCC(=O)OC 62a_100000204255_100011218378 [0,0,0,0,0,0|2,0,2]=4 47 B11R0.106 CCC(O)CSCCC(=O)OC 62a_100011218378_100000204255 [0,0,0,0,0,0|2,0,2]=4 48 B11R0.106 CCN(C)CCCCC(=O)OC 2230a_100000225621_100000204269 [0,0,0,0,0,0|3,0,0]=3 49 B11R0.106 CCN(C)CCCCC(=O)OC 269982a_100000225621_100000204269 [0,0,0,0,0,0|3,0,0]=3 50 B11R0.106 CCN(C)CCOCC(=O)OC 2230a_100000225621_100000090808 [0,0,0,0,0,0|4,0,0]=4 51 B11R0.106 CC[C@H](C)COCCC(=O)OC 7a_100009816381_100000204255 [0,0,0,0,0,0|3,0,1]=4 52 B11R0.106 CC[C@H](C)CSCCC(=O)OC 62a_100000204255_100009816398 [0,0,0,0,0,0|3,0,1]=4 53 B11R0.106 CC[C@H](C)CSCCC(=O)OC 62a_100009816398_100000204255 [0,0,0,0,0,0|3,0,1]=4 54 B11R0.106 CNC(=O)CCCCC(=O)OC 11a_106832991635_100000695723 [0,0,0,0,0,0|1,0,0]=1 55 B11R0.106 CNC(=O)CCCCC(=O)OC 1626a_100102657272_100000695723 [0,0,0,0,0,0|1,0,0]=1 56 B11R0.106 CNC(=O)CCCCC(=O)OC 240690a_100102657272_100000695723 [0,0,0,0,0,0|1,0,0]=1 57 B11R0.106 CNC(=O)CCCCC(=O)OC 527a_100102657272_100000695723 [0,0,0,0,0,0|1,0,0]=1 58 B11R0.106 CNC(=O)CCCNC(=O)CO 240690a_100000740002_100000210174 [0,0,0,0,0,0|4,0,0]=4 59 B11R0.106 CNC(=O)CCCNC(=O)CO 527a_100000740002_100000210174 [0,0,0,0,0,0|4,0,0]=4 60 B11R0.106 CNC(=O)CCCNC(=O)NC 2708a_100000740002_106832991635 [0,0,0,0,0,0|3,0,0]=3 61 B11R0.106 CNC(=O)CCCNC(=O)NC 2708a_100102657272_100000740002 [0,0,0,0,0,0|3,0,0]=3 62 B11R0.106 CNC(=O)CCCNC(=O)NC 273464a_100000740002_100102657272 [0,0,0,0,0,0|3,0,0]=3 63 B11R0.106 CNC(=O)CCCNC(=O)NC 273464a_100102657272_100000740002 [0,0,0,0,0,0|3,0,0]=3 64 B11R0.106 CNC(=O)CCCNC(=O)NC 512a_100000740002_100102657272 [0,0,0,0,0,0|3,0,0]=3 65 B11R0.106 CNC(=O)CCCNC(=O)NC 512a_106832991638_100000740002 [0,0,0,0,0,0|3,0,0]=3 66 B11R0.106 CNC(=O)CCCNC(=O)OC 11a_106832991635_100000753017 [0,0,0,0,0,0|2,0,0]=2 67 B11R0.106 CNC(=O)CCCNC(=O)OC 1626a_100102657272_100000753017 [0,0,0,0,0,0|2,0,0]=2 68 B11R0.106 CNC(=O)CCCNC(=O)OC 240690a_100102657272_100000753017 [0,0,0,0,0,0|2,0,0]=2 69 B11R0.106 CNC(=O)CCCNC(=O)OC 527a_100102657272_100000753017 [0,0,0,0,0,0|2,0,0]=2 70 B11R0.106 CNC(=O)CCCSC(C)OC 62a_100000741757_100009879195 [0,0,0,0,0,0|3,0,1]=4 71 B11R0.106 CNC(=O)CCCSC(C)OC 62a_100009879195_100000741757 [0,0,0,0,0,0|3,0,1]=4 72 B11R0.106 CNC(=O)CCNCC(=O)NC 2230a_100000693194_100000737683 [0,0,0,0,0,0|3,0,0]=3 73 B11R0.106 CNC(=O)CCNCC(=O)NC 2230a_100000738227_100000183359 [0,0,0,0,0,0|3,0,0]=3 74 B11R0.106 CNC(=O)CCNCC(=O)NC 34a_100000738227_100000183359 [0,0,0,0,0,0|3,0,0]=3 75 B11R0.106 CNC(=O)CCNCC(=O)OC 2230a_100000738227_100000747449 [0,0,0,0,0,0|2,0,0]=2 76 B11R0.106 CNC(=O)CCNCC(=O)OC 34a_100000738227_100000747449 [0,0,0,0,0,0|2,0,0]=2 77 B11R0.106 CNC(=O)CCNC[C@@H](C)OC 2230a_100020591295_100000737683 [0,0,0,0,0,0|3,0,1]=4 78 B11R0.106 CNC(=O)CCOCC(=O)NC 34a_100000750040_100012179268 [0,0,0,0,0,0|3,0,0]=3 79 B11R0.106 CNC(=O)CCOCC(=O)NC 34a_100000754576_100000183359 [0,0,0,0,0,0|3,0,0]=3 80 B11R0.106 CNC(=O)CCOCC(=O)OC 34a_100000754576_100000747449 [0,0,0,0,0,0|2,0,0]=2 81 B11R0.106 CNC(=O)CCOCC(C)OC 34a_100000690652_100012179268 [0,0,0,0,0,0|3,0,1]=4 82 B11R0.106 CNC(=O)CCSCC(=O)NC 62a_100000183359_100000737683 [0,0,0,0,0,0|3,0,0]=3 83 B11R0.106 CNC(=O)CCSCC(=O)NC 62a_100000737683_100000183359 [0,0,0,0,0,0|3,0,0]=3 84 B11R0.106 CNC(=O)CCSCC(=O)OC 62a_100000737683_100000747449 [0,0,0,0,0,0|2,0,0]=2 85 B11R0.106 CNC(=O)CCSCC(=O)OC 62a_100000747449_100000737683 [0,0,0,0,0,0|2,0,0]=2 86 B11R0.106 CNC(=O)CNCCC(=O)OC 2230a_100000693194_100000204255 [0,0,0,0,0,0|2,0,0]=2 87 B11R0.106 CNC(=O)COCCC(=O)OC 34a_100000750040_100000742370 [0,0,0,0,0,0|2,0,0]=2 88 B11R0.106 CNC(=O)COCCC(C)OC 7a_100000764861_100000183359 [0,0,0,0,0,0|3,0,1]=4 89 B11R0.106 CNC(=O)CSCCC(=O)OC 62a_100000183359_100000204255 [0,0,0,0,0,0|2,0,0]=2 90 B11R0.106 CNC(=O)CSCCC(=O)OC 62a_100000204255_100000183359 [0,0,0,0,0,0|2,0,0]=2 91 B11R0.106 CNC(=O)CSCOC(=O)OC 62a_100000183359_100000139417 [0,0,0,0,0,0|3,0,0]=3 92 B11R0.106 CNC(=O)NCCNC(=O)NC 2708a_100102657272_100015205895 [0,0,0,0,0,0|4,0,0]=4 93 B11R0.106 CNC(=O)NCCNC(=O)NC 273464a_100015205895_100102657272 [0,0,0,0,0,0|4,0,0]=4 94 B11R0.106 CNC(=O)NCCNC(=O)NC 273464a_100102657272_100015205895 [0,0,0,0,0,0|4,0,0]=4 95 B11R0.106 CNC(=O)NCCNC(=O)NC 512a_100015205895_100102657272 [0,0,0,0,0,0|4,0,0]=4 96 B11R0.106 CNC(=O)NCCNC(=O)NC 512a_106832991638_100015205895 [0,0,0,0,0,0|4,0,0]=4 97 B11R0.106 COC(=O)CCCCC(=O)CF 1458a_100000695723_100015361967 [0,0,0,0,0,0|2,0,0]=2 98 B11R0.106 COC(=O)CCCCC(=O)CO 1458a_100000210174_100000204269 [0,0,0,0,0,0|2,0,0]=2 99 B11R0.106 COC(=O)CCCNC(=O)CO 188690a_100000184769_100000210174 [0,0,0,0,0,0|3,0,0]=3 100 B11R0.106 COC(=O)CCCSC(C)OC 62a_100009879195_100011218270 [0,0,0,0,0,0|2,0,1]=3 101 B11R0.106 COC(=O)CCCSC(C)OC 62a_100011218270_100009879195 [0,0,0,0,0,0|2,0,1]=3 102 B11R0.106 COC(=O)CCNC[C@@H](C)OC 2230a_100020591295_100000204255 [0,0,0,0,0,0|2,0,1]=3 103 B11R0.106 COC(=O)CCOCC(C)OC 34a_100000690652_100000742370 [0,0,0,0,0,0|2,0,1]=3 104 B11R0.106 COC(=O)CCSCC(=O)OC 62a_100000204255_100000747449 [0,0,0,0,0,0|1,0,0]=1 105 B11R0.106 COC(=O)CCSCC(=O)OC 62a_100000747449_100000204255 [0,0,0,0,0,0|1,0,0]=1 106 B11R0.106 COC(=O)COCCC(=NO)N 34a_100000749954_100000747449 [0,0,0,0,0,0|4,0,0]=4 107 B11R0.106 COC(=O)COCCC(=O)CO 1458a_100000210174_100000090808 [0,0,0,0,0,0|3,0,0]=3 108 B11R0.106 COC(=O)COCCC(C)OC 7a_100000764861_100000747449 [0,0,0,0,0,0|2,0,1]=3 109 B11R0.106 COC(=O)CSCOC(=O)OC 62a_100000747449_100000139417 [0,0,0,0,0,0|2,0,0]=2 110 B11R0.106 COC(=O)NCCCC(=O)CF 1458a_100000753017_100015361967 [0,0,0,0,0,0|3,0,0]=3 111 B10R0.55 C#CC(=O)CCCCC(=O)C 1458a_100000211873_100000735457 [1,0,0,0,0,0|1,0,1]=3 112 B10R0.55 C#CC(=O)CCCOC(=O)C 1458a_100000211873_100000042594 [1,0,0,0,0,0|2,0,1]=4 113 B10R0.55 C#CC(=O)CCCSC(=O)C 1458a_100000211873_100000038929 [1,0,0,0,0,0|2,0,1]=4 114 B10R0.55 C=C(Br)CCOCC(=O)OC 34a_100009813270_100000747449 [1,0,0,0,0,0|2,0,1]=4 115 B10R0.55 C=C(C)CCNCC(=O)NC 2230a_100000693194_100000730704 [1,0,0,0,0,0|3,0,0]=4 116 B10R0.55 C=C(C)CCOCC(=O)CC 34a_100000725409_100000730704 [1,0,0,0,0,0|3,0,0]=4 117 B10R0.55 C=C(C)CCOCC(=O)NC 34a_100000750040_100000730704 [1,0,0,0,0,0|3,0,0]=4 118 B10R0.55 C=C(C)CCOCC(=O)NC 34a_100000764851_100000183359 [1,0,0,0,0,0|3,0,0]=4 119 B10R0.55 C=C(C)CCOCC(=O)OC 34a_100000764851_100000747449 [1,0,0,0,0,0|2,0,0]=3 120 B10R0.55 C=C(C)CCSCC(=O)CC 62a_100000730704_100000747405 [1,0,0,0,0,0|3,0,0]=4 121 B10R0.55 C=C(C)CCSCC(=O)CC 62a_100000747405_100000730704 [1,0,0,0,0,0|3,0,0]=4 122 B10R0.55 C=C(C)CCSCC(=O)NC 62a_100000183359_100000730704 [1,0,0,0,0,0|3,0,0]=4 123 B10R0.55 C=C(C)CCSCC(=O)NC 62a_100000730704_100000183359 [1,0,0,0,0,0|3,0,0]=4 124 B10R0.55 C=C(C)CCSCC(=O)OC 62a_100000730704_100000747449 [1,0,0,0,0,0|2,0,0]=3 125 B10R0.55 C=C(C)CCSCC(=O)OC 62a_100000747449_100000730704 [1,0,0,0,0,0|2,0,0]=3 126 B10R0.55 C=C(C)CNCCC(=O)NC 2230a_100000738227_100000748629 [1,0,0,0,0,0|3,0,0]=4 127 B10R0.55 C=C(C)CNCCC(=O)NC 34a_100000738227_100000748629 [1,0,0,0,0,0|3,0,0]=4 128 B10R0.55 C=C(C)COCCC(=O)NC 34a_100000210245_100012179268 [1,0,0,0,0,0|3,0,0]=4 129 B10R0.55 C=C(C)COCCC(=O)NC 34a_100000754576_100000748629 [1,0,0,0,0,0|3,0,0]=4 130 B10R0.55 C=C(C)COCCC(=O)OC 34a_100000210245_100000742370 [1,0,0,0,0,0|2,0,0]=3 131 B10R0.55 C=C(C)CSCCC(=O)NC 62a_100000737683_100000211660 [1,0,0,0,0,0|3,0,0]=4 132 B10R0.55 C=C(C)CSCCC(=O)NC 62a_100000748629_100000737683 [1,0,0,0,0,0|3,0,0]=4 133 B10R0.55 C=C(C)CSCCC(=O)OC 62a_100000204255_100000211660 [1,0,0,0,0,0|2,0,0]=3 134 B10R0.55 C=C(C)CSCCC(=O)OC 62a_100000748629_100000204255 [1,0,0,0,0,0|2,0,0]=3 135 B10R0.55 C=C(C)CSCOC(=O)OC 62a_100000748629_100000139417 [1,0,0,0,0,0|3,0,0]=4 136 B10R0.55 C=C(F)COCCC(=O)OC 34a_200010262243_100000742370 [1,0,0,0,0,0|2,0,1]=4 137 B10R0.55 C=C(F)CSCCC(=O)OC 62a_100000042424_100000204255 [1,0,0,0,0,0|2,0,1]=4 138 B10R0.55 C=C(F)CSCCC(=O)OC 62a_100000204255_100000042424 [1,0,0,0,0,0|2,0,1]=4 139 B10R0.55 C=CC(=O)CCCCC(=O)C 1458a_100000185746_100000735457 [1,0,0,0,0,0|1,0,1]=3 140 B10R0.55 C=CC(=O)CCCOC(=O)C 1458a_100000185746_100000042594 [1,0,0,0,0,0|2,0,1]=4 141 B10R0.55 C=CC(=O)CCCSC(=O)C 1458a_100000185746_100000038929 [1,0,0,0,0,0|2,0,1]=4 142 B10R0.55 CC(=O)CCCCC(=O)CO 1458a_100000210174_100000735457 [1,0,0,0,0,0|2,0,0]=3 143 B10R0.55 CC(=O)NCCCC(=O)CF 1458a_100000194741_100015361967 [1,0,0,0,0,0|3,0,0]=4 144 B10R0.55 CC(=O)OCCCC(=O)CO 1458a_100000210174_100000042594 [1,0,0,0,0,0|3,0,0]=4 145 B10R0.55 CC(=O)SCCCC(=O)CO 1458a_100000210174_100000038929 [1,0,0,0,0,0|3,0,0]=4 146 B10R0.55 CCC(=O)CCCCB(O)O 1458a_100000210414_200009817182 [1,0,0,0,0,0|2,0,1]=4 147 B10R0.55 CCC(=O)CCCCC(=O)C 1458a_100000210414_100000735457 [1,0,0,0,0,0|1,0,0]=2 148 B10R0.55 CCC(=O)CCCCC(C)C 1458a_100000210414_100011216152 [1,0,0,0,0,0|2,0,1]=4 149 B10R0.55 CCC(=O)CCCCC(C)C 1458a_100011933920_100000210202 [1,0,0,0,0,0|2,0,1]=4 150 B10R0.55 CCC(=O)CCCNC(=O)C 1458a_100000194741_100000210202 [1,0,0,0,0,0|2,0,0]=3 151 B10R0.55 CCC(=O)CCCOC(=O)C 1458a_100000210414_100000042594 [1,0,0,0,0,0|2,0,0]=3 152 B10R0.55 CCC(=O)CCCOC(=S)C 1458a_100000210414_200135323944 [1,0,0,0,0,0|2,1,0]=4 153 B10R0.55 CCC(=O)CCCSC(=O)C 1458a_100000210414_100000038929 [1,0,0,0,0,0|2,0,0]=3 154 B10R0.55 CCC(=O)CCOCC(=O)N 1458a_100000210414_100000076697 [1,0,0,0,0,0|3,0,0]=4 155 B10R0.55 CCC(=O)CCSCC(=O)N 1458a_100000148550_100000210202 [1,0,0,0,0,0|3,0,0]=4 156 B10R0.55 CCC(=O)CNOCC(=O)O 269956a_100000106656_100000747405 [1,0,0,0,0,0|3,0,0]=4 157 B10R0.55 CCC(=O)COCCC(=O)C 7a_100000759926_100000747405 [1,0,0,0,0,0|2,0,0]=3 158 B10R0.55 CCC(=O)COCCC(=O)N 34a_100000725409_100000731001 [1,0,0,0,0,0|3,0,0]=4 159 B10R0.55 CCC(=O)COCCC(=O)N 7a_100000757172_100000747405 [1,0,0,0,0,0|3,0,0]=4 160 B10R0.55 CCC(=O)COCOC(=O)C 34a_100000725409_100009813279 [1,0,0,0,0,0|3,0,0]=4 161 B10R0.55 CCC(=O)CSCCC(=O)C 62a_100000053229_100000747405 [1,0,0,0,0,0|2,0,0]=3 162 B10R0.55 CCC(=O)CSCCC(=O)C 62a_100000747405_100000053229 [1,0,0,0,0,0|2,0,0]=3 163 B10R0.55 CCC(=O)CSCCC(=O)N 62a_100000744528_100000747405 [1,0,0,0,0,0|3,0,0]=4 164 B10R0.55 CCC(=O)CSCCC(=O)N 62a_100000747405_100000744528 [1,0,0,0,0,0|3,0,0]=4 165 B10R0.55 CCC(=O)CSCOC(=O)C 62a_100000076356_100000747405 [1,0,0,0,0,0|3,0,0]=4 166 B10R0.55 CCC(=O)CSCOC(=O)C 62a_100000747405_100000076356 [1,0,0,0,0,0|3,0,0]=4 167 B10R0.55 CCC(=O)NCCCC(=O)N 240690a_100000739312_100000210414 [1,0,0,0,0,0|3,0,0]=4 168 B10R0.55 CCC(=O)NCCCC(=O)N 527a_100000739312_100000210414 [1,0,0,0,0,0|3,0,0]=4 169 B10R0.55 CCC(=O)NCCCS(=O)C 11a_200000753449_100000210414 [1,0,0,0,0,0|3,0,0]=4 170 B10R0.55 CCC(=O)NCCCS(=O)C 240690a_200000753449_100000210414 [1,0,0,0,0,0|3,0,0]=4 171 B10R0.55 CCC(=O)NCCCS(=O)C 527a_200000753449_100000210414 [1,0,0,0,0,0|3,0,0]=4 172 B10R0.55 CCC(=O)NCCNC(=O)C 11a_100132302217_100015343762 [1,0,0,0,0,0|3,0,0]=4 173 B10R0.55 CCC(=O)NCCNC(=O)C 1626a_100132302217_100015343762 [1,0,0,0,0,0|3,0,0]=4 174 B10R0.55 CCC(=O)NCCNC(=O)C 240690a_100000209853_100000210414 [1,0,0,0,0,0|3,0,0]=4 175 B10R0.55 CCC(=O)NCCNC(=O)C 240690a_100132302217_100015343762 [1,0,0,0,0,0|3,0,0]=4 176 B10R0.55 CCC(=O)NCCNC(=O)C 527a_100000209853_100000210414 [1,0,0,0,0,0|3,0,0]=4 177 B10R0.55 CCC(=O)NCCNC(=O)C 527a_100132302217_100103153847 [1,0,0,0,0,0|3,0,0]=4 178 B10R0.55 CCC(=O)NCCOC(=O)C 11a_100000724843_100000210414 [1,0,0,0,0,0|3,0,0]=4 179 B10R0.55 CCC(=O)NCCOC(=O)C 240690a_100000724843_100000210414 [1,0,0,0,0,0|3,0,0]=4 180 B10R0.55 CCC(=O)NCCOC(=O)C 527a_100000724843_100000210414 [1,0,0,0,0,0|3,0,0]=4 181 B10R0.55 CCC(=O)NCCSC(=O)C 11a_100020647217_100000210414 [1,0,0,0,0,0|3,0,0]=4 182 B10R0.55 CCC(=O)NCCSC(=O)C 240690a_100020647217_100000210414 [1,0,0,0,0,0|3,0,0]=4 183 B10R0.55 CCC(=O)NCCSC(=O)C 527a_100020647217_100000210414 [1,0,0,0,0,0|3,0,0]=4 184 B10R0.55 CCN(C)CCCCC(=O)C 269982a_100000225621_100000735457 [1,0,0,0,0,0|3,0,0]=4 185 B10R0.55 CNC(=O)CCCCC(C)C 11a_106832991635_100011933920 [1,0,0,0,0,0|2,0,1]=4 186 B10R0.55 CNC(=O)CCCCC(C)C 1626a_100102657272_100011933920 [1,0,0,0,0,0|2,0,1]=4 187 B10R0.55 CNC(=O)CCCCC(C)C 240690a_100102657272_100011933920 [1,0,0,0,0,0|2,0,1]=4 188 B10R0.55 CNC(=O)CCCCC(C)C 527a_100102657272_100011933920 [1,0,0,0,0,0|2,0,1]=4 189 B10R0.55 CNC(=O)CCCCN(C)C 11a_106832991635_100000751710 [1,0,0,0,0,0|3,0,0]=4 190 B10R0.55 CNC(=O)CCCCN(C)C 240690a_100102657272_100000751710 [1,0,0,0,0,0|3,0,0]=4 191 B10R0.55 CNC(=O)CCCCN(C)C 527a_100102657272_100000751710 [1,0,0,0,0,0|3,0,0]=4 192 B10R0.55 CNC(=O)CCCNC(=O)C 11a_100000740002_100015343762 [1,0,0,0,0,0|2,0,0]=3 193 B10R0.55 CNC(=O)CCCNC(=O)C 11a_106832991635_100000194741 [1,0,0,0,0,0|2,0,0]=3 194 B10R0.55 CNC(=O)CCCNC(=O)C 1626a_100102657272_100000194741 [1,0,0,0,0,0|2,0,0]=3 195 B10R0.55 CNC(=O)CCCNC(=O)C 240690a_100000740002_100015343762 [1,0,0,0,0,0|2,0,0]=3 196 B10R0.55 CNC(=O)CCCNC(=O)C 240690a_100102657272_100000194741 [1,0,0,0,0,0|2,0,0]=3 197 B10R0.55 CNC(=O)CCCNC(=O)C 527a_100000740002_100103153847 [1,0,0,0,0,0|2,0,0]=3 198 B10R0.55 CNC(=O)CCCNC(=O)C 527a_100102657272_100000194741 [1,0,0,0,0,0|2,0,0]=3 199 B10R0.55 CNC(=O)CCNCC(=O)N 2230a_100000711301_100000737683 [1,0,0,0,0,0|3,0,0]=4 200 B10R0.55 CNC(=O)CCNCC(=O)N 2230a_100000738227_100000747473 [1,0,0,0,0,0|3,0,0]=4 201 B10R0.55 CNC(=O)CCNCC(=O)N 34a_100000738227_100000187820 [1,0,0,0,0,0|3,0,0]=4 202 B10R0.55 CNC(=O)CCNCC(=O)O 269956a_100016091260_100000737683 [1,0,0,0,0,0|2,0,0]=3 203 B10R0.55 CNC(=O)CCNCC(=O)[O-] 34a_100000738227_100020667443 [1,0,0,0,0,0|2,0,1]=4 204 B10R0.55 CNC(=O)CCOCC(=O)C 34a_100000211253_100012179268 [1,0,0,0,0,0|2,0,0]=3 205 B10R0.55 CNC(=O)CCOCC(=O)N 34a_100000754576_100000187820 [1,0,0,0,0,0|3,0,0]=4 206 B10R0.55 CNC(=O)CCOCC(=O)[O-] 34a_100000754576_100020667443 [1,0,0,0,0,0|2,0,1]=4 207 B10R0.55 CNC(=O)CCSCC(=O)N 11a_106832991635_100000148550 [1,0,0,0,0,0|3,0,0]=4 208 B10R0.55 CNC(=O)CCSCC(=O)N 240690a_100102657272_100000148550 [1,0,0,0,0,0|3,0,0]=4 209 B10R0.55 CNC(=O)CCSCC(=O)N 527a_100102657272_100000148550 [1,0,0,0,0,0|3,0,0]=4 210 B10R0.55 CNC(=O)CCSCC(=O)N 62a_100000737683_100000747473 [1,0,0,0,0,0|3,0,0]=4 211 B10R0.55 CNC(=O)CCSCC(=O)N 62a_100000747473_100000737683 [1,0,0,0,0,0|3,0,0]=4 212 B10R0.55 CNC(=O)CCSCC(=O)[O-] 62a_100000737683_100020667443 [1,0,0,0,0,0|2,0,1]=4 213 B10R0.55 CNC(=O)CCSCC(=O)[O-] 62a_100020667443_100000737683 [1,0,0,0,0,0|2,0,1]=4 214 B10R0.55 CNC(=O)CNCCC(=O)N 2230a_100000693194_100000744528 [1,0,0,0,0,0|3,0,0]=4 215 B10R0.55 CNC(=O)CNOCC(=O)O 269956a_100000106656_100000183359 [1,0,0,0,0,0|3,0,0]=4 216 B10R0.55 CNC(=O)COCCC(=O)C 34a_100000759926_100000183359 [1,0,0,0,0,0|2,0,0]=3 217 B10R0.55 CNC(=O)COCCC(=O)C 7a_100000759926_100000183359 [1,0,0,0,0,0|2,0,0]=3 218 B10R0.55 CNC(=O)COCCC(=O)N 34a_100000750040_100000731001 [1,0,0,0,0,0|3,0,0]=4 219 B10R0.55 CNC(=O)COCCC(=O)N 34a_100000757172_100000183359 [1,0,0,0,0,0|3,0,0]=4 220 B10R0.55 CNC(=O)COCCC(=O)N 7a_100000757172_100000183359 [1,0,0,0,0,0|3,0,0]=4 221 B10R0.55 CNC(=O)COCOC(=O)C 34a_100000750040_100009813279 [1,0,0,0,0,0|3,0,0]=4 222 B10R0.55 CNC(=O)CSCCC(=O)C 62a_100000053229_100000183359 [1,0,0,0,0,0|2,0,0]=3 223 B10R0.55 CNC(=O)CSCCC(=O)C 62a_100000183359_100000053229 [1,0,0,0,0,0|2,0,0]=3 224 B10R0.55 CNC(=O)CSCCC(=O)N 62a_100000183359_100000744528 [1,0,0,0,0,0|3,0,0]=4 225 B10R0.55 CNC(=O)CSCCC(=O)N 62a_100000744528_100000183359 [1,0,0,0,0,0|3,0,0]=4 226 B10R0.55 CNC(=O)CSCOC(=O)C 62a_100000076356_100000183359 [1,0,0,0,0,0|3,0,0]=4 227 B10R0.55 CNC(=O)CSCOC(=O)C 62a_100000183359_100000076356 [1,0,0,0,0,0|3,0,0]=4 228 B10R0.55 CNC(=O)NCCCC(=O)N 273464a_100000739312_100102657272 [1,0,0,0,0,0|3,0,0]=4 229 B10R0.55 CNC(=O)NCCCC(=O)N 273464a_100102657272_100000739312 [1,0,0,0,0,0|3,0,0]=4 230 B10R0.55 CNC(=O)NCCCC(=O)N 512a_100000739312_100102657272 [1,0,0,0,0,0|3,0,0]=4 231 B10R0.55 CNC(=O)NCCCC(=O)N 512a_106832991638_100000739312 [1,0,0,0,0,0|3,0,0]=4 232 B10R0.55 CNC(=O)NCCCS(=O)C 2708a_100102657272_200000753449 [1,0,0,0,0,0|3,0,0]=4 233 B10R0.55 CNC(=O)NCCCS(=O)C 2708a_200000753449_106832991635 [1,0,0,0,0,0|3,0,0]=4 234 B10R0.55 CNC(=O)NCCCS(=O)C 273464a_100102657272_200000753449 [1,0,0,0,0,0|3,0,0]=4 235 B10R0.55 CNC(=O)NCCCS(=O)C 273464a_200000753449_100102657272 [1,0,0,0,0,0|3,0,0]=4 236 B10R0.55 CNC(=O)NCCCS(=O)C 512a_106832991638_200000753449 [1,0,0,0,0,0|3,0,0]=4 237 B10R0.55 CNC(=O)NCCCS(=O)C 512a_200000753449_100102657272 [1,0,0,0,0,0|3,0,0]=4 238 B10R0.55 CNC(=O)NCCNC(=O)C 11a_100015205895_100015343762 [1,0,0,0,0,0|3,0,0]=4 239 B10R0.55 CNC(=O)NCCNC(=O)C 240690a_100015205895_100015343762 [1,0,0,0,0,0|3,0,0]=4 240 B10R0.55 CNC(=O)NCCNC(=O)C 2708a_100000209853_106832991635 [1,0,0,0,0,0|3,0,0]=4 241 B10R0.55 CNC(=O)NCCNC(=O)C 2708a_100102657272_100000209853 [1,0,0,0,0,0|3,0,0]=4 242 B10R0.55 CNC(=O)NCCNC(=O)C 273464a_100000209853_100102657272 [1,0,0,0,0,0|3,0,0]=4 243 B10R0.55 CNC(=O)NCCNC(=O)C 273464a_100102657272_100000209853 [1,0,0,0,0,0|3,0,0]=4 244 B10R0.55 CNC(=O)NCCNC(=O)C 512a_100000209853_100102657272 [1,0,0,0,0,0|3,0,0]=4 245 B10R0.55 CNC(=O)NCCNC(=O)C 512a_106832991638_100000209853 [1,0,0,0,0,0|3,0,0]=4 246 B10R0.55 CNC(=O)NCCNC(=O)C 527a_100015205895_100103153847 [1,0,0,0,0,0|3,0,0]=4 247 B10R0.55 CNC(=O)NCCOC(=O)C 2708a_100102657272_100000724843 [1,0,0,0,0,0|3,0,0]=4 248 B10R0.55 CNC(=O)NCCOC(=O)C 273464a_100000724843_100102657272 [1,0,0,0,0,0|3,0,0]=4 249 B10R0.55 CNC(=O)NCCOC(=O)C 273464a_100102657272_100000724843 [1,0,0,0,0,0|3,0,0]=4 250 B10R0.55 CNC(=O)NCCOC(=O)C 512a_100000724843_100102657272 [1,0,0,0,0,0|3,0,0]=4 251 B10R0.55 CNC(=O)NCCOC(=O)C 512a_106832991638_100000724843 [1,0,0,0,0,0|3,0,0]=4 252 B10R0.55 CNC(=O)NCCSC(=O)C 2708a_100020647217_106832991635 [1,0,0,0,0,0|3,0,0]=4 253 B10R0.55 CNC(=O)NCCSC(=O)C 2708a_100102657272_100020647217 [1,0,0,0,0,0|3,0,0]=4 254 B10R0.55 CNC(=O)NCCSC(=O)C 273464a_100020647217_100102657272 [1,0,0,0,0,0|3,0,0]=4 255 B10R0.55 CNC(=O)NCCSC(=O)C 273464a_100102657272_100020647217 [1,0,0,0,0,0|3,0,0]=4 256 B10R0.55 CNC(=O)NCCSC(=O)C 512a_100020647217_100102657272 [1,0,0,0,0,0|3,0,0]=4 257 B10R0.55 CNC(=O)NCCSC(=O)C 512a_106832991638_100020647217 [1,0,0,0,0,0|3,0,0]=4 258 B10R0.55 COC(=O)CC=NNC(=O)C 4a_100000189765_200011552997 [1,0,0,0,0,0|2,0,1]=4 259 B10R0.55 COC(=O)CCCCC(=O)C 1458a_100000070787_100000204269 [1,0,0,0,0,0|0,0,0]=1 260 B10R0.55 COC(=O)CCCCC(=O)C 1458a_100000695723_200000210301 [1,0,0,0,0,0|0,0,0]=1 261 B10R0.55 COC(=O)CCCCC(=O)[13CH3] 1458a_100000695723_200025704644 [1,0,0,0,0,0|0,0,0]=1 262 B10R0.55 COC(=O)CCCCN(C)C 2230a_100102631434_100000204269 [1,0,0,0,0,0|2,0,0]=3 263 B10R0.55 COC(=O)CCCCN(C)C 269982a_100102631434_100000204269 [1,0,0,0,0,0|2,0,0]=3 264 B10R0.55 COC(=O)CCCNC(=O)C 188690a_100000184769_100015343762 [1,0,0,0,0,0|1,0,0]=2 265 B10R0.55 COC(=O)CCCNC(C)C 2230a_100138425928_100011218270 [1,0,0,0,0,0|2,0,1]=4 266 B10R0.55 COC(=O)CCCNC(C)C 34a_100138425928_100000742333 [1,0,0,0,0,0|2,0,1]=4 267 B10R0.55 COC(=O)CCCOC(C)C 34a_100000212225_100000742333 [1,0,0,0,0,0|2,0,1]=4 268 B10R0.55 COC(=O)CCCSC(C)C 62a_100000210206_100011218270 [1,0,0,0,0,0|2,0,1]=4 269 B10R0.55 COC(=O)CCCSC(C)C 62a_100011218270_100000210206 [1,0,0,0,0,0|2,0,1]=4 270 B10R0.55 COC(=O)CCNCC(=O)N 2230a_100000711301_100000204255 [1,0,0,0,0,0|2,0,0]=3 271 B10R0.55 COC(=O)CCNCC(=O)O 269956a_100016091260_100000204255 [1,0,0,0,0,0|1,0,0]=2 272 B10R0.55 COC(=O)CCNCC(C)C 2230a_100000210953_100000204255 [1,0,0,0,0,0|2,0,1]=4 273 B10R0.55 COC(=O)CCNCC(C)C 34a_100000210953_100000742370 [1,0,0,0,0,0|2,0,1]=4 274 B10R0.55 COC(=O)CCNCC(C)O 2230a_100000210904_100000204255 [1,0,0,0,0,0|1,0,2]=4 275 B10R0.55 COC(=O)CCNCC(C)O 34a_100000210904_100000742370 [1,0,0,0,0,0|1,0,2]=4 276 B10R0.55 COC(=O)CCOCC(=O)C 34a_100000211253_100000742370 [1,0,0,0,0,0|1,0,0]=2 277 B10R0.55 COC(=O)CCOCC(C)Br 34a_100012180447_100000742370 [1,0,0,0,0,0|2,0,1]=4 278 B10R0.55 COC(=O)CCOCC(C)C 34a_100000210257_100000742370 [1,0,0,0,0,0|2,0,1]=4 279 B10R0.55 COC(=O)CCOCC(C)F 34a_100015925927_100000742370 [1,0,0,0,0,0|2,0,1]=4 280 B10R0.55 COC(=O)CCOC[C@@H](C)Cl 34a_100016084084_100000742370 [1,0,0,0,0,0|2,0,1]=4 281 B10R0.55 COC(=O)CCOC[C@@H](C)N 34a_100000737577_100000742370 [1,0,0,0,0,0|2,0,1]=4 282 B10R0.55 COC(=O)CCSCC(=O)N 62a_100000204255_100000747473 [1,0,0,0,0,0|2,0,0]=3 283 B10R0.55 COC(=O)CCSCC(=O)N 62a_100000747473_100000204255 [1,0,0,0,0,0|2,0,0]=3 284 B10R0.55 COC(=O)CCSCC(=O)[O-] 62a_100000204255_100020667443 [1,0,0,0,0,0|1,0,1]=3 285 B10R0.55 COC(=O)CCSCC(=O)[O-] 62a_100020667443_100000204255 [1,0,0,0,0,0|1,0,1]=3 286 B10R0.55 COC(=O)CCSCC(C)C 62a_100000204255_100000210760 [1,0,0,0,0,0|2,0,1]=4 287 B10R0.55 COC(=O)CCSCC(C)C 62a_100000210624_100000204255 [1,0,0,0,0,0|2,0,1]=4 288 B10R0.55 COC(=O)CCSCC(C)O 62a_100000204255_100011218427 [1,0,0,0,0,0|1,0,2]=4 289 B10R0.55 COC(=O)CCSCC(C)O 62a_100011218427_100000204255 [1,0,0,0,0,0|1,0,2]=4 290 B10R0.55 COC(=O)CCSC[C@@H](C)O 62a_100000204255_100009817552 [1,0,0,0,0,0|1,0,2]=4 291 B10R0.55 COC(=O)CCSC[C@@H](C)O 62a_100009817552_100000204255 [1,0,0,0,0,0|1,0,2]=4 292 B10R0.55 COC(=O)CCSC[N+](=O)[O-] 62a_100000204255_100000761209 [1,0,0,0,0,0|2,0,1]=4 293 B10R0.55 COC(=O)CNCC=C(C)C 34a_100000718196_100000747449 [1,0,0,0,0,0|2,0,1]=4 294 B10R0.55 COC(=O)CNCCC(C)O 2230a_200000755665_100000747449 [1,0,0,0,0,0|1,0,2]=4 295 B10R0.55 COC(=O)CNOCC(=O)O 269956a_100000106656_100000747449 [1,0,0,0,0,0|2,0,0]=3 296 B10R0.55 COC(=O)COCC=C(C)C 34a_100000753907_100000747449 [1,0,0,0,0,0|2,0,1]=4 297 B10R0.55 COC(=O)COCCC(=O)C 1458a_100000070787_100000090808 [1,0,0,0,0,0|1,0,0]=2 298 B10R0.55 COC(=O)COCCC(=O)C 34a_100000759926_100000747449 [1,0,0,0,0,0|1,0,0]=2 299 B10R0.55 COC(=O)COCCC(=O)C 7a_100000759926_100000747449 [1,0,0,0,0,0|1,0,0]=2 300 B10R0.55 COC(=O)COCCC(=O)N 34a_100000757172_100000747449 [1,0,0,0,0,0|2,0,0]=3 301 B10R0.55 COC(=O)COCCC(=O)N 7a_100000757172_100000747449 [1,0,0,0,0,0|2,0,0]=3 302 B10R0.55 COC(=O)COCCC(C)Br 34a_100009893172_100000747449 [1,0,0,0,0,0|2,0,1]=4 303 B10R0.55 COC(=O)COCCC(C)C 34a_100000210254_100000747449 [1,0,0,0,0,0|2,0,1]=4 304 B10R0.55 COC(=O)COCCC(C)C 7a_100000210254_100000747449 [1,0,0,0,0,0|2,0,1]=4 305 B10R0.55 COC(=O)COCCN(C)C 2230a_100102631434_100000090808 [1,0,0,0,0,0|3,0,0]=4 306 B10R0.55 COC(=O)COCC[C@@H](C)N 34a_100000706166_100000747449 [1,0,0,0,0,0|2,0,1]=4 307 B10R0.55 COC(=O)CSCC=C(C)C 62a_100000747449_100000761012 [1,0,0,0,0,0|2,0,1]=4 308 B10R0.55 COC(=O)CSCC=C(C)C 62a_100000761012_100000747449 [1,0,0,0,0,0|2,0,1]=4 309 B10R0.55 COC(=O)CSCCC(=O)C 62a_100000053229_100000747449 [1,0,0,0,0,0|1,0,0]=2 310 B10R0.55 COC(=O)CSCCC(=O)C 62a_100000747449_100000053229 [1,0,0,0,0,0|1,0,0]=2 311 B10R0.55 COC(=O)CSCCC(=O)N 62a_100000744528_100000747449 [1,0,0,0,0,0|2,0,0]=3 312 B10R0.55 COC(=O)CSCCC(=O)N 62a_100000747449_100000744528 [1,0,0,0,0,0|2,0,0]=3 313 B10R0.55 COC(=O)CSCCC(C)C 62a_100000210312_100000747449 [1,0,0,0,0,0|2,0,1]=4 314 B10R0.55 COC(=O)CSCCC(C)C 62a_100000747449_100000210312 [1,0,0,0,0,0|2,0,1]=4 315 B10R0.55 COC(=O)CSCCC(C)O 62a_100000747449_100012276601 [1,0,0,0,0,0|1,0,2]=4 316 B10R0.55 COC(=O)CSCCC(C)O 62a_100012276601_100000747449 [1,0,0,0,0,0|1,0,2]=4 317 B10R0.55 COC(=O)CSCCN(C)C 62a_100000747449_100000755713 [1,0,0,0,0,0|3,0,0]=4 318 B10R0.55 COC(=O)CSCOC(=O)C 62a_100000076356_100000747449 [1,0,0,0,0,0|2,0,0]=3 319 B10R0.55 COC(=O)CSCOC(=O)C 62a_100000747449_100000076356 [1,0,0,0,0,0|2,0,0]=3 320 B10R0.55 COC(=O)NCCCC(=O)C 1458a_100000753017_200000210301 [1,0,0,0,0,0|1,0,0]=2 321 B10R0.55 COC(=O)NCCCC(=O)[13CH3] 1458a_100000753017_200025704644 [1,0,0,0,0,0|1,0,0]=2 322 B10R0.55 COC(=O)OCSCC(=O)N 62a_100000747473_100000139417 [1,0,0,0,0,0|3,0,0]=4 323 B10R0.55 COC(=O)OCSCC(=O)[O-] 62a_100020667443_100000139417 [1,0,0,0,0,0|2,0,1]=4 324 B10R0.55 COC(C)SCCCC(=O)C 62a_100009879195_100011215641 [1,0,0,0,0,0|2,0,1]=4 325 B10R0.55 COC(C)SCCCC(=O)C 62a_100011215641_100009879195 [1,0,0,0,0,0|2,0,1]=4 326 B10R0.74 C/C=C/CCOCC(=O)NC 34a_100016278192_100000183359 [1,0,0,0,0,0|3,0,0]=4 327 B10R0.74 C/C=C/CCOCC(=O)OC 34a_100016278192_100000747449 [1,0,0,0,0,0|2,0,0]=3 328 B10R0.74 C/C=C/CNCCC(=O)NC 34a_100000738227_100102629194 [1,0,0,0,0,0|3,0,0]=4 329 B10R0.74 C/C=C/COCCC(=O)NC 34a_100000754576_100102629194 [1,0,0,0,0,0|3,0,0]=4 330 B10R0.74 C/C=C/COCCC(=O)NC 34a_100016270725_100012179268 [1,0,0,0,0,0|3,0,0]=4 331 B10R0.74 C/C=C/COCCC(=O)OC 34a_100016270725_100000742370 [1,0,0,0,0,0|2,0,0]=3 332 B10R0.74 C/C=C/CSCCC(=O)NC 62a_100000737683_100102629194 [1,0,0,0,0,0|3,0,0]=4 333 B10R0.74 C/C=C/CSCCC(=O)NC 62a_100102629194_100000737683 [1,0,0,0,0,0|3,0,0]=4 334 B10R0.74 C/C=C/CSCCC(=O)OC 62a_100000204255_100102629194 [1,0,0,0,0,0|2,0,0]=3 335 B10R0.74 C/C=C/CSCCC(=O)OC 62a_100102629194_100000204255 [1,0,0,0,0,0|2,0,0]=3 336 B10R0.74 C/C=C/CSCOC(=O)OC 62a_100102629194_100000139417 [1,0,0,0,0,0|3,0,0]=4 337 B10R0.74 CC#CCCOCC(=O)OC 34a_100000750427_100000747449 [1,0,0,0,0,0|2,0,1]=4 338 B10R0.74 CC#CCNCCC(=O)OC 2230a_100000685387_100000204255 [1,0,0,0,0,0|2,0,1]=4 339 B10R0.74 CC#CCNCCC(=O)OC 34a_100000685387_100000742370 [1,0,0,0,0,0|2,0,1]=4 340 B10R0.74 CC#CCOCCC(=O)OC 34a_100000761923_100000742370 [1,0,0,0,0,0|2,0,1]=4 341 B10R0.74 CC#CCSCCC(=O)OC 62a_100000204255_100000748600 [1,0,0,0,0,0|2,0,1]=4 342 B10R0.74 CC#CCSCCC(=O)OC 62a_100000748600_100000204255 [1,0,0,0,0,0|2,0,1]=4 343 B10R0.74 CC/C=C\COCC(=O)OC 34a_100016268518_100000747449 [1,0,0,0,0,0|2,0,1]=4 344 B10R0.74 CC/C=C\CSCC(=O)OC 62a_100000747449_100103147603 [1,0,0,0,0,0|2,0,1]=4 345 B10R0.74 CC/C=C\CSCC(=O)OC 62a_100103147603_100000747449 [1,0,0,0,0,0|2,0,1]=4 346 B10R0.74 CC=CCNCCC(=O)NC 2230a_100000738227_100000070051 [1,0,0,0,0,0|3,0,0]=4 347 B10R0.74 CC=CCNCCC(=O)NC 34a_100000738227_100000070051 [1,0,0,0,0,0|3,0,0]=4 348 B10R0.74 CC=CCOCCC(=O)NC 34a_100000754576_100000070051 [1,0,0,0,0,0|3,0,0]=4 349 B10R0.74 CC=CCSCCC(=O)NC 62a_100000070051_100000737683 [1,0,0,0,0,0|3,0,0]=4 350 B10R0.74 CC=CCSCCC(=O)NC 62a_100000737683_100000070051 [1,0,0,0,0,0|3,0,0]=4 351 B10R0.74 CC=CCSCCC(=O)OC 62a_100000070051_100000204255 [1,0,0,0,0,0|2,0,0]=3 352 B10R0.74 CC=CCSCCC(=O)OC 62a_100000204255_100000070051 [1,0,0,0,0,0|2,0,0]=3 353 B10R0.74 CC=CCSCOC(=O)OC 62a_100000070051_100000139417 [1,0,0,0,0,0|3,0,0]=4 354 B10R0.74 CCC(=O)CCCCCOC 1458a_100011935119_100000210202 [1,0,0,0,0,0|1,0,1]=3 355 B10R0.74 CCC(=O)CCOCCOC 1458a_100000210414_100000695917 [1,0,0,0,0,0|2,0,1]=4 356 B10R0.74 CCC(=O)CCOCCOC 1458a_100000745395_100000210202 [1,0,0,0,0,0|2,0,1]=4 357 B10R0.74 CCC(=O)COCCCOC 34a_100000725409_100000740836 [1,0,0,0,0,0|2,0,1]=4 358 B10R0.74 CCC(=O)CSCCCOC 62a_100000709357_100000747405 [1,0,0,0,0,0|2,0,1]=4 359 B10R0.74 CCC(=O)CSCCCOC 62a_100000747405_100000709357 [1,0,0,0,0,0|2,0,1]=4 360 B10R0.74 CCCCCCCC(=O)CC 1458a_100000210414_100000210614 [1,0,0,0,0,0|2,0,1]=4 361 B10R0.74 CCCCCCCC(=O)CC 1458a_100000211969_100000210202 [1,0,0,0,0,0|2,0,1]=4 362 B10R0.74 CCCCCCCC(=O)NC 11a_106832991635_100000211969 [1,0,0,0,0,0|2,0,1]=4 363 B10R0.74 CCCCCCCC(=O)NC 1626a_100102657272_100000211969 [1,0,0,0,0,0|2,0,1]=4 364 B10R0.74 CCCCCCCC(=O)NC 240690a_100102657272_100000211969 [1,0,0,0,0,0|2,0,1]=4 365 B10R0.74 CCCCCCCC(=O)NC 527a_100102657272_100000211969 [1,0,0,0,0,0|2,0,1]=4 366 B10R0.74 CCCCCNCC(=O)OC 2230a_100000209983_100000747449 [1,0,0,0,0,0|2,0,1]=4 367 B10R0.74 CCCCCOCC(=O)OC 34a_100000210253_100000747449 [1,0,0,0,0,0|2,0,1]=4 368 B10R0.74 CCCCCOCC(=O)OC 7a_100000210253_100000747449 [1,0,0,0,0,0|2,0,1]=4 369 B10R0.74 CCCCCSCC(=O)OC 62a_100000210326_100000747449 [1,0,0,0,0,0|2,0,1]=4 370 B10R0.74 CCCCCSCC(=O)OC 62a_100000747449_100000210326 [1,0,0,0,0,0|2,0,1]=4 371 B10R0.74 CCCCNCCC(=O)OC 2230a_100000102301_100000204255 [1,0,0,0,0,0|2,0,1]=4 372 B10R0.74 CCCCNCCC(=O)OC 7a_106832991798_100000204255 [1,0,0,0,0,0|2,0,1]=4 373 B10R0.74 CCCCOCCC(=O)OC 34a_100000210227_100000742370 [1,0,0,0,0,0|2,0,1]=4 374 B10R0.74 CCCCOCCC(=O)OC 7a_100000210227_100000204255 [1,0,0,0,0,0|2,0,1]=4 375 B10R0.74 CCCCSCCC(=O)OC 62a_100000204255_100000210210 [1,0,0,0,0,0|2,0,1]=4 376 B10R0.74 CCCCSCCC(=O)OC 62a_100000210211_100000204255 [1,0,0,0,0,0|2,0,1]=4 377 B10R0.74 CCCOCCCC(=O)OC 34a_100000210258_100000742333 [1,0,0,0,0,0|2,0,1]=4 378 B10R0.74 CCCSCCCC(=O)OC 62a_100000210303_100011218270 [1,0,0,0,0,0|2,0,1]=4 379 B10R0.74 CCCSCCCC(=O)OC 62a_100011218270_100000210303 [1,0,0,0,0,0|2,0,1]=4 380 B10R0.74 CCNCCCCC(=O)OC 2230a_100015525214_100000204269 [1,0,0,0,0,0|2,0,0]=3 381 B10R0.74 CCNCCOCC(=O)OC 2230a_100015525214_100000090808 [1,0,0,0,0,0|3,0,0]=4 382 B10R0.74 CCOCCCCC(=O)OC 34a_100000059025_100000210202 [1,0,0,0,0,0|2,0,0]=3 383 B10R0.74 CCOCCCCC(=O)OC 34a_100121572206_100000204269 [1,0,0,0,0,0|2,0,0]=3 384 B10R0.74 CCOCCCCC(=O)OC 7a_100000059025_100000210202 [1,0,0,0,0,0|2,0,0]=3 385 B10R0.74 CCOCCNCC(=O)OC 2230a_102516460346_100000747449 [1,0,0,0,0,0|3,0,0]=4 386 B10R0.74 CCOCCNCC(=O)OC 34a_102516460346_100000747449 [1,0,0,0,0,0|3,0,0]=4 387 B10R0.74 CCOCCOCC(=O)OC 34a_100000210136_100000747449 [1,0,0,0,0,0|3,0,0]=4 388 B10R0.74 CCOCCOCC(=O)OC 34a_100121572206_100000090808 [1,0,0,0,0,0|3,0,0]=4 389 B10R0.74 CCOCCOCC(=O)OC 7a_100000210136_100000747449 [1,0,0,0,0,0|3,0,0]=4 390 B10R0.74 CCOCCSCC(=O)OC 62a_100000210147_100000747449 [1,0,0,0,0,0|3,0,0]=4 391 B10R0.74 CCOCCSCC(=O)OC 62a_100000747449_100011215890 [1,0,0,0,0,0|3,0,0]=4 392 B10R0.74 CCOCSCCC(=O)OC 62a_100000204255_100000739092 [1,0,0,0,0,0|3,0,0]=4 393 B10R0.74 CCOCSCCC(=O)OC 62a_100000739092_100000204255 [1,0,0,0,0,0|3,0,0]=4 394 B10R0.74 CCSCCCCC(=O)OC 62a_100000204269_100000210202 [1,0,0,0,0,0|2,0,0]=3 395 B10R0.74 CCSCCCCC(=O)OC 62a_100000210202_100000204269 [1,0,0,0,0,0|2,0,0]=3 396 B10R0.74 CCSCCNCC(=O)OC 2230a_100000106463_100000747449 [1,0,0,0,0,0|3,0,0]=4 397 B10R0.74 CCSCCOCC(=O)OC 34a_100000212035_100000747449 [1,0,0,0,0,0|3,0,0]=4 398 B10R0.74 CCSCCOCC(=O)OC 62a_100000090808_100000210202 [1,0,0,0,0,0|3,0,0]=4 399 B10R0.74 CCSCCOCC(=O)OC 62a_100000210202_100000090808 [1,0,0,0,0,0|3,0,0]=4 400 B10R0.74 CCSCCOCC(=O)OC 7a_100000212035_100000747449 [1,0,0,0,0,0|3,0,0]=4 401 B10R0.74 CCSCCSCC(=O)OC 62a_100000747449_100000757381 [1,0,0,0,0,0|3,0,0]=4 402 B10R0.74 CCSCCSCC(=O)OC 62a_100000757381_100000747449 [1,0,0,0,0,0|3,0,0]=4 403 B10R0.74 CNC(=O)CCCCCOC 11a_106832991635_100011935119 [1,0,0,0,0,0|1,0,1]=3 404 B10R0.74 CNC(=O)CCCCCOC 1626a_100102657272_100011935119 [1,0,0,0,0,0|1,0,1]=3 405 B10R0.74 CNC(=O)CCCCCOC 240690a_100102657272_100011935119 [1,0,0,0,0,0|1,0,1]=3 406 B10R0.74 CNC(=O)CCCCCOC 527a_100102657272_100011935119 [1,0,0,0,0,0|1,0,1]=3 407 B10R0.74 CNC(=O)CCCNCOC 2230a_100000740002_100000766300 [1,0,0,0,0,0|2,0,1]=4 408 B10R0.74 CNC(=O)CCCSCOC 62a_100000741757_100000766300 [1,0,0,0,0,0|2,0,1]=4 409 B10R0.74 CNC(=O)CCCSCOC 62a_100000766300_100000741757 [1,0,0,0,0,0|2,0,1]=4 410 B10R0.74 CNC(=O)CCNCCOC 2230a_100000209980_100000737683 [1,0,0,0,0,0|2,0,1]=4 411 B10R0.74 CNC(=O)CCNCCOC 2230a_100000738227_100011201679 [1,0,0,0,0,0|2,0,1]=4 412 B10R0.74 CNC(=O)CCNCCOC 34a_100000738227_100011201679 [1,0,0,0,0,0|2,0,1]=4 413 B10R0.74 CNC(=O)CCOCCOC 11a_106832991635_100000745395 [1,0,0,0,0,0|2,0,1]=4 414 B10R0.74 CNC(=O)CCOCCOC 1626a_100102657272_100000745395 [1,0,0,0,0,0|2,0,1]=4 415 B10R0.74 CNC(=O)CCOCCOC 240690a_100102657272_100000745395 [1,0,0,0,0,0|2,0,1]=4 416 B10R0.74 CNC(=O)CCOCCOC 34a_100000210237_100012179268 [1,0,0,0,0,0|2,0,1]=4 417 B10R0.74 CNC(=O)CCOCCOC 34a_100000754576_100011201679 [1,0,0,0,0,0|2,0,1]=4 418 B10R0.74 CNC(=O)CCOCCOC 527a_100102657272_100000745395 [1,0,0,0,0,0|2,0,1]=4 419 B10R0.74 CNC(=O)CCSCCOC 62a_100000233755_100000737683 [1,0,0,0,0,0|2,0,1]=4 420 B10R0.74 CNC(=O)CCSCCOC 62a_100000737683_100000233755 [1,0,0,0,0,0|2,0,1]=4 421 B10R0.74 CNC(=O)CNCCCOC 2230a_100000693194_100000740836 [1,0,0,0,0,0|2,0,1]=4 422 B10R0.74 CNC(=O)CNCCCOC 34a_100150723488_100000183359 [1,0,0,0,0,0|2,0,1]=4 423 B10R0.74 CNC(=O)COCCCOC 34a_100000740835_100000183359 [1,0,0,0,0,0|2,0,1]=4 424 B10R0.74 CNC(=O)COCCCOC 34a_100000750040_100000740836 [1,0,0,0,0,0|2,0,1]=4 425 B10R0.74 CNC(=O)CSCCCOC 62a_100000183359_100000709357 [1,0,0,0,0,0|2,0,1]=4 426 B10R0.74 CNC(=O)CSCCCOC 62a_100000709357_100000183359 [1,0,0,0,0,0|2,0,1]=4 427 B10R0.74 CNCCCCCC(=O)OC 2230a_106832991635_100009816466 [1,0,0,0,0,0|1,0,1]=3 428 B10R0.74 CNCCCCCC(=O)OC 34a_100102657272_100009816466 [1,0,0,0,0,0|1,0,1]=3 429 B10R0.74 CNCCCCCC(=O)OC 7a_106832991635_100009816466 [1,0,0,0,0,0|1,0,1]=3 430 B10R0.74 CNCCCOCC(=O)OC 34a_100000213112_100000747449 [1,0,0,0,0,0|2,0,1]=4 431 B10R0.74 COC(=O)CCCCCO[13CH3] 34a_100000074720_200025704644 [1,0,0,0,0,0|0,0,1]=2 432 B10R0.74 COC(=O)CCCCCO[13CH3] 7a_100000074720_200025704644 [1,0,0,0,0,0|0,0,1]=2 433 B10R0.74 COC(=O)CCCCCSC 62a_100009816466_200000210301 [1,0,0,0,0,0|0,1,1]=3 434 B10R0.74 COC(=O)CCCCCSC 62a_200000210301_100009816466 [1,0,0,0,0,0|0,1,1]=3 435 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_100009816466_200025704644 [1,0,0,0,0,0|0,1,1]=3 436 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_200025704644_100009816466 [1,0,0,0,0,0|0,1,1]=3 437 B10R0.74 COC(=O)CCCCOCF 34a_100000059025_100015361967 [1,0,0,0,0,0|3,0,0]=4 438 B10R0.74 COC(=O)CCCCOCF 7a_100000059025_100015361967 [1,0,0,0,0,0|3,0,0]=4 439 B10R0.74 COC(=O)CCCCSCF 62a_100000204269_100015361967 [1,0,0,0,0,0|3,0,0]=4 440 B10R0.74 COC(=O)CCCCSCF 62a_100015361967_100000204269 [1,0,0,0,0,0|3,0,0]=4 441 B10R0.74 COC(=O)CCCSCSC 62a_100011218213_100011218270 [1,0,0,0,0,0|1,1,1]=4 442 B10R0.74 COC(=O)CCCSCSC 62a_100011218270_100011218213 [1,0,0,0,0,0|1,1,1]=4 443 B10R0.74 COC(=O)CCNCCSC 2230a_100020590264_100000204255 [1,0,0,0,0,0|1,1,1]=4 444 B10R0.74 COC(=O)CCOCCON 34a_100000700252_100000742370 [1,0,0,0,0,0|2,0,1]=4 445 B10R0.74 COC(=O)CCOCCSC 34a_100000230434_100000742370 [1,0,0,0,0,0|1,1,1]=4 446 B10R0.74 COC(=O)CCOCCSC 7a_100000230434_100000204255 [1,0,0,0,0,0|1,1,1]=4 447 B10R0.74 COC(=O)CCSCCSC 62a_100000204255_100000751147 [1,0,0,0,0,0|1,1,1]=4 448 B10R0.74 COC(=O)CCSCCSC 62a_100000212216_100000204255 [1,0,0,0,0,0|1,1,1]=4 449 B10R0.74 COC(=O)CNCCCSC 2230a_100000749238_100000747449 [1,0,0,0,0,0|1,1,1]=4 450 B10R0.74 COC(=O)COCCCSC 34a_100000690336_100000747449 [1,0,0,0,0,0|1,1,1]=4 451 B10R0.74 COC(=O)COCCCSC 7a_100000690336_100000747449 [1,0,0,0,0,0|1,1,1]=4 452 B10R0.74 COCCCCCC(=O)CF 1458a_100011935119_100015361967 [1,0,0,0,0,0|2,0,1]=4 453 B10R0.74 COCCCCCC(=O)OC 34a_100000074720_200000210301 [1,0,0,0,0,0|0,0,1]=2 454 B10R0.74 COCCCCCC(=O)OC 34a_100138415774_100009816466 [1,0,0,0,0,0|0,0,1]=2 455 B10R0.74 COCCCCCC(=O)OC 7a_100000074720_200000210301 [1,0,0,0,0,0|0,0,1]=2 456 B10R0.74 COCCCNCC(=O)OC 34a_100150723488_100000747449 [1,0,0,0,0,0|1,0,1]=3 457 B10R0.74 COCCCOCC(=O)OC 34a_100000740835_100000747449 [1,0,0,0,0,0|1,0,1]=3 458 B10R0.74 COCCCSCC(=O)OC 62a_100000709357_100000747449 [1,0,0,0,0,0|1,0,1]=3 459 B10R0.74 COCCCSCC(=O)OC 62a_100000747449_100000709357 [1,0,0,0,0,0|1,0,1]=3 460 B10R0.74 COCCNCCC(=O)OC 2230a_100000209980_100000204255 [1,0,0,0,0,0|1,0,1]=3 461 B10R0.74 COCCOCCC(=O)OC 34a_100000210237_100000742370 [1,0,0,0,0,0|1,0,1]=3 462 B10R0.74 COCCSCCC(=O)OC 62a_100000204255_100000233755 [1,0,0,0,0,0|1,0,1]=3 463 B10R0.74 COCCSCCC(=O)OC 62a_100000233755_100000204255 [1,0,0,0,0,0|1,0,1]=3 464 B10R0.74 COCCSCOC(=O)OC 62a_100000233755_100000139417 [1,0,0,0,0,0|2,0,1]=4 465 B10R0.74 COCSCCCC(=O)OC 62a_100000766300_100011218270 [1,0,0,0,0,0|1,0,1]=3 466 B10R0.74 COCSCCCC(=O)OC 62a_100011218270_100000766300 [1,0,0,0,0,0|1,0,1]=3 467 B12R0.130 CCC(COCCC(=O)OC)OC 34a_100011934954_100000742370 [0,1,0,0,0,0|2,0,1]=4 468 B12R0.130 CCC(COCCC(=O)OC)OC 7a_100011934954_100000204255 [0,1,0,0,0,0|2,0,1]=4 469 B12R0.130 CCN(CC)CCCCC(=O)OC 2230a_100000724800_100000204269 [0,1,0,0,0,0|3,0,0]=4 470 B12R0.130 CCN(CC)CCCCC(=O)OC 269956a_100000042499_100000204269 [0,1,0,0,0,0|3,0,0]=4 471 B12R0.130 CCN(CC)CCCCC(=O)OC 269982a_100000724800_100000204269 [0,1,0,0,0,0|3,0,0]=4 472 B12R0.130 COC(=O)CCOCC(OC)OC 34a_100011216393_100000742370 [0,1,0,0,0,0|1,0,2]=4 473 B12R0.130 COC(=O)CCSCC(OC)OC 62a_100000204255_100000751394 [0,1,0,0,0,0|1,0,2]=4 474 B12R0.130 COC(=O)CCSCC(OC)OC 62a_100000751394_100000204255 [0,1,0,0,0,0|1,0,2]=4 475 B12R0.130 COC(=O)CSCCC(OC)OC 62a_100000139399_100000747449 [0,1,0,0,0,0|1,0,2]=4 476 B12R0.130 COC(=O)CSCCC(OC)OC 62a_100000747449_100000139399 [0,1,0,0,0,0|1,0,2]=4 477 B12R0.131 CCS(=O)(=O)CCNCC(=O)OC 2230a_100000751051_100000747449 [0,1,0,0,0,0|3,0,0]=4 478 B12R0.131 CCS(=O)(=O)CCNCC(=O)OC 34a_100000751051_100000747449 [0,1,0,0,0,0|3,0,0]=4 479 B12R0.131 CCS(=O)(=O)CCOCC(=O)OC 34a_200011216379_100000747449 [0,1,0,0,0,0|3,0,0]=4 480 B12R0.131 CCS(=O)(=O)CCOCC(=O)OC 7a_200011216379_100000747449 [0,1,0,0,0,0|3,0,0]=4 481 B12R0.131 CCS(=O)(=O)CCSCC(=O)OC 62a_100000747449_100000756660 [0,1,0,0,0,0|3,0,0]=4 482 B12R0.131 CCS(=O)(=O)CCSCC(=O)OC 62a_100000756660_100000747449 [0,1,0,0,0,0|3,0,0]=4 483 B12R0.131 CNS(=O)(=O)CCCCC(=O)OC 270084a_100102657272_100000055593 [0,1,0,0,0,0|2,0,0]=3 484 B12R0.131 CNS(=O)(=O)CCCCC(=O)OC 274078a_100102657272_100000055593 [0,1,0,0,0,0|2,0,0]=3 485 B12R0.131 CNS(=O)(=O)CCNCC(=O)OC 2230a_100000710037_100000747449 [0,1,0,0,0,0|3,0,0]=4 486 B12R0.131 CNS(=O)(=O)CCNCC(=O)OC 34a_100000710037_100000747449 [0,1,0,0,0,0|3,0,0]=4 487 B12R0.131 COC(=O)CCNCC(C)(C)OC 2230a_100000763424_100000204255 [0,1,0,0,0,0|2,0,1]=4 488 B12R0.131 COC(=O)CCSCC(C)(C)OC 62a_100000204255_100000701081 [0,1,0,0,0,0|2,0,1]=4 489 B12R0.131 COC(=O)CCSCC(C)(C)OC 62a_100000701081_100000204255 [0,1,0,0,0,0|2,0,1]=4 490 B12R0.131 COC(=O)COCCC(C)(C)OC 7a_100000699976_100000747449 [0,1,0,0,0,0|2,0,1]=4 491 B12R0.147 C#CC(=O)CC(=O)CCC(=O)OC 1458a_100000211873_100000691467 [0,1,0,0,0,0|1,0,2]=4 492 B12R0.147 C=CC(=O)CC(=O)CCC(=O)OC 1458a_100000185746_100000691467 [0,1,0,0,0,0|1,0,2]=4 493 B12R0.147 CCC(=O)CC(=O)CCC(=O)NC 1458a_100011309844_100000747405 [0,1,0,0,0,0|2,0,1]=4 494 B12R0.147 CCC(=O)CC(=O)CCC(=O)OC 1458a_100000187943_100000747405 [0,1,0,0,0,0|1,0,1]=3 495 B12R0.147 CCC(=O)CC(=O)CCC(=O)OC 1458a_100000210414_100000691467 [0,1,0,0,0,0|1,0,1]=3 496 B12R0.147 CCC(=O)CC(=O)CNC(=O)OC 1458a_100000215747_100000747405 [0,1,0,0,0,0|2,0,1]=4 497 B12R0.147 CCC(=O)CC(=O)NCC(=O)OC 1458a_100000210414_100000182966 [0,1,0,0,0,0|2,0,1]=4 498 B12R0.147 CCC(=O)CN(C)CCC(=O)NC 269982a_100000750875_100000747405 [0,1,0,0,0,0|3,0,0]=4 499 B12R0.147 CCC(=O)CN(C)CCC(=O)OC 269982a_100025711912_100000747405 [0,1,0,0,0,0|2,0,0]=3 500 B12R0.147 CCC(=O)COC(C)CC(=O)OC 34a_100000725409_100009817358 [0,1,0,0,0,0|2,0,0]=3 501 B12R0.147 CCC(=O)CSC(C)CC(=O)OC 62a_100000747405_100009817358 [0,1,0,0,0,0|2,0,0]=3 502 B12R0.147 CCC(=O)CSC(C)CC(=O)OC 62a_100009817358_100000747405 [0,1,0,0,0,0|2,0,0]=3 503 B12R0.147 CCC(=O)NCC(=O)CC(=O)OC 1458a_100000194589_100000747449 [0,1,0,0,0,0|2,0,1]=4 504 B12R0.147 CCC(=O)NCC(O)CC(=O)OC 188690a_100025770978_100000210414 [0,1,0,0,0,0|2,0,0]=3 505 B12R0.147 CCS(=O)CCC(=O)CC(=O)OC 1458a_100011387550_100000747449 [0,1,0,0,0,0|2,0,1]=4 506 B12R0.147 CNC(=O)CC(=O)CCC(=O)OC 1458a_100000187943_100000183359 [0,1,0,0,0,0|1,0,1]=3 507 B12R0.147 CNC(=O)CC(=O)CNC(=O)OC 1458a_100000215747_100000183359 [0,1,0,0,0,0|2,0,1]=4 508 B12R0.147 CNC(=O)CCC(=O)CC(=O)NC 1458a_100011309844_100000183359 [0,1,0,0,0,0|2,0,1]=4 509 B12R0.147 CNC(=O)CCC(=O)CC(=O)OC 1458a_100011309844_100000747449 [0,1,0,0,0,0|1,0,1]=3 510 B12R0.147 CNC(=O)CCN(C)CC(=O)NC 2230a_100000189611_100000737683 [0,1,0,0,0,0|3,0,0]=4 511 B12R0.147 CNC(=O)CCN(C)CC(=O)NC 2230a_100000750875_100000183359 [0,1,0,0,0,0|3,0,0]=4 512 B12R0.147 CNC(=O)CCN(C)CC(=O)NC 269982a_100000750875_100000183359 [0,1,0,0,0,0|3,0,0]=4 513 B12R0.147 CNC(=O)CCN(C)CC(=O)OC 2230a_100000198492_100000737683 [0,1,0,0,0,0|2,0,0]=3 514 B12R0.147 CNC(=O)CCN(C)CC(=O)OC 2230a_100000750875_100000747449 [0,1,0,0,0,0|2,0,0]=3 515 B12R0.147 CNC(=O)CCN(C)CC(=O)OC 269982a_100000750875_100000747449 [0,1,0,0,0,0|2,0,0]=3 516 B12R0.147 CNC(=O)CN(C)CCC(=O)OC 2230a_100000189611_100000204255 [0,1,0,0,0,0|2,0,0]=3 517 B12R0.147 CNC(=O)CN(C)CCC(=O)OC 269982a_100025711912_100000183359 [0,1,0,0,0,0|2,0,0]=3 518 B12R0.147 CNC(=O)CNC(=O)CC(=O)OC 240690a_100000693194_100000211351 [0,1,0,0,0,0|2,0,1]=4 519 B12R0.147 CNC(=O)CNC(C)CC(=O)OC 2230a_100000693194_100009817358 [0,1,0,0,0,0|2,0,0]=3 520 B12R0.147 CNC(=O)COC(C)CC(=O)OC 34a_100000750040_100009817358 [0,1,0,0,0,0|2,0,0]=3 521 B12R0.147 CNC(=O)CSC(C)CC(=O)OC 62a_100000183359_100009817358 [0,1,0,0,0,0|2,0,0]=3 522 B12R0.147 CNC(=O)CSC(C)CC(=O)OC 62a_100009817358_100000183359 [0,1,0,0,0,0|2,0,0]=3 523 B12R0.147 COC(=O)CC(=O)CNC(=O)OC 1458a_100000215747_100000747449 [0,1,0,0,0,0|1,0,1]=3 524 B12R0.147 COC(=O)CC(C)NC[C@@H](C)OC 2230a_100020591295_100009817358 [0,1,0,0,0,0|2,0,1]=4 525 B12R0.147 COC(=O)CC(C)OCC(C)OC 34a_100000690652_100009817358 [0,1,0,0,0,0|2,0,1]=4 526 B12R0.147 COC(=O)CC(O)CNC(=O)CO 188690a_100025770978_100000210174 [0,1,0,0,0,0|3,0,0]=4 527 B12R0.147 COC(=O)CCC(=O)CC(=O)CO 1458a_100000210174_100000691467 [0,1,0,0,0,0|2,0,1]=4 528 B12R0.147 COC(=O)CCC(=O)CC(=O)OC 1458a_100000187943_100000747449 [0,1,0,0,0,0|0,0,1]=2 529 B12R0.147 COC(=O)CCN(C)CC(=O)OC 2230a_100000198492_100000204255 [0,1,0,0,0,0|1,0,0]=2 530 B12R0.147 COC(=O)CCN(C)CC(=O)OC 269982a_100025711912_100000747449 [0,1,0,0,0,0|1,0,0]=2 531 B12R0.147 COC(=O)CNC(=O)CC(=O)OC 188690a_100000185156_100000211351 [0,1,0,0,0,0|1,0,1]=3 532 B12R0.147 COC(=O)CSC(C)CC(=O)OC 62a_100000747449_100009817358 [0,1,0,0,0,0|1,0,0]=2 533 B12R0.147 COC(=O)CSC(C)CC(=O)OC 62a_100009817358_100000747449 [0,1,0,0,0,0|1,0,0]=2 534 B12R0.147 COC(=O)C[C@@H](O)CSC(C)OC 62a_100000754131_100009879195 [0,1,0,0,0,0|2,0,1]=4 535 B12R0.147 COC(=O)C[C@@H](O)CSC(C)OC 62a_100009879195_100000754131 [0,1,0,0,0,0|2,0,1]=4 536 B12R0.156 C/C=C(\C)/C(=O)CCCC(=O)OC 1458a_100020587367_100011218270 [0,1,0,0,0,0|2,0,1]=4 537 B12R0.156 C=C(COCC(=O)CC)C(=O)OC 34a_100000725409_100009813391 [0,1,0,0,0,0|2,0,1]=4 538 B12R0.156 C=C(COCC(=O)NC)C(=O)OC 34a_100000750040_100009813391 [0,1,0,0,0,0|2,0,1]=4 539 B12R0.156 C=C(CSCC(=O)CC)C(=O)OC 62a_100000747405_100009813391 [0,1,0,0,0,0|2,0,1]=4 540 B12R0.156 C=C(CSCC(=O)CC)C(=O)OC 62a_100009813391_100000747405 [0,1,0,0,0,0|2,0,1]=4 541 B12R0.156 C=C(CSCC(=O)NC)C(=O)OC 62a_100000183359_100009813391 [0,1,0,0,0,0|2,0,1]=4 542 B12R0.156 C=C(CSCC(=O)NC)C(=O)OC 62a_100009813391_100000183359 [0,1,0,0,0,0|2,0,1]=4 543 B12R0.156 C=C(CSCC(=O)OC)C(=O)OC 62a_100000747449_100009813391 [0,1,0,0,0,0|1,0,1]=3 544 B12R0.156 C=C(CSCC(=O)OC)C(=O)OC 62a_100009813391_100000747449 [0,1,0,0,0,0|1,0,1]=3 545 B12R0.156 C=CC(=O)N(C)CCCC(=O)OC 240690a_100000739225_200121576911 [0,1,0,0,0,0|2,0,1]=4 546 B12R0.156 CCC(=O)C(C)NCCC(=O)NC 2230a_100000738227_100000742827 [0,1,0,0,0,0|3,0,0]=4 547 B12R0.156 CCC(=O)C(C)SCCC(=O)NC 62a_100000737683_100000742827 [0,1,0,0,0,0|3,0,0]=4 548 B12R0.156 CCC(=O)C(C)SCCC(=O)NC 62a_100000742827_100000737683 [0,1,0,0,0,0|3,0,0]=4 549 B12R0.156 CCC(=O)C(C)SCCC(=O)OC 62a_100000204255_100000742827 [0,1,0,0,0,0|2,0,0]=3 550 B12R0.156 CCC(=O)C(C)SCCC(=O)OC 62a_100000742827_100000204255 [0,1,0,0,0,0|2,0,0]=3 551 B12R0.156 CCC(=O)C(C)SCOC(=O)OC 62a_100000742827_100000139417 [0,1,0,0,0,0|3,0,0]=4 552 B12R0.156 CCC(=O)CCCN(C)C(=O)OC 1458a_100000752137_100000210202 [0,1,0,0,0,0|2,0,0]=3 553 B12R0.156 CCC(=O)COCC(=O)C(=O)OC 34a_100000725409_100011610305 [0,1,0,0,0,0|2,0,1]=4 554 B12R0.156 CCC(=O)COCC(C)C(=O)OC 34a_100000725409_100000698445 [0,1,0,0,0,0|2,0,0]=3 555 B12R0.156 CCC(=O)COCC(C)C(=O)OC 7a_100000749362_100000747405 [0,1,0,0,0,0|2,0,0]=3 556 B12R0.156 CCC(=O)CSCC(=O)C(=O)OC 62a_100000747405_100011610305 [0,1,0,0,0,0|2,0,1]=4 557 B12R0.156 CCC(=O)CSCC(=O)C(=O)OC 62a_100011610305_100000747405 [0,1,0,0,0,0|2,0,1]=4 558 B12R0.156 CCC(=O)CSCC(C)C(=O)OC 62a_100000698445_100000747405 [0,1,0,0,0,0|2,0,0]=3 559 B12R0.156 CCC(=O)CSCC(C)C(=O)OC 62a_100000747405_100000698445 [0,1,0,0,0,0|2,0,0]=3 560 B12R0.156 CCC(=O)N(C)CCCC(=O)OC 240690a_100000739225_100000210414 [0,1,0,0,0,0|2,0,0]=3 561 B12R0.156 CCC(=O)N(C)CCCC(=O)OC 527a_100000739225_100000210414 [0,1,0,0,0,0|2,0,0]=3 562 B12R0.156 CNC(=O)C(=O)CCCC(=O)OC 1458a_100011218921_100011218270 [0,1,0,0,0,0|1,0,1]=3 563 B12R0.156 CNC(=O)C(C)CNCC(=O)OC 2230a_100015187722_100000747449 [0,1,0,0,0,0|2,0,0]=3 564 B12R0.156 CNC(=O)C(C)CNCC(=O)OC 34a_100015187722_100000747449 [0,1,0,0,0,0|2,0,0]=3 565 B12R0.156 CNC(=O)C(C)SCCC(=O)OC 62a_100000204255_100000731044 [0,1,0,0,0,0|2,0,0]=3 566 B12R0.156 CNC(=O)C(C)SCCC(=O)OC 62a_100000209862_100000204255 [0,1,0,0,0,0|2,0,0]=3 567 B12R0.156 CNC(=O)C(C)SCOC(=O)OC 62a_100000209862_100000139417 [0,1,0,0,0,0|3,0,0]=4 568 B12R0.156 CNC(=O)C(F)SCCC(=O)OC 62a_100000204255_100009813575 [0,1,0,0,0,0|2,0,0]=3 569 B12R0.156 CNC(=O)C(F)SCCC(=O)OC 62a_100009813575_100000204255 [0,1,0,0,0,0|2,0,0]=3 570 B12R0.156 CNC(=O)C(F)SCOC(=O)OC 62a_100009813575_100000139417 [0,1,0,0,0,0|3,0,0]=4 571 B12R0.156 CNC(=O)CCCC(=O)C(=O)NC 1458a_100011218921_100000741757 [0,1,0,0,0,0|2,0,1]=4 572 B12R0.156 CNC(=O)CCCN(C)C(=O)OC 11a_106832991635_100000752137 [0,1,0,0,0,0|2,0,0]=3 573 B12R0.156 CNC(=O)CCCN(C)C(=O)OC 1626a_100102657272_100000752137 [0,1,0,0,0,0|2,0,0]=3 574 B12R0.156 CNC(=O)CCCN(C)C(=O)OC 240690a_100102657272_100000752137 [0,1,0,0,0,0|2,0,0]=3 575 B12R0.156 CNC(=O)CCCN(C)C(=O)OC 527a_100102657272_100000752137 [0,1,0,0,0,0|2,0,0]=3 576 B12R0.156 CNC(=O)CCNC(=O)C(=O)OC 11a_100000738227_100000024059 [0,1,0,0,0,0|2,0,1]=4 577 B12R0.156 CNC(=O)CCNC(=O)C(=O)OC 240690a_100000738227_100000024059 [0,1,0,0,0,0|2,0,1]=4 578 B12R0.156 CNC(=O)CCNC(=O)C(=O)OC 527a_100000738227_100000024059 [0,1,0,0,0,0|2,0,1]=4 579 B12R0.156 CNC(=O)CCNC(C)C(=O)NC 2230a_100000738227_100000731044 [0,1,0,0,0,0|3,0,0]=4 580 B12R0.156 CNC(=O)CCNC(C)C(=O)NC 34a_100000738227_100000731044 [0,1,0,0,0,0|3,0,0]=4 581 B12R0.156 CNC(=O)CCNC(C)C(=O)OC 2230a_100000738227_100000211248 [0,1,0,0,0,0|2,0,0]=3 582 B12R0.156 CNC(=O)CCNC(C)C(=O)OC 34a_100000738227_100000211248 [0,1,0,0,0,0|2,0,0]=3 583 B12R0.156 CNC(=O)CCNC(F)C(=O)NC 2230a_100000738227_100009813575 [0,1,0,0,0,0|3,0,0]=4 584 B12R0.156 CNC(=O)CCNC(F)C(=O)NC 34a_100000738227_100009813575 [0,1,0,0,0,0|3,0,0]=4 585 B12R0.156 CNC(=O)CCN[C@H](C)C(=O)NC 2230a_100000684985_100000737683 [0,1,0,0,0,0|3,0,0]=4 586 B12R0.156 CNC(=O)CCN[C@H](C)C(=O)NC 34a_100000684985_100012179268 [0,1,0,0,0,0|3,0,0]=4 587 B12R0.156 CNC(=O)CCOC(C)C(=O)NC 34a_100000754576_100000731044 [0,1,0,0,0,0|3,0,0]=4 588 B12R0.156 CNC(=O)CCOC(C)C(=O)OC 34a_100000754576_100000211248 [0,1,0,0,0,0|2,0,0]=3 589 B12R0.156 CNC(=O)CCOC(C)C(=O)OC 34a_100011215400_100012179268 [0,1,0,0,0,0|2,0,0]=3 590 B12R0.156 CNC(=O)CCOC(F)C(=O)NC 34a_100000754576_100009813575 [0,1,0,0,0,0|3,0,0]=4 591 B12R0.156 CNC(=O)CCSC(C)C(=O)NC 62a_100000209862_100000737683 [0,1,0,0,0,0|3,0,0]=4 592 B12R0.156 CNC(=O)CCSC(C)C(=O)NC 62a_100000737683_100000731044 [0,1,0,0,0,0|3,0,0]=4 593 B12R0.156 CNC(=O)CCSC(C)C(=O)OC 62a_100000211248_100000737683 [0,1,0,0,0,0|2,0,0]=3 594 B12R0.156 CNC(=O)CCSC(C)C(=O)OC 62a_100000737683_100000211248 [0,1,0,0,0,0|2,0,0]=3 595 B12R0.156 CNC(=O)CCSC(F)C(=O)NC 62a_100000737683_100009813575 [0,1,0,0,0,0|3,0,0]=4 596 B12R0.156 CNC(=O)CCSC(F)C(=O)NC 62a_100009813575_100000737683 [0,1,0,0,0,0|3,0,0]=4 597 B12R0.156 CNC(=O)CNCC(C)C(=O)NC 2230a_100015187722_100000183359 [0,1,0,0,0,0|3,0,0]=4 598 B12R0.156 CNC(=O)CNCC(C)C(=O)NC 34a_100015187722_100000183359 [0,1,0,0,0,0|3,0,0]=4 599 B12R0.156 CNC(=O)COCC(=O)C(=O)OC 34a_100000750040_100011610305 [0,1,0,0,0,0|2,0,1]=4 600 B12R0.156 CNC(=O)COCC(C)C(=O)OC 34a_100000749362_100000183359 [0,1,0,0,0,0|2,0,0]=3 601 B12R0.156 CNC(=O)COCC(C)C(=O)OC 34a_100000750040_100000698445 [0,1,0,0,0,0|2,0,0]=3 602 B12R0.156 CNC(=O)COCC(C)C(=O)OC 7a_100000749362_100000183359 [0,1,0,0,0,0|2,0,0]=3 603 B12R0.156 CNC(=O)COCC(F)C(=O)OC 34a_200009849844_100000183359 [0,1,0,0,0,0|2,0,0]=3 604 B12R0.156 CNC(=O)COC[C@@H](N)C(=O)OC 34a_100000003586_100000183359 [0,1,0,0,0,0|2,0,0]=3 605 B12R0.156 CNC(=O)CSCC(=O)C(=O)OC 62a_100000183359_100011610305 [0,1,0,0,0,0|2,0,1]=4 606 B12R0.156 CNC(=O)CSCC(=O)C(=O)OC 62a_100011610305_100000183359 [0,1,0,0,0,0|2,0,1]=4 607 B12R0.156 CNC(=O)CSCC(C)C(=O)OC 62a_100000183359_100000698445 [0,1,0,0,0,0|2,0,0]=3 608 B12R0.156 CNC(=O)CSCC(C)C(=O)OC 62a_100000698445_100000183359 [0,1,0,0,0,0|2,0,0]=3 609 B12R0.156 CNC(=O)N(C)CCCC(=O)OC 273464a_100102657272_100000739225 [0,1,0,0,0,0|2,0,0]=3 610 B12R0.156 CNC(=O)[C@@H](C)NCCC(=O)OC 2230a_100000684985_100000204255 [0,1,0,0,0,0|2,0,0]=3 611 B12R0.156 CNC(=O)[C@@H](C)NCCC(=O)OC 34a_100000684985_100000742370 [0,1,0,0,0,0|2,0,0]=3 612 B12R0.156 COC(=O)C(C)CCSC(C)OC 62a_100000034942_100009879195 [0,1,0,0,0,0|2,0,1]=4 613 B12R0.156 COC(=O)C(C)CCSC(C)OC 62a_100009879195_100000034942 [0,1,0,0,0,0|2,0,1]=4 614 B12R0.156 COC(=O)C(C)COCC(C)OC 34a_100000690652_100000698445 [0,1,0,0,0,0|2,0,1]=4 615 B12R0.156 COC(=O)C(C)OCCC(C)OC 7a_100000764861_100000211248 [0,1,0,0,0,0|2,0,1]=4 616 B12R0.156 COC(=O)CCCC(=O)C(C)OC 1458a_100000743197_100011218270 [0,1,0,0,0,0|1,0,2]=4 617 B12R0.156 COC(=O)CCCN(C)C(=O)CO 240690a_100000739225_100000210174 [0,1,0,0,0,0|3,0,0]=4 618 B12R0.156 COC(=O)CCCN(C)C(=O)CO 527a_100000739225_100000210174 [0,1,0,0,0,0|3,0,0]=4 619 B12R0.156 COC(=O)CCCN(C)C(C)OC 269982a_100000739225_100009879195 [0,1,0,0,0,0|2,0,1]=4 620 B12R0.156 COC(=O)CCOC(C)C(=O)NN 34a_100000725659_100000742370 [0,1,0,0,0,0|3,0,0]=4 621 B12R0.156 COC(=O)CCOC(C)C(=O)OC 34a_100011215400_100000742370 [0,1,0,0,0,0|1,0,0]=2 622 B12R0.156 COC(=O)CCSC(C)C(=O)OC 62a_100000204255_100000211248 [0,1,0,0,0,0|1,0,0]=2 623 B12R0.156 COC(=O)CCSC(C)C(=O)OC 62a_100000211248_100000204255 [0,1,0,0,0,0|1,0,0]=2 624 B12R0.156 COC(=O)COCC(C)C(=O)OC 34a_100000749362_100000747449 [0,1,0,0,0,0|1,0,0]=2 625 B12R0.156 COC(=O)COCC(C)C(=O)OC 7a_100000749362_100000747449 [0,1,0,0,0,0|1,0,0]=2 626 B12R0.156 COC(=O)COCC(F)C(=O)OC 34a_200009849844_100000747449 [0,1,0,0,0,0|1,0,0]=2 627 B12R0.156 COC(=O)COCC(N)C(=O)NN 34a_100016989258_100000747449 [0,1,0,0,0,0|3,0,0]=4 628 B12R0.156 COC(=O)COC[C@@H](N)C(=O)OC 34a_100000003586_100000747449 [0,1,0,0,0,0|1,0,0]=2 629 B12R0.156 COC(=O)CSCC(=O)C(=O)OC 62a_100000747449_100011610305 [0,1,0,0,0,0|1,0,1]=3 630 B12R0.156 COC(=O)CSCC(=O)C(=O)OC 62a_100011610305_100000747449 [0,1,0,0,0,0|1,0,1]=3 631 B12R0.156 COC(=O)CSCC(C)C(=O)OC 62a_100000698445_100000747449 [0,1,0,0,0,0|1,0,0]=2 632 B12R0.156 COC(=O)CSCC(C)C(=O)OC 62a_100000747449_100000698445 [0,1,0,0,0,0|1,0,0]=2 633 B12R0.156 COC(=O)N(C)CCCC(=O)CF 1458a_100000752137_100015361967 [0,1,0,0,0,0|3,0,0]=4 634 B12R0.156 COC(=O)OCSC(C)C(=O)OC 62a_100000211248_100000139417 [0,1,0,0,0,0|2,0,0]=3 635 B12R0.186 C#CC(=O)CCCCC(=O)N(C)C 1458a_100000211873_100000752486 [0,1,0,0,0,0|2,0,1]=4 636 B12R0.186 C=C(C)C(=O)CCCCC(=O)OC 1458a_100000185857_100000204269 [0,1,0,0,0,0|1,0,0]=2 637 B12R0.186 C=C(C)C(=O)CCOCC(=O)OC 1458a_100000185857_100000090808 [0,1,0,0,0,0|2,0,0]=3 638 B12R0.186 C=C(C)C(=O)NCCCC(=O)NC 11a_100000740002_100000185857 [0,1,0,0,0,0|3,0,0]=4 639 B12R0.186 C=C(C)C(=O)NCCCC(=O)OC 188690a_100000184769_100000185857 [0,1,0,0,0,0|2,0,0]=3 640 B12R0.186 C=CC(=O)CCCCC(=O)N(C)C 1458a_100000185746_100000752486 [0,1,0,0,0,0|2,0,1]=4 641 B12R0.186 CCC(=O)CCCCC(=O)N(C)C 1458a_100000210414_100000752486 [0,1,0,0,0,0|2,0,0]=3 642 B12R0.186 CCC(=O)CSCCC(=O)N(C)C 62a_100000737620_100000747405 [0,1,0,0,0,0|3,0,0]=4 643 B12R0.186 CCC(=O)CSCCC(=O)N(C)C 62a_100000747405_100000737620 [0,1,0,0,0,0|3,0,0]=4 644 B12R0.186 CCC(=O)NCCCC(=O)N(C)C 11a_200000744827_100000210414 [0,1,0,0,0,0|3,0,0]=4 645 B12R0.186 CCC(=O)NCCCC(=O)N(C)C 240690a_200000744827_100000210414 [0,1,0,0,0,0|3,0,0]=4 646 B12R0.186 CCC(=O)NCCCC(=O)N(C)C 527a_200000744827_100000210414 [0,1,0,0,0,0|3,0,0]=4 647 B12R0.186 CN(C)C(=O)CCCCC(=O)CO 1458a_100000210174_100000752486 [0,1,0,0,0,0|3,0,0]=4 648 B12R0.186 CNC(=O)CCCNC(=O)C(C)C 11a_100000740002_100000210198 [0,1,0,0,0,0|3,0,0]=4 649 B12R0.186 CNC(=O)CCCNC(=O)C(C)C 240690a_100000740002_100000210198 [0,1,0,0,0,0|3,0,0]=4 650 B12R0.186 CNC(=O)CCCNC(=O)C(C)C 527a_100000740002_100000210198 [0,1,0,0,0,0|3,0,0]=4 651 B12R0.186 CNC(=O)CCCNC(=O)C(C)F 11a_100000740002_100000062450 [0,1,0,0,0,0|3,0,0]=4 652 B12R0.186 CNC(=O)CCCNC(=O)C(C)F 240690a_100000740002_100000062450 [0,1,0,0,0,0|3,0,0]=4 653 B12R0.186 CNC(=O)CCCNC(=O)C(C)F 527a_100000740002_100000062450 [0,1,0,0,0,0|3,0,0]=4 654 B12R0.186 CNC(=O)CCCNC(=O)N(C)C 2708a_100000740002_100102631434 [0,1,0,0,0,0|3,0,0]=4 655 B12R0.186 CNC(=O)CCCNC(=O)[C@@H](C)O 240690a_100000740002_100000717761 [0,1,0,0,0,0|3,0,0]=4 656 B12R0.186 CNC(=O)CCCNC(=O)[C@H](C)O 240690a_100000740002_217856618621 [0,1,0,0,0,0|3,0,0]=4 657 B12R0.186 CNC(=O)CCNCC(=O)C(=O)C 34a_100000738227_100011261029 [0,1,0,0,0,0|3,0,0]=4 658 B12R0.186 CNC(=O)CCNCC(=O)C(C)C 2230a_100000738227_100000753385 [0,1,0,0,0,0|3,0,0]=4 659 B12R0.186 CNC(=O)CCNCC(=O)C(C)C 34a_100000738227_100000753385 [0,1,0,0,0,0|3,0,0]=4 660 B12R0.186 CNC(=O)CCNCC(=O)N(C)C 2230a_100000738227_100000185267 [0,1,0,0,0,0|3,0,0]=4 661 B12R0.186 CNC(=O)CCNCC(=O)N(C)C 2230a_100015183351_100000737683 [0,1,0,0,0,0|3,0,0]=4 662 B12R0.186 CNC(=O)CCNCC(=O)N(C)C 34a_100000738227_100000692301 [0,1,0,0,0,0|3,0,0]=4 663 B12R0.186 CNC(=O)CCOCC(=O)C(=O)C 34a_100000754576_100011261029 [0,1,0,0,0,0|3,0,0]=4 664 B12R0.186 CNC(=O)CCOCC(=O)C(C)C 34a_100000754576_100000753385 [0,1,0,0,0,0|3,0,0]=4 665 B12R0.186 CNC(=O)CCOCC(=O)N(C)C 34a_100000754576_100000692301 [0,1,0,0,0,0|3,0,0]=4 666 B12R0.186 CNC(=O)CCSCC(=O)C(=O)C 62a_100000737683_100011261029 [0,1,0,0,0,0|3,0,0]=4 667 B12R0.186 CNC(=O)CCSCC(=O)C(=O)C 62a_100011261029_100000737683 [0,1,0,0,0,0|3,0,0]=4 668 B12R0.186 CNC(=O)CCSCC(=O)C(C)C 62a_100000737683_100000753385 [0,1,0,0,0,0|3,0,0]=4 669 B12R0.186 CNC(=O)CCSCC(=O)C(C)C 62a_100000753385_100000737683 [0,1,0,0,0,0|3,0,0]=4 670 B12R0.186 CNC(=O)CCSCC(=O)N(C)C 62a_100000692301_100000737683 [0,1,0,0,0,0|3,0,0]=4 671 B12R0.186 CNC(=O)CCSCC(=O)N(C)C 62a_100000737683_100000692301 [0,1,0,0,0,0|3,0,0]=4 672 B12R0.186 CNC(=O)CNCCC(=O)N(C)C 2230a_100000693194_100000737620 [0,1,0,0,0,0|3,0,0]=4 673 B12R0.186 CNC(=O)CNCCC(=O)N(C)C 2230a_100000738053_100000183359 [0,1,0,0,0,0|3,0,0]=4 674 B12R0.186 CNC(=O)COCCC(=O)N(C)C 34a_200000747469_100000183359 [0,1,0,0,0,0|3,0,0]=4 675 B12R0.186 CNC(=O)CSCCC(=O)N(C)C 62a_100000183359_100000737620 [0,1,0,0,0,0|3,0,0]=4 676 B12R0.186 CNC(=O)CSCCC(=O)N(C)C 62a_100000737620_100000183359 [0,1,0,0,0,0|3,0,0]=4 677 B12R0.186 CNC(=O)NCCCC(=O)N(C)C 2708a_100102657272_200000744827 [0,1,0,0,0,0|3,0,0]=4 678 B12R0.186 CNC(=O)NCCCC(=O)N(C)C 2708a_200000744827_106832991635 [0,1,0,0,0,0|3,0,0]=4 679 B12R0.186 CNC(=O)NCCCC(=O)N(C)C 273464a_100102657272_200000744827 [0,1,0,0,0,0|3,0,0]=4 680 B12R0.186 CNC(=O)NCCCC(=O)N(C)C 273464a_200000744827_100102657272 [0,1,0,0,0,0|3,0,0]=4 681 B12R0.186 CNC(=O)NCCCC(=O)N(C)C 512a_106832991638_200000744827 [0,1,0,0,0,0|3,0,0]=4 682 B12R0.186 CNC(=O)NCCCC(=O)N(C)C 512a_200000744827_100102657272 [0,1,0,0,0,0|3,0,0]=4 683 B12R0.186 COC(=O)CCCCC(=O)C(C)C 1458a_100000210198_100000204269 [0,1,0,0,0,0|1,0,0]=2 684 B12R0.186 COC(=O)CCCCC(=O)C(C)C 1458a_100000695723_100000210206 [0,1,0,0,0,0|1,0,0]=2 685 B12R0.186 COC(=O)CCCCC(=O)C(C)F 1458a_100000062450_100000204269 [0,1,0,0,0,0|1,0,0]=2 686 B12R0.186 COC(=O)CCCCC(=O)C(O)O 1458a_100000233687_100000204269 [0,1,0,0,0,0|2,0,0]=3 687 B12R0.186 COC(=O)CCCCC(=O)N(C)C 11a_100102631434_100000695723 [0,1,0,0,0,0|1,0,0]=2 688 B12R0.186 COC(=O)CCCCC(=O)N(C)C 1626a_100102631434_100000695723 [0,1,0,0,0,0|1,0,0]=2 689 B12R0.186 COC(=O)CCCCC(=O)N(C)C 240690a_100102631434_100000695723 [0,1,0,0,0,0|1,0,0]=2 690 B12R0.186 COC(=O)CCCCC(=O)N(C)C 527a_100102631434_100000695723 [0,1,0,0,0,0|1,0,0]=2 691 B12R0.186 COC(=O)CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000204269 [0,1,0,0,0,0|1,0,0]=2 692 B12R0.186 COC(=O)CCCCC(=O)[C@H](C)O 1458a_217856618621_100000204269 [0,1,0,0,0,0|1,0,0]=2 693 B12R0.186 COC(=O)CCCCN(C)C(C)C 269982a_200000211004_100000204269 [0,1,0,0,0,0|3,0,0]=4 694 B12R0.186 COC(=O)CCCNC(=O)C(C)C 188690a_100000184769_100000210198 [0,1,0,0,0,0|2,0,0]=3 695 B12R0.186 COC(=O)CCCNC(=O)C(C)F 188690a_100000184769_100000062450 [0,1,0,0,0,0|2,0,0]=3 696 B12R0.186 COC(=O)CCCNC(=O)C(O)O 188690a_100000184769_100000233687 [0,1,0,0,0,0|3,0,0]=4 697 B12R0.186 COC(=O)CCCNC(=O)[C@@H](C)O 188690a_100000184769_100000717761 [0,1,0,0,0,0|2,0,0]=3 698 B12R0.186 COC(=O)CCCNC(=O)[C@H](C)O 188690a_100000184769_217856618621 [0,1,0,0,0,0|2,0,0]=3 699 B12R0.186 COC(=O)CCNCC(=O)N(C)C 2230a_100015183351_100000204255 [0,1,0,0,0,0|2,0,0]=3 700 B12R0.186 COC(=O)CCSCC(=O)C(=O)C 62a_100000204255_100011261029 [0,1,0,0,0,0|2,0,0]=3 701 B12R0.186 COC(=O)CCSCC(=O)C(=O)C 62a_100011261029_100000204255 [0,1,0,0,0,0|2,0,0]=3 702 B12R0.186 COC(=O)CCSCC(=O)C(C)C 62a_100000204255_100000753385 [0,1,0,0,0,0|2,0,0]=3 703 B12R0.186 COC(=O)CCSCC(=O)C(C)C 62a_100000753385_100000204255 [0,1,0,0,0,0|2,0,0]=3 704 B12R0.186 COC(=O)CCSCC(=O)N(C)C 62a_100000204255_100000692301 [0,1,0,0,0,0|2,0,0]=3 705 B12R0.186 COC(=O)CCSCC(=O)N(C)C 62a_100000692301_100000204255 [0,1,0,0,0,0|2,0,0]=3 706 B12R0.186 COC(=O)CNCCC(=O)N(C)C 2230a_100000738053_100000747449 [0,1,0,0,0,0|2,0,0]=3 707 B12R0.186 COC(=O)COCCC(=O)C(C)C 1458a_100000210198_100000090808 [0,1,0,0,0,0|2,0,0]=3 708 B12R0.186 COC(=O)COCCC(=O)C(C)F 1458a_100000062450_100000090808 [0,1,0,0,0,0|2,0,0]=3 709 B12R0.186 COC(=O)COCCC(=O)C(O)O 1458a_100000233687_100000090808 [0,1,0,0,0,0|3,0,0]=4 710 B12R0.186 COC(=O)COCCC(=O)N(C)C 34a_200000747469_100000747449 [0,1,0,0,0,0|2,0,0]=3 711 B12R0.186 COC(=O)COCCC(=O)[C@@H](C)O 1458a_100000717761_100000090808 [0,1,0,0,0,0|2,0,0]=3 712 B12R0.186 COC(=O)COCCC(=O)[C@H](C)O 1458a_217856618621_100000090808 [0,1,0,0,0,0|2,0,0]=3 713 B12R0.186 COC(=O)CSCCC(=O)N(C)C 62a_100000737620_100000747449 [0,1,0,0,0,0|2,0,0]=3 714 B12R0.186 COC(=O)CSCCC(=O)N(C)C 62a_100000747449_100000737620 [0,1,0,0,0,0|2,0,0]=3 715 B12R0.186 COC(=O)CSCOC(=O)C(C)C 62a_100000139345_100000747449 [0,1,0,0,0,0|3,0,0]=4 716 B12R0.186 COC(=O)CSCOC(=O)C(C)C 62a_100000747449_100000139345 [0,1,0,0,0,0|3,0,0]=4 717 B12R0.186 COC(=O)NCCCC(=O)C(C)C 1458a_100000753017_100000210206 [0,1,0,0,0,0|2,0,0]=3 718 B12R0.186 COC(=O)NCCCC(=O)N(C)C 11a_100102631434_100000753017 [0,1,0,0,0,0|2,0,0]=3 719 B12R0.186 COC(=O)NCCCC(=O)N(C)C 1626a_100102631434_100000753017 [0,1,0,0,0,0|2,0,0]=3 720 B12R0.186 COC(=O)NCCCC(=O)N(C)C 240690a_100102631434_100000753017 [0,1,0,0,0,0|2,0,0]=3 721 B12R0.186 COC(=O)NCCCC(=O)N(C)C 527a_100102631434_100000753017 [0,1,0,0,0,0|2,0,0]=3 722 B12R0.186 COC(=O)OCSCC(=O)C(=O)C 62a_100011261029_100000139417 [0,1,0,0,0,0|3,0,0]=4 723 B12R0.186 COC(=O)OCSCC(=O)C(C)C 62a_100000753385_100000139417 [0,1,0,0,0,0|3,0,0]=4 724 B12R0.186 COC(=O)OCSCC(=O)N(C)C 62a_100000692301_100000139417 [0,1,0,0,0,0|3,0,0]=4 725 B12R0.276 C#CC(=O)CCCCC(=O)OCC 1458a_100000211873_100000750268 [0,1,0,0,0,0|1,0,1]=3 726 B12R0.276 C#CC(=O)CCOCC(=O)OCC 1458a_100000211873_100000088970 [0,1,0,0,0,0|2,0,1]=4 727 B12R0.276 C#CCC(=O)CCCCC(=O)OC 1458a_100000695723_100000184674 [0,1,0,0,0,0|1,0,1]=3 728 B12R0.276 C#CCC(=O)CCCCC(=O)OC 1458a_100011220946_100000204269 [0,1,0,0,0,0|1,0,1]=3 729 B12R0.276 C#CCC(=O)CCCNC(=O)OC 1458a_100000753017_100000184674 [0,1,0,0,0,0|2,0,1]=4 730 B12R0.276 C#CCC(=O)CCOCC(=O)OC 1458a_100011220946_100000090808 [0,1,0,0,0,0|2,0,1]=4 731 B12R0.276 C#CCC(=O)NCCCC(=O)OC 188690a_100000184769_100011220946 [0,1,0,0,0,0|2,0,1]=4 732 B12R0.276 C=CC(=O)CCCCC(=O)OCC 1458a_100000185746_100000750268 [0,1,0,0,0,0|1,0,1]=3 733 B12R0.276 C=CC(=O)CCOCC(=O)OCC 1458a_100000185746_100000088970 [0,1,0,0,0,0|2,0,1]=4 734 B12R0.276 C=CCC(=O)CCCCC(=O)OC 1458a_100000210193_100000204269 [0,1,0,0,0,0|1,0,1]=3 735 B12R0.276 C=CCC(=O)CCCCC(=O)OC 1458a_100000695723_100000210623 [0,1,0,0,0,0|1,0,1]=3 736 B12R0.276 C=CCC(=O)CCCNC(=O)OC 1458a_100000753017_100000210623 [0,1,0,0,0,0|2,0,1]=4 737 B12R0.276 C=CCC(=O)CCOCC(=O)OC 1458a_100000210193_100000090808 [0,1,0,0,0,0|2,0,1]=4 738 B12R0.276 C=CCC(=O)NCCCC(=O)OC 188690a_100000184769_100000210193 [0,1,0,0,0,0|2,0,1]=4 739 B12R0.276 C=COC(=O)CNCCC(=O)NC 2230a_100000738227_100000036128 [0,1,0,0,0,0|2,0,1]=4 740 B12R0.276 C=COC(=O)CNCCC(=O)NC 34a_100000738227_100000036128 [0,1,0,0,0,0|2,0,1]=4 741 B12R0.276 C=COC(=O)COCCC(=O)NC 34a_100000754576_100000036128 [0,1,0,0,0,0|2,0,1]=4 742 B12R0.276 C=COC(=O)CSCCC(=O)NC 62a_100000036128_100000737683 [0,1,0,0,0,0|2,0,1]=4 743 B12R0.276 C=COC(=O)CSCCC(=O)NC 62a_100000737683_100000036128 [0,1,0,0,0,0|2,0,1]=4 744 B12R0.276 C=COC(=O)CSCCC(=O)OC 62a_100000036128_100000204255 [0,1,0,0,0,0|1,0,1]=3 745 B12R0.276 C=COC(=O)CSCCC(=O)OC 62a_100000204255_100000036128 [0,1,0,0,0,0|1,0,1]=3 746 B12R0.276 C=COC(=O)CSCOC(=O)OC 62a_100000036128_100000139417 [0,1,0,0,0,0|2,0,1]=4 747 B12R0.276 CC#CC(=O)CCCCC(=O)OC 1458a_100000763181_100000204269 [0,1,0,0,0,0|1,0,0]=2 748 B12R0.276 CC#CC(=O)CCOCC(=O)OC 1458a_100000763181_100000090808 [0,1,0,0,0,0|2,0,0]=3 749 B12R0.276 CC=CC(=O)CCCCC(=O)OC 1458a_100000210699_100000204269 [0,1,0,0,0,0|1,0,0]=2 750 B12R0.276 CC=CC(=O)CCOCC(=O)OC 1458a_100000210699_100000090808 [0,1,0,0,0,0|2,0,0]=3 751 B12R0.276 CC=CC(=O)NCCCC(=O)NC 11a_100000740002_100000210699 [0,1,0,0,0,0|3,0,0]=4 752 B12R0.276 CC=CC(=O)NCCCC(=O)NC 240690a_100000740002_100000210699 [0,1,0,0,0,0|3,0,0]=4 753 B12R0.276 CC=CC(=O)NCCCC(=O)OC 188690a_100000184769_100000210699 [0,1,0,0,0,0|2,0,0]=3 754 B12R0.276 CCC(=O)NCCNC(=O)COC 11a_100132302217_100000210968 [0,1,0,0,0,0|3,0,0]=4 755 B12R0.276 CCC(=O)NCCNC(=O)COC 1626a_100132302217_100000210968 [0,1,0,0,0,0|3,0,0]=4 756 B12R0.276 CCC(=O)NCCNC(=O)COC 240690a_100132302217_100000210968 [0,1,0,0,0,0|3,0,0]=4 757 B12R0.276 CCC(=O)NCCNC(=O)COC 527a_100132302217_100000210968 [0,1,0,0,0,0|3,0,0]=4 758 B12R0.276 CCCC(=O)CCCCC(=O)OC 1458a_100000211992_100000204269 [0,1,0,0,0,0|1,0,0]=2 759 B12R0.276 CCCC(=O)CCCCC(=O)OC 1458a_100000695723_100000210303 [0,1,0,0,0,0|1,0,0]=2 760 B12R0.276 CCCC(=O)CCCNC(=O)OC 1458a_100000753017_100000210303 [0,1,0,0,0,0|2,0,0]=3 761 B12R0.276 CCCC(=O)CCOCC(=O)OC 1458a_100000211992_100000090808 [0,1,0,0,0,0|2,0,0]=3 762 B12R0.276 CCCC(=O)CNCCC(=O)NC 2230a_100000738227_100000747444 [0,1,0,0,0,0|3,0,0]=4 763 B12R0.276 CCCC(=O)CSCCC(=O)NC 62a_100000737683_100000747444 [0,1,0,0,0,0|3,0,0]=4 764 B12R0.276 CCCC(=O)CSCCC(=O)NC 62a_100000747444_100000737683 [0,1,0,0,0,0|3,0,0]=4 765 B12R0.276 CCCC(=O)CSCCC(=O)OC 62a_100000204255_100000747444 [0,1,0,0,0,0|2,0,0]=3 766 B12R0.276 CCCC(=O)CSCCC(=O)OC 62a_100000747444_100000204255 [0,1,0,0,0,0|2,0,0]=3 767 B12R0.276 CCCC(=O)CSCOC(=O)OC 62a_100000747444_100000139417 [0,1,0,0,0,0|3,0,0]=4 768 B12R0.276 CCCC(=O)NCCCC(=O)NC 11a_100000740002_100000211992 [0,1,0,0,0,0|3,0,0]=4 769 B12R0.276 CCCC(=O)NCCCC(=O)NC 240690a_100000740002_100000211992 [0,1,0,0,0,0|3,0,0]=4 770 B12R0.276 CCCC(=O)NCCCC(=O)NC 527a_100000740002_100000211992 [0,1,0,0,0,0|3,0,0]=4 771 B12R0.276 CCCC(=O)NCCCC(=O)OC 188690a_100000184769_100000211992 [0,1,0,0,0,0|2,0,0]=3 772 B12R0.276 CCCC(=O)OCSCC(=O)OC 62a_100000747449_100000034017 [0,1,0,0,0,0|3,0,0]=4 773 B12R0.276 CCCN(C)CCCCC(=O)OC 2230a_100000747261_100000204269 [0,1,0,0,0,0|3,0,0]=4 774 B12R0.276 CCCN(C)CCCCC(=O)OC 269982a_100000747261_100000204269 [0,1,0,0,0,0|3,0,0]=4 775 B12R0.276 CCNC(=O)CCCCC(=O)OC 11a_100015525214_100000695723 [0,1,0,0,0,0|1,0,0]=2 776 B12R0.276 CCNC(=O)CCCCC(=O)OC 240690a_100015525214_100000695723 [0,1,0,0,0,0|1,0,0]=2 777 B12R0.276 CCNC(=O)CCCCC(=O)OC 527a_100015525214_100000695723 [0,1,0,0,0,0|1,0,0]=2 778 B12R0.276 CCNC(=O)CCCNC(=O)OC 11a_100015525214_100000753017 [0,1,0,0,0,0|2,0,0]=3 779 B12R0.276 CCNC(=O)CCCNC(=O)OC 240690a_100015525214_100000753017 [0,1,0,0,0,0|2,0,0]=3 780 B12R0.276 CCNC(=O)CCCNC(=O)OC 527a_100015525214_100000753017 [0,1,0,0,0,0|2,0,0]=3 781 B12R0.276 CCNC(=O)CCNCC(=O)NC 2230a_100000693194_100000737597 [0,1,0,0,0,0|3,0,0]=4 782 B12R0.276 CCNC(=O)CCNCC(=O)NC 34a_100025743525_100000183359 [0,1,0,0,0,0|3,0,0]=4 783 B12R0.276 CCNC(=O)CCNCC(=O)OC 34a_100025743525_100000747449 [0,1,0,0,0,0|2,0,0]=3 784 B12R0.276 CCNC(=O)CCSCC(=O)CC 62a_100000737597_100000747405 [0,1,0,0,0,0|3,0,0]=4 785 B12R0.276 CCNC(=O)CCSCC(=O)CC 62a_100000747405_100000737597 [0,1,0,0,0,0|3,0,0]=4 786 B12R0.276 CCNC(=O)CCSCC(=O)NC 62a_100000183359_100000737597 [0,1,0,0,0,0|3,0,0]=4 787 B12R0.276 CCNC(=O)CCSCC(=O)NC 62a_100000737597_100000183359 [0,1,0,0,0,0|3,0,0]=4 788 B12R0.276 CCNC(=O)CCSCC(=O)OC 62a_100000737597_100000747449 [0,1,0,0,0,0|2,0,0]=3 789 B12R0.276 CCNC(=O)CCSCC(=O)OC 62a_100000747449_100000737597 [0,1,0,0,0,0|2,0,0]=3 790 B12R0.276 CCNC(=O)CNCCC(=O)NC 2230a_100000738227_100000183381 [0,1,0,0,0,0|3,0,0]=4 791 B12R0.276 CCNC(=O)CNCCC(=O)NC 2230a_100016988866_100000737683 [0,1,0,0,0,0|3,0,0]=4 792 B12R0.276 CCNC(=O)CNCCC(=O)NC 34a_100000738227_100000183381 [0,1,0,0,0,0|3,0,0]=4 793 B12R0.276 CCNC(=O)CNCCC(=O)OC 2230a_100016988866_100000204255 [0,1,0,0,0,0|2,0,0]=3 794 B12R0.276 CCNC(=O)COCCC(=O)NC 34a_100000754576_100000183381 [0,1,0,0,0,0|3,0,0]=4 795 B12R0.276 CCNC(=O)CSCCC(=O)NC 62a_100000183381_100000737683 [0,1,0,0,0,0|3,0,0]=4 796 B12R0.276 CCNC(=O)CSCCC(=O)NC 62a_100000737683_100000183381 [0,1,0,0,0,0|3,0,0]=4 797 B12R0.276 CCNC(=O)CSCCC(=O)OC 62a_100000183381_100000204255 [0,1,0,0,0,0|2,0,0]=3 798 B12R0.276 CCNC(=O)CSCCC(=O)OC 62a_100000204255_100000183381 [0,1,0,0,0,0|2,0,0]=3 799 B12R0.276 CCNC(=O)CSCOC(=O)OC 62a_100000183381_100000139417 [0,1,0,0,0,0|3,0,0]=4 800 B12R0.276 CCNC(=O)NCCCC(=O)NC 2708a_100000740002_100015525214 [0,1,0,0,0,0|3,0,0]=4 801 B12R0.276 CCNC(=O)NCCCC(=O)NC 2708a_100015525214_100000740002 [0,1,0,0,0,0|3,0,0]=4 802 B12R0.276 CCNC(=O)NCCCC(=O)NC 273464a_100000740002_100015525214 [0,1,0,0,0,0|3,0,0]=4 803 B12R0.276 CCNC(=O)NCCCC(=O)NC 273464a_100015525214_100000740002 [0,1,0,0,0,0|3,0,0]=4 804 B12R0.276 CCNC(=O)NCCCC(=O)NC 512a_100000740002_100015525214 [0,1,0,0,0,0|3,0,0]=4 805 B12R0.276 CCNC(=O)NCCCC(=O)NC 512a_100015525214_100000740002 [0,1,0,0,0,0|3,0,0]=4 806 B12R0.276 CCOC(=O)CCCCC(=O)CC 1458a_100000210414_100000750268 [0,1,0,0,0,0|1,0,0]=2 807 B12R0.276 CCOC(=O)CCCCC(=O)CC 1458a_100011217402_100000210202 [0,1,0,0,0,0|1,0,0]=2 808 B12R0.276 CCOC(=O)CCCCC(=O)CF 1458a_100011217402_100015361967 [0,1,0,0,0,0|2,0,0]=3 809 B12R0.276 CCOC(=O)CCCCC(=O)CO 1458a_100000210174_100000750268 [0,1,0,0,0,0|2,0,0]=3 810 B12R0.276 CCOC(=O)CCCCC(=O)NC 11a_106832991635_100011217402 [0,1,0,0,0,0|1,0,0]=2 811 B12R0.276 CCOC(=O)CCCCC(=O)NC 1626a_100102657272_100011217402 [0,1,0,0,0,0|1,0,0]=2 812 B12R0.276 CCOC(=O)CCCCC(=O)NC 240690a_100102657272_100011217402 [0,1,0,0,0,0|1,0,0]=2 813 B12R0.276 CCOC(=O)CCCCC(=O)NC 527a_100102657272_100011217402 [0,1,0,0,0,0|1,0,0]=2 814 B12R0.276 CCOC(=O)CCCCN(C)CC 2230a_100000225621_100000750268 [0,1,0,0,0,0|3,0,0]=4 815 B12R0.276 CCOC(=O)CCCCN(C)CC 269982a_100000225621_100000750268 [0,1,0,0,0,0|3,0,0]=4 816 B12R0.276 CCOC(=O)CCCNC(=O)CC 188690a_100000211256_100000210414 [0,1,0,0,0,0|2,0,0]=3 817 B12R0.276 CCOC(=O)CCCNC(=O)CO 188690a_100000211256_100000210174 [0,1,0,0,0,0|3,0,0]=4 818 B12R0.276 CCOC(=O)CCCSC(C)OC 62a_100009879195_100009991533 [0,1,0,0,0,0|2,0,1]=4 819 B12R0.276 CCOC(=O)CCCSC(C)OC 62a_100009991533_100009879195 [0,1,0,0,0,0|2,0,1]=4 820 B12R0.276 CCOC(=O)CCNCC(=O)NC 2230a_100000693194_100011206558 [0,1,0,0,0,0|2,0,0]=3 821 B12R0.276 CCOC(=O)CCNC[C@@H](C)OC 2230a_100020591295_100011206558 [0,1,0,0,0,0|2,0,1]=4 822 B12R0.276 CCOC(=O)CCOCC(=O)CC 34a_100000725409_100000765890 [0,1,0,0,0,0|2,0,0]=3 823 B12R0.276 CCOC(=O)CCOCC(=O)NC 34a_100000750040_100000765890 [0,1,0,0,0,0|2,0,0]=3 824 B12R0.276 CCOC(=O)CCOCC(C)OC 34a_100000690652_100000765890 [0,1,0,0,0,0|2,0,1]=4 825 B12R0.276 CCOC(=O)CCSCC(=O)CC 62a_100000747405_100000765890 [0,1,0,0,0,0|2,0,0]=3 826 B12R0.276 CCOC(=O)CCSCC(=O)CC 62a_100000765890_100000747405 [0,1,0,0,0,0|2,0,0]=3 827 B12R0.276 CCOC(=O)CCSCC(=O)NC 62a_100000183359_100000765890 [0,1,0,0,0,0|2,0,0]=3 828 B12R0.276 CCOC(=O)CCSCC(=O)NC 62a_100000765890_100000183359 [0,1,0,0,0,0|2,0,0]=3 829 B12R0.276 CCOC(=O)CCSCC(=O)OC 62a_100000747449_100000765890 [0,1,0,0,0,0|1,0,0]=2 830 B12R0.276 CCOC(=O)CCSCC(=O)OC 62a_100000765890_100000747449 [0,1,0,0,0,0|1,0,0]=2 831 B12R0.276 CCOC(=O)CNCCC(=O)NC 2230a_100000738227_100000188475 [0,1,0,0,0,0|2,0,0]=3 832 B12R0.276 CCOC(=O)CNCCC(=O)NC 34a_100000738227_100000188475 [0,1,0,0,0,0|2,0,0]=3 833 B12R0.276 CCOC(=O)COCCC(=O)CC 1458a_100000210414_100000088970 [0,1,0,0,0,0|2,0,0]=3 834 B12R0.276 CCOC(=O)COCCC(=O)CO 1458a_100000210174_100000088970 [0,1,0,0,0,0|3,0,0]=4 835 B12R0.276 CCOC(=O)COCCC(=O)NC 34a_100000754576_100000188475 [0,1,0,0,0,0|2,0,0]=3 836 B12R0.276 CCOC(=O)COCCC(C)OC 7a_100000764861_100000188475 [0,1,0,0,0,0|2,0,1]=4 837 B12R0.276 CCOC(=O)CSCCC(=O)NC 62a_100000188475_100000737683 [0,1,0,0,0,0|2,0,0]=3 838 B12R0.276 CCOC(=O)CSCCC(=O)NC 62a_100000737683_100000188475 [0,1,0,0,0,0|2,0,0]=3 839 B12R0.276 CCOC(=O)CSCCC(=O)OC 62a_100000188475_100000204255 [0,1,0,0,0,0|1,0,0]=2 840 B12R0.276 CCOC(=O)CSCCC(=O)OC 62a_100000204255_100000188475 [0,1,0,0,0,0|1,0,0]=2 841 B12R0.276 CCOC(=O)CSCOC(=O)OC 62a_100000188475_100000139417 [0,1,0,0,0,0|2,0,0]=3 842 B12R0.276 CCOC(=O)OCSCC(=O)CC 62a_100000747405_100000075025 [0,1,0,0,0,0|3,0,0]=4 843 B12R0.276 CCOC(=O)OCSCC(=O)NC 62a_100000183359_100000075025 [0,1,0,0,0,0|3,0,0]=4 844 B12R0.276 CCOC(=O)OCSCC(=O)OC 62a_100000747449_100000075025 [0,1,0,0,0,0|2,0,0]=3 845 B12R0.276 CNC(=O)CCCNC(=O)CCO 240690a_100000740002_100011216618 [0,1,0,0,0,0|3,0,0]=4 846 B12R0.276 CNC(=O)CCCNC(=O)COC 11a_100000740002_100000210968 [0,1,0,0,0,0|2,0,0]=3 847 B12R0.276 CNC(=O)CCCNC(=O)COC 240690a_100000740002_100000210968 [0,1,0,0,0,0|2,0,0]=3 848 B12R0.276 CNC(=O)CCCNC(=O)COC 527a_100000740002_100000210968 [0,1,0,0,0,0|2,0,0]=3 849 B12R0.276 CNC(=O)CCCNC(=O)CSC 11a_100000740002_100000184570 [0,1,0,0,0,0|2,1,0]=4 850 B12R0.276 CNC(=O)CCCNC(=O)CSC 240690a_100000740002_100000184570 [0,1,0,0,0,0|2,1,0]=4 851 B12R0.276 CNC(=O)CCCNC(=O)CSC 527a_100000740002_100000184570 [0,1,0,0,0,0|2,1,0]=4 852 B12R0.276 CNC(=O)CCNCC(=O)NCO 2230a_100000738227_100000185155 [0,1,0,0,0,0|3,0,0]=4 853 B12R0.276 CNC(=O)CCNCC(=O)NCO 34a_100000738227_100000185155 [0,1,0,0,0,0|3,0,0]=4 854 B12R0.276 CNC(=O)CCOCC(=O)NCO 34a_100000754576_100000185155 [0,1,0,0,0,0|3,0,0]=4 855 B12R0.276 CNC(=O)CCSCC(=O)NCO 62a_100000185155_100000737683 [0,1,0,0,0,0|3,0,0]=4 856 B12R0.276 CNC(=O)CCSCC(=O)NCO 62a_100000737683_100000185155 [0,1,0,0,0,0|3,0,0]=4 857 B12R0.276 CNC(=O)NCCNC(=O)COC 11a_100015205895_100000210968 [0,1,0,0,0,0|3,0,0]=4 858 B12R0.276 CNC(=O)NCCNC(=O)COC 240690a_100015205895_100000210968 [0,1,0,0,0,0|3,0,0]=4 859 B12R0.276 CNC(=O)NCCNC(=O)COC 527a_100015205895_100000210968 [0,1,0,0,0,0|3,0,0]=4 860 B12R0.276 CNCC(=O)NCCCC(=O)OC 2230a_106832991635_100000230218 [0,1,0,0,0,0|2,0,0]=3 861 B12R0.276 CNCC(=O)NCCCC(=O)OC 34a_100102657272_100000230218 [0,1,0,0,0,0|2,0,0]=3 862 B12R0.276 CNCC(=O)NCCCC(=O)OC 7a_106832991635_100000230218 [0,1,0,0,0,0|2,0,0]=3 863 B12R0.276 CNNC(=O)CCCCC(=O)OC 22a_100016993582_100000695723 [0,1,0,0,0,0|1,0,0]=2 864 B12R0.276 CNNC(=O)CCCNC(=O)OC 22a_100016993582_100000753017 [0,1,0,0,0,0|2,0,0]=3 865 B12R0.276 CNNC(=O)NCCCC(=O)NC 273464a_100000740002_100016993582 [0,1,0,0,0,0|3,0,0]=4 866 B12R0.276 CNNC(=O)NCCCC(=O)NC 512a_100000740002_100016993582 [0,1,0,0,0,0|3,0,0]=4 867 B12R0.276 CNNC(=O)NCCCC(=O)NC 512a_100016993582_100000740002 [0,1,0,0,0,0|3,0,0]=4 868 B12R0.276 COC(=O)CCCCC(=O)C=CBr 1458a_100016273825_100000204269 [0,1,0,0,0,0|1,0,1]=3 869 B12R0.276 COC(=O)CCCCC(=O)C=CCl 1458a_200016279998_100000204269 [0,1,0,0,0,0|1,0,1]=3 870 B12R0.276 COC(=O)CCCCC(=O)C=CI 1458a_100016256311_100000204269 [0,1,0,0,0,0|1,0,1]=3 871 B12R0.276 COC(=O)CCCCC(=O)CC#N 1458a_100000695723_100011214920 [0,1,0,0,0,0|1,0,1]=3 872 B12R0.276 COC(=O)CCCCC(=O)CC#N 1458a_100051588842_100000204269 [0,1,0,0,0,0|1,0,1]=3 873 B12R0.276 COC(=O)CCCCC(=O)CCF 1458a_100000695723_100011217306 [0,1,0,0,0,0|1,0,0]=2 874 B12R0.276 COC(=O)CCCCC(=O)CCO 1458a_100000695723_100000211926 [0,1,0,0,0,0|1,0,0]=2 875 B12R0.276 COC(=O)CCCCC(=O)CCO 1458a_100011216618_100000204269 [0,1,0,0,0,0|1,0,0]=2 876 B12R0.276 COC(=O)CCCCC(=O)CSC 1458a_100000184570_100000204269 [0,1,0,0,0,0|0,1,0]=2 877 B12R0.276 COC(=O)CCCCN(C)CCO 2230a_100000210263_100000204269 [0,1,0,0,0,0|3,0,0]=4 878 B12R0.276 COC(=O)CCCCN(C)CCO 269982a_100000210263_100000204269 [0,1,0,0,0,0|3,0,0]=4 879 B12R0.276 COC(=O)CCCNC(=O)CSC 188690a_100000184769_100000184570 [0,1,0,0,0,0|1,1,0]=3 880 B12R0.276 COC(=O)CCCNC(=O)CSC 62a_100000230218_200000210301 [0,1,0,0,0,0|1,1,0]=3 881 B12R0.276 COC(=O)CCCNC(=O)CSC 62a_200000210301_100000230218 [0,1,0,0,0,0|1,1,0]=3 882 B12R0.276 COC(=O)CCCNC(=O)CS[13CH3] 62a_100000230218_200025704644 [0,1,0,0,0,0|1,1,0]=3 883 B12R0.276 COC(=O)CCCNC(=O)CS[13CH3] 62a_200025704644_100000230218 [0,1,0,0,0,0|1,1,0]=3 884 B12R0.276 COC(=O)CCSCC(=O)NCO 62a_100000185155_100000204255 [0,1,0,0,0,0|2,0,0]=3 885 B12R0.276 COC(=O)CCSCC(=O)NCO 62a_100000204255_100000185155 [0,1,0,0,0,0|2,0,0]=3 886 B12R0.276 COC(=O)COCCC(=O)C=CBr 1458a_100016273825_100000090808 [0,1,0,0,0,0|2,0,1]=4 887 B12R0.276 COC(=O)COCCC(=O)C=CCl 1458a_200016279998_100000090808 [0,1,0,0,0,0|2,0,1]=4 888 B12R0.276 COC(=O)COCCC(=O)C=CI 1458a_100016256311_100000090808 [0,1,0,0,0,0|2,0,1]=4 889 B12R0.276 COC(=O)COCCC(=O)CC#N 1458a_100051588842_100000090808 [0,1,0,0,0,0|2,0,1]=4 890 B12R0.276 COC(=O)COCCC(=O)CCO 1458a_100011216618_100000090808 [0,1,0,0,0,0|2,0,0]=3 891 B12R0.276 COC(=O)COCCC(=O)CSC 1458a_100000184570_100000090808 [0,1,0,0,0,0|1,1,0]=3 892 B12R0.276 COC(=O)NCCCC(=O)CC#N 1458a_100000753017_100011214920 [0,1,0,0,0,0|2,0,1]=4 893 B12R0.276 COC(=O)NCCCC(=O)CCF 1458a_100000753017_100011217306 [0,1,0,0,0,0|2,0,0]=3 894 B12R0.276 COC(=O)NCCCC(=O)CCO 1458a_100000753017_100000211926 [0,1,0,0,0,0|2,0,0]=3 895 B12R0.276 COC(=O)OCSCC(=O)NCO 62a_100000185155_100000139417 [0,1,0,0,0,0|3,0,0]=4 896 B12R0.276 COCC(=O)CCCCC(=O)OC 1458a_100000210968_100000204269 [0,1,0,0,0,0|0,0,0]=1 897 B12R0.276 COCC(=O)CCOCC(=O)OC 1458a_100000210968_100000090808 [0,1,0,0,0,0|1,0,0]=2 898 B12R0.276 COCC(=O)NCCCC(=O)OC 188690a_100000184769_100000210968 [0,1,0,0,0,0|1,0,0]=2 899 B12R0.276 COCC(=O)NCCCC(=O)OC 34a_100138415774_100000230218 [0,1,0,0,0,0|1,0,0]=2 900 B12R0.276 COCC(=O)NN=CCC(=O)OC 4a_100000216845_200011552997 [0,1,0,0,0,0|2,0,1]=4 901 B12R0.276 COCC(C)SCCCC(=O)OC 62a_100000765312_100011218270 [0,1,0,0,0,0|2,0,1]=4 902 B12R0.276 COCC(C)SCCCC(=O)OC 62a_100011218270_100000765312 [0,1,0,0,0,0|2,0,1]=4 903 B12R0.276 COCC(N)COCCC(=O)OC 34a_100000724102_100000742370 [0,1,0,0,0,0|2,0,1]=4 904 B12R0.276 COCC(O)CNCCC(=O)OC 2230a_100000756049_100000204255 [0,1,0,0,0,0|1,0,2]=4 905 B12R0.276 COCC(O)CNCCC(=O)OC 34a_100000756049_100000742370 [0,1,0,0,0,0|1,0,2]=4 906 B12R0.276 COCC(O)CSCCC(=O)OC 62a_100000204255_100011215053 [0,1,0,0,0,0|1,0,2]=4 907 B12R0.276 COCC(O)CSCCC(=O)OC 62a_100011215053_100000204255 [0,1,0,0,0,0|1,0,2]=4 908 B12R0.276 COC[C@@H](C)NCCCC(=O)OC 2230a_100000764878_100011218270 [0,1,0,0,0,0|2,0,1]=4 909 B12R0.276 COC[C@@H](C)OCCCC(=O)OC 34a_100011934205_100000742333 [0,1,0,0,0,0|2,0,1]=4 910 B12R1.26 CCC(=O)CCC1COS(=O)O1 1458a_100000210414_100009840081 [0,0,0,1,0,0|3,0,0]=4 911 B12R1.26 CCC(=O)COC1COC(=O)O1 34a_100000725409_100000032252 [0,0,0,1,0,0|3,0,0]=4 912 B12R1.26 CCC(=O)CSC1COC(=O)O1 62a_100000747405_100000032252 [0,0,0,1,0,0|3,0,0]=4 913 B12R1.26 CCC(=O)NCC1CNC(=O)C1 11a_100016993742_100000210414 [0,0,0,1,0,0|3,0,0]=4 914 B12R1.26 CCC(=O)NCC1CNC(=O)C1 1626a_100016993742_100000210414 [0,0,0,1,0,0|3,0,0]=4 915 B12R1.26 CCC(=O)NCC1CNC(=O)C1 240690a_100016993742_100000210414 [0,0,0,1,0,0|3,0,0]=4 916 B12R1.26 CCC(=O)NCC1CNC(=O)C1 527a_100016993742_100000210414 [0,0,0,1,0,0|3,0,0]=4 917 B12R1.26 CNC(=O)CCN1CNC(=O)C1 2230a_200000708111_100000737683 [0,0,0,1,0,0|3,0,0]=4 918 B12R1.26 CNC(=O)CNC1CNC(=O)C1 2230a_100000697751_100000183359 [0,0,0,1,0,0|3,0,0]=4 919 B12R1.26 CNC(=O)COC1CCC(=O)C1 34a_100012614533_100000183359 [0,0,0,1,0,0|3,0,0]=4 920 B12R1.26 CNC(=O)COC1CNC(=O)C1 34a_100000690082_100000183359 [0,0,0,1,0,0|3,0,0]=4 921 B12R1.26 CNC(=O)COC1COC(=O)O1 34a_100000750040_100000032252 [0,0,0,1,0,0|3,0,0]=4 922 B12R1.26 CNC(=O)CSC1COC(=O)O1 62a_100000183359_100000032252 [0,0,0,1,0,0|3,0,0]=4 923 B12R1.26 CNC(=O)NCC1CNC(=O)C1 2708a_100016993742_106832991635 [0,0,0,1,0,0|3,0,0]=4 924 B12R1.26 CNC(=O)NCC1CNC(=O)C1 2708a_100102657272_100016993742 [0,0,0,1,0,0|3,0,0]=4 925 B12R1.26 CNC(=O)NCC1CNC(=O)C1 273464a_100016993742_100102657272 [0,0,0,1,0,0|3,0,0]=4 926 B12R1.26 CNC(=O)NCC1CNC(=O)C1 273464a_100102657272_100016993742 [0,0,0,1,0,0|3,0,0]=4 927 B12R1.26 CNC(=O)NCC1CNC(=O)C1 512a_100016993742_100102657272 [0,0,0,1,0,0|3,0,0]=4 928 B12R1.26 CNC(=O)NCC1CNC(=O)C1 512a_106832991638_100016993742 [0,0,0,1,0,0|3,0,0]=4 929 B12R1.26 COC(=O)CCN1CNC(=O)C1 2230a_200000708111_100000204255 [0,0,0,1,0,0|2,0,0]=3 930 B12R1.26 COC(=O)CNC1CNC(=O)C1 2230a_100000697751_100000747449 [0,0,0,1,0,0|2,0,0]=3 931 B12R1.26 COC(=O)COC1CCC(=O)C1 34a_100012614533_100000747449 [0,0,0,1,0,0|2,0,0]=3 932 B12R1.26 COC(=O)COC1CNC(=O)C1 34a_100000690082_100000747449 [0,0,0,1,0,0|2,0,0]=3 933 B12R1.26 COC(=O)CSC1COC(=O)O1 62a_100000747449_100000032252 [0,0,0,1,0,0|2,0,0]=3 934 B12R1.49 C=C1CCN(CC1)CC(=O)OC 2230a_100000752442_100000747449 [0,0,0,1,0,0|3,0,0]=4 935 B12R1.49 C=C1CCN(CC1)CC(=O)OC 269982a_100000752442_100000747449 [0,0,0,1,0,0|3,0,0]=4 936 B12R1.49 C=C1CCN(CC1)CC(=O)OC 34a_100000752442_100000747449 [0,0,0,1,0,0|3,0,0]=4 937 B12R1.49 CCC(=O)NC1CCC(=O)NC1 11a_100000748762_100000210414 [0,0,0,1,0,0|3,0,0]=4 938 B12R1.49 CCC(=O)NC1CCC(=O)NC1 1626a_100000748762_100000210414 [0,0,0,1,0,0|3,0,0]=4 939 B12R1.49 CCC(=O)NC1CCC(=O)NC1 240690a_100000748762_100000210414 [0,0,0,1,0,0|3,0,0]=4 940 B12R1.49 CCC(=O)NC1CCC(=O)NC1 527a_100000748762_100000210414 [0,0,0,1,0,0|3,0,0]=4 941 B12R1.49 CNC(=O)NC1CCC(=O)NC1 2708a_100000748762_106832991635 [0,0,0,1,0,0|3,0,0]=4 942 B12R1.49 CNC(=O)NC1CCC(=O)NC1 2708a_100102657272_100000748762 [0,0,0,1,0,0|3,0,0]=4 943 B12R1.49 CNC(=O)NC1CCC(=O)NC1 273464a_100000748762_100102657272 [0,0,0,1,0,0|3,0,0]=4 944 B12R1.49 CNC(=O)NC1CCC(=O)NC1 273464a_100102657272_100000748762 [0,0,0,1,0,0|3,0,0]=4 945 B12R1.49 CNC(=O)NC1CCC(=O)NC1 512a_100000748762_100102657272 [0,0,0,1,0,0|3,0,0]=4 946 B12R1.49 CNC(=O)NC1CCC(=O)NC1 512a_106832991638_100000748762 [0,0,0,1,0,0|3,0,0]=4 947 B12R1.49 COC(=O)CC1CCN(CC1)C 2230a_100015189564_200000210301 [0,0,0,1,0,0|3,0,0]=4 948 B12R1.49 COC(=O)CC1CCN(CC1)C 269982a_100015189564_200000210301 [0,0,0,1,0,0|3,0,0]=4 949 B12R1.49 COC(=O)CC1CCN(CC1)[13CH3] 2230a_100015189564_200025704644 [0,0,0,1,0,0|3,0,0]=4 950 B12R1.49 COC(=O)CC1CCN(CC1)[13CH3] 269982a_100015189564_200025704644 [0,0,0,1,0,0|3,0,0]=4 951 B12R1.49 COC(=O)CN1CC=C(CC1)C 2230a_100000693516_100000747449 [0,0,0,1,0,0|3,0,0]=4 952 B12R1.49 COC(=O)CN1CC=C(CC1)C 269982a_100000693516_100000747449 [0,0,0,1,0,0|3,0,0]=4 953 B12R1.49 COC(=O)CN1CC=C(CC1)C 34a_100000693516_100000747449 [0,0,0,1,0,0|3,0,0]=4 954 B12R1.49 COC(=O)CN1CCS(=O)CC1 2230a_100000752083_100000747449 [0,0,0,1,0,0|3,0,0]=4 955 B12R1.49 COC(=O)CN1CCS(=O)CC1 269982a_100000752083_100000747449 [0,0,0,1,0,0|3,0,0]=4 956 B12R1.61 CCN1CC[C@@H](C1)CC(=O)OC 2230a_100020634416_100000210202 [0,0,0,1,0,0|3,0,0]=4 957 B12R1.61 CCN1CC[C@@H](C1)CC(=O)OC 269982a_100020634416_100000204670 [0,0,0,1,0,0|3,0,0]=4 958 B12R1.61 COC(=O)CN1CC[C@H](C1)OC 2230a_100000766984_100000747449 [0,0,0,1,0,0|2,0,1]=4 959 B12R1.61 COC(=O)CN1CC[C@H](C1)OC 269982a_100000766984_100000747449 [0,0,0,1,0,0|2,0,1]=4 960 B12R1.356 COC(=O)CCCCN1CCC1 269982a_100000754969_100000204269 [0,0,0,1,0,0|3,0,0]=4 961 B12R1.356 COC(=O)CCNC[C@@H]1CCO1 2230a_100020831831_100000204255 [0,0,0,1,0,0|2,0,1]=4 962 B12R1.356 COC(=O)CCNC[C@@H]1CCO1 34a_100020831831_100000742370 [0,0,0,1,0,0|2,0,1]=4 963 B12R1.356 COC(=O)CCOCC1CCO1 34a_100000039022_100000742370 [0,0,0,1,0,0|2,0,1]=4 964 B12R1.356 COC(=O)CCSCC1CCO1 62a_100000103362_100000204255 [0,0,0,1,0,0|2,0,1]=4 965 B12R1.356 COC(=O)CCSCC1CCO1 62a_100000204255_100000103362 [0,0,0,1,0,0|2,0,1]=4 966 B12R1.364 CNC(=O)CCNC1CCC1=O 34a_100000738227_100009892977 [0,0,0,1,0,0|3,0,0]=4 967 B12R1.364 CNC(=O)CCOC1CCC1=O 34a_100000754576_100009892977 [0,0,0,1,0,0|3,0,0]=4 968 B12R1.364 CNC(=O)CCSC1CCC1=O 62a_100000737683_100009892977 [0,0,0,1,0,0|3,0,0]=4 969 B12R1.364 CNC(=O)CCSC1CCC1=O 62a_100009892977_100000737683 [0,0,0,1,0,0|3,0,0]=4 970 B12R1.364 COC(=O)CCSC1CCC1=O 62a_100000204255_100009892977 [0,0,0,1,0,0|2,0,0]=3 971 B12R1.364 COC(=O)CCSC1CCC1=O 62a_100009892977_100000204255 [0,0,0,1,0,0|2,0,0]=3 972 B12R1.364 COC(=O)OCSC1CCC1=O 62a_100009892977_100000139417 [0,0,0,1,0,0|3,0,0]=4 973 B12R1.431 COC(=O)CCN1CC(C1)OC 269982a_100000755009_100000204255 [0,0,0,1,0,0|2,0,1]=4 974 B12R1.431 COC(=O)CN[C@H]1C[C@@H](C1)OC 2230a_100121570643_100000747449 [0,0,0,1,0,0|2,0,1]=4 975 B12R1.435 CCC(=O)C1CCCC(C1)OC 1458a_100011215561_100000210202 [0,0,0,1,0,0|2,0,1]=4 976 B12R1.435 CCN1CCC[C@@H](C1)C(=O)OC 2230a_100016988859_100000210202 [0,0,0,1,0,0|3,0,0]=4 977 B12R1.435 CCN1CCC[C@@H](C1)C(=O)OC 269982a_100016988859_100000204670 [0,0,0,1,0,0|3,0,0]=4 978 B12R1.435 CNC(=O)C1CCCC(C1)OC 11a_106832991635_100011215561 [0,0,0,1,0,0|2,0,1]=4 979 B12R1.435 CNC(=O)C1CCCC(C1)OC 1626a_100102657272_100011215561 [0,0,0,1,0,0|2,0,1]=4 980 B12R1.435 CNC(=O)C1CCCC(C1)OC 240690a_100102657272_100011215561 [0,0,0,1,0,0|2,0,1]=4 981 B12R1.435 CNC(=O)C1CCCC(C1)OC 527a_100102657272_100011215561 [0,0,0,1,0,0|2,0,1]=4 982 B12R1.435 COC(=O)C1CCCC(C1)OC 34a_100012184231_200000210301 [0,0,0,1,0,0|1,0,1]=3 983 B12R1.435 COC(=O)C1CCCC(C1)OC 7a_100012184231_200000210301 [0,0,0,1,0,0|1,0,1]=3 984 B12R1.435 COC(=O)C1CCCC(C1)O[13CH3] 34a_100012184231_200025704644 [0,0,0,1,0,0|1,0,1]=3 985 B12R1.435 COC(=O)C1CCCC(C1)O[13CH3] 7a_100012184231_200025704644 [0,0,0,1,0,0|1,0,1]=3 986 B12R1.1686 COC(=O)CCSCC1(CO1)C 62a_100000204255_100000760498 [0,0,0,1,0,0|2,0,1]=4 987 B12R1.1686 COC(=O)CCSCC1(CO1)C 62a_100000760498_100000204255 [0,0,0,1,0,0|2,0,1]=4 988 B12R1.1710 C=CC(=O)N1CC[C@H]1C(=O)OC 1626a_102516456887_100000185746 [0,0,0,1,0,0|2,0,1]=4 989 B12R1.1710 C=CC(=O)N1CC[C@H]1C(=O)OC 240690a_102516456887_200121576911 [0,0,0,1,0,0|2,0,1]=4 990 B12R1.1710 CCC(=O)N1CC[C@H]1C(=O)OC 11a_102516456887_100000210414 [0,0,0,1,0,0|2,0,0]=3 991 B12R1.1710 CCC(=O)N1CC[C@H]1C(=O)OC 1626a_102516456887_100000210414 [0,0,0,1,0,0|2,0,0]=3 992 B12R1.1710 CCC(=O)N1CC[C@H]1C(=O)OC 240690a_102516456887_100000210414 [0,0,0,1,0,0|2,0,0]=3 993 B12R1.1710 CCC(=O)N1CC[C@H]1C(=O)OC 527a_102516456887_100000210414 [0,0,0,1,0,0|2,0,0]=3 994 B12R1.1710 CCC(=O)[C@H]1CC[C@H]1C(=O)OC 1458a_100009908320_100000210202 [0,0,0,1,0,0|1,0,0]=2 995 B12R1.1710 CNC(=O)[C@H]1CC[C@H]1C(=O)OC 11a_106832991635_100009908320 [0,0,0,1,0,0|1,0,0]=2 996 B12R1.1710 CNC(=O)[C@H]1CC[C@H]1C(=O)OC 240690a_100102657272_100009908320 [0,0,0,1,0,0|1,0,0]=2 997 B12R1.1710 COC(=O)[C@@H]1CCN1C(=O)CO 240690a_102516456887_100000210174 [0,0,0,1,0,0|3,0,0]=4 998 B12R1.1710 COC(=O)[C@@H]1CCN1C(=O)CO 527a_102516456887_100000210174 [0,0,0,1,0,0|3,0,0]=4 999 B12R1.1710 COC(=O)[C@@H]1CCN1C(C)OC 269982a_102516456887_100009879195 [0,0,0,1,0,0|2,0,1]=4 1000 B12R1.1710 COC(=O)[C@@H]1CC[C@@H]1C(=O)CF 1458a_100009908320_100015361967 [0,0,0,1,0,0|2,0,0]=3 1001 B12R1.1747 CNC(=O)CN1CC1C(=O)OC 2230a_200009830135_100000183359 [0,0,0,1,0,0|2,0,0]=3 1002 B12R1.1747 COC(=O)CN1CC1C(=O)OC 2230a_200009830135_100000747449 [0,0,0,1,0,0|1,0,0]=2 1003 B10R0.59 C#CC(=O)CCCC(=O)NC 1458a_100000211873_100000741757 [0,0,0,0,1,0|2,0,1]=4 1004 B10R0.59 C#CC(=O)CCCC(=O)OC 1458a_100000211873_100011218270 [0,0,0,0,1,0|1,0,1]=3 1005 B10R0.59 C=CC(=O)CCCC(=O)NC 1458a_100000185746_100000741757 [0,0,0,0,1,0|2,0,1]=4 1006 B10R0.59 C=CC(=O)CCCC(=O)OC 1458a_100000185746_100011218270 [0,0,0,0,1,0|1,0,1]=3 1007 B10R0.59 CCC(=O)CCCC(=O)NC 1458a_100000210414_100000741757 [0,0,0,0,1,0|2,0,0]=3 1008 B10R0.59 CCC(=O)CCCC(=O)OC 1458a_100000210414_100011218270 [0,0,0,0,1,0|1,0,0]=2 1009 B10R0.59 CCC(=O)CCCC(=O)OC 1458a_100000239890_100000210202 [0,0,0,0,1,0|1,0,0]=2 1010 B10R0.59 CCC(=O)CCOC(=O)NC 1458a_100000210414_200011997002 [0,0,0,0,1,0|3,0,0]=4 1011 B10R0.59 CCC(=O)COCC(=O)NC 34a_100000725409_100000183359 [0,0,0,0,1,0|3,0,0]=4 1012 B10R0.59 CCC(=O)COCC(=O)OC 34a_100000725409_100000747449 [0,0,0,0,1,0|2,0,0]=3 1013 B10R0.59 CCC(=O)CSCC(=O)CC 62a_100000747405_100000747405 [0,0,0,0,1,0|3,0,0]=4 1014 B10R0.59 CCC(=O)CSCC(=O)NC 62a_100000183359_100000747405 [0,0,0,0,1,0|3,0,0]=4 1015 B10R0.59 CCC(=O)CSCC(=O)NC 62a_100000747405_100000183359 [0,0,0,0,1,0|3,0,0]=4 1016 B10R0.59 CCC(=O)CSCC(=O)OC 1458a_100000191316_100000210202 [0,0,0,0,1,0|2,0,0]=3 1017 B10R0.59 CCC(=O)CSCC(=O)OC 62a_100000747405_100000747449 [0,0,0,0,1,0|2,0,0]=3 1018 B10R0.59 CCC(=O)CSCC(=O)OC 62a_100000747449_100000747405 [0,0,0,0,1,0|2,0,0]=3 1019 B10R0.59 CCC(=O)NCCC(=O)NC 11a_100000738227_100000210414 [0,0,0,0,1,0|3,0,0]=4 1020 B10R0.59 CCC(=O)NCCC(=O)NC 240690a_100000738227_100000210414 [0,0,0,0,1,0|3,0,0]=4 1021 B10R0.59 CCC(=O)NCCC(=O)NC 527a_100000738227_100000210414 [0,0,0,0,1,0|3,0,0]=4 1022 B10R0.59 CCC(=O)NCCC(=O)OC 188690a_100000683876_100000210414 [0,0,0,0,1,0|2,0,0]=3 1023 B10R0.59 CCN(C)CCCC(=O)OC 2230a_100000225621_100011218270 [0,0,0,0,1,0|3,0,0]=4 1024 B10R0.59 CCN(C)CCCC(=O)OC 269982a_100000225621_100011218270 [0,0,0,0,1,0|3,0,0]=4 1025 B10R0.59 CCN(C)CCCC(=O)OC 269982a_100000739225_100000204670 [0,0,0,0,1,0|3,0,0]=4 1026 B10R0.59 CNC(=O)CCCC(=O)CO 1458a_100000210174_100000741757 [0,0,0,0,1,0|3,0,0]=4 1027 B10R0.59 CNC(=O)CCCC(=O)OC 11a_106832991635_100000239890 [0,0,0,0,1,0|1,0,0]=2 1028 B10R0.59 CNC(=O)CCCC(=O)OC 1626a_100102657272_100000239890 [0,0,0,0,1,0|1,0,0]=2 1029 B10R0.59 CNC(=O)CCCC(=O)OC 240690a_100102657272_100000239890 [0,0,0,0,1,0|1,0,0]=2 1030 B10R0.59 CNC(=O)CCCC(=O)OC 527a_100102657272_100000239890 [0,0,0,0,1,0|1,0,0]=2 1031 B10R0.59 CNC(=O)CCNC(=O)NC 2708a_100102657272_100000738227 [0,0,0,0,1,0|3,0,0]=4 1032 B10R0.59 CNC(=O)CCNC(=O)NC 273464a_100000738227_100102657272 [0,0,0,0,1,0|3,0,0]=4 1033 B10R0.59 CNC(=O)CCNC(=O)NC 273464a_100102657272_100000738227 [0,0,0,0,1,0|3,0,0]=4 1034 B10R0.59 CNC(=O)CCNC(=O)NC 512a_100000738227_100102657272 [0,0,0,0,1,0|3,0,0]=4 1035 B10R0.59 CNC(=O)CCNC(=O)NC 512a_106832991638_100000738227 [0,0,0,0,1,0|3,0,0]=4 1036 B10R0.59 CNC(=O)CNCC(=O)NC 2230a_100000693194_100000183359 [0,0,0,0,1,0|3,0,0]=4 1037 B10R0.59 CNC(=O)CNCC(=O)OC 2230a_100000693194_100000747449 [0,0,0,0,1,0|2,0,0]=3 1038 B10R0.59 CNC(=O)COCC(=O)NC 34a_100000750040_100000183359 [0,0,0,0,1,0|3,0,0]=4 1039 B10R0.59 CNC(=O)COCC(=O)OC 34a_100000750040_100000747449 [0,0,0,0,1,0|2,0,0]=3 1040 B10R0.59 CNC(=O)CSCC(=O)NC 62a_100000183359_100000183359 [0,0,0,0,1,0|3,0,0]=4 1041 B10R0.59 CNC(=O)CSCC(=O)OC 11a_106832991635_100000191316 [0,0,0,0,1,0|2,0,0]=3 1042 B10R0.59 CNC(=O)CSCC(=O)OC 1626a_100102657272_100000191316 [0,0,0,0,1,0|2,0,0]=3 1043 B10R0.59 CNC(=O)CSCC(=O)OC 240690a_100102657272_100000191316 [0,0,0,0,1,0|2,0,0]=3 1044 B10R0.59 CNC(=O)CSCC(=O)OC 62a_100000183359_100000747449 [0,0,0,0,1,0|2,0,0]=3 1045 B10R0.59 CNC(=O)CSCC(=O)OC 62a_100000747449_100000183359 [0,0,0,0,1,0|2,0,0]=3 1046 B10R0.59 COC(=O)CCCC(=O)CF 1458a_100000239890_100015361967 [0,0,0,0,1,0|2,0,0]=3 1047 B10R0.59 COC(=O)CCCC(=O)CO 1458a_100000210174_100011218270 [0,0,0,0,1,0|2,0,0]=3 1048 B10R0.59 COC(=O)CCNC(=O)CO 188690a_100000683876_100000210174 [0,0,0,0,1,0|3,0,0]=4 1049 B10R0.59 COC(=O)CCSC(C)OC 62a_100000204255_100009879195 [0,0,0,0,1,0|2,0,1]=4 1050 B10R0.59 COC(=O)CCSC(C)OC 62a_100009879195_100000204255 [0,0,0,0,1,0|2,0,1]=4 1051 B10R0.59 COC(=O)CNC[C@@H](C)OC 2230a_100020591295_100000747449 [0,0,0,0,1,0|2,0,1]=4 1052 B10R0.59 COC(=O)COCC(C)OC 34a_100000690652_100000747449 [0,0,0,0,1,0|2,0,1]=4 1053 B10R0.59 COC(=O)CSCC(=O)CF 1458a_100000191316_100015361967 [0,0,0,0,1,0|3,0,0]=4 1054 B10R0.59 COC(=O)CSCC(=O)OC 62a_100000747449_100000747449 [0,0,0,0,1,0|1,0,0]=2 1055 B12R0.183 C#CC(=O)CCCCCC(=O)OC 1458a_100000211873_100009816466 [0,0,0,0,0,1|1,0,1]=3 1056 B12R0.183 C=C(C#N)CSCCCC(=O)OC 62a_100011218270_100000694840 [0,0,0,0,0,1|3,0,0]=4 1057 B12R0.183 C=CC(=O)CCCCCC(=O)OC 1458a_100000185746_100009816466 [0,0,0,0,0,1|1,0,1]=3 1058 B12R0.183 C=CC(=O)NCCNCC(=O)OC 2230a_114873766552_100000747449 [0,0,0,0,0,1|2,0,1]=4 1059 B12R0.183 C=CC(=O)NCCOCC(=O)OC 34a_100011304386_100000747449 [0,0,0,0,0,1|2,0,1]=4 1060 B12R0.183 C=CC(=O)OCCSCC(=O)OC 62a_100000747449_100009813456 [0,0,0,0,0,1|2,0,1]=4 1061 B12R0.183 C=CC(=O)OCCSCC(=O)OC 62a_100009813456_100000747449 [0,0,0,0,0,1|2,0,1]=4 1062 B12R0.183 CCC(=O)CCCCCC(=O)OC 1458a_100000210414_100009816466 [0,0,0,0,0,1|1,0,0]=2 1063 B12R0.183 CCC(=O)CCCCCC(=O)OC 1458a_100009848860_100000210202 [0,0,0,0,0,1|1,0,0]=2 1064 B12R0.183 CCC(=O)COC/C=C/C(=O)OC 34a_100000725409_100000742655 [0,0,0,0,0,1|1,0,2]=4 1065 B12R0.183 CCC(=O)COCCCC(=O)NC 34a_100000725409_100000741757 [0,0,0,0,0,1|2,0,0]=3 1066 B12R0.183 CCC(=O)COCCCC(=O)OC 34a_100000725409_100000742333 [0,0,0,0,0,1|1,0,0]=2 1067 B12R0.183 CCC(=O)COCCNC(=O)CC 7a_200000158885_100000747405 [0,0,0,0,0,1|3,0,0]=4 1068 B12R0.183 CCC(=O)COCCOC(=O)CC 7a_200000031056_100000747405 [0,0,0,0,0,1|3,0,0]=4 1069 B12R0.183 CCC(=O)COCCOC(=O)NC 34a_100000725409_200011997002 [0,0,0,0,0,1|3,0,0]=4 1070 B12R0.183 CCC(=O)CSC/C=C/C(=O)OC 62a_100000742655_100000747405 [0,0,0,0,0,1|1,0,2]=4 1071 B12R0.183 CCC(=O)CSC/C=C/C(=O)OC 62a_100000747405_100000742655 [0,0,0,0,0,1|1,0,2]=4 1072 B12R0.183 CCC(=O)CSCCCC(=O)NC 62a_100000741757_100000747405 [0,0,0,0,0,1|2,0,0]=3 1073 B12R0.183 CCC(=O)CSCCCC(=O)NC 62a_100000747405_100000741757 [0,0,0,0,0,1|2,0,0]=3 1074 B12R0.183 CCC(=O)CSCCCC(=O)OC 62a_100000747405_100011218270 [0,0,0,0,0,1|1,0,0]=2 1075 B12R0.183 CCC(=O)CSCCCC(=O)OC 62a_100011218270_100000747405 [0,0,0,0,0,1|1,0,0]=2 1076 B12R0.183 CCC(=O)CSCCOC(=O)NC 62a_100000747405_200011997002 [0,0,0,0,0,1|3,0,0]=4 1077 B12R0.183 CCC(=O)CSCCOC(=O)NC 62a_200011997002_100000747405 [0,0,0,0,0,1|3,0,0]=4 1078 B12R0.183 CCC(=O)NCCCCC(=O)OC 188690a_100000746077_100000210414 [0,0,0,0,0,1|1,0,0]=2 1079 B12R0.183 CCC(=O)NCCNCC(=O)NC 34a_100132302217_100000183359 [0,0,0,0,0,1|3,0,0]=4 1080 B12R0.183 CCC(=O)NCCNCC(=O)OC 34a_100132302217_100000747449 [0,0,0,0,0,1|2,0,0]=3 1081 B12R0.183 CCC(=O)NCCOCC(=O)NC 34a_200000158885_100000183359 [0,0,0,0,0,1|3,0,0]=4 1082 B12R0.183 CCC(=O)NCCOCC(=O)NC 7a_200000158885_100000183359 [0,0,0,0,0,1|3,0,0]=4 1083 B12R0.183 CCC(=O)NCCOCC(=O)OC 34a_200000158885_100000747449 [0,0,0,0,0,1|2,0,0]=3 1084 B12R0.183 CCC(=O)NCCOCC(=O)OC 7a_200000158885_100000747449 [0,0,0,0,0,1|2,0,0]=3 1085 B12R0.183 CCC(=O)NN=CCCC(=O)OC 4a_100000183195_100012047195 [0,0,0,0,0,1|2,0,1]=4 1086 B12R0.183 CCC(=O)OCCOCC(=O)NC 7a_200000031056_100000183359 [0,0,0,0,0,1|3,0,0]=4 1087 B12R0.183 CCC(=O)OCCOCC(=O)OC 7a_200000031056_100000747449 [0,0,0,0,0,1|2,0,0]=3 1088 B12R0.183 CCC(C)CCCOCC(=O)OC 7a_100011216074_100000747449 [0,0,0,0,0,1|2,0,1]=4 1089 B12R0.183 CCC(C)CCNCCC(=O)OC 2230a_100020591266_100000204255 [0,0,0,0,0,1|2,0,1]=4 1090 B12R0.183 CCC(C)CCOCCC(=O)OC 7a_100011215188_100000204255 [0,0,0,0,0,1|2,0,1]=4 1091 B12R0.183 CCC(C)CNCCCC(=O)OC 2230a_100020588543_100011218270 [0,0,0,0,0,1|2,0,1]=4 1092 B12R0.183 CCC(C)CSCCCC(=O)OC 62a_100000748023_100011218270 [0,0,0,0,0,1|2,0,1]=4 1093 B12R0.183 CCC(C)CSCCCC(=O)OC 62a_100011218270_100000748023 [0,0,0,0,0,1|2,0,1]=4 1094 B12R0.183 CCC(C)NCCCCC(=O)OC 2230a_100000209981_100000204269 [0,0,0,0,0,1|2,0,1]=4 1095 B12R0.183 CCC(C)OCCCCC(=O)OC 34a_100000059025_100011215416 [0,0,0,0,0,1|2,0,1]=4 1096 B12R0.183 CCC(C)OCCCCC(=O)OC 7a_100000059025_100000758301 [0,0,0,0,0,1|2,0,1]=4 1097 B12R0.183 CCC(C)OCCCCC(=O)OC 7a_100000210228_100000204269 [0,0,0,0,0,1|2,0,1]=4 1098 B12R0.183 CCC(C)SCCCCC(=O)OC 62a_100000204269_100000758301 [0,0,0,0,0,1|2,0,1]=4 1099 B12R0.183 CCC(C)SCCCCC(=O)OC 62a_100000758301_100000204269 [0,0,0,0,0,1|2,0,1]=4 1100 B12R0.183 CCC(O)CNCCCC(=O)OC 2230a_100011218483_100011218270 [0,0,0,0,0,1|1,0,2]=4 1101 B12R0.183 CCC(O)CSCCCC(=O)OC 62a_100011218270_100011218378 [0,0,0,0,0,1|1,0,2]=4 1102 B12R0.183 CCC(O)CSCCCC(=O)OC 62a_100011218378_100011218270 [0,0,0,0,0,1|1,0,2]=4 1103 B12R0.183 CCN(C)CCCCCC(=O)OC 2230a_100000225621_100009816466 [0,0,0,0,0,1|3,0,0]=4 1104 B12R0.183 CCN(C)CCCCCC(=O)OC 269982a_100000225621_100009816466 [0,0,0,0,0,1|3,0,0]=4 1105 B12R0.183 CCN(C)CCCSCC(=O)OC 62a_100000747449_100015186262 [0,0,0,0,0,1|3,0,0]=4 1106 B12R0.183 CC[C@H](C)COCCCC(=O)OC 7a_100009816381_100011218270 [0,0,0,0,0,1|2,0,1]=4 1107 B12R0.183 CC[C@H](C)CSCCCC(=O)OC 62a_100009816398_100011218270 [0,0,0,0,0,1|2,0,1]=4 1108 B12R0.183 CC[C@H](C)CSCCCC(=O)OC 62a_100011218270_100009816398 [0,0,0,0,0,1|2,0,1]=4 1109 B12R0.183 CNC(=O)CCCCCC(=O)OC 11a_106832991635_100009848860 [0,0,0,0,0,1|1,0,0]=2 1110 B12R0.183 CNC(=O)CCCCCC(=O)OC 1626a_100102657272_100009848860 [0,0,0,0,0,1|1,0,0]=2 1111 B12R0.183 CNC(=O)CCCCCC(=O)OC 240690a_100102657272_100009848860 [0,0,0,0,0,1|1,0,0]=2 1112 B12R0.183 CNC(=O)CCCNCC(=O)NC 2230a_100000693194_100000741757 [0,0,0,0,0,1|2,0,0]=3 1113 B12R0.183 CNC(=O)CCCNCC(=O)NC 2230a_100000740002_100000183359 [0,0,0,0,0,1|2,0,0]=3 1114 B12R0.183 CNC(=O)CCCNCC(=O)NC 34a_100000740002_100000183359 [0,0,0,0,0,1|2,0,0]=3 1115 B12R0.183 CNC(=O)CCCNCC(=O)OC 2230a_100000740002_100000747449 [0,0,0,0,0,1|1,0,0]=2 1116 B12R0.183 CNC(=O)CCCNCC(=O)OC 34a_100000740002_100000747449 [0,0,0,0,0,1|1,0,0]=2 1117 B12R0.183 CNC(=O)CCCNC[C@@H](C)OC 2230a_100020591295_100000741757 [0,0,0,0,0,1|2,0,1]=4 1118 B12R0.183 CNC(=O)CCCOCC(=O)NC 34a_100000750040_100000741757 [0,0,0,0,0,1|2,0,0]=3 1119 B12R0.183 CNC(=O)CCCOCC(C)OC 34a_100000690652_100000741757 [0,0,0,0,0,1|2,0,1]=4 1120 B12R0.183 CNC(=O)CCCSCC(=O)NC 62a_100000183359_100000741757 [0,0,0,0,0,1|2,0,0]=3 1121 B12R0.183 CNC(=O)CCCSCC(=O)NC 62a_100000741757_100000183359 [0,0,0,0,0,1|2,0,0]=3 1122 B12R0.183 CNC(=O)CCCSCC(=O)OC 62a_100000741757_100000747449 [0,0,0,0,0,1|1,0,0]=2 1123 B12R0.183 CNC(=O)CCCSCC(=O)OC 62a_100000747449_100000741757 [0,0,0,0,0,1|1,0,0]=2 1124 B12R0.183 CNC(=O)CCNCCC(=O)NC 2230a_100000738227_100000737683 [0,0,0,0,0,1|2,0,0]=3 1125 B12R0.183 CNC(=O)CCNCCC(=O)NC 34a_100000738227_100012179268 [0,0,0,0,0,1|2,0,0]=3 1126 B12R0.183 CNC(=O)CCNCCC(=O)OC 2230a_100000738227_100000204255 [0,0,0,0,0,1|1,0,0]=2 1127 B12R0.183 CNC(=O)CCNCCC(=O)OC 34a_100000738227_100000742370 [0,0,0,0,0,1|1,0,0]=2 1128 B12R0.183 CNC(=O)CCOCCC(=O)NC 34a_100000754576_100012179268 [0,0,0,0,0,1|2,0,0]=3 1129 B12R0.183 CNC(=O)CCOCCC(=O)OC 34a_100000754576_100000742370 [0,0,0,0,0,1|1,0,0]=2 1130 B12R0.183 CNC(=O)CCOCCC(C)OC 7a_100000764861_100000737683 [0,0,0,0,0,1|2,0,1]=4 1131 B12R0.183 CNC(=O)CCSCCC(=O)NC 62a_100000737683_100000737683 [0,0,0,0,0,1|2,0,0]=3 1132 B12R0.183 CNC(=O)CCSCCC(=O)OC 62a_100000204255_100000737683 [0,0,0,0,0,1|1,0,0]=2 1133 B12R0.183 CNC(=O)CCSCCC(=O)OC 62a_100000737683_100000204255 [0,0,0,0,0,1|1,0,0]=2 1134 B12R0.183 CNC(=O)CCSCOC(=O)OC 62a_100000737683_100000139417 [0,0,0,0,0,1|2,0,0]=3 1135 B12R0.183 CNC(=O)CNC/C=C/C(=O)OC 2230a_100000693194_100000742655 [0,0,0,0,0,1|1,0,2]=4 1136 B12R0.183 CNC(=O)CNCCCC(=O)OC 2230a_100000693194_100011218270 [0,0,0,0,0,1|1,0,0]=2 1137 B12R0.183 CNC(=O)CNCCNC(=O)NC 34a_100015205895_100000183359 [0,0,0,0,0,1|3,0,0]=4 1138 B12R0.183 CNC(=O)COC/C=C/C(=O)OC 34a_100000750040_100000742655 [0,0,0,0,0,1|1,0,2]=4 1139 B12R0.183 CNC(=O)COCCCC(=O)NN 34a_100000211488_100000183359 [0,0,0,0,0,1|3,0,0]=4 1140 B12R0.183 CNC(=O)COCCCC(=O)OC 34a_100000750040_100000742333 [0,0,0,0,0,1|1,0,0]=2 1141 B12R0.183 CNC(=O)COCCNC(=O)OC 34a_100000757965_100000183359 [0,0,0,0,0,1|2,0,0]=3 1142 B12R0.183 CNC(=O)COCCOC(=O)NC 34a_100000750040_200011997002 [0,0,0,0,0,1|3,0,0]=4 1143 B12R0.183 CNC(=O)COCCOC(=O)OC 34a_100010262106_100000183359 [0,0,0,0,0,1|2,0,0]=3 1144 B12R0.183 CNC(=O)CSC/C=C/C(=O)OC 62a_100000183359_100000742655 [0,0,0,0,0,1|1,0,2]=4 1145 B12R0.183 CNC(=O)CSC/C=C/C(=O)OC 62a_100000742655_100000183359 [0,0,0,0,0,1|1,0,2]=4 1146 B12R0.183 CNC(=O)CSCCCC(=O)OC 62a_100000183359_100011218270 [0,0,0,0,0,1|1,0,0]=2 1147 B12R0.183 CNC(=O)CSCCCC(=O)OC 62a_100011218270_100000183359 [0,0,0,0,0,1|1,0,0]=2 1148 B12R0.183 CNC(=O)CSCCOC(=O)NC 62a_100000183359_200011997002 [0,0,0,0,0,1|3,0,0]=4 1149 B12R0.183 CNC(=O)CSCCOC(=O)NC 62a_200011997002_100000183359 [0,0,0,0,0,1|3,0,0]=4 1150 B12R0.183 CNC(=O)NCCNCC(=O)OC 34a_100015205895_100000747449 [0,0,0,0,0,1|2,0,0]=3 1151 B12R0.183 CNC(=O)OCCSCC(=O)OC 62a_100000747449_200011997002 [0,0,0,0,0,1|2,0,0]=3 1152 B12R0.183 CNC(=O)OCCSCC(=O)OC 62a_200011997002_100000747449 [0,0,0,0,0,1|2,0,0]=3 1153 B12R0.183 COC(=O)/C=C/CSCC(=O)OC 62a_100000742655_100000747449 [0,0,0,0,0,1|0,0,2]=3 1154 B12R0.183 COC(=O)/C=C/CSCC(=O)OC 62a_100000747449_100000742655 [0,0,0,0,0,1|0,0,2]=3 1155 B12R0.183 COC(=O)CCCCCC(=O)CF 1458a_100009848860_100015361967 [0,0,0,0,0,1|2,0,0]=3 1156 B12R0.183 COC(=O)CCCCCC(=O)CO 1458a_100000210174_100009816466 [0,0,0,0,0,1|2,0,0]=3 1157 B12R0.183 COC(=O)CCCCNC(=O)CO 188690a_100000746077_100000210174 [0,0,0,0,0,1|2,0,0]=3 1158 B12R0.183 COC(=O)CCCCSC(C)OC 62a_100000204269_100009879195 [0,0,0,0,0,1|1,0,1]=3 1159 B12R0.183 COC(=O)CCCCSC(C)OC 62a_100009879195_100000204269 [0,0,0,0,0,1|1,0,1]=3 1160 B12R0.183 COC(=O)CCCNC[C@@H](C)OC 2230a_100020591295_100011218270 [0,0,0,0,0,1|1,0,1]=3 1161 B12R0.183 COC(=O)CCCOCC(C)OC 34a_100000690652_100000742333 [0,0,0,0,0,1|1,0,1]=3 1162 B12R0.183 COC(=O)CCCSCC(=O)OC 62a_100000747449_100011218270 [0,0,0,0,0,1|0,0,0]=1 1163 B12R0.183 COC(=O)CCCSCC(=O)OC 62a_100011218270_100000747449 [0,0,0,0,0,1|0,0,0]=1 1164 B12R0.183 COC(=O)CCOCCC(=NO)N 34a_100000749954_100000742370 [0,0,0,0,0,1|3,0,0]=4 1165 B12R0.183 COC(=O)CCOCCC(C)OC 7a_100000764861_100000204255 [0,0,0,0,0,1|1,0,1]=3 1166 B12R0.183 COC(=O)CCSCCC(=O)OC 62a_100000204255_100000204255 [0,0,0,0,0,1|0,0,0]=1 1167 B12R0.183 COC(=O)CCSCOC(=O)OC 62a_100000204255_100000139417 [0,0,0,0,0,1|1,0,0]=2 1168 B12R0.183 COC(=O)COCCCC(=O)NN 34a_100000211488_100000747449 [0,0,0,0,0,1|2,0,0]=3 1169 B12R0.183 COC(=O)COCCNC(=O)OC 34a_100000757965_100000747449 [0,0,0,0,0,1|1,0,0]=2 1170 B12R0.183 COC(=O)COCCOC(=O)OC 34a_100010262106_100000747449 [0,0,0,0,0,1|1,0,0]=2 1171 B12R0.183 COC(=O)COCCSC(C)OC 62a_100000090808_100009879195 [0,0,0,0,0,1|2,0,1]=4 1172 B12R0.183 COC(=O)COCCSC(C)OC 62a_100009879195_100000090808 [0,0,0,0,0,1|2,0,1]=4 1173 B9R0.2 C/C=C/COCCC(=O)C 34a_100000759926_100102629194 [2,0,0,0,0,0|2,0,0]=4 1174 B9R0.2 C/C=C/COCCC(=O)C 7a_100000759926_100102629194 [2,0,0,0,0,0|2,0,0]=4 1175 B9R0.2 C/C=C/CSCCC(=O)C 62a_100000053229_100102629194 [2,0,0,0,0,0|2,0,0]=4 1176 B9R0.2 C/C=C/CSCCC(=O)C 62a_100102629194_100000053229 [2,0,0,0,0,0|2,0,0]=4 1177 B9R0.2 CC(=O)OCCCCO[13CH3] 34a_100000073216_200025704644 [2,0,0,0,0,0|1,0,1]=4 1178 B9R0.2 CC(=O)OCCCCO[13CH3] 7a_100000073216_200025704644 [2,0,0,0,0,0|1,0,1]=4 1179 B9R0.2 CC=CCOCCC(=O)C 34a_100000759926_100000070051 [2,0,0,0,0,0|2,0,0]=4 1180 B9R0.2 CC=CCOCCC(=O)C 7a_100000759926_100000070051 [2,0,0,0,0,0|2,0,0]=4 1181 B9R0.2 CC=CCSCCC(=O)C 62a_100000053229_100000070051 [2,0,0,0,0,0|2,0,0]=4 1182 B9R0.2 CC=CCSCCC(=O)C 62a_100000070051_100000053229 [2,0,0,0,0,0|2,0,0]=4 1183 B9R0.2 CCCCCCCC(=O)C 1458a_100000070787_100000210614 [2,0,0,0,0,0|1,0,1]=4 1184 B9R0.2 CCCCCCCC(=O)C 1458a_100000211969_200000210301 [2,0,0,0,0,0|1,0,1]=4 1185 B9R0.2 CCCCCCCC(=O)[13CH3] 1458a_100000211969_200025704644 [2,0,0,0,0,0|1,0,1]=4 1186 B9R0.2 CCOCCCCC(=O)C 34a_100121572206_100009817362 [2,0,0,0,0,0|2,0,0]=4 1187 B9R0.2 CCSCCCCC(=O)C 62a_100000210202_100000735457 [2,0,0,0,0,0|2,0,0]=4 1188 B9R0.2 CCSCCCCC(=O)C 62a_100000735457_100000210202 [2,0,0,0,0,0|2,0,0]=4 1189 B9R0.2 COCCCCCC(=O)C 1458a_100011935119_200000210301 [2,0,0,0,0,0|0,0,1]=3 1190 B9R0.2 COCCCCCC(=O)N 34a_100000123541_200000210301 [2,0,0,0,0,0|1,0,1]=4 1191 B9R0.2 COCCCCCC(=O)N 34a_100138415774_100009817443 [2,0,0,0,0,0|1,0,1]=4 1192 B9R0.2 COCCCCCC(=O)N 7a_100000123541_200000210301 [2,0,0,0,0,0|1,0,1]=4 1193 B9R0.2 COCCCCCC(=O)[13CH3] 1458a_100011935119_200025704644 [2,0,0,0,0,0|0,0,1]=3 1194 B9R0.2 COCCCCCC(=O)[O-] 7a_100102619762_200000210301 [2,0,0,0,0,0|0,0,2]=4 1195 B9R0.2 COCCCCOC(=O)C 34a_100000073216_200000210301 [2,0,0,0,0,0|1,0,1]=4 1196 B9R0.2 COCCCCOC(=O)C 34a_100138415774_100000033659 [2,0,0,0,0,0|1,0,1]=4 1197 B9R0.2 COCCCCOC(=O)C 7a_100000073216_200000210301 [2,0,0,0,0,0|1,0,1]=4 1198 B9R0.2 COCCCCSC(=O)C 34a_100138415774_200010402107 [2,0,0,0,0,0|1,0,1]=4 1199 B9R0.2 COCCCNCC(=O)O 269956a_100016091260_100000740836 [2,0,0,0,0,0|1,0,1]=4 1200 B9R0.2 COCCCOCC(=O)C 34a_100000211253_100000740836 [2,0,0,0,0,0|1,0,1]=4 1201 B9R0.2 COCCOCCC(=O)C 1458a_100000070787_100000695917 [2,0,0,0,0,0|1,0,1]=4 1202 B9R0.2 COCCOCCC(=O)C 1458a_100000745395_200000210301 [2,0,0,0,0,0|1,0,1]=4 1203 B9R0.2 COCCOCCC(=O)C 34a_100000759926_100011201679 [2,0,0,0,0,0|1,0,1]=4 1204 B9R0.2 COCCOCCC(=O)C 7a_100000759926_100000233755 [2,0,0,0,0,0|1,0,1]=4 1205 B9R0.2 COCCOCCC(=O)[13CH3] 1458a_100000745395_200025704644 [2,0,0,0,0,0|1,0,1]=4 1206 B9R0.2 COCCSCCC(=O)C 62a_100000053229_100000233755 [2,0,0,0,0,0|1,0,1]=4 1207 B9R0.2 COCCSCCC(=O)C 62a_100000233755_100000053229 [2,0,0,0,0,0|1,0,1]=4 1208 B9R0.2 COCSCCCC(=O)C 62a_100000766300_100011215641 [2,0,0,0,0,0|1,0,1]=4 1209 B9R0.2 COCSCCCC(=O)C 62a_100011215641_100000766300 [2,0,0,0,0,0|1,0,1]=4 1210 B9R0.2 [13CH3]OCCCCCC(=O)N 34a_100000123541_200025704644 [2,0,0,0,0,0|1,0,1]=4 1211 B9R0.2 [13CH3]OCCCCCC(=O)N 7a_100000123541_200025704644 [2,0,0,0,0,0|1,0,1]=4 1212 B9R0.2 [13CH3]OCCCCCC(=O)[O-] 7a_100102619762_200025704644 [2,0,0,0,0,0|0,0,2]=4 1213 B9R0.46 C#CC(=O)CCCCOC 1458a_100000211873_100000755781 [2,0,0,0,0,0|1,0,1]=4 1214 B9R0.46 C/C=C/COCC(=O)OC 34a_100016270725_100000747449 [2,0,0,0,0,0|1,0,1]=4 1215 B9R0.46 C/C=C/CSCC(=O)OC 62a_100000747449_100102629194 [2,0,0,0,0,0|1,0,1]=4 1216 B9R0.46 C/C=C/CSCC(=O)OC 62a_100102629194_100000747449 [2,0,0,0,0,0|1,0,1]=4 1217 B9R0.46 C=CC(=O)CCCCOC 1458a_100000185746_100000755781 [2,0,0,0,0,0|1,0,1]=4 1218 B9R0.46 C=CCCCCC(=O)CC 1458a_100000210414_100011215482 [2,0,0,0,0,0|1,0,1]=4 1219 B9R0.46 C=CCCCCC(=O)CC 1458a_100011215552_100000210202 [2,0,0,0,0,0|1,0,1]=4 1220 B9R0.46 C=CCCCCC(=O)NC 11a_106832991635_100011215552 [2,0,0,0,0,0|1,0,1]=4 1221 B9R0.46 C=CCCCCC(=O)NC 1626a_100102657272_100011215552 [2,0,0,0,0,0|1,0,1]=4 1222 B9R0.46 C=CCCCCC(=O)NC 240690a_100102657272_100011215552 [2,0,0,0,0,0|1,0,1]=4 1223 B9R0.46 C=CCCCCC(=O)NC 527a_100102657272_100011215552 [2,0,0,0,0,0|1,0,1]=4 1224 B9R0.46 C=CCCNCC(=O)OC 2230a_100015191253_100000747449 [2,0,0,0,0,0|1,0,1]=4 1225 B9R0.46 C=CCCOCC(=O)OC 34a_100011205117_100000747449 [2,0,0,0,0,0|1,0,1]=4 1226 B9R0.46 C=CCCSCC(=O)OC 62a_100000747449_100000754431 [2,0,0,0,0,0|1,0,1]=4 1227 B9R0.46 C=CCCSCC(=O)OC 62a_100000754431_100000747449 [2,0,0,0,0,0|1,0,1]=4 1228 B9R0.46 C=CCNCCC(=O)OC 2230a_100020586998_100000204255 [2,0,0,0,0,0|1,0,1]=4 1229 B9R0.46 C=CCOCCC(=O)OC 34a_200000210373_100000742370 [2,0,0,0,0,0|1,0,1]=4 1230 B9R0.46 C=CCSCCC(=O)OC 62a_100000204255_100000210623 [2,0,0,0,0,0|1,0,1]=4 1231 B9R0.46 C=CCSCCC(=O)OC 62a_100000210623_100000204255 [2,0,0,0,0,0|1,0,1]=4 1232 B9R0.46 CC=CCSCC(=O)OC 62a_100000070051_100000747449 [2,0,0,0,0,0|1,0,1]=4 1233 B9R0.46 CC=CCSCC(=O)OC 62a_100000747449_100000070051 [2,0,0,0,0,0|1,0,1]=4 1234 B9R0.46 CCC(=O)CCCCCO 1458a_100000210414_100000746330 [2,0,0,0,0,0|1,0,1]=4 1235 B9R0.46 CCC(=O)CCCCCO 1458a_100102619762_100000210202 [2,0,0,0,0,0|1,0,1]=4 1236 B9R0.46 CCC(=O)CCCCOC 1458a_100000210414_100000755781 [2,0,0,0,0,0|1,0,0]=3 1237 B9R0.46 CCC(=O)COCCOC 1458a_100000211095_100000210202 [2,0,0,0,0,0|2,0,0]=4 1238 B9R0.46 CCC(=O)COCCOC 34a_100000725409_100011201679 [2,0,0,0,0,0|2,0,0]=4 1239 B9R0.46 CCC(=O)CSCCOC 62a_100000233755_100000747405 [2,0,0,0,0,0|2,0,0]=4 1240 B9R0.46 CCC(=O)CSCCOC 62a_100000747405_100000233755 [2,0,0,0,0,0|2,0,0]=4 1241 B9R0.46 CCC(=O)NCCCOC 1626a_100150723488_100000210414 [2,0,0,0,0,0|2,0,0]=4 1242 B9R0.46 CCC(=O)NCCCOC 240690a_100150723488_100000210414 [2,0,0,0,0,0|2,0,0]=4 1243 B9R0.46 CCC(=O)NCCCOC 527a_100150723488_100000210414 [2,0,0,0,0,0|2,0,0]=4 1244 B9R0.46 CCCCCCC(=O)CC 1458a_100000210414_100000210757 [2,0,0,0,0,0|1,0,1]=4 1245 B9R0.46 CCCCCCC(=O)CC 1458a_100102632555_100000210202 [2,0,0,0,0,0|1,0,1]=4 1246 B9R0.46 CCCCCCC(=O)NC 11a_106832991635_100102632555 [2,0,0,0,0,0|1,0,1]=4 1247 B9R0.46 CCCCCCC(=O)NC 1626a_100102657272_100102632555 [2,0,0,0,0,0|1,0,1]=4 1248 B9R0.46 CCCCCCC(=O)NC 240690a_100102657272_100102632555 [2,0,0,0,0,0|1,0,1]=4 1249 B9R0.46 CCCCCCC(=O)NC 527a_100102657272_100102632555 [2,0,0,0,0,0|1,0,1]=4 1250 B9R0.46 CCCCNCC(=O)OC 2230a_100000102301_100000747449 [2,0,0,0,0,0|1,0,1]=4 1251 B9R0.46 CCCCNCC(=O)OC 7a_106832991798_100000747449 [2,0,0,0,0,0|1,0,1]=4 1252 B9R0.46 CCCCOCC(=O)OC 34a_100000210227_100000747449 [2,0,0,0,0,0|1,0,1]=4 1253 B9R0.46 CCCCOCC(=O)OC 7a_100000210227_100000747449 [2,0,0,0,0,0|1,0,1]=4 1254 B9R0.46 CCCCSCC(=O)OC 62a_100000210211_100000747449 [2,0,0,0,0,0|1,0,1]=4 1255 B9R0.46 CCCCSCC(=O)OC 62a_100000747449_100000210210 [2,0,0,0,0,0|1,0,1]=4 1256 B9R0.46 CCCOCCC(=O)OC 34a_100000210258_100000742370 [2,0,0,0,0,0|1,0,1]=4 1257 B9R0.46 CCCSCCC(=O)OC 62a_100000204255_100000210303 [2,0,0,0,0,0|1,0,1]=4 1258 B9R0.46 CCCSCCC(=O)OC 62a_100000210303_100000204255 [2,0,0,0,0,0|1,0,1]=4 1259 B9R0.46 CCNCCCC(=O)OC 2230a_100015525214_100011218270 [2,0,0,0,0,0|1,0,1]=4 1260 B9R0.46 CCOCCCC(=O)OC 34a_100121572206_100000742333 [2,0,0,0,0,0|1,0,1]=4 1261 B9R0.46 CCSCCCC(=O)OC 62a_100000210202_100011218270 [2,0,0,0,0,0|1,0,1]=4 1262 B9R0.46 CCSCCCC(=O)OC 62a_100011218270_100000210202 [2,0,0,0,0,0|1,0,1]=4 1263 B9R0.46 CNC(=O)CCCCCO 240690a_100102657272_100102619762 [2,0,0,0,0,0|1,0,1]=4 1264 B9R0.46 CNC(=O)CCNCC=O 2230a_100000738227_200015260668 [2,0,0,0,0,0|2,0,0]=4 1265 B9R0.46 CNC(=O)CCNCC=O 34a_100000738227_200009817547 [2,0,0,0,0,0|2,0,0]=4 1266 B9R0.46 CNC(=O)CCNCOC 2230a_100000738227_100000766300 [2,0,0,0,0,0|2,0,0]=4 1267 B9R0.46 CNC(=O)CCOCC=O 34a_100000754576_200009817547 [2,0,0,0,0,0|2,0,0]=4 1268 B9R0.46 CNC(=O)CCSCC=O 62a_100000737683_200015260668 [2,0,0,0,0,0|2,0,0]=4 1269 B9R0.46 CNC(=O)CCSCC=O 62a_200015260668_100000737683 [2,0,0,0,0,0|2,0,0]=4 1270 B9R0.46 CNC(=O)CCSCOC 62a_100000737683_100000766300 [2,0,0,0,0,0|2,0,0]=4 1271 B9R0.46 CNC(=O)CCSCOC 62a_100000766300_100000737683 [2,0,0,0,0,0|2,0,0]=4 1272 B9R0.46 CNC(=O)CNCCOC 2230a_100000209980_100000183359 [2,0,0,0,0,0|2,0,0]=4 1273 B9R0.46 CNC(=O)CNCCOC 2230a_100000693194_100011201679 [2,0,0,0,0,0|2,0,0]=4 1274 B9R0.46 CNC(=O)COCCOC 11a_106832991635_100000211095 [2,0,0,0,0,0|2,0,0]=4 1275 B9R0.46 CNC(=O)COCCOC 1626a_100102657272_100000211095 [2,0,0,0,0,0|2,0,0]=4 1276 B9R0.46 CNC(=O)COCCOC 240690a_100102657272_100000211095 [2,0,0,0,0,0|2,0,0]=4 1277 B9R0.46 CNC(=O)COCCOC 34a_100000210237_100000183359 [2,0,0,0,0,0|2,0,0]=4 1278 B9R0.46 CNC(=O)COCCOC 34a_100000750040_100011201679 [2,0,0,0,0,0|2,0,0]=4 1279 B9R0.46 CNC(=O)COCCOC 527a_100102657272_100000211095 [2,0,0,0,0,0|2,0,0]=4 1280 B9R0.46 CNC(=O)CSCCOC 62a_100000183359_100000233755 [2,0,0,0,0,0|2,0,0]=4 1281 B9R0.46 CNC(=O)CSCCOC 62a_100000233755_100000183359 [2,0,0,0,0,0|2,0,0]=4 1282 B9R0.46 CNC(=O)NCCCOC 2708a_100102657272_100150723488 [2,0,0,0,0,0|2,0,0]=4 1283 B9R0.46 CNC(=O)NCCCOC 2708a_100150723488_106832991635 [2,0,0,0,0,0|2,0,0]=4 1284 B9R0.46 CNC(=O)NCCCOC 273464a_100102657272_100150723488 [2,0,0,0,0,0|2,0,0]=4 1285 B9R0.46 CNC(=O)NCCCOC 273464a_100150723488_100102657272 [2,0,0,0,0,0|2,0,0]=4 1286 B9R0.46 CNC(=O)NCCCOC 512a_106832991638_100150723488 [2,0,0,0,0,0|2,0,0]=4 1287 B9R0.46 CNCCCCC(=O)OC 2230a_106832991635_100000204269 [2,0,0,0,0,0|1,0,0]=3 1288 B9R0.46 CNCCCCC(=O)OC 34a_100102657272_100000204269 [2,0,0,0,0,0|1,0,0]=3 1289 B9R0.46 CNCCCCC(=O)OC 7a_106832991635_100000204269 [2,0,0,0,0,0|1,0,0]=3 1290 B9R0.46 CNCCOCC(=O)OC 2230a_106832991635_100000090808 [2,0,0,0,0,0|2,0,0]=4 1291 B9R0.46 CNCCOCC(=O)OC 34a_100102657272_100000090808 [2,0,0,0,0,0|2,0,0]=4 1292 B9R0.46 CNCCOCC(=O)OC 7a_106832991635_100000090808 [2,0,0,0,0,0|2,0,0]=4 1293 B9R0.46 COC(=O)CCCCO[13CH3] 34a_100000059025_200025704644 [2,0,0,0,0,0|0,0,0]=2 1294 B9R0.46 COC(=O)CCCCO[13CH3] 7a_100000059025_200025704644 [2,0,0,0,0,0|0,0,0]=2 1295 B9R0.46 COC(=O)CCCCSC 62a_100000204269_200000210301 [2,0,0,0,0,0|0,1,0]=3 1296 B9R0.46 COC(=O)CCCCSC 62a_200000210301_100000204269 [2,0,0,0,0,0|0,1,0]=3 1297 B9R0.46 COC(=O)CCCCS[13CH3] 62a_100000204269_200025704644 [2,0,0,0,0,0|0,1,0]=3 1298 B9R0.46 COC(=O)CCCCS[13CH3] 62a_200025704644_100000204269 [2,0,0,0,0,0|0,1,0]=3 1299 B9R0.46 COC(=O)CCNCCO 2230a_100016997473_100000204255 [2,0,0,0,0,0|1,0,1]=4 1300 B9R0.46 COC(=O)CCNCCO 34a_100016990907_100000742370 [2,0,0,0,0,0|1,0,1]=4 1301 B9R0.46 COC(=O)CCSCC=O 62a_100000204255_200015260668 [2,0,0,0,0,0|1,0,0]=3 1302 B9R0.46 COC(=O)CCSCC=O 62a_200015260668_100000204255 [2,0,0,0,0,0|1,0,0]=3 1303 B9R0.46 COC(=O)CCSCCO 62a_100000204255_100000211926 [2,0,0,0,0,0|1,0,1]=4 1304 B9R0.46 COC(=O)CCSCCO 62a_100000211926_100000204255 [2,0,0,0,0,0|1,0,1]=4 1305 B9R0.46 COC(=O)CCSCSC 62a_100000204255_100011218213 [2,0,0,0,0,0|1,1,0]=4 1306 B9R0.46 COC(=O)CCSCSC 62a_100011218213_100000204255 [2,0,0,0,0,0|1,1,0]=4 1307 B9R0.46 COC(=O)CNCCSC 2230a_100020590264_100000747449 [2,0,0,0,0,0|1,1,0]=4 1308 B9R0.46 COC(=O)COCCON 34a_100000700252_100000747449 [2,0,0,0,0,0|2,0,0]=4 1309 B9R0.46 COC(=O)COCCSC 34a_100000230434_100000747449 [2,0,0,0,0,0|1,1,0]=4 1310 B9R0.46 COC(=O)COCCSC 62a_100000090808_200000210301 [2,0,0,0,0,0|1,1,0]=4 1311 B9R0.46 COC(=O)COCCSC 62a_200000210301_100000090808 [2,0,0,0,0,0|1,1,0]=4 1312 B9R0.46 COC(=O)COCCSC 7a_100000230434_100000747449 [2,0,0,0,0,0|1,1,0]=4 1313 B9R0.46 COC(=O)COCCS[13CH3] 62a_100000090808_200025704644 [2,0,0,0,0,0|1,1,0]=4 1314 B9R0.46 COC(=O)COCCS[13CH3] 62a_200025704644_100000090808 [2,0,0,0,0,0|1,1,0]=4 1315 B9R0.46 COC(=O)CSCCCO 62a_100000747449_100011215043 [2,0,0,0,0,0|1,0,1]=4 1316 B9R0.46 COC(=O)CSCCCO 62a_100011215043_100000747449 [2,0,0,0,0,0|1,0,1]=4 1317 B9R0.46 COC(=O)CSCCSC 62a_100000212216_100000747449 [2,0,0,0,0,0|1,1,0]=4 1318 B9R0.46 COC(=O)CSCCSC 62a_100000747449_100000751147 [2,0,0,0,0,0|1,1,0]=4 1319 B9R0.46 COC(=O)OCSCC=O 62a_200015260668_100000139417 [2,0,0,0,0,0|2,0,0]=4 1320 B9R0.46 COCCCCC(=O)CO 1458a_100000210174_100000755781 [2,0,0,0,0,0|2,0,0]=4 1321 B9R0.46 COCCCCC(=O)OC 34a_100000059025_200000210301 [2,0,0,0,0,0|0,0,0]=2 1322 B9R0.46 COCCCCC(=O)OC 34a_100138415774_100000204269 [2,0,0,0,0,0|0,0,0]=2 1323 B9R0.46 COCCCCC(=O)OC 7a_100000059025_200000210301 [2,0,0,0,0,0|0,0,0]=2 1324 B9R0.46 COCCNCC(=O)OC 2230a_100000209980_100000747449 [2,0,0,0,0,0|1,0,0]=3 1325 B9R0.46 COCCOCC(=O)OC 34a_100000210237_100000747449 [2,0,0,0,0,0|1,0,0]=3 1326 B9R0.46 COCCOCC(=O)OC 34a_100138415774_100000090808 [2,0,0,0,0,0|1,0,0]=3 1327 B9R0.46 COCCSCC(=O)OC 62a_100000233755_100000747449 [2,0,0,0,0,0|1,0,0]=3 1328 B9R0.46 COCCSCC(=O)OC 62a_100000747449_100000233755 [2,0,0,0,0,0|1,0,0]=3 1329 B9R0.46 COCSCCC(=O)OC 62a_100000204255_100000766300 [2,0,0,0,0,0|1,0,0]=3 1330 B9R0.46 COCSCCC(=O)OC 62a_100000766300_100000204255 [2,0,0,0,0,0|1,0,0]=3 1331 B9R0.46 COCSCOC(=O)OC 62a_100000766300_100000139417 [2,0,0,0,0,0|2,0,0]=4 1332 B9R0.55 C=C(C)CCNCC(=O)O 269956a_100016091260_100000730704 [2,0,0,0,0,0|2,0,0]=4 1333 B9R0.55 C=C(C)CCOCC(=O)C 34a_100000211253_100000730704 [2,0,0,0,0,0|2,0,0]=4 1334 B9R0.55 C=C(C)COCCC(=O)C 34a_100000759926_100000748629 [2,0,0,0,0,0|2,0,0]=4 1335 B9R0.55 C=C(C)COCCC(=O)C 7a_100000759926_100000748629 [2,0,0,0,0,0|2,0,0]=4 1336 B9R0.55 C=C(C)CSCCC(=O)C 62a_100000053229_100000211660 [2,0,0,0,0,0|2,0,0]=4 1337 B9R0.55 C=C(C)CSCCC(=O)C 62a_100000748629_100000053229 [2,0,0,0,0,0|2,0,0]=4 1338 B9R0.55 CC(=O)CCCCB(O)O 1458a_100000070787_200009817182 [2,0,0,0,0,0|1,0,1]=4 1339 B9R0.55 CC(=O)CCCCC(=O)C 1458a_100000070787_100000735457 [2,0,0,0,0,0|0,0,0]=2 1340 B9R0.55 CC(=O)CCCCC(C)C 1458a_100000070787_100011216152 [2,0,0,0,0,0|1,0,1]=4 1341 B9R0.55 CC(=O)CCCCC(C)C 1458a_100011933920_200000210301 [2,0,0,0,0,0|1,0,1]=4 1342 B9R0.55 CC(=O)CCCCN(C)C 269982a_100102631434_100000735457 [2,0,0,0,0,0|2,0,0]=4 1343 B9R0.55 CC(=O)CCCNC(=O)C 1458a_100000194741_200000210301 [2,0,0,0,0,0|1,0,0]=3 1344 B9R0.55 CC(=O)CCCOC(=O)C 1458a_100000070787_100000042594 [2,0,0,0,0,0|1,0,0]=3 1345 B9R0.55 CC(=O)CCCOC(=S)C 1458a_100000070787_200135323944 [2,0,0,0,0,0|1,1,0]=4 1346 B9R0.55 CC(=O)CCCSC(=O)C 1458a_100000070787_100000038929 [2,0,0,0,0,0|1,0,0]=3 1347 B9R0.55 CC(=O)CCNCC(=O)O 269956a_100016091260_100000053229 [2,0,0,0,0,0|1,0,0]=3 1348 B9R0.55 CC(=O)CCOCC(=O)N 1458a_100000070787_100000076697 [2,0,0,0,0,0|2,0,0]=4 1349 B9R0.55 CC(=O)CCOCC(=O)N 34a_100000759926_100000187820 [2,0,0,0,0,0|2,0,0]=4 1350 B9R0.55 CC(=O)CCOCC(=O)N 7a_100000759926_100000187820 [2,0,0,0,0,0|2,0,0]=4 1351 B9R0.55 CC(=O)CCOCC(=O)[O-] 34a_100000759926_100020667443 [2,0,0,0,0,0|1,0,1]=4 1352 B9R0.55 CC(=O)CCSCC(=O)N 1458a_100000148550_200000210301 [2,0,0,0,0,0|2,0,0]=4 1353 B9R0.55 CC(=O)CCSCC(=O)N 62a_100000053229_100000747473 [2,0,0,0,0,0|2,0,0]=4 1354 B9R0.55 CC(=O)CCSCC(=O)N 62a_100000747473_100000053229 [2,0,0,0,0,0|2,0,0]=4 1355 B9R0.55 CC(=O)CCSCC(=O)[O-] 62a_100000053229_100020667443 [2,0,0,0,0,0|1,0,1]=4 1356 B9R0.55 CC(=O)CCSCC(=O)[O-] 62a_100020667443_100000053229 [2,0,0,0,0,0|1,0,1]=4 1357 B9R0.55 CC(=O)COCCC(=O)N 34a_100000211253_100000731001 [2,0,0,0,0,0|2,0,0]=4 1358 B9R0.55 CC(=O)COCOC(=O)C 34a_100000211253_100009813279 [2,0,0,0,0,0|2,0,0]=4 1359 B9R0.55 CC(=O)NCCCC(=O)N 240690a_100000739312_100015343762 [2,0,0,0,0,0|2,0,0]=4 1360 B9R0.55 CC(=O)NCCCC(=O)N 527a_100000739312_100103153847 [2,0,0,0,0,0|2,0,0]=4 1361 B9R0.55 CC(=O)NCCCC(=O)[13CH3] 1458a_100000194741_200025704644 [2,0,0,0,0,0|1,0,0]=3 1362 B9R0.55 CC(=O)NCCCS(=O)C 11a_200000753449_100015343762 [2,0,0,0,0,0|2,0,0]=4 1363 B9R0.55 CC(=O)NCCCS(=O)C 240690a_200000753449_100015343762 [2,0,0,0,0,0|2,0,0]=4 1364 B9R0.55 CC(=O)NCCCS(=O)C 527a_200000753449_100103153847 [2,0,0,0,0,0|2,0,0]=4 1365 B9R0.55 CC(=O)NCCNC(=O)C 240690a_100000209853_100015343762 [2,0,0,0,0,0|2,0,0]=4 1366 B9R0.55 CC(=O)NCCNC(=O)C 527a_100000209853_100103153847 [2,0,0,0,0,0|2,0,0]=4 1367 B9R0.55 CC(=O)NCCOC(=O)C 11a_100000724843_100015343762 [2,0,0,0,0,0|2,0,0]=4 1368 B9R0.55 CC(=O)NCCOC(=O)C 240690a_100000724843_100015343762 [2,0,0,0,0,0|2,0,0]=4 1369 B9R0.55 CC(=O)NCCOC(=O)C 527a_100000724843_100103153847 [2,0,0,0,0,0|2,0,0]=4 1370 B9R0.55 CC(=O)NCCSC(=O)C 11a_100020647217_100015343762 [2,0,0,0,0,0|2,0,0]=4 1371 B9R0.55 CC(=O)NCCSC(=O)C 240690a_100020647217_100015343762 [2,0,0,0,0,0|2,0,0]=4 1372 B9R0.55 CC(=O)NCCSC(=O)C 527a_100020647217_100103153847 [2,0,0,0,0,0|2,0,0]=4 1373 B9R0.55 CC(=O)OCNCC(=O)O 269956a_100016091260_100000076356 [2,0,0,0,0,0|2,0,0]=4 1374 B9R0.55 CC(C)CCCCC(=O)[13CH3] 1458a_100011933920_200025704644 [2,0,0,0,0,0|1,0,1]=4 1375 B9R0.55 NC(=O)CCNCC(=O)O 269956a_100016091260_100000744528 [2,0,0,0,0,0|2,0,0]=4 1376 B9R0.55 [13CH3]C(=O)CCSCC(=O)N 1458a_100000148550_200025704644 [2,0,0,0,0,0|2,0,0]=4 1377 B9R0.45 COCCCCCCOC 34a_100138415774_100011998445 [2,0,0,0,0,0|0,0,2]=4 1378 B9R0.45 COCCCCCCOC 34a_200012092642_200000210301 [2,0,0,0,0,0|0,0,2]=4 1379 B9R0.45 COCCCCCCOC 7a_200012092642_200000210301 [2,0,0,0,0,0|0,0,2]=4 1380 B9R0.45 COCCCCCCO[13CH3] 34a_200012092642_200025704644 [2,0,0,0,0,0|0,0,2]=4 1381 B9R0.45 COCCCCCCO[13CH3] 7a_200012092642_200025704644 [2,0,0,0,0,0|0,0,2]=4 1382 B11R0.29 C=C(C)C(=O)CCCCC(=O)C 1458a_100000185857_100000735457 [1,1,0,0,0,0|1,0,0]=3 1383 B11R0.29 C=C(C)C(=O)CCCOC(=O)C 1458a_100000185857_100000042594 [1,1,0,0,0,0|2,0,0]=4 1384 B11R0.29 C=C(C)C(=O)CCCSC(=O)C 1458a_100000185857_100000038929 [1,1,0,0,0,0|2,0,0]=4 1385 B11R0.29 CC(=O)CCCCC(=O)C(C)C 1458a_100000210198_100000735457 [1,1,0,0,0,0|1,0,0]=3 1386 B11R0.29 CC(=O)CCCCC(=O)C(C)F 1458a_100000062450_100000735457 [1,1,0,0,0,0|1,0,0]=3 1387 B11R0.29 CC(=O)CCCCC(=O)C(O)O 1458a_100000233687_100000735457 [1,1,0,0,0,0|2,0,0]=4 1388 B11R0.29 CC(=O)CCCCC(=O)N(C)C 1458a_100000070787_100000752486 [1,1,0,0,0,0|1,0,0]=3 1389 B11R0.29 CC(=O)CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000735457 [1,1,0,0,0,0|1,0,0]=3 1390 B11R0.29 CC(=O)CCCCC(=O)[C@H](C)O 1458a_217856618621_100000735457 [1,1,0,0,0,0|1,0,0]=3 1391 B11R0.29 CC(=O)CCOCC(=O)C(=O)C 34a_100000759926_100011261029 [1,1,0,0,0,0|2,0,0]=4 1392 B11R0.29 CC(=O)CCOCC(=O)C(C)C 34a_100000759926_100000753385 [1,1,0,0,0,0|2,0,0]=4 1393 B11R0.29 CC(=O)CCOCC(=O)C(C)C 7a_100000759926_100000753385 [1,1,0,0,0,0|2,0,0]=4 1394 B11R0.29 CC(=O)CCOCC(=O)N(C)C 34a_100000759926_100000692301 [1,1,0,0,0,0|2,0,0]=4 1395 B11R0.29 CC(=O)CCOCC(=O)N(C)C 7a_100000759926_100000692301 [1,1,0,0,0,0|2,0,0]=4 1396 B11R0.29 CC(=O)CCSCC(=O)C(=O)C 62a_100000053229_100011261029 [1,1,0,0,0,0|2,0,0]=4 1397 B11R0.29 CC(=O)CCSCC(=O)C(=O)C 62a_100011261029_100000053229 [1,1,0,0,0,0|2,0,0]=4 1398 B11R0.29 CC(=O)CCSCC(=O)C(C)C 62a_100000053229_100000753385 [1,1,0,0,0,0|2,0,0]=4 1399 B11R0.29 CC(=O)CCSCC(=O)C(C)C 62a_100000753385_100000053229 [1,1,0,0,0,0|2,0,0]=4 1400 B11R0.29 CC(=O)CCSCC(=O)N(C)C 62a_100000053229_100000692301 [1,1,0,0,0,0|2,0,0]=4 1401 B11R0.29 CC(=O)CCSCC(=O)N(C)C 62a_100000692301_100000053229 [1,1,0,0,0,0|2,0,0]=4 1402 B11R0.29 CC(=O)NCCCC(=O)C(C)C 1458a_100000194741_100000210206 [1,1,0,0,0,0|2,0,0]=4 1403 B11R0.29 CC(=O)NCCCC(=O)N(C)C 11a_100102631434_100000194741 [1,1,0,0,0,0|2,0,0]=4 1404 B11R0.29 CC(=O)NCCCC(=O)N(C)C 11a_200000744827_100015343762 [1,1,0,0,0,0|2,0,0]=4 1405 B11R0.29 CC(=O)NCCCC(=O)N(C)C 1626a_100102631434_100000194741 [1,1,0,0,0,0|2,0,0]=4 1406 B11R0.29 CC(=O)NCCCC(=O)N(C)C 240690a_100102631434_100000194741 [1,1,0,0,0,0|2,0,0]=4 1407 B11R0.29 CC(=O)NCCCC(=O)N(C)C 240690a_200000744827_100015343762 [1,1,0,0,0,0|2,0,0]=4 1408 B11R0.29 CC(=O)NCCCC(=O)N(C)C 527a_100102631434_100000194741 [1,1,0,0,0,0|2,0,0]=4 1409 B11R0.29 CC(=O)NCCCC(=O)N(C)C 527a_200000744827_100103153847 [1,1,0,0,0,0|2,0,0]=4 1410 B11R0.29 CC(=O)OCCCC(=O)C(C)C 1458a_100000210198_100000042594 [1,1,0,0,0,0|2,0,0]=4 1411 B11R0.29 CC(=O)OCCCC(=O)C(C)F 1458a_100000062450_100000042594 [1,1,0,0,0,0|2,0,0]=4 1412 B11R0.29 CC(=O)OCCCC(=O)[C@@H](C)O 1458a_100000717761_100000042594 [1,1,0,0,0,0|2,0,0]=4 1413 B11R0.29 CC(=O)OCCCC(=O)[C@H](C)O 1458a_217856618621_100000042594 [1,1,0,0,0,0|2,0,0]=4 1414 B11R0.29 CC(=O)SCCCC(=O)C(C)C 1458a_100000210198_100000038929 [1,1,0,0,0,0|2,0,0]=4 1415 B11R0.29 CC(=O)SCCCC(=O)C(C)F 1458a_100000062450_100000038929 [1,1,0,0,0,0|2,0,0]=4 1416 B11R0.29 CC(=O)SCCCC(=O)[C@@H](C)O 1458a_100000717761_100000038929 [1,1,0,0,0,0|2,0,0]=4 1417 B11R0.29 CC(=O)SCCCC(=O)[C@H](C)O 1458a_217856618621_100000038929 [1,1,0,0,0,0|2,0,0]=4 1418 B11R0.29 CN(C)C(=O)CCNCC(=O)O 269956a_100016091260_100000737620 [1,1,0,0,0,0|2,0,0]=4 1419 B11R0.93 C=C(C)CCC(=O)CC(=O)OC 1458a_100000211351_100000730704 [1,1,0,0,0,0|1,0,1]=4 1420 B11R0.93 C=C(C)CCC(=O)CC(=O)OC 1458a_200000688413_100000747449 [1,1,0,0,0,0|1,0,1]=4 1421 B11R0.93 C=C(C)CCN(C)CC(=O)OC 2230a_100000198492_100000730704 [1,1,0,0,0,0|2,0,0]=4 1422 B11R0.93 C=C(C)COC(C)CC(=O)OC 34a_100000210245_100009817358 [1,1,0,0,0,0|2,0,0]=4 1423 B11R0.93 C=C(C)CSC(C)CC(=O)OC 62a_100000748629_100009817358 [1,1,0,0,0,0|2,0,0]=4 1424 B11R0.93 C=C(C)CSC(C)CC(=O)OC 62a_100009817358_100000211660 [1,1,0,0,0,0|2,0,0]=4 1425 B11R0.93 CCC(=O)CC(C)CSC(=O)C 1458a_100000210414_200000116872 [1,1,0,0,0,0|2,0,0]=4 1426 B11R0.93 COC(=O)CC(=O)CCC(=O)N 1458a_100011215257_100000747449 [1,1,0,0,0,0|1,0,1]=4 1427 B11R0.93 COC(=O)CC(=O)CNC(=O)C 1458a_100000194580_100000747449 [1,1,0,0,0,0|1,0,1]=4 1428 B11R0.93 COC(=O)CC(=O)COC(=O)C 1458a_100000183556_100000747449 [1,1,0,0,0,0|1,0,1]=4 1429 B11R0.93 COC(=O)CC(=O)CSC(=O)C 1458a_100000049016_100000747449 [1,1,0,0,0,0|1,0,1]=4 1430 B11R0.93 COC(=O)CC(C)NCC(=O)N 2230a_100000711301_100009817358 [1,1,0,0,0,0|2,0,0]=4 1431 B11R0.93 COC(=O)CC(C)NCC(=O)O 269956a_100016091260_100009817358 [1,1,0,0,0,0|1,0,0]=3 1432 B11R0.93 COC(=O)CC(C)OCC(=O)C 34a_100000211253_100009817358 [1,1,0,0,0,0|1,0,0]=3 1433 B11R0.93 COC(=O)CC(C)SCC(=O)N 62a_100000747473_100009817358 [1,1,0,0,0,0|2,0,0]=4 1434 B11R0.93 COC(=O)CC(C)SCC(=O)N 62a_100009817358_100000747473 [1,1,0,0,0,0|2,0,0]=4 1435 B11R0.93 COC(=O)CC(C)SCC(=O)[O-] 62a_100009817358_100020667443 [1,1,0,0,0,0|1,0,1]=4 1436 B11R0.93 COC(=O)CC(C)SCC(=O)[O-] 62a_100020667443_100009817358 [1,1,0,0,0,0|1,0,1]=4 1437 B11R0.93 COC(=O)CC(O)CNC(=O)C 188690a_100025770978_100015343762 [1,1,0,0,0,0|1,0,0]=3 1438 B11R0.93 COC(=O)CN(C)CCC(=O)N 2230a_100000198492_100000744528 [1,1,0,0,0,0|2,0,0]=4 1439 B11R0.93 COC(=O)CN(C)CCC(=O)N 2230a_100000730477_100000747449 [1,1,0,0,0,0|2,0,0]=4 1440 B11R0.107 C=C(C)CC(=O)CCC(=O)OC 1458a_100000187943_100000748629 [1,1,0,0,0,0|1,0,1]=4 1441 B11R0.107 C=C(C)CN(C)CCC(=O)OC 2230a_100000225649_100000204255 [1,1,0,0,0,0|2,0,0]=4 1442 B11R0.107 C=C(C)CN(C)CCC(=O)OC 269982a_100000225649_100000204255 [1,1,0,0,0,0|2,0,0]=4 1443 B11R0.107 C=C(C)CN(C)CCC(=O)OC 269982a_100025711912_100000748629 [1,1,0,0,0,0|2,0,0]=4 1444 B11R0.107 CNC(=O)CCN(C)CC(=O)O 269956a_100000746989_100000737683 [1,1,0,0,0,0|2,0,0]=4 1445 B11R0.107 COC(=O)CCC(=O)CC(=O)C 1458a_100000070787_100000691467 [1,1,0,0,0,0|0,0,1]=3 1446 B11R0.107 COC(=O)CCC(=O)CC(=O)N 1458a_100000187943_100000187820 [1,1,0,0,0,0|1,0,1]=4 1447 B11R0.107 COC(=O)CCC(=O)CC(=O)[O-] 1458a_100000187943_100020667443 [1,1,0,0,0,0|0,0,2]=4 1448 B11R0.107 COC(=O)CCN(C)CC(=O)N 2230a_100000739694_100000204255 [1,1,0,0,0,0|2,0,0]=4 1449 B11R0.107 COC(=O)CCN(C)CC(=O)N 269982a_100025711912_100000187820 [1,1,0,0,0,0|2,0,0]=4 1450 B11R0.107 COC(=O)CCN(C)CC(=O)O 269956a_100000746989_100000204255 [1,1,0,0,0,0|1,0,0]=3 1451 B11R0.107 COC(=O)CCN(C)CC(=O)[O-] 269982a_100025711912_100020667443 [1,1,0,0,0,0|1,0,1]=4 1452 B11R0.107 COC(=O)CNC(=O)CC(=O)C 1458a_100000070787_100000182966 [1,1,0,0,0,0|1,0,1]=4 1453 B11R0.107 COC(=O)CSC(C)OC(=O)C 62a_100000747449_100009818208 [1,1,0,0,0,0|2,0,0]=4 1454 B11R0.107 COC(=O)CSC(C)OC(=O)C 62a_100009818208_100000747449 [1,1,0,0,0,0|2,0,0]=4 1455 B11R0.109 C=C(C)C(=O)CCCC(=O)OC 1458a_100000185857_100011218270 [1,1,0,0,0,0|1,0,1]=4 1456 B11R0.109 CCC(=O)CNCC(C)C(=O)O 269956a_100000749485_100000747405 [1,1,0,0,0,0|2,0,0]=4 1457 B11R0.109 CCC(=O)CNCC(F)C(=O)O 269956a_100000084737_100000747405 [1,1,0,0,0,0|2,0,0]=4 1458 B11R0.109 CCC(=O)COCC(C)C(=O)C 7a_100000032740_100000747405 [1,1,0,0,0,0|2,0,0]=4 1459 B11R0.109 CNC(=O)CCNC(C)C(=O)C 2230a_100000738227_100009814033 [1,1,0,0,0,0|2,0,0]=4 1460 B11R0.109 CNC(=O)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000737683 [1,1,0,0,0,0|2,0,0]=4 1461 B11R0.109 CNC(=O)CCOC(C)C(=O)C 34a_100000212229_100012179268 [1,1,0,0,0,0|2,0,0]=4 1462 B11R0.109 CNC(=O)CCSC(C)C(=O)C 62a_100000737683_100009814033 [1,1,0,0,0,0|2,0,0]=4 1463 B11R0.109 CNC(=O)CCSC(C)C(=O)C 62a_100009814033_100000737683 [1,1,0,0,0,0|2,0,0]=4 1464 B11R0.109 CNC(=O)CNCC(C)C(=O)O 269956a_100000749485_100000183359 [1,1,0,0,0,0|2,0,0]=4 1465 B11R0.109 CNC(=O)CNCC(F)C(=O)O 269956a_100000084737_100000183359 [1,1,0,0,0,0|2,0,0]=4 1466 B11R0.109 CNC(=O)COCC(C)C(=O)C 34a_100000032740_100000183359 [1,1,0,0,0,0|2,0,0]=4 1467 B11R0.109 CNC(=O)COCC(C)C(=O)C 7a_100000032740_100000183359 [1,1,0,0,0,0|2,0,0]=4 1468 B11R0.109 COC(=O)CCCN(C)C(=O)C 240690a_100000739225_100015343762 [1,1,0,0,0,0|1,0,0]=3 1469 B11R0.109 COC(=O)CCCN(C)C(=O)C 527a_100000739225_100103153847 [1,1,0,0,0,0|1,0,0]=3 1470 B11R0.109 COC(=O)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000204255 [1,1,0,0,0,0|1,0,0]=3 1471 B11R0.109 COC(=O)CCN[C@H](C)C(=O)N 2230a_100000119354_100000204255 [1,1,0,0,0,0|2,0,0]=4 1472 B11R0.109 COC(=O)CCN[C@H](C)C(=O)N 34a_100000119354_100000742370 [1,1,0,0,0,0|2,0,0]=4 1473 B11R0.109 COC(=O)CCOC(C)C(=O)C 34a_100000212229_100000742370 [1,1,0,0,0,0|1,0,0]=3 1474 B11R0.109 COC(=O)CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000204255 [1,1,0,0,0,0|1,0,1]=4 1475 B11R0.109 COC(=O)CCO[C@H](C)C(=O)N 34a_100000731257_100000742370 [1,1,0,0,0,0|2,0,0]=4 1476 B11R0.109 COC(=O)CCO[C@H](C)C(=O)N 7a_100000731257_100000204255 [1,1,0,0,0,0|2,0,0]=4 1477 B11R0.109 COC(=O)CCSC(C)C(=O)C 62a_100000204255_100009814033 [1,1,0,0,0,0|1,0,0]=3 1478 B11R0.109 COC(=O)CCSC(C)C(=O)C 62a_100009814033_100000204255 [1,1,0,0,0,0|1,0,0]=3 1479 B11R0.109 COC(=O)CCSC(C)C(=O)N 62a_100000204255_100000702099 [1,1,0,0,0,0|2,0,0]=4 1480 B11R0.109 COC(=O)CCSC(C)C(=O)N 62a_100000702099_100000204255 [1,1,0,0,0,0|2,0,0]=4 1481 B11R0.109 COC(=O)CCSC(F)C(=O)N 62a_100000204255_100009813875 [1,1,0,0,0,0|2,0,0]=4 1482 B11R0.109 COC(=O)CCSC(F)C(=O)N 62a_100009813875_100000204255 [1,1,0,0,0,0|2,0,0]=4 1483 B11R0.109 COC(=O)CCSC(F)C(=O)[O-] 62a_100000204255_100020610796 [1,1,0,0,0,0|1,0,1]=4 1484 B11R0.109 COC(=O)CCSC(F)C(=O)[O-] 62a_100020610796_100000204255 [1,1,0,0,0,0|1,0,1]=4 1485 B11R0.109 COC(=O)CNCC(C)C(=O)O 269956a_100000749485_100000747449 [1,1,0,0,0,0|1,0,0]=3 1486 B11R0.109 COC(=O)CNCC(F)C(=O)O 269956a_100000084737_100000747449 [1,1,0,0,0,0|1,0,0]=3 1487 B11R0.109 COC(=O)COCC(C)C(=O)C 34a_100000032740_100000747449 [1,1,0,0,0,0|1,0,0]=3 1488 B11R0.109 COC(=O)COCC(C)C(=O)C 7a_100000032740_100000747449 [1,1,0,0,0,0|1,0,0]=3 1489 B11R0.109 COC(=O)COC[C@H](N)C(=O)N 34a_100000729942_100000747449 [1,1,0,0,0,0|2,0,0]=4 1490 B11R0.109 COC(=O)CSCC(=O)C(=O)C 62a_100000747449_100011261029 [1,1,0,0,0,0|1,0,1]=4 1491 B11R0.109 COC(=O)CSCC(=O)C(=O)C 62a_100011261029_100000747449 [1,1,0,0,0,0|1,0,1]=4 1492 B11R0.109 COC(=O)OCSC(C)C(=O)C 62a_100009814033_100000139417 [1,1,0,0,0,0|2,0,0]=4 1493 B11R0.114 COC(=O)CNCCS(=O)(=O)C 2230a_100000740961_100000747449 [1,1,0,0,0,0|2,0,0]=4 1494 B11R0.114 COC(=O)CNCCS(=O)(=O)C 34a_100000740961_100000747449 [1,1,0,0,0,0|2,0,0]=4 1495 B11R0.114 COC(=O)COCCS(=O)(=O)C 34a_100000211924_100000747449 [1,1,0,0,0,0|2,0,0]=4 1496 B11R0.114 COC(=O)COCCS(=O)(=O)C 7a_100000211924_100000747449 [1,1,0,0,0,0|2,0,0]=4 1497 B11R0.114 COC(=O)CSCCS(=O)(=O)C 62a_100000731031_100000747449 [1,1,0,0,0,0|2,0,0]=4 1498 B11R0.114 COC(=O)CSCCS(=O)(=O)C 62a_100000747449_100000230027 [1,1,0,0,0,0|2,0,0]=4 1499 B11R0.145 C=C(C)CCOC(C)C(=O)OC 34a_100000764851_100000211248 [1,1,0,0,0,0|2,0,0]=4 1500 B11R0.145 C=C(C)CCOC(C)C(=O)OC 34a_100011215400_100000730704 [1,1,0,0,0,0|2,0,0]=4 1501 B11R0.145 C=C(C)CCSC(C)C(=O)OC 62a_100000211248_100000730704 [1,1,0,0,0,0|2,0,0]=4 1502 B11R0.145 C=C(C)CCSC(C)C(=O)OC 62a_100000730704_100000211248 [1,1,0,0,0,0|2,0,0]=4 1503 B11R0.145 C=C(C)COCC(C)C(=O)OC 34a_100000210245_100000698445 [1,1,0,0,0,0|2,0,0]=4 1504 B11R0.145 C=C(C)COCC(C)C(=O)OC 34a_100000749362_100000748629 [1,1,0,0,0,0|2,0,0]=4 1505 B11R0.145 C=C(C)COCC(C)C(=O)OC 7a_100000749362_100000748629 [1,1,0,0,0,0|2,0,0]=4 1506 B11R0.145 C=C(C)COCC(F)C(=O)OC 34a_200009849844_100000748629 [1,1,0,0,0,0|2,0,0]=4 1507 B11R0.145 C=C(C)COC[C@@H](N)C(=O)OC 34a_100000003586_100000748629 [1,1,0,0,0,0|2,0,0]=4 1508 B11R0.145 C=C(C)CSCC(C)C(=O)OC 62a_100000698445_100000211660 [1,1,0,0,0,0|2,0,0]=4 1509 B11R0.145 C=C(C)CSCC(C)C(=O)OC 62a_100000748629_100000698445 [1,1,0,0,0,0|2,0,0]=4 1510 B11R0.145 C=C(COCC(=O)C)C(=O)OC 34a_100000211253_100009813391 [1,1,0,0,0,0|1,0,1]=4 1511 B11R0.145 CCC(=O)C(C)OCCC(=O)C 7a_100000759926_100000742827 [1,1,0,0,0,0|2,0,0]=4 1512 B11R0.145 CCC(=O)C(C)SCCC(=O)C 62a_100000053229_100000742827 [1,1,0,0,0,0|2,0,0]=4 1513 B11R0.145 CCC(=O)C(C)SCCC(=O)C 62a_100000742827_100000053229 [1,1,0,0,0,0|2,0,0]=4 1514 B11R0.145 CNC(=O)C(=O)CCCC(=O)C 1458a_100011218921_100011215641 [1,1,0,0,0,0|1,0,1]=4 1515 B11R0.145 CNC(=O)C(C)OCCC(=O)C 34a_100000759926_100000731044 [1,1,0,0,0,0|2,0,0]=4 1516 B11R0.145 CNC(=O)C(C)OCCC(=O)C 7a_100000759926_100000209862 [1,1,0,0,0,0|2,0,0]=4 1517 B11R0.145 CNC(=O)C(C)SCCC(=O)C 62a_100000053229_100000731044 [1,1,0,0,0,0|2,0,0]=4 1518 B11R0.145 CNC(=O)C(C)SCCC(=O)C 62a_100000209862_100000053229 [1,1,0,0,0,0|2,0,0]=4 1519 B11R0.145 CNC(=O)C(F)OCCC(=O)C 34a_100000759926_100009813575 [1,1,0,0,0,0|2,0,0]=4 1520 B11R0.145 CNC(=O)C(F)OCCC(=O)C 7a_100000759926_100009813575 [1,1,0,0,0,0|2,0,0]=4 1521 B11R0.145 CNC(=O)C(F)SCCC(=O)C 62a_100000053229_100009813575 [1,1,0,0,0,0|2,0,0]=4 1522 B11R0.145 CNC(=O)C(F)SCCC(=O)C 62a_100009813575_100000053229 [1,1,0,0,0,0|2,0,0]=4 1523 B11R0.145 COC(=O)C(=O)COCC(=O)C 34a_100000211253_100011610305 [1,1,0,0,0,0|1,0,1]=4 1524 B11R0.145 COC(=O)C(C)COCC(=O)C 34a_100000211253_100000698445 [1,1,0,0,0,0|1,0,0]=3 1525 B11R0.145 COC(=O)C(C)COCC(=O)N 34a_100000749362_100000187820 [1,1,0,0,0,0|2,0,0]=4 1526 B11R0.145 COC(=O)C(C)COCC(=O)N 7a_100000749362_100000187820 [1,1,0,0,0,0|2,0,0]=4 1527 B11R0.145 COC(=O)C(C)COCC(=O)[O-] 34a_100000749362_100020667443 [1,1,0,0,0,0|1,0,1]=4 1528 B11R0.145 COC(=O)C(C)CSCC(=O)N 62a_100000698445_100000747473 [1,1,0,0,0,0|2,0,0]=4 1529 B11R0.145 COC(=O)C(C)CSCC(=O)N 62a_100000747473_100000698445 [1,1,0,0,0,0|2,0,0]=4 1530 B11R0.145 COC(=O)C(C)CSCC(=O)[O-] 62a_100000698445_100020667443 [1,1,0,0,0,0|1,0,1]=4 1531 B11R0.145 COC(=O)C(C)CSCC(=O)[O-] 62a_100020667443_100000698445 [1,1,0,0,0,0|1,0,1]=4 1532 B11R0.145 COC(=O)C(C)OCCC(=O)C 34a_100000759926_100000211248 [1,1,0,0,0,0|1,0,0]=3 1533 B11R0.145 COC(=O)C(C)OCCC(=O)C 7a_100000759926_100000211248 [1,1,0,0,0,0|1,0,0]=3 1534 B11R0.145 COC(=O)C(C)OCCC(=O)N 34a_100000757172_100000211248 [1,1,0,0,0,0|2,0,0]=4 1535 B11R0.145 COC(=O)C(C)OCCC(=O)N 34a_100011215400_100000731001 [1,1,0,0,0,0|2,0,0]=4 1536 B11R0.145 COC(=O)C(C)OCCC(=O)N 7a_100000757172_100000211248 [1,1,0,0,0,0|2,0,0]=4 1537 B11R0.145 COC(=O)C(C)OCOC(=O)C 34a_100011215400_100009813279 [1,1,0,0,0,0|2,0,0]=4 1538 B11R0.145 COC(=O)C(C)SCCC(=O)C 62a_100000053229_100000211248 [1,1,0,0,0,0|1,0,0]=3 1539 B11R0.145 COC(=O)C(C)SCCC(=O)C 62a_100000211248_100000053229 [1,1,0,0,0,0|1,0,0]=3 1540 B11R0.145 COC(=O)C(C)SCCC(=O)N 62a_100000211248_100000744528 [1,1,0,0,0,0|2,0,0]=4 1541 B11R0.145 COC(=O)C(C)SCCC(=O)N 62a_100000744528_100000211248 [1,1,0,0,0,0|2,0,0]=4 1542 B11R0.145 COC(=O)C(C)SCOC(=O)C 62a_100000076356_100000211248 [1,1,0,0,0,0|2,0,0]=4 1543 B11R0.145 COC(=O)C(C)SCOC(=O)C 62a_100000211248_100000076356 [1,1,0,0,0,0|2,0,0]=4 1544 B11R0.145 COC(=O)C(F)COCC(=O)N 34a_200009849844_100000187820 [1,1,0,0,0,0|2,0,0]=4 1545 B11R0.145 COC(=O)C(F)COCC(=O)[O-] 34a_200009849844_100020667443 [1,1,0,0,0,0|1,0,1]=4 1546 B11R0.145 COC(=O)N(C)CCCC(=O)C 1458a_100000752137_200000210301 [1,1,0,0,0,0|1,0,0]=3 1547 B11R0.145 COC(=O)N(C)CCCC(=O)[13CH3] 1458a_100000752137_200025704644 [1,1,0,0,0,0|1,0,0]=3 1548 B11R0.145 COC(=O)[C@H](N)COCC(=O)N 34a_100000003586_100000187820 [1,1,0,0,0,0|2,0,0]=4 1549 B11R0.145 COC(=O)[C@H](N)COCC(=O)[O-] 34a_100000003586_100020667443 [1,1,0,0,0,0|1,0,1]=4 1550 B11R0.176 C#CCC(=O)CCCCC(=O)C 1458a_100011220946_100000735457 [1,1,0,0,0,0|1,0,1]=4 1551 B11R0.176 C=C(C)CCOCC(=O)OCC 34a_100000764851_100000188475 [1,1,0,0,0,0|2,0,0]=4 1552 B11R0.176 C=C(C)CCSCC(=O)OCC 62a_100000188475_100000730704 [1,1,0,0,0,0|2,0,0]=4 1553 B11R0.176 C=C(C)CCSCC(=O)OCC 62a_100000730704_100000188475 [1,1,0,0,0,0|2,0,0]=4 1554 B11R0.176 C=C(C)COCCC(=O)OCC 34a_100000210245_100000765890 [1,1,0,0,0,0|2,0,0]=4 1555 B11R0.176 C=C(C)CSCCC(=O)OCC 62a_100000748629_100000765890 [1,1,0,0,0,0|2,0,0]=4 1556 B11R0.176 C=C(C)CSCCC(=O)OCC 62a_100000765890_100000211660 [1,1,0,0,0,0|2,0,0]=4 1557 B11R0.176 C=CCC(=O)CCCCC(=O)C 1458a_100000210193_100000735457 [1,1,0,0,0,0|1,0,1]=4 1558 B11R0.176 C=COC(=O)COCCC(=O)C 34a_100000759926_100000036128 [1,1,0,0,0,0|1,0,1]=4 1559 B11R0.176 C=COC(=O)CSCCC(=O)C 62a_100000036128_100000053229 [1,1,0,0,0,0|1,0,1]=4 1560 B11R0.176 C=COC(=O)CSCCC(=O)C 62a_100000053229_100000036128 [1,1,0,0,0,0|1,0,1]=4 1561 B11R0.176 CC#CC(=O)CCCCC(=O)C 1458a_100000763181_100000735457 [1,1,0,0,0,0|1,0,0]=3 1562 B11R0.176 CC#CC(=O)CCCOC(=O)C 1458a_100000763181_100000042594 [1,1,0,0,0,0|2,0,0]=4 1563 B11R0.176 CC#CC(=O)CCCSC(=O)C 1458a_100000763181_100000038929 [1,1,0,0,0,0|2,0,0]=4 1564 B11R0.176 CC(=O)CCCCC(=O)C=CBr 1458a_100016273825_100000735457 [1,1,0,0,0,0|1,0,1]=4 1565 B11R0.176 CC(=O)CCCCC(=O)C=CCl 1458a_200016279998_100000735457 [1,1,0,0,0,0|1,0,1]=4 1566 B11R0.176 CC(=O)CCCCC(=O)C=CI 1458a_100016256311_100000735457 [1,1,0,0,0,0|1,0,1]=4 1567 B11R0.176 CC(=O)CCCCC(=O)CC#N 1458a_100051588842_100000735457 [1,1,0,0,0,0|1,0,1]=4 1568 B11R0.176 CC(=O)CCCCC(=O)CCO 1458a_100011216618_100000735457 [1,1,0,0,0,0|1,0,0]=3 1569 B11R0.176 CC(=O)CCOCC(=O)NCO 34a_100000759926_100000185155 [1,1,0,0,0,0|2,0,0]=4 1570 B11R0.176 CC(=O)CCOCC(=O)NCO 7a_100000759926_100000185155 [1,1,0,0,0,0|2,0,0]=4 1571 B11R0.176 CC(=O)CCSCC(=O)NCO 62a_100000053229_100000185155 [1,1,0,0,0,0|2,0,0]=4 1572 B11R0.176 CC(=O)CCSCC(=O)NCO 62a_100000185155_100000053229 [1,1,0,0,0,0|2,0,0]=4 1573 B11R0.176 CC(=O)NCCCC(=O)CCF 1458a_100000194741_100011217306 [1,1,0,0,0,0|2,0,0]=4 1574 B11R0.176 CC(=O)NCCCC(=O)CCO 1458a_100000194741_100000211926 [1,1,0,0,0,0|2,0,0]=4 1575 B11R0.176 CC(=O)OCCCC(=O)CCO 1458a_100011216618_100000042594 [1,1,0,0,0,0|2,0,0]=4 1576 B11R0.176 CC(=O)SCCCC(=O)CCO 1458a_100011216618_100000038929 [1,1,0,0,0,0|2,0,0]=4 1577 B11R0.176 CC=CC(=O)CCCCC(=O)C 1458a_100000210699_100000735457 [1,1,0,0,0,0|1,0,0]=3 1578 B11R0.176 CC=CC(=O)CCCOC(=O)C 1458a_100000210699_100000042594 [1,1,0,0,0,0|2,0,0]=4 1579 B11R0.176 CC=CC(=O)CCCSC(=O)C 1458a_100000210699_100000038929 [1,1,0,0,0,0|2,0,0]=4 1580 B11R0.176 CCCC(=O)CCCCC(=O)C 1458a_100000211992_100000735457 [1,1,0,0,0,0|1,0,0]=3 1581 B11R0.176 CCCC(=O)CCCNC(=O)C 1458a_100000194741_100000210303 [1,1,0,0,0,0|2,0,0]=4 1582 B11R0.176 CCCC(=O)CCCOC(=O)C 1458a_100000211992_100000042594 [1,1,0,0,0,0|2,0,0]=4 1583 B11R0.176 CCCC(=O)CCCSC(=O)C 1458a_100000211992_100000038929 [1,1,0,0,0,0|2,0,0]=4 1584 B11R0.176 CCCC(=O)COCCC(=O)C 7a_100000759926_100000747444 [1,1,0,0,0,0|2,0,0]=4 1585 B11R0.176 CCCC(=O)CSCCC(=O)C 62a_100000053229_100000747444 [1,1,0,0,0,0|2,0,0]=4 1586 B11R0.176 CCCC(=O)CSCCC(=O)C 62a_100000747444_100000053229 [1,1,0,0,0,0|2,0,0]=4 1587 B11R0.176 CCNC(=O)CCCNC(=O)C 11a_100015525214_100000194741 [1,1,0,0,0,0|2,0,0]=4 1588 B11R0.176 CCNC(=O)CCCNC(=O)C 240690a_100015525214_100000194741 [1,1,0,0,0,0|2,0,0]=4 1589 B11R0.176 CCNC(=O)CCCNC(=O)C 527a_100015525214_100000194741 [1,1,0,0,0,0|2,0,0]=4 1590 B11R0.176 CCNC(=O)CCNCC(=O)O 269956a_100016091260_100000737597 [1,1,0,0,0,0|2,0,0]=4 1591 B11R0.176 CCNC(=O)COCCC(=O)C 34a_100000759926_100000183381 [1,1,0,0,0,0|2,0,0]=4 1592 B11R0.176 CCNC(=O)COCCC(=O)C 7a_100000759926_100000183381 [1,1,0,0,0,0|2,0,0]=4 1593 B11R0.176 CCNC(=O)CSCCC(=O)C 62a_100000053229_100000183381 [1,1,0,0,0,0|2,0,0]=4 1594 B11R0.176 CCNC(=O)CSCCC(=O)C 62a_100000183381_100000053229 [1,1,0,0,0,0|2,0,0]=4 1595 B11R0.176 CCOC(=O)CCCCC(=O)C 1458a_100000070787_100000750268 [1,1,0,0,0,0|0,0,0]=2 1596 B11R0.176 CCOC(=O)CCCCC(=O)C 1458a_100011217402_200000210301 [1,1,0,0,0,0|0,0,0]=2 1597 B11R0.176 CCOC(=O)CCCCC(=O)[13CH3] 1458a_100011217402_200025704644 [1,1,0,0,0,0|0,0,0]=2 1598 B11R0.176 CCOC(=O)CCCCN(C)C 2230a_100102631434_100000750268 [1,1,0,0,0,0|2,0,0]=4 1599 B11R0.176 CCOC(=O)CCCCN(C)C 269982a_100102631434_100000750268 [1,1,0,0,0,0|2,0,0]=4 1600 B11R0.176 CCOC(=O)CCCNC(=O)C 188690a_100000211256_100015343762 [1,1,0,0,0,0|1,0,0]=3 1601 B11R0.176 CCOC(=O)CCNCC(=O)N 2230a_100000711301_100011206558 [1,1,0,0,0,0|2,0,0]=4 1602 B11R0.176 CCOC(=O)CCNCC(=O)O 269956a_100016091260_100000765890 [1,1,0,0,0,0|1,0,0]=3 1603 B11R0.176 CCOC(=O)CCOCC(=O)C 34a_100000211253_100000765890 [1,1,0,0,0,0|1,0,0]=3 1604 B11R0.176 CCOC(=O)CCSCC(=O)N 62a_100000747473_100000765890 [1,1,0,0,0,0|2,0,0]=4 1605 B11R0.176 CCOC(=O)CCSCC(=O)N 62a_100000765890_100000747473 [1,1,0,0,0,0|2,0,0]=4 1606 B11R0.176 CCOC(=O)CCSCC(=O)[O-] 62a_100000765890_100020667443 [1,1,0,0,0,0|1,0,1]=4 1607 B11R0.176 CCOC(=O)CCSCC(=O)[O-] 62a_100020667443_100000765890 [1,1,0,0,0,0|1,0,1]=4 1608 B11R0.176 CCOC(=O)CNOCC(=O)O 269956a_100000106656_100000188475 [1,1,0,0,0,0|2,0,0]=4 1609 B11R0.176 CCOC(=O)COCCC(=O)C 1458a_100000070787_100000088970 [1,1,0,0,0,0|1,0,0]=3 1610 B11R0.176 CCOC(=O)COCCC(=O)C 34a_100000759926_100000188475 [1,1,0,0,0,0|1,0,0]=3 1611 B11R0.176 CCOC(=O)COCCC(=O)C 7a_100000759926_100000188475 [1,1,0,0,0,0|1,0,0]=3 1612 B11R0.176 CCOC(=O)COCCC(=O)N 34a_100000757172_100000188475 [1,1,0,0,0,0|2,0,0]=4 1613 B11R0.176 CCOC(=O)COCCC(=O)N 7a_100000757172_100000188475 [1,1,0,0,0,0|2,0,0]=4 1614 B11R0.176 CCOC(=O)CSCCC(=O)C 62a_100000053229_100000188475 [1,1,0,0,0,0|1,0,0]=3 1615 B11R0.176 CCOC(=O)CSCCC(=O)C 62a_100000188475_100000053229 [1,1,0,0,0,0|1,0,0]=3 1616 B11R0.176 CCOC(=O)CSCCC(=O)N 62a_100000188475_100000744528 [1,1,0,0,0,0|2,0,0]=4 1617 B11R0.176 CCOC(=O)CSCCC(=O)N 62a_100000744528_100000188475 [1,1,0,0,0,0|2,0,0]=4 1618 B11R0.176 CCOC(=O)CSCOC(=O)C 62a_100000076356_100000188475 [1,1,0,0,0,0|2,0,0]=4 1619 B11R0.176 CCOC(=O)CSCOC(=O)C 62a_100000188475_100000076356 [1,1,0,0,0,0|2,0,0]=4 1620 B11R0.176 CNNC(=O)CCCNC(=O)C 22a_100016993582_100000194741 [1,1,0,0,0,0|2,0,0]=4 1621 B11R0.176 COCC(=O)CCCCB(O)O 1458a_100000210968_200009817182 [1,1,0,0,0,0|1,0,1]=4 1622 B11R0.176 COCC(=O)CCCCC(=O)C 1458a_100000210968_100000735457 [1,1,0,0,0,0|0,0,0]=2 1623 B11R0.176 COCC(=O)CCCCC(C)C 1458a_100000210968_100011216152 [1,1,0,0,0,0|1,0,1]=4 1624 B11R0.176 COCC(=O)CCCOC(=O)C 1458a_100000210968_100000042594 [1,1,0,0,0,0|1,0,0]=3 1625 B11R0.176 COCC(=O)CCCOC(=S)C 1458a_100000210968_200135323944 [1,1,0,0,0,0|1,1,0]=4 1626 B11R0.176 COCC(=O)CCCSC(=O)C 1458a_100000210968_100000038929 [1,1,0,0,0,0|1,0,0]=3 1627 B11R0.176 COCC(=O)CCOCC(=O)N 1458a_100000210968_100000076697 [1,1,0,0,0,0|2,0,0]=4 1628 B11R0.176 COCC(=O)NCCCC(=O)N 240690a_100000739312_100000210968 [1,1,0,0,0,0|2,0,0]=4 1629 B11R0.176 COCC(=O)NCCCC(=O)N 527a_100000739312_100000210968 [1,1,0,0,0,0|2,0,0]=4 1630 B11R0.176 COCC(=O)NCCCS(=O)C 11a_200000753449_100000210968 [1,1,0,0,0,0|2,0,0]=4 1631 B11R0.176 COCC(=O)NCCCS(=O)C 240690a_200000753449_100000210968 [1,1,0,0,0,0|2,0,0]=4 1632 B11R0.176 COCC(=O)NCCCS(=O)C 527a_200000753449_100000210968 [1,1,0,0,0,0|2,0,0]=4 1633 B11R0.176 COCC(=O)NCCNC(=O)C 240690a_100000209853_100000210968 [1,1,0,0,0,0|2,0,0]=4 1634 B11R0.176 COCC(=O)NCCNC(=O)C 527a_100000209853_100000210968 [1,1,0,0,0,0|2,0,0]=4 1635 B11R0.176 COCC(=O)NCCOC(=O)C 11a_100000724843_100000210968 [1,1,0,0,0,0|2,0,0]=4 1636 B11R0.176 COCC(=O)NCCOC(=O)C 240690a_100000724843_100000210968 [1,1,0,0,0,0|2,0,0]=4 1637 B11R0.176 COCC(=O)NCCOC(=O)C 527a_100000724843_100000210968 [1,1,0,0,0,0|2,0,0]=4 1638 B11R0.176 COCC(=O)NCCSC(=O)C 11a_100020647217_100000210968 [1,1,0,0,0,0|2,0,0]=4 1639 B11R0.176 COCC(=O)NCCSC(=O)C 240690a_100020647217_100000210968 [1,1,0,0,0,0|2,0,0]=4 1640 B11R0.176 COCC(=O)NCCSC(=O)C 527a_100020647217_100000210968 [1,1,0,0,0,0|2,0,0]=4 1641 B11R0.176 CSCC(=O)CCCCC(=O)C 1458a_100000184570_100000735457 [1,1,0,0,0,0|0,1,0]=3 1642 B11R0.176 CSCC(=O)CCCOC(=O)C 1458a_100000184570_100000042594 [1,1,0,0,0,0|1,1,0]=4 1643 B11R0.176 CSCC(=O)CCCSC(=O)C 1458a_100000184570_100000038929 [1,1,0,0,0,0|1,1,0]=4 1644 B11R0.4 C/C=C/CCOCC(=O)OCC 34a_100016278192_100000188475 [1,1,0,0,0,0|2,0,0]=4 1645 B11R0.4 C/C=C/COCCC(=O)OCC 34a_100016270725_100000765890 [1,1,0,0,0,0|2,0,0]=4 1646 B11R0.4 C/C=C/CSCCC(=O)OCC 62a_100000765890_100102629194 [1,1,0,0,0,0|2,0,0]=4 1647 B11R0.4 C/C=C/CSCCC(=O)OCC 62a_100102629194_100000765890 [1,1,0,0,0,0|2,0,0]=4 1648 B11R0.4 CC=CCSCCC(=O)OCC 62a_100000070051_100000765890 [1,1,0,0,0,0|2,0,0]=4 1649 B11R0.4 CC=CCSCCC(=O)OCC 62a_100000765890_100000070051 [1,1,0,0,0,0|2,0,0]=4 1650 B11R0.4 CCCC(=O)CCCCCOC 1458a_100011935119_100000210303 [1,1,0,0,0,0|1,0,1]=4 1651 B11R0.4 CCCCCCCC(=O)COC 1458a_100000210968_100000210614 [1,1,0,0,0,0|1,0,1]=4 1652 B11R0.4 CCNC(=O)CCCCCOC 11a_100015525214_100011935119 [1,1,0,0,0,0|1,0,1]=4 1653 B11R0.4 CCNC(=O)CCCCCOC 240690a_100015525214_100011935119 [1,1,0,0,0,0|1,0,1]=4 1654 B11R0.4 CCNC(=O)CCCCCOC 527a_100015525214_100011935119 [1,1,0,0,0,0|1,0,1]=4 1655 B11R0.4 CCNCCCCC(=O)OCC 2230a_100015525214_100000750268 [1,1,0,0,0,0|2,0,0]=4 1656 B11R0.4 CCOC(=O)CCCCCNC 2230a_106832991635_100000755133 [1,1,0,0,0,0|1,0,1]=4 1657 B11R0.4 CCOC(=O)CCCCCNC 34a_100102657272_100000755133 [1,1,0,0,0,0|1,0,1]=4 1658 B11R0.4 CCOC(=O)CCCCCNC 7a_106832991635_100000755133 [1,1,0,0,0,0|1,0,1]=4 1659 B11R0.4 CCOC(=O)CCCCCOC 34a_100138415774_100000755133 [1,1,0,0,0,0|0,0,1]=3 1660 B11R0.4 CCOC(=O)CCCCCOC 7a_100011214988_200000210301 [1,1,0,0,0,0|0,0,1]=3 1661 B11R0.4 CCOC(=O)CCCCCO[13CH3] 7a_100011214988_200025704644 [1,1,0,0,0,0|0,0,1]=3 1662 B11R0.4 CCOC(=O)CCCCCSC 62a_100000755133_200000210301 [1,1,0,0,0,0|0,1,1]=4 1663 B11R0.4 CCOC(=O)CCCCCSC 62a_200000210301_100000755133 [1,1,0,0,0,0|0,1,1]=4 1664 B11R0.4 CCOC(=O)CCCCCS[13CH3] 62a_100000755133_200025704644 [1,1,0,0,0,0|0,1,1]=4 1665 B11R0.4 CCOC(=O)CCCCCS[13CH3] 62a_200025704644_100000755133 [1,1,0,0,0,0|0,1,1]=4 1666 B11R0.4 CCOC(=O)CCCCSCC 62a_100000210202_100000750268 [1,1,0,0,0,0|2,0,0]=4 1667 B11R0.4 CCOC(=O)CCCCSCC 62a_100000750268_100000210202 [1,1,0,0,0,0|2,0,0]=4 1668 B11R0.4 CCOC(=O)CCCSCOC 62a_100000766300_100009991533 [1,1,0,0,0,0|1,0,1]=4 1669 B11R0.4 CCOC(=O)CCCSCOC 62a_100009991533_100000766300 [1,1,0,0,0,0|1,0,1]=4 1670 B11R0.4 CCOC(=O)CCNCCOC 2230a_100000209980_100011206558 [1,1,0,0,0,0|1,0,1]=4 1671 B11R0.4 CCOC(=O)CCOCCOC 34a_100000210237_100000765890 [1,1,0,0,0,0|1,0,1]=4 1672 B11R0.4 CCOC(=O)CCSCCOC 62a_100000233755_100000765890 [1,1,0,0,0,0|1,0,1]=4 1673 B11R0.4 CCOC(=O)CCSCCOC 62a_100000765890_100000233755 [1,1,0,0,0,0|1,0,1]=4 1674 B11R0.4 CCOC(=O)CNCCCOC 34a_100150723488_100000188475 [1,1,0,0,0,0|1,0,1]=4 1675 B11R0.4 CCOC(=O)COCCCOC 34a_100000740835_100000188475 [1,1,0,0,0,0|1,0,1]=4 1676 B11R0.4 CCOC(=O)COCCCOC 34a_100138415774_100009893628 [1,1,0,0,0,0|1,0,1]=4 1677 B11R0.4 CCOC(=O)CSCCCOC 62a_100000188475_100000709357 [1,1,0,0,0,0|1,0,1]=4 1678 B11R0.4 CCOC(=O)CSCCCOC 62a_100000709357_100000188475 [1,1,0,0,0,0|1,0,1]=4 1679 B11R0.4 CCOCCCCC(=O)OCC 34a_100121572206_100000750268 [1,1,0,0,0,0|2,0,0]=4 1680 B11R0.4 CNNC(=O)CCCCCOC 22a_100016993582_100011935119 [1,1,0,0,0,0|1,0,1]=4 1681 B11R0.4 COCCCCCC(=O)CCF 1458a_100011935119_100011217306 [1,1,0,0,0,0|1,0,1]=4 1682 B11R0.4 COCCCCCC(=O)CCO 1458a_100011935119_100000211926 [1,1,0,0,0,0|1,0,1]=4 1683 B11R0.4 COCCOCCC(=O)COC 1458a_100000210968_100000695917 [1,1,0,0,0,0|1,0,1]=4 1684 B11R0.40 C/C=C/CCOCCC(=O)NC 34a_100016278192_100012179268 [1,1,0,0,0,0|2,0,0]=4 1685 B11R0.40 C/C=C/CCOCCC(=O)OC 34a_100016278192_100000742370 [1,1,0,0,0,0|1,0,0]=3 1686 B11R0.40 C/C=C/CNCCCC(=O)NC 34a_100000740002_100102629194 [1,1,0,0,0,0|2,0,0]=4 1687 B11R0.40 C/C=C/COCCCC(=O)NC 34a_100016270725_100000741757 [1,1,0,0,0,0|2,0,0]=4 1688 B11R0.40 C/C=C/COCCCC(=O)OC 34a_100016270725_100000742333 [1,1,0,0,0,0|1,0,0]=3 1689 B11R0.40 C/C=C/COCCNC(=O)OC 34a_100000757965_100102629194 [1,1,0,0,0,0|2,0,0]=4 1690 B11R0.40 C/C=C/COCCOC(=O)OC 34a_100010262106_100102629194 [1,1,0,0,0,0|2,0,0]=4 1691 B11R0.40 C/C=C/CSCCCC(=O)NC 62a_100000741757_100102629194 [1,1,0,0,0,0|2,0,0]=4 1692 B11R0.40 C/C=C/CSCCCC(=O)NC 62a_100102629194_100000741757 [1,1,0,0,0,0|2,0,0]=4 1693 B11R0.40 C/C=C/CSCCCC(=O)OC 62a_100011218270_100102629194 [1,1,0,0,0,0|1,0,0]=3 1694 B11R0.40 C/C=C/CSCCCC(=O)OC 62a_100102629194_100011218270 [1,1,0,0,0,0|1,0,0]=3 1695 B11R0.40 CC#CCCOCCC(=O)OC 34a_100000750427_100000742370 [1,1,0,0,0,0|1,0,1]=4 1696 B11R0.40 CC#CCNCCCC(=O)OC 2230a_100000685387_100011218270 [1,1,0,0,0,0|1,0,1]=4 1697 B11R0.40 CC#CCNCCCC(=O)OC 34a_100000685387_100000742333 [1,1,0,0,0,0|1,0,1]=4 1698 B11R0.40 CC#CCOCCCC(=O)OC 34a_100000761923_100000742333 [1,1,0,0,0,0|1,0,1]=4 1699 B11R0.40 CC#CCSCCCC(=O)OC 62a_100000748600_100011218270 [1,1,0,0,0,0|1,0,1]=4 1700 B11R0.40 CC#CCSCCCC(=O)OC 62a_100011218270_100000748600 [1,1,0,0,0,0|1,0,1]=4 1701 B11R0.40 CC/C=C\CCOCC(=O)OC 34a_100016288707_100000747449 [1,1,0,0,0,0|1,0,1]=4 1702 B11R0.40 CC/C=C\CCOCC(=O)OC 7a_100016288707_100000747449 [1,1,0,0,0,0|1,0,1]=4 1703 B11R0.40 CC/C=C\CCSCC(=O)OC 62a_100000747449_100015370543 [1,1,0,0,0,0|1,0,1]=4 1704 B11R0.40 CC/C=C\CCSCC(=O)OC 62a_100015370543_100000747449 [1,1,0,0,0,0|1,0,1]=4 1705 B11R0.40 CC/C=C\COCCC(=O)OC 34a_100016268518_100000742370 [1,1,0,0,0,0|1,0,1]=4 1706 B11R0.40 CC/C=C\CSCCC(=O)OC 62a_100000204255_100103147603 [1,1,0,0,0,0|1,0,1]=4 1707 B11R0.40 CC/C=C\CSCCC(=O)OC 62a_100103147603_100000204255 [1,1,0,0,0,0|1,0,1]=4 1708 B11R0.40 CC=C=CCCOCC(=O)OC 34a_100011020354_100000747449 [1,1,0,0,0,0|2,0,0]=4 1709 B11R0.40 CC=CCCCOCC(=O)NC 34a_100020645299_100000183359 [1,1,0,0,0,0|2,0,0]=4 1710 B11R0.40 CC=CCCCOCC(=O)OC 34a_100020645299_100000747449 [1,1,0,0,0,0|1,0,0]=3 1711 B11R0.40 CC=CCNCCCC(=O)NC 2230a_100000740002_100000070051 [1,1,0,0,0,0|2,0,0]=4 1712 B11R0.40 CC=CCNCCCC(=O)NC 34a_100000740002_100000070051 [1,1,0,0,0,0|2,0,0]=4 1713 B11R0.40 CC=CCOCCNC(=O)OC 34a_100000757965_100000070051 [1,1,0,0,0,0|2,0,0]=4 1714 B11R0.40 CC=CCOCCOC(=O)OC 34a_100010262106_100000070051 [1,1,0,0,0,0|2,0,0]=4 1715 B11R0.40 CC=CCSCCCC(=O)NC 62a_100000070051_100000741757 [1,1,0,0,0,0|2,0,0]=4 1716 B11R0.40 CC=CCSCCCC(=O)NC 62a_100000741757_100000070051 [1,1,0,0,0,0|2,0,0]=4 1717 B11R0.40 CC=CCSCCCC(=O)OC 62a_100000070051_100011218270 [1,1,0,0,0,0|1,0,0]=3 1718 B11R0.40 CC=CCSCCCC(=O)OC 62a_100011218270_100000070051 [1,1,0,0,0,0|1,0,0]=3 1719 B11R0.40 CCC(=O)CCCCCCOC 1458a_100000210414_100011998445 [1,1,0,0,0,0|1,0,1]=4 1720 B11R0.40 CCC(=O)CCCOCCOC 1458a_100000210414_100011216529 [1,1,0,0,0,0|1,0,1]=4 1721 B11R0.40 CCC(=O)COCCCCOC 34a_100000725409_100000755781 [1,1,0,0,0,0|1,0,1]=4 1722 B11R0.40 CCC(=O)CSCCCCOC 62a_100000730899_100000747405 [1,1,0,0,0,0|1,0,1]=4 1723 B11R0.40 CCC(=O)CSCCCCOC 62a_100000747405_100000730899 [1,1,0,0,0,0|1,0,1]=4 1724 B11R0.40 CCC(=O)NCCCCCOC 11a_100000747528_100000210414 [1,1,0,0,0,0|1,0,1]=4 1725 B11R0.40 CCC(=O)NCCCCCOC 1626a_100000747528_100000210414 [1,1,0,0,0,0|1,0,1]=4 1726 B11R0.40 CCC(=O)NCCCCCOC 240690a_100000747528_100000210414 [1,1,0,0,0,0|1,0,1]=4 1727 B11R0.40 CCC(=O)NCCCCCOC 527a_100000747528_100000210414 [1,1,0,0,0,0|1,0,1]=4 1728 B11R0.40 CCCCCCNCC(=O)OC 2230a_100000210581_100000747449 [1,1,0,0,0,0|1,0,1]=4 1729 B11R0.40 CCCCCCOCC(=O)OC 34a_100000210259_100000747449 [1,1,0,0,0,0|1,0,1]=4 1730 B11R0.40 CCCCCCOCC(=O)OC 7a_100000210259_100000747449 [1,1,0,0,0,0|1,0,1]=4 1731 B11R0.40 CCCCCCSCC(=O)OC 62a_100000210314_100000747449 [1,1,0,0,0,0|1,0,1]=4 1732 B11R0.40 CCCCCCSCC(=O)OC 62a_100000747449_100000210757 [1,1,0,0,0,0|1,0,1]=4 1733 B11R0.40 CCCCCNCCC(=O)OC 2230a_100000209983_100000204255 [1,1,0,0,0,0|1,0,1]=4 1734 B11R0.40 CCCCCOCCC(=O)OC 34a_100000210253_100000742370 [1,1,0,0,0,0|1,0,1]=4 1735 B11R0.40 CCCCCOCCC(=O)OC 7a_100000210253_100000204255 [1,1,0,0,0,0|1,0,1]=4 1736 B11R0.40 CCCCCSCCC(=O)OC 62a_100000204255_100000210326 [1,1,0,0,0,0|1,0,1]=4 1737 B11R0.40 CCCCCSCCC(=O)OC 62a_100000210326_100000204255 [1,1,0,0,0,0|1,0,1]=4 1738 B11R0.40 CCCCNCCCC(=O)OC 2230a_100000102301_100011218270 [1,1,0,0,0,0|1,0,1]=4 1739 B11R0.40 CCCCNCCCC(=O)OC 7a_106832991798_100011218270 [1,1,0,0,0,0|1,0,1]=4 1740 B11R0.40 CCCCOCCCC(=O)OC 34a_100000210227_100000742333 [1,1,0,0,0,0|1,0,1]=4 1741 B11R0.40 CCCCOCCCC(=O)OC 7a_100000210227_100011218270 [1,1,0,0,0,0|1,0,1]=4 1742 B11R0.40 CCCCSCCCC(=O)OC 62a_100000210211_100011218270 [1,1,0,0,0,0|1,0,1]=4 1743 B11R0.40 CCCCSCCCC(=O)OC 62a_100011218270_100000210210 [1,1,0,0,0,0|1,0,1]=4 1744 B11R0.40 CCCOCCCCC(=O)OC 34a_100000059025_100000210303 [1,1,0,0,0,0|1,0,1]=4 1745 B11R0.40 CCCOCCCCC(=O)OC 34a_100000210258_100000204269 [1,1,0,0,0,0|1,0,1]=4 1746 B11R0.40 CCCOCCCCC(=O)OC 7a_100000059025_100000210303 [1,1,0,0,0,0|1,0,1]=4 1747 B11R0.40 CCCSCCCCC(=O)OC 62a_100000204269_100000210303 [1,1,0,0,0,0|1,0,1]=4 1748 B11R0.40 CCCSCCCCC(=O)OC 62a_100000210303_100000204269 [1,1,0,0,0,0|1,0,1]=4 1749 B11R0.40 CCNCCCCCC(=O)OC 2230a_100015525214_100009816466 [1,1,0,0,0,0|1,0,1]=4 1750 B11R0.40 CCOCCCCCC(=O)OC 34a_100000074720_100000210202 [1,1,0,0,0,0|0,0,1]=3 1751 B11R0.40 CCOCCCCCC(=O)OC 34a_100121572206_100009816466 [1,1,0,0,0,0|0,0,1]=3 1752 B11R0.40 CCOCCCCCC(=O)OC 7a_100000074720_100000210202 [1,1,0,0,0,0|0,0,1]=3 1753 B11R0.40 CCOCCCNCC(=O)OC 2230a_100000210961_100000747449 [1,1,0,0,0,0|1,0,1]=4 1754 B11R0.40 CCOCCCNCC(=O)OC 34a_100000210961_100000747449 [1,1,0,0,0,0|1,0,1]=4 1755 B11R0.40 CCOCCCOCC(=O)OC 34a_100000757476_100000747449 [1,1,0,0,0,0|1,0,1]=4 1756 B11R0.40 CCOCCCOCC(=O)OC 7a_100000757476_100000747449 [1,1,0,0,0,0|1,0,1]=4 1757 B11R0.40 CCOCCCSCC(=O)OC 62a_100000747449_100012232248 [1,1,0,0,0,0|1,0,1]=4 1758 B11R0.40 CCOCCCSCC(=O)OC 62a_100012232248_100000747449 [1,1,0,0,0,0|1,0,1]=4 1759 B11R0.40 CCOCCNCCC(=O)OC 2230a_102516460346_100000204255 [1,1,0,0,0,0|1,0,1]=4 1760 B11R0.40 CCOCCNCCC(=O)OC 34a_102516460346_100000742370 [1,1,0,0,0,0|1,0,1]=4 1761 B11R0.40 CCOCCOCCC(=O)OC 34a_100000210136_100000742370 [1,1,0,0,0,0|1,0,1]=4 1762 B11R0.40 CCOCCOCCC(=O)OC 7a_100000210136_100000204255 [1,1,0,0,0,0|1,0,1]=4 1763 B11R0.40 CCOCCSCCC(=O)OC 62a_100000204255_100011215890 [1,1,0,0,0,0|1,0,1]=4 1764 B11R0.40 CCOCCSCCC(=O)OC 62a_100000210147_100000204255 [1,1,0,0,0,0|1,0,1]=4 1765 B11R0.40 CCOCSCCCC(=O)OC 62a_100000739092_100011218270 [1,1,0,0,0,0|1,0,1]=4 1766 B11R0.40 CCOCSCCCC(=O)OC 62a_100011218270_100000739092 [1,1,0,0,0,0|1,0,1]=4 1767 B11R0.40 CCSCCCCCC(=O)OC 62a_100000210202_100009816466 [1,1,0,0,0,0|0,1,1]=4 1768 B11R0.40 CCSCCCCCC(=O)OC 62a_100009816466_100000210202 [1,1,0,0,0,0|0,1,1]=4 1769 B11R0.40 CCSCCCOCC(=O)OC 34a_100011216438_100000747449 [1,1,0,0,0,0|2,0,0]=4 1770 B11R0.40 CCSCCCOCC(=O)OC 7a_100011216438_100000747449 [1,1,0,0,0,0|2,0,0]=4 1771 B11R0.40 CCSCCNCCC(=O)OC 2230a_100000106463_100000204255 [1,1,0,0,0,0|2,0,0]=4 1772 B11R0.40 CCSCCOCCC(=O)OC 34a_100000212035_100000742370 [1,1,0,0,0,0|2,0,0]=4 1773 B11R0.40 CCSCCOCCC(=O)OC 7a_100000212035_100000204255 [1,1,0,0,0,0|2,0,0]=4 1774 B11R0.40 CCSCCSCCC(=O)OC 62a_100000204255_100000757381 [1,1,0,0,0,0|2,0,0]=4 1775 B11R0.40 CCSCCSCCC(=O)OC 62a_100000757381_100000204255 [1,1,0,0,0,0|2,0,0]=4 1776 B11R0.40 CNC(=O)CCCNCCOC 2230a_100000209980_100000741757 [1,1,0,0,0,0|1,0,1]=4 1777 B11R0.40 CNC(=O)CCCNCCOC 2230a_100000740002_100011201679 [1,1,0,0,0,0|1,0,1]=4 1778 B11R0.40 CNC(=O)CCCNCCOC 34a_100000740002_100011201679 [1,1,0,0,0,0|1,0,1]=4 1779 B11R0.40 CNC(=O)CCCOCCOC 34a_100000210237_100000741757 [1,1,0,0,0,0|1,0,1]=4 1780 B11R0.40 CNC(=O)CCCSCCOC 62a_100000233755_100000741757 [1,1,0,0,0,0|1,0,1]=4 1781 B11R0.40 CNC(=O)CCCSCCOC 62a_100000741757_100000233755 [1,1,0,0,0,0|1,0,1]=4 1782 B11R0.40 CNC(=O)CCNCCCOC 2230a_100000738227_100000740836 [1,1,0,0,0,0|1,0,1]=4 1783 B11R0.40 CNC(=O)CCNCCCOC 34a_100000738227_100000740836 [1,1,0,0,0,0|1,0,1]=4 1784 B11R0.40 CNC(=O)CCNCCCOC 34a_100150723488_100012179268 [1,1,0,0,0,0|1,0,1]=4 1785 B11R0.40 CNC(=O)CCOCCCOC 34a_100000740835_100012179268 [1,1,0,0,0,0|1,0,1]=4 1786 B11R0.40 CNC(=O)CCOCCCOC 34a_100000754576_100000740836 [1,1,0,0,0,0|1,0,1]=4 1787 B11R0.40 CNC(=O)CCSCCCOC 62a_100000709357_100000737683 [1,1,0,0,0,0|1,0,1]=4 1788 B11R0.40 CNC(=O)CCSCCCOC 62a_100000737683_100000709357 [1,1,0,0,0,0|1,0,1]=4 1789 B11R0.40 CNC(=O)CNCCCCOC 2230a_100000693194_100000730899 [1,1,0,0,0,0|1,0,1]=4 1790 B11R0.40 CNC(=O)COCCCCOC 34a_100000740925_100000183359 [1,1,0,0,0,0|1,0,1]=4 1791 B11R0.40 CNC(=O)COCCCCOC 34a_100000750040_100000755781 [1,1,0,0,0,0|1,0,1]=4 1792 B11R0.40 CNC(=O)CSCCCCOC 62a_100000183359_100000730899 [1,1,0,0,0,0|1,0,1]=4 1793 B11R0.40 CNC(=O)CSCCCCOC 62a_100000730899_100000183359 [1,1,0,0,0,0|1,0,1]=4 1794 B11R0.40 CNC(=O)NCCCCCOC 2708a_100000747528_106832991635 [1,1,0,0,0,0|1,0,1]=4 1795 B11R0.40 CNC(=O)NCCCCCOC 2708a_100102657272_100000747528 [1,1,0,0,0,0|1,0,1]=4 1796 B11R0.40 CNC(=O)NCCCCCOC 273464a_100000747528_100102657272 [1,1,0,0,0,0|1,0,1]=4 1797 B11R0.40 CNC(=O)NCCCCCOC 273464a_100102657272_100000747528 [1,1,0,0,0,0|1,0,1]=4 1798 B11R0.40 CNC(=O)NCCCCCOC 512a_100000747528_100102657272 [1,1,0,0,0,0|1,0,1]=4 1799 B11R0.40 CNC(=O)NCCCCCOC 512a_106832991638_100000747528 [1,1,0,0,0,0|1,0,1]=4 1800 B11R0.40 CNCCCCCCC(=O)OC 2230a_106832991635_100009815986 [1,1,0,0,0,0|1,0,1]=4 1801 B11R0.40 CNCCCCCCC(=O)OC 34a_100102657272_100009815986 [1,1,0,0,0,0|1,0,1]=4 1802 B11R0.40 CNCCCCCCC(=O)OC 7a_106832991635_100009815986 [1,1,0,0,0,0|1,0,1]=4 1803 B11R0.40 CNCCCOCCC(=O)OC 34a_100000213112_100000742370 [1,1,0,0,0,0|1,0,1]=4 1804 B11R0.40 COC(=O)CCCCCCO[13CH3] 34a_100009863599_200025704644 [1,1,0,0,0,0|0,0,1]=3 1805 B11R0.40 COC(=O)CCCCCCO[13CH3] 7a_100009863599_200025704644 [1,1,0,0,0,0|0,0,1]=3 1806 B11R0.40 COC(=O)CCCCCCSC 62a_100009815986_200000210301 [1,1,0,0,0,0|0,1,1]=4 1807 B11R0.40 COC(=O)CCCCCCSC 62a_200000210301_100009815986 [1,1,0,0,0,0|0,1,1]=4 1808 B11R0.40 COC(=O)CCCCCCS[13CH3] 62a_100009815986_200025704644 [1,1,0,0,0,0|0,1,1]=4 1809 B11R0.40 COC(=O)CCCCCCS[13CH3] 62a_200025704644_100009815986 [1,1,0,0,0,0|0,1,1]=4 1810 B11R0.40 COC(=O)CCCCCOCF 34a_100000074720_100015361967 [1,1,0,0,0,0|0,0,1]=3 1811 B11R0.40 COC(=O)CCCCCOCF 7a_100000074720_100015361967 [1,1,0,0,0,0|0,0,1]=3 1812 B11R0.40 COC(=O)CCCCCSCF 62a_100009816466_100015361967 [1,1,0,0,0,0|0,1,1]=4 1813 B11R0.40 COC(=O)CCCCCSCF 62a_100015361967_100009816466 [1,1,0,0,0,0|0,1,1]=4 1814 B11R0.40 COC(=O)CCCCNCCF 34a_100000724931_100000204269 [1,1,0,0,0,0|2,0,0]=4 1815 B11R0.40 COC(=O)CCCCNCCO 2230a_100016997473_100000204269 [1,1,0,0,0,0|2,0,0]=4 1816 B11R0.40 COC(=O)CCCCNCCO 34a_100016990907_100000204269 [1,1,0,0,0,0|2,0,0]=4 1817 B11R0.40 COC(=O)CCCCOCCBr 34a_100000211926_100000204269 [1,1,0,0,0,0|2,0,0]=4 1818 B11R0.40 COC(=O)CCCCOCCF 34a_100000059025_100011217306 [1,1,0,0,0,0|2,0,0]=4 1819 B11R0.40 COC(=O)CCCCOCCF 7a_100000059025_100011217306 [1,1,0,0,0,0|2,0,0]=4 1820 B11R0.40 COC(=O)CCCCOCCN 34a_100000210304_100000204269 [1,1,0,0,0,0|2,0,0]=4 1821 B11R0.40 COC(=O)CCCCOCCO 34a_100000059025_100000211926 [1,1,0,0,0,0|2,0,0]=4 1822 B11R0.40 COC(=O)CCCCOCCO 7a_100000059025_100000211926 [1,1,0,0,0,0|2,0,0]=4 1823 B11R0.40 COC(=O)CCCCOCSC 34a_100000059025_100011218213 [1,1,0,0,0,0|0,1,1]=4 1824 B11R0.40 COC(=O)CCCCSCCF 62a_100000204269_100011217306 [1,1,0,0,0,0|2,0,0]=4 1825 B11R0.40 COC(=O)CCCCSCCF 62a_100011217306_100000204269 [1,1,0,0,0,0|2,0,0]=4 1826 B11R0.40 COC(=O)CCCCSCCO 62a_100000204269_100000211926 [1,1,0,0,0,0|2,0,0]=4 1827 B11R0.40 COC(=O)CCCCSCCO 62a_100000211926_100000204269 [1,1,0,0,0,0|2,0,0]=4 1828 B11R0.40 COC(=O)CCCCSCSC 62a_100000204269_100011218213 [1,1,0,0,0,0|0,1,1]=4 1829 B11R0.40 COC(=O)CCCCSCSC 62a_100011218213_100000204269 [1,1,0,0,0,0|0,1,1]=4 1830 B11R0.40 COC(=O)CCCNCCSC 2230a_100020590264_100011218270 [1,1,0,0,0,0|0,1,1]=4 1831 B11R0.40 COC(=O)CCCOCCON 34a_100000700252_100000742333 [1,1,0,0,0,0|1,0,1]=4 1832 B11R0.40 COC(=O)CCCOCCSC 34a_100000230434_100000742333 [1,1,0,0,0,0|0,1,1]=4 1833 B11R0.40 COC(=O)CCCOCCSC 7a_100000230434_100011218270 [1,1,0,0,0,0|0,1,1]=4 1834 B11R0.40 COC(=O)CCCSCCSC 62a_100000212216_100011218270 [1,1,0,0,0,0|0,1,1]=4 1835 B11R0.40 COC(=O)CCCSCCSC 62a_100011218270_100000751147 [1,1,0,0,0,0|0,1,1]=4 1836 B11R0.40 COC(=O)CCNCCCSC 2230a_100000749238_100000204255 [1,1,0,0,0,0|0,1,1]=4 1837 B11R0.40 COC(=O)CCOCCCSC 34a_100000690336_100000742370 [1,1,0,0,0,0|0,1,1]=4 1838 B11R0.40 COC(=O)CCOCCCSC 7a_100000690336_100000204255 [1,1,0,0,0,0|0,1,1]=4 1839 B11R0.40 COC(=O)COCCCCSC 34a_100011217163_100000747449 [1,1,0,0,0,0|0,1,1]=4 1840 B11R0.40 COC(=O)COCCCCSC 7a_100011217163_100000747449 [1,1,0,0,0,0|0,1,1]=4 1841 B11R0.40 COCCCCCCC(=O)OC 34a_100009863599_200000210301 [1,1,0,0,0,0|0,0,1]=3 1842 B11R0.40 COCCCCCCC(=O)OC 34a_100138415774_100009815986 [1,1,0,0,0,0|0,0,1]=3 1843 B11R0.40 COCCCCCCC(=O)OC 7a_100009863599_200000210301 [1,1,0,0,0,0|0,0,1]=3 1844 B11R0.40 COCCCCOCC(=O)OC 34a_100000740925_100000747449 [1,1,0,0,0,0|0,0,1]=3 1845 B11R0.40 COCCCCSCC(=O)OC 62a_100000730899_100000747449 [1,1,0,0,0,0|0,0,1]=3 1846 B11R0.40 COCCCCSCC(=O)OC 62a_100000747449_100000730899 [1,1,0,0,0,0|0,0,1]=3 1847 B11R0.40 COCCCNCCC(=O)OC 34a_100150723488_100000742370 [1,1,0,0,0,0|0,0,1]=3 1848 B11R0.40 COCCCOCCC(=O)OC 34a_100000740835_100000742370 [1,1,0,0,0,0|0,0,1]=3 1849 B11R0.40 COCCCSCCC(=O)OC 62a_100000204255_100000709357 [1,1,0,0,0,0|0,0,1]=3 1850 B11R0.40 COCCCSCCC(=O)OC 62a_100000709357_100000204255 [1,1,0,0,0,0|0,0,1]=3 1851 B11R0.40 COCCCSCOC(=O)OC 62a_100000709357_100000139417 [1,1,0,0,0,0|1,0,1]=4 1852 B11R0.40 COCCNCCCC(=O)OC 2230a_100000209980_100011218270 [1,1,0,0,0,0|0,0,1]=3 1853 B11R0.40 COCCOCCCC(=O)OC 34a_100000210237_100000742333 [1,1,0,0,0,0|0,0,1]=3 1854 B11R0.40 COCCOCCNC(=O)OC 34a_100000757965_100011201679 [1,1,0,0,0,0|1,0,1]=4 1855 B11R0.40 COCCOCCOC(=O)OC 34a_100010262106_100011201679 [1,1,0,0,0,0|1,0,1]=4 1856 B11R0.40 COCCOCSCC(=O)OC 62a_100000231047_100000747449 [1,1,0,0,0,0|1,0,1]=4 1857 B11R0.40 COCCOCSCC(=O)OC 62a_100000747449_100000231047 [1,1,0,0,0,0|1,0,1]=4 1858 B11R0.40 COCCSCCCC(=O)OC 62a_100000233755_100011218270 [1,1,0,0,0,0|0,0,1]=3 1859 B11R0.40 COCCSCCCC(=O)OC 62a_100011218270_100000233755 [1,1,0,0,0,0|0,0,1]=3 1860 B11R0.40 COCSCCCCC(=O)OC 62a_100000204269_100000766300 [1,1,0,0,0,0|0,0,1]=3 1861 B11R0.40 COCSCCCCC(=O)OC 62a_100000766300_100000204269 [1,1,0,0,0,0|0,0,1]=3 1862 B11R0.40 COCSCCOCC(=O)OC 62a_100000090808_100000766300 [1,1,0,0,0,0|1,0,1]=4 1863 B11R0.40 COCSCCOCC(=O)OC 62a_100000766300_100000090808 [1,1,0,0,0,0|1,0,1]=4 1864 B11R0.42 COCCCCCC(=O)C(C)C 1458a_100011935119_100000210206 [1,1,0,0,0,0|1,0,1]=4 1865 B11R0.42 COCCCCCC(=O)N(C)C 11a_100102631434_100011935119 [1,1,0,0,0,0|1,0,1]=4 1866 B11R0.42 COCCCCCC(=O)N(C)C 1626a_100102631434_100011935119 [1,1,0,0,0,0|1,0,1]=4 1867 B11R0.42 COCCCCCC(=O)N(C)C 240690a_100102631434_100011935119 [1,1,0,0,0,0|1,0,1]=4 1868 B11R0.42 COCCCCCC(=O)N(C)C 527a_100102631434_100011935119 [1,1,0,0,0,0|1,0,1]=4 1869 B11R0.70 C/C=C/CC(=O)CCC(=O)OC 1458a_100000187943_100102629194 [1,1,0,0,0,0|1,0,1]=4 1870 B11R0.70 C/C=C/CN(C)CCC(=O)OC 269982a_100025711912_100102629194 [1,1,0,0,0,0|2,0,0]=4 1871 B11R0.70 CC=CCC(=O)CCC(=O)OC 1458a_100000187943_100000070051 [1,1,0,0,0,0|1,0,1]=4 1872 B11R0.70 COCCC(=O)CCC(=O)OC 1458a_100000187943_100000233755 [1,1,0,0,0,0|0,0,2]=4 1873 B11R0.70 COCCN(C)CCC(=O)OC 2230a_100000743101_100000204255 [1,1,0,0,0,0|1,0,1]=4 1874 B11R0.70 COCCN(C)CCC(=O)OC 269982a_100000743101_100000204255 [1,1,0,0,0,0|1,0,1]=4 1875 B11R0.70 COCCN(C)CCC(=O)OC 269982a_100025711912_100000233755 [1,1,0,0,0,0|1,0,1]=4 1876 B11R0.111 COC(=O)CCCCCC(=O)C 1458a_100000070787_100009816466 [1,1,0,0,0,0|1,0,1]=4 1877 B11R0.111 COC(=O)CCCCCC(=O)C 1458a_100009848860_200000210301 [1,1,0,0,0,0|1,0,1]=4 1878 B11R0.111 COC(=O)CCCCCC(=O)[13CH3] 1458a_100009848860_200025704644 [1,1,0,0,0,0|1,0,1]=4 1879 B11R0.111 COC(=O)CCCCCN(C)C 2230a_100102631434_100009816466 [1,1,0,0,0,0|1,0,1]=4 1880 B11R0.111 COC(=O)CCCCCN(C)C 269982a_100102631434_100009816466 [1,1,0,0,0,0|1,0,1]=4 1881 B11R0.111 COC(=O)CCCCNC(=O)C 188690a_100000746077_100015343762 [1,1,0,0,0,0|2,0,0]=4 1882 B11R0.111 COC(=O)CCCCNC(C)C 2230a_100138425928_100000204269 [1,1,0,0,0,0|2,0,0]=4 1883 B11R0.111 COC(=O)CCCCNC(C)C 34a_100138425928_100000204269 [1,1,0,0,0,0|2,0,0]=4 1884 B11R0.111 COC(=O)CCCCOC(C)C 34a_100000059025_100000210206 [1,1,0,0,0,0|2,0,0]=4 1885 B11R0.111 COC(=O)CCCCOC(C)C 34a_100000212225_100000204269 [1,1,0,0,0,0|2,0,0]=4 1886 B11R0.111 COC(=O)CCCCOC(C)C 7a_100000059025_100000210206 [1,1,0,0,0,0|2,0,0]=4 1887 B11R0.111 COC(=O)CCCCSC(C)C 62a_100000204269_100000210206 [1,1,0,0,0,0|2,0,0]=4 1888 B11R0.111 COC(=O)CCCCSC(C)C 62a_100000210206_100000204269 [1,1,0,0,0,0|2,0,0]=4 1889 B11R0.111 COC(=O)CCNCC=C(C)C 34a_100000718196_100000742370 [1,1,0,0,0,0|2,0,0]=4 1890 B11R0.111 COC(=O)CCOCC=C(C)C 34a_100000753907_100000742370 [1,1,0,0,0,0|2,0,0]=4 1891 B11R0.111 COC(=O)CCSCC=C(C)C 62a_100000204255_100000761012 [1,1,0,0,0,0|2,0,0]=4 1892 B11R0.111 COC(=O)CCSCC=C(C)C 62a_100000761012_100000204255 [1,1,0,0,0,0|2,0,0]=4 1893 B11R0.111 COC(=O)CSCCC=C(C)C 62a_100000747449_100011217483 [1,1,0,0,0,0|2,0,0]=4 1894 B11R0.111 COC(=O)CSCCC=C(C)C 62a_100011217483_100000747449 [1,1,0,0,0,0|2,0,0]=4 1895 B11R0.142 C/C=C/CCOC(C)C(=O)OC 34a_100016278192_100000211248 [1,1,0,0,0,0|2,0,0]=4 1896 B11R0.142 C/C=C/COCC(C)C(=O)OC 34a_100000749362_100102629194 [1,1,0,0,0,0|2,0,0]=4 1897 B11R0.142 C/C=C/COCC(C)C(=O)OC 34a_100016270725_100000698445 [1,1,0,0,0,0|2,0,0]=4 1898 B11R0.142 C/C=C/COCC(C)C(=O)OC 7a_100000749362_100102629194 [1,1,0,0,0,0|2,0,0]=4 1899 B11R0.142 C/C=C/COCC(F)C(=O)OC 34a_200009849844_100102629194 [1,1,0,0,0,0|2,0,0]=4 1900 B11R0.142 C/C=C/COC[C@@H](N)C(=O)OC 34a_100000003586_100102629194 [1,1,0,0,0,0|2,0,0]=4 1901 B11R0.142 C/C=C/CSCC(C)C(=O)OC 62a_100000698445_100102629194 [1,1,0,0,0,0|2,0,0]=4 1902 B11R0.142 C/C=C/CSCC(C)C(=O)OC 62a_100102629194_100000698445 [1,1,0,0,0,0|2,0,0]=4 1903 B11R0.142 CC=CCOCC(C)C(=O)OC 34a_100000749362_100000070051 [1,1,0,0,0,0|2,0,0]=4 1904 B11R0.142 CC=CCOCC(C)C(=O)OC 7a_100000749362_100000070051 [1,1,0,0,0,0|2,0,0]=4 1905 B11R0.142 CC=CCOCC(F)C(=O)OC 34a_200009849844_100000070051 [1,1,0,0,0,0|2,0,0]=4 1906 B11R0.142 CC=CCOC[C@@H](N)C(=O)OC 34a_100000003586_100000070051 [1,1,0,0,0,0|2,0,0]=4 1907 B11R0.142 CC=CCSCC(C)C(=O)OC 62a_100000070051_100000698445 [1,1,0,0,0,0|2,0,0]=4 1908 B11R0.142 CC=CCSCC(C)C(=O)OC 62a_100000698445_100000070051 [1,1,0,0,0,0|2,0,0]=4 1909 B11R0.142 COCCCNC(C)C(=O)OC 34a_100150723488_100000211248 [1,1,0,0,0,0|1,0,1]=4 1910 B11R0.142 COCCCOC(C)C(=O)OC 34a_100000740835_100000211248 [1,1,0,0,0,0|1,0,1]=4 1911 B11R0.142 COCCCOC(C)C(=O)OC 34a_100011215400_100000740836 [1,1,0,0,0,0|1,0,1]=4 1912 B11R0.142 COCCCSC(C)C(=O)OC 62a_100000211248_100000709357 [1,1,0,0,0,0|1,0,1]=4 1913 B11R0.142 COCCCSC(C)C(=O)OC 62a_100000709357_100000211248 [1,1,0,0,0,0|1,0,1]=4 1914 B11R0.142 COCCOCC(C)C(=O)OC 34a_100000210237_100000698445 [1,1,0,0,0,0|1,0,1]=4 1915 B11R0.142 COCCOCC(C)C(=O)OC 34a_100000749362_100011201679 [1,1,0,0,0,0|1,0,1]=4 1916 B11R0.142 COCCOCC(C)C(=O)OC 7a_100000749362_100000233755 [1,1,0,0,0,0|1,0,1]=4 1917 B11R0.142 COCCOCC(F)C(=O)OC 34a_200009849844_100011201679 [1,1,0,0,0,0|1,0,1]=4 1918 B11R0.142 COCCOC[C@@H](N)C(=O)OC 34a_100000003586_100011201679 [1,1,0,0,0,0|1,0,1]=4 1919 B11R0.142 COCCSCC(C)C(=O)OC 62a_100000233755_100000698445 [1,1,0,0,0,0|1,0,1]=4 1920 B11R0.142 COCCSCC(C)C(=O)OC 62a_100000698445_100000233755 [1,1,0,0,0,0|1,0,1]=4 1921 B11R0.142 COCSCCC(C)C(=O)OC 62a_100000034942_100000766300 [1,1,0,0,0,0|1,0,1]=4 1922 B11R0.142 COCSCCC(C)C(=O)OC 62a_100000766300_100000034942 [1,1,0,0,0,0|1,0,1]=4 1923 B11R0.154 C/C=C/COC(C)CC(=O)OC 34a_100016270725_100009817358 [1,1,0,0,0,0|2,0,0]=4 1924 B11R0.154 C/C=C/CSC(C)CC(=O)OC 62a_100009817358_100102629194 [1,1,0,0,0,0|2,0,0]=4 1925 B11R0.154 C/C=C/CSC(C)CC(=O)OC 62a_100102629194_100009817358 [1,1,0,0,0,0|2,0,0]=4 1926 B11R0.154 CC=CCSC(C)CC(=O)OC 62a_100000070051_100009817358 [1,1,0,0,0,0|2,0,0]=4 1927 B11R0.154 CC=CCSC(C)CC(=O)OC 62a_100009817358_100000070051 [1,1,0,0,0,0|2,0,0]=4 1928 B11R0.154 COCCCC(=O)CC(=O)OC 1458a_100000211351_100000740836 [1,1,0,0,0,0|0,0,2]=4 1929 B11R0.154 COCCCC(=O)CC(=O)OC 1458a_100000741012_100000747449 [1,1,0,0,0,0|0,0,2]=4 1930 B11R0.154 COCCCN(C)CC(=O)OC 2230a_100000198492_100000740836 [1,1,0,0,0,0|1,0,1]=4 1931 B11R0.154 COCCCN(C)CC(=O)OC 2230a_100000224831_100000747449 [1,1,0,0,0,0|1,0,1]=4 1932 B11R0.154 COCCCN(C)CC(=O)OC 269982a_100000224831_100000747449 [1,1,0,0,0,0|1,0,1]=4 1933 B11R0.154 COCCNC(C)CC(=O)OC 2230a_100000209980_100009817358 [1,1,0,0,0,0|1,0,1]=4 1934 B11R0.154 COCCOC(C)CC(=O)OC 34a_100000210237_100009817358 [1,1,0,0,0,0|1,0,1]=4 1935 B11R0.154 COCCSC(C)CC(=O)OC 62a_100000233755_100009817358 [1,1,0,0,0,0|1,0,1]=4 1936 B11R0.154 COCCSC(C)CC(=O)OC 62a_100009817358_100000233755 [1,1,0,0,0,0|1,0,1]=4 1937 B11R0.154 COCSC[C@H](O)CC(=O)OC 62a_100000754131_100000766300 [1,1,0,0,0,0|1,0,1]=4 1938 B11R0.154 COCSC[C@H](O)CC(=O)OC 62a_100000766300_100000754131 [1,1,0,0,0,0|1,0,1]=4 1939 B11R0.174 C/C=C/C(C)OCCC(=O)OC 34a_200102604097_100000742370 [1,1,0,0,0,0|2,0,0]=4 1940 B11R0.174 CC=CC(=O)CCCC(=O)OC 1458a_100000210699_100011218270 [1,1,0,0,0,0|1,0,1]=4 1941 B11R0.174 COCC(=O)CCCC(=O)OC 1458a_100000210968_100011218270 [1,1,0,0,0,0|0,0,2]=4 1942 B11R0.174 COCC(C)SCCC(=O)OC 62a_100000204255_100000765312 [1,1,0,0,0,0|1,0,1]=4 1943 B11R0.174 COCC(C)SCCC(=O)OC 62a_100000765312_100000204255 [1,1,0,0,0,0|1,0,1]=4 1944 B11R0.174 COCC(N)COCC(=O)OC 34a_100000724102_100000747449 [1,1,0,0,0,0|1,0,1]=4 1945 B11R0.174 COCC(O)CNCC(=O)OC 2230a_100000756049_100000747449 [1,1,0,0,0,0|1,0,1]=4 1946 B11R0.174 COCC(O)CNCC(=O)OC 34a_100000756049_100000747449 [1,1,0,0,0,0|1,0,1]=4 1947 B11R0.174 COCC(O)CSCC(=O)OC 62a_100000747449_100011215053 [1,1,0,0,0,0|1,0,1]=4 1948 B11R0.174 COCC(O)CSCC(=O)OC 62a_100011215053_100000747449 [1,1,0,0,0,0|1,0,1]=4 1949 B11R0.174 COCN(C)CCCC(=O)OC 269982a_100000739225_100000766300 [1,1,0,0,0,0|1,0,1]=4 1950 B11R0.174 COC[C@@H](C)NCCC(=O)OC 2230a_100000764878_100000204255 [1,1,0,0,0,0|1,0,1]=4 1951 B11R0.174 COC[C@@H](C)OCCC(=O)OC 34a_100011934205_100000742370 [1,1,0,0,0,0|1,0,1]=4 1952 B11R0.110 CCC(=O)CC(=O)CC(=O)OC 1458a_100000211351_100000747405 [0,1,0,0,1,0|1,0,1]=4 1953 B11R0.110 CCC(=O)CC(C)CC(=O)OC 1458a_100000732146_100000210202 [0,1,0,0,1,0|1,0,0]=3 1954 B11R0.110 CCC(=O)N[C@H](C)CC(=O)OC 188690a_100016994721_100000210414 [0,1,0,0,1,0|2,0,0]=4 1955 B11R0.110 CNC(=O)CC(=O)CC(=O)OC 1458a_100000211351_100000183359 [0,1,0,0,1,0|1,0,1]=4 1956 B11R0.110 CNC(=O)CC(C)CC(=O)OC 11a_106832991635_100000732146 [0,1,0,0,1,0|1,0,0]=3 1957 B11R0.110 CNC(=O)CC(C)CC(=O)OC 1626a_100102657272_100000732146 [0,1,0,0,1,0|1,0,0]=3 1958 B11R0.110 CNC(=O)CC(C)CC(=O)OC 240690a_100102657272_100000732146 [0,1,0,0,1,0|1,0,0]=3 1959 B11R0.110 CNC(=O)CC(C)CC(=O)OC 527a_100102657272_100000732146 [0,1,0,0,1,0|1,0,0]=3 1960 B11R0.110 CNC(=O)CN(C)CC(=O)OC 2230a_100000189611_100000747449 [0,1,0,0,1,0|2,0,0]=4 1961 B11R0.110 CNC(=O)CN(C)CC(=O)OC 2230a_100000198492_100000183359 [0,1,0,0,1,0|2,0,0]=4 1962 B11R0.110 COC(=O)CC(=O)CC(=O)OC 1458a_100000211351_100000747449 [0,1,0,0,1,0|0,0,1]=3 1963 B11R0.110 COC(=O)CC(C)CC(=O)CF 1458a_100000732146_100015361967 [0,1,0,0,1,0|2,0,0]=4 1964 B11R0.110 COC(=O)CN(C)CC(=O)OC 2230a_100000198492_100000747449 [0,1,0,0,1,0|1,0,0]=3 1965 B11R0.110 COC(=O)CN(C)CC(=O)OC 2230a_100000750971_200000210301 [0,1,0,0,1,0|1,0,0]=3 1966 B11R0.110 COC(=O)CN([13CH3])CC(=O)OC 2230a_100000750971_200025704644 [0,1,0,0,1,0|1,0,0]=3 1967 B11R0.120 C#CC(=O)CCC(C)C(=O)OC 1458a_100000211873_100000034942 [0,1,0,0,1,0|1,0,1]=4 1968 B11R0.120 C=CC(=O)CCC(C)C(=O)OC 1458a_100000185746_100000034942 [0,1,0,0,1,0|1,0,1]=4 1969 B11R0.120 CCC(=O)C(C)SCC(=O)OC 62a_100000742827_100000747449 [0,1,0,0,1,0|2,0,0]=4 1970 B11R0.120 CCC(=O)C(C)SCC(=O)OC 62a_100000747449_100000742827 [0,1,0,0,1,0|2,0,0]=4 1971 B11R0.120 CCC(=O)CCC(C)C(=O)OC 1458a_100000210414_100000034942 [0,1,0,0,1,0|1,0,0]=3 1972 B11R0.120 CCC(=O)COC(C)C(=O)OC 34a_100000725409_100000211248 [0,1,0,0,1,0|2,0,0]=4 1973 B11R0.120 CCC(=O)CSC(C)C(=O)OC 62a_100000211248_100000747405 [0,1,0,0,1,0|2,0,0]=4 1974 B11R0.120 CCC(=O)CSC(C)C(=O)OC 62a_100000747405_100000211248 [0,1,0,0,1,0|2,0,0]=4 1975 B11R0.120 CCC(=O)N(C)CCC(=O)OC 11a_100025711912_100000210414 [0,1,0,0,1,0|2,0,0]=4 1976 B11R0.120 CCC(=O)N(C)CCC(=O)OC 1626a_100025711912_100000210414 [0,1,0,0,1,0|2,0,0]=4 1977 B11R0.120 CCC(=O)N(C)CCC(=O)OC 240690a_100025711912_100000210414 [0,1,0,0,1,0|2,0,0]=4 1978 B11R0.120 CCC(=O)N(C)CCC(=O)OC 527a_100025711912_100000210414 [0,1,0,0,1,0|2,0,0]=4 1979 B11R0.120 CCC(=O)NCC(O)C(=O)OC 188690a_100000695228_100000210414 [0,1,0,0,1,0|2,0,0]=4 1980 B11R0.120 CNC(=O)C(C)SCC(=O)OC 62a_100000209862_100000747449 [0,1,0,0,1,0|2,0,0]=4 1981 B11R0.120 CNC(=O)C(C)SCC(=O)OC 62a_100000747449_100000731044 [0,1,0,0,1,0|2,0,0]=4 1982 B11R0.120 CNC(=O)C(F)SCC(=O)OC 62a_100000747449_100009813575 [0,1,0,0,1,0|2,0,0]=4 1983 B11R0.120 CNC(=O)C(F)SCC(=O)OC 62a_100009813575_100000747449 [0,1,0,0,1,0|2,0,0]=4 1984 B11R0.120 CNC(=O)CNC(C)C(=O)OC 2230a_100000693194_100000211248 [0,1,0,0,1,0|2,0,0]=4 1985 B11R0.120 CNC(=O)COC(C)C(=O)OC 34a_100000750040_100000211248 [0,1,0,0,1,0|2,0,0]=4 1986 B11R0.120 CNC(=O)COC(C)C(=O)OC 34a_100011215400_100000183359 [0,1,0,0,1,0|2,0,0]=4 1987 B11R0.120 CNC(=O)CSC(C)C(=O)OC 62a_100000183359_100000211248 [0,1,0,0,1,0|2,0,0]=4 1988 B11R0.120 CNC(=O)CSC(C)C(=O)OC 62a_100000211248_100000183359 [0,1,0,0,1,0|2,0,0]=4 1989 B11R0.120 CNC(=O)[C@@H](C)NCC(=O)OC 2230a_100000684985_100000747449 [0,1,0,0,1,0|2,0,0]=4 1990 B11R0.120 CNC(=O)[C@@H](C)NCC(=O)OC 34a_100000684985_100000747449 [0,1,0,0,1,0|2,0,0]=4 1991 B11R0.120 COC(=O)C(C)CCC(=O)CO 1458a_100000210174_100000034942 [0,1,0,0,1,0|2,0,0]=4 1992 B11R0.120 COC(=O)COC(C)C(=O)OC 34a_100011215400_100000747449 [0,1,0,0,1,0|1,0,0]=3 1993 B11R0.120 COC(=O)CSC(C)C(=O)OC 62a_100000211248_100000747449 [0,1,0,0,1,0|1,0,0]=3 1994 B11R0.120 COC(=O)CSC(C)C(=O)OC 62a_100000747449_100000211248 [0,1,0,0,1,0|1,0,0]=3 1995 B13R0.87 C#CC(=O)CCCCCC(=O)OCC 1458a_100000211873_100000755133 [0,1,0,0,0,1|1,0,1]=4 1996 B13R0.87 C#CC(=O)CCCOCC(=O)OCC 1458a_100000211873_100009893628 [0,1,0,0,0,1|1,0,1]=4 1997 B13R0.87 C#CCC(=O)CCCCCC(=O)OC 1458a_100009848860_100000184674 [0,1,0,0,0,1|1,0,1]=4 1998 B13R0.87 C#CCC(=O)CCCCCC(=O)OC 1458a_100011220946_100009816466 [0,1,0,0,0,1|1,0,1]=4 1999 B13R0.87 C#CCC(=O)NCCCCC(=O)OC 188690a_100000746077_100011220946 [0,1,0,0,0,1|1,0,1]=4 2000 B13R0.87 C=CC(=O)CCCCCC(=O)OCC 1458a_100000185746_100000755133 [0,1,0,0,0,1|1,0,1]=4 2001 B13R0.87 C=CC(=O)CCCOCC(=O)OCC 1458a_100000185746_100009893628 [0,1,0,0,0,1|1,0,1]=4 2002 B13R0.87 C=CCC(=O)CCCCCC(=O)OC 1458a_100000210193_100009816466 [0,1,0,0,0,1|1,0,1]=4 2003 B13R0.87 C=CCC(=O)CCCCCC(=O)OC 1458a_100009848860_100000210623 [0,1,0,0,0,1|1,0,1]=4 2004 B13R0.87 C=CCC(=O)NCCCCC(=O)OC 188690a_100000746077_100000210193 [0,1,0,0,0,1|1,0,1]=4 2005 B13R0.87 C=COC(=O)CNCCCC(=O)NC 2230a_100000740002_100000036128 [0,1,0,0,0,1|1,0,1]=4 2006 B13R0.87 C=COC(=O)CNCCCC(=O)NC 34a_100000740002_100000036128 [0,1,0,0,0,1|1,0,1]=4 2007 B13R0.87 C=COC(=O)COCCNC(=O)OC 34a_100000757965_100000036128 [0,1,0,0,0,1|1,0,1]=4 2008 B13R0.87 C=COC(=O)COCCOC(=O)OC 34a_100010262106_100000036128 [0,1,0,0,0,1|1,0,1]=4 2009 B13R0.87 C=COC(=O)CSCCCC(=O)NC 62a_100000036128_100000741757 [0,1,0,0,0,1|1,0,1]=4 2010 B13R0.87 C=COC(=O)CSCCCC(=O)NC 62a_100000741757_100000036128 [0,1,0,0,0,1|1,0,1]=4 2011 B13R0.87 C=COC(=O)CSCCCC(=O)OC 62a_100000036128_100011218270 [0,1,0,0,0,1|0,0,1]=3 2012 B13R0.87 C=COC(=O)CSCCCC(=O)OC 62a_100011218270_100000036128 [0,1,0,0,0,1|0,0,1]=3 2013 B13R0.87 CC#CC(=O)CCCCCC(=O)OC 1458a_100000763181_100009816466 [0,1,0,0,0,1|1,0,0]=3 2014 B13R0.87 CC=CC(=O)CCCCCC(=O)OC 1458a_100000210699_100009816466 [0,1,0,0,0,1|1,0,0]=3 2015 B13R0.87 CC=CC(=O)NCCCCC(=O)OC 188690a_100000746077_100000210699 [0,1,0,0,0,1|1,0,0]=3 2016 B13R0.87 CCCC(=O)CCCCCC(=O)OC 1458a_100000211992_100009816466 [0,1,0,0,0,1|1,0,0]=3 2017 B13R0.87 CCCC(=O)CCCCCC(=O)OC 1458a_100009848860_100000210303 [0,1,0,0,0,1|1,0,0]=3 2018 B13R0.87 CCCC(=O)CNCCCC(=O)NC 2230a_100000740002_100000747444 [0,1,0,0,0,1|2,0,0]=4 2019 B13R0.87 CCCC(=O)CSCCCC(=O)NC 62a_100000741757_100000747444 [0,1,0,0,0,1|2,0,0]=4 2020 B13R0.87 CCCC(=O)CSCCCC(=O)NC 62a_100000747444_100000741757 [0,1,0,0,0,1|2,0,0]=4 2021 B13R0.87 CCCC(=O)CSCCCC(=O)OC 62a_100000747444_100011218270 [0,1,0,0,0,1|1,0,0]=3 2022 B13R0.87 CCCC(=O)CSCCCC(=O)OC 62a_100011218270_100000747444 [0,1,0,0,0,1|1,0,0]=3 2023 B13R0.87 CCCC(=O)NCCCCC(=O)OC 188690a_100000746077_100000211992 [0,1,0,0,0,1|1,0,0]=3 2024 B13R0.87 CCCC(=O)OCSCCC(=O)OC 62a_100000204255_100000034017 [0,1,0,0,0,1|2,0,0]=4 2025 B13R0.87 CCNC(=O)CCCCCC(=O)OC 11a_100015525214_100009848860 [0,1,0,0,0,1|1,0,0]=3 2026 B13R0.87 CCNC(=O)CCCCCC(=O)OC 240690a_100015525214_100009848860 [0,1,0,0,0,1|1,0,0]=3 2027 B13R0.87 CCNC(=O)CCNCCC(=O)NC 2230a_100000738227_100000737597 [0,1,0,0,0,1|2,0,0]=4 2028 B13R0.87 CCNC(=O)CCNCCC(=O)NC 34a_100025743525_100012179268 [0,1,0,0,0,1|2,0,0]=4 2029 B13R0.87 CCNC(=O)CCNCCC(=O)OC 34a_100025743525_100000742370 [0,1,0,0,0,1|1,0,0]=3 2030 B13R0.87 CCNC(=O)CCSCCC(=O)NC 62a_100000737597_100000737683 [0,1,0,0,0,1|2,0,0]=4 2031 B13R0.87 CCNC(=O)CCSCCC(=O)NC 62a_100000737683_100000737597 [0,1,0,0,0,1|2,0,0]=4 2032 B13R0.87 CCNC(=O)CCSCCC(=O)OC 62a_100000204255_100000737597 [0,1,0,0,0,1|1,0,0]=3 2033 B13R0.87 CCNC(=O)CCSCCC(=O)OC 62a_100000737597_100000204255 [0,1,0,0,0,1|1,0,0]=3 2034 B13R0.87 CCNC(=O)CCSCOC(=O)OC 62a_100000737597_100000139417 [0,1,0,0,0,1|2,0,0]=4 2035 B13R0.87 CCNC(=O)CNCCCC(=O)NC 2230a_100000740002_100000183381 [0,1,0,0,0,1|2,0,0]=4 2036 B13R0.87 CCNC(=O)CNCCCC(=O)NC 2230a_100016988866_100000741757 [0,1,0,0,0,1|2,0,0]=4 2037 B13R0.87 CCNC(=O)CNCCCC(=O)NC 34a_100000740002_100000183381 [0,1,0,0,0,1|2,0,0]=4 2038 B13R0.87 CCNC(=O)CNCCCC(=O)OC 2230a_100016988866_100011218270 [0,1,0,0,0,1|1,0,0]=3 2039 B13R0.87 CCNC(=O)COCCNC(=O)OC 34a_100000757965_100000183381 [0,1,0,0,0,1|2,0,0]=4 2040 B13R0.87 CCNC(=O)COCCOC(=O)OC 34a_100010262106_100000183381 [0,1,0,0,0,1|2,0,0]=4 2041 B13R0.87 CCNC(=O)CSCCCC(=O)NC 62a_100000183381_100000741757 [0,1,0,0,0,1|2,0,0]=4 2042 B13R0.87 CCNC(=O)CSCCCC(=O)NC 62a_100000741757_100000183381 [0,1,0,0,0,1|2,0,0]=4 2043 B13R0.87 CCNC(=O)CSCCCC(=O)OC 62a_100000183381_100011218270 [0,1,0,0,0,1|1,0,0]=3 2044 B13R0.87 CCNC(=O)CSCCCC(=O)OC 62a_100011218270_100000183381 [0,1,0,0,0,1|1,0,0]=3 2045 B13R0.87 CCOC(=O)/C=C/CSCC(=O)OC 62a_100000747449_100016267167 [0,1,0,0,0,1|0,0,2]=4 2046 B13R0.87 CCOC(=O)/C=C/CSCC(=O)OC 62a_100016267167_100000747449 [0,1,0,0,0,1|0,0,2]=4 2047 B13R0.87 CCOC(=O)CCCCCC(=O)CC 1458a_100000037472_100000210202 [0,1,0,0,0,1|1,0,0]=3 2048 B13R0.87 CCOC(=O)CCCCCC(=O)CC 1458a_100000210414_100000755133 [0,1,0,0,0,1|1,0,0]=3 2049 B13R0.87 CCOC(=O)CCCCCC(=O)CF 1458a_100000037472_100015361967 [0,1,0,0,0,1|2,0,0]=4 2050 B13R0.87 CCOC(=O)CCCCCC(=O)CO 1458a_100000210174_100000755133 [0,1,0,0,0,1|2,0,0]=4 2051 B13R0.87 CCOC(=O)CCCCCC(=O)NC 11a_106832991635_100000037472 [0,1,0,0,0,1|1,0,0]=3 2052 B13R0.87 CCOC(=O)CCCCCC(=O)NC 1626a_100102657272_100000037472 [0,1,0,0,0,1|1,0,0]=3 2053 B13R0.87 CCOC(=O)CCCCCC(=O)NC 240690a_100102657272_100000037472 [0,1,0,0,0,1|1,0,0]=3 2054 B13R0.87 CCOC(=O)CCCCCC(=O)NC 527a_100102657272_100000037472 [0,1,0,0,0,1|1,0,0]=3 2055 B13R0.87 CCOC(=O)CCCCNC(=O)CC 188690a_100000718961_100000210414 [0,1,0,0,0,1|1,0,0]=3 2056 B13R0.87 CCOC(=O)CCCCNC(=O)CO 188690a_100000718961_100000210174 [0,1,0,0,0,1|2,0,0]=4 2057 B13R0.87 CCOC(=O)CCCCSC(C)OC 62a_100000750268_100009879195 [0,1,0,0,0,1|1,0,1]=4 2058 B13R0.87 CCOC(=O)CCCCSC(C)OC 62a_100009879195_100000750268 [0,1,0,0,0,1|1,0,1]=4 2059 B13R0.87 CCOC(=O)CCCNCC(=O)NC 2230a_100000693194_100009991533 [0,1,0,0,0,1|1,0,0]=3 2060 B13R0.87 CCOC(=O)CCCNC[C@@H](C)OC 2230a_100020591295_100009991533 [0,1,0,0,0,1|1,0,1]=4 2061 B13R0.87 CCOC(=O)CCCOCC(=O)CC 34a_100000725409_100009991533 [0,1,0,0,0,1|1,0,0]=3 2062 B13R0.87 CCOC(=O)CCCOCC(=O)CC 7a_100012001163_100000747405 [0,1,0,0,0,1|1,0,0]=3 2063 B13R0.87 CCOC(=O)CCCOCC(=O)NC 34a_100000750040_100009991533 [0,1,0,0,0,1|1,0,0]=3 2064 B13R0.87 CCOC(=O)CCCOCC(=O)NC 7a_100012001163_100000183359 [0,1,0,0,0,1|1,0,0]=3 2065 B13R0.87 CCOC(=O)CCCOCC(=O)OC 7a_100012001163_100000747449 [0,1,0,0,0,1|0,0,0]=2 2066 B13R0.87 CCOC(=O)CCCOCC(C)OC 34a_100000690652_100009991533 [0,1,0,0,0,1|1,0,1]=4 2067 B13R0.87 CCOC(=O)CCCSCC(=O)CC 62a_100000747405_100009991533 [0,1,0,0,0,1|1,0,0]=3 2068 B13R0.87 CCOC(=O)CCCSCC(=O)CC 62a_100009991533_100000747405 [0,1,0,0,0,1|1,0,0]=3 2069 B13R0.87 CCOC(=O)CCCSCC(=O)NC 62a_100000183359_100009991533 [0,1,0,0,0,1|1,0,0]=3 2070 B13R0.87 CCOC(=O)CCCSCC(=O)NC 62a_100009991533_100000183359 [0,1,0,0,0,1|1,0,0]=3 2071 B13R0.87 CCOC(=O)CCCSCC(=O)OC 62a_100000747449_100009991533 [0,1,0,0,0,1|0,0,0]=2 2072 B13R0.87 CCOC(=O)CCCSCC(=O)OC 62a_100009991533_100000747449 [0,1,0,0,0,1|0,0,0]=2 2073 B13R0.87 CCOC(=O)CCNCCC(=O)NC 2230a_100000738227_100011206558 [0,1,0,0,0,1|1,0,0]=3 2074 B13R0.87 CCOC(=O)CCNCCC(=O)NC 34a_100000738227_100000765890 [0,1,0,0,0,1|1,0,0]=3 2075 B13R0.87 CCOC(=O)CCOCCC(=O)NC 34a_100000754576_100000765890 [0,1,0,0,0,1|1,0,0]=3 2076 B13R0.87 CCOC(=O)CCOCCC(C)OC 7a_100000764861_100011206558 [0,1,0,0,0,1|1,0,1]=4 2077 B13R0.87 CCOC(=O)CCSCCC(=O)NC 62a_100000737683_100000765890 [0,1,0,0,0,1|1,0,0]=3 2078 B13R0.87 CCOC(=O)CCSCCC(=O)NC 62a_100000765890_100000737683 [0,1,0,0,0,1|1,0,0]=3 2079 B13R0.87 CCOC(=O)CCSCCC(=O)OC 62a_100000204255_100000765890 [0,1,0,0,0,1|0,0,0]=2 2080 B13R0.87 CCOC(=O)CCSCCC(=O)OC 62a_100000765890_100000204255 [0,1,0,0,0,1|0,0,0]=2 2081 B13R0.87 CCOC(=O)CCSCOC(=O)OC 62a_100000765890_100000139417 [0,1,0,0,0,1|1,0,0]=3 2082 B13R0.87 CCOC(=O)CNCCCC(=O)NC 2230a_100000740002_100000188475 [0,1,0,0,0,1|1,0,0]=3 2083 B13R0.87 CCOC(=O)CNCCCC(=O)NC 34a_100000740002_100000188475 [0,1,0,0,0,1|1,0,0]=3 2084 B13R0.87 CCOC(=O)CNCCNC(=O)CC 34a_100132302217_100000188475 [0,1,0,0,0,1|2,0,0]=4 2085 B13R0.87 CCOC(=O)CNCCNC(=O)NC 34a_100015205895_100000188475 [0,1,0,0,0,1|2,0,0]=4 2086 B13R0.87 CCOC(=O)COCCCC(=O)CC 1458a_100000210414_100009893628 [0,1,0,0,0,1|1,0,0]=3 2087 B13R0.87 CCOC(=O)COCCCC(=O)CO 1458a_100000210174_100009893628 [0,1,0,0,0,1|2,0,0]=4 2088 B13R0.87 CCOC(=O)COCCCC(=O)NN 34a_100000211488_100000188475 [0,1,0,0,0,1|2,0,0]=4 2089 B13R0.87 CCOC(=O)COCCNC(=O)CC 34a_200000158885_100000188475 [0,1,0,0,0,1|2,0,0]=4 2090 B13R0.87 CCOC(=O)COCCNC(=O)CC 7a_200000158885_100000188475 [0,1,0,0,0,1|2,0,0]=4 2091 B13R0.87 CCOC(=O)COCCNC(=O)OC 34a_100000757965_100000188475 [0,1,0,0,0,1|1,0,0]=3 2092 B13R0.87 CCOC(=O)COCCOC(=O)CC 7a_200000031056_100000188475 [0,1,0,0,0,1|2,0,0]=4 2093 B13R0.87 CCOC(=O)COCCOC(=O)OC 34a_100010262106_100000188475 [0,1,0,0,0,1|1,0,0]=3 2094 B13R0.87 CCOC(=O)CSC/C=C/C(=O)OC 62a_100000188475_100000742655 [0,1,0,0,0,1|0,0,2]=4 2095 B13R0.87 CCOC(=O)CSC/C=C/C(=O)OC 62a_100000742655_100000188475 [0,1,0,0,0,1|0,0,2]=4 2096 B13R0.87 CCOC(=O)CSCCCC(=O)NC 62a_100000188475_100000741757 [0,1,0,0,0,1|1,0,0]=3 2097 B13R0.87 CCOC(=O)CSCCCC(=O)NC 62a_100000741757_100000188475 [0,1,0,0,0,1|1,0,0]=3 2098 B13R0.87 CCOC(=O)CSCCCC(=O)OC 62a_100000188475_100011218270 [0,1,0,0,0,1|0,0,0]=2 2099 B13R0.87 CCOC(=O)CSCCCC(=O)OC 62a_100011218270_100000188475 [0,1,0,0,0,1|0,0,0]=2 2100 B13R0.87 CCOC(=O)CSCCOC(=O)NC 62a_100000188475_200011997002 [0,1,0,0,0,1|2,0,0]=4 2101 B13R0.87 CCOC(=O)CSCCOC(=O)NC 62a_200011997002_100000188475 [0,1,0,0,0,1|2,0,0]=4 2102 B13R0.87 CCOC(=O)NCCOCC(=O)NC 34a_100000158857_100000183359 [0,1,0,0,0,1|2,0,0]=4 2103 B13R0.87 CCOC(=O)NCCOCC(=O)OC 34a_100000158857_100000747449 [0,1,0,0,0,1|1,0,0]=3 2104 B13R0.87 CCOC(=O)NCCSCC(=O)CC 62a_100000747405_200011445536 [0,1,0,0,0,1|2,0,0]=4 2105 B13R0.87 CCOC(=O)NCCSCC(=O)NC 62a_100000183359_200011445536 [0,1,0,0,0,1|2,0,0]=4 2106 B13R0.87 CCOC(=O)NCCSCC(=O)OC 62a_100000747449_200011445536 [0,1,0,0,0,1|1,0,0]=3 2107 B13R0.87 CCOC(=O)OCSCCC(=O)NC 62a_100000737683_100000075025 [0,1,0,0,0,1|2,0,0]=4 2108 B13R0.87 CCOC(=O)OCSCCC(=O)OC 62a_100000204255_100000075025 [0,1,0,0,0,1|1,0,0]=3 2109 B13R0.87 CNC(=O)CCCNCC(=O)NCO 2230a_100000740002_100000185155 [0,1,0,0,0,1|2,0,0]=4 2110 B13R0.87 CNC(=O)CCCNCC(=O)NCO 34a_100000740002_100000185155 [0,1,0,0,0,1|2,0,0]=4 2111 B13R0.87 CNC(=O)CCCSCC(=O)NCO 62a_100000185155_100000741757 [0,1,0,0,0,1|2,0,0]=4 2112 B13R0.87 CNC(=O)CCCSCC(=O)NCO 62a_100000741757_100000185155 [0,1,0,0,0,1|2,0,0]=4 2113 B13R0.87 CNNC(=O)CCCCCC(=O)OC 22a_100016993582_100009848860 [0,1,0,0,0,1|1,0,0]=3 2114 B13R0.87 COC(=O)CCCCCC(=O)C=CBr 1458a_100016273825_100009816466 [0,1,0,0,0,1|1,0,1]=4 2115 B13R0.87 COC(=O)CCCCCC(=O)C=CCl 1458a_200016279998_100009816466 [0,1,0,0,0,1|1,0,1]=4 2116 B13R0.87 COC(=O)CCCCCC(=O)C=CI 1458a_100016256311_100009816466 [0,1,0,0,0,1|1,0,1]=4 2117 B13R0.87 COC(=O)CCCCCC(=O)CC#N 1458a_100009848860_100011214920 [0,1,0,0,0,1|1,0,1]=4 2118 B13R0.87 COC(=O)CCCCCC(=O)CC#N 1458a_100051588842_100009816466 [0,1,0,0,0,1|1,0,1]=4 2119 B13R0.87 COC(=O)CCCCCC(=O)CCF 1458a_100009848860_100011217306 [0,1,0,0,0,1|1,0,0]=3 2120 B13R0.87 COC(=O)CCCCCC(=O)CCO 1458a_100009848860_100000211926 [0,1,0,0,0,1|1,0,0]=3 2121 B13R0.87 COC(=O)CCCCCC(=O)CCO 1458a_100011216618_100009816466 [0,1,0,0,0,1|1,0,0]=3 2122 B13R0.87 COC(=O)CCCCCC(=O)CSC 1458a_100000184570_100009816466 [0,1,0,0,0,1|0,1,0]=3 2123 B13R0.87 COC(=O)CCCCNC(=O)CSC 188690a_100000746077_100000184570 [0,1,0,0,0,1|0,1,0]=3 2124 B13R0.87 COC(=O)CCCSCC(=O)NCO 62a_100000185155_100011218270 [0,1,0,0,0,1|1,0,0]=3 2125 B13R0.87 COC(=O)CCCSCC(=O)NCO 62a_100011218270_100000185155 [0,1,0,0,0,1|1,0,0]=3 2126 B13R0.87 COC(=O)NCCOCC(=O)NCO 34a_100000757965_100000185155 [0,1,0,0,0,1|2,0,0]=4 2127 B13R0.87 COC(=O)OCCOCC(=O)NCO 34a_100010262106_100000185155 [0,1,0,0,0,1|2,0,0]=4 2128 B13R0.87 COCC(=O)CCCCCC(=O)OC 1458a_100000210968_100009816466 [0,1,0,0,0,1|0,0,0]=2 2129 B13R0.87 COCC(=O)NCCCCC(=O)OC 188690a_100000746077_100000210968 [0,1,0,0,0,1|0,0,0]=2 2130 B13R0.87 COCC(=O)NN=CCCC(=O)OC 4a_100000216845_100012047195 [0,1,0,0,0,1|1,0,1]=4 2131 B13R0.87 COCC(C)OCCCCC(=O)OC 34a_100000059025_100000765312 [0,1,0,0,0,1|1,0,1]=4 2132 B13R0.87 COCC(C)OCCCCC(=O)OC 7a_100000059025_100000765312 [0,1,0,0,0,1|1,0,1]=4 2133 B13R0.87 COCC(C)SCCCCC(=O)OC 62a_100000204269_100000765312 [0,1,0,0,0,1|1,0,1]=4 2134 B13R0.87 COCC(C)SCCCCC(=O)OC 62a_100000765312_100000204269 [0,1,0,0,0,1|1,0,1]=4 2135 B13R0.87 COCC(N)COCCCC(=O)OC 34a_100000724102_100000742333 [0,1,0,0,0,1|1,0,1]=4 2136 B13R0.87 COCC(O)CNCCCC(=O)OC 2230a_100000756049_100011218270 [0,1,0,0,0,1|0,0,2]=4 2137 B13R0.87 COCC(O)CNCCCC(=O)OC 34a_100000756049_100000742333 [0,1,0,0,0,1|0,0,2]=4 2138 B13R0.87 COCC(O)CSCCCC(=O)OC 62a_100011215053_100011218270 [0,1,0,0,0,1|0,0,2]=4 2139 B13R0.87 COCC(O)CSCCCC(=O)OC 62a_100011218270_100011215053 [0,1,0,0,0,1|0,0,2]=4 2140 B13R0.87 COC[C@@H](C)NCCCCC(=O)OC 2230a_100000764878_100000204269 [0,1,0,0,0,1|1,0,1]=4 2141 B13R0.87 COC[C@@H](C)OCCCCC(=O)OC 34a_100011934205_100000204269 [0,1,0,0,0,1|1,0,1]=4 2142 B13R0.163 CCC(COCCCC(=O)OC)OC 34a_100011934954_100000742333 [0,1,0,0,0,1|1,0,1]=4 2143 B13R0.163 CCC(COCCCC(=O)OC)OC 7a_100011934954_100011218270 [0,1,0,0,0,1|1,0,1]=4 2144 B13R0.163 COC(=O)CCCOCC(OC)OC 34a_100011216393_100000742333 [0,1,0,0,0,1|0,0,2]=4 2145 B13R0.163 COC(=O)CCCSCC(OC)OC 62a_100000751394_100011218270 [0,1,0,0,0,1|0,0,2]=4 2146 B13R0.163 COC(=O)CCCSCC(OC)OC 62a_100011218270_100000751394 [0,1,0,0,0,1|0,0,2]=4 2147 B13R0.163 COC(=O)CCSCCC(OC)OC 62a_100000139399_100000204255 [0,1,0,0,0,1|0,0,2]=4 2148 B13R0.163 COC(=O)CCSCCC(OC)OC 62a_100000204255_100000139399 [0,1,0,0,0,1|0,0,2]=4 2149 B13R0.163 COC(=O)CSCCCC(OC)OC 62a_100000069011_100000747449 [0,1,0,0,0,1|0,0,2]=4 2150 B13R0.163 COC(=O)CSCCCC(OC)OC 62a_100000747449_100000069011 [0,1,0,0,0,1|0,0,2]=4 2151 B13R0.204 C=C(C)C(=O)CCCCCC(=O)OC 1458a_100000185857_100009816466 [0,1,0,0,0,1|1,0,0]=3 2152 B13R0.204 C=C(C)C(=O)NCCCCC(=O)OC 188690a_100000746077_100000185857 [0,1,0,0,0,1|1,0,0]=3 2153 B13R0.204 C=C(C)C(=O)NCCNCC(=O)OC 2230a_100102636416_100000747449 [0,1,0,0,0,1|2,0,0]=4 2154 B13R0.204 C=C(C)C(=O)OCCSCC(=O)OC 62a_100000747449_100009816335 [0,1,0,0,0,1|2,0,0]=4 2155 B13R0.204 C=C(C)C(=O)OCCSCC(=O)OC 62a_100009816335_100000747449 [0,1,0,0,0,1|2,0,0]=4 2156 B13R0.204 CCC(=O)CSCCCC(=O)N(C)C 62a_100000737642_100000747405 [0,1,0,0,0,1|2,0,0]=4 2157 B13R0.204 CCC(=O)CSCCCC(=O)N(C)C 62a_100000747405_100000737642 [0,1,0,0,0,1|2,0,0]=4 2158 B13R0.204 CNC(=O)CCCNCC(=O)C(=O)C 34a_100000740002_100011261029 [0,1,0,0,0,1|2,0,0]=4 2159 B13R0.204 CNC(=O)CCCNCC(=O)C(C)C 2230a_100000740002_100000753385 [0,1,0,0,0,1|2,0,0]=4 2160 B13R0.204 CNC(=O)CCCNCC(=O)C(C)C 34a_100000740002_100000753385 [0,1,0,0,0,1|2,0,0]=4 2161 B13R0.204 CNC(=O)CCCNCC(=O)N(C)C 2230a_100000740002_100000185267 [0,1,0,0,0,1|2,0,0]=4 2162 B13R0.204 CNC(=O)CCCNCC(=O)N(C)C 2230a_100015183351_100000741757 [0,1,0,0,0,1|2,0,0]=4 2163 B13R0.204 CNC(=O)CCCNCC(=O)N(C)C 34a_100000740002_100000692301 [0,1,0,0,0,1|2,0,0]=4 2164 B13R0.204 CNC(=O)CCCSCC(=O)C(=O)C 62a_100000741757_100011261029 [0,1,0,0,0,1|2,0,0]=4 2165 B13R0.204 CNC(=O)CCCSCC(=O)C(=O)C 62a_100011261029_100000741757 [0,1,0,0,0,1|2,0,0]=4 2166 B13R0.204 CNC(=O)CCCSCC(=O)C(C)C 62a_100000741757_100000753385 [0,1,0,0,0,1|2,0,0]=4 2167 B13R0.204 CNC(=O)CCCSCC(=O)C(C)C 62a_100000753385_100000741757 [0,1,0,0,0,1|2,0,0]=4 2168 B13R0.204 CNC(=O)CCCSCC(=O)N(C)C 62a_100000692301_100000741757 [0,1,0,0,0,1|2,0,0]=4 2169 B13R0.204 CNC(=O)CCCSCC(=O)N(C)C 62a_100000741757_100000692301 [0,1,0,0,0,1|2,0,0]=4 2170 B13R0.204 CNC(=O)CCNCCC(=O)N(C)C 2230a_100000738053_100000737683 [0,1,0,0,0,1|2,0,0]=4 2171 B13R0.204 CNC(=O)CCNCCC(=O)N(C)C 2230a_100000738227_100000737620 [0,1,0,0,0,1|2,0,0]=4 2172 B13R0.204 CNC(=O)CCOCCC(=O)N(C)C 34a_200000747469_100012179268 [0,1,0,0,0,1|2,0,0]=4 2173 B13R0.204 CNC(=O)CCSCCC(=O)N(C)C 62a_100000737620_100000737683 [0,1,0,0,0,1|2,0,0]=4 2174 B13R0.204 CNC(=O)CCSCCC(=O)N(C)C 62a_100000737683_100000737620 [0,1,0,0,0,1|2,0,0]=4 2175 B13R0.204 CNC(=O)CNCCCC(=O)N(C)C 2230a_100000693194_100000737642 [0,1,0,0,0,1|2,0,0]=4 2176 B13R0.204 CNC(=O)CNCCCC(=O)N(C)C 2230a_200000744827_100000183359 [0,1,0,0,0,1|2,0,0]=4 2177 B13R0.204 CNC(=O)CSCCCC(=O)N(C)C 62a_100000183359_100000737642 [0,1,0,0,0,1|2,0,0]=4 2178 B13R0.204 CNC(=O)CSCCCC(=O)N(C)C 62a_100000737642_100000183359 [0,1,0,0,0,1|2,0,0]=4 2179 B13R0.204 COC(=O)CCCCCC(=O)C(C)C 1458a_100000210198_100009816466 [0,1,0,0,0,1|1,0,0]=3 2180 B13R0.204 COC(=O)CCCCCC(=O)C(C)C 1458a_100009848860_100000210206 [0,1,0,0,0,1|1,0,0]=3 2181 B13R0.204 COC(=O)CCCCCC(=O)C(C)F 1458a_100000062450_100009816466 [0,1,0,0,0,1|1,0,0]=3 2182 B13R0.204 COC(=O)CCCCCC(=O)C(O)O 1458a_100000233687_100009816466 [0,1,0,0,0,1|2,0,0]=4 2183 B13R0.204 COC(=O)CCCCCC(=O)N(C)C 11a_100102631434_100009848860 [0,1,0,0,0,1|1,0,0]=3 2184 B13R0.204 COC(=O)CCCCCC(=O)N(C)C 1626a_100102631434_100009848860 [0,1,0,0,0,1|1,0,0]=3 2185 B13R0.204 COC(=O)CCCCCC(=O)N(C)C 240690a_100102631434_100009848860 [0,1,0,0,0,1|1,0,0]=3 2186 B13R0.204 COC(=O)CCCCCC(=O)[C@@H](C)O 1458a_100000717761_100009816466 [0,1,0,0,0,1|1,0,0]=3 2187 B13R0.204 COC(=O)CCCCCC(=O)[C@H](C)O 1458a_217856618621_100009816466 [0,1,0,0,0,1|1,0,0]=3 2188 B13R0.204 COC(=O)CCCCNC(=O)C(C)C 188690a_100000746077_100000210198 [0,1,0,0,0,1|1,0,0]=3 2189 B13R0.204 COC(=O)CCCCNC(=O)C(C)F 188690a_100000746077_100000062450 [0,1,0,0,0,1|1,0,0]=3 2190 B13R0.204 COC(=O)CCCCNC(=O)C(O)O 188690a_100000746077_100000233687 [0,1,0,0,0,1|2,0,0]=4 2191 B13R0.204 COC(=O)CCCCNC(=O)[C@@H](C)O 188690a_100000746077_100000717761 [0,1,0,0,0,1|1,0,0]=3 2192 B13R0.204 COC(=O)CCCCNC(=O)[C@H](C)O 188690a_100000746077_217856618621 [0,1,0,0,0,1|1,0,0]=3 2193 B13R0.204 COC(=O)CCCNCC(=O)N(C)C 2230a_100015183351_100011218270 [0,1,0,0,0,1|1,0,0]=3 2194 B13R0.204 COC(=O)CCCSCC(=O)C(=O)C 62a_100011218270_100011261029 [0,1,0,0,0,1|1,0,0]=3 2195 B13R0.204 COC(=O)CCCSCC(=O)C(=O)C 62a_100011261029_100011218270 [0,1,0,0,0,1|1,0,0]=3 2196 B13R0.204 COC(=O)CCCSCC(=O)C(C)C 62a_100000753385_100011218270 [0,1,0,0,0,1|1,0,0]=3 2197 B13R0.204 COC(=O)CCCSCC(=O)C(C)C 62a_100011218270_100000753385 [0,1,0,0,0,1|1,0,0]=3 2198 B13R0.204 COC(=O)CCCSCC(=O)N(C)C 62a_100000692301_100011218270 [0,1,0,0,0,1|1,0,0]=3 2199 B13R0.204 COC(=O)CCCSCC(=O)N(C)C 62a_100011218270_100000692301 [0,1,0,0,0,1|1,0,0]=3 2200 B13R0.204 COC(=O)CCNCCC(=O)N(C)C 2230a_100000738053_100000204255 [0,1,0,0,0,1|1,0,0]=3 2201 B13R0.204 COC(=O)CCOCCC(=O)N(C)C 34a_200000747469_100000742370 [0,1,0,0,0,1|1,0,0]=3 2202 B13R0.204 COC(=O)CCSCCC(=O)N(C)C 62a_100000204255_100000737620 [0,1,0,0,0,1|1,0,0]=3 2203 B13R0.204 COC(=O)CCSCCC(=O)N(C)C 62a_100000737620_100000204255 [0,1,0,0,0,1|1,0,0]=3 2204 B13R0.204 COC(=O)CCSCOC(=O)C(C)C 62a_100000139345_100000204255 [0,1,0,0,0,1|2,0,0]=4 2205 B13R0.204 COC(=O)CCSCOC(=O)C(C)C 62a_100000204255_100000139345 [0,1,0,0,0,1|2,0,0]=4 2206 B13R0.204 COC(=O)CNCCCC(=O)N(C)C 2230a_200000744827_100000747449 [0,1,0,0,0,1|1,0,0]=3 2207 B13R0.204 COC(=O)CNCCNC(=O)C(C)C 2230a_100000752568_100000747449 [0,1,0,0,0,1|2,0,0]=4 2208 B13R0.204 COC(=O)CNCCNC(=O)C(C)C 34a_100000752568_100000747449 [0,1,0,0,0,1|2,0,0]=4 2209 B13R0.204 COC(=O)CSCCCC(=O)N(C)C 62a_100000737642_100000747449 [0,1,0,0,0,1|1,0,0]=3 2210 B13R0.204 COC(=O)CSCCCC(=O)N(C)C 62a_100000747449_100000737642 [0,1,0,0,0,1|1,0,0]=3 2211 B13R0.204 COC(=O)NCCOCC(=O)C(=O)C 34a_100000757965_100011261029 [0,1,0,0,0,1|2,0,0]=4 2212 B13R0.204 COC(=O)NCCOCC(=O)C(C)C 34a_100000757965_100000753385 [0,1,0,0,0,1|2,0,0]=4 2213 B13R0.204 COC(=O)NCCOCC(=O)N(C)C 34a_100000757965_100000692301 [0,1,0,0,0,1|2,0,0]=4 2214 B13R0.204 COC(=O)OCCOCC(=O)C(=O)C 34a_100010262106_100011261029 [0,1,0,0,0,1|2,0,0]=4 2215 B13R0.204 COC(=O)OCCOCC(=O)C(C)C 34a_100010262106_100000753385 [0,1,0,0,0,1|2,0,0]=4 2216 B13R0.204 COC(=O)OCCOCC(=O)N(C)C 34a_100010262106_100000692301 [0,1,0,0,0,1|2,0,0]=4 2217 B13R0.204 COC(=O)OCSCCC(=O)N(C)C 62a_100000737620_100000139417 [0,1,0,0,0,1|2,0,0]=4 2218 B13R0.250 C/C=C(\C)/C(=O)CCCCC(=O)OC 1458a_100020587367_100000204269 [0,1,0,0,0,1|2,0,0]=4 2219 B13R0.250 C=C(CNCCC(=O)NC)C(=O)OC 34a_100000738227_100009813391 [0,1,0,0,0,1|1,0,1]=4 2220 B13R0.250 C=C(COCCC(=O)NC)C(=O)OC 34a_100000754576_100009813391 [0,1,0,0,0,1|1,0,1]=4 2221 B13R0.250 C=C(CSCCC(=O)NC)C(=O)OC 62a_100000737683_100009813391 [0,1,0,0,0,1|1,0,1]=4 2222 B13R0.250 C=C(CSCCC(=O)NC)C(=O)OC 62a_100009813391_100000737683 [0,1,0,0,0,1|1,0,1]=4 2223 B13R0.250 C=C(CSCCC(=O)OC)C(=O)OC 62a_100000204255_100009813391 [0,1,0,0,0,1|0,0,1]=3 2224 B13R0.250 C=C(CSCCC(=O)OC)C(=O)OC 62a_100009813391_100000204255 [0,1,0,0,0,1|0,0,1]=3 2225 B13R0.250 C=C(CSCOC(=O)OC)C(=O)OC 62a_100009813391_100000139417 [0,1,0,0,0,1|1,0,1]=4 2226 B13R0.250 CCC(=O)C(C)NCCCC(=O)NC 2230a_100000740002_100000742827 [0,1,0,0,0,1|2,0,0]=4 2227 B13R0.250 CCC(=O)C(C)SCCCC(=O)NC 62a_100000741757_100000742827 [0,1,0,0,0,1|2,0,0]=4 2228 B13R0.250 CCC(=O)C(C)SCCCC(=O)NC 62a_100000742827_100000741757 [0,1,0,0,0,1|2,0,0]=4 2229 B13R0.250 CCC(=O)C(C)SCCCC(=O)OC 62a_100000742827_100011218270 [0,1,0,0,0,1|1,0,0]=3 2230 B13R0.250 CCC(=O)C(C)SCCCC(=O)OC 62a_100011218270_100000742827 [0,1,0,0,0,1|1,0,0]=3 2231 B13R0.250 CCC(=O)COCCC(C)C(=O)OC 34a_100000725409_100000034942 [0,1,0,0,0,1|1,0,0]=3 2232 B13R0.250 CCC(=O)CSCCC(C)C(=O)OC 62a_100000034942_100000747405 [0,1,0,0,0,1|1,0,0]=3 2233 B13R0.250 CCC(=O)CSCCC(C)C(=O)OC 62a_100000747405_100000034942 [0,1,0,0,0,1|1,0,0]=3 2234 B13R0.250 CCC(=O)NCCNC(C)C(=O)OC 34a_100132302217_100000211248 [0,1,0,0,0,1|2,0,0]=4 2235 B13R0.250 CCC(=O)NCCOC(C)C(=O)OC 34a_200000158885_100000211248 [0,1,0,0,0,1|2,0,0]=4 2236 B13R0.250 CCC(=O)NCCOC(C)C(=O)OC 7a_200000158885_100000211248 [0,1,0,0,0,1|2,0,0]=4 2237 B13R0.250 CCC(=O)OCCOC(C)C(=O)OC 7a_200000031056_100000211248 [0,1,0,0,0,1|2,0,0]=4 2238 B13R0.250 CNC(=O)C(=O)CCCCC(=O)OC 1458a_100011218921_100000204269 [0,1,0,0,0,1|1,0,0]=3 2239 B13R0.250 CNC(=O)C(=O)CCOCC(=O)OC 1458a_100011218921_100000090808 [0,1,0,0,0,1|1,0,1]=4 2240 B13R0.250 CNC(=O)C(C)CNCCC(=O)OC 2230a_100015187722_100000204255 [0,1,0,0,0,1|1,0,0]=3 2241 B13R0.250 CNC(=O)C(C)CNCCC(=O)OC 34a_100015187722_100000742370 [0,1,0,0,0,1|1,0,0]=3 2242 B13R0.250 CNC(=O)C(C)OCCNC(=O)OC 34a_100000757965_100000731044 [0,1,0,0,0,1|2,0,0]=4 2243 B13R0.250 CNC(=O)C(C)OCCOC(=O)OC 34a_100010262106_100000731044 [0,1,0,0,0,1|2,0,0]=4 2244 B13R0.250 CNC(=O)C(C)SCCCC(=O)OC 62a_100000209862_100011218270 [0,1,0,0,0,1|1,0,0]=3 2245 B13R0.250 CNC(=O)C(C)SCCCC(=O)OC 62a_100011218270_100000731044 [0,1,0,0,0,1|1,0,0]=3 2246 B13R0.250 CNC(=O)C(F)OCCNC(=O)OC 34a_100000757965_100009813575 [0,1,0,0,0,1|2,0,0]=4 2247 B13R0.250 CNC(=O)C(F)OCCOC(=O)OC 34a_100010262106_100009813575 [0,1,0,0,0,1|2,0,0]=4 2248 B13R0.250 CNC(=O)C(F)SCCCC(=O)OC 62a_100009813575_100011218270 [0,1,0,0,0,1|1,0,0]=3 2249 B13R0.250 CNC(=O)C(F)SCCCC(=O)OC 62a_100011218270_100009813575 [0,1,0,0,0,1|1,0,0]=3 2250 B13R0.250 CNC(=O)CCCNC(=O)C(=O)OC 11a_100000740002_100000024059 [0,1,0,0,0,1|1,0,1]=4 2251 B13R0.250 CNC(=O)CCCNC(=O)C(=O)OC 240690a_100000740002_100000024059 [0,1,0,0,0,1|1,0,1]=4 2252 B13R0.250 CNC(=O)CCCNC(=O)C(=O)OC 527a_100000740002_100000024059 [0,1,0,0,0,1|1,0,1]=4 2253 B13R0.250 CNC(=O)CCCNC(C)C(=O)NC 2230a_100000740002_100000731044 [0,1,0,0,0,1|2,0,0]=4 2254 B13R0.250 CNC(=O)CCCNC(C)C(=O)NC 34a_100000740002_100000731044 [0,1,0,0,0,1|2,0,0]=4 2255 B13R0.250 CNC(=O)CCCNC(C)C(=O)OC 2230a_100000740002_100000211248 [0,1,0,0,0,1|1,0,0]=3 2256 B13R0.250 CNC(=O)CCCNC(C)C(=O)OC 34a_100000740002_100000211248 [0,1,0,0,0,1|1,0,0]=3 2257 B13R0.250 CNC(=O)CCCNC(F)C(=O)NC 2230a_100000740002_100009813575 [0,1,0,0,0,1|2,0,0]=4 2258 B13R0.250 CNC(=O)CCCNC(F)C(=O)NC 34a_100000740002_100009813575 [0,1,0,0,0,1|2,0,0]=4 2259 B13R0.250 CNC(=O)CCCN[C@H](C)C(=O)NC 2230a_100000684985_100000741757 [0,1,0,0,0,1|2,0,0]=4 2260 B13R0.250 CNC(=O)CCCN[C@H](C)C(=O)NC 34a_100000684985_100000741757 [0,1,0,0,0,1|2,0,0]=4 2261 B13R0.250 CNC(=O)CCCOC(C)C(=O)OC 34a_100011215400_100000741757 [0,1,0,0,0,1|1,0,0]=3 2262 B13R0.250 CNC(=O)CCCSC(C)C(=O)NC 62a_100000209862_100000741757 [0,1,0,0,0,1|2,0,0]=4 2263 B13R0.250 CNC(=O)CCCSC(C)C(=O)NC 62a_100000741757_100000731044 [0,1,0,0,0,1|2,0,0]=4 2264 B13R0.250 CNC(=O)CCCSC(C)C(=O)OC 62a_100000211248_100000741757 [0,1,0,0,0,1|1,0,0]=3 2265 B13R0.250 CNC(=O)CCCSC(C)C(=O)OC 62a_100000741757_100000211248 [0,1,0,0,0,1|1,0,0]=3 2266 B13R0.250 CNC(=O)CCCSC(F)C(=O)NC 62a_100000741757_100009813575 [0,1,0,0,0,1|2,0,0]=4 2267 B13R0.250 CNC(=O)CCCSC(F)C(=O)NC 62a_100009813575_100000741757 [0,1,0,0,0,1|2,0,0]=4 2268 B13R0.250 CNC(=O)CCNCC(=O)C(=O)OC 34a_100000738227_100011610305 [0,1,0,0,0,1|1,0,1]=4 2269 B13R0.250 CNC(=O)CCNCC(C)C(=O)NC 2230a_100015187722_100000737683 [0,1,0,0,0,1|2,0,0]=4 2270 B13R0.250 CNC(=O)CCNCC(C)C(=O)NC 34a_100015187722_100012179268 [0,1,0,0,0,1|2,0,0]=4 2271 B13R0.250 CNC(=O)CCNCC(C)C(=O)OC 34a_100000738227_100000698445 [0,1,0,0,0,1|1,0,0]=3 2272 B13R0.250 CNC(=O)CCOCC(=O)C(=O)OC 34a_100000754576_100011610305 [0,1,0,0,0,1|1,0,1]=4 2273 B13R0.250 CNC(=O)CCOCC(C)C(=O)OC 34a_100000749362_100012179268 [0,1,0,0,0,1|1,0,0]=3 2274 B13R0.250 CNC(=O)CCOCC(C)C(=O)OC 34a_100000754576_100000698445 [0,1,0,0,0,1|1,0,0]=3 2275 B13R0.250 CNC(=O)CCOCC(C)C(=O)OC 7a_100000749362_100000737683 [0,1,0,0,0,1|1,0,0]=3 2276 B13R0.250 CNC(=O)CCOCC(F)C(=O)OC 34a_200009849844_100012179268 [0,1,0,0,0,1|1,0,0]=3 2277 B13R0.250 CNC(=O)CCOC[C@@H](N)C(=O)OC 34a_100000003586_100012179268 [0,1,0,0,0,1|1,0,0]=3 2278 B13R0.250 CNC(=O)CCSCC(=O)C(=O)OC 62a_100000737683_100011610305 [0,1,0,0,0,1|1,0,1]=4 2279 B13R0.250 CNC(=O)CCSCC(=O)C(=O)OC 62a_100011610305_100000737683 [0,1,0,0,0,1|1,0,1]=4 2280 B13R0.250 CNC(=O)CCSCC(C)C(=O)OC 62a_100000698445_100000737683 [0,1,0,0,0,1|1,0,0]=3 2281 B13R0.250 CNC(=O)CCSCC(C)C(=O)OC 62a_100000737683_100000698445 [0,1,0,0,0,1|1,0,0]=3 2282 B13R0.250 CNC(=O)CNCCC(C)C(=O)OC 2230a_100000693194_100000034942 [0,1,0,0,0,1|1,0,0]=3 2283 B13R0.250 CNC(=O)COCCC(C)C(=O)OC 34a_100000750040_100000034942 [0,1,0,0,0,1|1,0,0]=3 2284 B13R0.250 CNC(=O)CSCCC(C)C(=O)OC 62a_100000034942_100000183359 [0,1,0,0,0,1|1,0,0]=3 2285 B13R0.250 CNC(=O)CSCCC(C)C(=O)OC 62a_100000183359_100000034942 [0,1,0,0,0,1|1,0,0]=3 2286 B13R0.250 CNC(=O)NCCNC(C)C(=O)OC 34a_100015205895_100000211248 [0,1,0,0,0,1|2,0,0]=4 2287 B13R0.250 CNC(=O)OCCOC(C)C(=O)OC 34a_100011215400_200011997002 [0,1,0,0,0,1|2,0,0]=4 2288 B13R0.250 CNC(=O)OCCSC(C)C(=O)OC 62a_100000211248_200011997002 [0,1,0,0,0,1|2,0,0]=4 2289 B13R0.250 CNC(=O)OCCSC(C)C(=O)OC 62a_200011997002_100000211248 [0,1,0,0,0,1|2,0,0]=4 2290 B13R0.250 CNC(=O)[C@@H](C)NCCCC(=O)OC 2230a_100000684985_100011218270 [0,1,0,0,0,1|1,0,0]=3 2291 B13R0.250 CNC(=O)[C@@H](C)NCCCC(=O)OC 34a_100000684985_100000742333 [0,1,0,0,0,1|1,0,0]=3 2292 B13R0.250 COC(=O)/C=C/COC(C)C(=O)OC 34a_100011215400_100000742655 [0,1,0,0,0,1|0,0,2]=4 2293 B13R0.250 COC(=O)/C=C/CSC(C)C(=O)OC 62a_100000211248_100000742655 [0,1,0,0,0,1|0,0,2]=4 2294 B13R0.250 COC(=O)/C=C/CSC(C)C(=O)OC 62a_100000742655_100000211248 [0,1,0,0,0,1|0,0,2]=4 2295 B13R0.250 COC(=O)C(C)CCNC[C@@H](C)OC 2230a_100020591295_100000034942 [0,1,0,0,0,1|1,0,1]=4 2296 B13R0.250 COC(=O)C(C)CCOCC(C)OC 34a_100000690652_100000034942 [0,1,0,0,0,1|1,0,1]=4 2297 B13R0.250 COC(=O)C(C)OCCCC(=O)NN 34a_100000211488_100000211248 [0,1,0,0,0,1|2,0,0]=4 2298 B13R0.250 COC(=O)CCCCC(=O)C(C)OC 1458a_100000743197_100000204269 [0,1,0,0,0,1|1,0,1]=4 2299 B13R0.250 COC(=O)CCCOC(C)C(=O)NN 34a_100000725659_100000742333 [0,1,0,0,0,1|2,0,0]=4 2300 B13R0.250 COC(=O)CCCOC(C)C(=O)OC 34a_100011215400_100000742333 [0,1,0,0,0,1|0,0,0]=2 2301 B13R0.250 COC(=O)CCCSC(C)C(=O)OC 62a_100000211248_100011218270 [0,1,0,0,0,1|0,0,0]=2 2302 B13R0.250 COC(=O)CCCSC(C)C(=O)OC 62a_100011218270_100000211248 [0,1,0,0,0,1|0,0,0]=2 2303 B13R0.250 COC(=O)CCOCC(C)C(=O)OC 34a_100000749362_100000742370 [0,1,0,0,0,1|0,0,0]=2 2304 B13R0.250 COC(=O)CCOCC(C)C(=O)OC 7a_100000749362_100000204255 [0,1,0,0,0,1|0,0,0]=2 2305 B13R0.250 COC(=O)CCOCC(F)C(=O)OC 34a_200009849844_100000742370 [0,1,0,0,0,1|0,0,0]=2 2306 B13R0.250 COC(=O)CCOCC(N)C(=O)NN 34a_100016989258_100000742370 [0,1,0,0,0,1|2,0,0]=4 2307 B13R0.250 COC(=O)CCOC[C@@H](N)C(=O)OC 34a_100000003586_100000742370 [0,1,0,0,0,1|0,0,0]=2 2308 B13R0.250 COC(=O)CCSCC(=O)C(=O)OC 62a_100000204255_100011610305 [0,1,0,0,0,1|0,0,1]=3 2309 B13R0.250 COC(=O)CCSCC(=O)C(=O)OC 62a_100011610305_100000204255 [0,1,0,0,0,1|0,0,1]=3 2310 B13R0.250 COC(=O)CCSCC(C)C(=O)OC 62a_100000204255_100000698445 [0,1,0,0,0,1|0,0,0]=2 2311 B13R0.250 COC(=O)CCSCC(C)C(=O)OC 62a_100000698445_100000204255 [0,1,0,0,0,1|0,0,0]=2 2312 B13R0.250 COC(=O)CSCCC(C)C(=O)OC 62a_100000034942_100000747449 [0,1,0,0,0,1|0,0,0]=2 2313 B13R0.250 COC(=O)CSCCC(C)C(=O)OC 62a_100000747449_100000034942 [0,1,0,0,0,1|0,0,0]=2 2314 B13R0.250 COC(=O)NCCOC(C)C(=O)OC 34a_100000757965_100000211248 [0,1,0,0,0,1|1,0,0]=3 2315 B13R0.250 COC(=O)OCCOC(C)C(=O)OC 34a_100010262106_100000211248 [0,1,0,0,0,1|1,0,0]=3 2316 B13R0.250 COC(=O)OCSCC(=O)C(=O)OC 62a_100011610305_100000139417 [0,1,0,0,0,1|1,0,1]=4 2317 B13R0.250 COC(=O)OCSCC(C)C(=O)OC 62a_100000698445_100000139417 [0,1,0,0,0,1|1,0,0]=3 2318 B13R0.429 CCC(=O)CC(=O)CCCC(=O)OC 1458a_100000239890_100000747405 [0,1,0,0,0,1|1,0,0]=3 2319 B13R0.429 CCC(=O)CC(=O)CSCC(=O)OC 1458a_100000191316_100000747405 [0,1,0,0,0,1|1,0,1]=4 2320 B13R0.429 CCC(=O)CC(=O)NCCC(=O)OC 1458a_100000210414_100000230212 [0,1,0,0,0,1|1,0,1]=4 2321 B13R0.429 CCC(=O)CN(C)CCCC(=O)OC 269982a_100000739225_100000747405 [0,1,0,0,0,1|1,0,0]=3 2322 B13R0.429 CCC(=O)COC[C@H](O)CC(=O)OC 34a_100000725409_100000754131 [0,1,0,0,0,1|1,0,0]=3 2323 B13R0.429 CCC(=O)CSCC(=O)CC(=O)OC 62a_100000210525_100000747405 [0,1,0,0,0,1|1,0,1]=4 2324 B13R0.429 CCC(=O)CSCC(=O)CC(=O)OC 62a_100000747405_100000210525 [0,1,0,0,0,1|1,0,1]=4 2325 B13R0.429 CCC(=O)CSC[C@H](O)CC(=O)OC 62a_100000747405_100000754131 [0,1,0,0,0,1|1,0,0]=3 2326 B13R0.429 CCC(=O)CSC[C@H](O)CC(=O)OC 62a_100000754131_100000747405 [0,1,0,0,0,1|1,0,0]=3 2327 B13R0.429 CNC(=O)CC(=O)CCCC(=O)OC 1458a_100000239890_100000183359 [0,1,0,0,0,1|1,0,0]=3 2328 B13R0.429 CNC(=O)CC(=O)CSCC(=O)OC 1458a_100000191316_100000183359 [0,1,0,0,0,1|1,0,1]=4 2329 B13R0.429 CNC(=O)CCCC(=O)CC(=O)OC 1458a_100000211351_100000741757 [0,1,0,0,0,1|1,0,0]=3 2330 B13R0.429 CNC(=O)CCCN(C)CC(=O)NC 2230a_100000189611_100000741757 [0,1,0,0,0,1|2,0,0]=4 2331 B13R0.429 CNC(=O)CCCN(C)CC(=O)OC 2230a_100000198492_100000741757 [0,1,0,0,0,1|1,0,0]=3 2332 B13R0.429 CNC(=O)CCNC(=O)CC(=O)OC 240690a_100000738227_100000211351 [0,1,0,0,0,1|1,0,1]=4 2333 B13R0.429 CNC(=O)CCNC(C)CC(=O)OC 2230a_100000738227_100009817358 [0,1,0,0,0,1|1,0,0]=3 2334 B13R0.429 CNC(=O)CCNC(C)CC(=O)OC 34a_100000738227_100009817358 [0,1,0,0,0,1|1,0,0]=3 2335 B13R0.429 CNC(=O)CCOC(C)CC(=O)OC 34a_100000754576_100009817358 [0,1,0,0,0,1|1,0,0]=3 2336 B13R0.429 CNC(=O)CCSC(C)CC(=O)OC 62a_100000737683_100009817358 [0,1,0,0,0,1|1,0,0]=3 2337 B13R0.429 CNC(=O)CCSC(C)CC(=O)OC 62a_100009817358_100000737683 [0,1,0,0,0,1|1,0,0]=3 2338 B13R0.429 CNC(=O)CN(C)CCCC(=O)OC 2230a_100000189611_100011218270 [0,1,0,0,0,1|1,0,0]=3 2339 B13R0.429 CNC(=O)CN(C)CCCC(=O)OC 269982a_100000739225_100000183359 [0,1,0,0,0,1|1,0,0]=3 2340 B13R0.429 CNC(=O)COC[C@H](O)CC(=O)OC 34a_100000750040_100000754131 [0,1,0,0,0,1|1,0,0]=3 2341 B13R0.429 CNC(=O)CSCC(=O)CC(=O)OC 62a_100000183359_100000210525 [0,1,0,0,0,1|1,0,1]=4 2342 B13R0.429 CNC(=O)CSCC(=O)CC(=O)OC 62a_100000210525_100000183359 [0,1,0,0,0,1|1,0,1]=4 2343 B13R0.429 CNC(=O)CSC[C@H](O)CC(=O)OC 62a_100000183359_100000754131 [0,1,0,0,0,1|1,0,0]=3 2344 B13R0.429 CNC(=O)CSC[C@H](O)CC(=O)OC 62a_100000754131_100000183359 [0,1,0,0,0,1|1,0,0]=3 2345 B13R0.429 CNC(=O)OCCC(=O)CC(=O)OC 1458a_100000211351_200011997002 [0,1,0,0,0,1|1,0,1]=4 2346 B13R0.429 COC(=O)/C=C/CN(C)CC(=O)OC 2230a_100000198492_100000742655 [0,1,0,0,0,1|0,0,2]=4 2347 B13R0.429 COC(=O)CC(C)OCCC(C)OC 7a_100000764861_100009817358 [0,1,0,0,0,1|1,0,1]=4 2348 B13R0.429 COC(=O)CC(C)SCOC(=O)OC 62a_100009817358_100000139417 [0,1,0,0,0,1|1,0,0]=3 2349 B13R0.429 COC(=O)CCCC(=O)CC(=O)OC 1458a_100000211351_100011218270 [0,1,0,0,0,1|0,0,0]=2 2350 B13R0.429 COC(=O)CCCC(=O)CC(=O)OC 1458a_100000239890_100000747449 [0,1,0,0,0,1|0,0,0]=2 2351 B13R0.429 COC(=O)CCCN(C)CC(=O)OC 2230a_100000198492_100011218270 [0,1,0,0,0,1|0,0,0]=2 2352 B13R0.429 COC(=O)CCCN(C)CC(=O)OC 269982a_100000739225_100000747449 [0,1,0,0,0,1|0,0,0]=2 2353 B13R0.429 COC(=O)CCNC(=O)CC(=O)OC 188690a_100000683876_100000211351 [0,1,0,0,0,1|0,0,1]=3 2354 B13R0.429 COC(=O)CCSC(C)CC(=O)OC 62a_100000204255_100009817358 [0,1,0,0,0,1|0,0,0]=2 2355 B13R0.429 COC(=O)CCSC(C)CC(=O)OC 62a_100009817358_100000204255 [0,1,0,0,0,1|0,0,0]=2 2356 B13R0.429 COC(=O)CSCC(=O)CC(=O)OC 1458a_100000191316_100000747449 [0,1,0,0,0,1|0,0,1]=3 2357 B13R0.429 COC(=O)CSCC(=O)CC(=O)OC 62a_100000210525_100000747449 [0,1,0,0,0,1|0,0,1]=3 2358 B13R0.429 COC(=O)CSCC(=O)CC(=O)OC 62a_100000747449_100000210525 [0,1,0,0,0,1|0,0,1]=3 2359 B13R0.429 COC(=O)CSCC(=O)NC(=O)OC 62a_100000747449_100000010850 [0,1,0,0,0,1|1,0,1]=4 2360 B13R0.429 COC(=O)CSC[C@H](O)CC(=O)OC 62a_100000747449_100000754131 [0,1,0,0,0,1|0,0,0]=2 2361 B13R0.429 COC(=O)CSC[C@H](O)CC(=O)OC 62a_100000754131_100000747449 [0,1,0,0,0,1|0,0,0]=2 2362 B13R0.429 COC(=O)C[C@@H](O)COCC(C)OC 34a_100000690652_100000754131 [0,1,0,0,0,1|1,0,1]=4 2363 B13R0.952 CCS(=O)(=O)CCNCCC(=O)OC 2230a_100000751051_100000204255 [0,1,0,0,0,1|2,0,0]=4 2364 B13R0.952 CCS(=O)(=O)CCNCCC(=O)OC 34a_100000751051_100000742370 [0,1,0,0,0,1|2,0,0]=4 2365 B13R0.952 CCS(=O)(=O)CCOCCC(=O)OC 34a_200011216379_100000742370 [0,1,0,0,0,1|2,0,0]=4 2366 B13R0.952 CCS(=O)(=O)CCOCCC(=O)OC 7a_200011216379_100000204255 [0,1,0,0,0,1|2,0,0]=4 2367 B13R0.952 CCS(=O)(=O)CCSCCC(=O)OC 62a_100000204255_100000756660 [0,1,0,0,0,1|2,0,0]=4 2368 B13R0.952 CCS(=O)(=O)CCSCCC(=O)OC 62a_100000756660_100000204255 [0,1,0,0,0,1|2,0,0]=4 2369 B13R0.952 CNS(=O)(=O)CCNCCC(=O)OC 2230a_100000710037_100000204255 [0,1,0,0,0,1|2,0,0]=4 2370 B13R0.952 CNS(=O)(=O)CCNCCC(=O)OC 34a_100000710037_100000742370 [0,1,0,0,0,1|2,0,0]=4 2371 B13R0.952 COC(=O)CCCNCC(C)(C)OC 2230a_100000763424_100011218270 [0,1,0,0,0,1|1,0,1]=4 2372 B13R0.952 COC(=O)CCCSCC(C)(C)OC 62a_100000701081_100011218270 [0,1,0,0,0,1|1,0,1]=4 2373 B13R0.952 COC(=O)CCCSCC(C)(C)OC 62a_100011218270_100000701081 [0,1,0,0,0,1|1,0,1]=4 2374 B13R0.952 COC(=O)CCOCCC(C)(C)OC 7a_100000699976_100000204255 [0,1,0,0,0,1|1,0,1]=4 2375 B13R0.961 CNC(=O)CCN(C)CCC(=O)NC 2230a_100000750875_100000737683 [0,1,0,0,0,1|2,0,0]=4 2376 B13R0.961 CNC(=O)CCN(C)CCC(=O)NC 269982a_100000750875_100000737683 [0,1,0,0,0,1|2,0,0]=4 2377 B13R0.961 CNC(=O)CCN(C)CCC(=O)OC 2230a_100000750875_100000204255 [0,1,0,0,0,1|1,0,0]=3 2378 B13R0.961 CNC(=O)CCN(C)CCC(=O)OC 269982a_100000750875_100000204255 [0,1,0,0,0,1|1,0,0]=3 2379 B13R0.961 CNC(=O)CCN(C)CCC(=O)OC 269982a_100025711912_100000737683 [0,1,0,0,0,1|1,0,0]=3 2380 B13R0.961 CNC(=O)CNC(=O)CCC(=O)OC 11a_100000693194_100000187943 [0,1,0,0,0,1|1,0,1]=4 2381 B13R0.961 CNC(=O)CNC(=O)CCC(=O)OC 240690a_100000693194_100000187943 [0,1,0,0,0,1|1,0,1]=4 2382 B13R0.961 CNC(=O)CNC(=O)CCC(=O)OC 527a_100000693194_100000187943 [0,1,0,0,0,1|1,0,1]=4 2383 B13R0.961 COC(=O)CCN(C)CCC(=O)OC 269982a_100025711912_100000204255 [0,1,0,0,0,1|0,0,0]=2 2384 B13R0.961 COC(=O)CNC(=O)CNC(=O)OC 188690a_100000185156_100000215747 [0,1,0,0,0,1|1,0,1]=4 2385 B13R0.963 COC(=O)CCOCP(=O)(OC)OC 34a_100000101693_100000742370 [0,2,0,0,0,0|2,0,0]=4 2386 B13R0.963 COC(=O)COCCP(=O)(OC)OC 34a_200000043213_100000747449 [0,2,0,0,0,0|2,0,0]=4 2387 B13R0.164 COC(=O)CCCCS(=O)(=O)N(C)C 270084a_100102631434_100000055593 [0,2,0,0,0,0|2,0,0]=4 2388 B13R0.164 COC(=O)CCCCS(=O)(=O)N(C)C 274078a_100102631434_100000055593 [0,2,0,0,0,0|2,0,0]=4 2389 B13R0.226 CCNS(=O)(=O)CCCCC(=O)OC 270084a_100015525214_100000055593 [0,2,0,0,0,0|2,0,0]=4 2390 B13R0.226 CCNS(=O)(=O)CCCCC(=O)OC 274078a_100015525214_100000055593 [0,2,0,0,0,0|2,0,0]=4 2391 B13R0.17 C=COC(=O)CSC(C)CC(=O)OC 62a_100000036128_100009817358 [0,2,0,0,0,0|1,0,1]=4 2392 B13R0.17 C=COC(=O)CSC(C)CC(=O)OC 62a_100009817358_100000036128 [0,2,0,0,0,0|1,0,1]=4 2393 B13R0.17 CC=CC(=O)NCC(O)CC(=O)OC 188690a_100025770978_100000210699 [0,2,0,0,0,0|2,0,0]=4 2394 B13R0.17 CCCC(=O)CSC(C)CC(=O)OC 62a_100000747444_100009817358 [0,2,0,0,0,0|2,0,0]=4 2395 B13R0.17 CCCC(=O)CSC(C)CC(=O)OC 62a_100009817358_100000747444 [0,2,0,0,0,0|2,0,0]=4 2396 B13R0.17 CCCC(=O)NCC(O)CC(=O)OC 188690a_100025770978_100000211992 [0,2,0,0,0,0|2,0,0]=4 2397 B13R0.17 CCNC(=O)CCC(=O)CC(=O)OC 1458a_100000199579_100000747449 [0,2,0,0,0,0|1,0,1]=4 2398 B13R0.17 CCNC(=O)CCN(C)CC(=O)OC 2230a_100000198492_100000737597 [0,2,0,0,0,0|2,0,0]=4 2399 B13R0.17 CCNC(=O)CNC(C)CC(=O)OC 2230a_100016988866_100009817358 [0,2,0,0,0,0|2,0,0]=4 2400 B13R0.17 CCNC(=O)CSC(C)CC(=O)OC 62a_100000183381_100009817358 [0,2,0,0,0,0|2,0,0]=4 2401 B13R0.17 CCNC(=O)CSC(C)CC(=O)OC 62a_100009817358_100000183381 [0,2,0,0,0,0|2,0,0]=4 2402 B13R0.17 CCOC(=O)CCC(=O)CC(=O)CC 1458a_100000183558_100000747405 [0,2,0,0,0,0|1,0,1]=4 2403 B13R0.17 CCOC(=O)CCC(=O)CC(=O)NC 1458a_100000183558_100000183359 [0,2,0,0,0,0|1,0,1]=4 2404 B13R0.17 CCOC(=O)CCC(=O)CC(=O)OC 1458a_100000183558_100000747449 [0,2,0,0,0,0|0,0,1]=3 2405 B13R0.17 CCOC(=O)CCN(C)CC(=O)CC 269982a_100000745921_100000747405 [0,2,0,0,0,0|2,0,0]=4 2406 B13R0.17 CCOC(=O)CCN(C)CC(=O)NC 2230a_100000189611_100011206558 [0,2,0,0,0,0|2,0,0]=4 2407 B13R0.17 CCOC(=O)CCN(C)CC(=O)NC 2230a_100000745921_100000183359 [0,2,0,0,0,0|2,0,0]=4 2408 B13R0.17 CCOC(=O)CCN(C)CC(=O)NC 269982a_100000745921_100000183359 [0,2,0,0,0,0|2,0,0]=4 2409 B13R0.17 CCOC(=O)CCN(C)CC(=O)OC 2230a_100000198492_100011206558 [0,2,0,0,0,0|1,0,0]=3 2410 B13R0.17 CCOC(=O)CCN(C)CC(=O)OC 2230a_100000745921_100000747449 [0,2,0,0,0,0|1,0,0]=3 2411 B13R0.17 CCOC(=O)CCN(C)CC(=O)OC 269982a_100000745921_100000747449 [0,2,0,0,0,0|1,0,0]=3 2412 B13R0.17 CCOC(=O)CNC(=O)CC(=O)OC 188690a_100000741813_100000211351 [0,2,0,0,0,0|1,0,1]=4 2413 B13R0.17 CCOC(=O)CSC(C)CC(=O)OC 62a_100000188475_100009817358 [0,2,0,0,0,0|1,0,0]=3 2414 B13R0.17 CCOC(=O)CSC(C)CC(=O)OC 62a_100009817358_100000188475 [0,2,0,0,0,0|1,0,0]=3 2415 B13R0.17 CCOC(=O)NCC(=O)CC(=O)OC 1458a_100000190774_100000747449 [0,2,0,0,0,0|1,0,1]=4 2416 B13R0.17 COC(=O)CC(C)SCC(=O)NCO 62a_100000185155_100009817358 [0,2,0,0,0,0|2,0,0]=4 2417 B13R0.17 COC(=O)CC(C)SCC(=O)NCO 62a_100009817358_100000185155 [0,2,0,0,0,0|2,0,0]=4 2418 B13R0.17 COC(=O)CC(O)CNC(=O)CSC 188690a_100025770978_100000184570 [0,2,0,0,0,0|1,1,0]=4 2419 B13R0.17 COCC(=O)NCC(O)CC(=O)OC 188690a_100025770978_100000210968 [0,2,0,0,0,0|1,0,0]=3 2420 B13R0.205 CCC(=O)CC(=O)C(C)CC(=O)OC 1458a_100000037256_100000747405 [0,2,0,0,0,0|1,0,1]=4 2421 B13R0.205 CNC(=O)CC(=O)C(C)CC(=O)OC 1458a_100000037256_100000183359 [0,2,0,0,0,0|1,0,1]=4 2422 B13R0.205 CNC(=O)CC(C)N(C)CC(=O)OC 2230a_100015186911_100000747449 [0,2,0,0,0,0|2,0,0]=4 2423 B13R0.205 CNC(=O)CC(C)N(C)CC(=O)OC 269982a_100015186911_100000747449 [0,2,0,0,0,0|2,0,0]=4 2424 B13R0.205 CNC(=O)CN(C)C(C)CC(=O)OC 2230a_100000189611_100009817358 [0,2,0,0,0,0|2,0,0]=4 2425 B13R0.205 COC(=O)CC(=O)C(C)CC(=O)OC 1458a_100000037256_100000747449 [0,2,0,0,0,0|0,0,1]=3 2426 B13R0.205 COC(=O)CC(=O)N(C)CC(=O)OC 240690a_100000198492_100000211351 [0,2,0,0,0,0|1,0,1]=4 2427 B13R0.205 COC(=O)CC(C)N(C)CC(=O)OC 2230a_100000198492_100009817358 [0,2,0,0,0,0|1,0,0]=3 2428 B13R0.249 C=C(C)C(=O)NCC(O)CC(=O)OC 188690a_100025770978_100000185857 [0,2,0,0,0,0|2,0,0]=4 2429 B13R0.249 COC(=O)CC(=O)CCC(=O)N(C)C 1458a_100011200748_100000747449 [0,2,0,0,0,0|1,0,1]=4 2430 B13R0.249 COC(=O)CC(C)NCC(=O)N(C)C 2230a_100015183351_100009817358 [0,2,0,0,0,0|2,0,0]=4 2431 B13R0.249 COC(=O)CC(C)SCC(=O)C(=O)C 62a_100009817358_100011261029 [0,2,0,0,0,0|2,0,0]=4 2432 B13R0.249 COC(=O)CC(C)SCC(=O)C(=O)C 62a_100011261029_100009817358 [0,2,0,0,0,0|2,0,0]=4 2433 B13R0.249 COC(=O)CC(C)SCC(=O)C(C)C 62a_100000753385_100009817358 [0,2,0,0,0,0|2,0,0]=4 2434 B13R0.249 COC(=O)CC(C)SCC(=O)C(C)C 62a_100009817358_100000753385 [0,2,0,0,0,0|2,0,0]=4 2435 B13R0.249 COC(=O)CC(C)SCC(=O)N(C)C 62a_100000692301_100009817358 [0,2,0,0,0,0|2,0,0]=4 2436 B13R0.249 COC(=O)CC(C)SCC(=O)N(C)C 62a_100009817358_100000692301 [0,2,0,0,0,0|2,0,0]=4 2437 B13R0.249 COC(=O)CC(O)CNC(=O)C(C)C 188690a_100025770978_100000210198 [0,2,0,0,0,0|2,0,0]=4 2438 B13R0.249 COC(=O)CC(O)CNC(=O)C(C)F 188690a_100025770978_100000062450 [0,2,0,0,0,0|2,0,0]=4 2439 B13R0.249 COC(=O)CC(O)CNC(=O)[C@@H](C)O 188690a_100025770978_100000717761 [0,2,0,0,0,0|2,0,0]=4 2440 B13R0.249 COC(=O)CC(O)CNC(=O)[C@H](C)O 188690a_100025770978_217856618621 [0,2,0,0,0,0|2,0,0]=4 2441 B13R0.249 COC(=O)CN(C)CCC(=O)N(C)C 2230a_100000198492_100000737620 [0,2,0,0,0,0|2,0,0]=4 2442 B13R0.434 C=C(C)C(=O)CC(=O)CCC(=O)OC 1458a_100000185857_100000691467 [0,2,0,0,0,0|1,0,1]=4 2443 B13R0.434 COC(=O)CCC(=O)CC(=O)C(=O)C 1458a_100000187943_100011261029 [0,2,0,0,0,0|1,0,1]=4 2444 B13R0.434 COC(=O)CCC(=O)CC(=O)C(C)C 1458a_100000187943_100000753385 [0,2,0,0,0,0|1,0,1]=4 2445 B13R0.434 COC(=O)CCC(=O)CC(=O)C(C)C 1458a_100000210198_100000691467 [0,2,0,0,0,0|1,0,1]=4 2446 B13R0.434 COC(=O)CCC(=O)CC(=O)C(C)F 1458a_100000062450_100000691467 [0,2,0,0,0,0|1,0,1]=4 2447 B13R0.434 COC(=O)CCC(=O)CC(=O)N(C)C 1458a_100000187943_100000185267 [0,2,0,0,0,0|1,0,1]=4 2448 B13R0.434 COC(=O)CCC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000691467 [0,2,0,0,0,0|1,0,1]=4 2449 B13R0.434 COC(=O)CCC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000691467 [0,2,0,0,0,0|1,0,1]=4 2450 B13R0.434 COC(=O)CCN(C)CC(=O)C(=O)C 269982a_100025711912_100011261029 [0,2,0,0,0,0|2,0,0]=4 2451 B13R0.434 COC(=O)CCN(C)CC(=O)C(C)C 269982a_100025711912_100000753385 [0,2,0,0,0,0|2,0,0]=4 2452 B13R0.434 COC(=O)CCN(C)CC(=O)N(C)C 2230a_100000185065_100000204255 [0,2,0,0,0,0|2,0,0]=4 2453 B13R0.434 COC(=O)CCN(C)CC(=O)N(C)C 269982a_100025711912_100000185267 [0,2,0,0,0,0|2,0,0]=4 2454 B13R0.436 CCC(=O)CN(CC)CCC(=O)OC 269982a_100000229097_100000747405 [0,2,0,0,0,0|2,0,0]=4 2455 B13R0.436 CCC(=O)CO[C@@H](CC)CC(=O)OC 7a_200015357724_100000747405 [0,2,0,0,0,0|2,0,0]=4 2456 B13R0.436 CCC(=O)CO[C@@H](CCl)CC(=O)OC 7a_100000754131_100000747405 [0,2,0,0,0,0|2,0,0]=4 2457 B13R0.436 CCN(CCC(=O)OC)CC(=O)NC 2230a_100000229097_100000183359 [0,2,0,0,0,0|2,0,0]=4 2458 B13R0.436 CCN(CCC(=O)OC)CC(=O)NC 269982a_100000229097_100000183359 [0,2,0,0,0,0|2,0,0]=4 2459 B13R0.436 CCN(CCC(=O)OC)CC(=O)OC 2230a_100000229097_100000747449 [0,2,0,0,0,0|1,0,0]=3 2460 B13R0.436 CCN(CCC(=O)OC)CC(=O)OC 269982a_100000229097_100000747449 [0,2,0,0,0,0|1,0,0]=3 2461 B13R0.436 CC[C@@H](CC(=O)OC)OCC(=O)NC 7a_200015357724_100000183359 [0,2,0,0,0,0|2,0,0]=4 2462 B13R0.436 CC[C@@H](CC(=O)OC)OCC(=O)OC 7a_200015357724_100000747449 [0,2,0,0,0,0|1,0,0]=3 2463 B13R0.436 CNC(=O)CO[C@@H](CCl)CC(=O)OC 7a_100000754131_100000183359 [0,2,0,0,0,0|2,0,0]=4 2464 B13R0.436 COC(=O)CO[C@@H](CCl)CC(=O)OC 7a_100000754131_100000747449 [0,2,0,0,0,0|1,0,0]=3 2465 B13R0.833 CCC(=O)C(C)C(=O)CCC(=O)OC 1458a_100000187943_100000742827 [0,2,0,0,0,0|1,0,1]=4 2466 B13R0.833 CCC(=O)C(C)N(C)CCC(=O)OC 269982a_100025711912_100000742827 [0,2,0,0,0,0|2,0,0]=4 2467 B13R0.833 CNC(=O)C(C)C(=O)CCC(=O)OC 1458a_100000187943_100000209862 [0,2,0,0,0,0|1,0,1]=4 2468 B13R0.833 CNC(=O)C(C)N(C)CCC(=O)OC 269982a_100025711912_100000209862 [0,2,0,0,0,0|2,0,0]=4 2469 B13R0.833 CNC(=O)C(F)C(=O)CCC(=O)OC 1458a_100000187943_100009813575 [0,2,0,0,0,0|1,0,1]=4 2470 B13R0.833 CNC(=O)C(F)N(C)CCC(=O)OC 269982a_100025711912_100009813575 [0,2,0,0,0,0|2,0,0]=4 2471 B13R0.833 CNC(=O)CCC(=O)C(C)C(=O)OC 1458a_100011309844_100000211248 [0,2,0,0,0,0|1,0,1]=4 2472 B13R0.833 CNC(=O)CCN(C)C(C)C(=O)OC 2230a_100000725243_100000737683 [0,2,0,0,0,0|2,0,0]=4 2473 B13R0.833 CNC(=O)CCN(C)C(C)C(=O)OC 2230a_100000750875_100000211248 [0,2,0,0,0,0|2,0,0]=4 2474 B13R0.833 CNC(=O)CCN(C)C(C)C(=O)OC 269982a_100000725243_100000737683 [0,2,0,0,0,0|2,0,0]=4 2475 B13R0.833 CNC(=O)CCN(C)C(C)C(=O)OC 269982a_100000750875_100000211248 [0,2,0,0,0,0|2,0,0]=4 2476 B13R0.833 CNC(=O)CO[C@H](C)[C@H](N)C(=O)OC 34a_100000004424_100000183359 [0,2,0,0,0,0|2,0,0]=4 2477 B13R0.833 CNC(=O)[C@@H](N)[C@@H](C)OCC(=O)OC 34a_100102634413_100000747449 [0,2,0,0,0,0|2,0,0]=4 2478 B13R0.833 COC(=O)CCC(=O)C(C)C(=O)OC 1458a_100000187943_100000211248 [0,2,0,0,0,0|0,0,1]=3 2479 B13R0.833 COC(=O)CCN(C)C(=O)C(=O)OC 11a_100025711912_100000024059 [0,2,0,0,0,0|1,0,1]=4 2480 B13R0.833 COC(=O)CCN(C)C(=O)C(=O)OC 1626a_100025711912_100000024059 [0,2,0,0,0,0|1,0,1]=4 2481 B13R0.833 COC(=O)CCN(C)C(=O)C(=O)OC 240690a_100025711912_100000024059 [0,2,0,0,0,0|1,0,1]=4 2482 B13R0.833 COC(=O)CCN(C)C(=O)C(=O)OC 527a_100025711912_100000024059 [0,2,0,0,0,0|1,0,1]=4 2483 B13R0.833 COC(=O)CCN(C)C(C)C(=O)OC 2230a_100000725243_100000204255 [0,2,0,0,0,0|1,0,0]=3 2484 B13R0.833 COC(=O)CCN(C)C(C)C(=O)OC 269982a_100000725243_100000204255 [0,2,0,0,0,0|1,0,0]=3 2485 B13R0.833 COC(=O)CCN(C)C(C)C(=O)OC 269982a_100025711912_100000211248 [0,2,0,0,0,0|1,0,0]=3 2486 B13R0.833 COC(=O)CNC(=O)C(C)C(=O)OC 188690a_100000185156_100012027023 [0,2,0,0,0,0|1,0,1]=4 2487 B13R0.833 COC(=O)CO[C@H](C)[C@H](N)C(=O)OC 34a_100000004424_100000747449 [0,2,0,0,0,0|1,0,0]=3 2488 B13R0.833 COC(=O)CSC(C)C(=O)C(=O)OC 62a_100000692041_100000747449 [0,2,0,0,0,0|1,0,1]=4 2489 B13R0.833 COC(=O)CSC(C)C(=O)C(=O)OC 62a_100000747449_100000692041 [0,2,0,0,0,0|1,0,1]=4 2490 B13R0.833 COC(=O)NCC(=O)C(C)C(=O)OC 1458a_100000215747_100000211248 [0,2,0,0,0,0|1,0,1]=4 2491 B13R0.851 CCC(=O)COC(C)(C)CC(=O)OC 7a_100015205050_100000747405 [0,2,0,0,0,0|2,0,0]=4 2492 B13R0.851 CNC(=O)COC(C)(C)CC(=O)OC 7a_100015205050_100000183359 [0,2,0,0,0,0|2,0,0]=4 2493 B13R0.851 COC(=O)COC(C)(C)CC(=O)OC 7a_100015205050_100000747449 [0,2,0,0,0,0|1,0,0]=3 2494 B13R0.908 CCC(=O)C(C)SC(C)CC(=O)OC 62a_100000742827_100009817358 [0,2,0,0,0,0|2,0,0]=4 2495 B13R0.908 CCC(=O)C(C)SC(C)CC(=O)OC 62a_100009817358_100000742827 [0,2,0,0,0,0|2,0,0]=4 2496 B13R0.908 CNC(=O)C(C)SC(C)CC(=O)OC 62a_100000209862_100009817358 [0,2,0,0,0,0|2,0,0]=4 2497 B13R0.908 CNC(=O)C(C)SC(C)CC(=O)OC 62a_100009817358_100000731044 [0,2,0,0,0,0|2,0,0]=4 2498 B13R0.908 CNC(=O)C(F)SC(C)CC(=O)OC 62a_100009813575_100009817358 [0,2,0,0,0,0|2,0,0]=4 2499 B13R0.908 CNC(=O)C(F)SC(C)CC(=O)OC 62a_100009817358_100009813575 [0,2,0,0,0,0|2,0,0]=4 2500 B13R0.908 CNC(=O)[C@@H](C)NC(C)CC(=O)OC 2230a_100000684985_100009817358 [0,2,0,0,0,0|2,0,0]=4 2501 B13R0.908 CNC(=O)[C@@H](C)NC(C)CC(=O)OC 34a_100000684985_100009817358 [0,2,0,0,0,0|2,0,0]=4 2502 B13R0.908 COC(=O)CC(=O)N[C@H](C)C(=O)OC 188690a_100000687819_100000211351 [0,2,0,0,0,0|1,0,1]=4 2503 B13R0.908 COC(=O)CC(C)OC(C)C(=O)OC 34a_100011215400_100009817358 [0,2,0,0,0,0|1,0,0]=3 2504 B13R0.908 COC(=O)CC(C)SC(C)C(=O)OC 62a_100000211248_100009817358 [0,2,0,0,0,0|1,0,0]=3 2505 B13R0.908 COC(=O)CC(C)SC(C)C(=O)OC 62a_100009817358_100000211248 [0,2,0,0,0,0|1,0,0]=3 2506 B13R0.1521 C=COC(=O)CC(=O)CCC(=O)OC 1458a_100000187943_100000036128 [0,2,0,0,0,0|0,0,2]=4 2507 B13R0.1521 C=COC(=O)CN(C)CCC(=O)OC 269982a_100025711912_100000036128 [0,2,0,0,0,0|1,0,1]=4 2508 B13R0.1521 CC#CC(=O)CC(=O)CCC(=O)OC 1458a_100000763181_100000691467 [0,2,0,0,0,0|1,0,1]=4 2509 B13R0.1521 CC=CC(=O)CC(=O)CCC(=O)OC 1458a_100000210699_100000691467 [0,2,0,0,0,0|1,0,1]=4 2510 B13R0.1521 CCCC(=O)CC(=O)CCC(=O)OC 1458a_100000187943_100000747444 [0,2,0,0,0,0|1,0,1]=4 2511 B13R0.1521 CCCC(=O)CC(=O)CCC(=O)OC 1458a_100000211992_100000691467 [0,2,0,0,0,0|1,0,1]=4 2512 B13R0.1521 CCCC(=O)CN(C)CCC(=O)OC 269982a_100025711912_100000747444 [0,2,0,0,0,0|2,0,0]=4 2513 B13R0.1521 CCNC(=O)CC(=O)CCC(=O)OC 1458a_100000187943_100000183381 [0,2,0,0,0,0|1,0,1]=4 2514 B13R0.1521 CCNC(=O)CN(C)CCC(=O)OC 2230a_100000741943_100000204255 [0,2,0,0,0,0|2,0,0]=4 2515 B13R0.1521 CCNC(=O)CN(C)CCC(=O)OC 269982a_100000741943_100000204255 [0,2,0,0,0,0|2,0,0]=4 2516 B13R0.1521 CCNC(=O)CN(C)CCC(=O)OC 269982a_100025711912_100000183381 [0,2,0,0,0,0|2,0,0]=4 2517 B13R0.1521 CCOC(=O)CC(=O)CCC(=O)NC 1458a_100011309844_100000188475 [0,2,0,0,0,0|1,0,1]=4 2518 B13R0.1521 CCOC(=O)CC(=O)CCC(=O)OC 1458a_100000187943_100000188475 [0,2,0,0,0,0|0,0,1]=3 2519 B13R0.1521 CCOC(=O)CC(=O)CNC(=O)OC 1458a_100000215747_100000188475 [0,2,0,0,0,0|1,0,1]=4 2520 B13R0.1521 CCOC(=O)CC(C)NCC(=O)NC 2230a_100000693194_100009817359 [0,2,0,0,0,0|2,0,0]=4 2521 B13R0.1521 CCOC(=O)CC(C)SCC(=O)CC 62a_100000747405_100009817359 [0,2,0,0,0,0|2,0,0]=4 2522 B13R0.1521 CCOC(=O)CC(C)SCC(=O)CC 62a_100009817359_100000747405 [0,2,0,0,0,0|2,0,0]=4 2523 B13R0.1521 CCOC(=O)CC(C)SCC(=O)NC 62a_100000183359_100009817359 [0,2,0,0,0,0|2,0,0]=4 2524 B13R0.1521 CCOC(=O)CC(C)SCC(=O)NC 62a_100009817359_100000183359 [0,2,0,0,0,0|2,0,0]=4 2525 B13R0.1521 CCOC(=O)CC(C)SCC(=O)OC 62a_100000747449_100009817359 [0,2,0,0,0,0|1,0,0]=3 2526 B13R0.1521 CCOC(=O)CC(C)SCC(=O)OC 62a_100009817359_100000747449 [0,2,0,0,0,0|1,0,0]=3 2527 B13R0.1521 CCOC(=O)CN(C)CCC(=O)NC 2230a_100000220588_100000737683 [0,2,0,0,0,0|2,0,0]=4 2528 B13R0.1521 CCOC(=O)CN(C)CCC(=O)NC 2230a_100000750875_100000188475 [0,2,0,0,0,0|2,0,0]=4 2529 B13R0.1521 CCOC(=O)CN(C)CCC(=O)NC 269982a_100000750875_100000188475 [0,2,0,0,0,0|2,0,0]=4 2530 B13R0.1521 CCOC(=O)CN(C)CCC(=O)OC 2230a_100000220588_100000204255 [0,2,0,0,0,0|1,0,0]=3 2531 B13R0.1521 CCOC(=O)CN(C)CCC(=O)OC 269982a_100025711912_100000188475 [0,2,0,0,0,0|1,0,0]=3 2532 B13R0.1521 CCOC(=O)C[C@@H](C)OCC(=O)CC 7a_100009816390_100000747405 [0,2,0,0,0,0|2,0,0]=4 2533 B13R0.1521 CCOC(=O)C[C@@H](C)OCC(=O)NC 7a_100009816390_100000183359 [0,2,0,0,0,0|2,0,0]=4 2534 B13R0.1521 CCOC(=O)C[C@@H](C)OCC(=O)OC 7a_100009816390_100000747449 [0,2,0,0,0,0|1,0,0]=3 2535 B13R0.1521 CCOC(=O)OC(C)SCC(=O)OC 62a_100000036008_100000747449 [0,2,0,0,0,0|2,0,0]=4 2536 B13R0.1521 CCOC(=O)OC(C)SCC(=O)OC 62a_100000747449_100000036008 [0,2,0,0,0,0|2,0,0]=4 2537 B13R0.1521 COC(=O)CCC(=O)CC(=O)CCO 1458a_100011216618_100000691467 [0,2,0,0,0,0|1,0,1]=4 2538 B13R0.1521 COC(=O)CCC(=O)CC(=O)CSC 1458a_100000184570_100000691467 [0,2,0,0,0,0|0,1,1]=4 2539 B13R0.1521 COC(=O)CCC(=O)CC(=O)NCO 1458a_100000187943_100000185155 [0,2,0,0,0,0|1,0,1]=4 2540 B13R0.1521 COC(=O)CCN(C)CC(=O)NCO 269982a_100025711912_100000185155 [0,2,0,0,0,0|2,0,0]=4 2541 B13R0.1521 COCC(=O)CC(=O)CCC(=O)OC 1458a_100000210968_100000691467 [0,2,0,0,0,0|0,0,1]=3 2542 B13R0.1521 COCC(=O)CC(=O)NCC(=O)OC 1458a_100000210968_100000182966 [0,2,0,0,0,0|1,0,1]=4 2543 B13R0.100 COC(=O)C(C)COCC(=O)C(=O)C 34a_100000749362_100011261029 [0,2,0,0,0,0|2,0,0]=4 2544 B13R0.100 COC(=O)C(C)COCC(=O)C(C)C 34a_100000749362_100000753385 [0,2,0,0,0,0|2,0,0]=4 2545 B13R0.100 COC(=O)C(C)COCC(=O)C(C)C 7a_100000749362_100000753385 [0,2,0,0,0,0|2,0,0]=4 2546 B13R0.100 COC(=O)C(C)COCC(=O)N(C)C 34a_100000749362_100000692301 [0,2,0,0,0,0|2,0,0]=4 2547 B13R0.100 COC(=O)C(C)COCC(=O)N(C)C 7a_100000749362_100000692301 [0,2,0,0,0,0|2,0,0]=4 2548 B13R0.100 COC(=O)C(C)CSCC(=O)C(=O)C 62a_100000698445_100011261029 [0,2,0,0,0,0|2,0,0]=4 2549 B13R0.100 COC(=O)C(C)CSCC(=O)C(=O)C 62a_100011261029_100000698445 [0,2,0,0,0,0|2,0,0]=4 2550 B13R0.100 COC(=O)C(C)CSCC(=O)C(C)C 62a_100000698445_100000753385 [0,2,0,0,0,0|2,0,0]=4 2551 B13R0.100 COC(=O)C(C)CSCC(=O)C(C)C 62a_100000753385_100000698445 [0,2,0,0,0,0|2,0,0]=4 2552 B13R0.100 COC(=O)C(C)CSCC(=O)N(C)C 62a_100000692301_100000698445 [0,2,0,0,0,0|2,0,0]=4 2553 B13R0.100 COC(=O)C(C)CSCC(=O)N(C)C 62a_100000698445_100000692301 [0,2,0,0,0,0|2,0,0]=4 2554 B13R0.100 COC(=O)C(C)NCCC(=O)N(C)C 2230a_100000738053_100000211248 [0,2,0,0,0,0|2,0,0]=4 2555 B13R0.100 COC(=O)C(C)OCCC(=O)N(C)C 34a_200000747469_100000211248 [0,2,0,0,0,0|2,0,0]=4 2556 B13R0.100 COC(=O)C(C)SCCC(=O)N(C)C 62a_100000211248_100000737620 [0,2,0,0,0,0|2,0,0]=4 2557 B13R0.100 COC(=O)C(C)SCCC(=O)N(C)C 62a_100000737620_100000211248 [0,2,0,0,0,0|2,0,0]=4 2558 B13R0.100 COC(=O)C(F)COCC(=O)C(=O)C 34a_200009849844_100011261029 [0,2,0,0,0,0|2,0,0]=4 2559 B13R0.100 COC(=O)C(F)COCC(=O)C(C)C 34a_200009849844_100000753385 [0,2,0,0,0,0|2,0,0]=4 2560 B13R0.100 COC(=O)C(F)COCC(=O)N(C)C 34a_200009849844_100000692301 [0,2,0,0,0,0|2,0,0]=4 2561 B13R0.100 COC(=O)N(C)CCCC(=O)C(C)C 1458a_100000752137_100000210206 [0,2,0,0,0,0|2,0,0]=4 2562 B13R0.100 COC(=O)N(C)CCCC(=O)N(C)C 11a_100102631434_100000752137 [0,2,0,0,0,0|2,0,0]=4 2563 B13R0.100 COC(=O)N(C)CCCC(=O)N(C)C 1626a_100102631434_100000752137 [0,2,0,0,0,0|2,0,0]=4 2564 B13R0.100 COC(=O)N(C)CCCC(=O)N(C)C 240690a_100102631434_100000752137 [0,2,0,0,0,0|2,0,0]=4 2565 B13R0.100 COC(=O)N(C)CCCC(=O)N(C)C 527a_100102631434_100000752137 [0,2,0,0,0,0|2,0,0]=4 2566 B13R0.100 COC(=O)[C@H](N)COCC(=O)C(=O)C 34a_100000003586_100011261029 [0,2,0,0,0,0|2,0,0]=4 2567 B13R0.100 COC(=O)[C@H](N)COCC(=O)C(C)C 34a_100000003586_100000753385 [0,2,0,0,0,0|2,0,0]=4 2568 B13R0.100 COC(=O)[C@H](N)COCC(=O)N(C)C 34a_100000003586_100000692301 [0,2,0,0,0,0|2,0,0]=4 2569 B13R0.110 C=C(COC(C)C(=O)OC)C(=O)OC 34a_100011215400_100009813391 [0,2,0,0,0,0|1,0,1]=4 2570 B13R0.110 C=C(CSC(C)C(=O)OC)C(=O)OC 62a_100000211248_100009813391 [0,2,0,0,0,0|1,0,1]=4 2571 B13R0.110 C=C(CSC(C)C(=O)OC)C(=O)OC 62a_100009813391_100000211248 [0,2,0,0,0,0|1,0,1]=4 2572 B13R0.110 CCC(=O)C(C)OCC(C)C(=O)OC 7a_100000749362_100000742827 [0,2,0,0,0,0|2,0,0]=4 2573 B13R0.110 CCC(=O)C(C)SCC(C)C(=O)OC 62a_100000698445_100000742827 [0,2,0,0,0,0|2,0,0]=4 2574 B13R0.110 CCC(=O)C(C)SCC(C)C(=O)OC 62a_100000742827_100000698445 [0,2,0,0,0,0|2,0,0]=4 2575 B13R0.110 CNC(=O)C(=O)CCC(C)C(=O)OC 1458a_100011218921_100000034942 [0,2,0,0,0,0|1,0,1]=4 2576 B13R0.110 CNC(=O)C(C)CNC(C)C(=O)OC 2230a_100015187722_100000211248 [0,2,0,0,0,0|2,0,0]=4 2577 B13R0.110 CNC(=O)C(C)CNC(C)C(=O)OC 34a_100015187722_100000211248 [0,2,0,0,0,0|2,0,0]=4 2578 B13R0.110 CNC(=O)C(C)OCC(C)C(=O)OC 34a_100000749362_100000731044 [0,2,0,0,0,0|2,0,0]=4 2579 B13R0.110 CNC(=O)C(C)OCC(C)C(=O)OC 7a_100000749362_100000209862 [0,2,0,0,0,0|2,0,0]=4 2580 B13R0.110 CNC(=O)C(C)OCC(F)C(=O)OC 34a_200009849844_100000731044 [0,2,0,0,0,0|2,0,0]=4 2581 B13R0.110 CNC(=O)C(C)OC[C@@H](N)C(=O)OC 34a_100000003586_100000731044 [0,2,0,0,0,0|2,0,0]=4 2582 B13R0.110 CNC(=O)C(C)SCC(C)C(=O)OC 62a_100000209862_100000698445 [0,2,0,0,0,0|2,0,0]=4 2583 B13R0.110 CNC(=O)C(C)SCC(C)C(=O)OC 62a_100000698445_100000731044 [0,2,0,0,0,0|2,0,0]=4 2584 B13R0.110 CNC(=O)C(F)OCC(C)C(=O)OC 34a_100000749362_100009813575 [0,2,0,0,0,0|2,0,0]=4 2585 B13R0.110 CNC(=O)C(F)OCC(C)C(=O)OC 7a_100000749362_100009813575 [0,2,0,0,0,0|2,0,0]=4 2586 B13R0.110 CNC(=O)C(F)OCC(F)C(=O)OC 34a_200009849844_100009813575 [0,2,0,0,0,0|2,0,0]=4 2587 B13R0.110 CNC(=O)C(F)OC[C@@H](N)C(=O)OC 34a_100000003586_100009813575 [0,2,0,0,0,0|2,0,0]=4 2588 B13R0.110 CNC(=O)C(F)SCC(C)C(=O)OC 62a_100000698445_100009813575 [0,2,0,0,0,0|2,0,0]=4 2589 B13R0.110 CNC(=O)C(F)SCC(C)C(=O)OC 62a_100009813575_100000698445 [0,2,0,0,0,0|2,0,0]=4 2590 B13R0.110 CNC(=O)[C@@H](C)NCC(C)C(=O)OC 34a_100000684985_100000698445 [0,2,0,0,0,0|2,0,0]=4 2591 B13R0.110 COC(=O)C(=O)COC(C)C(=O)OC 34a_100011215400_100011610305 [0,2,0,0,0,0|1,0,1]=4 2592 B13R0.110 COC(=O)C(=O)CSC(C)C(=O)OC 62a_100000211248_100011610305 [0,2,0,0,0,0|1,0,1]=4 2593 B13R0.110 COC(=O)C(=O)CSC(C)C(=O)OC 62a_100011610305_100000211248 [0,2,0,0,0,0|1,0,1]=4 2594 B13R0.110 COC(=O)C(C)COC(C)C(=O)OC 34a_100000749362_100000211248 [0,2,0,0,0,0|1,0,0]=3 2595 B13R0.110 COC(=O)C(C)COC(C)C(=O)OC 34a_100011215400_100000698445 [0,2,0,0,0,0|1,0,0]=3 2596 B13R0.110 COC(=O)C(C)COC(C)C(=O)OC 7a_100000749362_100000211248 [0,2,0,0,0,0|1,0,0]=3 2597 B13R0.110 COC(=O)C(C)CSC(C)C(=O)OC 62a_100000211248_100000698445 [0,2,0,0,0,0|1,0,0]=3 2598 B13R0.110 COC(=O)C(C)CSC(C)C(=O)OC 62a_100000698445_100000211248 [0,2,0,0,0,0|1,0,0]=3 2599 B13R0.110 COC(=O)C(C)OC[C@@H](N)C(=O)OC 34a_100000003586_100000211248 [0,2,0,0,0,0|1,0,0]=3 2600 B13R0.110 COC(=O)C(F)COC(C)C(=O)OC 34a_200009849844_100000211248 [0,2,0,0,0,0|1,0,0]=3 2601 B13R0.248 COC(=O)CCCC(=O)C(=O)N(C)C 1458a_100011218876_100011218270 [0,2,0,0,0,0|1,0,1]=4 2602 B13R0.248 COC(=O)CCCN(C)C(=O)C(C)C 240690a_100000739225_100000210198 [0,2,0,0,0,0|2,0,0]=4 2603 B13R0.248 COC(=O)CCCN(C)C(=O)C(C)C 527a_100000739225_100000210198 [0,2,0,0,0,0|2,0,0]=4 2604 B13R0.248 COC(=O)CCCN(C)C(=O)C(C)F 240690a_100000739225_100000062450 [0,2,0,0,0,0|2,0,0]=4 2605 B13R0.248 COC(=O)CCCN(C)C(=O)C(C)F 527a_100000739225_100000062450 [0,2,0,0,0,0|2,0,0]=4 2606 B13R0.248 COC(=O)CCCN(C)C(=O)[C@@H](C)O 240690a_100000739225_100000717761 [0,2,0,0,0,0|2,0,0]=4 2607 B13R0.248 COC(=O)CCCN(C)C(=O)[C@H](C)O 240690a_100000739225_217856618621 [0,2,0,0,0,0|2,0,0]=4 2608 B13R0.248 COC(=O)CCN[C@@H](C)C(=O)N(C)C 2230a_100000697320_100000204255 [0,2,0,0,0,0|2,0,0]=4 2609 B13R0.248 COC(=O)CCN[C@@H](C)C(=O)N(C)C 34a_100000697320_100000742370 [0,2,0,0,0,0|2,0,0]=4 2610 B13R0.248 COC(=O)CCSC(C)C(=O)C(C)C 62a_100000204255_100009893295 [0,2,0,0,0,0|2,0,0]=4 2611 B13R0.248 COC(=O)CCSC(C)C(=O)C(C)C 62a_100009893295_100000204255 [0,2,0,0,0,0|2,0,0]=4 2612 B13R0.248 COC(=O)CCSC(C)C(=O)N(C)C 62a_100000204255_100000209910 [0,2,0,0,0,0|2,0,0]=4 2613 B13R0.248 COC(=O)CCSC(C)C(=O)N(C)C 62a_100000209910_100000204255 [0,2,0,0,0,0|2,0,0]=4 2614 B13R0.267 C=C(CSCC(=O)OC)C(=O)OCC 62a_100000747449_100000755967 [0,2,0,0,0,0|1,0,1]=4 2615 B13R0.267 C=C(CSCC(=O)OC)C(=O)OCC 62a_100000755967_100000747449 [0,2,0,0,0,0|1,0,1]=4 2616 B13R0.267 CC=CC(=O)N(C)CCCC(=O)OC 240690a_100000739225_100000210699 [0,2,0,0,0,0|2,0,0]=4 2617 B13R0.267 CCCC(=O)N(C)CCCC(=O)OC 240690a_100000739225_100000211992 [0,2,0,0,0,0|2,0,0]=4 2618 B13R0.267 CCCC(=O)N(C)CCCC(=O)OC 527a_100000739225_100000211992 [0,2,0,0,0,0|2,0,0]=4 2619 B13R0.267 CCNC(=O)C(=O)CCCC(=O)OC 1458a_200011297158_100011218270 [0,2,0,0,0,0|1,0,1]=4 2620 B13R0.267 CCNC(=O)C(C)NCCC(=O)OC 2230a_100000736553_100000204255 [0,2,0,0,0,0|2,0,0]=4 2621 B13R0.267 CCNC(=O)C(C)NCCC(=O)OC 34a_100000736553_100000742370 [0,2,0,0,0,0|2,0,0]=4 2622 B13R0.267 CCNC(=O)C(C)SCCC(=O)OC 62a_100000204255_100000230173 [0,2,0,0,0,0|2,0,0]=4 2623 B13R0.267 CCNC(=O)C(C)SCCC(=O)OC 62a_100000230173_100000204255 [0,2,0,0,0,0|2,0,0]=4 2624 B13R0.267 CCNC(=O)N(C)CCCC(=O)OC 273464a_100015525214_100000739225 [0,2,0,0,0,0|2,0,0]=4 2625 B13R0.267 CCOC(=O)C(=O)CSCC(=O)OC 62a_100000211299_100000747449 [0,2,0,0,0,0|1,0,1]=4 2626 B13R0.267 CCOC(=O)C(=O)CSCC(=O)OC 62a_100000747449_100000211299 [0,2,0,0,0,0|1,0,1]=4 2627 B13R0.267 CCOC(=O)C(C)NCCC(=O)NC 2230a_100000738227_100011215307 [0,2,0,0,0,0|2,0,0]=4 2628 B13R0.267 CCOC(=O)C(C)NCCC(=O)NC 34a_100000738227_100011216346 [0,2,0,0,0,0|2,0,0]=4 2629 B13R0.267 CCOC(=O)C(C)OCCC(=O)NC 34a_100000754576_100011216346 [0,2,0,0,0,0|2,0,0]=4 2630 B13R0.267 CCOC(=O)C(C)SCCC(=O)NC 62a_100000737683_100011216346 [0,2,0,0,0,0|2,0,0]=4 2631 B13R0.267 CCOC(=O)C(C)SCCC(=O)NC 62a_100011216346_100000737683 [0,2,0,0,0,0|2,0,0]=4 2632 B13R0.267 CCOC(=O)C(C)SCCC(=O)OC 62a_100000204255_100011216346 [0,2,0,0,0,0|1,0,0]=3 2633 B13R0.267 CCOC(=O)C(C)SCCC(=O)OC 62a_100011216346_100000204255 [0,2,0,0,0,0|1,0,0]=3 2634 B13R0.267 CCOC(=O)C(C)SCOC(=O)OC 62a_100011216346_100000139417 [0,2,0,0,0,0|2,0,0]=4 2635 B13R0.267 CCOC(=O)C(F)NCCC(=O)NC 2230a_100000738227_100000760018 [0,2,0,0,0,0|2,0,0]=4 2636 B13R0.267 CCOC(=O)C(F)NCCC(=O)NC 34a_100000738227_100000760018 [0,2,0,0,0,0|2,0,0]=4 2637 B13R0.267 CCOC(=O)C(F)OCCC(=O)NC 34a_100000754576_100000760018 [0,2,0,0,0,0|2,0,0]=4 2638 B13R0.267 CCOC(=O)C(F)SCCC(=O)NC 62a_100000737683_100000760018 [0,2,0,0,0,0|2,0,0]=4 2639 B13R0.267 CCOC(=O)C(F)SCCC(=O)NC 62a_100000760018_100000737683 [0,2,0,0,0,0|2,0,0]=4 2640 B13R0.267 CCOC(=O)C(F)SCCC(=O)OC 62a_100000204255_100000760018 [0,2,0,0,0,0|1,0,0]=3 2641 B13R0.267 CCOC(=O)C(F)SCCC(=O)OC 62a_100000760018_100000204255 [0,2,0,0,0,0|1,0,0]=3 2642 B13R0.267 CCOC(=O)C(F)SCOC(=O)OC 62a_100000760018_100000139417 [0,2,0,0,0,0|2,0,0]=4 2643 B13R0.267 CCOC(=O)[C@H](C)OCCC(=O)NC 7a_100000751109_100000737683 [0,2,0,0,0,0|2,0,0]=4 2644 B13R0.267 CCOC(=O)[C@H](C)OCCC(=O)OC 7a_100000751109_100000204255 [0,2,0,0,0,0|1,0,0]=3 2645 B13R0.267 CCSC(=O)[C@H](C)NCCC(=O)OC 2230a_100103168634_100000204255 [0,2,0,0,0,0|1,1,0]=4 2646 B13R0.267 CO/N=C(\C)/C(=O)CCCC(=O)OC 1458a_100160996864_100011218270 [0,2,0,0,0,0|1,0,1]=4 2647 B13R0.267 COC(=O)CCCN(C)C(=O)CCO 240690a_100000739225_100011216618 [0,2,0,0,0,0|2,0,0]=4 2648 B13R0.267 COC(=O)CCCN(C)C(=O)CSC 240690a_100000739225_100000184570 [0,2,0,0,0,0|1,1,0]=4 2649 B13R0.267 COC(=O)CCCN(C)C(=O)CSC 527a_100000739225_100000184570 [0,2,0,0,0,0|1,1,0]=4 2650 B13R0.267 COCC(=O)N(C)CCCC(=O)OC 240690a_100000739225_100000210968 [0,2,0,0,0,0|1,0,0]=3 2651 B13R0.267 COCC(=O)N(C)CCCC(=O)OC 527a_100000739225_100000210968 [0,2,0,0,0,0|1,0,0]=3 2652 B13R0.369 C=C(CSCC(=O)OCC)C(=O)OC 62a_100000188475_100009813391 [0,2,0,0,0,0|1,0,1]=4 2653 B13R0.369 C=C(CSCC(=O)OCC)C(=O)OC 62a_100009813391_100000188475 [0,2,0,0,0,0|1,0,1]=4 2654 B13R0.369 C=COC(=O)COCC(C)C(=O)OC 34a_100000749362_100000036128 [0,2,0,0,0,0|1,0,1]=4 2655 B13R0.369 C=COC(=O)COCC(F)C(=O)OC 34a_200009849844_100000036128 [0,2,0,0,0,0|1,0,1]=4 2656 B13R0.369 C=COC(=O)COC[C@@H](N)C(=O)OC 34a_100000003586_100000036128 [0,2,0,0,0,0|1,0,1]=4 2657 B13R0.369 C=COC(=O)CSCC(C)C(=O)OC 62a_100000036128_100000698445 [0,2,0,0,0,0|1,0,1]=4 2658 B13R0.369 C=COC(=O)CSCC(C)C(=O)OC 62a_100000698445_100000036128 [0,2,0,0,0,0|1,0,1]=4 2659 B13R0.369 CCCC(=O)CCCN(C)C(=O)OC 1458a_100000752137_100000210303 [0,2,0,0,0,0|2,0,0]=4 2660 B13R0.369 CCCC(=O)COCC(C)C(=O)OC 7a_100000749362_100000747444 [0,2,0,0,0,0|2,0,0]=4 2661 B13R0.369 CCCC(=O)CSCC(C)C(=O)OC 62a_100000698445_100000747444 [0,2,0,0,0,0|2,0,0]=4 2662 B13R0.369 CCCC(=O)CSCC(C)C(=O)OC 62a_100000747444_100000698445 [0,2,0,0,0,0|2,0,0]=4 2663 B13R0.369 CCNC(=O)CCCN(C)C(=O)OC 11a_100015525214_100000752137 [0,2,0,0,0,0|2,0,0]=4 2664 B13R0.369 CCNC(=O)CCCN(C)C(=O)OC 240690a_100015525214_100000752137 [0,2,0,0,0,0|2,0,0]=4 2665 B13R0.369 CCNC(=O)CCCN(C)C(=O)OC 527a_100015525214_100000752137 [0,2,0,0,0,0|2,0,0]=4 2666 B13R0.369 CCNC(=O)CCNC(C)C(=O)OC 34a_100025743525_100000211248 [0,2,0,0,0,0|2,0,0]=4 2667 B13R0.369 CCNC(=O)CCSC(C)C(=O)OC 62a_100000211248_100000737597 [0,2,0,0,0,0|2,0,0]=4 2668 B13R0.369 CCNC(=O)CCSC(C)C(=O)OC 62a_100000737597_100000211248 [0,2,0,0,0,0|2,0,0]=4 2669 B13R0.369 CCNC(=O)COCC(C)C(=O)OC 34a_100000749362_100000183381 [0,2,0,0,0,0|2,0,0]=4 2670 B13R0.369 CCNC(=O)COCC(C)C(=O)OC 7a_100000749362_100000183381 [0,2,0,0,0,0|2,0,0]=4 2671 B13R0.369 CCNC(=O)COCC(F)C(=O)OC 34a_200009849844_100000183381 [0,2,0,0,0,0|2,0,0]=4 2672 B13R0.369 CCNC(=O)COC[C@@H](N)C(=O)OC 34a_100000003586_100000183381 [0,2,0,0,0,0|2,0,0]=4 2673 B13R0.369 CCNC(=O)CSCC(C)C(=O)OC 62a_100000183381_100000698445 [0,2,0,0,0,0|2,0,0]=4 2674 B13R0.369 CCNC(=O)CSCC(C)C(=O)OC 62a_100000698445_100000183381 [0,2,0,0,0,0|2,0,0]=4 2675 B13R0.369 CCOC(=O)CCCC(=O)C(=O)NC 1458a_100011218921_100011215271 [0,2,0,0,0,0|1,0,1]=4 2676 B13R0.369 CCOC(=O)CCN[C@H](C)C(=O)NC 2230a_100000684985_100011206558 [0,2,0,0,0,0|2,0,0]=4 2677 B13R0.369 CCOC(=O)CCN[C@H](C)C(=O)NC 34a_100000684985_100000765890 [0,2,0,0,0,0|2,0,0]=4 2678 B13R0.369 CCOC(=O)CCOC(C)C(=O)OC 34a_100011215400_100000765890 [0,2,0,0,0,0|1,0,0]=3 2679 B13R0.369 CCOC(=O)CCSC(C)C(=O)CC 62a_100000742827_100000765890 [0,2,0,0,0,0|2,0,0]=4 2680 B13R0.369 CCOC(=O)CCSC(C)C(=O)CC 62a_100000765890_100000742827 [0,2,0,0,0,0|2,0,0]=4 2681 B13R0.369 CCOC(=O)CCSC(C)C(=O)NC 62a_100000209862_100000765890 [0,2,0,0,0,0|2,0,0]=4 2682 B13R0.369 CCOC(=O)CCSC(C)C(=O)NC 62a_100000765890_100000731044 [0,2,0,0,0,0|2,0,0]=4 2683 B13R0.369 CCOC(=O)CCSC(C)C(=O)OC 62a_100000211248_100000765890 [0,2,0,0,0,0|1,0,0]=3 2684 B13R0.369 CCOC(=O)CCSC(C)C(=O)OC 62a_100000765890_100000211248 [0,2,0,0,0,0|1,0,0]=3 2685 B13R0.369 CCOC(=O)CCSC(F)C(=O)NC 62a_100000765890_100009813575 [0,2,0,0,0,0|2,0,0]=4 2686 B13R0.369 CCOC(=O)CCSC(F)C(=O)NC 62a_100009813575_100000765890 [0,2,0,0,0,0|2,0,0]=4 2687 B13R0.369 CCOC(=O)CNCC(C)C(=O)NC 2230a_100015187722_100000188475 [0,2,0,0,0,0|2,0,0]=4 2688 B13R0.369 CCOC(=O)CNCC(C)C(=O)NC 34a_100015187722_100000188475 [0,2,0,0,0,0|2,0,0]=4 2689 B13R0.369 CCOC(=O)COCC(C)C(=O)OC 34a_100000749362_100000188475 [0,2,0,0,0,0|1,0,0]=3 2690 B13R0.369 CCOC(=O)COCC(C)C(=O)OC 7a_100000749362_100000188475 [0,2,0,0,0,0|1,0,0]=3 2691 B13R0.369 CCOC(=O)COCC(F)C(=O)OC 34a_200009849844_100000188475 [0,2,0,0,0,0|1,0,0]=3 2692 B13R0.369 CCOC(=O)COC[C@@H](N)C(=O)OC 34a_100000003586_100000188475 [0,2,0,0,0,0|1,0,0]=3 2693 B13R0.369 CCOC(=O)CSCC(=O)C(=O)OC 62a_100000188475_100011610305 [0,2,0,0,0,0|1,0,1]=4 2694 B13R0.369 CCOC(=O)CSCC(=O)C(=O)OC 62a_100011610305_100000188475 [0,2,0,0,0,0|1,0,1]=4 2695 B13R0.369 CCOC(=O)CSCC(C)C(=O)OC 62a_100000188475_100000698445 [0,2,0,0,0,0|1,0,0]=3 2696 B13R0.369 CCOC(=O)CSCC(C)C(=O)OC 62a_100000698445_100000188475 [0,2,0,0,0,0|1,0,0]=3 2697 B13R0.369 CCOC(=O)OCSC(C)C(=O)OC 62a_100000211248_100000075025 [0,2,0,0,0,0|2,0,0]=4 2698 B13R0.369 CNNC(=O)CCCN(C)C(=O)OC 22a_100016993582_100000752137 [0,2,0,0,0,0|2,0,0]=4 2699 B13R0.369 COC(=O)C(C)COCC(=O)NCO 34a_100000749362_100000185155 [0,2,0,0,0,0|2,0,0]=4 2700 B13R0.369 COC(=O)C(C)COCC(=O)NCO 7a_100000749362_100000185155 [0,2,0,0,0,0|2,0,0]=4 2701 B13R0.369 COC(=O)C(C)CSCC(=O)NCO 62a_100000185155_100000698445 [0,2,0,0,0,0|2,0,0]=4 2702 B13R0.369 COC(=O)C(C)CSCC(=O)NCO 62a_100000698445_100000185155 [0,2,0,0,0,0|2,0,0]=4 2703 B13R0.369 COC(=O)C(F)COCC(=O)NCO 34a_200009849844_100000185155 [0,2,0,0,0,0|2,0,0]=4 2704 B13R0.369 COC(=O)N(C)CCCC(=O)CCF 1458a_100000752137_100011217306 [0,2,0,0,0,0|2,0,0]=4 2705 B13R0.369 COC(=O)N(C)CCCC(=O)CCO 1458a_100000752137_100000211926 [0,2,0,0,0,0|2,0,0]=4 2706 B13R0.369 COC(=O)[C@H](N)COCC(=O)NCO 34a_100000003586_100000185155 [0,2,0,0,0,0|2,0,0]=4 2707 B13R0.857 C#CC(=O)CCCC(C)(C)C(=O)OC 1458a_100000211873_100010114820 [0,2,0,0,0,0|1,0,1]=4 2708 B13R0.857 C=CC(=O)CCCC(C)(C)C(=O)OC 1458a_100000185746_100010114820 [0,2,0,0,0,0|1,0,1]=4 2709 B13R0.857 CCC(=O)CCCC(C)(C)C(=O)OC 1458a_100000210414_100010114820 [0,2,0,0,0,0|1,0,0]=3 2710 B13R0.857 CCC(=O)COCC(C)(C)C(=O)OC 7a_100000709632_100000747405 [0,2,0,0,0,0|2,0,0]=4 2711 B13R0.857 CCC(=O)COCC(F)(F)C(=O)OC 34a_100000725409_100010295740 [0,2,0,0,0,0|2,0,0]=4 2712 B13R0.857 CCC(=O)CSCC(C)(C)C(=O)OC 62a_100000684552_100000747405 [0,2,0,0,0,0|2,0,0]=4 2713 B13R0.857 CCC(=O)CSCC(C)(C)C(=O)OC 62a_100000747405_100000684552 [0,2,0,0,0,0|2,0,0]=4 2714 B13R0.857 CCC(=O)CSCC(F)(F)C(=O)OC 62a_100000747405_100010295740 [0,2,0,0,0,0|2,0,0]=4 2715 B13R0.857 CCC(=O)CSCC(F)(F)C(=O)OC 62a_100010295740_100000747405 [0,2,0,0,0,0|2,0,0]=4 2716 B13R0.857 CNC(=O)C(C)(C)CSCC(=O)OC 62a_100000702813_100000747449 [0,2,0,0,0,0|2,0,0]=4 2717 B13R0.857 CNC(=O)C(C)(C)CSCC(=O)OC 62a_100000747449_100000702813 [0,2,0,0,0,0|2,0,0]=4 2718 B13R0.857 CNC(=O)C(C)(C)SCCC(=O)OC 62a_100000204255_100000732697 [0,2,0,0,0,0|2,0,0]=4 2719 B13R0.857 CNC(=O)C(C)(C)SCCC(=O)OC 62a_100000732697_100000204255 [0,2,0,0,0,0|2,0,0]=4 2720 B13R0.857 CNC(=O)CCNC(C)(C)C(=O)OC 2230a_100000738227_100000689032 [0,2,0,0,0,0|2,0,0]=4 2721 B13R0.857 CNC(=O)CCNC(C)(F)C(=O)OC 2230a_100000738227_200009867631 [0,2,0,0,0,0|2,0,0]=4 2722 B13R0.857 CNC(=O)CCNC(C)(F)C(=O)OC 34a_100000738227_200009867631 [0,2,0,0,0,0|2,0,0]=4 2723 B13R0.857 CNC(=O)CCNC(F)(F)C(=O)OC 34a_100000738227_100000211177 [0,2,0,0,0,0|2,0,0]=4 2724 B13R0.857 CNC(=O)CCOC(C)(C)C(=O)OC 34a_100011217581_100012179268 [0,2,0,0,0,0|2,0,0]=4 2725 B13R0.857 CNC(=O)CCOC(C)(C)C(=O)OC 7a_100011217581_100000737683 [0,2,0,0,0,0|2,0,0]=4 2726 B13R0.857 CNC(=O)CCOC(C)(F)C(=O)OC 34a_100000754576_200009867631 [0,2,0,0,0,0|2,0,0]=4 2727 B13R0.857 CNC(=O)CCOC(F)(F)C(=O)OC 34a_100000754576_100000211177 [0,2,0,0,0,0|2,0,0]=4 2728 B13R0.857 CNC(=O)CCSC(C)(C)C(=O)OC 62a_100000689032_100000737683 [0,2,0,0,0,0|2,0,0]=4 2729 B13R0.857 CNC(=O)CCSC(C)(C)C(=O)OC 62a_100000737683_100000689032 [0,2,0,0,0,0|2,0,0]=4 2730 B13R0.857 CNC(=O)CCSC(C)(F)C(=O)OC 62a_100000737683_200009867631 [0,2,0,0,0,0|2,0,0]=4 2731 B13R0.857 CNC(=O)CCSC(C)(F)C(=O)OC 62a_200009867631_100000737683 [0,2,0,0,0,0|2,0,0]=4 2732 B13R0.857 CNC(=O)CCSC(F)(F)C(=O)OC 62a_100000211177_100000737683 [0,2,0,0,0,0|2,0,0]=4 2733 B13R0.857 CNC(=O)CCSC(F)(F)C(=O)OC 62a_100000737683_100000211177 [0,2,0,0,0,0|2,0,0]=4 2734 B13R0.857 CNC(=O)COCC(C)(C)C(=O)OC 34a_100000709632_100000183359 [0,2,0,0,0,0|2,0,0]=4 2735 B13R0.857 CNC(=O)COCC(C)(C)C(=O)OC 7a_100000709632_100000183359 [0,2,0,0,0,0|2,0,0]=4 2736 B13R0.857 CNC(=O)COCC(F)(F)C(=O)OC 34a_100000750040_100010295740 [0,2,0,0,0,0|2,0,0]=4 2737 B13R0.857 CNC(=O)CSCC(C)(C)C(=O)OC 62a_100000183359_100000684552 [0,2,0,0,0,0|2,0,0]=4 2738 B13R0.857 CNC(=O)CSCC(C)(C)C(=O)OC 62a_100000684552_100000183359 [0,2,0,0,0,0|2,0,0]=4 2739 B13R0.857 CNC(=O)CSCC(F)(F)C(=O)OC 62a_100000183359_100010295740 [0,2,0,0,0,0|2,0,0]=4 2740 B13R0.857 CNC(=O)CSCC(F)(F)C(=O)OC 62a_100010295740_100000183359 [0,2,0,0,0,0|2,0,0]=4 2741 B13R0.857 COC(=O)C(C)(C)CCCC(=O)CO 1458a_100000210174_100010114820 [0,2,0,0,0,0|2,0,0]=4 2742 B13R0.857 COC(=O)CCOC(C)(C)C(=O)OC 34a_100011217581_100000742370 [0,2,0,0,0,0|1,0,0]=3 2743 B13R0.857 COC(=O)CCOC(C)(C)C(=O)OC 7a_100011217581_100000204255 [0,2,0,0,0,0|1,0,0]=3 2744 B13R0.857 COC(=O)CCSC(C)(C)C(=O)OC 62a_100000204255_100000689032 [0,2,0,0,0,0|1,0,0]=3 2745 B13R0.857 COC(=O)CCSC(C)(C)C(=O)OC 62a_100000689032_100000204255 [0,2,0,0,0,0|1,0,0]=3 2746 B13R0.857 COC(=O)CCSC(C)(F)C(=O)OC 62a_100000204255_200009867631 [0,2,0,0,0,0|1,0,0]=3 2747 B13R0.857 COC(=O)CCSC(C)(F)C(=O)OC 62a_200009867631_100000204255 [0,2,0,0,0,0|1,0,0]=3 2748 B13R0.857 COC(=O)CCSC(F)(F)C(=O)OC 62a_100000204255_100000211177 [0,2,0,0,0,0|1,0,0]=3 2749 B13R0.857 COC(=O)CCSC(F)(F)C(=O)OC 62a_100000211177_100000204255 [0,2,0,0,0,0|1,0,0]=3 2750 B13R0.857 COC(=O)COCC(C)(C)C(=O)OC 34a_100000709632_100000747449 [0,2,0,0,0,0|1,0,0]=3 2751 B13R0.857 COC(=O)COCC(C)(C)C(=O)OC 7a_100000709632_100000747449 [0,2,0,0,0,0|1,0,0]=3 2752 B13R0.857 COC(=O)CSCC(C)(C)C(=O)OC 62a_100000684552_100000747449 [0,2,0,0,0,0|1,0,0]=3 2753 B13R0.857 COC(=O)CSCC(C)(C)C(=O)OC 62a_100000747449_100000684552 [0,2,0,0,0,0|1,0,0]=3 2754 B13R0.857 COC(=O)CSCC(F)(F)C(=O)OC 62a_100000747449_100010295740 [0,2,0,0,0,0|1,0,0]=3 2755 B13R0.857 COC(=O)CSCC(F)(F)C(=O)OC 62a_100010295740_100000747449 [0,2,0,0,0,0|1,0,0]=3 2756 B13R0.857 COC(=O)OCSC(C)(C)C(=O)OC 62a_100000689032_100000139417 [0,2,0,0,0,0|2,0,0]=4 2757 B13R0.857 COC(=O)OCSC(C)(F)C(=O)OC 62a_200009867631_100000139417 [0,2,0,0,0,0|2,0,0]=4 2758 B13R0.857 COC(=O)OCSC(F)(F)C(=O)OC 62a_100000211177_100000139417 [0,2,0,0,0,0|2,0,0]=4 2759 B13R0.1246 CCC(=O)C(CC)OCCC(=O)OC 34a_200011218131_100000742370 [0,2,0,0,0,0|2,0,0]=4 2760 B13R0.1246 CCC(=O)C(CC)OCCC(=O)OC 7a_200011218131_100000204255 [0,2,0,0,0,0|2,0,0]=4 2761 B13R0.1246 CCC(NCCC(=O)NC)C(=O)OC 2230a_100000738227_100000235869 [0,2,0,0,0,0|2,0,0]=4 2762 B13R0.1246 CCC(NCCC(=O)NC)C(=O)OC 34a_100000738227_100000235869 [0,2,0,0,0,0|2,0,0]=4 2763 B13R0.1246 CCC(OCCC(=O)NC)C(=O)OC 34a_100000695916_100012179268 [0,2,0,0,0,0|2,0,0]=4 2764 B13R0.1246 CCC(OCCC(=O)NC)C(=O)OC 34a_100000754576_100000235869 [0,2,0,0,0,0|2,0,0]=4 2765 B13R0.1246 CCC(OCCC(=O)NC)C(=O)OC 7a_100000695916_100000737683 [0,2,0,0,0,0|2,0,0]=4 2766 B13R0.1246 CCC(OCCC(=O)OC)C(=O)OC 34a_100000695916_100000742370 [0,2,0,0,0,0|1,0,0]=3 2767 B13R0.1246 CCC(OCCC(=O)OC)C(=O)OC 7a_100000695916_100000204255 [0,2,0,0,0,0|1,0,0]=3 2768 B13R0.1246 CCC(SCCC(=O)NC)C(=O)OC 62a_100000235869_100000737683 [0,2,0,0,0,0|2,0,0]=4 2769 B13R0.1246 CCC(SCCC(=O)NC)C(=O)OC 62a_100000737683_100000235869 [0,2,0,0,0,0|2,0,0]=4 2770 B13R0.1246 CCC(SCCC(=O)OC)C(=O)OC 62a_100000204255_100000235869 [0,2,0,0,0,0|1,0,0]=3 2771 B13R0.1246 CCC(SCCC(=O)OC)C(=O)OC 62a_100000235869_100000204255 [0,2,0,0,0,0|1,0,0]=3 2772 B13R0.1246 CCC(SCOC(=O)OC)C(=O)OC 62a_100000235869_100000139417 [0,2,0,0,0,0|2,0,0]=4 2773 B13R0.1246 CC[C@H](NCCC(=O)OC)C(=O)NC 2230a_106657271573_100000204255 [0,2,0,0,0,0|2,0,0]=4 2774 B13R0.1246 CC[C@H](NCCC(=O)OC)C(=O)NC 34a_106657271573_100000742370 [0,2,0,0,0,0|2,0,0]=4 2775 B13R0.1246 CNC(=O)CCNC(C=O)C(=O)OC 34a_100000738227_100000046368 [0,2,0,0,0,0|2,0,0]=4 2776 B13R0.1246 CNC(=O)CCNC(CO)C(=O)OC 34a_100000738227_100012276630 [0,2,0,0,0,0|2,0,0]=4 2777 B13R0.1246 CNC(=O)CCNC(OC)C(=O)OC 34a_100000738227_100000101307 [0,2,0,0,0,0|2,0,0]=4 2778 B13R0.1246 CNC(=O)CCOC(C=O)C(=O)OC 34a_100000754576_100000046368 [0,2,0,0,0,0|2,0,0]=4 2779 B13R0.1246 CNC(=O)CCOC(CN)C(=O)OC 34a_100000695228_100012179268 [0,2,0,0,0,0|2,0,0]=4 2780 B13R0.1246 CNC(=O)CCOC(CO)C(=O)OC 34a_100000754576_100012276630 [0,2,0,0,0,0|2,0,0]=4 2781 B13R0.1246 CNC(=O)CCOC(OC)C(=O)OC 34a_100000036821_100012179268 [0,2,0,0,0,0|2,0,0]=4 2782 B13R0.1246 CNC(=O)CCOC(OC)C(=O)OC 34a_100000754576_100000101307 [0,2,0,0,0,0|2,0,0]=4 2783 B13R0.1246 CNC(=O)CCSC(C=O)C(=O)OC 62a_100000046368_100000737683 [0,2,0,0,0,0|2,0,0]=4 2784 B13R0.1246 CNC(=O)CCSC(C=O)C(=O)OC 62a_100000737683_100000046368 [0,2,0,0,0,0|2,0,0]=4 2785 B13R0.1246 CNC(=O)CCSC(CO)C(=O)OC 62a_100000737683_100012276630 [0,2,0,0,0,0|2,0,0]=4 2786 B13R0.1246 CNC(=O)CCSC(CO)C(=O)OC 62a_100012276630_100000737683 [0,2,0,0,0,0|2,0,0]=4 2787 B13R0.1246 CNC(=O)CCSC(OC)C(=O)OC 62a_100000101307_100000737683 [0,2,0,0,0,0|2,0,0]=4 2788 B13R0.1246 CNC(=O)CCSC(OC)C(=O)OC 62a_100000737683_100000101307 [0,2,0,0,0,0|2,0,0]=4 2789 B13R0.1246 COC(=O)CCOC(CN)C(=O)OC 34a_100000695228_100000742370 [0,2,0,0,0,0|1,0,0]=3 2790 B13R0.1246 COC(=O)CCOC(OC)C(=O)OC 34a_100000036821_100000742370 [0,2,0,0,0,0|1,0,0]=3 2791 B13R0.1246 COC(=O)CCSC(C=O)C(=O)OC 62a_100000046368_100000204255 [0,2,0,0,0,0|1,0,0]=3 2792 B13R0.1246 COC(=O)CCSC(C=O)C(=O)OC 62a_100000204255_100000046368 [0,2,0,0,0,0|1,0,0]=3 2793 B13R0.1246 COC(=O)CCSC(CO)C(=O)OC 62a_100000204255_100012276630 [0,2,0,0,0,0|1,0,0]=3 2794 B13R0.1246 COC(=O)CCSC(CO)C(=O)OC 62a_100012276630_100000204255 [0,2,0,0,0,0|1,0,0]=3 2795 B13R0.1246 COC(=O)CCSC(OC)C(=O)OC 62a_100000101307_100000204255 [0,2,0,0,0,0|1,0,0]=3 2796 B13R0.1246 COC(=O)CCSC(OC)C(=O)OC 62a_100000204255_100000101307 [0,2,0,0,0,0|1,0,0]=3 2797 B13R0.1246 COC(=O)OCSC(C=O)C(=O)OC 62a_100000046368_100000139417 [0,2,0,0,0,0|2,0,0]=4 2798 B13R0.1246 COC(=O)OCSC(CO)C(=O)OC 62a_100012276630_100000139417 [0,2,0,0,0,0|2,0,0]=4 2799 B13R0.1246 COC(=O)OCSC(OC)C(=O)OC 62a_100000101307_100000139417 [0,2,0,0,0,0|2,0,0]=4 2800 B13R0.91 C=C(C)C(=O)CCCCC(=O)OCC 1458a_100000185857_100000750268 [0,2,0,0,0,0|1,0,0]=3 2801 B13R0.91 C=C(C)C(=O)CCOCC(=O)OCC 1458a_100000185857_100000088970 [0,2,0,0,0,0|2,0,0]=4 2802 B13R0.91 C=C(C)C(=O)NCCCC(=O)OCC 188690a_100000211256_100000185857 [0,2,0,0,0,0|2,0,0]=4 2803 B13R0.91 CC#CC(=O)CCCCC(=O)N(C)C 1458a_100000763181_100000752486 [0,2,0,0,0,0|2,0,0]=4 2804 B13R0.91 CC=CC(=O)CCCCC(=O)N(C)C 1458a_100000210699_100000752486 [0,2,0,0,0,0|2,0,0]=4 2805 B13R0.91 CCCC(=O)CCCCC(=O)N(C)C 1458a_100000211992_100000752486 [0,2,0,0,0,0|2,0,0]=4 2806 B13R0.91 CCOC(=O)CCCCC(=O)C(C)C 1458a_100000210198_100000750268 [0,2,0,0,0,0|1,0,0]=3 2807 B13R0.91 CCOC(=O)CCCCC(=O)C(C)C 1458a_100011217402_100000210206 [0,2,0,0,0,0|1,0,0]=3 2808 B13R0.91 CCOC(=O)CCCCC(=O)C(C)F 1458a_100000062450_100000750268 [0,2,0,0,0,0|1,0,0]=3 2809 B13R0.91 CCOC(=O)CCCCC(=O)C(O)O 1458a_100000233687_100000750268 [0,2,0,0,0,0|2,0,0]=4 2810 B13R0.91 CCOC(=O)CCCCC(=O)N(C)C 11a_100102631434_100011217402 [0,2,0,0,0,0|1,0,0]=3 2811 B13R0.91 CCOC(=O)CCCCC(=O)N(C)C 1626a_100102631434_100011217402 [0,2,0,0,0,0|1,0,0]=3 2812 B13R0.91 CCOC(=O)CCCCC(=O)N(C)C 240690a_100102631434_100011217402 [0,2,0,0,0,0|1,0,0]=3 2813 B13R0.91 CCOC(=O)CCCCC(=O)N(C)C 527a_100102631434_100011217402 [0,2,0,0,0,0|1,0,0]=3 2814 B13R0.91 CCOC(=O)CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000750268 [0,2,0,0,0,0|1,0,0]=3 2815 B13R0.91 CCOC(=O)CCCCC(=O)[C@H](C)O 1458a_217856618621_100000750268 [0,2,0,0,0,0|1,0,0]=3 2816 B13R0.91 CCOC(=O)CCCNC(=O)C(C)C 188690a_100000211256_100000210198 [0,2,0,0,0,0|2,0,0]=4 2817 B13R0.91 CCOC(=O)CCCNC(=O)C(C)F 188690a_100000211256_100000062450 [0,2,0,0,0,0|2,0,0]=4 2818 B13R0.91 CCOC(=O)CCCNC(=O)[C@@H](C)O 188690a_100000211256_100000717761 [0,2,0,0,0,0|2,0,0]=4 2819 B13R0.91 CCOC(=O)CCCNC(=O)[C@H](C)O 188690a_100000211256_217856618621 [0,2,0,0,0,0|2,0,0]=4 2820 B13R0.91 CCOC(=O)CCNCC(=O)N(C)C 2230a_100015183351_100011206558 [0,2,0,0,0,0|2,0,0]=4 2821 B13R0.91 CCOC(=O)CCSCC(=O)C(=O)C 62a_100000765890_100011261029 [0,2,0,0,0,0|2,0,0]=4 2822 B13R0.91 CCOC(=O)CCSCC(=O)C(=O)C 62a_100011261029_100000765890 [0,2,0,0,0,0|2,0,0]=4 2823 B13R0.91 CCOC(=O)CCSCC(=O)C(C)C 62a_100000753385_100000765890 [0,2,0,0,0,0|2,0,0]=4 2824 B13R0.91 CCOC(=O)CCSCC(=O)C(C)C 62a_100000765890_100000753385 [0,2,0,0,0,0|2,0,0]=4 2825 B13R0.91 CCOC(=O)CCSCC(=O)N(C)C 62a_100000692301_100000765890 [0,2,0,0,0,0|2,0,0]=4 2826 B13R0.91 CCOC(=O)CCSCC(=O)N(C)C 62a_100000765890_100000692301 [0,2,0,0,0,0|2,0,0]=4 2827 B13R0.91 CCOC(=O)CNCCC(=O)N(C)C 2230a_100000738053_100000188475 [0,2,0,0,0,0|2,0,0]=4 2828 B13R0.91 CCOC(=O)COCCC(=O)C(C)C 1458a_100000210198_100000088970 [0,2,0,0,0,0|2,0,0]=4 2829 B13R0.91 CCOC(=O)COCCC(=O)C(C)F 1458a_100000062450_100000088970 [0,2,0,0,0,0|2,0,0]=4 2830 B13R0.91 CCOC(=O)COCCC(=O)N(C)C 34a_200000747469_100000188475 [0,2,0,0,0,0|2,0,0]=4 2831 B13R0.91 CCOC(=O)COCCC(=O)[C@@H](C)O 1458a_100000717761_100000088970 [0,2,0,0,0,0|2,0,0]=4 2832 B13R0.91 CCOC(=O)COCCC(=O)[C@H](C)O 1458a_217856618621_100000088970 [0,2,0,0,0,0|2,0,0]=4 2833 B13R0.91 CCOC(=O)CSCCC(=O)N(C)C 62a_100000188475_100000737620 [0,2,0,0,0,0|2,0,0]=4 2834 B13R0.91 CCOC(=O)CSCCC(=O)N(C)C 62a_100000737620_100000188475 [0,2,0,0,0,0|2,0,0]=4 2835 B13R0.91 CN(C)C(=O)CCCCC(=O)CCO 1458a_100011216618_100000752486 [0,2,0,0,0,0|2,0,0]=4 2836 B13R0.91 COCC(=O)CCCCC(=O)N(C)C 1458a_100000210968_100000752486 [0,2,0,0,0,0|1,0,0]=3 2837 B13R0.91 COCC(=O)NCCCC(=O)N(C)C 11a_200000744827_100000210968 [0,2,0,0,0,0|2,0,0]=4 2838 B13R0.91 COCC(=O)NCCCC(=O)N(C)C 240690a_200000744827_100000210968 [0,2,0,0,0,0|2,0,0]=4 2839 B13R0.91 COCC(=O)NCCCC(=O)N(C)C 527a_200000744827_100000210968 [0,2,0,0,0,0|2,0,0]=4 2840 B13R0.91 CSCC(=O)CCCCC(=O)N(C)C 1458a_100000184570_100000752486 [0,2,0,0,0,0|1,1,0]=4 2841 B13R0.162 COC(=O)CCCCC(=O)C(C)(C)C 1458a_106744555173_100000204269 [0,2,0,0,0,0|1,0,0]=3 2842 B13R0.162 COC(=O)CCCCC(=O)C(C)(C)F 1458a_100000765255_100000204269 [0,2,0,0,0,0|1,0,0]=3 2843 B13R0.162 COC(=O)CCCCC(=O)C(C)(C)O 1458a_100000242741_100000204269 [0,2,0,0,0,0|1,0,0]=3 2844 B13R0.162 COC(=O)CCCCC(=O)C(F)(F)F 1458a_100000695723_200000243211 [0,2,0,0,0,0|2,0,0]=4 2845 B13R0.162 COC(=O)CCCCC(=O)C(F)(F)F 1458a_100015355933_100000204269 [0,2,0,0,0,0|2,0,0]=4 2846 B13R0.162 COC(=O)CCCNC(=O)C(C)(C)C 188690a_100000184769_106744555173 [0,2,0,0,0,0|2,0,0]=4 2847 B13R0.162 COC(=O)CCCNC(=O)C(C)(C)F 188690a_100000184769_100000765255 [0,2,0,0,0,0|2,0,0]=4 2848 B13R0.162 COC(=O)CCCNC(=O)C(C)(C)O 188690a_100000184769_100000242741 [0,2,0,0,0,0|2,0,0]=4 2849 B13R0.162 COC(=O)CCOCC(=O)C(C)(C)C 34a_200011592769_100000742370 [0,2,0,0,0,0|2,0,0]=4 2850 B13R0.162 COC(=O)CCOCC(=O)C(C)(C)C 7a_200011592769_100000204255 [0,2,0,0,0,0|2,0,0]=4 2851 B13R0.162 COC(=O)CCSCC(=O)C(C)(C)C 62a_100000204255_100000210923 [0,2,0,0,0,0|2,0,0]=4 2852 B13R0.162 COC(=O)CCSCC(=O)C(C)(C)C 62a_100000210923_100000204255 [0,2,0,0,0,0|2,0,0]=4 2853 B13R0.162 COC(=O)COCCC(=O)C(C)(C)C 1458a_106744555173_100000090808 [0,2,0,0,0,0|2,0,0]=4 2854 B13R0.162 COC(=O)COCCC(=O)C(C)(C)F 1458a_100000765255_100000090808 [0,2,0,0,0,0|2,0,0]=4 2855 B13R0.162 COC(=O)COCCC(=O)C(C)(C)O 1458a_100000242741_100000090808 [0,2,0,0,0,0|2,0,0]=4 2856 B13R0.353 C=C(C)C(=O)CCCCC(=O)N(C)C 1458a_100000185857_100000752486 [0,2,0,0,0,0|2,0,0]=4 2857 B13R0.353 CC(C)C(=O)CCCCC(=O)N(C)C 1458a_100000210198_100000752486 [0,2,0,0,0,0|2,0,0]=4 2858 B13R0.353 CC(F)C(=O)CCCCC(=O)N(C)C 1458a_100000062450_100000752486 [0,2,0,0,0,0|2,0,0]=4 2859 B13R0.353 C[C@@H](O)C(=O)CCCCC(=O)N(C)C 1458a_100000717761_100000752486 [0,2,0,0,0,0|2,0,0]=4 2860 B13R0.353 C[C@H](O)C(=O)CCCCC(=O)N(C)C 1458a_217856618621_100000752486 [0,2,0,0,0,0|2,0,0]=4 2861 B13R0.113 C#CCCC(=O)CCCCC(=O)OC 1458a_100000692101_100000204269 [0,2,0,0,0,0|1,0,0]=3 2862 B13R0.113 C#CCCC(=O)CCCCC(=O)OC 1458a_100000695723_100000753159 [0,2,0,0,0,0|1,0,0]=3 2863 B13R0.113 C#CCCC(=O)CCCNC(=O)OC 1458a_100000753017_100000753159 [0,2,0,0,0,0|2,0,0]=4 2864 B13R0.113 C#CCCC(=O)CCOCC(=O)OC 1458a_100000692101_100000090808 [0,2,0,0,0,0|2,0,0]=4 2865 B13R0.113 C#CCCC(=O)CCOCC(=O)OC 34a_100011064465_100000747449 [0,2,0,0,0,0|2,0,0]=4 2866 B13R0.113 C#CCCC(=O)CCOCC(=O)OC 7a_100011064465_100000747449 [0,2,0,0,0,0|2,0,0]=4 2867 B13R0.113 C#CCNC(=O)CCCCC(=O)OC 11a_100000212058_100000695723 [0,2,0,0,0,0|1,0,0]=3 2868 B13R0.113 C#CCNC(=O)CCCCC(=O)OC 1626a_100000212058_100000695723 [0,2,0,0,0,0|1,0,0]=3 2869 B13R0.113 C#CCNC(=O)CCCCC(=O)OC 240690a_100000212058_100000695723 [0,2,0,0,0,0|1,0,0]=3 2870 B13R0.113 C#CCNC(=O)CCCCC(=O)OC 527a_100000212058_100000695723 [0,2,0,0,0,0|1,0,0]=3 2871 B13R0.113 C#CCNC(=O)CCCNC(=O)OC 11a_100000212058_100000753017 [0,2,0,0,0,0|2,0,0]=4 2872 B13R0.113 C#CCNC(=O)CCCNC(=O)OC 1626a_100000212058_100000753017 [0,2,0,0,0,0|2,0,0]=4 2873 B13R0.113 C#CCNC(=O)CCCNC(=O)OC 240690a_100000212058_100000753017 [0,2,0,0,0,0|2,0,0]=4 2874 B13R0.113 C#CCNC(=O)CCCNC(=O)OC 527a_100000212058_100000753017 [0,2,0,0,0,0|2,0,0]=4 2875 B13R0.113 C#CCNC(=O)CNCCC(=O)OC 2230a_100000747989_100000204255 [0,2,0,0,0,0|2,0,0]=4 2876 B13R0.113 C#CCNC(=O)CNCCC(=O)OC 34a_100000747989_100000742370 [0,2,0,0,0,0|2,0,0]=4 2877 B13R0.113 C/C=C/CC(=O)CCCCC(=O)OC 1458a_100000695723_100102629194 [0,2,0,0,0,0|1,0,0]=3 2878 B13R0.113 C/C=C/CC(=O)CCCNC(=O)OC 1458a_100000753017_100102629194 [0,2,0,0,0,0|2,0,0]=4 2879 B13R0.113 C=C(CSCCC(=O)OC)OCOC 62a_100000042856_100000204255 [0,2,0,0,0,0|2,0,0]=4 2880 B13R0.113 C=C(CSCCC(=O)OC)OCOC 62a_100000204255_100000042856 [0,2,0,0,0,0|2,0,0]=4 2881 B13R0.113 C=CC=CC(=O)CCCCC(=O)OC 1458a_100016291481_100000204269 [0,2,0,0,0,0|1,0,1]=4 2882 B13R0.113 C=CCCC(=O)CCCCC(=O)OC 1458a_100000695723_100000754431 [0,2,0,0,0,0|1,0,0]=3 2883 B13R0.113 C=CCCC(=O)CCCCC(=O)OC 1458a_100000749702_100000204269 [0,2,0,0,0,0|1,0,0]=3 2884 B13R0.113 C=CCCC(=O)CCCNC(=O)OC 1458a_100000753017_100000754431 [0,2,0,0,0,0|2,0,0]=4 2885 B13R0.113 C=CCCC(=O)CCOCC(=O)OC 1458a_100000749702_100000090808 [0,2,0,0,0,0|2,0,0]=4 2886 B13R0.113 C=CCCC(=O)NCCCC(=O)OC 188690a_100000184769_100000749702 [0,2,0,0,0,0|2,0,0]=4 2887 B13R0.113 C=CCNC(=O)CCCCC(=O)OC 1626a_100020586998_100000695723 [0,2,0,0,0,0|1,0,0]=3 2888 B13R0.113 C=CCNC(=O)CCCCC(=O)OC 240690a_100020586998_100000695723 [0,2,0,0,0,0|1,0,0]=3 2889 B13R0.113 C=CCNC(=O)CCCCC(=O)OC 527a_100020586998_100000695723 [0,2,0,0,0,0|1,0,0]=3 2890 B13R0.113 C=CCNC(=O)CCCNC(=O)OC 1626a_100020586998_100000753017 [0,2,0,0,0,0|2,0,0]=4 2891 B13R0.113 C=CCNC(=O)CCCNC(=O)OC 240690a_100020586998_100000753017 [0,2,0,0,0,0|2,0,0]=4 2892 B13R0.113 C=CCNC(=O)CCCNC(=O)OC 527a_100020586998_100000753017 [0,2,0,0,0,0|2,0,0]=4 2893 B13R0.113 C=CCNC(=O)CCSCC(=O)OC 62a_100000747449_100011222895 [0,2,0,0,0,0|2,0,0]=4 2894 B13R0.113 C=CCNC(=O)CCSCC(=O)OC 62a_100011222895_100000747449 [0,2,0,0,0,0|2,0,0]=4 2895 B13R0.113 C=CCNC(=O)CSCCC(=O)OC 62a_100000183597_100000204255 [0,2,0,0,0,0|2,0,0]=4 2896 B13R0.113 C=CCNC(=O)CSCCC(=O)OC 62a_100000204255_100000183597 [0,2,0,0,0,0|2,0,0]=4 2897 B13R0.113 C=CCOC(=O)CNCCC(=O)NC 2230a_100000738227_100000033060 [0,2,0,0,0,0|2,0,0]=4 2898 B13R0.113 C=CCOC(=O)CNCCC(=O)NC 34a_100000738227_100000033060 [0,2,0,0,0,0|2,0,0]=4 2899 B13R0.113 C=CCOC(=O)COCCC(=O)NC 34a_100000754576_100000033060 [0,2,0,0,0,0|2,0,0]=4 2900 B13R0.113 C=CCOC(=O)CSCCC(=O)NC 62a_100000033060_100000737683 [0,2,0,0,0,0|2,0,0]=4 2901 B13R0.113 C=CCOC(=O)CSCCC(=O)NC 62a_100000737683_100000033060 [0,2,0,0,0,0|2,0,0]=4 2902 B13R0.113 C=CCOC(=O)CSCCC(=O)OC 62a_100000033060_100000204255 [0,2,0,0,0,0|1,0,0]=3 2903 B13R0.113 C=CCOC(=O)CSCCC(=O)OC 62a_100000204255_100000033060 [0,2,0,0,0,0|1,0,0]=3 2904 B13R0.113 C=CCOC(=O)CSCOC(=O)OC 62a_100000033060_100000139417 [0,2,0,0,0,0|2,0,0]=4 2905 B13R0.113 CC#CCC(=O)CCCCC(=O)OC 1458a_100000695723_100000748600 [0,2,0,0,0,0|1,0,0]=3 2906 B13R0.113 CC#CCC(=O)CCCNC(=O)OC 1458a_100000753017_100000748600 [0,2,0,0,0,0|2,0,0]=4 2907 B13R0.113 CC=CCC(=O)CCCCC(=O)OC 1458a_100000695723_100000070051 [0,2,0,0,0,0|1,0,0]=3 2908 B13R0.113 CC=CCC(=O)CCCCC(=O)OC 1458a_100121576822_100000204269 [0,2,0,0,0,0|1,0,0]=3 2909 B13R0.113 CC=CCC(=O)CCCNC(=O)OC 1458a_100000753017_100000070051 [0,2,0,0,0,0|2,0,0]=4 2910 B13R0.113 CC=CCC(=O)CCOCC(=O)OC 1458a_100121576822_100000090808 [0,2,0,0,0,0|2,0,0]=4 2911 B13R0.113 CC=CCC(=O)NCCCC(=O)OC 188690a_100000184769_100121576822 [0,2,0,0,0,0|2,0,0]=4 2912 B13R0.113 CCC#CC(=O)CCCCC(=O)OC 1458a_100011827653_100000204269 [0,2,0,0,0,0|1,0,0]=3 2913 B13R0.113 CCC#CC(=O)CCOCC(=O)OC 1458a_100011827653_100000090808 [0,2,0,0,0,0|2,0,0]=4 2914 B13R0.113 CCC=CC(=O)CCCCC(=O)OC 1458a_100000212282_100000204269 [0,2,0,0,0,0|1,0,0]=3 2915 B13R0.113 CCC=CC(=O)CCOCC(=O)OC 1458a_100000212282_100000090808 [0,2,0,0,0,0|2,0,0]=4 2916 B13R0.113 CCCCC(=O)CCCCC(=O)OC 1458a_100000210183_100000204269 [0,2,0,0,0,0|1,0,0]=3 2917 B13R0.113 CCCCC(=O)CCCCC(=O)OC 1458a_100000695723_100000210211 [0,2,0,0,0,0|1,0,0]=3 2918 B13R0.113 CCCCC(=O)CCCNC(=O)OC 1458a_100000753017_100000210211 [0,2,0,0,0,0|2,0,0]=4 2919 B13R0.113 CCCCC(=O)CCOCC(=O)OC 1458a_100000210183_100000090808 [0,2,0,0,0,0|2,0,0]=4 2920 B13R0.113 CCCCC(=O)NCCCC(=O)OC 188690a_100000184769_100000210183 [0,2,0,0,0,0|2,0,0]=4 2921 B13R0.113 CCCNC(=O)CCCCC(=O)OC 11a_100020643023_100000695723 [0,2,0,0,0,0|1,0,0]=3 2922 B13R0.113 CCCNC(=O)CCCCC(=O)OC 1626a_100020643023_100000695723 [0,2,0,0,0,0|1,0,0]=3 2923 B13R0.113 CCCNC(=O)CCCCC(=O)OC 240690a_100020643023_100000695723 [0,2,0,0,0,0|1,0,0]=3 2924 B13R0.113 CCCNC(=O)CCCCC(=O)OC 527a_100020643023_100000695723 [0,2,0,0,0,0|1,0,0]=3 2925 B13R0.113 CCCNC(=O)CCCNC(=O)OC 11a_100020643023_100000753017 [0,2,0,0,0,0|2,0,0]=4 2926 B13R0.113 CCCNC(=O)CCCNC(=O)OC 1626a_100020643023_100000753017 [0,2,0,0,0,0|2,0,0]=4 2927 B13R0.113 CCCNC(=O)CCCNC(=O)OC 240690a_100020643023_100000753017 [0,2,0,0,0,0|2,0,0]=4 2928 B13R0.113 CCCNC(=O)CCCNC(=O)OC 527a_100020643023_100000753017 [0,2,0,0,0,0|2,0,0]=4 2929 B13R0.113 CCCNC(=O)CNCCC(=O)OC 2230a_100000174927_100000204255 [0,2,0,0,0,0|2,0,0]=4 2930 B13R0.113 CCCNC(=O)CSCCC(=O)OC 62a_100000183358_100000204255 [0,2,0,0,0,0|2,0,0]=4 2931 B13R0.113 CCCNC(=O)CSCCC(=O)OC 62a_100000204255_100000183358 [0,2,0,0,0,0|2,0,0]=4 2932 B13R0.113 CCCOC(=O)CNCCC(=O)NC 2230a_100000738227_200011215008 [0,2,0,0,0,0|2,0,0]=4 2933 B13R0.113 CCCOC(=O)CNCCC(=O)NC 34a_100000738227_200011215008 [0,2,0,0,0,0|2,0,0]=4 2934 B13R0.113 CCCOC(=O)COCCC(=O)NC 34a_100000754576_200011215008 [0,2,0,0,0,0|2,0,0]=4 2935 B13R0.113 CCCOC(=O)CSCCC(=O)NC 62a_100000737683_200011215008 [0,2,0,0,0,0|2,0,0]=4 2936 B13R0.113 CCCOC(=O)CSCCC(=O)NC 62a_200011215008_100000737683 [0,2,0,0,0,0|2,0,0]=4 2937 B13R0.113 CCCOC(=O)CSCCC(=O)OC 62a_100000204255_200011215008 [0,2,0,0,0,0|1,0,0]=3 2938 B13R0.113 CCCOC(=O)CSCCC(=O)OC 62a_200011215008_100000204255 [0,2,0,0,0,0|1,0,0]=3 2939 B13R0.113 CCCOC(=O)CSCOC(=O)OC 62a_200011215008_100000139417 [0,2,0,0,0,0|2,0,0]=4 2940 B13R0.113 CCCOC(=O)OCSCC(=O)OC 62a_100000747449_200000139673 [0,2,0,0,0,0|2,0,0]=4 2941 B13R0.113 CCNCC(=O)NCCCC(=O)OC 2230a_100015525214_100000230218 [0,2,0,0,0,0|2,0,0]=4 2942 B13R0.113 CCNN=C(C)CCCCC(=O)OC 4a_100000756455_100010369326 [0,2,0,0,0,0|2,0,0]=4 2943 B13R0.113 CCNNC(=O)CCCCC(=O)OC 22a_100000756455_100000695723 [0,2,0,0,0,0|1,0,0]=3 2944 B13R0.113 CCNNC(=O)CCCNC(=O)OC 22a_100000756455_100000753017 [0,2,0,0,0,0|2,0,0]=4 2945 B13R0.113 CCOCC(=O)CCCCC(=O)OC 1458a_100000211967_100000204269 [0,2,0,0,0,0|0,0,0]=2 2946 B13R0.113 CCOCC(=O)CCOCC(=O)OC 1458a_100000211967_100000090808 [0,2,0,0,0,0|1,0,0]=3 2947 B13R0.113 CCOCC(=O)NCCCC(=O)NC 11a_100000740002_100000211967 [0,2,0,0,0,0|2,0,0]=4 2948 B13R0.113 CCOCC(=O)NCCCC(=O)NC 240690a_100000740002_100000211967 [0,2,0,0,0,0|2,0,0]=4 2949 B13R0.113 CCOCC(=O)NCCCC(=O)NC 527a_100000740002_100000211967 [0,2,0,0,0,0|2,0,0]=4 2950 B13R0.113 CCOCC(=O)NCCCC(=O)OC 188690a_100000184769_100000211967 [0,2,0,0,0,0|1,0,0]=3 2951 B13R0.113 CCOCC(=O)NCCCC(=O)OC 34a_100121572206_100000230218 [0,2,0,0,0,0|1,0,0]=3 2952 B13R0.113 CCSCC(=O)CCCCC(=O)OC 1458a_100000230394_100000204269 [0,2,0,0,0,0|0,1,0]=3 2953 B13R0.113 CCSCC(=O)CCOCC(=O)OC 1458a_100000230394_100000090808 [0,2,0,0,0,0|1,1,0]=4 2954 B13R0.113 CCSCC(=O)NCCCC(=O)OC 188690a_100000184769_100000230394 [0,2,0,0,0,0|1,1,0]=4 2955 B13R0.113 CCSCC(=O)NCCCC(=O)OC 62a_100000210202_100000230218 [0,2,0,0,0,0|1,1,0]=4 2956 B13R0.113 CCSCC(=O)NCCCC(=O)OC 62a_100000230218_100000210202 [0,2,0,0,0,0|1,1,0]=4 2957 B13R0.113 CNC(=O)CCCNC(=O)C=COC 240690a_100000740002_100016268678 [0,2,0,0,0,0|2,0,0]=4 2958 B13R0.113 CNC(=O)CCCNC(=O)CCOC 11a_100000740002_100000749529 [0,2,0,0,0,0|2,0,0]=4 2959 B13R0.113 CNC(=O)CCCNC(=O)CCOC 240690a_100000740002_100000749529 [0,2,0,0,0,0|2,0,0]=4 2960 B13R0.113 CNC(=O)CCCNC(=O)CCOC 527a_100000740002_100000749529 [0,2,0,0,0,0|2,0,0]=4 2961 B13R0.113 COC(=O)CCCCC(=O)C#CCO 1458a_100000049017_100000204269 [0,2,0,0,0,0|1,0,0]=3 2962 B13R0.113 COC(=O)CCCCC(=O)CCC#N 1458a_100000695723_100011215226 [0,2,0,0,0,0|1,0,0]=3 2963 B13R0.113 COC(=O)CCCCC(=O)CCC#N 1458a_100011934036_100000204269 [0,2,0,0,0,0|1,0,0]=3 2964 B13R0.113 COC(=O)CCCCC(=O)CCCF 1458a_100000695723_100011934791 [0,2,0,0,0,0|1,0,0]=3 2965 B13R0.113 COC(=O)CCCCC(=O)CCCO 1458a_100000695723_100011215043 [0,2,0,0,0,0|1,0,0]=3 2966 B13R0.113 COC(=O)CCCCC(=O)CCSC 1458a_100000174002_100000204269 [0,2,0,0,0,0|0,1,0]=3 2967 B13R0.113 COC(=O)CCCCC(=O)CCSC 1458a_100000695723_100000751147 [0,2,0,0,0,0|0,1,0]=3 2968 B13R0.113 COC(=O)CCCCC(=O)NCC#N 1626a_100000734998_100000695723 [0,2,0,0,0,0|1,0,0]=3 2969 B13R0.113 COC(=O)CCCCC(=O)NCC#N 527a_100000734998_100000695723 [0,2,0,0,0,0|1,0,0]=3 2970 B13R0.113 COC(=O)CCCCC(=O)NCCF 11a_100000724931_100000695723 [0,2,0,0,0,0|1,0,0]=3 2971 B13R0.113 COC(=O)CCCCC(=O)NCCF 1626a_100000724931_100000695723 [0,2,0,0,0,0|1,0,0]=3 2972 B13R0.113 COC(=O)CCCCC(=O)NCCF 240690a_100000724931_100000695723 [0,2,0,0,0,0|1,0,0]=3 2973 B13R0.113 COC(=O)CCCCC(=O)NCCF 527a_100000724931_100000695723 [0,2,0,0,0,0|1,0,0]=3 2974 B13R0.113 COC(=O)CCCCC(=O)NCCO 240690a_100000210304_100000695723 [0,2,0,0,0,0|1,0,0]=3 2975 B13R0.113 COC(=O)CCCCC(=O)NCCO 527a_100000210304_100000695723 [0,2,0,0,0,0|1,0,0]=3 2976 B13R0.113 COC(=O)CCCNC(=O)CCSC 188690a_100000184769_100000174002 [0,2,0,0,0,0|1,1,0]=4 2977 B13R0.113 COC(=O)CCCNC(=O)CSCF 62a_100000230218_100015361967 [0,2,0,0,0,0|1,1,0]=4 2978 B13R0.113 COC(=O)CCCNC(=O)CSCF 62a_100015361967_100000230218 [0,2,0,0,0,0|1,1,0]=4 2979 B13R0.113 COC(=O)CCNCC(=O)NCCF 2230a_100000725713_100000204255 [0,2,0,0,0,0|2,0,0]=4 2980 B13R0.113 COC(=O)CCSCC(=O)NCC#N 62a_100000204255_100000736037 [0,2,0,0,0,0|2,0,0]=4 2981 B13R0.113 COC(=O)CCSCC(=O)NCC#N 62a_100000736037_100000204255 [0,2,0,0,0,0|2,0,0]=4 2982 B13R0.113 COC(=O)COCCC(=O)C#CCO 1458a_100000049017_100000090808 [0,2,0,0,0,0|2,0,0]=4 2983 B13R0.113 COC(=O)COCCC(=O)CCC#N 1458a_100011934036_100000090808 [0,2,0,0,0,0|2,0,0]=4 2984 B13R0.113 COC(=O)COCCC(=O)CCSC 1458a_100000174002_100000090808 [0,2,0,0,0,0|1,1,0]=4 2985 B13R0.113 COC(=O)NCCCC(=O)CCC#N 1458a_100000753017_100011215226 [0,2,0,0,0,0|2,0,0]=4 2986 B13R0.113 COC(=O)NCCCC(=O)CCCF 1458a_100000753017_100011934791 [0,2,0,0,0,0|2,0,0]=4 2987 B13R0.113 COC(=O)NCCCC(=O)CCCO 1458a_100000753017_100011215043 [0,2,0,0,0,0|2,0,0]=4 2988 B13R0.113 COC(=O)NCCCC(=O)CCSC 1458a_100000753017_100000751147 [0,2,0,0,0,0|1,1,0]=4 2989 B13R0.113 COC(=O)NCCCC(=O)NCC#N 1626a_100000734998_100000753017 [0,2,0,0,0,0|2,0,0]=4 2990 B13R0.113 COC(=O)NCCCC(=O)NCC#N 527a_100000734998_100000753017 [0,2,0,0,0,0|2,0,0]=4 2991 B13R0.113 COC(=O)NCCCC(=O)NCCF 11a_100000724931_100000753017 [0,2,0,0,0,0|2,0,0]=4 2992 B13R0.113 COC(=O)NCCCC(=O)NCCF 1626a_100000724931_100000753017 [0,2,0,0,0,0|2,0,0]=4 2993 B13R0.113 COC(=O)NCCCC(=O)NCCF 240690a_100000724931_100000753017 [0,2,0,0,0,0|2,0,0]=4 2994 B13R0.113 COC(=O)NCCCC(=O)NCCF 527a_100000724931_100000753017 [0,2,0,0,0,0|2,0,0]=4 2995 B13R0.113 COC(=O)NCCCC(=O)NCCO 240690a_100000210304_100000753017 [0,2,0,0,0,0|2,0,0]=4 2996 B13R0.113 COC(=O)NCCCC(=O)NCCO 527a_100000210304_100000753017 [0,2,0,0,0,0|2,0,0]=4 2997 B13R0.113 COC=CC(=O)CCCCC(=O)OC 1458a_100016268678_100000204269 [0,2,0,0,0,0|0,0,0]=2 2998 B13R0.113 COC=CC(=O)CCOCC(=O)OC 1458a_100016268678_100000090808 [0,2,0,0,0,0|1,0,0]=3 2999 B13R0.113 COCCC(=O)CCCCC(=O)OC 1458a_100000695723_100000233755 [0,2,0,0,0,0|0,0,0]=2 3000 B13R0.113 COCCC(=O)CCCCC(=O)OC 1458a_100000749529_100000204269 [0,2,0,0,0,0|0,0,0]=2 3001 B13R0.113 COCCC(=O)CCCNC(=O)OC 1458a_100000753017_100000233755 [0,2,0,0,0,0|1,0,0]=3 3002 B13R0.113 COCCC(=O)CCOCC(=O)OC 1458a_100000749529_100000090808 [0,2,0,0,0,0|1,0,0]=3 3003 B13R0.113 COCCC(=O)NCCCC(=O)OC 188690a_100000184769_100000749529 [0,2,0,0,0,0|1,0,0]=3 3004 B13R0.113 COCCN(C)CCCCC(=O)OC 2230a_100000743101_100000204269 [0,2,0,0,0,0|2,0,0]=4 3005 B13R0.113 COCCN(C)CCCCC(=O)OC 269982a_100000743101_100000204269 [0,2,0,0,0,0|2,0,0]=4 3006 B13R0.198 C=C(C)CC(=O)CCCCC(=O)OC 1458a_100000695723_100000748629 [0,2,0,0,0,0|1,0,0]=3 3007 B13R0.198 C=C(C)CC(=O)CCCNC(=O)OC 1458a_100000753017_100000748629 [0,2,0,0,0,0|2,0,0]=4 3008 B13R0.198 C=C(F)CC(=O)CCCCC(=O)OC 1458a_100000695723_100009893438 [0,2,0,0,0,0|1,0,1]=4 3009 B13R0.198 CCC(=O)CSCCC(=O)OC(C)C 62a_100000747405_100000760027 [0,2,0,0,0,0|2,0,0]=4 3010 B13R0.198 CCC(=O)CSCCC(=O)OC(C)C 62a_100000760027_100000747405 [0,2,0,0,0,0|2,0,0]=4 3011 B13R0.198 CNC(=O)CCNCC(=O)OC(C)C 2230a_100000738227_100011215430 [0,2,0,0,0,0|2,0,0]=4 3012 B13R0.198 CNC(=O)CCNCC(=O)OC(C)C 34a_100000738227_100011215430 [0,2,0,0,0,0|2,0,0]=4 3013 B13R0.198 CNC(=O)CCOCC(=O)OC(C)C 34a_100000754576_100011215430 [0,2,0,0,0,0|2,0,0]=4 3014 B13R0.198 CNC(=O)CCSCC(=O)OC(C)C 62a_100000737683_100011215430 [0,2,0,0,0,0|2,0,0]=4 3015 B13R0.198 CNC(=O)CCSCC(=O)OC(C)C 62a_100011215430_100000737683 [0,2,0,0,0,0|2,0,0]=4 3016 B13R0.198 CNC(=O)CNCCC(=O)OC(C)C 2230a_100000693194_100000760027 [0,2,0,0,0,0|2,0,0]=4 3017 B13R0.198 CNC(=O)CSCCC(=O)OC(C)C 62a_100000183359_100000760027 [0,2,0,0,0,0|2,0,0]=4 3018 B13R0.198 CNC(=O)CSCCC(=O)OC(C)C 62a_100000760027_100000183359 [0,2,0,0,0,0|2,0,0]=4 3019 B13R0.198 COC(=O)CCCCC(=O)C=C(C)C 1458a_100000211388_100000204269 [0,2,0,0,0,0|1,0,0]=3 3020 B13R0.198 COC(=O)CCCCC(=O)C=C(C)Cl 1458a_200042562850_100000204269 [0,2,0,0,0,0|1,0,0]=3 3021 B13R0.198 COC(=O)CCCCC(=O)C=C(C)I 1458a_100025716642_100000204269 [0,2,0,0,0,0|1,0,0]=3 3022 B13R0.198 COC(=O)CCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000204269 [0,2,0,0,0,0|1,0,1]=4 3023 B13R0.198 COC(=O)CCCCC(=O)CC(=O)N 1458a_100000695723_100000187820 [0,2,0,0,0,0|1,0,1]=4 3024 B13R0.198 COC(=O)CCCCC(=O)CC(=O)N 1458a_100134613110_100000204269 [0,2,0,0,0,0|1,0,1]=4 3025 B13R0.198 COC(=O)CCCCC(=O)CC(=O)[O-] 1458a_100000695723_100020667443 [0,2,0,0,0,0|1,0,1]=4 3026 B13R0.198 COC(=O)CCCCC(=O)CC(C)C 1458a_100000210554_100000204269 [0,2,0,0,0,0|1,0,0]=3 3027 B13R0.198 COC(=O)CCCCC(=O)CC(C)C 1458a_100000695723_100000210624 [0,2,0,0,0,0|1,0,0]=3 3028 B13R0.198 COC(=O)CCCCC(=O)CC(C)O 1458a_100000695723_100011218427 [0,2,0,0,0,0|1,0,0]=3 3029 B13R0.198 COC(=O)CCCCC(=O)CC(F)F 1458a_100000695723_100011934356 [0,2,0,0,0,0|1,0,0]=3 3030 B13R0.198 COC(=O)CCCCC(=O)CN(C)C 1458a_100000750896_100000204269 [0,2,0,0,0,0|1,0,0]=3 3031 B13R0.198 COC(=O)CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000204269 [0,2,0,0,0,0|1,0,0]=3 3032 B13R0.198 COC(=O)CCCCC(=O)C[N+](=O)[O-] 1458a_100000695723_100000761209 [0,2,0,0,0,0|2,0,0]=4 3033 B13R0.198 COC(=O)CCCCC(=O)C[S+](C)C 1458a_200159257847_100000204269 [0,2,0,0,0,0|0,1,0]=3 3034 B13R0.198 COC(=O)CCCCC(=O)NC(C)C 11a_100138425928_100000695723 [0,2,0,0,0,0|1,0,0]=3 3035 B13R0.198 COC(=O)CCCCC(=O)NC(C)C 1626a_100138425928_100000695723 [0,2,0,0,0,0|1,0,0]=3 3036 B13R0.198 COC(=O)CCCCC(=O)NC(C)C 240690a_100138425928_100000695723 [0,2,0,0,0,0|1,0,0]=3 3037 B13R0.198 COC(=O)CCCCC(=O)NC(C)C 527a_100138425928_100000695723 [0,2,0,0,0,0|1,0,0]=3 3038 B13R0.198 COC(=O)CCCNC(=O)C=C(C)C 188690a_100000184769_100000211388 [0,2,0,0,0,0|2,0,0]=4 3039 B13R0.198 COC(=O)CCCNC(=O)CC(=O)C 1458a_100000070787_100000230218 [0,2,0,0,0,0|2,0,0]=4 3040 B13R0.198 COC(=O)CCCNC(=O)CC(C)C 188690a_100000184769_100000210554 [0,2,0,0,0,0|2,0,0]=4 3041 B13R0.198 COC(=O)CCCNC(=O)CN(C)C 188690a_100000184769_100000750896 [0,2,0,0,0,0|2,0,0]=4 3042 B13R0.198 COC(=O)CCCNC(=O)CN(C)C 2230a_100102631434_100000230218 [0,2,0,0,0,0|2,0,0]=4 3043 B13R0.198 COC(=O)CCCNC(=O)CN(C)C 269982a_100102631434_100000230218 [0,2,0,0,0,0|2,0,0]=4 3044 B13R0.198 COC(=O)CCCNC(=O)C[C@@H](C)O 188690a_100000184769_100011933948 [0,2,0,0,0,0|2,0,0]=4 3045 B13R0.198 COC(=O)CCCNC(=O)C[S+](C)C 188690a_100000184769_200159257847 [0,2,0,0,0,0|1,1,0]=4 3046 B13R0.198 COC(=O)CCNCC(=O)NC(C)C 2230a_100000168517_100000204255 [0,2,0,0,0,0|2,0,0]=4 3047 B13R0.198 COC(=O)CCSCC(=O)NC(=O)C 62a_100000204255_100000183797 [0,2,0,0,0,0|2,0,0]=4 3048 B13R0.198 COC(=O)CCSCC(=O)NC(C)C 62a_100000183996_100000204255 [0,2,0,0,0,0|2,0,0]=4 3049 B13R0.198 COC(=O)CCSCC(=O)NC(C)C 62a_100000204255_100000183996 [0,2,0,0,0,0|2,0,0]=4 3050 B13R0.198 COC(=O)CCSCC(=O)OC(C)C 62a_100000204255_100011215430 [0,2,0,0,0,0|1,0,0]=3 3051 B13R0.198 COC(=O)CCSCC(=O)OC(C)C 62a_100011215430_100000204255 [0,2,0,0,0,0|1,0,0]=3 3052 B13R0.198 COC(=O)COCCC(=O)C=C(C)C 1458a_100000211388_100000090808 [0,2,0,0,0,0|2,0,0]=4 3053 B13R0.198 COC(=O)COCCC(=O)C=C(C)Cl 1458a_200042562850_100000090808 [0,2,0,0,0,0|2,0,0]=4 3054 B13R0.198 COC(=O)COCCC(=O)C=C(C)I 1458a_100025716642_100000090808 [0,2,0,0,0,0|2,0,0]=4 3055 B13R0.198 COC(=O)COCCC(=O)CC(C)C 1458a_100000210554_100000090808 [0,2,0,0,0,0|2,0,0]=4 3056 B13R0.198 COC(=O)COCCC(=O)CN(C)C 1458a_100000750896_100000090808 [0,2,0,0,0,0|2,0,0]=4 3057 B13R0.198 COC(=O)COCCC(=O)C[C@@H](C)O 1458a_100011933948_100000090808 [0,2,0,0,0,0|2,0,0]=4 3058 B13R0.198 COC(=O)COCCC(=O)C[S+](C)C 1458a_200159257847_100000090808 [0,2,0,0,0,0|1,1,0]=4 3059 B13R0.198 COC(=O)CSCCC(=O)NC(C)C 62a_100000737564_100000747449 [0,2,0,0,0,0|2,0,0]=4 3060 B13R0.198 COC(=O)CSCCC(=O)NC(C)C 62a_100000747449_100000737564 [0,2,0,0,0,0|2,0,0]=4 3061 B13R0.198 COC(=O)CSCCC(=O)OC(C)C 62a_100000747449_100000760027 [0,2,0,0,0,0|1,0,0]=3 3062 B13R0.198 COC(=O)CSCCC(=O)OC(C)C 62a_100000760027_100000747449 [0,2,0,0,0,0|1,0,0]=3 3063 B13R0.198 COC(=O)CSCOC(=O)OC(C)C 62a_100000003507_100000747449 [0,2,0,0,0,0|2,0,0]=4 3064 B13R0.198 COC(=O)CSCOC(=O)OC(C)C 62a_100000747449_100000003507 [0,2,0,0,0,0|2,0,0]=4 3065 B13R0.198 COC(=O)NCCCC(=O)CC(C)C 1458a_100000753017_100000210624 [0,2,0,0,0,0|2,0,0]=4 3066 B13R0.198 COC(=O)NCCCC(=O)CC(C)O 1458a_100000753017_100011218427 [0,2,0,0,0,0|2,0,0]=4 3067 B13R0.198 COC(=O)NCCCC(=O)CC(F)F 1458a_100000753017_100011934356 [0,2,0,0,0,0|2,0,0]=4 3068 B13R0.198 COC(=O)NCCCC(=O)NC(C)C 11a_100138425928_100000753017 [0,2,0,0,0,0|2,0,0]=4 3069 B13R0.198 COC(=O)NCCCC(=O)NC(C)C 1626a_100138425928_100000753017 [0,2,0,0,0,0|2,0,0]=4 3070 B13R0.198 COC(=O)NCCCC(=O)NC(C)C 240690a_100138425928_100000753017 [0,2,0,0,0,0|2,0,0]=4 3071 B13R0.198 COC(=O)NCCCC(=O)NC(C)C 527a_100138425928_100000753017 [0,2,0,0,0,0|2,0,0]=4 3072 B13R0.198 COC(=O)OCSCC(=O)OC(C)C 62a_100011215430_100000139417 [0,2,0,0,0,0|2,0,0]=4 3073 B13R0.367 C#CCC(=O)CCCCC(=O)OCC 1458a_100011217402_100000184674 [0,2,0,0,0,0|1,0,1]=4 3074 B13R0.367 C#CCC(=O)CCCCC(=O)OCC 1458a_100011220946_100000750268 [0,2,0,0,0,0|1,0,1]=4 3075 B13R0.367 C=CCC(=O)CCCCC(=O)OCC 1458a_100000210193_100000750268 [0,2,0,0,0,0|1,0,1]=4 3076 B13R0.367 C=CCC(=O)CCCCC(=O)OCC 1458a_100011217402_100000210623 [0,2,0,0,0,0|1,0,1]=4 3077 B13R0.367 C=COC(=O)CSCCC(=O)OCC 62a_100000036128_100000765890 [0,2,0,0,0,0|1,0,1]=4 3078 B13R0.367 C=COC(=O)CSCCC(=O)OCC 62a_100000765890_100000036128 [0,2,0,0,0,0|1,0,1]=4 3079 B13R0.367 CC#CC(=O)CCCCC(=O)OCC 1458a_100000763181_100000750268 [0,2,0,0,0,0|1,0,0]=3 3080 B13R0.367 CC#CC(=O)CCOCC(=O)OCC 1458a_100000763181_100000088970 [0,2,0,0,0,0|2,0,0]=4 3081 B13R0.367 CC=CC(=O)CCCCC(=O)OCC 1458a_100000210699_100000750268 [0,2,0,0,0,0|1,0,0]=3 3082 B13R0.367 CC=CC(=O)CCOCC(=O)OCC 1458a_100000210699_100000088970 [0,2,0,0,0,0|2,0,0]=4 3083 B13R0.367 CC=CC(=O)NCCCC(=O)OCC 188690a_100000211256_100000210699 [0,2,0,0,0,0|2,0,0]=4 3084 B13R0.367 CCCC(=O)CCCCC(=O)OCC 1458a_100000211992_100000750268 [0,2,0,0,0,0|1,0,0]=3 3085 B13R0.367 CCCC(=O)CCCCC(=O)OCC 1458a_100011217402_100000210303 [0,2,0,0,0,0|1,0,0]=3 3086 B13R0.367 CCCC(=O)CCOCC(=O)OCC 1458a_100000211992_100000088970 [0,2,0,0,0,0|2,0,0]=4 3087 B13R0.367 CCCC(=O)CSCCC(=O)OCC 62a_100000747444_100000765890 [0,2,0,0,0,0|2,0,0]=4 3088 B13R0.367 CCCC(=O)CSCCC(=O)OCC 62a_100000765890_100000747444 [0,2,0,0,0,0|2,0,0]=4 3089 B13R0.367 CCCC(=O)NCCCC(=O)OCC 188690a_100000211256_100000211992 [0,2,0,0,0,0|2,0,0]=4 3090 B13R0.367 CCNC(=O)CCCCC(=O)OCC 11a_100015525214_100011217402 [0,2,0,0,0,0|1,0,0]=3 3091 B13R0.367 CCNC(=O)CCCCC(=O)OCC 240690a_100015525214_100011217402 [0,2,0,0,0,0|1,0,0]=3 3092 B13R0.367 CCNC(=O)CCCCC(=O)OCC 527a_100015525214_100011217402 [0,2,0,0,0,0|1,0,0]=3 3093 B13R0.367 CCNC(=O)CCNCC(=O)OCC 34a_100025743525_100000188475 [0,2,0,0,0,0|2,0,0]=4 3094 B13R0.367 CCNC(=O)CCSCC(=O)OCC 62a_100000188475_100000737597 [0,2,0,0,0,0|2,0,0]=4 3095 B13R0.367 CCNC(=O)CCSCC(=O)OCC 62a_100000737597_100000188475 [0,2,0,0,0,0|2,0,0]=4 3096 B13R0.367 CCNC(=O)CNCCC(=O)OCC 2230a_100016988866_100011206558 [0,2,0,0,0,0|2,0,0]=4 3097 B13R0.367 CCNC(=O)CSCCC(=O)OCC 62a_100000183381_100000765890 [0,2,0,0,0,0|2,0,0]=4 3098 B13R0.367 CCNC(=O)CSCCC(=O)OCC 62a_100000765890_100000183381 [0,2,0,0,0,0|2,0,0]=4 3099 B13R0.367 CCOC(=O)CCCCC(=O)C=CBr 1458a_100016273825_100000750268 [0,2,0,0,0,0|1,0,1]=4 3100 B13R0.367 CCOC(=O)CCCCC(=O)C=CCl 1458a_200016279998_100000750268 [0,2,0,0,0,0|1,0,1]=4 3101 B13R0.367 CCOC(=O)CCCCC(=O)C=CI 1458a_100016256311_100000750268 [0,2,0,0,0,0|1,0,1]=4 3102 B13R0.367 CCOC(=O)CCCCC(=O)CC#N 1458a_100011217402_100011214920 [0,2,0,0,0,0|1,0,1]=4 3103 B13R0.367 CCOC(=O)CCCCC(=O)CC#N 1458a_100051588842_100000750268 [0,2,0,0,0,0|1,0,1]=4 3104 B13R0.367 CCOC(=O)CCCCC(=O)CCF 1458a_100011217402_100011217306 [0,2,0,0,0,0|1,0,0]=3 3105 B13R0.367 CCOC(=O)CCCCC(=O)CCO 1458a_100011216618_100000750268 [0,2,0,0,0,0|1,0,0]=3 3106 B13R0.367 CCOC(=O)CCCCC(=O)CCO 1458a_100011217402_100000211926 [0,2,0,0,0,0|1,0,0]=3 3107 B13R0.367 CCOC(=O)CCCCC(=O)COC 1458a_100000210968_100000750268 [0,2,0,0,0,0|0,0,0]=2 3108 B13R0.367 CCOC(=O)CCCCC(=O)CSC 1458a_100000184570_100000750268 [0,2,0,0,0,0|0,1,0]=3 3109 B13R0.367 CCOC(=O)CCCCC(=O)NNC 22a_100016993582_100011217402 [0,2,0,0,0,0|1,0,0]=3 3110 B13R0.367 CCOC(=O)CCCNC(=O)CNC 2230a_106832991635_100000183181 [0,2,0,0,0,0|2,0,0]=4 3111 B13R0.367 CCOC(=O)CCCNC(=O)CNC 34a_100102657272_100000183181 [0,2,0,0,0,0|2,0,0]=4 3112 B13R0.367 CCOC(=O)CCCNC(=O)CNC 7a_106832991635_100000183181 [0,2,0,0,0,0|2,0,0]=4 3113 B13R0.367 CCOC(=O)CCCNC(=O)COC 188690a_100000211256_100000210968 [0,2,0,0,0,0|1,0,0]=3 3114 B13R0.367 CCOC(=O)CCCNC(=O)COC 34a_100138415774_100000183181 [0,2,0,0,0,0|1,0,0]=3 3115 B13R0.367 CCOC(=O)CCCNC(=O)CSC 188690a_100000211256_100000184570 [0,2,0,0,0,0|1,1,0]=4 3116 B13R0.367 CCOC(=O)CCCNC(=O)CSC 62a_100000183181_200000210301 [0,2,0,0,0,0|1,1,0]=4 3117 B13R0.367 CCOC(=O)CCCNC(=O)CSC 62a_200000210301_100000183181 [0,2,0,0,0,0|1,1,0]=4 3118 B13R0.367 CCOC(=O)CCCNC(=O)CS[13CH3] 62a_100000183181_200025704644 [0,2,0,0,0,0|1,1,0]=4 3119 B13R0.367 CCOC(=O)CCCNC(=O)CS[13CH3] 62a_200025704644_100000183181 [0,2,0,0,0,0|1,1,0]=4 3120 B13R0.367 CCOC(=O)CCSCC(=O)NCO 62a_100000185155_100000765890 [0,2,0,0,0,0|2,0,0]=4 3121 B13R0.367 CCOC(=O)CCSCC(=O)NCO 62a_100000765890_100000185155 [0,2,0,0,0,0|2,0,0]=4 3122 B13R0.367 CCOC(=O)CCSCC(=O)OCC 62a_100000188475_100000765890 [0,2,0,0,0,0|1,0,0]=3 3123 B13R0.367 CCOC(=O)CCSCC(=O)OCC 62a_100000765890_100000188475 [0,2,0,0,0,0|1,0,0]=3 3124 B13R0.367 CCOC(=O)COCCC(=O)CCO 1458a_100011216618_100000088970 [0,2,0,0,0,0|2,0,0]=4 3125 B13R0.367 CCOC(=O)COCCC(=O)COC 1458a_100000210968_100000088970 [0,2,0,0,0,0|1,0,0]=3 3126 B13R0.367 CCOC(=O)COCCC(=O)CSC 1458a_100000184570_100000088970 [0,2,0,0,0,0|1,1,0]=4 3127 B13R0.367 CCOC(=O)CSCOC(=O)OCC 62a_100000188475_100000075025 [0,2,0,0,0,0|2,0,0]=4 3128 B11R1.20 CC(=O)NC1CCC(=O)NC1 11a_100000748762_100015343762 [1,0,0,1,0,0|2,0,0]=4 3129 B11R1.20 CC(=O)NC1CCC(=O)NC1 1626a_100000748762_100015343762 [1,0,0,1,0,0|2,0,0]=4 3130 B11R1.20 CC(=O)NC1CCC(=O)NC1 240690a_100000748762_100015343762 [1,0,0,1,0,0|2,0,0]=4 3131 B11R1.20 CC(=O)NC1CCC(=O)NC1 527a_100000748762_100103153847 [1,0,0,1,0,0|2,0,0]=4 3132 B11R1.23 CCC(=O)C1CCNC(=O)C1 1458a_100000132800_100000210202 [1,0,0,1,0,0|2,0,0]=4 3133 B11R1.23 CCC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_100000210202 [1,0,0,1,0,0|2,0,0]=4 3134 B11R1.23 CNC(=O)C1CCNC(=O)C1 11a_106832991635_100000132800 [1,0,0,1,0,0|2,0,0]=4 3135 B11R1.23 CNC(=O)C1CCNC(=O)C1 1626a_100102657272_100000132800 [1,0,0,1,0,0|2,0,0]=4 3136 B11R1.23 CNC(=O)C1CCNC(=O)C1 240690a_100102657272_100000132800 [1,0,0,1,0,0|2,0,0]=4 3137 B11R1.23 CNC(=O)C1CCNC(=O)C1 527a_100102657272_100000132800 [1,0,0,1,0,0|2,0,0]=4 3138 B11R1.23 CNC(=O)[C@H]1CCCC(=O)N1 240690a_100102657272_100000705292 [1,0,0,1,0,0|2,0,0]=4 3139 B11R1.23 CNC(=O)[C@H]1CCCC(=O)N1 527a_100102657272_100000705292 [1,0,0,1,0,0|2,0,0]=4 3140 B11R1.23 COC(=O)[C@H]1CCCN(C1)C 2230a_100016988859_200000210301 [1,0,0,1,0,0|2,0,0]=4 3141 B11R1.23 COC(=O)[C@H]1CCCN(C1)C 269982a_100016988859_200000210301 [1,0,0,1,0,0|2,0,0]=4 3142 B11R1.23 COC(=O)[C@H]1CCCN(C1)[13CH3] 2230a_100016988859_200025704644 [1,0,0,1,0,0|2,0,0]=4 3143 B11R1.23 COC(=O)[C@H]1CCCN(C1)[13CH3] 269982a_100016988859_200025704644 [1,0,0,1,0,0|2,0,0]=4 3144 B11R1.39 CCC(=O)CC1CCC(=O)N1 1458a_100000026770_100000210202 [1,0,0,1,0,0|2,0,0]=4 3145 B11R1.39 CCC(=O)CC1CNC(=O)O1 1458a_100000210414_100000181169 [1,0,0,1,0,0|2,0,0]=4 3146 B11R1.39 CCC(=O)CC1COC(=O)O1 1458a_100000210414_100000073702 [1,0,0,1,0,0|2,0,0]=4 3147 B11R1.39 CCC(=O)C[C@@H]1CCC(=O)N1 1458a_100000210414_100015189358 [1,0,0,1,0,0|2,0,0]=4 3148 B11R1.39 CNC(=O)CC1CCC(=O)N1 1626a_100102657272_100000026770 [1,0,0,1,0,0|2,0,0]=4 3149 B11R1.39 CNC(=O)CC1CCC(=O)N1 240690a_100102657272_100000026770 [1,0,0,1,0,0|2,0,0]=4 3150 B11R1.39 COC(=O)CN1CNC(=O)C1 2230a_200000708111_100000747449 [1,0,0,1,0,0|2,0,0]=4 3151 B11R1.39 COC(=O)C[C@H]1CCN(C1)C 2230a_100020634416_200000210301 [1,0,0,1,0,0|2,0,0]=4 3152 B11R1.39 COC(=O)C[C@H]1CCN(C1)C 269982a_100020634416_200000210301 [1,0,0,1,0,0|2,0,0]=4 3153 B11R1.39 COC(=O)C[C@H]1CCN(C1)[13CH3] 2230a_100020634416_200025704644 [1,0,0,1,0,0|2,0,0]=4 3154 B11R1.39 COC(=O)C[C@H]1CCN(C1)[13CH3] 269982a_100020634416_200025704644 [1,0,0,1,0,0|2,0,0]=4 3155 B11R1.75 CC(=O)CCC1COS(=O)O1 1458a_100000070787_100009840081 [1,0,0,1,0,0|2,0,0]=4 3156 B11R1.75 CC(=O)COC1COC(=O)O1 34a_100000211253_100000032252 [1,0,0,1,0,0|2,0,0]=4 3157 B11R1.75 CC(=O)NCC1CNC(=O)C1 11a_100016993742_100015343762 [1,0,0,1,0,0|2,0,0]=4 3158 B11R1.75 CC(=O)NCC1CNC(=O)C1 1626a_100016993742_100015343762 [1,0,0,1,0,0|2,0,0]=4 3159 B11R1.75 CC(=O)NCC1CNC(=O)C1 240690a_100016993742_100015343762 [1,0,0,1,0,0|2,0,0]=4 3160 B11R1.75 CC(=O)NCC1CNC(=O)C1 527a_100016993742_100103153847 [1,0,0,1,0,0|2,0,0]=4 3161 B11R1.161 CC(=O)CCOC1CCC1=O 34a_100000759926_100009892977 [1,0,0,1,0,0|2,0,0]=4 3162 B11R1.161 CC(=O)CCOC1CCC1=O 7a_100000759926_100009892977 [1,0,0,1,0,0|2,0,0]=4 3163 B11R1.161 CC(=O)CCSC1CCC1=O 62a_100000053229_100009892977 [1,0,0,1,0,0|2,0,0]=4 3164 B11R1.161 CC(=O)CCSC1CCC1=O 62a_100009892977_100000053229 [1,0,0,1,0,0|2,0,0]=4 3165 B11R1.224 C=C1CC(C1)NCC(=O)OC 2230a_100132301982_100000747449 [1,0,0,1,0,0|2,0,0]=4 3166 B11R1.224 CCC(=O)CSC1CC(=O)C1 62a_100009894365_100000747405 [1,0,0,1,0,0|2,0,0]=4 3167 B11R1.224 CNC(=O)CSC1CC(=O)C1 62a_100009894365_100000183359 [1,0,0,1,0,0|2,0,0]=4 3168 B11R1.224 COC(=O)CSC1CC(=O)C1 62a_100009894365_100000747449 [1,0,0,1,0,0|1,0,0]=3 3169 B11R1.266 COC1CCCC(C1)C(=O)C 1458a_100011215561_200000210301 [1,0,0,1,0,0|1,0,1]=4 3170 B11R1.266 COC1CCCC(C1)C(=O)[13CH3] 1458a_100011215561_200025704644 [1,0,0,1,0,0|1,0,1]=4 3171 B11R1.849 C=C(C)CN1CC1C(=O)OC 2230a_200009830135_100000748629 [1,0,0,1,0,0|2,0,0]=4 3172 B11R1.849 COC(=O)C1CN1CC(=O)N 2230a_200009830135_100000747473 [1,0,0,1,0,0|2,0,0]=4 3173 B11R1.870 CCC(=O)[C@@H]1CCN1C(=O)C 1458a_200015362969_100000210202 [1,0,0,1,0,0|2,0,0]=4 3174 B11R1.870 CNC(=O)[C@@H]1CCN1C(=O)C 11a_106832991635_200015362969 [1,0,0,1,0,0|2,0,0]=4 3175 B11R1.870 CNC(=O)[C@@H]1CCN1C(=O)C 1626a_100102657272_200015362969 [1,0,0,1,0,0|2,0,0]=4 3176 B11R1.870 CNC(=O)[C@@H]1CCN1C(=O)C 240690a_100102657272_200015362969 [1,0,0,1,0,0|2,0,0]=4 3177 B11R1.870 CNC(=O)[C@@H]1CCN1C(=O)C 527a_100102657272_200015362969 [1,0,0,1,0,0|2,0,0]=4 3178 B11R1.870 COC(=O)[C@@H]1CCN1C(=O)C 11a_102516456887_100015343762 [1,0,0,1,0,0|1,0,0]=3 3179 B11R1.870 COC(=O)[C@@H]1CCN1C(=O)C 1626a_102516456887_100015343762 [1,0,0,1,0,0|1,0,0]=3 3180 B11R1.870 COC(=O)[C@@H]1CCN1C(=O)C 240690a_102516456887_100015343762 [1,0,0,1,0,0|1,0,0]=3 3181 B11R1.870 COC(=O)[C@@H]1CCN1C(=O)C 527a_102516456887_100103153847 [1,0,0,1,0,0|1,0,0]=3 3182 B11R1.870 COC(=O)[C@@H]1CC[C@@H]1C(=O)C 1458a_100009908320_200000210301 [1,0,0,1,0,0|0,0,0]=2 3183 B11R1.870 COC(=O)[C@@H]1CC[C@@H]1C(=O)[13CH3] 1458a_100009908320_200025704644 [1,0,0,1,0,0|0,0,0]=2 3184 B11R1.25 COC(=O)CCN1CC=CC1 269982a_100015195280_100000204255 [1,0,0,1,0,0|2,0,0]=4 3185 B11R1.25 COC(=O)CNC1CC=CC1 2230a_100015188752_100000747449 [1,0,0,1,0,0|2,0,0]=4 3186 B11R1.25 COC(=O)CN[C@@H]1CCOC1 2230a_200015188469_100000747449 [1,0,0,1,0,0|1,0,1]=4 3187 B11R1.25 COC(=O)CN[C@H]1CCOC1 2230a_100015188467_100000747449 [1,0,0,1,0,0|1,0,1]=4 3188 B11R1.25 COC(=O)CN[C@H]1CCOC1 34a_100015188467_100000747449 [1,0,0,1,0,0|1,0,1]=4 3189 B11R1.25 COC(=O)CO[C@H]1CCOC1 34a_100000717292_100000747449 [1,0,0,1,0,0|1,0,1]=4 3190 B11R1.25 COC(=O)CSC1CCOC1 62a_100000747449_100000690089 [1,0,0,1,0,0|1,0,1]=4 3191 B11R1.40 CCC(=O)CC1CCCOC1 1458a_100000210414_100000741521 [1,0,0,1,0,0|1,0,1]=4 3192 B11R1.40 CCC(=O)CC1CCCOC1 1458a_100000741523_100000210202 [1,0,0,1,0,0|1,0,1]=4 3193 B11R1.40 CNC(=O)CC1CCCOC1 11a_106832991635_100000741523 [1,0,0,1,0,0|1,0,1]=4 3194 B11R1.40 CNC(=O)CC1CCCOC1 1626a_100102657272_100000741523 [1,0,0,1,0,0|1,0,1]=4 3195 B11R1.40 CNC(=O)CC1CCCOC1 240690a_100102657272_100000741523 [1,0,0,1,0,0|1,0,1]=4 3196 B11R1.40 CNC(=O)CC1CCCOC1 527a_100102657272_100000741523 [1,0,0,1,0,0|1,0,1]=4 3197 B11R1.40 COC(=O)CN1CC=CCC1 2230a_100000698166_100000747449 [1,0,0,1,0,0|2,0,0]=4 3198 B11R1.40 COC(=O)CN1CC=CCC1 269982a_100000698166_100000747449 [1,0,0,1,0,0|2,0,0]=4 3199 B11R1.40 COC(=O)CN1CC=CCC1 34a_100000698166_100000747449 [1,0,0,1,0,0|2,0,0]=4 3200 B11R1.40 COC(=O)CN1CCCOC1 2230a_100000131196_100000747449 [1,0,0,1,0,0|1,0,1]=4 3201 B11R1.40 COC(=O)CN1CCCOC1 269982a_100000131196_100000747449 [1,0,0,1,0,0|1,0,1]=4 3202 B11R1.40 COC(=O)CN1CCCOC1 34a_100000131196_100000747449 [1,0,0,1,0,0|1,0,1]=4 3203 B11R1.59 CCN1CCC[C@H]1C(=O)OC 2230a_100000752040_100000210202 [1,0,0,1,0,0|2,0,0]=4 3204 B11R1.59 CCN1CCC[C@H]1C(=O)OC 269982a_100000752040_100000204670 [1,0,0,1,0,0|2,0,0]=4 3205 B11R1.59 COC(=O)C1CCCC1OC 34a_200000081814_200000210301 [1,0,0,1,0,0|0,0,1]=3 3206 B11R1.59 COC(=O)C1CCCC1OC 7a_200000081814_200000210301 [1,0,0,1,0,0|0,0,1]=3 3207 B11R1.59 COC(=O)C1CCCC1O[13CH3] 34a_200000081814_200025704644 [1,0,0,1,0,0|0,0,1]=3 3208 B11R1.59 COC(=O)C1CCCC1O[13CH3] 7a_200000081814_200025704644 [1,0,0,1,0,0|0,0,1]=3 3209 B11R1.115 COCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000766300 [1,0,0,1,0,0|1,0,1]=4 3210 B11R1.115 COCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000766300 [1,0,0,1,0,0|1,0,1]=4 3211 B11R1.218 CC=CCN1CC1C(=O)OC 2230a_200009830135_100000070051 [1,0,0,1,0,0|2,0,0]=4 3212 B11R1.218 COCCN1CC1C(=O)OC 2230a_200009830135_100011201679 [1,0,0,1,0,0|1,0,1]=4 3213 B11R1.222 COC(=O)C1CCCCN1C 2230a_100000734855_200000210301 [1,0,0,1,0,0|1,0,1]=4 3214 B11R1.222 COC(=O)C1CCCCN1C 269982a_100000734855_200000210301 [1,0,0,1,0,0|1,0,1]=4 3215 B11R1.222 COC(=O)C1CCCCN1C 34a_100000734855_200000210301 [1,0,0,1,0,0|1,0,1]=4 3216 B11R1.222 COC(=O)C1CCCCN1[13CH3] 2230a_100000734855_200025704644 [1,0,0,1,0,0|1,0,1]=4 3217 B11R1.222 COC(=O)C1CCCCN1[13CH3] 269982a_100000734855_200025704644 [1,0,0,1,0,0|1,0,1]=4 3218 B11R1.222 COC(=O)C1CCCCN1[13CH3] 34a_100000734855_200025704644 [1,0,0,1,0,0|1,0,1]=4 3219 B11R1.228 COC(=O)C[C@H]1CCCN1C 2230a_100025726698_200000210301 [1,0,0,1,0,0|1,0,1]=4 3220 B11R1.228 COC(=O)C[C@H]1CCCN1C 269982a_100025726698_200000210301 [1,0,0,1,0,0|1,0,1]=4 3221 B11R1.228 COC(=O)C[C@H]1CCCN1C 34a_100025726698_200000210301 [1,0,0,1,0,0|1,0,1]=4 3222 B11R1.228 COC(=O)C[C@H]1CCCN1[13CH3] 2230a_100025726698_200025704644 [1,0,0,1,0,0|1,0,1]=4 3223 B11R1.228 COC(=O)C[C@H]1CCCN1[13CH3] 269982a_100025726698_200025704644 [1,0,0,1,0,0|1,0,1]=4 3224 B11R1.228 COC(=O)C[C@H]1CCCN1[13CH3] 34a_100025726698_200025704644 [1,0,0,1,0,0|1,0,1]=4 3225 B11R1.236 COC(=O)CCNC1COC1 2230a_100016991112_100000204255 [1,0,0,1,0,0|1,0,1]=4 3226 B11R1.236 COC(=O)CCSC1COC1 62a_100000204255_100009818527 [1,0,0,1,0,0|1,0,1]=4 3227 B11R1.236 COC(=O)CNCC1COC1 2230a_100015281925_100000747449 [1,0,0,1,0,0|1,0,1]=4 3228 B11R1.236 COC(=O)CNCC1COC1 34a_100015281925_100000747449 [1,0,0,1,0,0|1,0,1]=4 3229 B11R1.236 COC(=O)COCC1COC1 34a_100000060846_100000747449 [1,0,0,1,0,0|1,0,1]=4 3230 B11R1.236 COC(=O)CSCC1COC1 62a_100000747449_100010264016 [1,0,0,1,0,0|1,0,1]=4 3231 B11R1.236 COC(=O)CSCC1COC1 62a_100010264016_100000747449 [1,0,0,1,0,0|1,0,1]=4 3232 B11R1.22 CCC(=O)C1CCC(=O)NC1 1458a_100000740907_100000210202 [0,0,0,1,1,0|2,0,0]=4 3233 B11R1.22 CNC(=O)C1CCC(=O)NC1 11a_106832991635_100000740907 [0,0,0,1,1,0|2,0,0]=4 3234 B11R1.22 CNC(=O)C1CCC(=O)NC1 1626a_100102657272_100000740907 [0,0,0,1,1,0|2,0,0]=4 3235 B11R1.22 CNC(=O)C1CCC(=O)NC1 240690a_100102657272_100000740907 [0,0,0,1,1,0|2,0,0]=4 3236 B11R1.22 CNC(=O)C1CCC(=O)NC1 527a_100102657272_100000740907 [0,0,0,1,1,0|2,0,0]=4 3237 B11R1.44 COC(=O)C1CCC(C1)OC 34a_100010257243_200000210301 [0,0,0,1,1,0|1,0,1]=4 3238 B11R1.44 COC(=O)C1CCC(C1)OC 7a_100010257243_200000210301 [0,0,0,1,1,0|1,0,1]=4 3239 B11R1.44 COC(=O)C1CCC(C1)O[13CH3] 34a_100010257243_200025704644 [0,0,0,1,1,0|1,0,1]=4 3240 B11R1.44 COC(=O)C1CCC(C1)O[13CH3] 7a_100010257243_200025704644 [0,0,0,1,1,0|1,0,1]=4 3241 B11R1.851 CCC(=O)C1CC1C(=O)OC 1458a_100000750770_100000210202 [0,0,0,1,1,0|1,0,0]=3 3242 B11R1.851 CCC(=O)N1CC1C(=O)OC 240690a_200009830135_100000210414 [0,0,0,1,1,0|2,0,0]=4 3243 B11R1.851 CNC(=O)C1CC1C(=O)OC 11a_106832991635_100000750770 [0,0,0,1,1,0|1,0,0]=3 3244 B11R1.851 CNC(=O)C1CC1C(=O)OC 240690a_100102657272_100000750770 [0,0,0,1,1,0|1,0,0]=3 3245 B11R1.851 COC(=O)C1CC1C(=O)CF 1458a_100000750770_100015361967 [0,0,0,1,1,0|2,0,0]=4 3246 B11R1.865 CCC(=O)[C@H]1CCC(=O)N1C 1458a_100010979499_100000210202 [0,0,0,1,1,0|2,0,0]=4 3247 B11R1.865 CNC(=O)[C@H]1CCC(=O)N1C 11a_106832991635_100010979499 [0,0,0,1,1,0|2,0,0]=4 3248 B11R1.865 CNC(=O)[C@H]1CCC(=O)N1C 1626a_100102657272_100010979499 [0,0,0,1,1,0|2,0,0]=4 3249 B11R1.865 CNC(=O)[C@H]1CCC(=O)N1C 240690a_100102657272_100010979499 [0,0,0,1,1,0|2,0,0]=4 3250 B11R1.865 CNC(=O)[C@H]1CCC(=O)N1C 527a_100102657272_100010979499 [0,0,0,1,1,0|2,0,0]=4 3251 B13R1.14 C=C1CCN(CC1)CCC(=O)OC 2230a_100000752442_100000204255 [0,0,0,1,0,1|2,0,0]=4 3252 B13R1.14 C=C1CCN(CC1)CCC(=O)OC 269982a_100000752442_100000204255 [0,0,0,1,0,1|2,0,0]=4 3253 B13R1.14 C=C1CCN(CC1)CCC(=O)OC 34a_100000752442_100000742370 [0,0,0,1,0,1|2,0,0]=4 3254 B13R1.14 CCC(=O)COC1CCC(=O)CC1 7a_100000764474_100000747405 [0,0,0,1,0,1|2,0,0]=4 3255 B13R1.14 CNC(=O)CNC1CCC(=O)NC1 2230a_100000748762_100000183359 [0,0,0,1,0,1|2,0,0]=4 3256 B13R1.14 CNC(=O)CNC1CCC(=O)NC1 34a_100000748762_100000183359 [0,0,0,1,0,1|2,0,0]=4 3257 B13R1.14 CNC(=O)COC1CCC(=O)CC1 34a_100000764474_100000183359 [0,0,0,1,0,1|2,0,0]=4 3258 B13R1.14 CNC(=O)COC1CCC(=O)CC1 7a_100000764474_100000183359 [0,0,0,1,0,1|2,0,0]=4 3259 B13R1.14 CNC(=O)COC1CCC(=O)NC1 34a_100000079199_100000183359 [0,0,0,1,0,1|2,0,0]=4 3260 B13R1.14 COC(=O)CCN1CC=C(CC1)C 2230a_100000693516_100000204255 [0,0,0,1,0,1|2,0,0]=4 3261 B13R1.14 COC(=O)CCN1CC=C(CC1)C 269982a_100000693516_100000204255 [0,0,0,1,0,1|2,0,0]=4 3262 B13R1.14 COC(=O)CCN1CC=C(CC1)C 34a_100000693516_100000742370 [0,0,0,1,0,1|2,0,0]=4 3263 B13R1.14 COC(=O)CCN1CCS(=O)CC1 2230a_100000752083_100000204255 [0,0,0,1,0,1|2,0,0]=4 3264 B13R1.14 COC(=O)CCN1CCS(=O)CC1 269982a_100000752083_100000204255 [0,0,0,1,0,1|2,0,0]=4 3265 B13R1.14 COC(=O)CNC1CCC(=O)NC1 2230a_100000748762_100000747449 [0,0,0,1,0,1|1,0,0]=3 3266 B13R1.14 COC(=O)CNC1CCC(=O)NC1 34a_100000748762_100000747449 [0,0,0,1,0,1|1,0,0]=3 3267 B13R1.14 COC(=O)COC1CCC(=O)CC1 34a_100000764474_100000747449 [0,0,0,1,0,1|1,0,0]=3 3268 B13R1.14 COC(=O)COC1CCC(=O)CC1 7a_100000764474_100000747449 [0,0,0,1,0,1|1,0,0]=3 3269 B13R1.14 COC(=O)COC1CCC(=O)NC1 34a_100000079199_100000747449 [0,0,0,1,0,1|1,0,0]=3 3270 B13R1.14 COC(=O)COC1CNC(=O)NC1 34a_100000080929_100000747449 [0,0,0,1,0,1|2,0,0]=4 3271 B13R1.40 COC(=O)CN1CCNC(=O)C1C 2230a_100000750721_100000747449 [0,0,0,1,0,1|2,0,0]=4 3272 B13R1.40 COC(=O)CN1CCNC(=O)C1C 269982a_100000750721_100000747449 [0,0,0,1,0,1|2,0,0]=4 3273 B13R1.40 COC(=O)CN1CCNC(=O)C1C 34a_100000750721_100000747449 [0,0,0,1,0,1|2,0,0]=4 3274 B13R1.61 COC(=O)CCN1CC[C@H](C1)OC 2230a_100000766984_100000204255 [0,0,0,1,0,1|1,0,1]=4 3275 B13R1.61 COC(=O)CCN1CC[C@H](C1)OC 269982a_100000766984_100000204255 [0,0,0,1,0,1|1,0,1]=4 3276 B13R1.81 COC(=O)CC1CCCC(C1)OC 7a_200010992784_200000210301 [0,0,0,1,0,1|1,0,1]=4 3277 B13R1.81 COC(=O)CC1CCCC(C1)O[13CH3] 7a_200010992784_200025704644 [0,0,0,1,0,1|1,0,1]=4 3278 B13R1.81 COC(=O)CN1CCCC(C1)OC 2230a_100000695604_100000747449 [0,0,0,1,0,1|1,0,1]=4 3279 B13R1.81 COC(=O)CN1CCCC(C1)OC 269982a_100000695604_100000747449 [0,0,0,1,0,1|1,0,1]=4 3280 B13R1.81 COC(=O)CN1CCCC(C1)OC 34a_100000695604_100000747449 [0,0,0,1,0,1|1,0,1]=4 3281 B13R1.539 COC(=O)CCCNC[C@@H]1CCO1 2230a_100020831831_100011218270 [0,0,0,1,0,1|1,0,1]=4 3282 B13R1.539 COC(=O)CCCNC[C@@H]1CCO1 34a_100020831831_100000742333 [0,0,0,1,0,1|1,0,1]=4 3283 B13R1.539 COC(=O)CCCOCC1CCO1 34a_100000039022_100000742333 [0,0,0,1,0,1|1,0,1]=4 3284 B13R1.539 COC(=O)CCCSCC1CCO1 62a_100000103362_100011218270 [0,0,0,1,0,1|1,0,1]=4 3285 B13R1.539 COC(=O)CCCSCC1CCO1 62a_100011218270_100000103362 [0,0,0,1,0,1|1,0,1]=4 3286 B13R1.553 C=CC(=O)N1CCC[C@H]1C(=O)OC 1626a_100000752040_100000185746 [0,0,0,1,0,1|1,0,1]=4 3287 B13R1.553 C=CC(=O)N1CCC[C@H]1C(=O)OC 240690a_100000752040_200121576911 [0,0,0,1,0,1|1,0,1]=4 3288 B13R1.553 CCC(=O)C1CCCN1C(=O)CC 1458a_200000194913_100000210202 [0,0,0,1,0,1|2,0,0]=4 3289 B13R1.553 CCC(=O)N1CCCC1C(=O)NC 11a_106832991635_200000194913 [0,0,0,1,0,1|2,0,0]=4 3290 B13R1.553 CCC(=O)N1CCCC1C(=O)NC 1626a_100102657272_200000194913 [0,0,0,1,0,1|2,0,0]=4 3291 B13R1.553 CCC(=O)N1CCCC1C(=O)NC 240690a_100102657272_200000194913 [0,0,0,1,0,1|2,0,0]=4 3292 B13R1.553 CCC(=O)N1CCCC1C(=O)NC 527a_100102657272_200000194913 [0,0,0,1,0,1|2,0,0]=4 3293 B13R1.553 CCC(=O)N1CCC[C@H]1C(=O)NC 11a_100015185040_100000210414 [0,0,0,1,0,1|2,0,0]=4 3294 B13R1.553 CCC(=O)N1CCC[C@H]1C(=O)NC 1626a_100015185040_100000210414 [0,0,0,1,0,1|2,0,0]=4 3295 B13R1.553 CCC(=O)N1CCC[C@H]1C(=O)NC 240690a_100015185040_100000210414 [0,0,0,1,0,1|2,0,0]=4 3296 B13R1.553 CCC(=O)N1CCC[C@H]1C(=O)NC 527a_100015185040_100000210414 [0,0,0,1,0,1|2,0,0]=4 3297 B13R1.553 CCC(=O)N1CCC[C@H]1C(=O)OC 11a_100000752040_100000210414 [0,0,0,1,0,1|1,0,0]=3 3298 B13R1.553 CCC(=O)N1CCC[C@H]1C(=O)OC 1626a_100000752040_100000210414 [0,0,0,1,0,1|1,0,0]=3 3299 B13R1.553 CCC(=O)N1CCC[C@H]1C(=O)OC 240690a_100000752040_100000210414 [0,0,0,1,0,1|1,0,0]=3 3300 B13R1.553 CCC(=O)N1CCC[C@H]1C(=O)OC 527a_100000752040_100000210414 [0,0,0,1,0,1|1,0,0]=3 3301 B13R1.553 CCC(=O)N1CCSC1C(=O)OC 11a_100015296106_100000210414 [0,0,0,1,0,1|2,0,0]=4 3302 B13R1.553 CCC(=O)N1CCSC1C(=O)OC 240690a_100015296106_100000210414 [0,0,0,1,0,1|2,0,0]=4 3303 B13R1.553 CCC(=O)N1CCSC1C(=O)OC 527a_100015296106_100000210414 [0,0,0,1,0,1|2,0,0]=4 3304 B13R1.553 CCC(=O)N1CSCC1C(=O)OC 11a_200000724679_100000210414 [0,0,0,1,0,1|2,0,0]=4 3305 B13R1.553 CCC(=O)N1CSCC1C(=O)OC 240690a_200000724679_100000210414 [0,0,0,1,0,1|2,0,0]=4 3306 B13R1.553 CNC(=O)N1CCC[C@H]1C(=O)OC 273464a_100102657272_100000752040 [0,0,0,1,0,1|1,0,0]=3 3307 B13R1.553 CNC(=O)N1CSCC1C(=O)OC 273464a_100102657272_200000724679 [0,0,0,1,0,1|2,0,0]=4 3308 B13R1.553 CNC(=O)[C@@H]1CCCN1C(=O)NC 2708a_100102657272_100015185040 [0,0,0,1,0,1|2,0,0]=4 3309 B13R1.553 CNC(=O)[C@@H]1CCCN1C(=O)NC 273464a_100102657272_100015185040 [0,0,0,1,0,1|2,0,0]=4 3310 B13R1.553 COC(=O)[C@@H]1CCCN1C(=O)CO 240690a_100000752040_100000210174 [0,0,0,1,0,1|2,0,0]=4 3311 B13R1.553 COC(=O)[C@@H]1CCCN1C(=O)CO 527a_100000752040_100000210174 [0,0,0,1,0,1|2,0,0]=4 3312 B13R1.553 COC(=O)[C@@H]1CCCN1C(C)OC 269982a_100000752040_100009879195 [0,0,0,1,0,1|1,0,1]=4 3313 B13R1.595 CCC(=O)CSCCC1CCC1=O 62a_100000747405_200016118888 [0,0,0,1,0,1|2,0,0]=4 3314 B13R1.595 CCC(=O)CSCCC1CCC1=O 62a_200016118888_100000747405 [0,0,0,1,0,1|2,0,0]=4 3315 B13R1.595 CNC(=O)CCCNC1CCC1=O 34a_100000740002_100009892977 [0,0,0,1,0,1|2,0,0]=4 3316 B13R1.595 CNC(=O)CCCSC1CCC1=O 62a_100000741757_100009892977 [0,0,0,1,0,1|2,0,0]=4 3317 B13R1.595 CNC(=O)CCCSC1CCC1=O 62a_100009892977_100000741757 [0,0,0,1,0,1|2,0,0]=4 3318 B13R1.595 CNC(=O)CNCCC1CCC1=O 2230a_100000693194_200016118888 [0,0,0,1,0,1|2,0,0]=4 3319 B13R1.595 CNC(=O)CSCCC1CCC1=O 62a_100000183359_200016118888 [0,0,0,1,0,1|2,0,0]=4 3320 B13R1.595 CNC(=O)CSCCC1CCC1=O 62a_200016118888_100000183359 [0,0,0,1,0,1|2,0,0]=4 3321 B13R1.595 COC(=O)CCCSC1CCC1=O 62a_100009892977_100011218270 [0,0,0,1,0,1|1,0,0]=3 3322 B13R1.595 COC(=O)CCCSC1CCC1=O 62a_100011218270_100009892977 [0,0,0,1,0,1|1,0,0]=3 3323 B13R1.595 COC(=O)CSCCC1CCC1=O 62a_100000747449_200016118888 [0,0,0,1,0,1|1,0,0]=3 3324 B13R1.595 COC(=O)CSCCC1CCC1=O 62a_200016118888_100000747449 [0,0,0,1,0,1|1,0,0]=3 3325 B13R1.595 COC(=O)NCCOC1CCC1=O 34a_100000757965_100009892977 [0,0,0,1,0,1|2,0,0]=4 3326 B13R1.595 COC(=O)OCCOC1CCC1=O 34a_100010262106_100009892977 [0,0,0,1,0,1|2,0,0]=4 3327 B13R1.717 CCC(=O)COCC1COC(=O)O1 34a_100000725409_100000073702 [0,0,0,1,0,1|2,0,0]=4 3328 B13R1.717 CCC(=O)COC[C@H]1COC(=O)N1 34a_100000725409_100015307671 [0,0,0,1,0,1|2,0,0]=4 3329 B13R1.717 CCC(=O)CSCC1COC(=O)O1 62a_100000073702_100000747405 [0,0,0,1,0,1|2,0,0]=4 3330 B13R1.717 CCC(=O)CSCC1COC(=O)O1 62a_100000747405_100000073702 [0,0,0,1,0,1|2,0,0]=4 3331 B13R1.717 CCC(=O)CSC[C@H]1COC(=O)N1 62a_100000747405_100015307671 [0,0,0,1,0,1|2,0,0]=4 3332 B13R1.717 CCC(=O)CSC[C@H]1COC(=O)N1 62a_100015307671_100000747405 [0,0,0,1,0,1|2,0,0]=4 3333 B13R1.717 CNC(=O)CCCN1CNC(=O)C1 2230a_200000708111_100000741757 [0,0,0,1,0,1|2,0,0]=4 3334 B13R1.717 CNC(=O)CCNC1CNC(=O)C1 2230a_100000697751_100000737683 [0,0,0,1,0,1|2,0,0]=4 3335 B13R1.717 CNC(=O)CCNC1COC(=O)O1 34a_100000738227_100000032252 [0,0,0,1,0,1|2,0,0]=4 3336 B13R1.717 CNC(=O)CCOC1CCC(=O)C1 34a_100012614533_100012179268 [0,0,0,1,0,1|2,0,0]=4 3337 B13R1.717 CNC(=O)CCOC1CNC(=O)C1 34a_100000690082_100012179268 [0,0,0,1,0,1|2,0,0]=4 3338 B13R1.717 CNC(=O)CCOC1COC(=O)O1 34a_100000754576_100000032252 [0,0,0,1,0,1|2,0,0]=4 3339 B13R1.717 CNC(=O)CCSC1COC(=O)O1 62a_100000737683_100000032252 [0,0,0,1,0,1|2,0,0]=4 3340 B13R1.717 CNC(=O)CNCC1CNC(=O)C1 2230a_100016993742_100000183359 [0,0,0,1,0,1|2,0,0]=4 3341 B13R1.717 CNC(=O)CNCC1CNC(=O)C1 34a_100016993742_100000183359 [0,0,0,1,0,1|2,0,0]=4 3342 B13R1.717 CNC(=O)CNC[C@H]1COC(=O)N1 2230a_100000693194_100015307671 [0,0,0,1,0,1|2,0,0]=4 3343 B13R1.717 CNC(=O)COCC1CNC(=O)C1 34a_100016041077_100000183359 [0,0,0,1,0,1|2,0,0]=4 3344 B13R1.717 CNC(=O)COCC1COC(=O)O1 34a_100000750040_100000073702 [0,0,0,1,0,1|2,0,0]=4 3345 B13R1.717 CNC(=O)COC[C@H]1COC(=O)N1 34a_100000750040_100015307671 [0,0,0,1,0,1|2,0,0]=4 3346 B13R1.717 CNC(=O)CSCC1COC(=O)O1 62a_100000073702_100000183359 [0,0,0,1,0,1|2,0,0]=4 3347 B13R1.717 CNC(=O)CSCC1COC(=O)O1 62a_100000183359_100000073702 [0,0,0,1,0,1|2,0,0]=4 3348 B13R1.717 CNC(=O)CSC[C@H]1COC(=O)N1 62a_100000183359_100015307671 [0,0,0,1,0,1|2,0,0]=4 3349 B13R1.717 CNC(=O)CSC[C@H]1COC(=O)N1 62a_100015307671_100000183359 [0,0,0,1,0,1|2,0,0]=4 3350 B13R1.717 COC(=O)CCCN1CNC(=O)C1 2230a_200000708111_100011218270 [0,0,0,1,0,1|1,0,0]=3 3351 B13R1.717 COC(=O)CCNC1CNC(=O)C1 2230a_100000697751_100000204255 [0,0,0,1,0,1|1,0,0]=3 3352 B13R1.717 COC(=O)CCOC1CCC(=O)C1 34a_100012614533_100000742370 [0,0,0,1,0,1|1,0,0]=3 3353 B13R1.717 COC(=O)CCOC1CNC(=O)C1 34a_100000690082_100000742370 [0,0,0,1,0,1|1,0,0]=3 3354 B13R1.717 COC(=O)CCSC1COC(=O)O1 62a_100000204255_100000032252 [0,0,0,1,0,1|1,0,0]=3 3355 B13R1.717 COC(=O)CNCC1CNC(=O)C1 2230a_100016993742_100000747449 [0,0,0,1,0,1|1,0,0]=3 3356 B13R1.717 COC(=O)CNCC1CNC(=O)C1 34a_100016993742_100000747449 [0,0,0,1,0,1|1,0,0]=3 3357 B13R1.717 COC(=O)CNC[C@H]1CCC(=O)N1 2230a_100015423886_100000747449 [0,0,0,1,0,1|2,0,0]=4 3358 B13R1.717 COC(=O)CNC[C@H]1CCC(=O)N1 34a_100015423886_100000747449 [0,0,0,1,0,1|2,0,0]=4 3359 B13R1.717 COC(=O)COCC1CCC(=O)N1 34a_100000737831_100000747449 [0,0,0,1,0,1|2,0,0]=4 3360 B13R1.717 COC(=O)COCC1CNC(=O)C1 34a_100016041077_100000747449 [0,0,0,1,0,1|1,0,0]=3 3361 B13R1.717 COC(=O)COCC1CNC(=O)O1 34a_100011315639_100000747449 [0,0,0,1,0,1|2,0,0]=4 3362 B13R1.717 COC(=O)CSCC1=CC(=O)OC1 62a_100000716558_100000747449 [0,0,0,1,0,1|0,0,2]=4 3363 B13R1.717 COC(=O)CSCC1=CC(=O)OC1 62a_100000747449_100000716558 [0,0,0,1,0,1|0,0,2]=4 3364 B13R1.717 COC(=O)CSCC1CNC(=O)O1 62a_100000181169_100000747449 [0,0,0,1,0,1|2,0,0]=4 3365 B13R1.717 COC(=O)CSCC1CNC(=O)O1 62a_100000747449_100000181169 [0,0,0,1,0,1|2,0,0]=4 3366 B13R1.717 COC(=O)CSCC1COC(=O)O1 62a_100000073702_100000747449 [0,0,0,1,0,1|1,0,0]=3 3367 B13R1.717 COC(=O)CSCC1COC(=O)O1 62a_100000747449_100000073702 [0,0,0,1,0,1|1,0,0]=3 3368 B13R1.717 COC(=O)CSC[C@@H]1CCC(=O)N1 62a_100000747449_100015189358 [0,0,0,1,0,1|2,0,0]=4 3369 B13R1.717 COC(=O)CSC[C@@H]1CCC(=O)N1 62a_100015189358_100000747449 [0,0,0,1,0,1|2,0,0]=4 3370 B13R1.717 COC(=O)CSC[C@H]1COC(=O)N1 62a_100000747449_100015307671 [0,0,0,1,0,1|1,0,0]=3 3371 B13R1.717 COC(=O)CSC[C@H]1COC(=O)N1 62a_100015307671_100000747449 [0,0,0,1,0,1|1,0,0]=3 3372 B13R1.1703 CCC(=O)CN1CC[C@H]1C(=O)OC 269982a_102516456887_100000747405 [0,0,0,1,0,1|1,0,0]=3 3373 B13R1.1703 CNC(=O)CN1CC[C@H]1C(=O)OC 2230a_102516456887_100000183359 [0,0,0,1,0,1|1,0,0]=3 3374 B13R1.1703 CNC(=O)CN1CC[C@H]1C(=O)OC 269982a_102516456887_100000183359 [0,0,0,1,0,1|1,0,0]=3 3375 B13R1.1703 COC(=O)CN1CC[C@H]1C(=O)OC 2230a_102516456887_100000747449 [0,0,0,1,0,1|0,0,0]=2 3376 B13R1.1703 COC(=O)CN1CC[C@H]1C(=O)OC 269982a_102516456887_100000747449 [0,0,0,1,0,1|0,0,0]=2 3377 B13R1.1710 CNC(=O)CCN1CC1C(=O)OC 2230a_200009830135_100000737683 [0,0,0,1,0,1|1,0,0]=3 3378 B13R1.1710 COC(=O)CCN1CC1C(=O)OC 2230a_200009830135_100000204255 [0,0,0,1,0,1|0,0,0]=2 3379 B13R1.1741 COC(=O)CCCSCC1(CO1)C 62a_100000760498_100011218270 [0,0,0,1,0,1|1,0,1]=4 3380 B13R1.1741 COC(=O)CCCSCC1(CO1)C 62a_100011218270_100000760498 [0,0,0,1,0,1|1,0,1]=4 3381 B13R1.1869 COC(=O)CN1CCNC(=O)CC1 2230a_100000698595_100000747449 [0,0,0,1,0,1|2,0,0]=4 3382 B13R1.1869 COC(=O)CN1CCNC(=O)CC1 269982a_100000698595_100000747449 [0,0,0,1,0,1|2,0,0]=4 3383 B13R1.2329 COC(=O)CCCN1CC(C1)OC 269982a_100000755009_100011218270 [0,0,0,1,0,1|1,0,1]=4 3384 B13R1.2329 COC(=O)CCN[C@H]1C[C@@H](C1)OC 2230a_100121570643_100000204255 [0,0,0,1,0,1|1,0,1]=4 3385 B13R1.10 COC(=O)CC(=O)C1CNC(=O)C1 1458a_100000747279_100000747449 [0,1,0,1,0,0|1,0,1]=4 3386 B13R1.10 COC(=O)CC(C)N1CNC(=O)C1 2230a_200000708111_100009817358 [0,1,0,1,0,0|2,0,0]=4 3387 B13R1.15 CNC(=O)CCN1CCOC(=O)C1 2230a_100000131268_100000737683 [0,1,0,1,0,0|2,0,0]=4 3388 B13R1.15 COC(=O)CCN1CCNC(=O)C1 2230a_100000184651_100000204255 [0,1,0,1,0,0|2,0,0]=4 3389 B13R1.15 COC(=O)CCN1CCOC(=O)C1 2230a_100000131268_100000204255 [0,1,0,1,0,0|1,0,0]=3 3390 B13R1.15 COC(=O)CNC1CCNC(=O)C1 2230a_100016994916_100000747449 [0,1,0,1,0,0|2,0,0]=4 3391 B13R1.15 COC(=O)CNC1CCNC(=O)C1 34a_100016994916_100000747449 [0,1,0,1,0,0|2,0,0]=4 3392 B13R1.15 COC(=O)COC1CCCC(=O)C1 34a_100012613340_100000747449 [0,1,0,1,0,0|2,0,0]=4 3393 B13R1.15 COC(=O)CO[C@@H]1CCNC(=O)C1 34a_100015189427_100000747449 [0,1,0,1,0,0|2,0,0]=4 3394 B13R1.597 COC(=O)CNC1CC(=O)N(C1)C 2230a_100000748898_100000747449 [0,1,0,1,0,0|2,0,0]=4 3395 B13R1.597 COC(=O)CNC1CC(=O)N(C1)C 34a_100000748898_100000747449 [0,1,0,1,0,0|2,0,0]=4 3396 B13R1.1788 COC(=O)CC(C)SC1CCC1=O 62a_100009817358_100009892977 [0,1,0,1,0,0|2,0,0]=4 3397 B13R1.1788 COC(=O)CC(C)SC1CCC1=O 62a_100009892977_100009817358 [0,1,0,1,0,0|2,0,0]=4 3398 B13R1.1871 CCC(=O)CN1CC(C1)C(=O)OC 269982a_100015188540_100000747405 [0,1,0,1,0,0|2,0,0]=4 3399 B13R1.1871 CCC(=O)N1CC(C1)CC(=O)OC 11a_100016993681_100000210414 [0,1,0,1,0,0|2,0,0]=4 3400 B13R1.1871 CCC(=O)N1CC(C1)CC(=O)OC 1626a_100016993681_100000210414 [0,1,0,1,0,0|2,0,0]=4 3401 B13R1.1871 CCC(=O)N1CC(C1)CC(=O)OC 240690a_100016993681_100000210414 [0,1,0,1,0,0|2,0,0]=4 3402 B13R1.1871 CCC(=O)N1CC(C1)CC(=O)OC 527a_100016993681_100000210414 [0,1,0,1,0,0|2,0,0]=4 3403 B13R1.1871 CCC(=O)N[C@H]1C[C@@H](C1)C(=O)OC 188690a_100121571207_100000210414 [0,1,0,1,0,0|2,0,0]=4 3404 B13R1.1871 CNC(=O)C1CN(C1)CC(=O)OC 34a_100000703363_100000747449 [0,1,0,1,0,0|2,0,0]=4 3405 B13R1.1871 CNC(=O)CN1CC(C1)C(=O)OC 269982a_100015188540_100000183359 [0,1,0,1,0,0|2,0,0]=4 3406 B13R1.1871 CNC(=O)N1CC(C1)CC(=O)OC 273464a_100102657272_100016993681 [0,1,0,1,0,0|2,0,0]=4 3407 B13R1.1871 COC(=O)CN1CC(C1)C(=O)OC 269982a_100015188540_100000747449 [0,1,0,1,0,0|1,0,0]=3 3408 B13R1.3547 COC(=O)CCC(=O)C1CCC1=O 1458a_100000187943_100009892977 [0,1,0,1,0,0|1,0,1]=4 3409 B13R1.3547 COC(=O)CCN(C)C1CCC1=O 269982a_100025711912_100009892977 [0,1,0,1,0,0|2,0,0]=4 3410 B13R1.134 COC(=O)C(C)NC1CNC(=O)C1 2230a_100000697751_100000211248 [0,1,0,1,0,0|2,0,0]=4 3411 B13R1.134 COC(=O)C(C)OC1CCC(=O)C1 34a_100012614533_100000211248 [0,1,0,1,0,0|2,0,0]=4 3412 B13R1.134 COC(=O)C(C)OC1CNC(=O)C1 34a_100000690082_100000211248 [0,1,0,1,0,0|2,0,0]=4 3413 B13R1.134 COC(=O)C(C)OC1COC(=O)O1 34a_100011215400_100000032252 [0,1,0,1,0,0|2,0,0]=4 3414 B13R1.134 COC(=O)C(C)SC1COC(=O)O1 62a_100000211248_100000032252 [0,1,0,1,0,0|2,0,0]=4 3415 B13R1.534 CCC(=O)C1CCC(C1)C(=O)OC 1458a_100000684823_100000210202 [0,1,0,1,0,0|1,0,0]=3 3416 B13R1.534 CCC(=O)N1CC[C@H](C1)C(=O)OC 1626a_100016989057_100000210414 [0,1,0,1,0,0|2,0,0]=4 3417 B13R1.534 CCC(=O)N1CC[C@H](C1)C(=O)OC 240690a_100016989057_100000210414 [0,1,0,1,0,0|2,0,0]=4 3418 B13R1.534 CCC(=O)N1CC[C@H](C1)C(=O)OC 527a_100016989057_100000210414 [0,1,0,1,0,0|2,0,0]=4 3419 B13R1.534 CNC(=O)C1CCC(C1)C(=O)OC 11a_106832991635_100000684823 [0,1,0,1,0,0|1,0,0]=3 3420 B13R1.534 CNC(=O)C1CCC(C1)C(=O)OC 1626a_100102657272_100000684823 [0,1,0,1,0,0|1,0,0]=3 3421 B13R1.534 CNC(=O)C1CCC(C1)C(=O)OC 240690a_100102657272_100000684823 [0,1,0,1,0,0|1,0,0]=3 3422 B13R1.534 CNC(=O)C1CCC(C1)C(=O)OC 527a_100102657272_100000684823 [0,1,0,1,0,0|1,0,0]=3 3423 B13R1.534 CNC(=O)N1CC[C@H](C1)C(=O)OC 2708a_100102657272_100016989057 [0,1,0,1,0,0|2,0,0]=4 3424 B13R1.534 CNC(=O)N1CC[C@H](C1)C(=O)OC 273464a_100102657272_100016989057 [0,1,0,1,0,0|2,0,0]=4 3425 B13R1.534 COC(=O)C1CCC(C1)C(=O)CF 1458a_100000684823_100015361967 [0,1,0,1,0,0|2,0,0]=4 3426 B13R1.599 CNC(=O)CCNC1CCOC1=O 2230a_100000738227_100000211211 [0,1,0,1,0,0|2,0,0]=4 3427 B13R1.599 CNC(=O)CCNC1CCOC1=O 34a_100000738227_100000211211 [0,1,0,1,0,0|2,0,0]=4 3428 B13R1.599 CNC(=O)CCN[C@@H]1CONC1=O 2230a_100000765999_100000737683 [0,1,0,1,0,0|2,0,0]=4 3429 B13R1.599 CNC(=O)CCN[C@@H]1CONC1=O 34a_100000765999_100012179268 [0,1,0,1,0,0|2,0,0]=4 3430 B13R1.599 CNC(=O)CCOC1CCOC1=O 34a_100000754576_100000211211 [0,1,0,1,0,0|2,0,0]=4 3431 B13R1.599 CNC(=O)CCSC1CCOC1=O 62a_100000211211_100000737683 [0,1,0,1,0,0|2,0,0]=4 3432 B13R1.599 CNC(=O)CCSC1CCOC1=O 62a_100000737683_100000211211 [0,1,0,1,0,0|2,0,0]=4 3433 B13R1.599 COC(=O)CCNC1CCNC1=O 2230a_100016995588_100000204255 [0,1,0,1,0,0|2,0,0]=4 3434 B13R1.599 COC(=O)CCNC1CCNC1=O 34a_100016995588_100000742370 [0,1,0,1,0,0|2,0,0]=4 3435 B13R1.599 COC(=O)CCN[C@@H]1CONC1=O 2230a_100000765999_100000204255 [0,1,0,1,0,0|1,0,0]=3 3436 B13R1.599 COC(=O)CCN[C@@H]1CONC1=O 34a_100000765999_100000742370 [0,1,0,1,0,0|1,0,0]=3 3437 B13R1.599 COC(=O)CCOC1CCCC1=O 34a_200000719330_100000742370 [0,1,0,1,0,0|2,0,0]=4 3438 B13R1.599 COC(=O)CCO[C@H]1CCNC1=O 34a_100000688343_100000742370 [0,1,0,1,0,0|2,0,0]=4 3439 B13R1.599 COC(=O)CCSC1CCCC1=O 62a_100000204255_100000211823 [0,1,0,1,0,0|2,0,0]=4 3440 B13R1.599 COC(=O)CCSC1CCCC1=O 62a_100000211823_100000204255 [0,1,0,1,0,0|2,0,0]=4 3441 B13R1.599 COC(=O)CCSC1CCOC1=O 62a_100000204255_100000211211 [0,1,0,1,0,0|1,0,0]=3 3442 B13R1.599 COC(=O)CCSC1CCOC1=O 62a_100000211211_100000204255 [0,1,0,1,0,0|1,0,0]=3 3443 B13R1.599 COC(=O)COCC1CCNC1=O 34a_100000133458_100000747449 [0,1,0,1,0,0|2,0,0]=4 3444 B13R1.599 COC(=O)OCSC1CCOC1=O 62a_100000211211_100000139417 [0,1,0,1,0,0|2,0,0]=4 3445 B13R1.698 COC(=O)C(C)COC1CCC1=O 34a_100000749362_100009892977 [0,1,0,1,0,0|2,0,0]=4 3446 B13R1.698 COC(=O)C(C)COC1CCC1=O 7a_100000749362_100009892977 [0,1,0,1,0,0|2,0,0]=4 3447 B13R1.698 COC(=O)C(C)CSC1CCC1=O 62a_100000698445_100009892977 [0,1,0,1,0,0|2,0,0]=4 3448 B13R1.698 COC(=O)C(C)CSC1CCC1=O 62a_100009892977_100000698445 [0,1,0,1,0,0|2,0,0]=4 3449 B13R1.698 COC(=O)C(F)COC1CCC1=O 34a_200009849844_100009892977 [0,1,0,1,0,0|2,0,0]=4 3450 B13R1.698 COC(=O)[C@H](N)COC1CCC1=O 34a_100000003586_100009892977 [0,1,0,1,0,0|2,0,0]=4 3451 B13R1.1683 CCC(=O)C(C)N1CC1C(=O)OC 2230a_200009830135_100000742827 [0,1,0,1,0,0|2,0,0]=4 3452 B13R1.1683 CNC(=O)C(C)N1CC1C(=O)OC 2230a_200009830135_100000731044 [0,1,0,1,0,0|2,0,0]=4 3453 B13R1.1683 CNC(=O)C(F)N1CC1C(=O)OC 2230a_200009830135_100009813575 [0,1,0,1,0,0|2,0,0]=4 3454 B13R1.1683 COC(=O)C(=O)N1CC1C(=O)OC 240690a_200009830135_100000024059 [0,1,0,1,0,0|1,0,1]=4 3455 B13R1.1683 COC(=O)C(C)N1CC1C(=O)OC 2230a_200009830135_100000211248 [0,1,0,1,0,0|1,0,0]=3 3456 B13R1.1734 CNC(=O)CCCNC(=O)C1CO1 11a_100000740002_100000701028 [0,1,0,1,0,0|2,0,0]=4 3457 B13R1.1734 CNC(=O)CCCNC(=O)C1CO1 240690a_100000740002_100000701028 [0,1,0,1,0,0|2,0,0]=4 3458 B13R1.1734 CNC(=O)CCCNC(=O)C1CO1 527a_100000740002_100000701028 [0,1,0,1,0,0|2,0,0]=4 3459 B13R1.1734 COC(=O)CCCCC(=O)C1CC1 1458a_100000210395_100000204269 [0,1,0,1,0,0|1,0,0]=3 3460 B13R1.1734 COC(=O)CCCCC(=O)C1CO1 1458a_100000701028_100000204269 [0,1,0,1,0,0|0,0,0]=2 3461 B13R1.1734 COC(=O)CCCNC(=O)C1CC1 188690a_100000184769_100000210395 [0,1,0,1,0,0|2,0,0]=4 3462 B13R1.1734 COC(=O)CCCNC(=O)C1CO1 188690a_100000184769_100000701028 [0,1,0,1,0,0|1,0,0]=3 3463 B13R1.1734 COC(=O)CCOCC(=O)C1CC1 34a_100000686663_100000742370 [0,1,0,1,0,0|2,0,0]=4 3464 B13R1.1734 COC(=O)CCSCC(=O)C1CC1 62a_100000204255_100000746382 [0,1,0,1,0,0|2,0,0]=4 3465 B13R1.1734 COC(=O)CCSCC(=O)C1CC1 62a_100000746382_100000204255 [0,1,0,1,0,0|2,0,0]=4 3466 B13R1.1734 COC(=O)COCCC(=O)C1CC1 1458a_100000210395_100000090808 [0,1,0,1,0,0|2,0,0]=4 3467 B13R1.1734 COC(=O)COCCC(=O)C1CO1 1458a_100000701028_100000090808 [0,1,0,1,0,0|1,0,0]=3 3468 B13R1.1802 C=C(C)C(=O)N1CC[C@H]1C(=O)OC 11a_102516456887_100000185857 [0,1,0,1,0,0|2,0,0]=4 3469 B13R1.1802 C=C(C)C(=O)N1CC[C@H]1C(=O)OC 1626a_102516456887_100000185857 [0,1,0,1,0,0|2,0,0]=4 3470 B13R1.1802 COC(=O)[C@@H]1CCN1C(=O)C(C)C 11a_102516456887_100000210198 [0,1,0,1,0,0|2,0,0]=4 3471 B13R1.1802 COC(=O)[C@@H]1CCN1C(=O)C(C)C 1626a_102516456887_100000210198 [0,1,0,1,0,0|2,0,0]=4 3472 B13R1.1802 COC(=O)[C@@H]1CCN1C(=O)C(C)C 240690a_102516456887_100000210198 [0,1,0,1,0,0|2,0,0]=4 3473 B13R1.1802 COC(=O)[C@@H]1CCN1C(=O)C(C)C 527a_102516456887_100000210198 [0,1,0,1,0,0|2,0,0]=4 3474 B13R1.1802 COC(=O)[C@@H]1CCN1C(=O)C(C)F 11a_102516456887_100000062450 [0,1,0,1,0,0|2,0,0]=4 3475 B13R1.1802 COC(=O)[C@@H]1CCN1C(=O)C(C)F 1626a_102516456887_100000062450 [0,1,0,1,0,0|2,0,0]=4 3476 B13R1.1802 COC(=O)[C@@H]1CCN1C(=O)C(C)F 240690a_102516456887_100000062450 [0,1,0,1,0,0|2,0,0]=4 3477 B13R1.1802 COC(=O)[C@@H]1CCN1C(=O)C(C)F 527a_102516456887_100000062450 [0,1,0,1,0,0|2,0,0]=4 3478 B13R1.1802 COC(=O)[C@@H]1CCN1C(=O)[C@@H](C)O 240690a_102516456887_100000717761 [0,1,0,1,0,0|2,0,0]=4 3479 B13R1.1802 COC(=O)[C@@H]1CCN1C(=O)[C@H](C)O 1626a_102516456887_217856618621 [0,1,0,1,0,0|2,0,0]=4 3480 B13R1.1802 COC(=O)[C@@H]1CCN1C(=O)[C@H](C)O 240690a_102516456887_217856618621 [0,1,0,1,0,0|2,0,0]=4 3481 B13R1.1802 COC(=O)[C@@H]1CC[C@@H]1C(=O)C(C)C 1458a_100009908320_100000210206 [0,1,0,1,0,0|1,0,0]=3 3482 B13R1.1802 COC(=O)[C@@H]1CC[C@@H]1C(=O)N(C)C 11a_100102631434_100009908320 [0,1,0,1,0,0|1,0,0]=3 3483 B13R1.1802 COC(=O)[C@@H]1CC[C@@H]1C(=O)N(C)C 240690a_100102631434_100009908320 [0,1,0,1,0,0|1,0,0]=3 3484 B13R1.5616 COC(=O)C1CN1CC(=O)C(C)C 2230a_200009830135_100000753385 [0,1,0,1,0,0|2,0,0]=4 3485 B13R1.5616 COC(=O)C1CN1CC(=O)N(C)C 2230a_200009830135_100000185267 [0,1,0,1,0,0|2,0,0]=4 3486 B13R1.19 COCC(=O)NC1CCC(=O)NC1 11a_100000748762_100000210968 [0,1,0,1,0,0|2,0,0]=4 3487 B13R1.19 COCC(=O)NC1CCC(=O)NC1 1626a_100000748762_100000210968 [0,1,0,1,0,0|2,0,0]=4 3488 B13R1.19 COCC(=O)NC1CCC(=O)NC1 240690a_100000748762_100000210968 [0,1,0,1,0,0|2,0,0]=4 3489 B13R1.19 COCC(=O)NC1CCC(=O)NC1 527a_100000748762_100000210968 [0,1,0,1,0,0|2,0,0]=4 3490 B13R1.41 CCOC(=O)CCN1CNC(=O)C1 2230a_200000708111_100011206558 [0,1,0,1,0,0|2,0,0]=4 3491 B13R1.41 CCOC(=O)CNC1CNC(=O)C1 2230a_100000697751_100000188475 [0,1,0,1,0,0|2,0,0]=4 3492 B13R1.41 CCOC(=O)COC1CCC(=O)C1 34a_100012614533_100000188475 [0,1,0,1,0,0|2,0,0]=4 3493 B13R1.41 CCOC(=O)COC1CNC(=O)C1 34a_100000690082_100000188475 [0,1,0,1,0,0|2,0,0]=4 3494 B13R1.41 CCOC(=O)CSC1COC(=O)O1 62a_100000188475_100000032252 [0,1,0,1,0,0|2,0,0]=4 3495 B13R1.41 COCC(=O)CCC1COS(=O)O1 1458a_100000210968_100009840081 [0,1,0,1,0,0|2,0,0]=4 3496 B13R1.41 COCC(=O)NCC1CNC(=O)C1 11a_100016993742_100000210968 [0,1,0,1,0,0|2,0,0]=4 3497 B13R1.41 COCC(=O)NCC1CNC(=O)C1 1626a_100016993742_100000210968 [0,1,0,1,0,0|2,0,0]=4 3498 B13R1.41 COCC(=O)NCC1CNC(=O)C1 240690a_100016993742_100000210968 [0,1,0,1,0,0|2,0,0]=4 3499 B13R1.41 COCC(=O)NCC1CNC(=O)C1 527a_100016993742_100000210968 [0,1,0,1,0,0|2,0,0]=4 3500 B13R1.360 COCN1CC[C@@H](C1)CC(=O)OC 2230a_100020634416_100000766300 [0,1,0,1,0,0|2,0,0]=4 3501 B13R1.360 COCN1CC[C@@H](C1)CC(=O)OC 269982a_100020634416_100000766300 [0,1,0,1,0,0|2,0,0]=4 3502 B13R1.374 CCOC1CCCC(C1)C(=O)OC 34a_100012184231_100000210202 [0,1,0,1,0,0|1,0,1]=4 3503 B13R1.374 CCOC1CCCC(C1)C(=O)OC 7a_100012184231_100000210202 [0,1,0,1,0,0|1,0,1]=4 3504 B13R1.374 COC(=O)C1CCCC(C1)OCF 34a_100012184231_100015361967 [0,1,0,1,0,0|1,0,1]=4 3505 B13R1.374 COC(=O)C1CCCC(C1)OCF 7a_100012184231_100015361967 [0,1,0,1,0,0|1,0,1]=4 3506 B13R1.374 COCN1CCC[C@@H](C1)C(=O)OC 2230a_100016988859_100000766300 [0,1,0,1,0,0|2,0,0]=4 3507 B13R1.374 COCN1CCC[C@@H](C1)C(=O)OC 269982a_100016988859_100000766300 [0,1,0,1,0,0|2,0,0]=4 3508 B13R1.460 CCOC(=O)C1CCCC(C1)OC 7a_100011934014_200000210301 [0,1,0,1,0,0|1,0,1]=4 3509 B13R1.460 CCOC(=O)C1CCCC(C1)O[13CH3] 7a_100011934014_200025704644 [0,1,0,1,0,0|1,0,1]=4 3510 B13R1.461 CCOC(=O)CCSC1CCC1=O 62a_100000765890_100009892977 [0,1,0,1,0,0|2,0,0]=4 3511 B13R1.461 CCOC(=O)CCSC1CCC1=O 62a_100009892977_100000765890 [0,1,0,1,0,0|2,0,0]=4 3512 B13R1.1520 C#CCC(=O)[C@H]1CC[C@H]1C(=O)OC 1458a_100009908320_100000184674 [0,1,0,1,0,0|1,0,1]=4 3513 B13R1.1520 C=CCC(=O)[C@H]1CC[C@H]1C(=O)OC 1458a_100009908320_100000210623 [0,1,0,1,0,0|1,0,1]=4 3514 B13R1.1520 CC=CC(=O)N1CC[C@H]1C(=O)OC 11a_102516456887_100000210699 [0,1,0,1,0,0|2,0,0]=4 3515 B13R1.1520 CC=CC(=O)N1CC[C@H]1C(=O)OC 1626a_102516456887_100000210699 [0,1,0,1,0,0|2,0,0]=4 3516 B13R1.1520 CC=CC(=O)N1CC[C@H]1C(=O)OC 240690a_102516456887_100000210699 [0,1,0,1,0,0|2,0,0]=4 3517 B13R1.1520 CCCC(=O)N1CC[C@H]1C(=O)OC 11a_102516456887_100000211992 [0,1,0,1,0,0|2,0,0]=4 3518 B13R1.1520 CCCC(=O)N1CC[C@H]1C(=O)OC 1626a_102516456887_100000211992 [0,1,0,1,0,0|2,0,0]=4 3519 B13R1.1520 CCCC(=O)N1CC[C@H]1C(=O)OC 240690a_102516456887_100000211992 [0,1,0,1,0,0|2,0,0]=4 3520 B13R1.1520 CCCC(=O)N1CC[C@H]1C(=O)OC 527a_102516456887_100000211992 [0,1,0,1,0,0|2,0,0]=4 3521 B13R1.1520 CCCC(=O)[C@H]1CC[C@H]1C(=O)OC 1458a_100009908320_100000210303 [0,1,0,1,0,0|1,0,0]=3 3522 B13R1.1520 CCNC(=O)[C@H]1CC[C@H]1C(=O)OC 11a_100015525214_100009908320 [0,1,0,1,0,0|1,0,0]=3 3523 B13R1.1520 CCNC(=O)[C@H]1CC[C@H]1C(=O)OC 240690a_100015525214_100009908320 [0,1,0,1,0,0|1,0,0]=3 3524 B13R1.1520 CNNC(=O)[C@H]1CC[C@H]1C(=O)OC 22a_100016993582_100009908320 [0,1,0,1,0,0|1,0,0]=3 3525 B13R1.1520 COC(=O)[C@@H]1CCN1C(=O)CCO 240690a_102516456887_100011216618 [0,1,0,1,0,0|2,0,0]=4 3526 B13R1.1520 COC(=O)[C@@H]1CCN1C(=O)CSC 11a_102516456887_100000184570 [0,1,0,1,0,0|1,1,0]=4 3527 B13R1.1520 COC(=O)[C@@H]1CCN1C(=O)CSC 1626a_102516456887_100000184570 [0,1,0,1,0,0|1,1,0]=4 3528 B13R1.1520 COC(=O)[C@@H]1CCN1C(=O)CSC 240690a_102516456887_100000184570 [0,1,0,1,0,0|1,1,0]=4 3529 B13R1.1520 COC(=O)[C@@H]1CCN1C(=O)CSC 527a_102516456887_100000184570 [0,1,0,1,0,0|1,1,0]=4 3530 B13R1.1520 COC(=O)[C@@H]1CC[C@@H]1C(=O)CC#N 1458a_100009908320_100011214920 [0,1,0,1,0,0|1,0,1]=4 3531 B13R1.1520 COC(=O)[C@@H]1CC[C@@H]1C(=O)CCF 1458a_100009908320_100011217306 [0,1,0,1,0,0|1,0,0]=3 3532 B13R1.1520 COC(=O)[C@@H]1CC[C@@H]1C(=O)CCO 1458a_100009908320_100000211926 [0,1,0,1,0,0|1,0,0]=3 3533 B13R1.1520 COCC(=O)N1CC[C@H]1C(=O)OC 11a_102516456887_100000210968 [0,1,0,1,0,0|1,0,0]=3 3534 B13R1.1520 COCC(=O)N1CC[C@H]1C(=O)OC 1626a_102516456887_100000210968 [0,1,0,1,0,0|1,0,0]=3 3535 B13R1.1520 COCC(=O)N1CC[C@H]1C(=O)OC 240690a_102516456887_100000210968 [0,1,0,1,0,0|1,0,0]=3 3536 B13R1.1520 COCC(=O)N1CC[C@H]1C(=O)OC 527a_102516456887_100000210968 [0,1,0,1,0,0|1,0,0]=3 3537 B13R1.1573 C=COC(=O)CN1CC1C(=O)OC 2230a_200009830135_100000036128 [0,1,0,1,0,0|1,0,1]=4 3538 B13R1.1573 CCCC(=O)CN1CC1C(=O)OC 2230a_200009830135_100000747444 [0,1,0,1,0,0|2,0,0]=4 3539 B13R1.1573 CCNC(=O)CN1CC1C(=O)OC 2230a_200009830135_100000183381 [0,1,0,1,0,0|2,0,0]=4 3540 B13R1.1573 CCOC(=O)CN1CC1C(=O)OC 2230a_200009830135_100000188475 [0,1,0,1,0,0|1,0,0]=3 3541 B13R1.1573 COC(=O)C1CN1CC(=O)NCO 2230a_200009830135_100000185155 [0,1,0,1,0,0|2,0,0]=4 3542 B9R0.1 C#CC(=O)CCCC(=O)C 1458a_100000211873_100011215641 [1,0,0,0,1,0|1,0,1]=4 3543 B9R0.1 C=C(C)COCC(=O)OC 34a_100000210245_100000747449 [1,0,0,0,1,0|2,0,0]=4 3544 B9R0.1 C=C(C)CSCC(=O)OC 62a_100000747449_100000211660 [1,0,0,0,1,0|2,0,0]=4 3545 B9R0.1 C=C(C)CSCC(=O)OC 62a_100000748629_100000747449 [1,0,0,0,1,0|2,0,0]=4 3546 B9R0.1 C=CC(=O)CCCC(=O)C 1458a_100000185746_100011215641 [1,0,0,0,1,0|1,0,1]=4 3547 B9R0.1 CC(=O)CCCC(=O)CO 1458a_100000210174_100011215641 [1,0,0,0,1,0|2,0,0]=4 3548 B9R0.1 CCC(=O)CCCC(=O)C 1458a_100000210414_100011215641 [1,0,0,0,1,0|1,0,0]=3 3549 B9R0.1 CCC(=O)CCCC(=O)N 1458a_100000210414_100102525003 [1,0,0,0,1,0|2,0,0]=4 3550 B9R0.1 CCC(=O)CCNC(=O)C 1458a_100000183196_100000210202 [1,0,0,0,1,0|2,0,0]=4 3551 B9R0.1 CCC(=O)CCNC(=O)C 1458a_100000210414_100000189650 [1,0,0,0,1,0|2,0,0]=4 3552 B9R0.1 CCC(=O)CCOC(=O)C 1458a_100000210414_100009814007 [1,0,0,0,1,0|2,0,0]=4 3553 B9R0.1 CCC(=O)CCSC(=O)C 1458a_100000048949_100000210202 [1,0,0,0,1,0|2,0,0]=4 3554 B9R0.1 CCC(=O)CNCC(=O)O 269956a_100016091260_100000747405 [1,0,0,0,1,0|2,0,0]=4 3555 B9R0.1 CNC(=O)CCCC(=O)C 1458a_100000070787_100000741757 [1,0,0,0,1,0|1,0,0]=3 3556 B9R0.1 CNC(=O)CCNC(=O)C 11a_100000738227_100015343762 [1,0,0,0,1,0|2,0,0]=4 3557 B9R0.1 CNC(=O)CCNC(=O)C 11a_106832991635_100000183196 [1,0,0,0,1,0|2,0,0]=4 3558 B9R0.1 CNC(=O)CCNC(=O)C 1626a_100102657272_100000183196 [1,0,0,0,1,0|2,0,0]=4 3559 B9R0.1 CNC(=O)CCNC(=O)C 240690a_100000738227_100015343762 [1,0,0,0,1,0|2,0,0]=4 3560 B9R0.1 CNC(=O)CCNC(=O)C 240690a_100102657272_100000183196 [1,0,0,0,1,0|2,0,0]=4 3561 B9R0.1 CNC(=O)CCNC(=O)C 527a_100000738227_100103153847 [1,0,0,0,1,0|2,0,0]=4 3562 B9R0.1 CNC(=O)CCNC(=O)C 527a_100102657272_100000183196 [1,0,0,0,1,0|2,0,0]=4 3563 B9R0.1 CNC(=O)CCSC(=O)C 1626a_100102657272_100000048949 [1,0,0,0,1,0|2,0,0]=4 3564 B9R0.1 CNC(=O)CCSC(=O)C 240690a_100102657272_100000048949 [1,0,0,0,1,0|2,0,0]=4 3565 B9R0.1 CNC(=O)CNCC(=O)O 269956a_100016091260_100000183359 [1,0,0,0,1,0|2,0,0]=4 3566 B9R0.1 CNC(=O)COCC(=O)C 34a_100000211253_100000183359 [1,0,0,0,1,0|2,0,0]=4 3567 B9R0.1 CNC(=O)OCCC(=O)C 1458a_100000070787_200011997002 [1,0,0,0,1,0|2,0,0]=4 3568 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000070787_100011218270 [1,0,0,0,1,0|0,0,0]=2 3569 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000239890_200000210301 [1,0,0,0,1,0|0,0,0]=2 3570 B9R0.1 COC(=O)CCCC(=O)[13CH3] 1458a_100000239890_200025704644 [1,0,0,0,1,0|0,0,0]=2 3571 B9R0.1 COC(=O)CCCN(C)C 2230a_100102631434_100011218270 [1,0,0,0,1,0|2,0,0]=4 3572 B9R0.1 COC(=O)CCCN(C)C 269982a_100000739225_200000210301 [1,0,0,0,1,0|2,0,0]=4 3573 B9R0.1 COC(=O)CCCN(C)C 269982a_100102631434_100011218270 [1,0,0,0,1,0|2,0,0]=4 3574 B9R0.1 COC(=O)CCCN(C)[13CH3] 269982a_100000739225_200025704644 [1,0,0,0,1,0|2,0,0]=4 3575 B9R0.1 COC(=O)CCNC(=O)C 188690a_100000683876_100015343762 [1,0,0,0,1,0|1,0,0]=3 3576 B9R0.1 COC(=O)CNCC(=O)N 2230a_100000711301_100000747449 [1,0,0,0,1,0|2,0,0]=4 3577 B9R0.1 COC(=O)CNCC(=O)O 269956a_100016091260_100000747449 [1,0,0,0,1,0|1,0,0]=3 3578 B9R0.1 COC(=O)COCC(=O)C 34a_100000211253_100000747449 [1,0,0,0,1,0|1,0,0]=3 3579 B9R0.1 COC(=O)CSCC(=O)C 1458a_100000191316_200000210301 [1,0,0,0,1,0|1,0,0]=3 3580 B9R0.1 COC(=O)CSCC(=O)N 62a_100000747449_100000747473 [1,0,0,0,1,0|2,0,0]=4 3581 B9R0.1 COC(=O)CSCC(=O)N 62a_100000747473_100000747449 [1,0,0,0,1,0|2,0,0]=4 3582 B9R0.1 COC(=O)CSCC(=O)[13CH3] 1458a_100000191316_200025704644 [1,0,0,0,1,0|1,0,0]=3 3583 B9R0.1 COC(=O)CSCC(=O)[O-] 62a_100000747449_100020667443 [1,0,0,0,1,0|1,0,1]=4 3584 B9R0.1 COC(=O)CSCC(=O)[O-] 62a_100020667443_100000747449 [1,0,0,0,1,0|1,0,1]=4 3585 B9R0.24 CCC(=O)CCC(=O)NC 1458a_100011309844_100000210202 [0,0,0,0,2,0|2,0,0]=4 3586 B9R0.24 CCC(=O)CCC(=O)OC 1458a_100000187943_100000210202 [0,0,0,0,2,0|1,0,0]=3 3587 B9R0.24 CCC(=O)CNC(=O)OC 1458a_100000215747_100000210202 [0,0,0,0,2,0|2,0,0]=4 3588 B9R0.24 CCC(=O)NCC(=O)OC 188690a_100000185156_100000210414 [0,0,0,0,2,0|2,0,0]=4 3589 B9R0.24 CNC(=O)CCC(=O)NC 11a_106832991635_100011309844 [0,0,0,0,2,0|2,0,0]=4 3590 B9R0.24 CNC(=O)CCC(=O)NC 1626a_100102657272_100011309844 [0,0,0,0,2,0|2,0,0]=4 3591 B9R0.24 CNC(=O)CCC(=O)NC 240690a_100102657272_100011309844 [0,0,0,0,2,0|2,0,0]=4 3592 B9R0.24 CNC(=O)CCC(=O)NC 527a_100102657272_100011309844 [0,0,0,0,2,0|2,0,0]=4 3593 B9R0.24 CNC(=O)CCC(=O)OC 11a_106832991635_100000187943 [0,0,0,0,2,0|1,0,0]=3 3594 B9R0.24 CNC(=O)CCC(=O)OC 1626a_100102657272_100000187943 [0,0,0,0,2,0|1,0,0]=3 3595 B9R0.24 CNC(=O)CCC(=O)OC 240690a_100102657272_100000187943 [0,0,0,0,2,0|1,0,0]=3 3596 B9R0.24 CNC(=O)CCC(=O)OC 527a_100102657272_100000187943 [0,0,0,0,2,0|1,0,0]=3 3597 B9R0.24 CNC(=O)CNC(=O)OC 11a_106832991635_100000215747 [0,0,0,0,2,0|2,0,0]=4 3598 B9R0.24 CNC(=O)CNC(=O)OC 1626a_100102657272_100000215747 [0,0,0,0,2,0|2,0,0]=4 3599 B9R0.24 CNC(=O)CNC(=O)OC 240690a_100102657272_100000215747 [0,0,0,0,2,0|2,0,0]=4 3600 B9R0.24 CNC(=O)CNC(=O)OC 527a_100102657272_100000215747 [0,0,0,0,2,0|2,0,0]=4 3601 B9R0.24 COC(=O)CCC(=O)CF 1458a_100000187943_100015361967 [0,0,0,0,2,0|2,0,0]=4 3602 B13R0.201 C#CC(=O)CCCCCCC(=O)OC 1458a_100000211873_100009815986 [0,0,0,0,0,2|1,0,1]=4 3603 B13R0.201 C=CC(=O)CCCCCCC(=O)OC 1458a_100000185746_100009815986 [0,0,0,0,0,2|1,0,1]=4 3604 B13R0.201 C=CC(=O)NCCNCCC(=O)OC 2230a_114873766552_100000204255 [0,0,0,0,0,2|1,0,1]=4 3605 B13R0.201 C=CC(=O)NCCOCCC(=O)OC 34a_100011304386_100000742370 [0,0,0,0,0,2|1,0,1]=4 3606 B13R0.201 C=CC(=O)OCCSCCC(=O)OC 62a_100000204255_100009813456 [0,0,0,0,0,2|1,0,1]=4 3607 B13R0.201 C=CC(=O)OCCSCCC(=O)OC 62a_100009813456_100000204255 [0,0,0,0,0,2|1,0,1]=4 3608 B13R0.201 CCC(=O)CCCCCCC(=O)OC 1458a_100000036694_100000210202 [0,0,0,0,0,2|1,0,0]=3 3609 B13R0.201 CCC(=O)CCCCCCC(=O)OC 1458a_100000210414_100009815986 [0,0,0,0,0,2|1,0,0]=3 3610 B13R0.201 CCC(=O)COCCCCC(=O)OC 34a_100000725409_100000204269 [0,0,0,0,0,2|1,0,0]=3 3611 B13R0.201 CCC(=O)COCCCCC(=O)OC 7a_100000059025_100000747405 [0,0,0,0,0,2|1,0,0]=3 3612 B13R0.201 CCC(=O)COCCOCC(=O)OC 34a_100000725409_100000090808 [0,0,0,0,0,2|1,0,0]=3 3613 B13R0.201 CCC(=O)CSCCCCC(=O)OC 62a_100000204269_100000747405 [0,0,0,0,0,2|1,0,0]=3 3614 B13R0.201 CCC(=O)CSCCCCC(=O)OC 62a_100000747405_100000204269 [0,0,0,0,0,2|1,0,0]=3 3615 B13R0.201 CCC(=O)CSCCOCC(=O)OC 62a_100000090808_100000747405 [0,0,0,0,0,2|1,0,0]=3 3616 B13R0.201 CCC(=O)CSCCOCC(=O)OC 62a_100000747405_100000090808 [0,0,0,0,0,2|1,0,0]=3 3617 B13R0.201 CCC(=O)NCCCCCC(=O)OC 188690a_100000184999_100000210414 [0,0,0,0,0,2|1,0,0]=3 3618 B13R0.201 CCC(=O)NCCNCCC(=O)NC 34a_100132302217_100012179268 [0,0,0,0,0,2|2,0,0]=4 3619 B13R0.201 CCC(=O)NCCNCCC(=O)OC 34a_100132302217_100000742370 [0,0,0,0,0,2|1,0,0]=3 3620 B13R0.201 CCC(=O)NCCOCCC(=O)NC 34a_200000158885_100012179268 [0,0,0,0,0,2|2,0,0]=4 3621 B13R0.201 CCC(=O)NCCOCCC(=O)NC 7a_200000158885_100000737683 [0,0,0,0,0,2|2,0,0]=4 3622 B13R0.201 CCC(=O)NCCOCCC(=O)OC 188690a_100102954618_100000210414 [0,0,0,0,0,2|1,0,0]=3 3623 B13R0.201 CCC(=O)NCCOCCC(=O)OC 34a_200000158885_100000742370 [0,0,0,0,0,2|1,0,0]=3 3624 B13R0.201 CCC(=O)NCCOCCC(=O)OC 7a_200000158885_100000204255 [0,0,0,0,0,2|1,0,0]=3 3625 B13R0.201 CCC(=O)NN=CCCCC(=O)OC 4a_100000183195_100000094087 [0,0,0,0,0,2|1,0,1]=4 3626 B13R0.201 CCC(=O)OCCOCCC(=O)NC 7a_200000031056_100000737683 [0,0,0,0,0,2|2,0,0]=4 3627 B13R0.201 CCC(=O)OCCOCCC(=O)OC 7a_200000031056_100000204255 [0,0,0,0,0,2|1,0,0]=3 3628 B13R0.201 CNC(=O)CCCCCCC(=O)OC 11a_106832991635_100000036694 [0,0,0,0,0,2|1,0,0]=3 3629 B13R0.201 CNC(=O)CCCCCCC(=O)OC 1626a_100102657272_100000036694 [0,0,0,0,0,2|1,0,0]=3 3630 B13R0.201 CNC(=O)CCCCCCC(=O)OC 240690a_100102657272_100000036694 [0,0,0,0,0,2|1,0,0]=3 3631 B13R0.201 CNC(=O)CCCNCCC(=O)NC 2230a_100000738227_100000741757 [0,0,0,0,0,2|2,0,0]=4 3632 B13R0.201 CNC(=O)CCCNCCC(=O)NC 2230a_100000740002_100000737683 [0,0,0,0,0,2|2,0,0]=4 3633 B13R0.201 CNC(=O)CCCNCCC(=O)NC 34a_100000738227_100000741757 [0,0,0,0,0,2|2,0,0]=4 3634 B13R0.201 CNC(=O)CCCNCCC(=O)NC 34a_100000740002_100012179268 [0,0,0,0,0,2|2,0,0]=4 3635 B13R0.201 CNC(=O)CCCNCCC(=O)OC 2230a_100000740002_100000204255 [0,0,0,0,0,2|1,0,0]=3 3636 B13R0.201 CNC(=O)CCCNCCC(=O)OC 34a_100000740002_100000742370 [0,0,0,0,0,2|1,0,0]=3 3637 B13R0.201 CNC(=O)CCCOCCC(=O)NC 34a_100000754576_100000741757 [0,0,0,0,0,2|2,0,0]=4 3638 B13R0.201 CNC(=O)CCCSCCC(=O)NC 62a_100000737683_100000741757 [0,0,0,0,0,2|2,0,0]=4 3639 B13R0.201 CNC(=O)CCCSCCC(=O)NC 62a_100000741757_100000737683 [0,0,0,0,0,2|2,0,0]=4 3640 B13R0.201 CNC(=O)CCCSCCC(=O)OC 62a_100000204255_100000741757 [0,0,0,0,0,2|1,0,0]=3 3641 B13R0.201 CNC(=O)CCCSCCC(=O)OC 62a_100000741757_100000204255 [0,0,0,0,0,2|1,0,0]=3 3642 B13R0.201 CNC(=O)CCCSCOC(=O)OC 62a_100000741757_100000139417 [0,0,0,0,0,2|1,0,0]=3 3643 B13R0.201 CNC(=O)CCNC/C=C/C(=O)OC 2230a_100000738227_100000742655 [0,0,0,0,0,2|1,0,1]=4 3644 B13R0.201 CNC(=O)CCNC/C=C/C(=O)OC 34a_100000738227_100000742655 [0,0,0,0,0,2|1,0,1]=4 3645 B13R0.201 CNC(=O)CCNCCCC(=O)OC 2230a_100000738227_100011218270 [0,0,0,0,0,2|1,0,0]=3 3646 B13R0.201 CNC(=O)CCNCCCC(=O)OC 34a_100000738227_100000742333 [0,0,0,0,0,2|1,0,0]=3 3647 B13R0.201 CNC(=O)CCNCCNC(=O)NC 34a_100015205895_100012179268 [0,0,0,0,0,2|2,0,0]=4 3648 B13R0.201 CNC(=O)CCNCCOC(=O)NC 34a_100000738227_200011997002 [0,0,0,0,0,2|2,0,0]=4 3649 B13R0.201 CNC(=O)CCOC/C=C/C(=O)OC 34a_100000754576_100000742655 [0,0,0,0,0,2|1,0,1]=4 3650 B13R0.201 CNC(=O)CCOCCCC(=O)OC 34a_100000754576_100000742333 [0,0,0,0,0,2|1,0,0]=3 3651 B13R0.201 CNC(=O)CCOCCNC(=O)OC 34a_100000757965_100012179268 [0,0,0,0,0,2|1,0,0]=3 3652 B13R0.201 CNC(=O)CCOCCOC(=O)NC 34a_100000754576_200011997002 [0,0,0,0,0,2|2,0,0]=4 3653 B13R0.201 CNC(=O)CCOCCOC(=O)OC 34a_100010262106_100012179268 [0,0,0,0,0,2|1,0,0]=3 3654 B13R0.201 CNC(=O)CCSC/C=C/C(=O)OC 62a_100000737683_100000742655 [0,0,0,0,0,2|1,0,1]=4 3655 B13R0.201 CNC(=O)CCSC/C=C/C(=O)OC 62a_100000742655_100000737683 [0,0,0,0,0,2|1,0,1]=4 3656 B13R0.201 CNC(=O)CCSCCCC(=O)OC 62a_100000737683_100011218270 [0,0,0,0,0,2|1,0,0]=3 3657 B13R0.201 CNC(=O)CCSCCCC(=O)OC 62a_100011218270_100000737683 [0,0,0,0,0,2|1,0,0]=3 3658 B13R0.201 CNC(=O)CCSCCOC(=O)NC 62a_100000737683_200011997002 [0,0,0,0,0,2|2,0,0]=4 3659 B13R0.201 CNC(=O)CCSCCOC(=O)NC 62a_200011997002_100000737683 [0,0,0,0,0,2|2,0,0]=4 3660 B13R0.201 CNC(=O)CNCCCCC(=O)OC 2230a_100000693194_100000204269 [0,0,0,0,0,2|1,0,0]=3 3661 B13R0.201 CNC(=O)CNCCOCC(=O)OC 2230a_100000693194_100000090808 [0,0,0,0,0,2|1,0,0]=3 3662 B13R0.201 CNC(=O)COCCCCC(=O)OC 34a_100000059025_100000183359 [0,0,0,0,0,2|1,0,0]=3 3663 B13R0.201 CNC(=O)COCCCCC(=O)OC 34a_100000750040_100000204269 [0,0,0,0,0,2|1,0,0]=3 3664 B13R0.201 CNC(=O)COCCCCC(=O)OC 7a_100000059025_100000183359 [0,0,0,0,0,2|1,0,0]=3 3665 B13R0.201 CNC(=O)COCCOCC(=O)OC 34a_100000750040_100000090808 [0,0,0,0,0,2|1,0,0]=3 3666 B13R0.201 CNC(=O)CSCCCCC(=O)OC 62a_100000183359_100000204269 [0,0,0,0,0,2|1,0,0]=3 3667 B13R0.201 CNC(=O)CSCCCCC(=O)OC 62a_100000204269_100000183359 [0,0,0,0,0,2|1,0,0]=3 3668 B13R0.201 CNC(=O)CSCCOCC(=O)OC 62a_100000090808_100000183359 [0,0,0,0,0,2|1,0,0]=3 3669 B13R0.201 CNC(=O)CSCCOCC(=O)OC 62a_100000183359_100000090808 [0,0,0,0,0,2|1,0,0]=3 3670 B13R0.201 CNC(=O)NCCNCCC(=O)OC 34a_100015205895_100000742370 [0,0,0,0,0,2|1,0,0]=3 3671 B13R0.201 CNC(=O)OCCSCCC(=O)OC 62a_100000204255_200011997002 [0,0,0,0,0,2|1,0,0]=3 3672 B13R0.201 CNC(=O)OCCSCCC(=O)OC 62a_200011997002_100000204255 [0,0,0,0,0,2|1,0,0]=3 3673 B13R0.201 CNC(=O)OCCSCOC(=O)OC 62a_200011997002_100000139417 [0,0,0,0,0,2|2,0,0]=4 3674 B13R0.201 COC(=O)/C=C/CSCCC(=O)OC 62a_100000204255_100000742655 [0,0,0,0,0,2|0,0,1]=3 3675 B13R0.201 COC(=O)/C=C/CSCCC(=O)OC 62a_100000742655_100000204255 [0,0,0,0,0,2|0,0,1]=3 3676 B13R0.201 COC(=O)/C=C/CSCOC(=O)OC 62a_100000742655_100000139417 [0,0,0,0,0,2|0,0,2]=4 3677 B13R0.201 COC(=O)CCCCCCC(=O)CF 1458a_100000036694_100015361967 [0,0,0,0,0,2|2,0,0]=4 3678 B13R0.201 COC(=O)CCCCCCC(=O)CO 1458a_100000210174_100009815986 [0,0,0,0,0,2|2,0,0]=4 3679 B13R0.201 COC(=O)CCCCCNC(=O)CO 188690a_100000184999_100000210174 [0,0,0,0,0,2|2,0,0]=4 3680 B13R0.201 COC(=O)CCCCCSC(C)OC 62a_100009816466_100009879195 [0,0,0,0,0,2|1,0,1]=4 3681 B13R0.201 COC(=O)CCCCCSC(C)OC 62a_100009879195_100009816466 [0,0,0,0,0,2|1,0,1]=4 3682 B13R0.201 COC(=O)CCCCNC[C@@H](C)OC 2230a_100020591295_100000204269 [0,0,0,0,0,2|1,0,1]=4 3683 B13R0.201 COC(=O)CCCCOCC(=O)OC 34a_100000059025_100000747449 [0,0,0,0,0,2|0,0,0]=2 3684 B13R0.201 COC(=O)CCCCOCC(=O)OC 7a_100000059025_100000747449 [0,0,0,0,0,2|0,0,0]=2 3685 B13R0.201 COC(=O)CCCCOCC(C)OC 34a_100000690652_100000204269 [0,0,0,0,0,2|1,0,1]=4 3686 B13R0.201 COC(=O)CCCCSCC(=O)OC 62a_100000204269_100000747449 [0,0,0,0,0,2|0,0,0]=2 3687 B13R0.201 COC(=O)CCCCSCC(=O)OC 62a_100000747449_100000204269 [0,0,0,0,0,2|0,0,0]=2 3688 B13R0.201 COC(=O)CCCOCCC(C)OC 7a_100000764861_100011218270 [0,0,0,0,0,2|1,0,1]=4 3689 B13R0.201 COC(=O)CCCSCCC(=O)OC 62a_100000204255_100011218270 [0,0,0,0,0,2|0,0,0]=2 3690 B13R0.201 COC(=O)CCCSCCC(=O)OC 62a_100011218270_100000204255 [0,0,0,0,0,2|0,0,0]=2 3691 B13R0.201 COC(=O)CCCSCOC(=O)OC 62a_100011218270_100000139417 [0,0,0,0,0,2|0,0,0]=2 3692 B13R0.201 COC(=O)CCOCCCC(=O)NN 34a_100000211488_100000742370 [0,0,0,0,0,2|2,0,0]=4 3693 B13R0.201 COC(=O)CCOCCNC(=O)CO 188690a_100102954618_100000210174 [0,0,0,0,0,2|2,0,0]=4 3694 B13R0.201 COC(=O)CCOCCNC(=O)OC 34a_100000757965_100000742370 [0,0,0,0,0,2|0,0,0]=2 3695 B13R0.201 COC(=O)CCOCCOC(=O)OC 34a_100010262106_100000742370 [0,0,0,0,0,2|0,0,0]=2 3696 B13R0.201 COC(=O)COCCNC[C@@H](C)OC 2230a_100020591295_100000090808 [0,0,0,0,0,2|1,0,1]=4 3697 B13R0.201 COC(=O)COCCOCC(C)OC 34a_100000690652_100000090808 [0,0,0,0,0,2|1,0,1]=4 3698 B13R0.201 COC(=O)COCCSCC(=O)OC 62a_100000090808_100000747449 [0,0,0,0,0,2|0,0,0]=2 3699 B13R0.201 COC(=O)COCCSCC(=O)OC 62a_100000747449_100000090808 [0,0,0,0,0,2|0,0,0]=2