0 B11R0.40 C#CC(=O)CCCCCCCC 1458a_100000211873_100000210759 [0,0,0,0,0,0|1,0,3]=4 1 B11R0.40 C#CCCCCNCC(=O)OC 2230a_100000706060_100000747449 [0,0,0,0,0,0|1,0,3]=4 2 B11R0.40 C#CCCCCNCC(=O)OC 34a_100000706060_100000747449 [0,0,0,0,0,0|1,0,3]=4 3 B11R0.40 C#CCCCCOCC(=O)OC 34a_100000766709_100000747449 [0,0,0,0,0,0|1,0,3]=4 4 B11R0.40 C#CCCCCOCC(=O)OC 7a_100000766709_100000747449 [0,0,0,0,0,0|1,0,3]=4 5 B11R0.40 C#CCCCCSCC(=O)OC 62a_100000747449_100010269958 [0,0,0,0,0,0|1,0,3]=4 6 B11R0.40 C#CCCCCSCC(=O)OC 62a_100010269958_100000747449 [0,0,0,0,0,0|1,0,3]=4 7 B11R0.40 C#CCCNC/C=C/C(=O)OC 34a_100000755551_100000742655 [0,0,0,0,0,0|1,0,2]=3 8 B11R0.40 C#CCCOC/C=C/C(=O)OC 34a_100011215631_100000742655 [0,0,0,0,0,0|1,0,2]=3 9 B11R0.40 C#CCCSC/C=C/C(=O)OC 62a_100000688953_100000742655 [0,0,0,0,0,0|1,0,2]=3 10 B11R0.40 C#CCCSC/C=C/C(=O)OC 62a_100000742655_100000688953 [0,0,0,0,0,0|1,0,2]=3 11 B11R0.40 C/C=C(\C)/C=NNCCCCC 4a_100000694160_100020587592 [0,0,0,0,0,0|4,0,0]=4 12 B11R0.40 C/C=C/COC/C=C/C(=O)OC 34a_100016270725_100000742655 [0,0,0,0,0,0|1,0,2]=3 13 B11R0.40 C/C=C/CSC/C=C/C(=O)OC 62a_100000742655_100102629194 [0,0,0,0,0,0|1,0,2]=3 14 B11R0.40 C/C=C/CSC/C=C/C(=O)OC 62a_100102629194_100000742655 [0,0,0,0,0,0|1,0,2]=3 15 B11R0.40 C=CC(=O)CCCCCCCC 1458a_100000185746_100000210759 [0,0,0,0,0,0|1,0,3]=4 16 B11R0.40 C=CC(=O)NCCCCCCC 1626a_100000229938_100000185746 [0,0,0,0,0,0|2,0,2]=4 17 B11R0.40 C=CC(=O)NCCCCCCC 240690a_100000229938_200121576911 [0,0,0,0,0,0|2,0,2]=4 18 B11R0.40 C=CCCCCNCC(=O)OC 2230a_100000703577_100000747449 [0,0,0,0,0,0|1,0,3]=4 19 B11R0.40 C=CCCCCNCC(=O)OC 34a_100000703577_100000747449 [0,0,0,0,0,0|1,0,3]=4 20 B11R0.40 C=CCCCCOCC(=O)OC 34a_100000766645_100000747449 [0,0,0,0,0,0|1,0,3]=4 21 B11R0.40 C=CCCCCOCC(=O)OC 7a_100000766645_100000747449 [0,0,0,0,0,0|1,0,3]=4 22 B11R0.40 C=CCCCCSCC(=O)OC 62a_100000747449_100011215482 [0,0,0,0,0,0|1,0,3]=4 23 B11R0.40 C=CCCCCSCC(=O)OC 62a_100011215482_100000747449 [0,0,0,0,0,0|1,0,3]=4 24 B11R0.40 C=CCCNC/C=C/C(=O)OC 2230a_100015191253_100000742655 [0,0,0,0,0,0|1,0,2]=3 25 B11R0.40 C=CCCOC/C=C/C(=O)OC 34a_100011205117_100000742655 [0,0,0,0,0,0|1,0,2]=3 26 B11R0.40 C=CCCSC/C=C/C(=O)OC 62a_100000742655_100000754431 [0,0,0,0,0,0|1,0,2]=3 27 B11R0.40 C=CCCSC/C=C/C(=O)OC 62a_100000754431_100000742655 [0,0,0,0,0,0|1,0,2]=3 28 B11R0.40 CC#CCNC/C=C/C(=O)OC 2230a_100000685387_100000742655 [0,0,0,0,0,0|1,0,2]=3 29 B11R0.40 CC#CCNC/C=C/C(=O)OC 34a_100000685387_100000742655 [0,0,0,0,0,0|1,0,2]=3 30 B11R0.40 CC#CCOC/C=C/C(=O)OC 34a_100000761923_100000742655 [0,0,0,0,0,0|1,0,2]=3 31 B11R0.40 CC#CCSC/C=C/C(=O)OC 62a_100000742655_100000748600 [0,0,0,0,0,0|1,0,2]=3 32 B11R0.40 CC#CCSC/C=C/C(=O)OC 62a_100000748600_100000742655 [0,0,0,0,0,0|1,0,2]=3 33 B11R0.40 CC/C=C\CCOCC(=O)OC 34a_100016288707_100000747449 [0,0,0,0,0,0|1,0,3]=4 34 B11R0.40 CC/C=C\CCOCC(=O)OC 7a_100016288707_100000747449 [0,0,0,0,0,0|1,0,3]=4 35 B11R0.40 CC/C=C\CCSCC(=O)OC 62a_100000747449_100015370543 [0,0,0,0,0,0|1,0,3]=4 36 B11R0.40 CC/C=C\CCSCC(=O)OC 62a_100015370543_100000747449 [0,0,0,0,0,0|1,0,3]=4 37 B11R0.40 CC=CCCCOCC(=O)OC 34a_100020645299_100000747449 [0,0,0,0,0,0|1,0,3]=4 38 B11R0.40 CC=CCSC/C=C/C(=O)OC 62a_100000070051_100000742655 [0,0,0,0,0,0|1,0,2]=3 39 B11R0.40 CC=CCSC/C=C/C(=O)OC 62a_100000742655_100000070051 [0,0,0,0,0,0|1,0,2]=3 40 B11R0.40 CCC#CCCOCC(=O)OC 34a_100000036655_100000747449 [0,0,0,0,0,0|1,0,3]=4 41 B11R0.40 CCC#CCCOCC(=O)OC 7a_100000036655_100000747449 [0,0,0,0,0,0|1,0,3]=4 42 B11R0.40 CCC(=O)CCCCCCCO 1458a_100000210414_100000760002 [0,0,0,0,0,0|2,0,2]=4 43 B11R0.40 CCC(=O)CCCCCCCO 1458a_100011219782_100000210202 [0,0,0,0,0,0|2,0,2]=4 44 B11R0.40 CCC(=O)CCCCCCOC 1458a_100000210414_100011998445 [0,0,0,0,0,0|2,0,2]=4 45 B11R0.40 CCC(=O)COCCCCCBr 7a_100000746331_100000747405 [0,0,0,0,0,0|3,0,1]=4 46 B11R0.40 CCC(=O)COCCCCCCl 7a_100000746330_100000747405 [0,0,0,0,0,0|3,0,1]=4 47 B11R0.40 CCC(=O)COCCCCCF 34a_100000725409_100000729378 [0,0,0,0,0,0|3,0,1]=4 48 B11R0.40 CCC(=O)COCCCCCI 7a_200012148887_100000747405 [0,0,0,0,0,0|3,0,1]=4 49 B11R0.40 CCC(=O)COCCCCCO 34a_100000725409_100000746330 [0,0,0,0,0,0|3,0,1]=4 50 B11R0.40 CCC(=O)COCCCCOC 34a_100000725409_100000755781 [0,0,0,0,0,0|3,0,1]=4 51 B11R0.40 CCC(=O)COCCCCSC 7a_100011217163_100000747405 [0,0,0,0,0,0|3,0,1]=4 52 B11R0.40 CCC(=O)CSCCCCCF 62a_100000729378_100000747405 [0,0,0,0,0,0|3,0,1]=4 53 B11R0.40 CCC(=O)CSCCCCCF 62a_100000747405_100000729378 [0,0,0,0,0,0|3,0,1]=4 54 B11R0.40 CCC(=O)CSCCCCCO 62a_100000746330_100000747405 [0,0,0,0,0,0|3,0,1]=4 55 B11R0.40 CCC(=O)CSCCCCCO 62a_100000747405_100000746330 [0,0,0,0,0,0|3,0,1]=4 56 B11R0.40 CCC(=O)CSCCCCOC 62a_100000730899_100000747405 [0,0,0,0,0,0|3,0,1]=4 57 B11R0.40 CCC(=O)CSCCCCOC 62a_100000747405_100000730899 [0,0,0,0,0,0|3,0,1]=4 58 B11R0.40 CCC(=O)NCCCCCCO 240690a_100000686447_100000210414 [0,0,0,0,0,0|3,0,1]=4 59 B11R0.40 CCC(=O)NCCCCCCO 527a_100000686447_100000210414 [0,0,0,0,0,0|3,0,1]=4 60 B11R0.40 CCC(=O)NCCCCCOC 11a_100000747528_100000210414 [0,0,0,0,0,0|3,0,1]=4 61 B11R0.40 CCC(=O)NCCCCCOC 1626a_100000747528_100000210414 [0,0,0,0,0,0|3,0,1]=4 62 B11R0.40 CCC(=O)NCCCCCOC 240690a_100000747528_100000210414 [0,0,0,0,0,0|3,0,1]=4 63 B11R0.40 CCC(=O)NCCCCCOC 527a_100000747528_100000210414 [0,0,0,0,0,0|3,0,1]=4 64 B11R0.40 CCC/C=C/COCC(=O)OC 34a_100016278788_100000747449 [0,0,0,0,0,0|1,0,3]=4 65 B11R0.40 CCC/C=C/COCC(=O)OC 7a_100016278788_100000747449 [0,0,0,0,0,0|1,0,3]=4 66 B11R0.40 CCCC#CCOCC(=O)OC 34a_100000034806_100000747449 [0,0,0,0,0,0|1,0,3]=4 67 B11R0.40 CCCC#CCOCC(=O)OC 7a_100000034806_100000747449 [0,0,0,0,0,0|1,0,3]=4 68 B11R0.40 CCCCC/C=C/CC(=O)CC 1458a_100020675968_100000210202 [0,0,0,0,0,0|1,0,2]=3 69 B11R0.40 CCCCC/C=C/CC(=O)CF 1458a_100020675968_100015361967 [0,0,0,0,0,0|2,0,2]=4 70 B11R0.40 CCCCC/C=C/CC(=O)NC 11a_106832991635_100020675968 [0,0,0,0,0,0|1,0,2]=3 71 B11R0.40 CCCCC/C=C/CC(=O)NC 1626a_100102657272_100020675968 [0,0,0,0,0,0|1,0,2]=3 72 B11R0.40 CCCCC/C=C/CC(=O)NC 240690a_100102657272_100020675968 [0,0,0,0,0,0|1,0,2]=3 73 B11R0.40 CCCCCC#CCC(=O)CC 1458a_100000210414_100009816472 [0,0,0,0,0,0|1,0,3]=4 74 B11R0.40 CCCCCC=NNC(=O)CC 4a_100000183195_100000737632 [0,0,0,0,0,0|3,0,1]=4 75 B11R0.40 CCCCCCC=CC(=O)CC 1458a_200015324643_100000210202 [0,0,0,0,0,0|1,0,0]=1 76 B11R0.40 CCCCCCC=CC(=O)CF 1458a_200015324643_100015361967 [0,0,0,0,0,0|2,0,0]=2 77 B11R0.40 CCCCCCC=CC(=O)NC 11a_106832991635_200015324643 [0,0,0,0,0,0|1,0,0]=1 78 B11R0.40 CCCCCCC=CC(=O)NC 1626a_100102657272_200015324643 [0,0,0,0,0,0|1,0,0]=1 79 B11R0.40 CCCCCCC=CC(=O)NC 240690a_100102657272_200015324643 [0,0,0,0,0,0|1,0,0]=1 80 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210188_100000210202 [0,0,0,0,0,0|1,0,2]=3 81 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210414_100000210759 [0,0,0,0,0,0|1,0,2]=3 82 B11R0.40 CCCCCCCCC(=O)CF 1458a_100000210188_100015361967 [0,0,0,0,0,0|2,0,2]=4 83 B11R0.40 CCCCCCCCC(=O)CO 1458a_100000210174_100000210759 [0,0,0,0,0,0|2,0,2]=4 84 B11R0.40 CCCCCCCCC(=O)NC 11a_106832991635_100000210188 [0,0,0,0,0,0|1,0,2]=3 85 B11R0.40 CCCCCCCCC(=O)NC 1626a_100102657272_100000210188 [0,0,0,0,0,0|1,0,2]=3 86 B11R0.40 CCCCCCCCC(=O)NC 240690a_100102657272_100000210188 [0,0,0,0,0,0|1,0,2]=3 87 B11R0.40 CCCCCCCCC(=O)NC 527a_100102657272_100000210188 [0,0,0,0,0,0|1,0,2]=3 88 B11R0.40 CCCCCCCCC(C)OC 34a_100000210740_200000210301 [0,0,0,0,0,0|1,0,3]=4 89 B11R0.40 CCCCCCCCC(C)OC 7a_100000210740_200000210301 [0,0,0,0,0,0|1,0,3]=4 90 B11R0.40 CCCCCCCCC(C)O[13CH3] 34a_100000210740_200025704644 [0,0,0,0,0,0|1,0,3]=4 91 B11R0.40 CCCCCCCCC(C)O[13CH3] 7a_100000210740_200025704644 [0,0,0,0,0,0|1,0,3]=4 92 B11R0.40 CCCCCCCNC(=O)CC 11a_100000229938_100000210414 [0,0,0,0,0,0|2,0,1]=3 93 B11R0.40 CCCCCCCNC(=O)CC 1626a_100000229938_100000210414 [0,0,0,0,0,0|2,0,1]=3 94 B11R0.40 CCCCCCCNC(=O)CC 240690a_100000229938_100000210414 [0,0,0,0,0,0|2,0,1]=3 95 B11R0.40 CCCCCCCNC(=O)CC 527a_100000229938_100000210414 [0,0,0,0,0,0|2,0,1]=3 96 B11R0.40 CCCCCCCNC(=O)CO 240690a_100000229938_100000210174 [0,0,0,0,0,0|3,0,1]=4 97 B11R0.40 CCCCCCCNC(=O)CO 527a_100000229938_100000210174 [0,0,0,0,0,0|3,0,1]=4 98 B11R0.40 CCCCCCCNC(=O)NC 2708a_100000229938_106832991635 [0,0,0,0,0,0|2,0,1]=3 99 B11R0.40 CCCCCCCNC(=O)NC 2708a_100102657272_100000229938 [0,0,0,0,0,0|2,0,1]=3 100 B11R0.40 CCCCCCCNC(=O)NC 273464a_100000229938_100102657272 [0,0,0,0,0,0|2,0,1]=3 101 B11R0.40 CCCCCCCNC(=O)NC 273464a_100102657272_100000229938 [0,0,0,0,0,0|2,0,1]=3 102 B11R0.40 CCCCCCCNC(=O)NC 512a_100000229938_100102657272 [0,0,0,0,0,0|2,0,1]=3 103 B11R0.40 CCCCCCCNC(=O)NC 512a_106832991638_100000229938 [0,0,0,0,0,0|2,0,1]=3 104 B11R0.40 CCCCCCCSC(C)OC 62a_100000210614_100009879195 [0,0,0,0,0,0|2,0,2]=4 105 B11R0.40 CCCCCCCSC(C)OC 62a_100009879195_100000210316 [0,0,0,0,0,0|2,0,2]=4 106 B11R0.40 CCCCCCNCC(=O)NC 2230a_100000210581_100000183359 [0,0,0,0,0,0|2,0,1]=3 107 B11R0.40 CCCCCCNCC(=O)NC 2230a_100000693194_100000210314 [0,0,0,0,0,0|2,0,1]=3 108 B11R0.40 CCCCCCNCC(=O)OC 2230a_100000210581_100000747449 [0,0,0,0,0,0|1,0,1]=2 109 B11R0.40 CCCCCCNC[C@@H](C)OC 2230a_100020591295_100000210314 [0,0,0,0,0,0|2,0,2]=4 110 B11R0.40 CCCCCCOCC(=O)CC 34a_100000725409_100000210314 [0,0,0,0,0,0|2,0,1]=3 111 B11R0.40 CCCCCCOCC(=O)CC 7a_100000210259_100000747405 [0,0,0,0,0,0|2,0,1]=3 112 B11R0.40 CCCCCCOCC(=O)NC 34a_100000210259_100000183359 [0,0,0,0,0,0|2,0,1]=3 113 B11R0.40 CCCCCCOCC(=O)NC 34a_100000750040_100000210314 [0,0,0,0,0,0|2,0,1]=3 114 B11R0.40 CCCCCCOCC(=O)NC 7a_100000210259_100000183359 [0,0,0,0,0,0|2,0,1]=3 115 B11R0.40 CCCCCCOCC(=O)OC 34a_100000210259_100000747449 [0,0,0,0,0,0|1,0,1]=2 116 B11R0.40 CCCCCCOCC(=O)OC 7a_100000210259_100000747449 [0,0,0,0,0,0|1,0,1]=2 117 B11R0.40 CCCCCCOCC(C)OC 34a_100000690652_100000210314 [0,0,0,0,0,0|2,0,2]=4 118 B11R0.40 CCCCCCSCC(=O)CC 62a_100000210314_100000747405 [0,0,0,0,0,0|2,0,1]=3 119 B11R0.40 CCCCCCSCC(=O)CC 62a_100000747405_100000210757 [0,0,0,0,0,0|2,0,1]=3 120 B11R0.40 CCCCCCSCC(=O)NC 62a_100000183359_100000210757 [0,0,0,0,0,0|2,0,1]=3 121 B11R0.40 CCCCCCSCC(=O)NC 62a_100000210314_100000183359 [0,0,0,0,0,0|2,0,1]=3 122 B11R0.40 CCCCCCSCC(=O)OC 62a_100000210314_100000747449 [0,0,0,0,0,0|1,0,1]=2 123 B11R0.40 CCCCCCSCC(=O)OC 62a_100000747449_100000210757 [0,0,0,0,0,0|1,0,1]=2 124 B11R0.40 CCCCCNCCC(=O)NC 2230a_100000209983_100000737683 [0,0,0,0,0,0|2,0,2]=4 125 B11R0.40 CCCCCNCCC(=O)NC 2230a_100000738227_100000210326 [0,0,0,0,0,0|2,0,2]=4 126 B11R0.40 CCCCCNCCC(=O)NC 34a_100000738227_100000718602 [0,0,0,0,0,0|2,0,2]=4 127 B11R0.40 CCCCCNCCC(=O)OC 2230a_100000209983_100000204255 [0,0,0,0,0,0|1,0,2]=3 128 B11R0.40 CCCCCNN=CC(=O)OC 4a_100000694160_200011823558 [0,0,0,0,0,0|2,0,0]=2 129 B11R0.40 CCCCCOCCC(=O)NC 34a_100000210253_100012179268 [0,0,0,0,0,0|2,0,2]=4 130 B11R0.40 CCCCCOCCC(=O)NC 34a_100000754576_100000718602 [0,0,0,0,0,0|2,0,2]=4 131 B11R0.40 CCCCCOCCC(=O)NC 7a_100000210253_100000737683 [0,0,0,0,0,0|2,0,2]=4 132 B11R0.40 CCCCCOCCC(=O)OC 34a_100000210253_100000742370 [0,0,0,0,0,0|1,0,2]=3 133 B11R0.40 CCCCCOCCC(=O)OC 7a_100000210253_100000204255 [0,0,0,0,0,0|1,0,2]=3 134 B11R0.40 CCCCCSCCC(=O)NC 62a_100000210326_100000737683 [0,0,0,0,0,0|2,0,2]=4 135 B11R0.40 CCCCCSCCC(=O)NC 62a_100000737683_100000210326 [0,0,0,0,0,0|2,0,2]=4 136 B11R0.40 CCCCCSCCC(=O)OC 62a_100000204255_100000210326 [0,0,0,0,0,0|1,0,2]=3 137 B11R0.40 CCCCCSCCC(=O)OC 62a_100000210326_100000204255 [0,0,0,0,0,0|1,0,2]=3 138 B11R0.40 CCCCCSCOC(=O)OC 62a_100000210326_100000139417 [0,0,0,0,0,0|2,0,1]=3 139 B11R0.40 CCCCNC/C=C/C(=O)OC 2230a_100000102301_100000742655 [0,0,0,0,0,0|1,0,0]=1 140 B11R0.40 CCCCNC/C=C/C(=O)OC 7a_106832991798_100000742655 [0,0,0,0,0,0|1,0,0]=1 141 B11R0.40 CCCCNCCCC(=O)NC 2230a_100000102301_100000741757 [0,0,0,0,0,0|2,0,2]=4 142 B11R0.40 CCCCNCCCC(=O)NC 2230a_100000740002_100000210211 [0,0,0,0,0,0|2,0,2]=4 143 B11R0.40 CCCCNCCCC(=O)NC 34a_100000740002_100000210210 [0,0,0,0,0,0|2,0,2]=4 144 B11R0.40 CCCCNCCCC(=O)NC 7a_106832991798_100000741757 [0,0,0,0,0,0|2,0,2]=4 145 B11R0.40 CCCCNCCCC(=O)OC 2230a_100000102301_100011218270 [0,0,0,0,0,0|1,0,2]=3 146 B11R0.40 CCCCNCCCC(=O)OC 7a_106832991798_100011218270 [0,0,0,0,0,0|1,0,2]=3 147 B11R0.40 CCCCNCCNC(=O)CC 34a_100132302217_100000210210 [0,0,0,0,0,0|3,0,1]=4 148 B11R0.40 CCCCNCCNC(=O)NC 34a_100015205895_100000210210 [0,0,0,0,0,0|3,0,1]=4 149 B11R0.40 CCCCNCCOC(=O)NC 7a_106832991798_200011997002 [0,0,0,0,0,0|3,0,1]=4 150 B11R0.40 CCCCNN=CCC(=O)OC 4a_100025702795_200011552997 [0,0,0,0,0,0|2,0,1]=3 151 B11R0.40 CCCCOC/C=C/C(=O)OC 34a_100000210227_100000742655 [0,0,0,0,0,0|1,0,0]=1 152 B11R0.40 CCCCOC/C=C/C(=O)OC 7a_100000210227_100000742655 [0,0,0,0,0,0|1,0,0]=1 153 B11R0.40 CCCCOCCCC(=O)NC 34a_100000210227_100000741757 [0,0,0,0,0,0|2,0,2]=4 154 B11R0.40 CCCCOCCCC(=O)NC 7a_100000210227_100000741757 [0,0,0,0,0,0|2,0,2]=4 155 B11R0.40 CCCCOCCCC(=O)OC 34a_100000210227_100000742333 [0,0,0,0,0,0|1,0,2]=3 156 B11R0.40 CCCCOCCCC(=O)OC 7a_100000210227_100011218270 [0,0,0,0,0,0|1,0,2]=3 157 B11R0.40 CCCCOCCNC(=O)CC 34a_200000158885_100000210210 [0,0,0,0,0,0|3,0,1]=4 158 B11R0.40 CCCCOCCNC(=O)CC 7a_200000158885_100000210211 [0,0,0,0,0,0|3,0,1]=4 159 B11R0.40 CCCCOCCNC(=O)OC 34a_100000757965_100000210210 [0,0,0,0,0,0|2,0,1]=3 160 B11R0.40 CCCCOCCOC(=O)CC 7a_200000031056_100000210211 [0,0,0,0,0,0|3,0,1]=4 161 B11R0.40 CCCCOCCOC(=O)NC 34a_100000210227_200011997002 [0,0,0,0,0,0|3,0,1]=4 162 B11R0.40 CCCCOCCOC(=O)NC 7a_100000210227_200011997002 [0,0,0,0,0,0|3,0,1]=4 163 B11R0.40 CCCCOCCOC(=O)OC 34a_100010262106_100000210210 [0,0,0,0,0,0|2,0,1]=3 164 B11R0.40 CCCCOCNCC(=O)NC 2230a_100000693194_100011995733 [0,0,0,0,0,0|3,0,1]=4 165 B11R0.40 CCCCOCOCC(=O)CC 34a_100000725409_100011995733 [0,0,0,0,0,0|3,0,1]=4 166 B11R0.40 CCCCOCOCC(=O)NC 34a_100000750040_100011995733 [0,0,0,0,0,0|3,0,1]=4 167 B11R0.40 CCCCOCSCC(=O)CC 62a_100000747405_100011995733 [0,0,0,0,0,0|3,0,1]=4 168 B11R0.40 CCCCOCSCC(=O)CC 62a_100011995733_100000747405 [0,0,0,0,0,0|3,0,1]=4 169 B11R0.40 CCCCOCSCC(=O)NC 62a_100000183359_100011995733 [0,0,0,0,0,0|3,0,1]=4 170 B11R0.40 CCCCOCSCC(=O)NC 62a_100011995733_100000183359 [0,0,0,0,0,0|3,0,1]=4 171 B11R0.40 CCCCOCSCC(=O)OC 62a_100000747449_100011995733 [0,0,0,0,0,0|2,0,1]=3 172 B11R0.40 CCCCOCSCC(=O)OC 62a_100011995733_100000747449 [0,0,0,0,0,0|2,0,1]=3 173 B11R0.40 CCCCSC/C=C/C(=O)OC 62a_100000210211_100000742655 [0,0,0,0,0,0|1,0,0]=1 174 B11R0.40 CCCCSC/C=C/C(=O)OC 62a_100000742655_100000210210 [0,0,0,0,0,0|1,0,0]=1 175 B11R0.40 CCCCSCCCC(=O)NC 62a_100000210211_100000741757 [0,0,0,0,0,0|2,0,2]=4 176 B11R0.40 CCCCSCCCC(=O)NC 62a_100000741757_100000210210 [0,0,0,0,0,0|2,0,2]=4 177 B11R0.40 CCCCSCCCC(=O)OC 62a_100000210211_100011218270 [0,0,0,0,0,0|1,0,2]=3 178 B11R0.40 CCCCSCCCC(=O)OC 62a_100011218270_100000210210 [0,0,0,0,0,0|1,0,2]=3 179 B11R0.40 CCCCSCCNC(=O)CC 11a_100025743550_100000210414 [0,0,0,0,0,0|3,0,1]=4 180 B11R0.40 CCCCSCCNC(=O)CC 1626a_100025743550_100000210414 [0,0,0,0,0,0|3,0,1]=4 181 B11R0.40 CCCCSCCNC(=O)CC 240690a_100025743550_100000210414 [0,0,0,0,0,0|3,0,1]=4 182 B11R0.40 CCCCSCCNC(=O)CC 527a_100025743550_100000210414 [0,0,0,0,0,0|3,0,1]=4 183 B11R0.40 CCCCSCCNC(=O)NC 2708a_100025743550_106832991635 [0,0,0,0,0,0|3,0,1]=4 184 B11R0.40 CCCCSCCNC(=O)NC 2708a_100102657272_100025743550 [0,0,0,0,0,0|3,0,1]=4 185 B11R0.40 CCCCSCCNC(=O)NC 273464a_100025743550_100102657272 [0,0,0,0,0,0|3,0,1]=4 186 B11R0.40 CCCCSCCNC(=O)NC 273464a_100102657272_100025743550 [0,0,0,0,0,0|3,0,1]=4 187 B11R0.40 CCCCSCCNC(=O)NC 512a_100025743550_100102657272 [0,0,0,0,0,0|3,0,1]=4 188 B11R0.40 CCCCSCCNC(=O)NC 512a_106832991638_100025743550 [0,0,0,0,0,0|3,0,1]=4 189 B11R0.40 CCCCSCCOC(=O)NC 62a_100000210211_200011997002 [0,0,0,0,0,0|3,0,1]=4 190 B11R0.40 CCCCSCCOC(=O)NC 62a_200011997002_100000210210 [0,0,0,0,0,0|3,0,1]=4 191 B11R0.40 CCCNN=CC=CC(=O)OC 4a_100000740057_100016254430 [0,0,0,0,0,0|2,0,1]=3 192 B11R0.40 CCCOCCCCC(=O)OC 34a_100000059025_100000210303 [0,0,0,0,0,0|1,0,2]=3 193 B11R0.40 CCCOCCCCC(=O)OC 34a_100000210258_100000204269 [0,0,0,0,0,0|1,0,2]=3 194 B11R0.40 CCCOCCCCC(=O)OC 7a_100000059025_100000210303 [0,0,0,0,0,0|1,0,2]=3 195 B11R0.40 CCCOCCCNC(=O)CC 1626a_100011217757_100000210414 [0,0,0,0,0,0|3,0,1]=4 196 B11R0.40 CCCOCCCNC(=O)CC 240690a_100011217757_100000210414 [0,0,0,0,0,0|3,0,1]=4 197 B11R0.40 CCCOCCCNC(=O)CC 527a_100011217757_100000210414 [0,0,0,0,0,0|3,0,1]=4 198 B11R0.40 CCCOCCCNC(=O)NC 2708a_100011217757_106832991635 [0,0,0,0,0,0|3,0,1]=4 199 B11R0.40 CCCOCCCNC(=O)NC 2708a_100102657272_100011217757 [0,0,0,0,0,0|3,0,1]=4 200 B11R0.40 CCCOCCCNC(=O)NC 273464a_100011217757_100102657272 [0,0,0,0,0,0|3,0,1]=4 201 B11R0.40 CCCOCCCNC(=O)NC 273464a_100102657272_100011217757 [0,0,0,0,0,0|3,0,1]=4 202 B11R0.40 CCCOCCCNC(=O)NC 512a_100011217757_100102657272 [0,0,0,0,0,0|3,0,1]=4 203 B11R0.40 CCCOCCCNC(=O)NC 512a_106832991638_100011217757 [0,0,0,0,0,0|3,0,1]=4 204 B11R0.40 CCCOCCNCC(=O)NC 2230a_100000693194_100011215938 [0,0,0,0,0,0|3,0,1]=4 205 B11R0.40 CCCOCCNCC(=O)NC 2230a_100161115042_100000183359 [0,0,0,0,0,0|3,0,1]=4 206 B11R0.40 CCCOCCNCC(=O)NC 34a_100161115042_100000183359 [0,0,0,0,0,0|3,0,1]=4 207 B11R0.40 CCCOCCNCC(=O)OC 2230a_100161115042_100000747449 [0,0,0,0,0,0|2,0,1]=3 208 B11R0.40 CCCOCCNCC(=O)OC 34a_100161115042_100000747449 [0,0,0,0,0,0|2,0,1]=3 209 B11R0.40 CCCOCCOCC(=O)CC 34a_100000725409_100011215938 [0,0,0,0,0,0|3,0,1]=4 210 B11R0.40 CCCOCCOCC(=O)CC 7a_100000752267_100000747405 [0,0,0,0,0,0|3,0,1]=4 211 B11R0.40 CCCOCCOCC(=O)NC 34a_100000750040_100011215938 [0,0,0,0,0,0|3,0,1]=4 212 B11R0.40 CCCOCCOCC(=O)NC 34a_100000752267_100000183359 [0,0,0,0,0,0|3,0,1]=4 213 B11R0.40 CCCOCCOCC(=O)NC 7a_100000752267_100000183359 [0,0,0,0,0,0|3,0,1]=4 214 B11R0.40 CCCOCCOCC(=O)OC 34a_100000210258_100000090808 [0,0,0,0,0,0|2,0,1]=3 215 B11R0.40 CCCOCCOCC(=O)OC 34a_100000752267_100000747449 [0,0,0,0,0,0|2,0,1]=3 216 B11R0.40 CCCOCCOCC(=O)OC 7a_100000752267_100000747449 [0,0,0,0,0,0|2,0,1]=3 217 B11R0.40 CCCOCCSCC(=O)CC 62a_100000747405_100011215938 [0,0,0,0,0,0|3,0,1]=4 218 B11R0.40 CCCOCCSCC(=O)CC 62a_100011215938_100000747405 [0,0,0,0,0,0|3,0,1]=4 219 B11R0.40 CCCOCCSCC(=O)NC 62a_100000183359_100011215938 [0,0,0,0,0,0|3,0,1]=4 220 B11R0.40 CCCOCCSCC(=O)NC 62a_100011215938_100000183359 [0,0,0,0,0,0|3,0,1]=4 221 B11R0.40 CCCOCCSCC(=O)OC 62a_100000747449_100011215938 [0,0,0,0,0,0|2,0,1]=3 222 B11R0.40 CCCOCCSCC(=O)OC 62a_100011215938_100000747449 [0,0,0,0,0,0|2,0,1]=3 223 B11R0.40 CCCSCCCCC(=O)OC 62a_100000204269_100000210303 [0,0,0,0,0,0|1,0,2]=3 224 B11R0.40 CCCSCCCCC(=O)OC 62a_100000210303_100000204269 [0,0,0,0,0,0|1,0,2]=3 225 B11R0.40 CCCSCCNCC(=O)NC 2230a_100020603323_100000183359 [0,0,0,0,0,0|3,0,1]=4 226 B11R0.40 CCCSCCNCC(=O)OC 2230a_100020603323_100000747449 [0,0,0,0,0,0|2,0,1]=3 227 B11R0.40 CCCSCCOCC(=O)CC 7a_200000230433_100000747405 [0,0,0,0,0,0|3,0,1]=4 228 B11R0.40 CCCSCCOCC(=O)NC 34a_200000230433_100000183359 [0,0,0,0,0,0|3,0,1]=4 229 B11R0.40 CCCSCCOCC(=O)NC 7a_200000230433_100000183359 [0,0,0,0,0,0|3,0,1]=4 230 B11R0.40 CCCSCCOCC(=O)OC 34a_200000230433_100000747449 [0,0,0,0,0,0|2,0,1]=3 231 B11R0.40 CCCSCCOCC(=O)OC 62a_100000090808_100000210303 [0,0,0,0,0,0|2,0,1]=3 232 B11R0.40 CCCSCCOCC(=O)OC 62a_100000210303_100000090808 [0,0,0,0,0,0|2,0,1]=3 233 B11R0.40 CCCSCCOCC(=O)OC 7a_200000230433_100000747449 [0,0,0,0,0,0|2,0,1]=3 234 B11R0.40 CCNCCCCCC(=O)OC 2230a_100015525214_100009816466 [0,0,0,0,0,0|1,0,2]=3 235 B11R0.40 CCOCCCCCC(=O)OC 34a_100000074720_100000210202 [0,0,0,0,0,0|1,0,2]=3 236 B11R0.40 CCOCCCCCC(=O)OC 34a_100121572206_100009816466 [0,0,0,0,0,0|1,0,2]=3 237 B11R0.40 CCOCCCCCC(=O)OC 7a_100000074720_100000210202 [0,0,0,0,0,0|1,0,2]=3 238 B11R0.40 CCOCCCNCC(=O)NC 2230a_100000210961_100000183359 [0,0,0,0,0,0|3,0,1]=4 239 B11R0.40 CCOCCCNCC(=O)NC 2230a_100000693194_100012232248 [0,0,0,0,0,0|3,0,1]=4 240 B11R0.40 CCOCCCNCC(=O)NC 34a_100000210961_100000183359 [0,0,0,0,0,0|3,0,1]=4 241 B11R0.40 CCOCCCNCC(=O)OC 2230a_100000210961_100000747449 [0,0,0,0,0,0|2,0,1]=3 242 B11R0.40 CCOCCCNCC(=O)OC 34a_100000210961_100000747449 [0,0,0,0,0,0|2,0,1]=3 243 B11R0.40 CCOCCCOCC(=O)CC 34a_100000725409_100012232248 [0,0,0,0,0,0|3,0,1]=4 244 B11R0.40 CCOCCCOCC(=O)CC 7a_100000757476_100000747405 [0,0,0,0,0,0|3,0,1]=4 245 B11R0.40 CCOCCCOCC(=O)NC 34a_100000750040_100012232248 [0,0,0,0,0,0|3,0,1]=4 246 B11R0.40 CCOCCCOCC(=O)NC 34a_100000757476_100000183359 [0,0,0,0,0,0|3,0,1]=4 247 B11R0.40 CCOCCCOCC(=O)NC 7a_100000757476_100000183359 [0,0,0,0,0,0|3,0,1]=4 248 B11R0.40 CCOCCCOCC(=O)OC 34a_100000757476_100000747449 [0,0,0,0,0,0|2,0,1]=3 249 B11R0.40 CCOCCCOCC(=O)OC 7a_100000757476_100000747449 [0,0,0,0,0,0|2,0,1]=3 250 B11R0.40 CCOCCCSCC(=O)CC 62a_100000747405_100012232248 [0,0,0,0,0,0|3,0,1]=4 251 B11R0.40 CCOCCCSCC(=O)CC 62a_100012232248_100000747405 [0,0,0,0,0,0|3,0,1]=4 252 B11R0.40 CCOCCCSCC(=O)NC 62a_100000183359_100012232248 [0,0,0,0,0,0|3,0,1]=4 253 B11R0.40 CCOCCCSCC(=O)NC 62a_100012232248_100000183359 [0,0,0,0,0,0|3,0,1]=4 254 B11R0.40 CCOCCCSCC(=O)OC 62a_100000747449_100012232248 [0,0,0,0,0,0|2,0,1]=3 255 B11R0.40 CCOCCCSCC(=O)OC 62a_100012232248_100000747449 [0,0,0,0,0,0|2,0,1]=3 256 B11R0.40 CCOCCNCCC(=O)OC 2230a_102516460346_100000204255 [0,0,0,0,0,0|2,0,2]=4 257 B11R0.40 CCOCCNCCC(=O)OC 34a_102516460346_100000742370 [0,0,0,0,0,0|2,0,2]=4 258 B11R0.40 CCOCCNN=CC(=O)OC 4a_100000732670_200011823558 [0,0,0,0,0,0|3,0,0]=3 259 B11R0.40 CCOCCOCCC(=O)OC 34a_100000210136_100000742370 [0,0,0,0,0,0|2,0,2]=4 260 B11R0.40 CCOCCOCCC(=O)OC 7a_100000210136_100000204255 [0,0,0,0,0,0|2,0,2]=4 261 B11R0.40 CCOCCSCCC(=O)OC 62a_100000204255_100011215890 [0,0,0,0,0,0|2,0,2]=4 262 B11R0.40 CCOCCSCCC(=O)OC 62a_100000210147_100000204255 [0,0,0,0,0,0|2,0,2]=4 263 B11R0.40 CCOCCSCOC(=O)OC 62a_100000210147_100000139417 [0,0,0,0,0,0|3,0,1]=4 264 B11R0.40 CCOCSC/C=C/C(=O)OC 62a_100000739092_100000742655 [0,0,0,0,0,0|2,0,0]=2 265 B11R0.40 CCOCSC/C=C/C(=O)OC 62a_100000742655_100000739092 [0,0,0,0,0,0|2,0,0]=2 266 B11R0.40 CCOCSCCCC(=O)OC 62a_100000739092_100011218270 [0,0,0,0,0,0|2,0,2]=4 267 B11R0.40 CCOCSCCCC(=O)OC 62a_100011218270_100000739092 [0,0,0,0,0,0|2,0,2]=4 268 B11R0.40 CCSCCCCCC(=O)OC 62a_100000210202_100009816466 [0,0,0,0,0,0|1,0,2]=3 269 B11R0.40 CCSCCCCCC(=O)OC 62a_100009816466_100000210202 [0,0,0,0,0,0|1,0,2]=3 270 B11R0.40 CCSCCCOCC(=O)CC 7a_100011216438_100000747405 [0,0,0,0,0,0|3,0,1]=4 271 B11R0.40 CCSCCCOCC(=O)NC 34a_100011216438_100000183359 [0,0,0,0,0,0|3,0,1]=4 272 B11R0.40 CCSCCCOCC(=O)NC 7a_100011216438_100000183359 [0,0,0,0,0,0|3,0,1]=4 273 B11R0.40 CCSCCCOCC(=O)OC 34a_100011216438_100000747449 [0,0,0,0,0,0|2,0,1]=3 274 B11R0.40 CCSCCCOCC(=O)OC 7a_100011216438_100000747449 [0,0,0,0,0,0|2,0,1]=3 275 B11R0.40 CCSCCNCCC(=O)OC 2230a_100000106463_100000204255 [0,0,0,0,0,0|2,0,2]=4 276 B11R0.40 CCSCCOCCC(=O)OC 34a_100000212035_100000742370 [0,0,0,0,0,0|2,0,2]=4 277 B11R0.40 CCSCCOCCC(=O)OC 7a_100000212035_100000204255 [0,0,0,0,0,0|2,0,2]=4 278 B11R0.40 CCSCCSCCC(=O)OC 62a_100000204255_100000757381 [0,0,0,0,0,0|2,0,2]=4 279 B11R0.40 CCSCCSCCC(=O)OC 62a_100000757381_100000204255 [0,0,0,0,0,0|2,0,2]=4 280 B11R0.40 CCSCCSCOC(=O)OC 62a_100000757381_100000139417 [0,0,0,0,0,0|3,0,1]=4 281 B11R0.40 CNC(=O)CCCCCCCO 240690a_100102657272_100011219782 [0,0,0,0,0,0|2,0,2]=4 282 B11R0.40 CNC(=O)CNCCCCCF 2230a_100000693194_100000729378 [0,0,0,0,0,0|3,0,1]=4 283 B11R0.40 CNC(=O)CNCCCCCO 2230a_100000693194_100000746330 [0,0,0,0,0,0|3,0,1]=4 284 B11R0.40 CNC(=O)CNCCCCCO 2230a_100000762737_100000183359 [0,0,0,0,0,0|3,0,1]=4 285 B11R0.40 CNC(=O)CNCCCCCO 34a_100000762737_100000183359 [0,0,0,0,0,0|3,0,1]=4 286 B11R0.40 CNC(=O)CNCCCCOC 2230a_100000693194_100000730899 [0,0,0,0,0,0|3,0,1]=4 287 B11R0.40 CNC(=O)COCCCCCBr 34a_100000746331_100000183359 [0,0,0,0,0,0|3,0,1]=4 288 B11R0.40 CNC(=O)COCCCCCBr 7a_100000746331_100000183359 [0,0,0,0,0,0|3,0,1]=4 289 B11R0.40 CNC(=O)COCCCCCCl 34a_100000746330_100000183359 [0,0,0,0,0,0|3,0,1]=4 290 B11R0.40 CNC(=O)COCCCCCCl 7a_100000746330_100000183359 [0,0,0,0,0,0|3,0,1]=4 291 B11R0.40 CNC(=O)COCCCCCF 34a_100000750040_100000729378 [0,0,0,0,0,0|3,0,1]=4 292 B11R0.40 CNC(=O)COCCCCCI 34a_200012148887_100000183359 [0,0,0,0,0,0|3,0,1]=4 293 B11R0.40 CNC(=O)COCCCCCI 7a_200012148887_100000183359 [0,0,0,0,0,0|3,0,1]=4 294 B11R0.40 CNC(=O)COCCCCCN 34a_100000762737_100000183359 [0,0,0,0,0,0|3,0,1]=4 295 B11R0.40 CNC(=O)COCCCCCO 34a_100000750040_100000746330 [0,0,0,0,0,0|3,0,1]=4 296 B11R0.40 CNC(=O)COCCCCOC 34a_100000740925_100000183359 [0,0,0,0,0,0|3,0,1]=4 297 B11R0.40 CNC(=O)COCCCCOC 34a_100000750040_100000755781 [0,0,0,0,0,0|3,0,1]=4 298 B11R0.40 CNC(=O)COCCCCSC 34a_100011217163_100000183359 [0,0,0,0,0,0|3,0,1]=4 299 B11R0.40 CNC(=O)COCCCCSC 7a_100011217163_100000183359 [0,0,0,0,0,0|3,0,1]=4 300 B11R0.40 CNC(=O)CSCCCCCF 62a_100000183359_100000729378 [0,0,0,0,0,0|3,0,1]=4 301 B11R0.40 CNC(=O)CSCCCCCF 62a_100000729378_100000183359 [0,0,0,0,0,0|3,0,1]=4 302 B11R0.40 CNC(=O)CSCCCCCO 62a_100000183359_100000746330 [0,0,0,0,0,0|3,0,1]=4 303 B11R0.40 CNC(=O)CSCCCCCO 62a_100000746330_100000183359 [0,0,0,0,0,0|3,0,1]=4 304 B11R0.40 CNC(=O)CSCCCCOC 62a_100000183359_100000730899 [0,0,0,0,0,0|3,0,1]=4 305 B11R0.40 CNC(=O)CSCCCCOC 62a_100000730899_100000183359 [0,0,0,0,0,0|3,0,1]=4 306 B11R0.40 CNC(=O)NCCCCCCO 2708a_100102657272_100000686447 [0,0,0,0,0,0|3,0,1]=4 307 B11R0.40 CNC(=O)NCCCCCCO 273464a_100000686447_100102657272 [0,0,0,0,0,0|3,0,1]=4 308 B11R0.40 CNC(=O)NCCCCCCO 273464a_100102657272_100000686447 [0,0,0,0,0,0|3,0,1]=4 309 B11R0.40 CNC(=O)NCCCCCCO 512a_100000686447_100102657272 [0,0,0,0,0,0|3,0,1]=4 310 B11R0.40 CNC(=O)NCCCCCCO 512a_106832991638_100000686447 [0,0,0,0,0,0|3,0,1]=4 311 B11R0.40 CNC(=O)NCCCCCOC 2708a_100000747528_106832991635 [0,0,0,0,0,0|3,0,1]=4 312 B11R0.40 CNC(=O)NCCCCCOC 2708a_100102657272_100000747528 [0,0,0,0,0,0|3,0,1]=4 313 B11R0.40 CNC(=O)NCCCCCOC 273464a_100000747528_100102657272 [0,0,0,0,0,0|3,0,1]=4 314 B11R0.40 CNC(=O)NCCCCCOC 273464a_100102657272_100000747528 [0,0,0,0,0,0|3,0,1]=4 315 B11R0.40 CNC(=O)NCCCCCOC 512a_100000747528_100102657272 [0,0,0,0,0,0|3,0,1]=4 316 B11R0.40 CNC(=O)NCCCCCOC 512a_106832991638_100000747528 [0,0,0,0,0,0|3,0,1]=4 317 B11R0.40 CNCCCCCCC(=O)OC 2230a_106832991635_100009815986 [0,0,0,0,0,0|1,0,2]=3 318 B11R0.40 CNCCCCCCC(=O)OC 34a_100102657272_100009815986 [0,0,0,0,0,0|1,0,2]=3 319 B11R0.40 CNCCCCCCC(=O)OC 7a_106832991635_100009815986 [0,0,0,0,0,0|1,0,2]=3 320 B11R0.40 CNCCCOCCC(=O)OC 34a_100000213112_100000742370 [0,0,0,0,0,0|2,0,2]=4 321 B11R0.40 COC(=O)/C=C/CNCCCF 2230a_100015189416_100000742655 [0,0,0,0,0,0|2,0,0]=2 322 B11R0.40 COC(=O)/C=C/CNCCCF 34a_100015189416_100000742655 [0,0,0,0,0,0|2,0,0]=2 323 B11R0.40 COC(=O)/C=C/CNCCSC 2230a_100020590264_100000742655 [0,0,0,0,0,0|2,0,0]=2 324 B11R0.40 COC(=O)/C=C/COCCCBr 34a_100011217188_100000742655 [0,0,0,0,0,0|2,0,0]=2 325 B11R0.40 COC(=O)/C=C/COCCCCl 34a_100000230001_100000742655 [0,0,0,0,0,0|2,0,0]=2 326 B11R0.40 COC(=O)/C=C/COCCCF 34a_100000759539_100000742655 [0,0,0,0,0,0|2,0,0]=2 327 B11R0.40 COC(=O)/C=C/COCCCN 34a_100000182051_100000742655 [0,0,0,0,0,0|2,0,0]=2 328 B11R0.40 COC(=O)/C=C/COCCON 34a_100000700252_100000742655 [0,0,0,0,0,0|3,0,0]=3 329 B11R0.40 COC(=O)/C=C/COCCSC 34a_100000230434_100000742655 [0,0,0,0,0,0|2,0,0]=2 330 B11R0.40 COC(=O)/C=C/COCCSC 7a_100000230434_100000742655 [0,0,0,0,0,0|2,0,0]=2 331 B11R0.40 COC(=O)/C=C/CSCCC#N 62a_100000742655_100011215226 [0,0,0,0,0,0|2,0,1]=3 332 B11R0.40 COC(=O)/C=C/CSCCC#N 62a_100011215226_100000742655 [0,0,0,0,0,0|2,0,1]=3 333 B11R0.40 COC(=O)/C=C/CSCCCF 62a_100000742655_100011934791 [0,0,0,0,0,0|2,0,0]=2 334 B11R0.40 COC(=O)/C=C/CSCCCF 62a_100011934791_100000742655 [0,0,0,0,0,0|2,0,0]=2 335 B11R0.40 COC(=O)/C=C/CSCCCO 62a_100000742655_100011215043 [0,0,0,0,0,0|2,0,0]=2 336 B11R0.40 COC(=O)/C=C/CSCCCO 62a_100011215043_100000742655 [0,0,0,0,0,0|2,0,0]=2 337 B11R0.40 COC(=O)/C=C/CSCCSC 62a_100000212216_100000742655 [0,0,0,0,0,0|2,0,0]=2 338 B11R0.40 COC(=O)/C=C/CSCCSC 62a_100000742655_100000751147 [0,0,0,0,0,0|2,0,0]=2 339 B11R0.40 COC(=O)/C=C/CSCSC#N 62a_100000211825_100000742655 [0,0,0,0,0,0|3,0,1]=4 340 B11R0.40 COC(=O)/C=C/CSCSC#N 62a_100000742655_100000211825 [0,0,0,0,0,0|3,0,1]=4 341 B11R0.40 COC(=O)C=CC=NNCCO 4a_100000210001_100016254430 [0,0,0,0,0,0|3,0,1]=4 342 B11R0.40 COC(=O)CCCCCCO[13CH3] 34a_100009863599_200025704644 [0,0,0,0,0,0|1,0,2]=3 343 B11R0.40 COC(=O)CCCCCCO[13CH3] 7a_100009863599_200025704644 [0,0,0,0,0,0|1,0,2]=3 344 B11R0.40 COC(=O)CCCCCCSC 62a_100009815986_200000210301 [0,0,0,0,0,0|1,0,2]=3 345 B11R0.40 COC(=O)CCCCCCSC 62a_200000210301_100009815986 [0,0,0,0,0,0|1,0,2]=3 346 B11R0.40 COC(=O)CCCCCCS[13CH3] 62a_100009815986_200025704644 [0,0,0,0,0,0|1,0,2]=3 347 B11R0.40 COC(=O)CCCCCCS[13CH3] 62a_200025704644_100009815986 [0,0,0,0,0,0|1,0,2]=3 348 B11R0.40 COC(=O)CCCCCOCF 34a_100000074720_100015361967 [0,0,0,0,0,0|2,0,2]=4 349 B11R0.40 COC(=O)CCCCCOCF 7a_100000074720_100015361967 [0,0,0,0,0,0|2,0,2]=4 350 B11R0.40 COC(=O)CCCCCSCF 62a_100009816466_100015361967 [0,0,0,0,0,0|2,0,2]=4 351 B11R0.40 COC(=O)CCCCCSCF 62a_100015361967_100009816466 [0,0,0,0,0,0|2,0,2]=4 352 B11R0.40 COC(=O)CCCCNCCF 34a_100000724931_100000204269 [0,0,0,0,0,0|2,0,2]=4 353 B11R0.40 COC(=O)CCCCNCCO 2230a_100016997473_100000204269 [0,0,0,0,0,0|2,0,2]=4 354 B11R0.40 COC(=O)CCCCNCCO 34a_100016990907_100000204269 [0,0,0,0,0,0|2,0,2]=4 355 B11R0.40 COC(=O)CCCCOCCBr 34a_100000211926_100000204269 [0,0,0,0,0,0|2,0,2]=4 356 B11R0.40 COC(=O)CCCCOCCF 34a_100000059025_100011217306 [0,0,0,0,0,0|2,0,2]=4 357 B11R0.40 COC(=O)CCCCOCCF 7a_100000059025_100011217306 [0,0,0,0,0,0|2,0,2]=4 358 B11R0.40 COC(=O)CCCCOCCN 34a_100000210304_100000204269 [0,0,0,0,0,0|2,0,2]=4 359 B11R0.40 COC(=O)CCCCOCCO 34a_100000059025_100000211926 [0,0,0,0,0,0|2,0,2]=4 360 B11R0.40 COC(=O)CCCCOCCO 7a_100000059025_100000211926 [0,0,0,0,0,0|2,0,2]=4 361 B11R0.40 COC(=O)CCCCOCSC 34a_100000059025_100011218213 [0,0,0,0,0,0|2,0,2]=4 362 B11R0.40 COC(=O)CCCCSCCF 62a_100000204269_100011217306 [0,0,0,0,0,0|2,0,2]=4 363 B11R0.40 COC(=O)CCCCSCCF 62a_100011217306_100000204269 [0,0,0,0,0,0|2,0,2]=4 364 B11R0.40 COC(=O)CCCCSCCO 62a_100000204269_100000211926 [0,0,0,0,0,0|2,0,2]=4 365 B11R0.40 COC(=O)CCCCSCCO 62a_100000211926_100000204269 [0,0,0,0,0,0|2,0,2]=4 366 B11R0.40 COC(=O)CCCCSCSC 62a_100000204269_100011218213 [0,0,0,0,0,0|2,0,2]=4 367 B11R0.40 COC(=O)CCCCSCSC 62a_100011218213_100000204269 [0,0,0,0,0,0|2,0,2]=4 368 B11R0.40 COC(=O)CCCNCCCF 2230a_100015189416_100011218270 [0,0,0,0,0,0|2,0,2]=4 369 B11R0.40 COC(=O)CCCNCCCF 34a_100015189416_100000742333 [0,0,0,0,0,0|2,0,2]=4 370 B11R0.40 COC(=O)CCCNCCSC 2230a_100020590264_100011218270 [0,0,0,0,0,0|2,0,2]=4 371 B11R0.40 COC(=O)CCCOCCCBr 34a_100011217188_100000742333 [0,0,0,0,0,0|2,0,2]=4 372 B11R0.40 COC(=O)CCCOCCCCl 34a_100000230001_100000742333 [0,0,0,0,0,0|2,0,2]=4 373 B11R0.40 COC(=O)CCCOCCCF 34a_100000759539_100000742333 [0,0,0,0,0,0|2,0,2]=4 374 B11R0.40 COC(=O)CCCOCCCN 34a_100000182051_100000742333 [0,0,0,0,0,0|2,0,2]=4 375 B11R0.40 COC(=O)CCCOCCSC 34a_100000230434_100000742333 [0,0,0,0,0,0|2,0,2]=4 376 B11R0.40 COC(=O)CCCOCCSC 7a_100000230434_100011218270 [0,0,0,0,0,0|2,0,2]=4 377 B11R0.40 COC(=O)CCCSCCCF 62a_100011218270_100011934791 [0,0,0,0,0,0|2,0,2]=4 378 B11R0.40 COC(=O)CCCSCCCF 62a_100011934791_100011218270 [0,0,0,0,0,0|2,0,2]=4 379 B11R0.40 COC(=O)CCCSCCCO 62a_100011215043_100011218270 [0,0,0,0,0,0|2,0,2]=4 380 B11R0.40 COC(=O)CCCSCCCO 62a_100011218270_100011215043 [0,0,0,0,0,0|2,0,2]=4 381 B11R0.40 COC(=O)CCCSCCSC 62a_100000212216_100011218270 [0,0,0,0,0,0|2,0,2]=4 382 B11R0.40 COC(=O)CCCSCCSC 62a_100011218270_100000751147 [0,0,0,0,0,0|2,0,2]=4 383 B11R0.40 COC(=O)CCNCCCCO 2230a_100000750430_100000204255 [0,0,0,0,0,0|2,0,2]=4 384 B11R0.40 COC(=O)CCNCCCCO 34a_100000750430_100000742370 [0,0,0,0,0,0|2,0,2]=4 385 B11R0.40 COC(=O)CCNCCCSC 2230a_100000749238_100000204255 [0,0,0,0,0,0|2,0,2]=4 386 B11R0.40 COC(=O)CCOCCCCBr 34a_100011216708_100000742370 [0,0,0,0,0,0|2,0,2]=4 387 B11R0.40 COC(=O)CCOCCCCCl 34a_100000210776_100000742370 [0,0,0,0,0,0|2,0,2]=4 388 B11R0.40 COC(=O)CCOCCCCCl 7a_100000210776_100000204255 [0,0,0,0,0,0|2,0,2]=4 389 B11R0.40 COC(=O)CCOCCCCF 34a_100011995726_100000742370 [0,0,0,0,0,0|2,0,2]=4 390 B11R0.40 COC(=O)CCOCCCCF 7a_100011995726_100000204255 [0,0,0,0,0,0|2,0,2]=4 391 B11R0.40 COC(=O)CCOCCCCI 34a_200012148704_100000742370 [0,0,0,0,0,0|2,0,2]=4 392 B11R0.40 COC(=O)CCOCCCCN 34a_100000750430_100000742370 [0,0,0,0,0,0|2,0,2]=4 393 B11R0.40 COC(=O)CCOCCCSC 34a_100000690336_100000742370 [0,0,0,0,0,0|2,0,2]=4 394 B11R0.40 COC(=O)CCOCCCSC 7a_100000690336_100000204255 [0,0,0,0,0,0|2,0,2]=4 395 B11R0.40 COC(=O)CCSCCCCF 62a_100000204255_100000729493 [0,0,0,0,0,0|2,0,2]=4 396 B11R0.40 COC(=O)CCSCCCCF 62a_100000729493_100000204255 [0,0,0,0,0,0|2,0,2]=4 397 B11R0.40 COC(=O)CCSCCCCO 62a_100000204255_100000210776 [0,0,0,0,0,0|2,0,2]=4 398 B11R0.40 COC(=O)CCSCCCCO 62a_100000210776_100000204255 [0,0,0,0,0,0|2,0,2]=4 399 B11R0.40 COC(=O)CNCCCCCO 2230a_100000762737_100000747449 [0,0,0,0,0,0|2,0,1]=3 400 B11R0.40 COC(=O)CNCCCCCO 34a_100000762737_100000747449 [0,0,0,0,0,0|2,0,1]=3 401 B11R0.40 COC(=O)CNCCOCCO 2230a_100000211614_100000747449 [0,0,0,0,0,0|3,0,1]=4 402 B11R0.40 COC(=O)CNCCOCCO 34a_100000211614_100000747449 [0,0,0,0,0,0|3,0,1]=4 403 B11R0.40 COC(=O)CNCCSCCO 2230a_100011219999_100000747449 [0,0,0,0,0,0|3,0,1]=4 404 B11R0.40 COC(=O)COCCCCCBr 34a_100000746331_100000747449 [0,0,0,0,0,0|2,0,1]=3 405 B11R0.40 COC(=O)COCCCCCBr 7a_100000746331_100000747449 [0,0,0,0,0,0|2,0,1]=3 406 B11R0.40 COC(=O)COCCCCCCl 34a_100000746330_100000747449 [0,0,0,0,0,0|2,0,1]=3 407 B11R0.40 COC(=O)COCCCCCCl 7a_100000746330_100000747449 [0,0,0,0,0,0|2,0,1]=3 408 B11R0.40 COC(=O)COCCCCCI 34a_200012148887_100000747449 [0,0,0,0,0,0|2,0,1]=3 409 B11R0.40 COC(=O)COCCCCCI 7a_200012148887_100000747449 [0,0,0,0,0,0|2,0,1]=3 410 B11R0.40 COC(=O)COCCCCCN 34a_100000762737_100000747449 [0,0,0,0,0,0|2,0,1]=3 411 B11R0.40 COC(=O)COCCCCSC 34a_100011217163_100000747449 [0,0,0,0,0,0|2,0,1]=3 412 B11R0.40 COC(=O)COCCCCSC 7a_100011217163_100000747449 [0,0,0,0,0,0|2,0,1]=3 413 B11R0.40 COC(=O)COCCNCCF 34a_100000724931_100000090808 [0,0,0,0,0,0|3,0,1]=4 414 B11R0.40 COC(=O)COCCNCCO 2230a_100016997473_100000090808 [0,0,0,0,0,0|3,0,1]=4 415 B11R0.40 COC(=O)COCCNCCO 34a_100016990907_100000090808 [0,0,0,0,0,0|3,0,1]=4 416 B11R0.40 COC(=O)COCCOCCBr 34a_100000211926_100000090808 [0,0,0,0,0,0|3,0,1]=4 417 B11R0.40 COC(=O)COCCOCCBr 34a_100000692535_100000747449 [0,0,0,0,0,0|3,0,1]=4 418 B11R0.40 COC(=O)COCCOCCBr 7a_100000692535_100000747449 [0,0,0,0,0,0|3,0,1]=4 419 B11R0.40 COC(=O)COCCOCCCl 34a_100011215305_100000747449 [0,0,0,0,0,0|3,0,1]=4 420 B11R0.40 COC(=O)COCCOCCCl 7a_100011215305_100000747449 [0,0,0,0,0,0|3,0,1]=4 421 B11R0.40 COC(=O)COCCOCCF 34a_200015357709_100000747449 [0,0,0,0,0,0|3,0,1]=4 422 B11R0.40 COC(=O)COCCOCCF 7a_200015357709_100000747449 [0,0,0,0,0,0|3,0,1]=4 423 B11R0.40 COC(=O)COCCOCCI 34a_100012149058_100000747449 [0,0,0,0,0,0|3,0,1]=4 424 B11R0.40 COC(=O)COCCOCCI 7a_100012149058_100000747449 [0,0,0,0,0,0|3,0,1]=4 425 B11R0.40 COC(=O)COCCOCCN 34a_100000210304_100000090808 [0,0,0,0,0,0|3,0,1]=4 426 B11R0.40 COC(=O)COCCOCCN 34a_100000211614_100000747449 [0,0,0,0,0,0|3,0,1]=4 427 B11R0.40 COC(=O)COCCSCCF 62a_100000090808_100011217306 [0,0,0,0,0,0|3,0,1]=4 428 B11R0.40 COC(=O)COCCSCCF 62a_100011217306_100000090808 [0,0,0,0,0,0|3,0,1]=4 429 B11R0.40 COC(=O)COCCSCCO 62a_100000090808_100000211926 [0,0,0,0,0,0|3,0,1]=4 430 B11R0.40 COC(=O)COCCSCCO 62a_100000211926_100000090808 [0,0,0,0,0,0|3,0,1]=4 431 B11R0.40 COC(=O)COCCSCSC 62a_100000090808_100011218213 [0,0,0,0,0,0|3,0,1]=4 432 B11R0.40 COC(=O)COCCSCSC 62a_100011218213_100000090808 [0,0,0,0,0,0|3,0,1]=4 433 B11R0.40 COC(=O)CSCCCCC#N 62a_100000747449_100000211819 [0,0,0,0,0,0|2,0,2]=4 434 B11R0.40 COC(=O)CSCCCCC#N 62a_100011219923_100000747449 [0,0,0,0,0,0|2,0,2]=4 435 B11R0.40 COC(=O)CSCCCCC=O 62a_100000139335_100000747449 [0,0,0,0,0,0|2,0,2]=4 436 B11R0.40 COC(=O)CSCCCCC=O 62a_100000747449_100000139335 [0,0,0,0,0,0|2,0,2]=4 437 B11R0.40 COC(=O)CSCCCCCF 62a_100000729378_100000747449 [0,0,0,0,0,0|2,0,1]=3 438 B11R0.40 COC(=O)CSCCCCCF 62a_100000747449_100000729378 [0,0,0,0,0,0|2,0,1]=3 439 B11R0.40 COC(=O)CSCCCCCO 62a_100000746330_100000747449 [0,0,0,0,0,0|2,0,1]=3 440 B11R0.40 COC(=O)CSCCCCCO 62a_100000747449_100000746330 [0,0,0,0,0,0|2,0,1]=3 441 B11R0.40 COC(=O)CSCCOCCO 62a_100000747449_100011215305 [0,0,0,0,0,0|3,0,1]=4 442 B11R0.40 COC(=O)CSCCOCCO 62a_100011215305_100000747449 [0,0,0,0,0,0|3,0,1]=4 443 B11R0.40 COC(=O)NCCOCCCF 34a_100000757965_100011934791 [0,0,0,0,0,0|3,0,1]=4 444 B11R0.40 COC(=O)NCCOCCCO 34a_100000757965_100000230001 [0,0,0,0,0,0|3,0,1]=4 445 B11R0.40 COC(=O)NCCOCCSC 34a_100000757965_100000212216 [0,0,0,0,0,0|3,0,1]=4 446 B11R0.40 COC(=O)OCCOCCCF 34a_100010262106_100011934791 [0,0,0,0,0,0|3,0,1]=4 447 B11R0.40 COC(=O)OCCOCCCO 34a_100010262106_100000230001 [0,0,0,0,0,0|3,0,1]=4 448 B11R0.40 COC(=O)OCCOCCSC 34a_100010262106_100000212216 [0,0,0,0,0,0|3,0,1]=4 449 B11R0.40 COC(=O)OCSCCCCF 62a_100000729493_100000139417 [0,0,0,0,0,0|3,0,1]=4 450 B11R0.40 COC(=O)OCSCCCCO 62a_100000210776_100000139417 [0,0,0,0,0,0|3,0,1]=4 451 B11R0.40 COCCCCCCC(=O)OC 34a_100009863599_200000210301 [0,0,0,0,0,0|1,0,2]=3 452 B11R0.40 COCCCCCCC(=O)OC 34a_100138415774_100009815986 [0,0,0,0,0,0|1,0,2]=3 453 B11R0.40 COCCCCCCC(=O)OC 7a_100009863599_200000210301 [0,0,0,0,0,0|1,0,2]=3 454 B11R0.40 COCCCCOCC(=O)OC 34a_100000740925_100000747449 [0,0,0,0,0,0|2,0,1]=3 455 B11R0.40 COCCCCSCC(=O)OC 62a_100000730899_100000747449 [0,0,0,0,0,0|2,0,1]=3 456 B11R0.40 COCCCCSCC(=O)OC 62a_100000747449_100000730899 [0,0,0,0,0,0|2,0,1]=3 457 B11R0.40 COCCCNCCC(=O)OC 34a_100150723488_100000742370 [0,0,0,0,0,0|2,0,2]=4 458 B11R0.40 COCCCOCCC(=O)OC 34a_100000740835_100000742370 [0,0,0,0,0,0|2,0,2]=4 459 B11R0.40 COCCCSCCC(=O)OC 62a_100000204255_100000709357 [0,0,0,0,0,0|2,0,2]=4 460 B11R0.40 COCCCSCCC(=O)OC 62a_100000709357_100000204255 [0,0,0,0,0,0|2,0,2]=4 461 B11R0.40 COCCCSCOC(=O)OC 62a_100000709357_100000139417 [0,0,0,0,0,0|3,0,1]=4 462 B11R0.40 COCCNC/C=C/C(=O)OC 2230a_100000209980_100000742655 [0,0,0,0,0,0|2,0,0]=2 463 B11R0.40 COCCNCCCC(=O)OC 2230a_100000209980_100011218270 [0,0,0,0,0,0|2,0,2]=4 464 B11R0.40 COCCOC/C=C/C(=O)OC 34a_100000210237_100000742655 [0,0,0,0,0,0|2,0,0]=2 465 B11R0.40 COCCOCCCC(=O)OC 34a_100000210237_100000742333 [0,0,0,0,0,0|2,0,2]=4 466 B11R0.40 COCCOCCNC(=O)OC 34a_100000757965_100011201679 [0,0,0,0,0,0|3,0,1]=4 467 B11R0.40 COCCOCCOC(=O)OC 34a_100010262106_100011201679 [0,0,0,0,0,0|3,0,1]=4 468 B11R0.40 COCCOCSCC(=O)OC 62a_100000231047_100000747449 [0,0,0,0,0,0|3,0,1]=4 469 B11R0.40 COCCOCSCC(=O)OC 62a_100000747449_100000231047 [0,0,0,0,0,0|3,0,1]=4 470 B11R0.40 COCCSC/C=C/C(=O)OC 62a_100000233755_100000742655 [0,0,0,0,0,0|2,0,0]=2 471 B11R0.40 COCCSC/C=C/C(=O)OC 62a_100000742655_100000233755 [0,0,0,0,0,0|2,0,0]=2 472 B11R0.40 COCCSCCCC(=O)OC 62a_100000233755_100011218270 [0,0,0,0,0,0|2,0,2]=4 473 B11R0.40 COCCSCCCC(=O)OC 62a_100011218270_100000233755 [0,0,0,0,0,0|2,0,2]=4 474 B11R0.40 COCSCCCCC(=O)OC 62a_100000204269_100000766300 [0,0,0,0,0,0|2,0,2]=4 475 B11R0.40 COCSCCCCC(=O)OC 62a_100000766300_100000204269 [0,0,0,0,0,0|2,0,2]=4 476 B11R0.40 COCSCCOCC(=O)OC 62a_100000090808_100000766300 [0,0,0,0,0,0|3,0,1]=4 477 B11R0.40 COCSCCOCC(=O)OC 62a_100000766300_100000090808 [0,0,0,0,0,0|3,0,1]=4 478 B10R0.4 C=C(C)C=NNCCCCC 4a_100000694160_100000210575 [1,0,0,0,0,0|3,0,0]=4 479 B10R0.4 C=C(C)CNCCCCCC 2230a_100000210581_100000748629 [1,0,0,0,0,0|2,0,1]=4 480 B10R0.4 C=C(C)COCCCCCC 34a_100000210245_100000210314 [1,0,0,0,0,0|2,0,1]=4 481 B10R0.4 C=C(C)COCCCCCC 34a_100000210259_100000748629 [1,0,0,0,0,0|2,0,1]=4 482 B10R0.4 C=C(C)COCCCCCC 7a_100000210259_100000748629 [1,0,0,0,0,0|2,0,1]=4 483 B10R0.4 C=C(C)CSCCCCCC 62a_100000210314_100000211660 [1,0,0,0,0,0|2,0,1]=4 484 B10R0.4 C=C(C)CSCCCCCC 62a_100000748629_100000210757 [1,0,0,0,0,0|2,0,1]=4 485 B10R0.4 CC(=O)CCCCCCCO 1458a_100000070787_100000760002 [1,0,0,0,0,0|1,0,2]=4 486 B10R0.4 CC(=O)CCCCCCCO 1458a_100011219782_200000210301 [1,0,0,0,0,0|1,0,2]=4 487 B10R0.4 CC(=O)COCCCCCF 34a_100000211253_100000729378 [1,0,0,0,0,0|2,0,1]=4 488 B10R0.4 CC(=O)COCCCCCO 34a_100000211253_100000746330 [1,0,0,0,0,0|2,0,1]=4 489 B10R0.4 CC(=O)NCCCCCCO 240690a_100000686447_100015343762 [1,0,0,0,0,0|2,0,1]=4 490 B10R0.4 CC(=O)NCCCCCCO 527a_100000686447_100103153847 [1,0,0,0,0,0|2,0,1]=4 491 B10R0.4 CC(=O)NCCCCCN[13CH3] 2230a_200012022750_200025704644 [1,0,0,0,0,0|2,0,1]=4 492 B10R0.4 CC(=O)NCCCCCN[13CH3] 34a_200012022750_200025704644 [1,0,0,0,0,0|2,0,1]=4 493 B10R0.4 CC(=O)OCCCCCS[13CH3] 62a_100000033007_200025704644 [1,0,0,0,0,0|2,0,1]=4 494 B10R0.4 CC(=O)OCCCCCS[13CH3] 62a_200025704644_100000033007 [1,0,0,0,0,0|2,0,1]=4 495 B10R0.4 CCCCC/C=C/CC(=O)C 1458a_100020675968_200000210301 [1,0,0,0,0,0|0,0,2]=3 496 B10R0.4 CCCCC/C=C/CC(=O)[13CH3] 1458a_100020675968_200025704644 [1,0,0,0,0,0|0,0,2]=3 497 B10R0.4 CCCCCC#CCC(=O)C 1458a_100000070787_100009816472 [1,0,0,0,0,0|0,0,3]=4 498 B10R0.4 CCCCCC=NNC(=O)C 4a_100000189765_100000737632 [1,0,0,0,0,0|2,0,1]=4 499 B10R0.4 CCCCCCC=CC(=O)C 1458a_200015324643_200000210301 [1,0,0,0,0,0|0,0,0]=1 500 B10R0.4 CCCCCCC=CC(=O)[13CH3] 1458a_200015324643_200025704644 [1,0,0,0,0,0|0,0,0]=1 501 B10R0.4 CCCCCCCCC(=O)C 1458a_100000070787_100000210759 [1,0,0,0,0,0|0,0,2]=3 502 B10R0.4 CCCCCCCCC(=O)C 1458a_100000210188_200000210301 [1,0,0,0,0,0|0,0,2]=3 503 B10R0.4 CCCCCCCCC(=O)[13CH3] 1458a_100000210188_200025704644 [1,0,0,0,0,0|0,0,2]=3 504 B10R0.4 CCCCCCCNC(=O)C 11a_100000229938_100015343762 [1,0,0,0,0,0|1,0,1]=3 505 B10R0.4 CCCCCCCNC(=O)C 1626a_100000229938_100015343762 [1,0,0,0,0,0|1,0,1]=3 506 B10R0.4 CCCCCCCNC(=O)C 240690a_100000229938_100015343762 [1,0,0,0,0,0|1,0,1]=3 507 B10R0.4 CCCCCCCNC(=O)C 527a_100000229938_100103153847 [1,0,0,0,0,0|1,0,1]=3 508 B10R0.4 CCCCCCNCC(=O)N 2230a_100000210581_100000747473 [1,0,0,0,0,0|2,0,1]=4 509 B10R0.4 CCCCCCNCC(=O)N 2230a_100000711301_100000210314 [1,0,0,0,0,0|2,0,1]=4 510 B10R0.4 CCCCCCNCC(=O)O 269956a_100016091260_100000210757 [1,0,0,0,0,0|1,0,1]=3 511 B10R0.4 CCCCCCOCC(=O)C 34a_100000211253_100000210314 [1,0,0,0,0,0|1,0,1]=3 512 B10R0.4 CCCCCCOCC(=O)N 34a_100000210259_100000187820 [1,0,0,0,0,0|2,0,1]=4 513 B10R0.4 CCCCCCOCC(=O)N 7a_100000210259_100000187820 [1,0,0,0,0,0|2,0,1]=4 514 B10R0.4 CCCCCCOCC(=O)[O-] 34a_100000210259_100020667443 [1,0,0,0,0,0|1,0,2]=4 515 B10R0.4 CCCCCCSCC(=O)N 62a_100000210314_100000747473 [1,0,0,0,0,0|2,0,1]=4 516 B10R0.4 CCCCCCSCC(=O)N 62a_100000747473_100000210757 [1,0,0,0,0,0|2,0,1]=4 517 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100000210314_100020667443 [1,0,0,0,0,0|1,0,2]=4 518 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100020667443_100000210757 [1,0,0,0,0,0|1,0,2]=4 519 B10R0.4 CCCCCNCC=C(C)C 2230a_100000209983_100000761012 [1,0,0,0,0,0|2,0,1]=4 520 B10R0.4 CCCCCNCC=C(C)C 34a_100000718196_100000718602 [1,0,0,0,0,0|2,0,1]=4 521 B10R0.4 CCCCCNOCC(=O)O 269956a_100000106656_100000210326 [1,0,0,0,0,0|2,0,1]=4 522 B10R0.4 CCCCCOCC=C(C)C 34a_100000210253_100000761012 [1,0,0,0,0,0|2,0,1]=4 523 B10R0.4 CCCCCOCC=C(C)C 34a_100000753907_100000718602 [1,0,0,0,0,0|2,0,1]=4 524 B10R0.4 CCCCCOCC=C(C)C 7a_100000210253_100000761012 [1,0,0,0,0,0|2,0,1]=4 525 B10R0.4 CCCCCOCCC(=O)C 34a_100000759926_100000718602 [1,0,0,0,0,0|1,0,2]=4 526 B10R0.4 CCCCCOCCC(=O)C 7a_100000210253_100000053229 [1,0,0,0,0,0|1,0,2]=4 527 B10R0.4 CCCCCOCCC(=O)C 7a_100000759926_100000210326 [1,0,0,0,0,0|1,0,2]=4 528 B10R0.4 CCCCCOCOC(=O)C 34a_100000210253_100009813279 [1,0,0,0,0,0|2,0,1]=4 529 B10R0.4 CCCCCSCC=C(C)C 62a_100000210326_100000761012 [1,0,0,0,0,0|2,0,1]=4 530 B10R0.4 CCCCCSCC=C(C)C 62a_100000761012_100000210326 [1,0,0,0,0,0|2,0,1]=4 531 B10R0.4 CCCCCSCCC(=O)C 62a_100000053229_100000210326 [1,0,0,0,0,0|1,0,2]=4 532 B10R0.4 CCCCCSCCC(=O)C 62a_100000210326_100000053229 [1,0,0,0,0,0|1,0,2]=4 533 B10R0.4 CCCCCSCOC(=O)C 62a_100000076356_100000210326 [1,0,0,0,0,0|2,0,1]=4 534 B10R0.4 CCCCCSCOC(=O)C 62a_100000210326_100000076356 [1,0,0,0,0,0|2,0,1]=4 535 B10R0.4 CCCCNC/C=C/B(O)O 2230a_100000102301_100016262062 [1,0,0,0,0,0|2,0,1]=4 536 B10R0.4 CCCCNC/C=C/B(O)O 7a_106832991798_100016262062 [1,0,0,0,0,0|2,0,1]=4 537 B10R0.4 CCCCNCCC=C(C)C 2230a_100000102301_100011217483 [1,0,0,0,0,0|2,0,1]=4 538 B10R0.4 CCCCNCCC=C(C)C 7a_106832991798_100011217483 [1,0,0,0,0,0|2,0,1]=4 539 B10R0.4 CCCCNCCCC(=O)C 7a_106832991798_100011215641 [1,0,0,0,0,0|1,0,2]=4 540 B10R0.4 CCCCNCCNC(=O)C 2230a_100000102301_100000189650 [1,0,0,0,0,0|2,0,1]=4 541 B10R0.4 CCCCNCCNC(=O)C 2230a_100000209853_100000210211 [1,0,0,0,0,0|2,0,1]=4 542 B10R0.4 CCCCNCCNC(=O)C 7a_106832991798_100000189650 [1,0,0,0,0,0|2,0,1]=4 543 B10R0.4 CCCCNCCOC(=O)C 7a_106832991798_100009814007 [1,0,0,0,0,0|2,0,1]=4 544 B10R0.4 CCCCNN=CC=C(C)C 4a_100025702795_100011215525 [1,0,0,0,0,0|3,0,0]=4 545 B10R0.4 CCCCOC/C=C/B(O)O 34a_100000210227_100016262062 [1,0,0,0,0,0|2,0,1]=4 546 B10R0.4 CCCCOC/C=C/B(O)O 7a_100000210227_100016262062 [1,0,0,0,0,0|2,0,1]=4 547 B10R0.4 CCCCOCCC=C(C)C 34a_100000210227_100011217483 [1,0,0,0,0,0|2,0,1]=4 548 B10R0.4 CCCCOCCC=C(C)C 7a_100000210227_100011217483 [1,0,0,0,0,0|2,0,1]=4 549 B10R0.4 CCCCOCCCC(=O)C 34a_100000210227_100000685027 [1,0,0,0,0,0|1,0,2]=4 550 B10R0.4 CCCCOCCCC(=O)C 34a_100000759063_100000210210 [1,0,0,0,0,0|1,0,2]=4 551 B10R0.4 CCCCOCCCC(=O)C 7a_100000210227_100011215641 [1,0,0,0,0,0|1,0,2]=4 552 B10R0.4 CCCCOCCCC(=O)C 7a_100000759063_100000210211 [1,0,0,0,0,0|1,0,2]=4 553 B10R0.4 CCCCOCCNC(=O)C 34a_100000158858_100000210210 [1,0,0,0,0,0|2,0,1]=4 554 B10R0.4 CCCCOCCNC(=O)C 7a_100000210227_100000189650 [1,0,0,0,0,0|2,0,1]=4 555 B10R0.4 CCCCOCCOC(=O)C 34a_100000210227_100009814007 [1,0,0,0,0,0|2,0,1]=4 556 B10R0.4 CCCCOCCOC(=O)C 7a_100000210227_100009814007 [1,0,0,0,0,0|2,0,1]=4 557 B10R0.4 CCCCOCNCC(=O)O 269956a_100016091260_100011995733 [1,0,0,0,0,0|2,0,1]=4 558 B10R0.4 CCCCOCOCC(=O)C 34a_100000211253_100011995733 [1,0,0,0,0,0|2,0,1]=4 559 B10R0.4 CCCCSC/C=C/B(O)O 62a_100000210211_100016262062 [1,0,0,0,0,0|2,0,1]=4 560 B10R0.4 CCCCSC/C=C/B(O)O 62a_100016262062_100000210210 [1,0,0,0,0,0|2,0,1]=4 561 B10R0.4 CCCCSCCC=C(C)C 62a_100000210211_100011217483 [1,0,0,0,0,0|2,0,1]=4 562 B10R0.4 CCCCSCCC=C(C)C 62a_100011217483_100000210210 [1,0,0,0,0,0|2,0,1]=4 563 B10R0.4 CCCCSCCCC(=O)C 62a_100000210211_100011215641 [1,0,0,0,0,0|1,0,2]=4 564 B10R0.4 CCCCSCCCC(=O)C 62a_100011215641_100000210210 [1,0,0,0,0,0|1,0,2]=4 565 B10R0.4 CCCCSCCNC(=O)C 11a_100025743550_100015343762 [1,0,0,0,0,0|2,0,1]=4 566 B10R0.4 CCCCSCCNC(=O)C 1626a_100025743550_100015343762 [1,0,0,0,0,0|2,0,1]=4 567 B10R0.4 CCCCSCCNC(=O)C 240690a_100025743550_100015343762 [1,0,0,0,0,0|2,0,1]=4 568 B10R0.4 CCCCSCCNC(=O)C 527a_100025743550_100103153847 [1,0,0,0,0,0|2,0,1]=4 569 B10R0.4 CCCCSCCNC(=O)C 62a_100000189650_100000210210 [1,0,0,0,0,0|2,0,1]=4 570 B10R0.4 CCCCSCCNC(=O)C 62a_100000210211_100000189650 [1,0,0,0,0,0|2,0,1]=4 571 B10R0.4 CCCCSCCOC(=O)C 62a_100000210211_100009814007 [1,0,0,0,0,0|2,0,1]=4 572 B10R0.4 CCCCSCCOC(=O)C 62a_100009814007_100000210210 [1,0,0,0,0,0|2,0,1]=4 573 B10R0.4 CCCNCCCNC(=O)C 34a_100000736810_100000210303 [1,0,0,0,0,0|2,0,1]=4 574 B10R0.4 CCCNCCOCC(=O)O 269956a_100000700818_100000210207 [1,0,0,0,0,0|2,0,1]=4 575 B10R0.4 CCCOCCCCC(=O)C 34a_100000210258_100009817362 [1,0,0,0,0,0|1,0,2]=4 576 B10R0.4 CCCOCCCNC(=O)C 1626a_100011217757_100015343762 [1,0,0,0,0,0|2,0,1]=4 577 B10R0.4 CCCOCCCNC(=O)C 240690a_100011217757_100015343762 [1,0,0,0,0,0|2,0,1]=4 578 B10R0.4 CCCOCCCNC(=O)C 34a_100000752032_100000210303 [1,0,0,0,0,0|2,0,1]=4 579 B10R0.4 CCCOCCCNC(=O)C 527a_100011217757_100103153847 [1,0,0,0,0,0|2,0,1]=4 580 B10R0.4 CCCOCCCOC(=O)C 34a_100000210258_100000042594 [1,0,0,0,0,0|2,0,1]=4 581 B10R0.4 CCCOCCCSC(=O)C 34a_100000210258_100000038929 [1,0,0,0,0,0|2,0,1]=4 582 B10R0.4 CCCOCCNCC(=O)O 269956a_100016091260_100011215938 [1,0,0,0,0,0|2,0,1]=4 583 B10R0.4 CCCOCCOCC(=O)C 34a_100000211253_100011215938 [1,0,0,0,0,0|2,0,1]=4 584 B10R0.4 CCCSCCCCC(=O)C 62a_100000210303_100000735457 [1,0,0,0,0,0|1,0,2]=4 585 B10R0.4 CCCSCCCCC(=O)C 62a_100000735457_100000210303 [1,0,0,0,0,0|1,0,2]=4 586 B10R0.4 CCCSCCCOC(=O)C 62a_100000042594_100000210303 [1,0,0,0,0,0|2,0,1]=4 587 B10R0.4 CCCSCCCOC(=O)C 62a_100000210303_100000042594 [1,0,0,0,0,0|2,0,1]=4 588 B10R0.4 CCCSCCCSC(=O)C 62a_100000038929_100000210303 [1,0,0,0,0,0|2,0,1]=4 589 B10R0.4 CCCSCCCSC(=O)C 62a_100000210303_100000038929 [1,0,0,0,0,0|2,0,1]=4 590 B10R0.4 CCNCCC/C=C/B(O)O 2230a_100015525214_200016261450 [1,0,0,0,0,0|2,0,1]=4 591 B10R0.4 CCNCCCCNC(=O)C 2230a_200011368371_100000210202 [1,0,0,0,0,0|2,0,1]=4 592 B10R0.4 CCNCCCCNC(=O)C 34a_200011368371_100000210202 [1,0,0,0,0,0|2,0,1]=4 593 B10R0.4 CCNCCCCSC(=O)C 2230a_100015525214_200010402107 [1,0,0,0,0,0|2,0,1]=4 594 B10R0.4 CCOCCC/C=C/B(O)O 34a_100121572206_200016261450 [1,0,0,0,0,0|2,0,1]=4 595 B10R0.4 CCOCCCCOC(=O)C 34a_100000073216_100000210202 [1,0,0,0,0,0|2,0,1]=4 596 B10R0.4 CCOCCCCOC(=O)C 34a_100121572206_100000033659 [1,0,0,0,0,0|2,0,1]=4 597 B10R0.4 CCOCCCCOC(=O)C 7a_100000073216_100000210202 [1,0,0,0,0,0|2,0,1]=4 598 B10R0.4 CCOCCCCSC(=O)C 34a_100121572206_200010402107 [1,0,0,0,0,0|2,0,1]=4 599 B10R0.4 CCOCCCNCC(=O)O 269956a_100016091260_100012232248 [1,0,0,0,0,0|2,0,1]=4 600 B10R0.4 CCOCCCOCC(=O)C 34a_100000211253_100012232248 [1,0,0,0,0,0|2,0,1]=4 601 B10R0.4 CCSCCC/C=C/B(O)O 62a_100000210202_200016261450 [1,0,0,0,0,0|2,0,1]=4 602 B10R0.4 CCSCCC/C=C/B(O)O 62a_200016261450_100000210202 [1,0,0,0,0,0|2,0,1]=4 603 B10R0.4 CCSCCCCOC(=O)C 62a_100000033659_100000210202 [1,0,0,0,0,0|2,0,1]=4 604 B10R0.4 CCSCCCCOC(=O)C 62a_100000210202_100000033659 [1,0,0,0,0,0|2,0,1]=4 605 B10R0.4 CCSCCCCSC(=O)C 62a_100000210202_200010402107 [1,0,0,0,0,0|2,0,1]=4 606 B10R0.4 CCSCCCCSC(=O)C 62a_200010402107_100000210202 [1,0,0,0,0,0|2,0,1]=4 607 B10R0.4 CNCCCCCNC(=O)C 2230a_200012022750_200000210301 [1,0,0,0,0,0|2,0,1]=4 608 B10R0.4 CNCCCCCNC(=O)C 34a_200012022750_200000210301 [1,0,0,0,0,0|2,0,1]=4 609 B10R0.4 CNCCCCCOC(=O)C 2230a_106832991635_100009813381 [1,0,0,0,0,0|2,0,1]=4 610 B10R0.4 CNCCCCCOC(=O)C 34a_100102657272_100000033007 [1,0,0,0,0,0|2,0,1]=4 611 B10R0.4 CNCCCCCOC(=O)C 7a_106832991635_100000033007 [1,0,0,0,0,0|2,0,1]=4 612 B10R0.4 COCCCCCCC(=O)C 1458a_100000070787_100011998445 [1,0,0,0,0,0|1,0,2]=4 613 B10R0.4 COCCCCCNC(=O)C 11a_100000747528_100015343762 [1,0,0,0,0,0|2,0,1]=4 614 B10R0.4 COCCCCCNC(=O)C 1626a_100000747528_100015343762 [1,0,0,0,0,0|2,0,1]=4 615 B10R0.4 COCCCCCNC(=O)C 240690a_100000747528_100015343762 [1,0,0,0,0,0|2,0,1]=4 616 B10R0.4 COCCCCCNC(=O)C 527a_100000747528_100103153847 [1,0,0,0,0,0|2,0,1]=4 617 B10R0.4 COCCCCCOC(=O)C 34a_100138415774_100000033007 [1,0,0,0,0,0|2,0,1]=4 618 B10R0.4 COCCCCNCC(=O)O 269956a_100016091260_100000730899 [1,0,0,0,0,0|2,0,1]=4 619 B10R0.4 COCCCCOCC(=O)C 34a_100000211253_100000755781 [1,0,0,0,0,0|2,0,1]=4 620 B10R0.4 CSCCCCCOC(=O)C 62a_100000033007_200000210301 [1,0,0,0,0,0|2,0,1]=4 621 B10R0.4 CSCCCCCOC(=O)C 62a_200000210301_100000033007 [1,0,0,0,0,0|2,0,1]=4 622 B10R0.4 O=C(O)CNCCCCCF 269956a_100016091260_100000729378 [1,0,0,0,0,0|2,0,1]=4 623 B10R0.4 O=C(O)CNCCCCCO 269956a_100016091260_100000746330 [1,0,0,0,0,0|2,0,1]=4 624 B10R0.4 [13CH3]C(=O)CCCCCCCO 1458a_100011219782_200025704644 [1,0,0,0,0,0|1,0,2]=4 625 B10R0.71 C/C=C/C=C/COCCCC 34a_100016283227_100000210210 [1,0,0,0,0,0|2,0,0]=3 626 B10R0.71 C/C=C/C=C/COCCCF 34a_100016283227_100011934791 [1,0,0,0,0,0|3,0,0]=4 627 B10R0.71 C/C=C/C=C/COCCCO 34a_100016283227_100000230001 [1,0,0,0,0,0|3,0,0]=4 628 B10R0.71 C/C=C/C=C/COCCOC 34a_100016283227_100011201679 [1,0,0,0,0,0|3,0,0]=4 629 B10R0.71 C/C=C/C=C/COCCSC 34a_100016283227_100000212216 [1,0,0,0,0,0|3,0,0]=4 630 B10R0.71 C/C=C/COCCCCCC 34a_100000210259_100102629194 [1,0,0,0,0,0|2,0,1]=4 631 B10R0.71 C/C=C/COCCCCCC 34a_100016270725_100000210314 [1,0,0,0,0,0|2,0,1]=4 632 B10R0.71 C/C=C/COCCCCCC 7a_100000210259_100102629194 [1,0,0,0,0,0|2,0,1]=4 633 B10R0.71 C/C=C/CSCCCCCC 62a_100000210314_100102629194 [1,0,0,0,0,0|2,0,1]=4 634 B10R0.71 C/C=C/CSCCCCCC 62a_100102629194_100000210757 [1,0,0,0,0,0|2,0,1]=4 635 B10R0.71 CC/C=C/CC/C=C/COC 34a_100016264143_200000210301 [1,0,0,0,0,0|0,0,3]=4 636 B10R0.71 CC/C=C/CC/C=C/COC 7a_100016264143_200000210301 [1,0,0,0,0,0|0,0,3]=4 637 B10R0.71 CC/C=C/CC/C=C/CO[13CH3] 34a_100016264143_200025704644 [1,0,0,0,0,0|0,0,3]=4 638 B10R0.71 CC/C=C/CC/C=C/CO[13CH3] 7a_100016264143_200025704644 [1,0,0,0,0,0|0,0,3]=4 639 B10R0.71 CC/C=C/CCCOCCC 34a_100016287902_100000210303 [1,0,0,0,0,0|2,0,1]=4 640 B10R0.71 CC/C=C/CCCOCCC 7a_100016287902_100000210303 [1,0,0,0,0,0|2,0,1]=4 641 B10R0.71 CC/C=C\CCCCCNC 269862a_106832991636_100016288537 [1,0,0,0,0,0|2,0,1]=4 642 B10R0.71 CC/C=C\CCCCCOC 34a_100016268722_200000210301 [1,0,0,0,0,0|2,0,1]=4 643 B10R0.71 CC/C=C\CCCCCOC 7a_100016268722_200000210301 [1,0,0,0,0,0|2,0,1]=4 644 B10R0.71 CC/C=C\CCCCCO[13CH3] 34a_100016268722_200025704644 [1,0,0,0,0,0|2,0,1]=4 645 B10R0.71 CC/C=C\CCCCCO[13CH3] 7a_100016268722_200025704644 [1,0,0,0,0,0|2,0,1]=4 646 B10R0.71 CC/C=C\CCCCOCC 34a_100016287862_100000210202 [1,0,0,0,0,0|2,0,1]=4 647 B10R0.71 CC/C=C\CCCCOCC 7a_100016287862_100000210202 [1,0,0,0,0,0|2,0,1]=4 648 B10R0.71 CC/C=C\CCNCCCC 2230a_100000102301_100015370543 [1,0,0,0,0,0|2,0,1]=4 649 B10R0.71 CC/C=C\CCNCCCC 7a_106832991798_100015370543 [1,0,0,0,0,0|2,0,1]=4 650 B10R0.71 CC/C=C\CCOCCCC 34a_100000210227_100015370543 [1,0,0,0,0,0|2,0,1]=4 651 B10R0.71 CC/C=C\CCOCCCC 34a_100016288707_100000210210 [1,0,0,0,0,0|2,0,1]=4 652 B10R0.71 CC/C=C\CCOCCCC 7a_100000210227_100015370543 [1,0,0,0,0,0|2,0,1]=4 653 B10R0.71 CC/C=C\CCOCCCC 7a_100016288707_100000210211 [1,0,0,0,0,0|2,0,1]=4 654 B10R0.71 CC/C=C\CCSCCCC 62a_100000210211_100015370543 [1,0,0,0,0,0|2,0,1]=4 655 B10R0.71 CC/C=C\CCSCCCC 62a_100015370543_100000210210 [1,0,0,0,0,0|2,0,1]=4 656 B10R0.71 CC/C=C\CNCCCCC 2230a_100000209983_100103147603 [1,0,0,0,0,0|2,0,1]=4 657 B10R0.71 CC/C=C\COCCCCC 34a_100000210253_100103147603 [1,0,0,0,0,0|2,0,1]=4 658 B10R0.71 CC/C=C\COCCCCC 34a_100016268518_100000718602 [1,0,0,0,0,0|2,0,1]=4 659 B10R0.71 CC/C=C\COCCCCC 7a_100000210253_100103147603 [1,0,0,0,0,0|2,0,1]=4 660 B10R0.71 CC/C=C\CSCCCCC 62a_100000210326_100103147603 [1,0,0,0,0,0|2,0,1]=4 661 B10R0.71 CC/C=C\CSCCCCC 62a_100103147603_100000210326 [1,0,0,0,0,0|2,0,1]=4 662 B10R0.71 CC=CCNCCCCCC 2230a_100000210581_100000070051 [1,0,0,0,0,0|2,0,1]=4 663 B10R0.71 CC=CCOCCCCCC 34a_100000210259_100000070051 [1,0,0,0,0,0|2,0,1]=4 664 B10R0.71 CC=CCOCCCCCC 7a_100000210259_100000070051 [1,0,0,0,0,0|2,0,1]=4 665 B10R0.71 CC=CCSCCCCCC 62a_100000070051_100000210757 [1,0,0,0,0,0|2,0,1]=4 666 B10R0.71 CC=CCSCCCCCC 62a_100000210314_100000070051 [1,0,0,0,0,0|2,0,1]=4 667 B10R0.71 CCC/C=C/COCCCC 34a_100016278788_100000210210 [1,0,0,0,0,0|2,0,1]=4 668 B10R0.71 CCC/C=C/COCCCC 7a_100016278788_100000210211 [1,0,0,0,0,0|2,0,1]=4 669 B10R0.71 CCC=CC=NNCCCC 4a_100025702795_100011216943 [1,0,0,0,0,0|3,0,0]=4 670 B10R0.71 CCCCC/C=C\CCOC 34a_100016277358_200000210301 [1,0,0,0,0,0|0,0,3]=4 671 B10R0.71 CCCCC/C=C\CCOC 7a_100016277358_200000210301 [1,0,0,0,0,0|0,0,3]=4 672 B10R0.71 CCCCC/C=C\CCO[13CH3] 34a_100016277358_200025704644 [1,0,0,0,0,0|0,0,3]=4 673 B10R0.71 CCCCC/C=C\CCO[13CH3] 7a_100016277358_200025704644 [1,0,0,0,0,0|0,0,3]=4 674 B10R0.71 CCCCCC/C=C/COC 34a_200016276170_200000210301 [1,0,0,0,0,0|0,0,1]=2 675 B10R0.71 CCCCCC/C=C/COC 7a_200016276170_200000210301 [1,0,0,0,0,0|0,0,1]=2 676 B10R0.71 CCCCCC/C=C/CO[13CH3] 34a_200016276170_200025704644 [1,0,0,0,0,0|0,0,1]=2 677 B10R0.71 CCCCCC/C=C/CO[13CH3] 7a_200016276170_200025704644 [1,0,0,0,0,0|0,0,1]=2 678 B10R0.71 CCCCCCC#CCOC 34a_200000037284_200000210301 [1,0,0,0,0,0|0,0,3]=4 679 B10R0.71 CCCCCCC#CCOC 7a_200000037284_200000210301 [1,0,0,0,0,0|0,0,3]=4 680 B10R0.71 CCCCCCC#CCO[13CH3] 34a_200000037284_200025704644 [1,0,0,0,0,0|0,0,3]=4 681 B10R0.71 CCCCCCC#CCO[13CH3] 7a_200000037284_200025704644 [1,0,0,0,0,0|0,0,3]=4 682 B10R0.71 CCCCCCC=NNCC 4a_100000756455_100000234349 [1,0,0,0,0,0|3,0,0]=4 683 B10R0.71 CCCCCCCCCOC 34a_100000210712_200000210301 [1,0,0,0,0,0|0,0,3]=4 684 B10R0.71 CCCCCCCCCOC 34a_100138415774_100011214924 [1,0,0,0,0,0|0,0,3]=4 685 B10R0.71 CCCCCCCCCOC 7a_100000210712_200000210301 [1,0,0,0,0,0|0,0,3]=4 686 B10R0.71 CCCCCCCCCO[13CH3] 34a_100000210712_200025704644 [1,0,0,0,0,0|0,0,3]=4 687 B10R0.71 CCCCCCCCCO[13CH3] 7a_100000210712_200025704644 [1,0,0,0,0,0|0,0,3]=4 688 B10R0.71 CCCCCCCNCOC 2230a_100000229938_100000766300 [1,0,0,0,0,0|1,0,2]=4 689 B10R0.71 CCCCCCCSCOC 62a_100000210614_100000766300 [1,0,0,0,0,0|1,0,2]=4 690 B10R0.71 CCCCCCCSCOC 62a_100000766300_100000210316 [1,0,0,0,0,0|1,0,2]=4 691 B10R0.71 CCCCCCNCCOC 2230a_100000209980_100000210314 [1,0,0,0,0,0|1,0,2]=4 692 B10R0.71 CCCCCCNCCOC 2230a_100000210581_100011201679 [1,0,0,0,0,0|1,0,2]=4 693 B10R0.71 CCCCCCOCCOC 34a_100000210237_100000210314 [1,0,0,0,0,0|1,0,2]=4 694 B10R0.71 CCCCCCOCCOC 34a_100000210259_100011201679 [1,0,0,0,0,0|1,0,2]=4 695 B10R0.71 CCCCCCOCCOC 34a_100000691444_200000210301 [1,0,0,0,0,0|1,0,2]=4 696 B10R0.71 CCCCCCOCCOC 7a_100000210259_100000233755 [1,0,0,0,0,0|1,0,2]=4 697 B10R0.71 CCCCCCOCCOC 7a_100000691444_200000210301 [1,0,0,0,0,0|1,0,2]=4 698 B10R0.71 CCCCCCOCCO[13CH3] 34a_100000691444_200025704644 [1,0,0,0,0,0|1,0,2]=4 699 B10R0.71 CCCCCCOCCO[13CH3] 7a_100000691444_200025704644 [1,0,0,0,0,0|1,0,2]=4 700 B10R0.71 CCCCCCSCCOC 62a_100000210314_100000233755 [1,0,0,0,0,0|1,0,2]=4 701 B10R0.71 CCCCCCSCCOC 62a_100000233755_100000210757 [1,0,0,0,0,0|1,0,2]=4 702 B10R0.74 C#CC(=O)CCCCCCC 1458a_100000211873_100000210614 [1,0,0,0,0,0|1,0,2]=4 703 B10R0.74 C#CCNC/C=C/C(=O)OC 34a_100000212058_100000742655 [1,0,0,0,0,0|1,0,2]=4 704 B10R0.74 C#CCOC/C=C/C(=O)OC 34a_100000210247_100000742655 [1,0,0,0,0,0|1,0,2]=4 705 B10R0.74 C#CCSC/C=C/C(=O)OC 62a_100000038162_100000742655 [1,0,0,0,0,0|1,0,2]=4 706 B10R0.74 C=CC(=O)CCCCCCC 1458a_100000185746_100000210614 [1,0,0,0,0,0|1,0,2]=4 707 B10R0.74 C=CC(=O)NCCCCCC 1626a_100000210581_100000185746 [1,0,0,0,0,0|2,0,1]=4 708 B10R0.74 C=CC(=O)NCCCCCC 240690a_100000210581_200121576911 [1,0,0,0,0,0|2,0,1]=4 709 B10R0.74 C=CCNC/C=C/C(=O)OC 2230a_100020586998_100000742655 [1,0,0,0,0,0|1,0,2]=4 710 B10R0.74 C=CCOC/C=C/C(=O)OC 34a_200000210373_100000742655 [1,0,0,0,0,0|1,0,2]=4 711 B10R0.74 C=CCSC/C=C/C(=O)OC 62a_100000210623_100000742655 [1,0,0,0,0,0|1,0,2]=4 712 B10R0.74 C=CCSC/C=C/C(=O)OC 62a_100000742655_100000210623 [1,0,0,0,0,0|1,0,2]=4 713 B10R0.74 CCC(=O)CCCCCCF 1458a_100000210414_100015922095 [1,0,0,0,0,0|2,0,1]=4 714 B10R0.74 CCC(=O)CCCCCCO 1458a_100000210414_100000766143 [1,0,0,0,0,0|2,0,1]=4 715 B10R0.74 CCC(=O)CCCCCCO 1458a_100011996774_100000210202 [1,0,0,0,0,0|2,0,1]=4 716 B10R0.74 CCC(=O)CCCCCOC 1458a_100011935119_100000210202 [1,0,0,0,0,0|2,0,1]=4 717 B10R0.74 CCC(=O)NCCCCCO 240690a_100000762737_100000210414 [1,0,0,0,0,0|3,0,0]=4 718 B10R0.74 CCC/C=C/C=CC(=O)CC 1458a_200016258893_100000210202 [1,0,0,0,0,0|1,0,2]=4 719 B10R0.74 CCC/C=C/C=CC(=O)NC 11a_106832991635_200016258893 [1,0,0,0,0,0|1,0,2]=4 720 B10R0.74 CCC/C=C/C=CC(=O)NC 1626a_100102657272_200016258893 [1,0,0,0,0,0|1,0,2]=4 721 B10R0.74 CCC/C=C/C=CC(=O)NC 240690a_100102657272_200016258893 [1,0,0,0,0,0|1,0,2]=4 722 B10R0.74 CCCC/C=C/CC(=O)CC 1458a_200016282684_100000210202 [1,0,0,0,0,0|1,0,2]=4 723 B10R0.74 CCCC/C=C/CC(=O)NC 11a_106832991635_200016282684 [1,0,0,0,0,0|1,0,2]=4 724 B10R0.74 CCCC/C=C/CC(=O)NC 1626a_100102657272_200016282684 [1,0,0,0,0,0|1,0,2]=4 725 B10R0.74 CCCC/C=C/CC(=O)NC 240690a_100102657272_200016282684 [1,0,0,0,0,0|1,0,2]=4 726 B10R0.74 CCCC/C=C/CC(=O)NC 527a_100102657272_200016282684 [1,0,0,0,0,0|1,0,2]=4 727 B10R0.74 CCCCCC#CC(=O)CC 1458a_100011215388_100000210202 [1,0,0,0,0,0|1,0,2]=4 728 B10R0.74 CCCCCC#CC(=O)NC 240690a_100102657272_100011215388 [1,0,0,0,0,0|1,0,2]=4 729 B10R0.74 CCCCCC=CC(=O)CC 1458a_100016263427_100000210202 [1,0,0,0,0,0|1,0,0]=2 730 B10R0.74 CCCCCC=CC(=O)CF 1458a_100016263427_100015361967 [1,0,0,0,0,0|2,0,0]=3 731 B10R0.74 CCCCCC=CC(=O)NC 11a_106832991635_100016263427 [1,0,0,0,0,0|1,0,0]=2 732 B10R0.74 CCCCCC=CC(=O)NC 1626a_100102657272_100016263427 [1,0,0,0,0,0|1,0,0]=2 733 B10R0.74 CCCCCC=CC(=O)NC 240690a_100102657272_100016263427 [1,0,0,0,0,0|1,0,0]=2 734 B10R0.74 CCCCCCCC(=O)CC 1458a_100000210414_100000210614 [1,0,0,0,0,0|1,0,1]=3 735 B10R0.74 CCCCCCCC(=O)CC 1458a_100000211969_100000210202 [1,0,0,0,0,0|1,0,1]=3 736 B10R0.74 CCCCCCCC(=O)CF 1458a_100000211969_100015361967 [1,0,0,0,0,0|2,0,1]=4 737 B10R0.74 CCCCCCCC(=O)CO 1458a_100000210174_100000210614 [1,0,0,0,0,0|2,0,1]=4 738 B10R0.74 CCCCCCCC(=O)NC 11a_106832991635_100000211969 [1,0,0,0,0,0|1,0,1]=3 739 B10R0.74 CCCCCCCC(=O)NC 1626a_100102657272_100000211969 [1,0,0,0,0,0|1,0,1]=3 740 B10R0.74 CCCCCCCC(=O)NC 240690a_100102657272_100000211969 [1,0,0,0,0,0|1,0,1]=3 741 B10R0.74 CCCCCCCC(=O)NC 527a_100102657272_100000211969 [1,0,0,0,0,0|1,0,1]=3 742 B10R0.74 CCCCCCCC(C)OC 34a_100138415774_200011218727 [1,0,0,0,0,0|1,0,2]=4 743 B10R0.74 CCCCCCCC(C)OC 34a_200011215852_200000210301 [1,0,0,0,0,0|1,0,2]=4 744 B10R0.74 CCCCCCCC(C)OC 7a_200011215852_200000210301 [1,0,0,0,0,0|1,0,2]=4 745 B10R0.74 CCCCCCCC(C)O[13CH3] 34a_200011215852_200025704644 [1,0,0,0,0,0|1,0,2]=4 746 B10R0.74 CCCCCCCC(C)O[13CH3] 7a_200011215852_200025704644 [1,0,0,0,0,0|1,0,2]=4 747 B10R0.74 CCCCCCNC(=O)CC 11a_100000210581_100000210414 [1,0,0,0,0,0|2,0,0]=3 748 B10R0.74 CCCCCCNC(=O)CC 1626a_100000210581_100000210414 [1,0,0,0,0,0|2,0,0]=3 749 B10R0.74 CCCCCCNC(=O)CC 240690a_100000210581_100000210414 [1,0,0,0,0,0|2,0,0]=3 750 B10R0.74 CCCCCCNC(=O)CC 527a_100000210581_100000210414 [1,0,0,0,0,0|2,0,0]=3 751 B10R0.74 CCCCCCNC(=O)CO 240690a_100000210581_100000210174 [1,0,0,0,0,0|3,0,0]=4 752 B10R0.74 CCCCCCNC(=O)CO 527a_100000210581_100000210174 [1,0,0,0,0,0|3,0,0]=4 753 B10R0.74 CCCCCCNC(=O)NC 2708a_100000210581_106832991635 [1,0,0,0,0,0|2,0,0]=3 754 B10R0.74 CCCCCCNC(=O)NC 2708a_100102657272_100000210581 [1,0,0,0,0,0|2,0,0]=3 755 B10R0.74 CCCCCCNC(=O)NC 273464a_100000210581_100102657272 [1,0,0,0,0,0|2,0,0]=3 756 B10R0.74 CCCCCCNC(=O)NC 273464a_100102657272_100000210581 [1,0,0,0,0,0|2,0,0]=3 757 B10R0.74 CCCCCCNC(=O)NC 512a_100000210581_100102657272 [1,0,0,0,0,0|2,0,0]=3 758 B10R0.74 CCCCCCNC(=O)NC 512a_106832991638_100000210581 [1,0,0,0,0,0|2,0,0]=3 759 B10R0.74 CCCCCCSC(C)OC 62a_100000210314_100009879195 [1,0,0,0,0,0|2,0,1]=4 760 B10R0.74 CCCCCCSC(C)OC 62a_100009879195_100000210757 [1,0,0,0,0,0|2,0,1]=4 761 B10R0.74 CCCCCNCC(=O)NC 2230a_100000209983_100000183359 [1,0,0,0,0,0|2,0,1]=4 762 B10R0.74 CCCCCNCC(=O)NC 2230a_100000693194_100000210326 [1,0,0,0,0,0|2,0,1]=4 763 B10R0.74 CCCCCNCC(=O)OC 2230a_100000209983_100000747449 [1,0,0,0,0,0|1,0,1]=3 764 B10R0.74 CCCCCNNC(=O)CC 22a_100000694160_100000210414 [1,0,0,0,0,0|3,0,0]=4 765 B10R0.74 CCCCCNNC(=O)NC 273464a_100102657272_100000694160 [1,0,0,0,0,0|3,0,0]=4 766 B10R0.74 CCCCCNNC(=O)NC 512a_100000694160_100102657272 [1,0,0,0,0,0|3,0,0]=4 767 B10R0.74 CCCCCNNC(=O)NC 512a_106832991638_100000694160 [1,0,0,0,0,0|3,0,0]=4 768 B10R0.74 CCCCCOCC(=O)CC 34a_100000725409_100000718602 [1,0,0,0,0,0|2,0,1]=4 769 B10R0.74 CCCCCOCC(=O)CC 7a_100000210253_100000747405 [1,0,0,0,0,0|2,0,1]=4 770 B10R0.74 CCCCCOCC(=O)NC 34a_100000210253_100000183359 [1,0,0,0,0,0|2,0,1]=4 771 B10R0.74 CCCCCOCC(=O)NC 34a_100000750040_100000718602 [1,0,0,0,0,0|2,0,1]=4 772 B10R0.74 CCCCCOCC(=O)NC 7a_100000210253_100000183359 [1,0,0,0,0,0|2,0,1]=4 773 B10R0.74 CCCCCOCC(=O)OC 34a_100000210253_100000747449 [1,0,0,0,0,0|1,0,1]=3 774 B10R0.74 CCCCCOCC(=O)OC 7a_100000210253_100000747449 [1,0,0,0,0,0|1,0,1]=3 775 B10R0.74 CCCCCSCC(=O)CC 62a_100000210326_100000747405 [1,0,0,0,0,0|2,0,1]=4 776 B10R0.74 CCCCCSCC(=O)CC 62a_100000747405_100000210326 [1,0,0,0,0,0|2,0,1]=4 777 B10R0.74 CCCCCSCC(=O)NC 62a_100000183359_100000210326 [1,0,0,0,0,0|2,0,1]=4 778 B10R0.74 CCCCCSCC(=O)NC 62a_100000210326_100000183359 [1,0,0,0,0,0|2,0,1]=4 779 B10R0.74 CCCCCSCC(=O)OC 62a_100000210326_100000747449 [1,0,0,0,0,0|1,0,1]=3 780 B10R0.74 CCCCCSCC(=O)OC 62a_100000747449_100000210326 [1,0,0,0,0,0|1,0,1]=3 781 B10R0.74 CCCCNCCC(=O)NC 2230a_100000102301_100000737683 [1,0,0,0,0,0|2,0,1]=4 782 B10R0.74 CCCCNCCC(=O)NC 2230a_100000738227_100000210211 [1,0,0,0,0,0|2,0,1]=4 783 B10R0.74 CCCCNCCC(=O)NC 34a_100000738227_100000210210 [1,0,0,0,0,0|2,0,1]=4 784 B10R0.74 CCCCNCCC(=O)NC 7a_106832991798_100000737683 [1,0,0,0,0,0|2,0,1]=4 785 B10R0.74 CCCCNCCC(=O)OC 2230a_100000102301_100000204255 [1,0,0,0,0,0|1,0,1]=3 786 B10R0.74 CCCCNCCC(=O)OC 7a_106832991798_100000204255 [1,0,0,0,0,0|1,0,1]=3 787 B10R0.74 CCCCNN=CC(=O)OC 4a_100025702795_200011823558 [1,0,0,0,0,0|2,0,0]=3 788 B10R0.74 CCCCOCCC(=O)CC 1458a_100000210414_100000743108 [1,0,0,0,0,0|2,0,1]=4 789 B10R0.74 CCCCOCCC(=O)NC 34a_100000210227_100012179268 [1,0,0,0,0,0|2,0,1]=4 790 B10R0.74 CCCCOCCC(=O)NC 34a_100000754576_100000210210 [1,0,0,0,0,0|2,0,1]=4 791 B10R0.74 CCCCOCCC(=O)NC 7a_100000210227_100000737683 [1,0,0,0,0,0|2,0,1]=4 792 B10R0.74 CCCCOCCC(=O)OC 34a_100000210227_100000742370 [1,0,0,0,0,0|1,0,1]=3 793 B10R0.74 CCCCOCCC(=O)OC 7a_100000210227_100000204255 [1,0,0,0,0,0|1,0,1]=3 794 B10R0.74 CCCCSCCC(=O)NC 62a_100000210211_100000737683 [1,0,0,0,0,0|2,0,1]=4 795 B10R0.74 CCCCSCCC(=O)NC 62a_100000737683_100000210210 [1,0,0,0,0,0|2,0,1]=4 796 B10R0.74 CCCCSCCC(=O)OC 62a_100000204255_100000210210 [1,0,0,0,0,0|1,0,1]=3 797 B10R0.74 CCCCSCCC(=O)OC 62a_100000210211_100000204255 [1,0,0,0,0,0|1,0,1]=3 798 B10R0.74 CCCCSCOC(=O)OC 62a_100000210211_100000139417 [1,0,0,0,0,0|2,0,0]=3 799 B10R0.74 CCCNCCCC(=O)NC 2230a_100000740002_100000210303 [1,0,0,0,0,0|2,0,1]=4 800 B10R0.74 CCCNCCCC(=O)NC 34a_100000740002_100000210303 [1,0,0,0,0,0|2,0,1]=4 801 B10R0.74 CCCNCCNC(=O)CC 34a_100132302217_100000210303 [1,0,0,0,0,0|3,0,0]=4 802 B10R0.74 CCCNCCNC(=O)NC 34a_100015205895_100000210303 [1,0,0,0,0,0|3,0,0]=4 803 B10R0.74 CCCNN=CCC(=O)OC 4a_100000740057_200011552997 [1,0,0,0,0,0|2,0,1]=4 804 B10R0.74 CCCOC/C=C/C(=O)OC 34a_100000210258_100000742655 [1,0,0,0,0,0|1,0,0]=2 805 B10R0.74 CCCOCCCC(=O)NC 34a_100000210258_100000741757 [1,0,0,0,0,0|2,0,1]=4 806 B10R0.74 CCCOCCCC(=O)OC 34a_100000210258_100000742333 [1,0,0,0,0,0|1,0,1]=3 807 B10R0.74 CCCOCCNC(=O)CC 1626a_100161115042_100000210414 [1,0,0,0,0,0|3,0,0]=4 808 B10R0.74 CCCOCCNC(=O)CC 240690a_100161115042_100000210414 [1,0,0,0,0,0|3,0,0]=4 809 B10R0.74 CCCOCCNC(=O)CC 34a_200000158885_100000210303 [1,0,0,0,0,0|3,0,0]=4 810 B10R0.74 CCCOCCNC(=O)CC 527a_100161115042_100000210414 [1,0,0,0,0,0|3,0,0]=4 811 B10R0.74 CCCOCCNC(=O)CC 7a_200000158885_100000210303 [1,0,0,0,0,0|3,0,0]=4 812 B10R0.74 CCCOCCNC(=O)NC 2708a_100102657272_100161115042 [1,0,0,0,0,0|3,0,0]=4 813 B10R0.74 CCCOCCNC(=O)NC 2708a_100161115042_106832991635 [1,0,0,0,0,0|3,0,0]=4 814 B10R0.74 CCCOCCNC(=O)NC 273464a_100102657272_100161115042 [1,0,0,0,0,0|3,0,0]=4 815 B10R0.74 CCCOCCNC(=O)NC 273464a_100161115042_100102657272 [1,0,0,0,0,0|3,0,0]=4 816 B10R0.74 CCCOCCNC(=O)NC 512a_100161115042_100102657272 [1,0,0,0,0,0|3,0,0]=4 817 B10R0.74 CCCOCCNC(=O)NC 512a_106832991638_100161115042 [1,0,0,0,0,0|3,0,0]=4 818 B10R0.74 CCCOCCNC(=O)OC 34a_100000757965_100000210303 [1,0,0,0,0,0|2,0,0]=3 819 B10R0.74 CCCOCCOC(=O)CC 7a_200000031056_100000210303 [1,0,0,0,0,0|3,0,0]=4 820 B10R0.74 CCCOCCOC(=O)NC 34a_100000210258_200011997002 [1,0,0,0,0,0|3,0,0]=4 821 B10R0.74 CCCOCCOC(=O)OC 34a_100010262106_100000210303 [1,0,0,0,0,0|2,0,0]=3 822 B10R0.74 CCCSC/C=C/C(=O)OC 62a_100000210303_100000742655 [1,0,0,0,0,0|1,0,0]=2 823 B10R0.74 CCCSC/C=C/C(=O)OC 62a_100000742655_100000210303 [1,0,0,0,0,0|1,0,0]=2 824 B10R0.74 CCCSCCCC(=O)NC 62a_100000210303_100000741757 [1,0,0,0,0,0|2,0,1]=4 825 B10R0.74 CCCSCCCC(=O)NC 62a_100000741757_100000210303 [1,0,0,0,0,0|2,0,1]=4 826 B10R0.74 CCCSCCCC(=O)OC 62a_100000210303_100011218270 [1,0,0,0,0,0|1,0,1]=3 827 B10R0.74 CCCSCCCC(=O)OC 62a_100011218270_100000210303 [1,0,0,0,0,0|1,0,1]=3 828 B10R0.74 CCCSCCNC(=O)CC 11a_100020603323_100000210414 [1,0,0,0,0,0|3,0,0]=4 829 B10R0.74 CCCSCCNC(=O)CC 240690a_100020603323_100000210414 [1,0,0,0,0,0|3,0,0]=4 830 B10R0.74 CCCSCCNC(=O)CC 527a_100020603323_100000210414 [1,0,0,0,0,0|3,0,0]=4 831 B10R0.74 CCCSCCNC(=O)NC 2708a_100020603323_106832991635 [1,0,0,0,0,0|3,0,0]=4 832 B10R0.74 CCCSCCNC(=O)NC 2708a_100102657272_100020603323 [1,0,0,0,0,0|3,0,0]=4 833 B10R0.74 CCCSCCNC(=O)NC 273464a_100020603323_100102657272 [1,0,0,0,0,0|3,0,0]=4 834 B10R0.74 CCCSCCNC(=O)NC 273464a_100102657272_100020603323 [1,0,0,0,0,0|3,0,0]=4 835 B10R0.74 CCCSCCNC(=O)NC 512a_100020603323_100102657272 [1,0,0,0,0,0|3,0,0]=4 836 B10R0.74 CCCSCCNC(=O)NC 512a_106832991638_100020603323 [1,0,0,0,0,0|3,0,0]=4 837 B10R0.74 CCCSCCOC(=O)NC 62a_100000210303_200011997002 [1,0,0,0,0,0|3,0,0]=4 838 B10R0.74 CCCSCCOC(=O)NC 62a_200011997002_100000210303 [1,0,0,0,0,0|3,0,0]=4 839 B10R0.74 CCNCCCCC(=O)OC 2230a_100015525214_100000204269 [1,0,0,0,0,0|1,0,1]=3 840 B10R0.74 CCNCCOCC(=O)OC 2230a_100015525214_100000090808 [1,0,0,0,0,0|2,0,1]=4 841 B10R0.74 CCNN=CC=CC(=O)OC 4a_100000756455_100016254430 [1,0,0,0,0,0|2,0,1]=4 842 B10R0.74 CCOCCCCC(=O)OC 34a_100000059025_100000210202 [1,0,0,0,0,0|1,0,1]=3 843 B10R0.74 CCOCCCCC(=O)OC 34a_100121572206_100000204269 [1,0,0,0,0,0|1,0,1]=3 844 B10R0.74 CCOCCCCC(=O)OC 7a_100000059025_100000210202 [1,0,0,0,0,0|1,0,1]=3 845 B10R0.74 CCOCCCNC(=O)CC 11a_100000210961_100000210414 [1,0,0,0,0,0|3,0,0]=4 846 B10R0.74 CCOCCCNC(=O)CC 1626a_100000210961_100000210414 [1,0,0,0,0,0|3,0,0]=4 847 B10R0.74 CCOCCCNC(=O)CC 240690a_100000210961_100000210414 [1,0,0,0,0,0|3,0,0]=4 848 B10R0.74 CCOCCCNC(=O)CC 527a_100000210961_100000210414 [1,0,0,0,0,0|3,0,0]=4 849 B10R0.74 CCOCCCNC(=O)NC 2708a_100000210961_106832991635 [1,0,0,0,0,0|3,0,0]=4 850 B10R0.74 CCOCCCNC(=O)NC 2708a_100102657272_100000210961 [1,0,0,0,0,0|3,0,0]=4 851 B10R0.74 CCOCCCNC(=O)NC 273464a_100000210961_100102657272 [1,0,0,0,0,0|3,0,0]=4 852 B10R0.74 CCOCCCNC(=O)NC 273464a_100102657272_100000210961 [1,0,0,0,0,0|3,0,0]=4 853 B10R0.74 CCOCCCNC(=O)NC 512a_100000210961_100102657272 [1,0,0,0,0,0|3,0,0]=4 854 B10R0.74 CCOCCCNC(=O)NC 512a_106832991638_100000210961 [1,0,0,0,0,0|3,0,0]=4 855 B10R0.74 CCOCCNCC(=O)OC 2230a_102516460346_100000747449 [1,0,0,0,0,0|2,0,1]=4 856 B10R0.74 CCOCCNCC(=O)OC 34a_102516460346_100000747449 [1,0,0,0,0,0|2,0,1]=4 857 B10R0.74 CCOCCOCC(=O)OC 34a_100000210136_100000747449 [1,0,0,0,0,0|2,0,1]=4 858 B10R0.74 CCOCCOCC(=O)OC 34a_100121572206_100000090808 [1,0,0,0,0,0|2,0,1]=4 859 B10R0.74 CCOCCOCC(=O)OC 7a_100000210136_100000747449 [1,0,0,0,0,0|2,0,1]=4 860 B10R0.74 CCOCCSCC(=O)OC 62a_100000210147_100000747449 [1,0,0,0,0,0|2,0,1]=4 861 B10R0.74 CCOCCSCC(=O)OC 62a_100000747449_100011215890 [1,0,0,0,0,0|2,0,1]=4 862 B10R0.74 CCOCSCCC(=O)OC 62a_100000204255_100000739092 [1,0,0,0,0,0|2,0,1]=4 863 B10R0.74 CCOCSCCC(=O)OC 62a_100000739092_100000204255 [1,0,0,0,0,0|2,0,1]=4 864 B10R0.74 CCOCSCOC(=O)OC 62a_100000739092_100000139417 [1,0,0,0,0,0|3,0,0]=4 865 B10R0.74 CCSCCCCC(=O)OC 62a_100000204269_100000210202 [1,0,0,0,0,0|1,0,1]=3 866 B10R0.74 CCSCCCCC(=O)OC 62a_100000210202_100000204269 [1,0,0,0,0,0|1,0,1]=3 867 B10R0.74 CCSCCNCC(=O)OC 2230a_100000106463_100000747449 [1,0,0,0,0,0|2,0,1]=4 868 B10R0.74 CCSCCOCC(=O)OC 34a_100000212035_100000747449 [1,0,0,0,0,0|2,0,1]=4 869 B10R0.74 CCSCCOCC(=O)OC 62a_100000090808_100000210202 [1,0,0,0,0,0|2,0,1]=4 870 B10R0.74 CCSCCOCC(=O)OC 62a_100000210202_100000090808 [1,0,0,0,0,0|2,0,1]=4 871 B10R0.74 CCSCCOCC(=O)OC 7a_100000212035_100000747449 [1,0,0,0,0,0|2,0,1]=4 872 B10R0.74 CCSCCSCC(=O)OC 62a_100000747449_100000757381 [1,0,0,0,0,0|2,0,1]=4 873 B10R0.74 CCSCCSCC(=O)OC 62a_100000757381_100000747449 [1,0,0,0,0,0|2,0,1]=4 874 B10R0.74 CNC(=O)CCCCCCO 240690a_100102657272_100011996774 [1,0,0,0,0,0|2,0,1]=4 875 B10R0.74 CNC(=O)CCCCCOC 11a_106832991635_100011935119 [1,0,0,0,0,0|2,0,1]=4 876 B10R0.74 CNC(=O)CCCCCOC 1626a_100102657272_100011935119 [1,0,0,0,0,0|2,0,1]=4 877 B10R0.74 CNC(=O)CCCCCOC 240690a_100102657272_100011935119 [1,0,0,0,0,0|2,0,1]=4 878 B10R0.74 CNC(=O)CCCCCOC 527a_100102657272_100011935119 [1,0,0,0,0,0|2,0,1]=4 879 B10R0.74 CNC(=O)NCCCCCO 2708a_100102657272_100000762737 [1,0,0,0,0,0|3,0,0]=4 880 B10R0.74 CNC(=O)NCCCCCO 273464a_100000762737_100102657272 [1,0,0,0,0,0|3,0,0]=4 881 B10R0.74 CNC(=O)NCCCCCO 273464a_100102657272_100000762737 [1,0,0,0,0,0|3,0,0]=4 882 B10R0.74 CNC(=O)NCCCCCO 512a_100000762737_100102657272 [1,0,0,0,0,0|3,0,0]=4 883 B10R0.74 CNC(=O)NCCCCCO 512a_106832991638_100000762737 [1,0,0,0,0,0|3,0,0]=4 884 B10R0.74 CNCCCCCC(=O)OC 2230a_106832991635_100009816466 [1,0,0,0,0,0|1,0,1]=3 885 B10R0.74 CNCCCCCC(=O)OC 34a_100102657272_100009816466 [1,0,0,0,0,0|1,0,1]=3 886 B10R0.74 CNCCCCCC(=O)OC 7a_106832991635_100009816466 [1,0,0,0,0,0|1,0,1]=3 887 B10R0.74 CNCCCOCC(=O)OC 34a_100000213112_100000747449 [1,0,0,0,0,0|2,0,1]=4 888 B10R0.74 COC(=O)/C=C/CNCCF 34a_100000724931_100000742655 [1,0,0,0,0,0|2,0,0]=3 889 B10R0.74 COC(=O)/C=C/CNCCO 2230a_100016997473_100000742655 [1,0,0,0,0,0|2,0,0]=3 890 B10R0.74 COC(=O)/C=C/CNCCO 34a_100016990907_100000742655 [1,0,0,0,0,0|2,0,0]=3 891 B10R0.74 COC(=O)/C=C/COCCBr 34a_100000211926_100000742655 [1,0,0,0,0,0|2,0,0]=3 892 B10R0.74 COC(=O)/C=C/COCCN 34a_100000210304_100000742655 [1,0,0,0,0,0|2,0,0]=3 893 B10R0.74 COC(=O)/C=C/CSCC#N 62a_100000742655_100011215382 [1,0,0,0,0,0|2,0,1]=4 894 B10R0.74 COC(=O)/C=C/CSCC#N 62a_100011215382_100000742655 [1,0,0,0,0,0|2,0,1]=4 895 B10R0.74 COC(=O)/C=C/CSCC=O 62a_100000742655_200015260668 [1,0,0,0,0,0|2,0,1]=4 896 B10R0.74 COC(=O)/C=C/CSCC=O 62a_200015260668_100000742655 [1,0,0,0,0,0|2,0,1]=4 897 B10R0.74 COC(=O)/C=C/CSCCF 62a_100000742655_100011217306 [1,0,0,0,0,0|2,0,0]=3 898 B10R0.74 COC(=O)/C=C/CSCCF 62a_100011217306_100000742655 [1,0,0,0,0,0|2,0,0]=3 899 B10R0.74 COC(=O)/C=C/CSCCO 62a_100000211926_100000742655 [1,0,0,0,0,0|2,0,0]=3 900 B10R0.74 COC(=O)/C=C/CSCCO 62a_100000742655_100000211926 [1,0,0,0,0,0|2,0,0]=3 901 B10R0.74 COC(=O)/C=C/CSCSC 62a_100000742655_100011218213 [1,0,0,0,0,0|2,0,0]=3 902 B10R0.74 COC(=O)/C=C/CSCSC 62a_100011218213_100000742655 [1,0,0,0,0,0|2,0,0]=3 903 B10R0.74 COC(=O)CCCCCO[13CH3] 34a_100000074720_200025704644 [1,0,0,0,0,0|1,0,1]=3 904 B10R0.74 COC(=O)CCCCCO[13CH3] 7a_100000074720_200025704644 [1,0,0,0,0,0|1,0,1]=3 905 B10R0.74 COC(=O)CCCCCSC 62a_100009816466_200000210301 [1,0,0,0,0,0|1,0,1]=3 906 B10R0.74 COC(=O)CCCCCSC 62a_200000210301_100009816466 [1,0,0,0,0,0|1,0,1]=3 907 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_100009816466_200025704644 [1,0,0,0,0,0|1,0,1]=3 908 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_200025704644_100009816466 [1,0,0,0,0,0|1,0,1]=3 909 B10R0.74 COC(=O)CCCCOCF 34a_100000059025_100015361967 [1,0,0,0,0,0|2,0,1]=4 910 B10R0.74 COC(=O)CCCCOCF 7a_100000059025_100015361967 [1,0,0,0,0,0|2,0,1]=4 911 B10R0.74 COC(=O)CCCCSCF 62a_100000204269_100015361967 [1,0,0,0,0,0|2,0,1]=4 912 B10R0.74 COC(=O)CCCCSCF 62a_100015361967_100000204269 [1,0,0,0,0,0|2,0,1]=4 913 B10R0.74 COC(=O)CCCNCCF 34a_100000724931_100000742333 [1,0,0,0,0,0|2,0,1]=4 914 B10R0.74 COC(=O)CCCNCCO 2230a_100016997473_100011218270 [1,0,0,0,0,0|2,0,1]=4 915 B10R0.74 COC(=O)CCCNCCO 34a_100016990907_100000742333 [1,0,0,0,0,0|2,0,1]=4 916 B10R0.74 COC(=O)CCCOCCBr 34a_100000211926_100000742333 [1,0,0,0,0,0|2,0,1]=4 917 B10R0.74 COC(=O)CCCOCCN 34a_100000210304_100000742333 [1,0,0,0,0,0|2,0,1]=4 918 B10R0.74 COC(=O)CCCSCCF 62a_100011217306_100011218270 [1,0,0,0,0,0|2,0,1]=4 919 B10R0.74 COC(=O)CCCSCCF 62a_100011218270_100011217306 [1,0,0,0,0,0|2,0,1]=4 920 B10R0.74 COC(=O)CCCSCCO 62a_100000211926_100011218270 [1,0,0,0,0,0|2,0,1]=4 921 B10R0.74 COC(=O)CCCSCCO 62a_100011218270_100000211926 [1,0,0,0,0,0|2,0,1]=4 922 B10R0.74 COC(=O)CCCSCSC 62a_100011218213_100011218270 [1,0,0,0,0,0|2,0,1]=4 923 B10R0.74 COC(=O)CCCSCSC 62a_100011218270_100011218213 [1,0,0,0,0,0|2,0,1]=4 924 B10R0.74 COC(=O)CCNCCCF 2230a_100015189416_100000204255 [1,0,0,0,0,0|2,0,1]=4 925 B10R0.74 COC(=O)CCNCCCF 34a_100015189416_100000742370 [1,0,0,0,0,0|2,0,1]=4 926 B10R0.74 COC(=O)CCNCCSC 2230a_100020590264_100000204255 [1,0,0,0,0,0|2,0,1]=4 927 B10R0.74 COC(=O)CCOCCCBr 34a_100011217188_100000742370 [1,0,0,0,0,0|2,0,1]=4 928 B10R0.74 COC(=O)CCOCCCCl 34a_100000230001_100000742370 [1,0,0,0,0,0|2,0,1]=4 929 B10R0.74 COC(=O)CCOCCCF 34a_100000759539_100000742370 [1,0,0,0,0,0|2,0,1]=4 930 B10R0.74 COC(=O)CCOCCCN 34a_100000182051_100000742370 [1,0,0,0,0,0|2,0,1]=4 931 B10R0.74 COC(=O)CCOCCSC 34a_100000230434_100000742370 [1,0,0,0,0,0|2,0,1]=4 932 B10R0.74 COC(=O)CCOCCSC 7a_100000230434_100000204255 [1,0,0,0,0,0|2,0,1]=4 933 B10R0.74 COC(=O)CCSCCCF 62a_100000204255_100011934791 [1,0,0,0,0,0|2,0,1]=4 934 B10R0.74 COC(=O)CCSCCCF 62a_100011934791_100000204255 [1,0,0,0,0,0|2,0,1]=4 935 B10R0.74 COC(=O)CCSCCCO 62a_100000204255_100011215043 [1,0,0,0,0,0|2,0,1]=4 936 B10R0.74 COC(=O)CCSCCCO 62a_100011215043_100000204255 [1,0,0,0,0,0|2,0,1]=4 937 B10R0.74 COC(=O)CCSCCSC 62a_100000204255_100000751147 [1,0,0,0,0,0|2,0,1]=4 938 B10R0.74 COC(=O)CCSCCSC 62a_100000212216_100000204255 [1,0,0,0,0,0|2,0,1]=4 939 B10R0.74 COC(=O)CNCCCCO 2230a_100000750430_100000747449 [1,0,0,0,0,0|2,0,1]=4 940 B10R0.74 COC(=O)CNCCCCO 34a_100000750430_100000747449 [1,0,0,0,0,0|2,0,1]=4 941 B10R0.74 COC(=O)CNCCCSC 2230a_100000749238_100000747449 [1,0,0,0,0,0|2,0,1]=4 942 B10R0.74 COC(=O)COCCCCBr 34a_100011216708_100000747449 [1,0,0,0,0,0|2,0,1]=4 943 B10R0.74 COC(=O)COCCCCCl 34a_100000210776_100000747449 [1,0,0,0,0,0|2,0,1]=4 944 B10R0.74 COC(=O)COCCCCCl 7a_100000210776_100000747449 [1,0,0,0,0,0|2,0,1]=4 945 B10R0.74 COC(=O)COCCCCF 34a_100011995726_100000747449 [1,0,0,0,0,0|2,0,1]=4 946 B10R0.74 COC(=O)COCCCCF 7a_100011995726_100000747449 [1,0,0,0,0,0|2,0,1]=4 947 B10R0.74 COC(=O)COCCCCI 34a_200012148704_100000747449 [1,0,0,0,0,0|2,0,1]=4 948 B10R0.74 COC(=O)COCCCCN 34a_100000750430_100000747449 [1,0,0,0,0,0|2,0,1]=4 949 B10R0.74 COC(=O)COCCCSC 34a_100000690336_100000747449 [1,0,0,0,0,0|2,0,1]=4 950 B10R0.74 COC(=O)COCCCSC 7a_100000690336_100000747449 [1,0,0,0,0,0|2,0,1]=4 951 B10R0.74 COC(=O)CSCCCCF 62a_100000729493_100000747449 [1,0,0,0,0,0|2,0,1]=4 952 B10R0.74 COC(=O)CSCCCCF 62a_100000747449_100000729493 [1,0,0,0,0,0|2,0,1]=4 953 B10R0.74 COC(=O)CSCCCCO 62a_100000210776_100000747449 [1,0,0,0,0,0|2,0,1]=4 954 B10R0.74 COC(=O)CSCCCCO 62a_100000747449_100000210776 [1,0,0,0,0,0|2,0,1]=4 955 B10R0.74 COC(=O)NCCOCCF 34a_100000757965_100011217306 [1,0,0,0,0,0|3,0,0]=4 956 B10R0.74 COC(=O)NCCOCCO 34a_100000757965_100000211926 [1,0,0,0,0,0|3,0,0]=4 957 B10R0.74 COC(=O)NCCOCSC 34a_100000757965_100011218213 [1,0,0,0,0,0|3,0,0]=4 958 B10R0.74 COC(=O)OCCOCCF 34a_100010262106_100011217306 [1,0,0,0,0,0|3,0,0]=4 959 B10R0.74 COC(=O)OCCOCCO 34a_100010262106_100000211926 [1,0,0,0,0,0|3,0,0]=4 960 B10R0.74 COC(=O)OCCOCSC 34a_100010262106_100011218213 [1,0,0,0,0,0|3,0,0]=4 961 B10R0.74 COC(=O)OCSCCCF 62a_100011934791_100000139417 [1,0,0,0,0,0|3,0,0]=4 962 B10R0.74 COC(=O)OCSCCCO 62a_100011215043_100000139417 [1,0,0,0,0,0|3,0,0]=4 963 B10R0.74 COC(=O)OCSCCSC 62a_100000212216_100000139417 [1,0,0,0,0,0|3,0,0]=4 964 B10R0.74 COCCCCCC(=O)OC 34a_100000074720_200000210301 [1,0,0,0,0,0|1,0,1]=3 965 B10R0.74 COCCCCCC(=O)OC 34a_100138415774_100009816466 [1,0,0,0,0,0|1,0,1]=3 966 B10R0.74 COCCCCCC(=O)OC 7a_100000074720_200000210301 [1,0,0,0,0,0|1,0,1]=3 967 B10R0.74 COCCCNCC(=O)OC 34a_100150723488_100000747449 [1,0,0,0,0,0|2,0,1]=4 968 B10R0.74 COCCCOCC(=O)OC 34a_100000740835_100000747449 [1,0,0,0,0,0|2,0,1]=4 969 B10R0.74 COCCCSCC(=O)OC 62a_100000709357_100000747449 [1,0,0,0,0,0|2,0,1]=4 970 B10R0.74 COCCCSCC(=O)OC 62a_100000747449_100000709357 [1,0,0,0,0,0|2,0,1]=4 971 B10R0.74 COCCNCCC(=O)OC 2230a_100000209980_100000204255 [1,0,0,0,0,0|2,0,1]=4 972 B10R0.74 COCCOCCC(=O)OC 34a_100000210237_100000742370 [1,0,0,0,0,0|2,0,1]=4 973 B10R0.74 COCCSCCC(=O)OC 62a_100000204255_100000233755 [1,0,0,0,0,0|2,0,1]=4 974 B10R0.74 COCCSCCC(=O)OC 62a_100000233755_100000204255 [1,0,0,0,0,0|2,0,1]=4 975 B10R0.74 COCCSCOC(=O)OC 62a_100000233755_100000139417 [1,0,0,0,0,0|3,0,0]=4 976 B10R0.74 COCSC/C=C/C(=O)OC 62a_100000742655_100000766300 [1,0,0,0,0,0|2,0,0]=3 977 B10R0.74 COCSC/C=C/C(=O)OC 62a_100000766300_100000742655 [1,0,0,0,0,0|2,0,0]=3 978 B10R0.74 COCSCCCC(=O)OC 62a_100000766300_100011218270 [1,0,0,0,0,0|2,0,1]=4 979 B10R0.74 COCSCCCC(=O)OC 62a_100011218270_100000766300 [1,0,0,0,0,0|2,0,1]=4 980 B12R0.1 C#CCC(=O)C=CCCCCCC 1458a_200015324643_100000184674 [0,1,0,0,0,0|1,0,1]=3 981 B12R0.1 C#CCCNC/C=C/C(=O)OCC 34a_100000755551_100016267167 [0,1,0,0,0,0|1,0,2]=4 982 B12R0.1 C#CCCOC/C=C/C(=O)OCC 34a_100011215631_100016267167 [0,1,0,0,0,0|1,0,2]=4 983 B12R0.1 C#CCCSC/C=C/C(=O)OCC 62a_100000688953_100016267167 [0,1,0,0,0,0|1,0,2]=4 984 B12R0.1 C#CCCSC/C=C/C(=O)OCC 62a_100016267167_100000688953 [0,1,0,0,0,0|1,0,2]=4 985 B12R0.1 C/C=C/COC/C=C/C(=O)OCC 34a_100016270725_100016267167 [0,1,0,0,0,0|1,0,2]=4 986 B12R0.1 C/C=C/CSC/C=C/C(=O)OCC 62a_100016267167_100102629194 [0,1,0,0,0,0|1,0,2]=4 987 B12R0.1 C/C=C/CSC/C=C/C(=O)OCC 62a_100102629194_100016267167 [0,1,0,0,0,0|1,0,2]=4 988 B12R0.1 C=CCC(=O)C=CCCCCCC 1458a_200015324643_100000210623 [0,1,0,0,0,0|1,0,1]=3 989 B12R0.1 C=CCCNC/C=C/C(=O)OCC 2230a_100015191253_100016267167 [0,1,0,0,0,0|1,0,2]=4 990 B12R0.1 C=CCCOC/C=C/C(=O)OCC 34a_100011205117_100016267167 [0,1,0,0,0,0|1,0,2]=4 991 B12R0.1 C=CCCSC/C=C/C(=O)OCC 62a_100000754431_100016267167 [0,1,0,0,0,0|1,0,2]=4 992 B12R0.1 C=CCCSC/C=C/C(=O)OCC 62a_100016267167_100000754431 [0,1,0,0,0,0|1,0,2]=4 993 B12R0.1 C=COC(=O)CNCCCCCC 2230a_100000210581_100000036128 [0,1,0,0,0,0|1,0,2]=4 994 B12R0.1 C=COC(=O)COCCCCCC 34a_100000210259_100000036128 [0,1,0,0,0,0|1,0,2]=4 995 B12R0.1 C=COC(=O)CSCCCCCC 62a_100000036128_100000210757 [0,1,0,0,0,0|1,0,2]=4 996 B12R0.1 C=COC(=O)CSCCCCCC 62a_100000210314_100000036128 [0,1,0,0,0,0|1,0,2]=4 997 B12R0.1 CC#CC(=O)CCCCCCCC 1458a_100000763181_100000210759 [0,1,0,0,0,0|1,0,2]=4 998 B12R0.1 CC#CCNC/C=C/C(=O)OCC 2230a_100000685387_100016267167 [0,1,0,0,0,0|1,0,2]=4 999 B12R0.1 CC#CCNC/C=C/C(=O)OCC 34a_100000685387_100016267167 [0,1,0,0,0,0|1,0,2]=4 1000 B12R0.1 CC#CCOC/C=C/C(=O)OCC 34a_100000761923_100016267167 [0,1,0,0,0,0|1,0,2]=4 1001 B12R0.1 CC#CCSC/C=C/C(=O)OCC 62a_100000748600_100016267167 [0,1,0,0,0,0|1,0,2]=4 1002 B12R0.1 CC#CCSC/C=C/C(=O)OCC 62a_100016267167_100000748600 [0,1,0,0,0,0|1,0,2]=4 1003 B12R0.1 CC=CC(=O)CCCCCCCC 1458a_100000210699_100000210759 [0,1,0,0,0,0|1,0,2]=4 1004 B12R0.1 CC=CC(=O)NCCCCCCC 11a_100000229938_100000210699 [0,1,0,0,0,0|2,0,1]=4 1005 B12R0.1 CC=CC(=O)NCCCCCCC 1626a_100000229938_100000210699 [0,1,0,0,0,0|2,0,1]=4 1006 B12R0.1 CC=CC(=O)NCCCCCCC 240690a_100000229938_100000210699 [0,1,0,0,0,0|2,0,1]=4 1007 B12R0.1 CC=CCSC/C=C/C(=O)OCC 62a_100000070051_100016267167 [0,1,0,0,0,0|1,0,2]=4 1008 B12R0.1 CC=CCSC/C=C/C(=O)OCC 62a_100016267167_100000070051 [0,1,0,0,0,0|1,0,2]=4 1009 B12R0.1 CCCCC/C=C/CC(=O)CCC 1458a_100020675968_100000210303 [0,1,0,0,0,0|1,0,2]=4 1010 B12R0.1 CCCCC/C=C/CC(=O)CCF 1458a_100020675968_100011217306 [0,1,0,0,0,0|1,0,2]=4 1011 B12R0.1 CCCCC/C=C/CC(=O)CCO 1458a_100020675968_100000211926 [0,1,0,0,0,0|1,0,2]=4 1012 B12R0.1 CCCCC/C=C/CC(=O)NCC 11a_100015525214_100020675968 [0,1,0,0,0,0|1,0,2]=4 1013 B12R0.1 CCCCC/C=C/CC(=O)NCC 240690a_100015525214_100020675968 [0,1,0,0,0,0|1,0,2]=4 1014 B12R0.1 CCCCC/C=C/CC(=O)NNC 22a_100016993582_100020675968 [0,1,0,0,0,0|1,0,2]=4 1015 B12R0.1 CCCCCC#CCC(=O)COC 1458a_100000210968_100009816472 [0,1,0,0,0,0|0,0,3]=4 1016 B12R0.1 CCCCCC=NNC(=O)COC 4a_100000216845_100000737632 [0,1,0,0,0,0|2,0,1]=4 1017 B12R0.1 CCCCCCC=CC(=O)CC#N 1458a_200015324643_100011214920 [0,1,0,0,0,0|1,0,1]=3 1018 B12R0.1 CCCCCCC=CC(=O)CCC 1458a_200015324643_100000210303 [0,1,0,0,0,0|1,0,0]=2 1019 B12R0.1 CCCCCCC=CC(=O)CCF 1458a_200015324643_100011217306 [0,1,0,0,0,0|1,0,0]=2 1020 B12R0.1 CCCCCCC=CC(=O)CCO 1458a_200015324643_100000211926 [0,1,0,0,0,0|1,0,0]=2 1021 B12R0.1 CCCCCCC=CC(=O)NCC 11a_100015525214_200015324643 [0,1,0,0,0,0|1,0,0]=2 1022 B12R0.1 CCCCCCC=CC(=O)NCC 240690a_100015525214_200015324643 [0,1,0,0,0,0|1,0,0]=2 1023 B12R0.1 CCCCCCC=CC(=O)NNC 22a_100016993582_200015324643 [0,1,0,0,0,0|1,0,0]=2 1024 B12R0.1 CCCCCCCCC(=O)CCC 1458a_100000210188_100000210303 [0,1,0,0,0,0|1,0,2]=4 1025 B12R0.1 CCCCCCCCC(=O)CCC 1458a_100000211992_100000210759 [0,1,0,0,0,0|1,0,2]=4 1026 B12R0.1 CCCCCCCCC(=O)CCF 1458a_100000210188_100011217306 [0,1,0,0,0,0|1,0,2]=4 1027 B12R0.1 CCCCCCCCC(=O)CCO 1458a_100000210188_100000211926 [0,1,0,0,0,0|1,0,2]=4 1028 B12R0.1 CCCCCCCCC(=O)CCO 1458a_100011216618_100000210759 [0,1,0,0,0,0|1,0,2]=4 1029 B12R0.1 CCCCCCCCC(=O)COC 1458a_100000210968_100000210759 [0,1,0,0,0,0|0,0,2]=3 1030 B12R0.1 CCCCCCCCC(=O)CSC 1458a_100000184570_100000210759 [0,1,0,0,0,0|0,1,2]=4 1031 B12R0.1 CCCCCCCCC(=O)NCC 11a_100015525214_100000210188 [0,1,0,0,0,0|1,0,2]=4 1032 B12R0.1 CCCCCCCCC(=O)NCC 240690a_100015525214_100000210188 [0,1,0,0,0,0|1,0,2]=4 1033 B12R0.1 CCCCCCCCC(=O)NCC 527a_100015525214_100000210188 [0,1,0,0,0,0|1,0,2]=4 1034 B12R0.1 CCCCCCCCC(=O)NNC 22a_100016993582_100000210188 [0,1,0,0,0,0|1,0,2]=4 1035 B12R0.1 CCCCCCCNC(=O)CCC 11a_100000229938_100000211992 [0,1,0,0,0,0|2,0,1]=4 1036 B12R0.1 CCCCCCCNC(=O)CCC 1626a_100000229938_100000211992 [0,1,0,0,0,0|2,0,1]=4 1037 B12R0.1 CCCCCCCNC(=O)CCC 240690a_100000229938_100000211992 [0,1,0,0,0,0|2,0,1]=4 1038 B12R0.1 CCCCCCCNC(=O)CCC 527a_100000229938_100000211992 [0,1,0,0,0,0|2,0,1]=4 1039 B12R0.1 CCCCCCCNC(=O)CCO 240690a_100000229938_100011216618 [0,1,0,0,0,0|2,0,1]=4 1040 B12R0.1 CCCCCCCNC(=O)COC 11a_100000229938_100000210968 [0,1,0,0,0,0|1,0,1]=3 1041 B12R0.1 CCCCCCCNC(=O)COC 1626a_100000229938_100000210968 [0,1,0,0,0,0|1,0,1]=3 1042 B12R0.1 CCCCCCCNC(=O)COC 240690a_100000229938_100000210968 [0,1,0,0,0,0|1,0,1]=3 1043 B12R0.1 CCCCCCCNC(=O)COC 527a_100000229938_100000210968 [0,1,0,0,0,0|1,0,1]=3 1044 B12R0.1 CCCCCCCNC(=O)CSC 11a_100000229938_100000184570 [0,1,0,0,0,0|1,1,1]=4 1045 B12R0.1 CCCCCCCNC(=O)CSC 1626a_100000229938_100000184570 [0,1,0,0,0,0|1,1,1]=4 1046 B12R0.1 CCCCCCCNC(=O)CSC 240690a_100000229938_100000184570 [0,1,0,0,0,0|1,1,1]=4 1047 B12R0.1 CCCCCCCNC(=O)CSC 527a_100000229938_100000184570 [0,1,0,0,0,0|1,1,1]=4 1048 B12R0.1 CCCCCCCNC(=O)NCC 2708a_100000229938_100015525214 [0,1,0,0,0,0|2,0,1]=4 1049 B12R0.1 CCCCCCCNC(=O)NCC 2708a_100015525214_100000229938 [0,1,0,0,0,0|2,0,1]=4 1050 B12R0.1 CCCCCCCNC(=O)NCC 273464a_100000229938_100015525214 [0,1,0,0,0,0|2,0,1]=4 1051 B12R0.1 CCCCCCCNC(=O)NCC 273464a_100015525214_100000229938 [0,1,0,0,0,0|2,0,1]=4 1052 B12R0.1 CCCCCCCNC(=O)NCC 512a_100000229938_100015525214 [0,1,0,0,0,0|2,0,1]=4 1053 B12R0.1 CCCCCCCNC(=O)NCC 512a_100015525214_100000229938 [0,1,0,0,0,0|2,0,1]=4 1054 B12R0.1 CCCCCCCNC(=O)NNC 273464a_100000229938_100016993582 [0,1,0,0,0,0|2,0,1]=4 1055 B12R0.1 CCCCCCCNC(=O)NNC 512a_100000229938_100016993582 [0,1,0,0,0,0|2,0,1]=4 1056 B12R0.1 CCCCCCCNC(=O)NNC 512a_100016993582_100000229938 [0,1,0,0,0,0|2,0,1]=4 1057 B12R0.1 CCCCCCNCC(=O)CCC 2230a_100000210581_100000747444 [0,1,0,0,0,0|2,0,1]=4 1058 B12R0.1 CCCCCCNCC(=O)NCC 2230a_100000210581_100000183381 [0,1,0,0,0,0|2,0,1]=4 1059 B12R0.1 CCCCCCNCC(=O)NCC 2230a_100016988866_100000210314 [0,1,0,0,0,0|2,0,1]=4 1060 B12R0.1 CCCCCCNCC(=O)NCO 2230a_100000210581_100000185155 [0,1,0,0,0,0|2,0,1]=4 1061 B12R0.1 CCCCCCNCC(=O)OCC 2230a_100000210581_100000188475 [0,1,0,0,0,0|1,0,1]=3 1062 B12R0.1 CCCCCCOCC(=O)CCC 7a_100000210259_100000747444 [0,1,0,0,0,0|2,0,1]=4 1063 B12R0.1 CCCCCCOCC(=O)NCC 34a_100000210259_100000183381 [0,1,0,0,0,0|2,0,1]=4 1064 B12R0.1 CCCCCCOCC(=O)NCC 7a_100000210259_100000183381 [0,1,0,0,0,0|2,0,1]=4 1065 B12R0.1 CCCCCCOCC(=O)NCO 34a_100000210259_100000185155 [0,1,0,0,0,0|2,0,1]=4 1066 B12R0.1 CCCCCCOCC(=O)NCO 7a_100000210259_100000185155 [0,1,0,0,0,0|2,0,1]=4 1067 B12R0.1 CCCCCCOCC(=O)OCC 34a_100000210259_100000188475 [0,1,0,0,0,0|1,0,1]=3 1068 B12R0.1 CCCCCCOCC(=O)OCC 7a_100000210259_100000188475 [0,1,0,0,0,0|1,0,1]=3 1069 B12R0.1 CCCCCCSCC(=O)CCC 62a_100000210314_100000747444 [0,1,0,0,0,0|2,0,1]=4 1070 B12R0.1 CCCCCCSCC(=O)CCC 62a_100000747444_100000210757 [0,1,0,0,0,0|2,0,1]=4 1071 B12R0.1 CCCCCCSCC(=O)NCC 62a_100000183381_100000210757 [0,1,0,0,0,0|2,0,1]=4 1072 B12R0.1 CCCCCCSCC(=O)NCC 62a_100000210314_100000183381 [0,1,0,0,0,0|2,0,1]=4 1073 B12R0.1 CCCCCCSCC(=O)NCO 62a_100000185155_100000210757 [0,1,0,0,0,0|2,0,1]=4 1074 B12R0.1 CCCCCCSCC(=O)NCO 62a_100000210314_100000185155 [0,1,0,0,0,0|2,0,1]=4 1075 B12R0.1 CCCCCCSCC(=O)OCC 62a_100000188475_100000210757 [0,1,0,0,0,0|1,0,1]=3 1076 B12R0.1 CCCCCCSCC(=O)OCC 62a_100000210314_100000188475 [0,1,0,0,0,0|1,0,1]=3 1077 B12R0.1 CCCCCNCCC(=O)OCC 2230a_100000209983_100011206558 [0,1,0,0,0,0|1,0,2]=4 1078 B12R0.1 CCCCCNN=CC(=O)OCC 4a_100000694160_100000742314 [0,1,0,0,0,0|2,0,0]=3 1079 B12R0.1 CCCCCOCCC(=O)OCC 34a_100000210253_100000765890 [0,1,0,0,0,0|1,0,2]=4 1080 B12R0.1 CCCCCOCCC(=O)OCC 7a_100000210253_100011206558 [0,1,0,0,0,0|1,0,2]=4 1081 B12R0.1 CCCCCSCCC(=O)OCC 62a_100000210326_100000765890 [0,1,0,0,0,0|1,0,2]=4 1082 B12R0.1 CCCCCSCCC(=O)OCC 62a_100000765890_100000210326 [0,1,0,0,0,0|1,0,2]=4 1083 B12R0.1 CCCCCSCOC(=O)OCC 62a_100000210326_100000075025 [0,1,0,0,0,0|2,0,1]=4 1084 B12R0.1 CCCCNC/C=C/C(=O)OCC 2230a_100000102301_100016267167 [0,1,0,0,0,0|1,0,0]=2 1085 B12R0.1 CCCCNC/C=C/C(=O)OCC 7a_106832991798_100016267167 [0,1,0,0,0,0|1,0,0]=2 1086 B12R0.1 CCCCNCCCC(=O)OCC 2230a_100000102301_100009991533 [0,1,0,0,0,0|1,0,2]=4 1087 B12R0.1 CCCCNCCCC(=O)OCC 7a_106832991798_100011215271 [0,1,0,0,0,0|1,0,2]=4 1088 B12R0.1 CCCCNCCNC(=O)OCC 7a_106832991798_200011445536 [0,1,0,0,0,0|2,0,1]=4 1089 B12R0.1 CCCCNN=C[CH-]C(=O)OCC 4a_100025702795_100010622808 [0,1,0,0,0,0|2,0,1]=4 1090 B12R0.1 CCCCOC/C=C/C(=O)OCC 34a_100000210227_100016267167 [0,1,0,0,0,0|1,0,0]=2 1091 B12R0.1 CCCCOC/C=C/C(=O)OCC 7a_100000210227_100016267167 [0,1,0,0,0,0|1,0,0]=2 1092 B12R0.1 CCCCOCCCC(=O)OCC 34a_100000210227_100009991533 [0,1,0,0,0,0|1,0,2]=4 1093 B12R0.1 CCCCOCCCC(=O)OCC 7a_100000210227_100011215271 [0,1,0,0,0,0|1,0,2]=4 1094 B12R0.1 CCCCOCCCC(=O)OCC 7a_100012001163_100000210211 [0,1,0,0,0,0|1,0,2]=4 1095 B12R0.1 CCCCOCCNC(=O)OCC 34a_100000158857_100000210210 [0,1,0,0,0,0|2,0,1]=4 1096 B12R0.1 CCCCOCCNC(=O)OCC 7a_100000210227_200011445536 [0,1,0,0,0,0|2,0,1]=4 1097 B12R0.1 CCCCOCSCC(=O)OCC 62a_100000188475_100011995733 [0,1,0,0,0,0|2,0,1]=4 1098 B12R0.1 CCCCOCSCC(=O)OCC 62a_100011995733_100000188475 [0,1,0,0,0,0|2,0,1]=4 1099 B12R0.1 CCCCSC/C=C/C(=O)OCC 62a_100000210211_100016267167 [0,1,0,0,0,0|1,0,0]=2 1100 B12R0.1 CCCCSC/C=C/C(=O)OCC 62a_100016267167_100000210210 [0,1,0,0,0,0|1,0,0]=2 1101 B12R0.1 CCCCSCCCC(=O)OCC 62a_100000210211_100009991533 [0,1,0,0,0,0|1,0,2]=4 1102 B12R0.1 CCCCSCCCC(=O)OCC 62a_100009991533_100000210210 [0,1,0,0,0,0|1,0,2]=4 1103 B12R0.1 CCCCSCCNC(=O)COC 11a_100025743550_100000210968 [0,1,0,0,0,0|2,0,1]=4 1104 B12R0.1 CCCCSCCNC(=O)COC 1626a_100025743550_100000210968 [0,1,0,0,0,0|2,0,1]=4 1105 B12R0.1 CCCCSCCNC(=O)COC 240690a_100025743550_100000210968 [0,1,0,0,0,0|2,0,1]=4 1106 B12R0.1 CCCCSCCNC(=O)COC 527a_100025743550_100000210968 [0,1,0,0,0,0|2,0,1]=4 1107 B12R0.1 CCCCSCCNC(=O)OCC 62a_100000210211_200011445536 [0,1,0,0,0,0|2,0,1]=4 1108 B12R0.1 CCCNN=CC=CC(=O)OCC 4a_100000740057_100016289910 [0,1,0,0,0,0|2,0,1]=4 1109 B12R0.1 CCCOCCCCC(=O)OCC 34a_100000210258_100000750268 [0,1,0,0,0,0|1,0,2]=4 1110 B12R0.1 CCCOCCCNC(=O)COC 1626a_100011217757_100000210968 [0,1,0,0,0,0|2,0,1]=4 1111 B12R0.1 CCCOCCCNC(=O)COC 240690a_100011217757_100000210968 [0,1,0,0,0,0|2,0,1]=4 1112 B12R0.1 CCCOCCCNC(=O)COC 527a_100011217757_100000210968 [0,1,0,0,0,0|2,0,1]=4 1113 B12R0.1 CCCOCCNCC(=O)OCC 2230a_100161115042_100000188475 [0,1,0,0,0,0|2,0,1]=4 1114 B12R0.1 CCCOCCNCC(=O)OCC 34a_100161115042_100000188475 [0,1,0,0,0,0|2,0,1]=4 1115 B12R0.1 CCCOCCOCC(=O)OCC 34a_100000210258_100000088970 [0,1,0,0,0,0|2,0,1]=4 1116 B12R0.1 CCCOCCOCC(=O)OCC 34a_100000752267_100000188475 [0,1,0,0,0,0|2,0,1]=4 1117 B12R0.1 CCCOCCOCC(=O)OCC 7a_100000752267_100000188475 [0,1,0,0,0,0|2,0,1]=4 1118 B12R0.1 CCCOCCSCC(=O)OCC 62a_100000188475_100011215938 [0,1,0,0,0,0|2,0,1]=4 1119 B12R0.1 CCCOCCSCC(=O)OCC 62a_100011215938_100000188475 [0,1,0,0,0,0|2,0,1]=4 1120 B12R0.1 CCCOCCSCC(=O)OCC 7a_200000230590_100000210303 [0,1,0,0,0,0|2,0,1]=4 1121 B12R0.1 CCCSCCCCC(=O)OCC 62a_100000210303_100000750268 [0,1,0,0,0,0|1,0,2]=4 1122 B12R0.1 CCCSCCCCC(=O)OCC 62a_100000750268_100000210303 [0,1,0,0,0,0|1,0,2]=4 1123 B12R0.1 CCCSCCNCC(=O)OCC 2230a_100020603323_100000188475 [0,1,0,0,0,0|2,0,1]=4 1124 B12R0.1 CCCSCCOCC(=O)OCC 34a_200000230433_100000188475 [0,1,0,0,0,0|2,0,1]=4 1125 B12R0.1 CCCSCCOCC(=O)OCC 62a_100000088970_100000210303 [0,1,0,0,0,0|2,0,1]=4 1126 B12R0.1 CCCSCCOCC(=O)OCC 62a_100000210303_100000088970 [0,1,0,0,0,0|2,0,1]=4 1127 B12R0.1 CCCSCCOCC(=O)OCC 7a_200000230433_100000188475 [0,1,0,0,0,0|2,0,1]=4 1128 B12R0.1 CCNCCCCCC(=O)OCC 2230a_100015525214_100000755133 [0,1,0,0,0,0|1,0,2]=4 1129 B12R0.1 CCNCCCOCC(=O)OCC 2230a_100015525214_100009893628 [0,1,0,0,0,0|2,0,1]=4 1130 B12R0.1 CCOC(=O)/C=C/CNCCCF 2230a_100015189416_100016267167 [0,1,0,0,0,0|2,0,0]=3 1131 B12R0.1 CCOC(=O)/C=C/CNCCCF 34a_100015189416_100016267167 [0,1,0,0,0,0|2,0,0]=3 1132 B12R0.1 CCOC(=O)/C=C/CNCCOC 2230a_100000209980_100016267167 [0,1,0,0,0,0|2,0,0]=3 1133 B12R0.1 CCOC(=O)/C=C/CNCCSC 2230a_100020590264_100016267167 [0,1,0,0,0,0|2,0,0]=3 1134 B12R0.1 CCOC(=O)/C=C/COCCCBr 34a_100011217188_100016267167 [0,1,0,0,0,0|2,0,0]=3 1135 B12R0.1 CCOC(=O)/C=C/COCCCCl 34a_100000230001_100016267167 [0,1,0,0,0,0|2,0,0]=3 1136 B12R0.1 CCOC(=O)/C=C/COCCCF 34a_100000759539_100016267167 [0,1,0,0,0,0|2,0,0]=3 1137 B12R0.1 CCOC(=O)/C=C/COCCCN 34a_100000182051_100016267167 [0,1,0,0,0,0|2,0,0]=3 1138 B12R0.1 CCOC(=O)/C=C/COCCOC 34a_100000210237_100016267167 [0,1,0,0,0,0|2,0,0]=3 1139 B12R0.1 CCOC(=O)/C=C/COCCON 34a_100000700252_100016267167 [0,1,0,0,0,0|3,0,0]=4 1140 B12R0.1 CCOC(=O)/C=C/COCCSC 34a_100000230434_100016267167 [0,1,0,0,0,0|2,0,0]=3 1141 B12R0.1 CCOC(=O)/C=C/COCCSC 7a_100000230434_100016267167 [0,1,0,0,0,0|2,0,0]=3 1142 B12R0.1 CCOC(=O)/C=C/CSCCC#N 62a_100011215226_100016267167 [0,1,0,0,0,0|2,0,1]=4 1143 B12R0.1 CCOC(=O)/C=C/CSCCC#N 62a_100016267167_100011215226 [0,1,0,0,0,0|2,0,1]=4 1144 B12R0.1 CCOC(=O)/C=C/CSCCCF 62a_100011934791_100016267167 [0,1,0,0,0,0|2,0,0]=3 1145 B12R0.1 CCOC(=O)/C=C/CSCCCF 62a_100016267167_100011934791 [0,1,0,0,0,0|2,0,0]=3 1146 B12R0.1 CCOC(=O)/C=C/CSCCCO 62a_100011215043_100016267167 [0,1,0,0,0,0|2,0,0]=3 1147 B12R0.1 CCOC(=O)/C=C/CSCCCO 62a_100016267167_100011215043 [0,1,0,0,0,0|2,0,0]=3 1148 B12R0.1 CCOC(=O)/C=C/CSCCOC 62a_100000233755_100016267167 [0,1,0,0,0,0|2,0,0]=3 1149 B12R0.1 CCOC(=O)/C=C/CSCCOC 62a_100016267167_100000233755 [0,1,0,0,0,0|2,0,0]=3 1150 B12R0.1 CCOC(=O)/C=C/CSCCSC 62a_100000212216_100016267167 [0,1,0,0,0,0|2,0,0]=3 1151 B12R0.1 CCOC(=O)/C=C/CSCCSC 62a_100016267167_100000751147 [0,1,0,0,0,0|2,0,0]=3 1152 B12R0.1 CCOC(=O)CCCCCCNC 2230a_106832991635_100009814379 [0,1,0,0,0,0|1,0,2]=4 1153 B12R0.1 CCOC(=O)CCCCCCNC 34a_100102657272_100009814379 [0,1,0,0,0,0|1,0,2]=4 1154 B12R0.1 CCOC(=O)CCCCCCNC 7a_106832991635_100009814379 [0,1,0,0,0,0|1,0,2]=4 1155 B12R0.1 CCOC(=O)CCCCCCOC 34a_100138415774_100009814379 [0,1,0,0,0,0|1,0,2]=4 1156 B12R0.1 CCOC(=O)CCCCCCSC 62a_200000210301_100009814379 [0,1,0,0,0,0|1,0,2]=4 1157 B12R0.1 CCOC(=O)CCCCCCS[13CH3] 62a_200025704644_100009814379 [0,1,0,0,0,0|1,0,2]=4 1158 B12R0.1 CCOC(=O)CCCCCSCC 62a_100000210202_100000755133 [0,1,0,0,0,0|1,0,2]=4 1159 B12R0.1 CCOC(=O)CCCCCSCC 62a_100000755133_100000210202 [0,1,0,0,0,0|1,0,2]=4 1160 B12R0.1 CCOC(=O)CNCCCCCO 2230a_100000762737_100000188475 [0,1,0,0,0,0|2,0,1]=4 1161 B12R0.1 CCOC(=O)CNCCCCCO 34a_100000762737_100000188475 [0,1,0,0,0,0|2,0,1]=4 1162 B12R0.1 CCOC(=O)COCCCCCBr 34a_100000746331_100000188475 [0,1,0,0,0,0|2,0,1]=4 1163 B12R0.1 CCOC(=O)COCCCCCBr 7a_100000746331_100000188475 [0,1,0,0,0,0|2,0,1]=4 1164 B12R0.1 CCOC(=O)COCCCCCCl 34a_100000746330_100000188475 [0,1,0,0,0,0|2,0,1]=4 1165 B12R0.1 CCOC(=O)COCCCCCCl 7a_100000746330_100000188475 [0,1,0,0,0,0|2,0,1]=4 1166 B12R0.1 CCOC(=O)COCCCCCI 34a_200012148887_100000188475 [0,1,0,0,0,0|2,0,1]=4 1167 B12R0.1 CCOC(=O)COCCCCCI 7a_200012148887_100000188475 [0,1,0,0,0,0|2,0,1]=4 1168 B12R0.1 CCOC(=O)COCCCCCN 34a_100000762737_100000188475 [0,1,0,0,0,0|2,0,1]=4 1169 B12R0.1 CCOC(=O)COCCCCOC 34a_100000740925_100000188475 [0,1,0,0,0,0|2,0,1]=4 1170 B12R0.1 CCOC(=O)COCCCCSC 34a_100011217163_100000188475 [0,1,0,0,0,0|2,0,1]=4 1171 B12R0.1 CCOC(=O)COCCCCSC 7a_100011217163_100000188475 [0,1,0,0,0,0|2,0,1]=4 1172 B12R0.1 CCOC(=O)COCCCSCC 34a_100011216438_100000188475 [0,1,0,0,0,0|2,0,1]=4 1173 B12R0.1 CCOC(=O)COCCCSCC 62a_100000210202_100009893628 [0,1,0,0,0,0|2,0,1]=4 1174 B12R0.1 CCOC(=O)COCCCSCC 62a_100009893628_100000210202 [0,1,0,0,0,0|2,0,1]=4 1175 B12R0.1 CCOC(=O)COCCCSCC 7a_100011216438_100000188475 [0,1,0,0,0,0|2,0,1]=4 1176 B12R0.1 CCOC(=O)CSCCCCCF 62a_100000188475_100000729378 [0,1,0,0,0,0|2,0,1]=4 1177 B12R0.1 CCOC(=O)CSCCCCCF 62a_100000729378_100000188475 [0,1,0,0,0,0|2,0,1]=4 1178 B12R0.1 CCOC(=O)CSCCCCCO 62a_100000188475_100000746330 [0,1,0,0,0,0|2,0,1]=4 1179 B12R0.1 CCOC(=O)CSCCCCCO 62a_100000746330_100000188475 [0,1,0,0,0,0|2,0,1]=4 1180 B12R0.1 CCOC(=O)CSCCCCOC 62a_100000188475_100000730899 [0,1,0,0,0,0|2,0,1]=4 1181 B12R0.1 CCOC(=O)CSCCCCOC 62a_100000730899_100000188475 [0,1,0,0,0,0|2,0,1]=4 1182 B12R0.1 CCOCCCCCC(=O)OCC 34a_100121572206_100000755133 [0,1,0,0,0,0|1,0,2]=4 1183 B12R0.1 CCOCCCCCC(=O)OCC 7a_100011214988_100000210202 [0,1,0,0,0,0|1,0,2]=4 1184 B12R0.1 CCOCCCNCC(=O)OCC 2230a_100000210961_100000188475 [0,1,0,0,0,0|2,0,1]=4 1185 B12R0.1 CCOCCCNCC(=O)OCC 34a_100000210961_100000188475 [0,1,0,0,0,0|2,0,1]=4 1186 B12R0.1 CCOCCCOCC(=O)OCC 34a_100000757476_100000188475 [0,1,0,0,0,0|2,0,1]=4 1187 B12R0.1 CCOCCCOCC(=O)OCC 34a_100121572206_100009893628 [0,1,0,0,0,0|2,0,1]=4 1188 B12R0.1 CCOCCCOCC(=O)OCC 7a_100000757476_100000188475 [0,1,0,0,0,0|2,0,1]=4 1189 B12R0.1 CCOCCCSCC(=O)OCC 62a_100000188475_100012232248 [0,1,0,0,0,0|2,0,1]=4 1190 B12R0.1 CCOCCCSCC(=O)OCC 62a_100012232248_100000188475 [0,1,0,0,0,0|2,0,1]=4 1191 B12R0.1 CCOCCNN=CC(=O)OCC 4a_100000732670_100000742314 [0,1,0,0,0,0|3,0,0]=4 1192 B12R0.1 CCOCSC/C=C/C(=O)OCC 62a_100000739092_100016267167 [0,1,0,0,0,0|2,0,0]=3 1193 B12R0.1 CCOCSC/C=C/C(=O)OCC 62a_100016267167_100000739092 [0,1,0,0,0,0|2,0,0]=3 1194 B12R0.1 COCC(=O)CCCCCCCO 1458a_100000210968_100000760002 [0,1,0,0,0,0|1,0,2]=4 1195 B12R0.1 COCC(=O)NCCCCCCO 240690a_100000686447_100000210968 [0,1,0,0,0,0|2,0,1]=4 1196 B12R0.1 COCC(=O)NCCCCCCO 527a_100000686447_100000210968 [0,1,0,0,0,0|2,0,1]=4 1197 B12R0.1 COCCCCCCC(=O)COC 1458a_100000210968_100011998445 [0,1,0,0,0,0|1,0,2]=4 1198 B12R0.1 COCCCCCNC(=O)COC 11a_100000747528_100000210968 [0,1,0,0,0,0|2,0,1]=4 1199 B12R0.1 COCCCCCNC(=O)COC 1626a_100000747528_100000210968 [0,1,0,0,0,0|2,0,1]=4 1200 B12R0.1 COCCCCCNC(=O)COC 240690a_100000747528_100000210968 [0,1,0,0,0,0|2,0,1]=4 1201 B12R0.1 COCCCCCNC(=O)COC 527a_100000747528_100000210968 [0,1,0,0,0,0|2,0,1]=4 1202 B12R0.49 C#CCCCCNC(=O)C(=O)OC 11a_100000706060_100000024059 [0,1,0,0,0,0|1,0,2]=4 1203 B12R0.49 C#CCCCCNC(=O)C(=O)OC 1626a_100000706060_100000024059 [0,1,0,0,0,0|1,0,2]=4 1204 B12R0.49 C#CCCCCNC(=O)C(=O)OC 240690a_100000706060_100000024059 [0,1,0,0,0,0|1,0,2]=4 1205 B12R0.49 C#CCCCCNC(=O)C(=O)OC 527a_100000706060_100000024059 [0,1,0,0,0,0|1,0,2]=4 1206 B12R0.49 C/C=C(\C)/C(=O)CCCCCCC 1458a_100020587367_100000210614 [0,1,0,0,0,0|2,0,1]=4 1207 B12R0.49 C/C=C(\C)/C(=O)NCCCCCC 11a_100000210581_100020587367 [0,1,0,0,0,0|3,0,0]=4 1208 B12R0.49 C/C=C(\C)/C(=O)NCCCCCC 1626a_100000210581_100020587367 [0,1,0,0,0,0|3,0,0]=4 1209 B12R0.49 C=C(CNCCCCO)C(=O)OC 34a_100000750430_100009813391 [0,1,0,0,0,0|2,0,1]=4 1210 B12R0.49 C=C(CNCCCOC)C(=O)OC 34a_100150723488_100009813391 [0,1,0,0,0,0|2,0,1]=4 1211 B12R0.49 C=C(CNCCOCC)C(=O)OC 34a_102516460346_100009813391 [0,1,0,0,0,0|2,0,1]=4 1212 B12R0.49 C=C(COCCCCBr)C(=O)OC 34a_100011216708_100009813391 [0,1,0,0,0,0|2,0,1]=4 1213 B12R0.49 C=C(COCCCCC)C(=O)OC 34a_100000210253_100009813391 [0,1,0,0,0,0|1,0,1]=3 1214 B12R0.49 C=C(COCCCCCl)C(=O)OC 34a_100000210776_100009813391 [0,1,0,0,0,0|2,0,1]=4 1215 B12R0.49 C=C(COCCCCF)C(=O)OC 34a_100011995726_100009813391 [0,1,0,0,0,0|2,0,1]=4 1216 B12R0.49 C=C(COCCCCI)C(=O)OC 34a_200012148704_100009813391 [0,1,0,0,0,0|2,0,1]=4 1217 B12R0.49 C=C(COCCCCN)C(=O)OC 34a_100000750430_100009813391 [0,1,0,0,0,0|2,0,1]=4 1218 B12R0.49 C=C(COCCCNC)C(=O)OC 34a_100000213112_100009813391 [0,1,0,0,0,0|2,0,1]=4 1219 B12R0.49 C=C(COCCCOC)C(=O)OC 34a_100000740835_100009813391 [0,1,0,0,0,0|2,0,1]=4 1220 B12R0.49 C=C(COCCCSC)C(=O)OC 34a_100000690336_100009813391 [0,1,0,0,0,0|2,0,1]=4 1221 B12R0.49 C=C(COCCOCC)C(=O)OC 34a_100000210136_100009813391 [0,1,0,0,0,0|2,0,1]=4 1222 B12R0.49 C=C(COCCSCC)C(=O)OC 34a_100000212035_100009813391 [0,1,0,0,0,0|2,0,1]=4 1223 B12R0.49 C=C(CSCCCCC)C(=O)OC 62a_100000210326_100009813391 [0,1,0,0,0,0|1,0,1]=3 1224 B12R0.49 C=C(CSCCCCC)C(=O)OC 62a_100009813391_100000210326 [0,1,0,0,0,0|1,0,1]=3 1225 B12R0.49 C=C(CSCCCCF)C(=O)OC 62a_100000729493_100009813391 [0,1,0,0,0,0|2,0,1]=4 1226 B12R0.49 C=C(CSCCCCF)C(=O)OC 62a_100009813391_100000729493 [0,1,0,0,0,0|2,0,1]=4 1227 B12R0.49 C=C(CSCCCCO)C(=O)OC 62a_100000210776_100009813391 [0,1,0,0,0,0|2,0,1]=4 1228 B12R0.49 C=C(CSCCCCO)C(=O)OC 62a_100009813391_100000210776 [0,1,0,0,0,0|2,0,1]=4 1229 B12R0.49 C=C(CSCCCOC)C(=O)OC 62a_100000709357_100009813391 [0,1,0,0,0,0|2,0,1]=4 1230 B12R0.49 C=C(CSCCCOC)C(=O)OC 62a_100009813391_100000709357 [0,1,0,0,0,0|2,0,1]=4 1231 B12R0.49 C=C(CSCCOCC)C(=O)OC 62a_100000210147_100009813391 [0,1,0,0,0,0|2,0,1]=4 1232 B12R0.49 C=C(CSCCOCC)C(=O)OC 62a_100009813391_100011215890 [0,1,0,0,0,0|2,0,1]=4 1233 B12R0.49 C=C(CSCCSCC)C(=O)OC 62a_100000757381_100009813391 [0,1,0,0,0,0|2,0,1]=4 1234 B12R0.49 C=C(CSCCSCC)C(=O)OC 62a_100009813391_100000757381 [0,1,0,0,0,0|2,0,1]=4 1235 B12R0.49 C=CCCCCNC(=O)C(=O)OC 11a_100000703577_100000024059 [0,1,0,0,0,0|1,0,2]=4 1236 B12R0.49 C=CCCCCNC(=O)C(=O)OC 1626a_100000703577_100000024059 [0,1,0,0,0,0|1,0,2]=4 1237 B12R0.49 C=CCCCCNC(=O)C(=O)OC 240690a_100000703577_100000024059 [0,1,0,0,0,0|1,0,2]=4 1238 B12R0.49 C=CCCCCNC(=O)C(=O)OC 527a_100000703577_100000024059 [0,1,0,0,0,0|1,0,2]=4 1239 B12R0.49 CCCCCCCC(=O)C(=O)NC 1458a_100011218921_100000210614 [0,1,0,0,0,0|1,0,1]=3 1240 B12R0.49 CCCCCCCC(=O)C(C)OC 1458a_100000743197_100000210614 [0,1,0,0,0,0|1,0,2]=4 1241 B12R0.49 CCCCCCCC(C)C(=O)CC 1458a_100000210414_200011218727 [0,1,0,0,0,0|1,0,2]=4 1242 B12R0.49 CCCCCCCN(C)C(=O)CC 11a_100000228206_100000210414 [0,1,0,0,0,0|2,0,1]=4 1243 B12R0.49 CCCCCCCN(C)C(=O)CC 1626a_100000228206_100000210414 [0,1,0,0,0,0|2,0,1]=4 1244 B12R0.49 CCCCCCCN(C)C(=O)CC 240690a_100000228206_100000210414 [0,1,0,0,0,0|2,0,1]=4 1245 B12R0.49 CCCCCCCN(C)C(=O)CC 527a_100000228206_100000210414 [0,1,0,0,0,0|2,0,1]=4 1246 B12R0.49 CCCCCCCN(C)C(=O)NC 2708a_100102657272_100000228206 [0,1,0,0,0,0|2,0,1]=4 1247 B12R0.49 CCCCCCCN(C)C(=O)NC 273464a_100102657272_100000228206 [0,1,0,0,0,0|2,0,1]=4 1248 B12R0.49 CCCCCCNC(=O)C(=O)NC 1626a_100000210581_100011218921 [0,1,0,0,0,0|2,0,0]=3 1249 B12R0.49 CCCCCCNC(=O)C(=O)NC 240690a_100000210581_100011218921 [0,1,0,0,0,0|2,0,0]=3 1250 B12R0.49 CCCCCCNC(=O)C(=O)NC 527a_100000210581_100011218921 [0,1,0,0,0,0|2,0,0]=3 1251 B12R0.49 CCCCCCNC(=O)C(=O)OC 11a_100000210581_100000024059 [0,1,0,0,0,0|1,0,0]=2 1252 B12R0.49 CCCCCCNC(=O)C(=O)OC 1626a_100000210581_100000024059 [0,1,0,0,0,0|1,0,0]=2 1253 B12R0.49 CCCCCCNC(=O)C(=O)OC 240690a_100000210581_100000024059 [0,1,0,0,0,0|1,0,0]=2 1254 B12R0.49 CCCCCCNC(=O)C(=O)OC 527a_100000210581_100000024059 [0,1,0,0,0,0|1,0,0]=2 1255 B12R0.49 CCCCCCNC(=O)C(C)OC 11a_100000210581_100000743197 [0,1,0,0,0,0|2,0,1]=4 1256 B12R0.49 CCCCCCNC(=O)C(C)OC 1626a_100000210581_100000743197 [0,1,0,0,0,0|2,0,1]=4 1257 B12R0.49 CCCCCCNC(=O)C(C)OC 240690a_100000210581_100000743197 [0,1,0,0,0,0|2,0,1]=4 1258 B12R0.49 CCCCCCNC(=O)C(C)OC 527a_100000210581_100000743197 [0,1,0,0,0,0|2,0,1]=4 1259 B12R0.49 CCCCCCNC(C)C(=O)CC 2230a_100000210581_100000742827 [0,1,0,0,0,0|2,0,1]=4 1260 B12R0.49 CCCCCCNC(C)C(=O)NC 2230a_100000210581_100000731044 [0,1,0,0,0,0|2,0,1]=4 1261 B12R0.49 CCCCCCNC(C)C(=O)OC 2230a_100000210581_100000211248 [0,1,0,0,0,0|1,0,1]=3 1262 B12R0.49 CCCCCCNC(F)C(=O)NC 2230a_100000210581_100009813575 [0,1,0,0,0,0|2,0,1]=4 1263 B12R0.49 CCCCCCN[C@H](C)C(=O)NC 2230a_100000684985_100000210314 [0,1,0,0,0,0|2,0,1]=4 1264 B12R0.49 CCCCCCN[C@H](C)C(=O)NC 34a_100000684985_100000210314 [0,1,0,0,0,0|2,0,1]=4 1265 B12R0.49 CCCCCCOC(C)C(=O)CC 7a_100000210259_100000742827 [0,1,0,0,0,0|2,0,1]=4 1266 B12R0.49 CCCCCCOC(C)C(=O)NC 34a_100000210259_100000731044 [0,1,0,0,0,0|2,0,1]=4 1267 B12R0.49 CCCCCCOC(C)C(=O)NC 7a_100000210259_100000209862 [0,1,0,0,0,0|2,0,1]=4 1268 B12R0.49 CCCCCCOC(C)C(=O)OC 34a_100000210259_100000211248 [0,1,0,0,0,0|1,0,1]=3 1269 B12R0.49 CCCCCCOC(C)C(=O)OC 34a_100011215400_100000210314 [0,1,0,0,0,0|1,0,1]=3 1270 B12R0.49 CCCCCCOC(C)C(=O)OC 7a_100000210259_100000211248 [0,1,0,0,0,0|1,0,1]=3 1271 B12R0.49 CCCCCCOC(F)C(=O)NC 34a_100000210259_100009813575 [0,1,0,0,0,0|2,0,1]=4 1272 B12R0.49 CCCCCCOC(F)C(=O)NC 7a_100000210259_100009813575 [0,1,0,0,0,0|2,0,1]=4 1273 B12R0.49 CCCCCCSC(C)C(=O)CC 62a_100000210314_100000742827 [0,1,0,0,0,0|2,0,1]=4 1274 B12R0.49 CCCCCCSC(C)C(=O)CC 62a_100000742827_100000210757 [0,1,0,0,0,0|2,0,1]=4 1275 B12R0.49 CCCCCCSC(C)C(=O)NC 62a_100000209862_100000210757 [0,1,0,0,0,0|2,0,1]=4 1276 B12R0.49 CCCCCCSC(C)C(=O)NC 62a_100000210314_100000731044 [0,1,0,0,0,0|2,0,1]=4 1277 B12R0.49 CCCCCCSC(C)C(=O)OC 62a_100000210314_100000211248 [0,1,0,0,0,0|1,0,1]=3 1278 B12R0.49 CCCCCCSC(C)C(=O)OC 62a_100000211248_100000210757 [0,1,0,0,0,0|1,0,1]=3 1279 B12R0.49 CCCCCCSC(F)C(=O)NC 62a_100000210314_100009813575 [0,1,0,0,0,0|2,0,1]=4 1280 B12R0.49 CCCCCCSC(F)C(=O)NC 62a_100009813575_100000210757 [0,1,0,0,0,0|2,0,1]=4 1281 B12R0.49 CCCCCNN=C(C)C(=O)OC 4a_100000694160_100000211753 [0,1,0,0,0,0|2,0,0]=3 1282 B12R0.49 CCCCCNNC(=O)C(=O)NC 22a_100000694160_100011218921 [0,1,0,0,0,0|3,0,0]=4 1283 B12R0.49 CCCCCOCC(=O)C(=O)OC 34a_100000210253_100011610305 [0,1,0,0,0,0|1,0,1]=3 1284 B12R0.49 CCCCCOCC(C)C(=O)OC 34a_100000210253_100000698445 [0,1,0,0,0,0|1,0,2]=4 1285 B12R0.49 CCCCCOCC(C)C(=O)OC 34a_100000749362_100000718602 [0,1,0,0,0,0|1,0,2]=4 1286 B12R0.49 CCCCCOCC(C)C(=O)OC 7a_100000749362_100000210326 [0,1,0,0,0,0|1,0,2]=4 1287 B12R0.49 CCCCCOCC(F)C(=O)OC 34a_200009849844_100000718602 [0,1,0,0,0,0|1,0,2]=4 1288 B12R0.49 CCCCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000718602 [0,1,0,0,0,0|1,0,2]=4 1289 B12R0.49 CCCCCSCC(=O)C(=O)OC 62a_100000210326_100011610305 [0,1,0,0,0,0|1,0,1]=3 1290 B12R0.49 CCCCCSCC(=O)C(=O)OC 62a_100011610305_100000210326 [0,1,0,0,0,0|1,0,1]=3 1291 B12R0.49 CCCCCSCC(C)C(=O)OC 62a_100000210326_100000698445 [0,1,0,0,0,0|1,0,2]=4 1292 B12R0.49 CCCCCSCC(C)C(=O)OC 62a_100000698445_100000210326 [0,1,0,0,0,0|1,0,2]=4 1293 B12R0.49 CCCCNCCC(C)C(=O)OC 2230a_100000102301_100000034942 [0,1,0,0,0,0|1,0,2]=4 1294 B12R0.49 CCCCNCCC(C)C(=O)OC 7a_106832991798_100000034942 [0,1,0,0,0,0|1,0,2]=4 1295 B12R0.49 CCCCOCCC(=O)C(=O)NC 1458a_100011218921_100000743108 [0,1,0,0,0,0|2,0,1]=4 1296 B12R0.49 CCCCOCCC(C)C(=O)OC 34a_100000210227_100000034942 [0,1,0,0,0,0|1,0,2]=4 1297 B12R0.49 CCCCOCCC(C)C(=O)OC 7a_100000210227_100000034942 [0,1,0,0,0,0|1,0,2]=4 1298 B12R0.49 CCCCOCOC(C)C(=O)OC 34a_100011215400_100011995733 [0,1,0,0,0,0|2,0,1]=4 1299 B12R0.49 CCCCOCSC(C)C(=O)OC 62a_100000211248_100011995733 [0,1,0,0,0,0|2,0,1]=4 1300 B12R0.49 CCCCOCSC(C)C(=O)OC 62a_100011995733_100000211248 [0,1,0,0,0,0|2,0,1]=4 1301 B12R0.49 CCCCSCCC(C)C(=O)OC 62a_100000034942_100000210210 [0,1,0,0,0,0|1,0,2]=4 1302 B12R0.49 CCCCSCCC(C)C(=O)OC 62a_100000210211_100000034942 [0,1,0,0,0,0|1,0,2]=4 1303 B12R0.49 CCCOCCNC(=O)C(=O)NC 1626a_100161115042_100011218921 [0,1,0,0,0,0|3,0,0]=4 1304 B12R0.49 CCCOCCNC(=O)C(=O)NC 240690a_100161115042_100011218921 [0,1,0,0,0,0|3,0,0]=4 1305 B12R0.49 CCCOCCNC(=O)C(=O)NC 527a_100161115042_100011218921 [0,1,0,0,0,0|3,0,0]=4 1306 B12R0.49 CCCOCCNC(=O)C(=O)OC 1626a_100161115042_100000024059 [0,1,0,0,0,0|2,0,0]=3 1307 B12R0.49 CCCOCCNC(=O)C(=O)OC 240690a_100161115042_100000024059 [0,1,0,0,0,0|2,0,0]=3 1308 B12R0.49 CCCOCCNC(=O)C(=O)OC 527a_100161115042_100000024059 [0,1,0,0,0,0|2,0,0]=3 1309 B12R0.49 CCCOCCNC(C)C(=O)OC 2230a_100161115042_100000211248 [0,1,0,0,0,0|2,0,1]=4 1310 B12R0.49 CCCOCCNC(C)C(=O)OC 34a_100161115042_100000211248 [0,1,0,0,0,0|2,0,1]=4 1311 B12R0.49 CCCOCCOC(C)C(=O)OC 34a_100000752267_100000211248 [0,1,0,0,0,0|2,0,1]=4 1312 B12R0.49 CCCOCCOC(C)C(=O)OC 34a_100011215400_100011215938 [0,1,0,0,0,0|2,0,1]=4 1313 B12R0.49 CCCOCCOC(C)C(=O)OC 7a_100000752267_100000211248 [0,1,0,0,0,0|2,0,1]=4 1314 B12R0.49 CCCOCCSC(C)C(=O)OC 62a_100000211248_100011215938 [0,1,0,0,0,0|2,0,1]=4 1315 B12R0.49 CCCOCCSC(C)C(=O)OC 62a_100011215938_100000211248 [0,1,0,0,0,0|2,0,1]=4 1316 B12R0.49 CCCSCCNC(=O)C(=O)NC 240690a_100020603323_100011218921 [0,1,0,0,0,0|3,0,0]=4 1317 B12R0.49 CCCSCCNC(=O)C(=O)NC 527a_100020603323_100011218921 [0,1,0,0,0,0|3,0,0]=4 1318 B12R0.49 CCCSCCNC(=O)C(=O)OC 11a_100020603323_100000024059 [0,1,0,0,0,0|2,0,0]=3 1319 B12R0.49 CCCSCCNC(=O)C(=O)OC 240690a_100020603323_100000024059 [0,1,0,0,0,0|2,0,0]=3 1320 B12R0.49 CCCSCCNC(=O)C(=O)OC 527a_100020603323_100000024059 [0,1,0,0,0,0|2,0,0]=3 1321 B12R0.49 CCCSCCNC(C)C(=O)OC 2230a_100020603323_100000211248 [0,1,0,0,0,0|2,0,1]=4 1322 B12R0.49 CCCSCCOC(C)C(=O)OC 34a_200000230433_100000211248 [0,1,0,0,0,0|2,0,1]=4 1323 B12R0.49 CCCSCCOC(C)C(=O)OC 7a_200000230433_100000211248 [0,1,0,0,0,0|2,0,1]=4 1324 B12R0.49 CCOCCCNC(=O)C(=O)NC 1626a_100000210961_100011218921 [0,1,0,0,0,0|3,0,0]=4 1325 B12R0.49 CCOCCCNC(=O)C(=O)NC 240690a_100000210961_100011218921 [0,1,0,0,0,0|3,0,0]=4 1326 B12R0.49 CCOCCCNC(=O)C(=O)NC 527a_100000210961_100011218921 [0,1,0,0,0,0|3,0,0]=4 1327 B12R0.49 CCOCCCNC(=O)C(=O)OC 11a_100000210961_100000024059 [0,1,0,0,0,0|2,0,0]=3 1328 B12R0.49 CCOCCCNC(=O)C(=O)OC 1626a_100000210961_100000024059 [0,1,0,0,0,0|2,0,0]=3 1329 B12R0.49 CCOCCCNC(=O)C(=O)OC 240690a_100000210961_100000024059 [0,1,0,0,0,0|2,0,0]=3 1330 B12R0.49 CCOCCCNC(=O)C(=O)OC 527a_100000210961_100000024059 [0,1,0,0,0,0|2,0,0]=3 1331 B12R0.49 CCOCCCNC(C)C(=O)OC 2230a_100000210961_100000211248 [0,1,0,0,0,0|2,0,1]=4 1332 B12R0.49 CCOCCCNC(C)C(=O)OC 34a_100000210961_100000211248 [0,1,0,0,0,0|2,0,1]=4 1333 B12R0.49 CCOCCCOC(C)C(=O)OC 34a_100000757476_100000211248 [0,1,0,0,0,0|2,0,1]=4 1334 B12R0.49 CCOCCCOC(C)C(=O)OC 34a_100011215400_100012232248 [0,1,0,0,0,0|2,0,1]=4 1335 B12R0.49 CCOCCCOC(C)C(=O)OC 7a_100000757476_100000211248 [0,1,0,0,0,0|2,0,1]=4 1336 B12R0.49 CCOCCCSC(C)C(=O)OC 62a_100000211248_100012232248 [0,1,0,0,0,0|2,0,1]=4 1337 B12R0.49 CCOCCCSC(C)C(=O)OC 62a_100012232248_100000211248 [0,1,0,0,0,0|2,0,1]=4 1338 B12R0.49 CCOCCNCC(=O)C(=O)OC 34a_102516460346_100011610305 [0,1,0,0,0,0|2,0,1]=4 1339 B12R0.49 CCOCCNN=C(C)C(=O)OC 4a_100000732670_100000211753 [0,1,0,0,0,0|3,0,0]=4 1340 B12R0.49 CCOCCOCC(=O)C(=O)OC 34a_100000210136_100011610305 [0,1,0,0,0,0|2,0,1]=4 1341 B12R0.49 CCOCCSCC(=O)C(=O)OC 62a_100000210147_100011610305 [0,1,0,0,0,0|2,0,1]=4 1342 B12R0.49 CCOCCSCC(=O)C(=O)OC 62a_100011610305_100011215890 [0,1,0,0,0,0|2,0,1]=4 1343 B12R0.49 CCSCCCOC(C)C(=O)OC 34a_100011216438_100000211248 [0,1,0,0,0,0|2,0,1]=4 1344 B12R0.49 CCSCCCOC(C)C(=O)OC 7a_100011216438_100000211248 [0,1,0,0,0,0|2,0,1]=4 1345 B12R0.49 CCSCCOCC(=O)C(=O)OC 34a_100000212035_100011610305 [0,1,0,0,0,0|2,0,1]=4 1346 B12R0.49 CCSCCSCC(=O)C(=O)OC 62a_100000757381_100011610305 [0,1,0,0,0,0|2,0,1]=4 1347 B12R0.49 CCSCCSCC(=O)C(=O)OC 62a_100011610305_100000757381 [0,1,0,0,0,0|2,0,1]=4 1348 B12R0.49 CNC(=O)C(=O)CCCCCCF 1458a_100011218921_100015922095 [0,1,0,0,0,0|2,0,1]=4 1349 B12R0.49 CNC(=O)C(=O)CCCCCCO 1458a_100011218921_100000766143 [0,1,0,0,0,0|2,0,1]=4 1350 B12R0.49 CNC(=O)C(=O)NCCCCCO 240690a_100000762737_100011218921 [0,1,0,0,0,0|3,0,0]=4 1351 B12R0.49 CNCCCOCC(=O)C(=O)OC 34a_100000213112_100011610305 [0,1,0,0,0,0|2,0,1]=4 1352 B12R0.49 COC(=O)C(=O)CNCCCCO 34a_100000750430_100011610305 [0,1,0,0,0,0|2,0,1]=4 1353 B12R0.49 COC(=O)C(=O)COCCCCBr 34a_100011216708_100011610305 [0,1,0,0,0,0|2,0,1]=4 1354 B12R0.49 COC(=O)C(=O)COCCCCCl 34a_100000210776_100011610305 [0,1,0,0,0,0|2,0,1]=4 1355 B12R0.49 COC(=O)C(=O)COCCCCF 34a_100011995726_100011610305 [0,1,0,0,0,0|2,0,1]=4 1356 B12R0.49 COC(=O)C(=O)COCCCCI 34a_200012148704_100011610305 [0,1,0,0,0,0|2,0,1]=4 1357 B12R0.49 COC(=O)C(=O)COCCCCN 34a_100000750430_100011610305 [0,1,0,0,0,0|2,0,1]=4 1358 B12R0.49 COC(=O)C(=O)COCCCSC 34a_100000690336_100011610305 [0,1,0,0,0,0|2,0,1]=4 1359 B12R0.49 COC(=O)C(=O)CSCCCCF 62a_100000729493_100011610305 [0,1,0,0,0,0|2,0,1]=4 1360 B12R0.49 COC(=O)C(=O)CSCCCCF 62a_100011610305_100000729493 [0,1,0,0,0,0|2,0,1]=4 1361 B12R0.49 COC(=O)C(=O)CSCCCCO 62a_100000210776_100011610305 [0,1,0,0,0,0|2,0,1]=4 1362 B12R0.49 COC(=O)C(=O)CSCCCCO 62a_100011610305_100000210776 [0,1,0,0,0,0|2,0,1]=4 1363 B12R0.49 COC(=O)C(=O)NCCCCC#N 11a_100000751965_100000024059 [0,1,0,0,0,0|2,0,1]=4 1364 B12R0.49 COC(=O)C(=O)NCCCCC#N 1626a_100000751965_100000024059 [0,1,0,0,0,0|2,0,1]=4 1365 B12R0.49 COC(=O)C(=O)NCCCCC#N 240690a_100000751965_100000024059 [0,1,0,0,0,0|2,0,1]=4 1366 B12R0.49 COC(=O)C(=O)NCCCCC#N 527a_100000751965_100000024059 [0,1,0,0,0,0|2,0,1]=4 1367 B12R0.49 COC(=O)C(=O)NCCCCCO 240690a_100000762737_100000024059 [0,1,0,0,0,0|2,0,0]=3 1368 B12R0.49 COC(=O)C(=O)NCCOCCO 240690a_100000211614_100000024059 [0,1,0,0,0,0|3,0,0]=4 1369 B12R0.49 COC(=O)C(=O)NCCSCCO 240690a_100011219999_100000024059 [0,1,0,0,0,0|3,0,0]=4 1370 B12R0.49 COC(=O)C(=O)NCCSCCO 527a_100011219999_100000024059 [0,1,0,0,0,0|3,0,0]=4 1371 B12R0.49 COC(=O)C(C)NCCCCCO 2230a_100000762737_100000211248 [0,1,0,0,0,0|2,0,1]=4 1372 B12R0.49 COC(=O)C(C)NCCCCCO 34a_100000762737_100000211248 [0,1,0,0,0,0|2,0,1]=4 1373 B12R0.49 COC(=O)C(C)OCCCCCBr 34a_100000746331_100000211248 [0,1,0,0,0,0|2,0,1]=4 1374 B12R0.49 COC(=O)C(C)OCCCCCBr 7a_100000746331_100000211248 [0,1,0,0,0,0|2,0,1]=4 1375 B12R0.49 COC(=O)C(C)OCCCCCCl 34a_100000746330_100000211248 [0,1,0,0,0,0|2,0,1]=4 1376 B12R0.49 COC(=O)C(C)OCCCCCCl 7a_100000746330_100000211248 [0,1,0,0,0,0|2,0,1]=4 1377 B12R0.49 COC(=O)C(C)OCCCCCF 34a_100011215400_100000729378 [0,1,0,0,0,0|2,0,1]=4 1378 B12R0.49 COC(=O)C(C)OCCCCCI 34a_200012148887_100000211248 [0,1,0,0,0,0|2,0,1]=4 1379 B12R0.49 COC(=O)C(C)OCCCCCI 7a_200012148887_100000211248 [0,1,0,0,0,0|2,0,1]=4 1380 B12R0.49 COC(=O)C(C)OCCCCCN 34a_100000762737_100000211248 [0,1,0,0,0,0|2,0,1]=4 1381 B12R0.49 COC(=O)C(C)OCCCCCO 34a_100011215400_100000746330 [0,1,0,0,0,0|2,0,1]=4 1382 B12R0.49 COC(=O)C(C)OCCCCSC 34a_100011217163_100000211248 [0,1,0,0,0,0|2,0,1]=4 1383 B12R0.49 COC(=O)C(C)OCCCCSC 7a_100011217163_100000211248 [0,1,0,0,0,0|2,0,1]=4 1384 B12R0.49 COC(=O)C(C)SCCCCCF 62a_100000211248_100000729378 [0,1,0,0,0,0|2,0,1]=4 1385 B12R0.49 COC(=O)C(C)SCCCCCF 62a_100000729378_100000211248 [0,1,0,0,0,0|2,0,1]=4 1386 B12R0.49 COC(=O)C(C)SCCCCCO 62a_100000211248_100000746330 [0,1,0,0,0,0|2,0,1]=4 1387 B12R0.49 COC(=O)C(C)SCCCCCO 62a_100000746330_100000211248 [0,1,0,0,0,0|2,0,1]=4 1388 B12R0.49 COCCCCOC(C)C(=O)OC 34a_100000740925_100000211248 [0,1,0,0,0,0|2,0,1]=4 1389 B12R0.49 COCCCCOC(C)C(=O)OC 34a_100011215400_100000755781 [0,1,0,0,0,0|2,0,1]=4 1390 B12R0.49 COCCCCSC(C)C(=O)OC 62a_100000211248_100000730899 [0,1,0,0,0,0|2,0,1]=4 1391 B12R0.49 COCCCCSC(C)C(=O)OC 62a_100000730899_100000211248 [0,1,0,0,0,0|2,0,1]=4 1392 B12R0.49 COCCCNCC(=O)C(=O)OC 34a_100150723488_100011610305 [0,1,0,0,0,0|2,0,1]=4 1393 B12R0.49 COCCCOCC(=O)C(=O)OC 34a_100000740835_100011610305 [0,1,0,0,0,0|2,0,1]=4 1394 B12R0.49 COCCCSCC(=O)C(=O)OC 62a_100000709357_100011610305 [0,1,0,0,0,0|2,0,1]=4 1395 B12R0.49 COCCCSCC(=O)C(=O)OC 62a_100011610305_100000709357 [0,1,0,0,0,0|2,0,1]=4 1396 B12R0.102 C=CCCN(C)C/C=C/C(=O)OC 2230a_100020639649_100000742655 [0,1,0,0,0,0|1,0,2]=4 1397 B12R0.102 C=CCCN(C)C/C=C/C(=O)OC 269982a_100020639649_100000742655 [0,1,0,0,0,0|1,0,2]=4 1398 B12R0.102 CCCCC(=O)CCCC(=O)OC 1458a_100000210183_100011218270 [0,1,0,0,0,0|0,0,3]=4 1399 B12R0.102 CCCCC(=O)CCCC(=O)OC 1458a_100000239890_100000210211 [0,1,0,0,0,0|0,0,3]=4 1400 B12R0.102 CCCCC(=O)CSCC(=O)OC 1458a_100000191316_100000210211 [0,1,0,0,0,0|1,0,2]=4 1401 B12R0.102 CCCCC(=O)NN=CC(=O)OC 4a_100000189769_200011823558 [0,1,0,0,0,0|2,0,1]=4 1402 B12R0.102 CCCCC(C)COCC(=O)CC 7a_100011995851_100000747405 [0,1,0,0,0,0|2,0,1]=4 1403 B12R0.102 CCCCC(C)COCC(=O)NC 34a_100011995851_100000183359 [0,1,0,0,0,0|2,0,1]=4 1404 B12R0.102 CCCCC(C)COCC(=O)NC 7a_100011995851_100000183359 [0,1,0,0,0,0|2,0,1]=4 1405 B12R0.102 CCCCC(C)COCC(=O)OC 34a_100011995851_100000747449 [0,1,0,0,0,0|1,0,1]=3 1406 B12R0.102 CCCCC(C)COCC(=O)OC 7a_100011995851_100000747449 [0,1,0,0,0,0|1,0,1]=3 1407 B12R0.102 CCCCC(C)NCCC(=O)OC 2230a_100000126638_100000204255 [0,1,0,0,0,0|1,0,2]=4 1408 B12R0.102 CCCCC(C)OCCC(=O)OC 34a_100000687866_100000742370 [0,1,0,0,0,0|1,0,2]=4 1409 B12R0.102 CCCCC(C)OCCC(=O)OC 7a_100000687866_100000204255 [0,1,0,0,0,0|1,0,2]=4 1410 B12R0.102 CCCCC(C)SCCC(=O)OC 62a_100000204255_200011215066 [0,1,0,0,0,0|1,0,2]=4 1411 B12R0.102 CCCCC(C)SCCC(=O)OC 62a_200011215066_100000204255 [0,1,0,0,0,0|1,0,2]=4 1412 B12R0.102 CCCCC(C)SCOC(=O)OC 62a_200011215066_100000139417 [0,1,0,0,0,0|2,0,1]=4 1413 B12R0.102 CCCCN(C)C/C=C/C(=O)OC 2230a_100000207549_100000742655 [0,1,0,0,0,0|1,0,0]=2 1414 B12R0.102 CCCCN(C)C/C=C/C(=O)OC 269982a_100000207549_100000742655 [0,1,0,0,0,0|1,0,0]=2 1415 B12R0.102 CCCCN(C)CCCC(=O)OC 2230a_100000207549_100011218270 [0,1,0,0,0,0|1,0,2]=4 1416 B12R0.102 CCCCN(C)CCCC(=O)OC 269982a_100000207549_100011218270 [0,1,0,0,0,0|1,0,2]=4 1417 B12R0.102 CCCCN(C)CCCC(=O)OC 269982a_100000739225_100000210211 [0,1,0,0,0,0|1,0,2]=4 1418 B12R0.102 CCCC[C@H](N)COCC(=O)NC 34a_100011934283_100000183359 [0,1,0,0,0,0|2,0,1]=4 1419 B12R0.102 CCCC[C@H](N)COCC(=O)OC 34a_100011934283_100000747449 [0,1,0,0,0,0|1,0,1]=3 1420 B12R0.102 CCCOC(C)CNCC(=O)OC 2230a_100015185124_100000747449 [0,1,0,0,0,0|2,0,1]=4 1421 B12R0.102 CCCOC(C)CNCC(=O)OC 34a_100015185124_100000747449 [0,1,0,0,0,0|2,0,1]=4 1422 B12R0.102 CCOCC(O)CNCC(=O)OC 2230a_102515437182_100000747449 [0,1,0,0,0,0|2,0,1]=4 1423 B12R0.102 CCOCC(O)CNCC(=O)OC 34a_102515437182_100000747449 [0,1,0,0,0,0|2,0,1]=4 1424 B12R0.102 COC(=O)/C=C/CN(C)CCC#N 2230a_100000184479_100000742655 [0,1,0,0,0,0|2,0,1]=4 1425 B12R0.102 COC(=O)/C=C/CN(C)CCCO 2230a_100000213112_100000742655 [0,1,0,0,0,0|2,0,0]=3 1426 B12R0.102 COC(=O)/C=C/CN(C)CCCO 269982a_100000213112_100000742655 [0,1,0,0,0,0|2,0,0]=3 1427 B12R0.102 COC(=O)/C=C/CN(C)CCSC 2230a_100000686725_100000742655 [0,1,0,0,0,0|2,0,0]=3 1428 B12R0.102 COC(=O)/C=C/CN(C)CCSC 269982a_100000686725_100000742655 [0,1,0,0,0,0|2,0,0]=3 1429 B12R0.102 COC(=O)CNC[C@H](C)CCCO 2230a_100160569302_100000747449 [0,1,0,0,0,0|2,0,1]=4 1430 B12R0.102 COC(=O)CNC[C@H](C)CCCO 34a_100160569302_100000747449 [0,1,0,0,0,0|2,0,1]=4 1431 B12R0.102 COC(=O)COC[C@@H](N)CCSC 34a_100011827619_100000747449 [0,1,0,0,0,0|2,0,1]=4 1432 B12R0.102 COCCN(C)C/C=C/C(=O)OC 2230a_100000743101_100000742655 [0,1,0,0,0,0|2,0,0]=3 1433 B12R0.102 COCCN(C)C/C=C/C(=O)OC 269982a_100000743101_100000742655 [0,1,0,0,0,0|2,0,0]=3 1434 B12R0.113 C#CCCCCC(=O)CC(=O)OC 1458a_100000211351_100010269958 [0,1,0,0,0,0|0,0,3]=4 1435 B12R0.113 C#CCCCCC(=O)CC(=O)OC 1458a_100000696528_100000747449 [0,1,0,0,0,0|0,0,3]=4 1436 B12R0.113 C=CCCCCC(=O)CC(=O)OC 1458a_100000211351_100011215482 [0,1,0,0,0,0|0,0,3]=4 1437 B12R0.113 C=CCCCCC(=O)CC(=O)OC 1458a_100011215552_100000747449 [0,1,0,0,0,0|0,0,3]=4 1438 B12R0.113 CC/C=C\CCC(=O)CC(=O)OC 1458a_100000211351_100015370543 [0,1,0,0,0,0|0,0,3]=4 1439 B12R0.113 CCC(=CC(=O)CCCCCF)C 1458a_100020758463_100000729378 [0,1,0,0,0,0|3,0,0]=4 1440 B12R0.113 CCC(=CC(=O)CCCCCO)C 1458a_100020758463_100000746330 [0,1,0,0,0,0|3,0,0]=4 1441 B12R0.113 CCC(=CC(=O)CCCCOC)C 1458a_100020758463_100000755781 [0,1,0,0,0,0|3,0,0]=4 1442 B12R0.113 CCC(=O)CC(=O)CCCCCO 1458a_100102619762_100000747405 [0,1,0,0,0,0|2,0,1]=4 1443 B12R0.113 CCC/C=C/CC(=O)CC(=O)OC 1458a_200016266809_100000747449 [0,1,0,0,0,0|0,0,3]=4 1444 B12R0.113 CCCCC=CC(=O)CC(=O)OC 1458a_100016266645_100000747449 [0,1,0,0,0,0|0,0,3]=4 1445 B12R0.113 CCCCCCC(=O)C=C(C)CC 1458a_100020758463_100000210757 [0,1,0,0,0,0|2,0,0]=3 1446 B12R0.113 CCCCCCC(=O)CC(=O)CC 1458a_100102632555_100000747405 [0,1,0,0,0,0|1,0,1]=3 1447 B12R0.113 CCCCCCC(=O)CC(=O)NC 1458a_100102632555_100000183359 [0,1,0,0,0,0|1,0,1]=3 1448 B12R0.113 CCCCCCC(=O)CC(=O)OC 1458a_100000211351_100000210757 [0,1,0,0,0,0|0,0,1]=2 1449 B12R0.113 CCCCCCC(=O)CC(=O)OC 1458a_100102632555_100000747449 [0,1,0,0,0,0|0,0,1]=2 1450 B12R0.113 CCCCCCC(C)NC(=O)CC 11a_100000210919_100000210414 [0,1,0,0,0,0|2,0,1]=4 1451 B12R0.113 CCCCCCC(C)NC(=O)CC 1626a_100000210919_100000210414 [0,1,0,0,0,0|2,0,1]=4 1452 B12R0.113 CCCCCCC(C)NC(=O)CC 240690a_100000210919_100000210414 [0,1,0,0,0,0|2,0,1]=4 1453 B12R0.113 CCCCCCC(C)NC(=O)CC 527a_100000210919_100000210414 [0,1,0,0,0,0|2,0,1]=4 1454 B12R0.113 CCCCCCC(C)NC(=O)NC 2708a_100000210919_106832991635 [0,1,0,0,0,0|2,0,1]=4 1455 B12R0.113 CCCCCCC(C)NC(=O)NC 2708a_100102657272_100000210919 [0,1,0,0,0,0|2,0,1]=4 1456 B12R0.113 CCCCCCC(C)NC(=O)NC 273464a_100000210919_100102657272 [0,1,0,0,0,0|2,0,1]=4 1457 B12R0.113 CCCCCCC(C)NC(=O)NC 273464a_100102657272_100000210919 [0,1,0,0,0,0|2,0,1]=4 1458 B12R0.113 CCCCCCC(C)NC(=O)NC 512a_100000210919_100102657272 [0,1,0,0,0,0|2,0,1]=4 1459 B12R0.113 CCCCCCC(C)NC(=O)NC 512a_106832991638_100000210919 [0,1,0,0,0,0|2,0,1]=4 1460 B12R0.113 CCCCCCN(C)CC(=O)CC 269982a_106256046315_100000747405 [0,1,0,0,0,0|2,0,1]=4 1461 B12R0.113 CCCCCCN(C)CC(=O)NC 2230a_100000189611_100000210314 [0,1,0,0,0,0|2,0,1]=4 1462 B12R0.113 CCCCCCN(C)CC(=O)NC 2230a_106256046315_100000183359 [0,1,0,0,0,0|2,0,1]=4 1463 B12R0.113 CCCCCCN(C)CC(=O)NC 269982a_106256046315_100000183359 [0,1,0,0,0,0|2,0,1]=4 1464 B12R0.113 CCCCCCN(C)CC(=O)OC 2230a_100000198492_100000210314 [0,1,0,0,0,0|1,0,1]=3 1465 B12R0.113 CCCCCCN(C)CC(=O)OC 2230a_106256046315_100000747449 [0,1,0,0,0,0|1,0,1]=3 1466 B12R0.113 CCCCCCN(C)CC(=O)OC 269982a_106256046315_100000747449 [0,1,0,0,0,0|1,0,1]=3 1467 B12R0.113 CCCCCNC(=O)C=C(C)CC 11a_100000209983_100020758463 [0,1,0,0,0,0|3,0,0]=4 1468 B12R0.113 CCCCCNC(=O)C=C(C)CC 1626a_100000209983_100020758463 [0,1,0,0,0,0|3,0,0]=4 1469 B12R0.113 CCCCCNC(=O)C=C(C)CC 240690a_100000209983_100020758463 [0,1,0,0,0,0|3,0,0]=4 1470 B12R0.113 CCCCCNC(=O)CC(=O)CC 1458a_100000210414_100000230301 [0,1,0,0,0,0|2,0,1]=4 1471 B12R0.113 CCCCCNC(=O)CC(=O)OC 240690a_100000209983_100000211351 [0,1,0,0,0,0|1,0,1]=3 1472 B12R0.113 CCCCCNC(C)CC(=O)OC 2230a_100000209983_100009817358 [0,1,0,0,0,0|1,0,2]=4 1473 B12R0.113 CCCCCOC(C)CC(=O)OC 34a_100000210253_100009817358 [0,1,0,0,0,0|1,0,2]=4 1474 B12R0.113 CCCCCOC(C)CC(=O)OC 7a_100000210253_100009817358 [0,1,0,0,0,0|1,0,2]=4 1475 B12R0.113 CCCCCSC(C)CC(=O)OC 62a_100000210326_100009817358 [0,1,0,0,0,0|1,0,2]=4 1476 B12R0.113 CCCCCSC(C)CC(=O)OC 62a_100009817358_100000210326 [0,1,0,0,0,0|1,0,2]=4 1477 B12R0.113 CCCCNC[C@H](O)CC(=O)OC 7a_106832991798_100000754131 [0,1,0,0,0,0|1,0,2]=4 1478 B12R0.113 CCCCNN=C(C)CC(=O)OC 4a_100025702795_100000210079 [0,1,0,0,0,0|2,0,1]=4 1479 B12R0.113 CCCCNNC(=O)CC(=O)OC 22a_100025702795_100000211351 [0,1,0,0,0,0|2,0,1]=4 1480 B12R0.113 CCCCOCC(=O)C=C(C)CC 1458a_100020758463_100011995733 [0,1,0,0,0,0|3,0,0]=4 1481 B12R0.113 CCCCOCC(=O)CC(=O)CC 1458a_100000757543_100000747405 [0,1,0,0,0,0|2,0,1]=4 1482 B12R0.113 CCCCOCC(=O)CC(=O)NC 1458a_100000757543_100000183359 [0,1,0,0,0,0|2,0,1]=4 1483 B12R0.113 CCCCOCC(=O)CC(=O)OC 1458a_100000211351_100011995733 [0,1,0,0,0,0|1,0,1]=3 1484 B12R0.113 CCCCOCC(=O)CC(=O)OC 1458a_100000757543_100000747449 [0,1,0,0,0,0|1,0,1]=3 1485 B12R0.113 CCCCOCN(C)CC(=O)OC 2230a_100000198492_100011995733 [0,1,0,0,0,0|2,0,1]=4 1486 B12R0.113 CCCCOC[C@H](O)CC(=O)OC 34a_100000210227_100000754131 [0,1,0,0,0,0|1,0,2]=4 1487 B12R0.113 CCCCOC[C@H](O)CC(=O)OC 7a_100000210227_100000754131 [0,1,0,0,0,0|1,0,2]=4 1488 B12R0.113 CCCCSCC(=O)CC(=O)CC 1458a_100000191162_100000747405 [0,1,0,0,0,0|2,0,1]=4 1489 B12R0.113 CCCCSCC(=O)CC(=O)NC 1458a_100000191162_100000183359 [0,1,0,0,0,0|2,0,1]=4 1490 B12R0.113 CCCCSCC(=O)CC(=O)OC 1458a_100000191162_100000747449 [0,1,0,0,0,0|1,0,1]=3 1491 B12R0.113 CCCCSCC(=O)CC(=O)OC 62a_100000210211_100000210525 [0,1,0,0,0,0|1,0,1]=3 1492 B12R0.113 CCCCSCC(=O)CC(=O)OC 62a_100000210525_100000210210 [0,1,0,0,0,0|1,0,1]=3 1493 B12R0.113 CCCCSCC(=O)NC(=O)OC 62a_100000210211_100000010850 [0,1,0,0,0,0|2,0,0]=3 1494 B12R0.113 CCCCSC[C@H](O)CC(=O)OC 62a_100000210211_100000754131 [0,1,0,0,0,0|1,0,2]=4 1495 B12R0.113 CCCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000210210 [0,1,0,0,0,0|1,0,2]=4 1496 B12R0.113 CCCOCCC(=O)C=C(C)CC 1458a_100020758463_100011215938 [0,1,0,0,0,0|3,0,0]=4 1497 B12R0.113 CCCOCCC(=O)CC(=O)OC 1458a_100000211351_100011215938 [0,1,0,0,0,0|1,0,1]=3 1498 B12R0.113 CCCOCCN(C)CC(=O)OC 2230a_100000198492_100011215938 [0,1,0,0,0,0|2,0,1]=4 1499 B12R0.113 CCOCCCC(=O)C=C(C)CC 1458a_100020758463_100012232248 [0,1,0,0,0,0|3,0,0]=4 1500 B12R0.113 CCOCCCC(=O)CC(=O)OC 1458a_100000211351_100012232248 [0,1,0,0,0,0|1,0,1]=3 1501 B12R0.113 CCOCCCN(C)CC(=O)OC 2230a_100000198492_100012232248 [0,1,0,0,0,0|2,0,1]=4 1502 B12R0.113 CCOCCNC(=O)CC(=O)OC 240690a_100011200944_100000211351 [0,1,0,0,0,0|2,0,1]=4 1503 B12R0.113 CCOCSCC(=O)CC(=O)OC 62a_100000210525_100000739092 [0,1,0,0,0,0|2,0,1]=4 1504 B12R0.113 CCOCSCC(=O)CC(=O)OC 62a_100000739092_100000210525 [0,1,0,0,0,0|2,0,1]=4 1505 B12R0.113 CCOCSCC(=O)NC(=O)OC 62a_100000739092_100000010850 [0,1,0,0,0,0|3,0,0]=4 1506 B12R0.113 CCSCCNC(=O)CC(=O)OC 240690a_100000106463_100000211351 [0,1,0,0,0,0|2,0,1]=4 1507 B12R0.113 CNC(=O)CC(=O)CCCCCO 1458a_100102619762_100000183359 [0,1,0,0,0,0|2,0,1]=4 1508 B12R0.113 COC(=O)CC(=O)CCCCC#N 1458a_100000211351_100000211819 [0,1,0,0,0,0|1,0,2]=4 1509 B12R0.113 COC(=O)CC(=O)CCCCCF 1458a_100000211351_100000729378 [0,1,0,0,0,0|1,0,1]=3 1510 B12R0.113 COC(=O)CC(=O)CCCCCO 1458a_100000211351_100000746330 [0,1,0,0,0,0|1,0,1]=3 1511 B12R0.113 COC(=O)CC(=O)CCCCCO 1458a_100102619762_100000747449 [0,1,0,0,0,0|1,0,1]=3 1512 B12R0.113 COC(=O)CC(=O)CCOCCO 1458a_100000211351_100011215305 [0,1,0,0,0,0|2,0,1]=4 1513 B12R0.113 COC(=O)CC(=O)CCOCCO 1458a_100011229844_100000747449 [0,1,0,0,0,0|2,0,1]=4 1514 B12R0.113 COC(=O)CC(=O)CSCCCF 62a_100000210525_100011934791 [0,1,0,0,0,0|2,0,1]=4 1515 B12R0.113 COC(=O)CC(=O)CSCCCF 62a_100011934791_100000210525 [0,1,0,0,0,0|2,0,1]=4 1516 B12R0.113 COC(=O)CC(=O)CSCCCO 62a_100000210525_100011215043 [0,1,0,0,0,0|2,0,1]=4 1517 B12R0.113 COC(=O)CC(=O)CSCCCO 62a_100011215043_100000210525 [0,1,0,0,0,0|2,0,1]=4 1518 B12R0.113 COC(=O)CC(=O)CSCCSC 62a_100000210525_100000751147 [0,1,0,0,0,0|2,0,1]=4 1519 B12R0.113 COC(=O)CC(=O)CSCCSC 62a_100000212216_100000210525 [0,1,0,0,0,0|2,0,1]=4 1520 B12R0.113 COC(=O)CC(=O)NCCCCO 240690a_100000750430_100000211351 [0,1,0,0,0,0|2,0,1]=4 1521 B12R0.113 COC(=O)CC(=O)NCCCSC 240690a_100000749238_100000211351 [0,1,0,0,0,0|2,0,1]=4 1522 B12R0.113 COC(=O)CN(C)CCCCCF 2230a_100000198492_100000729378 [0,1,0,0,0,0|2,0,1]=4 1523 B12R0.113 COC(=O)CN(C)CCCCCO 2230a_100000198492_100000746330 [0,1,0,0,0,0|2,0,1]=4 1524 B12R0.113 COC(=O)CN(C)CCCCCO 2230a_100000722520_100000747449 [0,1,0,0,0,0|2,0,1]=4 1525 B12R0.113 COC(=O)CN(C)CCCCCO 269982a_100000722520_100000747449 [0,1,0,0,0,0|2,0,1]=4 1526 B12R0.113 COC(=O)NC(=O)CSCCCF 62a_100011934791_100000010850 [0,1,0,0,0,0|3,0,0]=4 1527 B12R0.113 COC(=O)NC(=O)CSCCCO 62a_100011215043_100000010850 [0,1,0,0,0,0|3,0,0]=4 1528 B12R0.113 COC(=O)NC(=O)CSCCSC 62a_100000212216_100000010850 [0,1,0,0,0,0|3,0,0]=4 1529 B12R0.113 COCCCCC(=O)CC(=O)OC 1458a_100000211351_100000755781 [0,1,0,0,0,0|1,0,1]=3 1530 B12R0.113 COCCCCN(C)CC(=O)OC 2230a_100000198492_100000730899 [0,1,0,0,0,0|2,0,1]=4 1531 B12R0.113 COCCCNC(=O)CC(=O)OC 240690a_100150723488_100000211351 [0,1,0,0,0,0|2,0,1]=4 1532 B12R0.113 COCCOCC(=O)CC(=O)OC 1458a_100000211095_100000747449 [0,1,0,0,0,0|2,0,1]=4 1533 B12R0.113 COCCSCC(=O)CC(=O)OC 62a_100000210525_100000233755 [0,1,0,0,0,0|2,0,1]=4 1534 B12R0.113 COCCSCC(=O)CC(=O)OC 62a_100000233755_100000210525 [0,1,0,0,0,0|2,0,1]=4 1535 B12R0.113 COCCSCC(=O)NC(=O)OC 62a_100000233755_100000010850 [0,1,0,0,0,0|3,0,0]=4 1536 B12R0.142 CC=C(C)C=CC(=O)CCCCC 1458a_100000692105_100000210326 [0,1,0,0,0,0|2,0,1]=4 1537 B12R0.142 CCCCCC(=O)C=CC(=O)NC 1458a_100016259477_100000210326 [0,1,0,0,0,0|1,0,1]=3 1538 B12R0.142 CCCCCC(=O)CCC(=O)OC 1458a_100000187943_100000210326 [0,1,0,0,0,0|0,0,3]=4 1539 B12R0.142 CCCCCC(=O)CNC(=O)OC 1458a_100000215747_100000210326 [0,1,0,0,0,0|1,0,2]=4 1540 B12R0.142 CCCCCC(=O)NCC(=O)OC 188690a_100000185156_100000212188 [0,1,0,0,0,0|1,0,2]=4 1541 B12R0.142 CCCCCC(C)CCC(=O)CC 1458a_100000034243_100000210202 [0,1,0,0,0,0|1,0,2]=4 1542 B12R0.142 CCCCCC(C)CCC(=O)NC 11a_106832991635_100000034243 [0,1,0,0,0,0|1,0,2]=4 1543 B12R0.142 CCCCCC(C)CCC(=O)NC 1626a_100102657272_100000034243 [0,1,0,0,0,0|1,0,2]=4 1544 B12R0.142 CCCCCC(C)CCC(=O)NC 240690a_100102657272_100000034243 [0,1,0,0,0,0|1,0,2]=4 1545 B12R0.142 CCCCCC(C)CCC(=O)NC 527a_100102657272_100000034243 [0,1,0,0,0,0|1,0,2]=4 1546 B12R0.142 CCCCCC(C)NCC(=O)NC 2230a_100000211957_100000183359 [0,1,0,0,0,0|2,0,1]=4 1547 B12R0.142 CCCCCC(C)NCC(=O)NC 2230a_100000693194_200011218191 [0,1,0,0,0,0|2,0,1]=4 1548 B12R0.142 CCCCCC(C)NCC(=O)NC 270004a_100000693194_100000211708 [0,1,0,0,0,0|2,0,1]=4 1549 B12R0.142 CCCCCC(C)NCC(=O)OC 2230a_100000211957_100000747449 [0,1,0,0,0,0|1,0,1]=3 1550 B12R0.142 CCCCCC(C)OCC(=O)CC 34a_100000725409_200011218191 [0,1,0,0,0,0|2,0,1]=4 1551 B12R0.142 CCCCCC(C)OCC(=O)CC 7a_100011215632_100000747405 [0,1,0,0,0,0|2,0,1]=4 1552 B12R0.142 CCCCCC(C)OCC(=O)NC 34a_100000750040_200011218191 [0,1,0,0,0,0|2,0,1]=4 1553 B12R0.142 CCCCCC(C)OCC(=O)NC 34a_100011215632_100000183359 [0,1,0,0,0,0|2,0,1]=4 1554 B12R0.142 CCCCCC(C)OCC(=O)NC 7a_100011215632_100000183359 [0,1,0,0,0,0|2,0,1]=4 1555 B12R0.142 CCCCCC(C)OCC(=O)OC 34a_100011215632_100000747449 [0,1,0,0,0,0|1,0,1]=3 1556 B12R0.142 CCCCCC(C)OCC(=O)OC 7a_100011215632_100000747449 [0,1,0,0,0,0|1,0,1]=3 1557 B12R0.142 CCCCCC(C)SCC(=O)CC 62a_100000747405_200011218191 [0,1,0,0,0,0|2,0,1]=4 1558 B12R0.142 CCCCCC(C)SCC(=O)CC 62a_200011218191_100000747405 [0,1,0,0,0,0|2,0,1]=4 1559 B12R0.142 CCCCCC(C)SCC(=O)NC 62a_100000183359_200011218191 [0,1,0,0,0,0|2,0,1]=4 1560 B12R0.142 CCCCCC(C)SCC(=O)NC 62a_200011218191_100000183359 [0,1,0,0,0,0|2,0,1]=4 1561 B12R0.142 CCCCCC(C)SCC(=O)OC 62a_100000747449_200011218191 [0,1,0,0,0,0|1,0,1]=3 1562 B12R0.142 CCCCCC(C)SCC(=O)OC 62a_200011218191_100000747449 [0,1,0,0,0,0|1,0,1]=3 1563 B12R0.142 CCCCCN(C)CCC(=O)OC 2230a_100000223495_100000204255 [0,1,0,0,0,0|1,0,2]=4 1564 B12R0.142 CCCCCN(C)CCC(=O)OC 269982a_100000223495_100000204255 [0,1,0,0,0,0|1,0,2]=4 1565 B12R0.142 CCCCCN(C)CCC(=O)OC 269982a_100025711912_100000210215 [0,1,0,0,0,0|1,0,2]=4 1566 B12R0.142 CCCCNC(=O)C=CC(=O)NC 1626a_100000102301_100016259477 [0,1,0,0,0,0|2,0,1]=4 1567 B12R0.142 CCCCNC(=O)C=CC(=O)OC 1626a_100000102301_100016283253 [0,1,0,0,0,0|1,0,1]=3 1568 B12R0.142 CCCCOC(=O)C=CC(=O)NC 1626a_100102657272_100015195251 [0,1,0,0,0,0|2,0,1]=4 1569 B12R0.142 CCCCOC(=O)C=CC(=O)NC 240690a_100102657272_100015195251 [0,1,0,0,0,0|2,0,1]=4 1570 B12R0.142 CCCNN=C(C)C=CC(=O)OC 4a_100000740057_100016258046 [0,1,0,0,0,0|2,0,1]=4 1571 B12R0.142 CCCNNC(=O)C=CC(=O)OC 22a_100000740057_100016283253 [0,1,0,0,0,0|2,0,1]=4 1572 B12R0.142 CCOCCC(=O)C=CC(=O)NC 1458a_100016259477_100011215890 [0,1,0,0,0,0|2,0,1]=4 1573 B12R0.142 CCSCCC(=O)C=CC(=O)NC 1458a_100016259477_100000757381 [0,1,0,0,0,0|2,0,1]=4 1574 B12R0.142 CNC(=O)C=CC(=O)CCCCF 1458a_100016259477_100000729493 [0,1,0,0,0,0|2,0,1]=4 1575 B12R0.142 CNC(=O)C=CC(=O)CCCCO 1458a_100016259477_100000210776 [0,1,0,0,0,0|2,0,1]=4 1576 B12R0.142 CNC(=O)C=CC(=O)CCCOC 1458a_100016259477_100000740836 [0,1,0,0,0,0|2,0,1]=4 1577 B12R0.142 COC(=O)C=CC(=O)NCCCF 1626a_100015189416_100016283253 [0,1,0,0,0,0|2,0,1]=4 1578 B12R0.142 COC(=O)C=CC(=O)NCCSC 1626a_100020590264_100016283253 [0,1,0,0,0,0|2,0,1]=4 1579 B12R0.142 COCCCC(C)OCC(=O)OC 34a_200011539412_100000747449 [0,1,0,0,0,0|2,0,1]=4 1580 B12R0.142 COCCCC(C)OCC(=O)OC 7a_200011539412_100000747449 [0,1,0,0,0,0|2,0,1]=4 1581 B12R0.142 COCCNC(=O)C=CC(=O)OC 1626a_100000209980_100016283253 [0,1,0,0,0,0|2,0,1]=4 1582 B12R0.183 C=CC(C)COC/C=C/C(=O)OC 34a_100011215527_100000742655 [0,1,0,0,0,0|1,0,2]=4 1583 B12R0.183 C=CC(C)COC/C=C/C(=O)OC 7a_100011215527_100000742655 [0,1,0,0,0,0|1,0,2]=4 1584 B12R0.183 C=CC(O)CSC/C=C/C(=O)OC 62a_100000730141_100000742655 [0,1,0,0,0,0|1,0,2]=4 1585 B12R0.183 C=CC(O)CSC/C=C/C(=O)OC 62a_100000742655_100000730141 [0,1,0,0,0,0|1,0,2]=4 1586 B12R0.183 C=C[C@H](N)COC/C=C/C(=O)OC 34a_100016989147_100000742655 [0,1,0,0,0,0|1,0,2]=4 1587 B12R0.183 CCC(=O)CCCCCC(=O)OC 1458a_100000210414_100009816466 [0,1,0,0,0,0|0,0,3]=4 1588 B12R0.183 CCC(=O)CCCCCC(=O)OC 1458a_100009848860_100000210202 [0,1,0,0,0,0|0,0,3]=4 1589 B12R0.183 CCC(=O)COC/C=C/C(=O)OC 34a_100000725409_100000742655 [0,1,0,0,0,0|1,0,1]=3 1590 B12R0.183 CCC(=O)COCCCC(C)CC 7a_100011216074_100000747405 [0,1,0,0,0,0|2,0,1]=4 1591 B12R0.183 CCC(=O)CSC/C=C/C(=O)OC 62a_100000742655_100000747405 [0,1,0,0,0,0|1,0,1]=3 1592 B12R0.183 CCC(=O)CSC/C=C/C(=O)OC 62a_100000747405_100000742655 [0,1,0,0,0,0|1,0,1]=3 1593 B12R0.183 CCC(C)CCCOCC(=O)NC 7a_100011216074_100000183359 [0,1,0,0,0,0|2,0,1]=4 1594 B12R0.183 CCC(C)CCCOCC(=O)OC 7a_100011216074_100000747449 [0,1,0,0,0,0|1,0,1]=3 1595 B12R0.183 CCC(C)CCNCCC(=O)OC 2230a_100020591266_100000204255 [0,1,0,0,0,0|1,0,2]=4 1596 B12R0.183 CCC(C)CCOCCC(=O)OC 7a_100011215188_100000204255 [0,1,0,0,0,0|1,0,2]=4 1597 B12R0.183 CCC(C)CNC/C=C/C(=O)OC 2230a_100020588543_100000742655 [0,1,0,0,0,0|1,0,0]=2 1598 B12R0.183 CCC(C)CNCCCC(=O)OC 2230a_100020588543_100011218270 [0,1,0,0,0,0|1,0,2]=4 1599 B12R0.183 CCC(C)COCCNC(=O)OC 34a_100000757965_100000748023 [0,1,0,0,0,0|2,0,1]=4 1600 B12R0.183 CCC(C)COCCOC(=O)OC 34a_100010262106_100000748023 [0,1,0,0,0,0|2,0,1]=4 1601 B12R0.183 CCC(C)CSC/C=C/C(=O)OC 62a_100000742655_100000748023 [0,1,0,0,0,0|1,0,0]=2 1602 B12R0.183 CCC(C)CSC/C=C/C(=O)OC 62a_100000748023_100000742655 [0,1,0,0,0,0|1,0,0]=2 1603 B12R0.183 CCC(C)CSCCCC(=O)OC 62a_100000748023_100011218270 [0,1,0,0,0,0|1,0,2]=4 1604 B12R0.183 CCC(C)CSCCCC(=O)OC 62a_100011218270_100000748023 [0,1,0,0,0,0|1,0,2]=4 1605 B12R0.183 CCC(C)NCCCCC(=O)OC 2230a_100000209981_100000204269 [0,1,0,0,0,0|1,0,2]=4 1606 B12R0.183 CCC(C)NCCOCC(=O)OC 2230a_100000209981_100000090808 [0,1,0,0,0,0|2,0,1]=4 1607 B12R0.183 CCC(C)NN=CC=CC(=O)OC 4a_100000718999_100016254430 [0,1,0,0,0,0|2,0,1]=4 1608 B12R0.183 CCC(C)OCCCCC(=O)OC 34a_100000059025_100011215416 [0,1,0,0,0,0|1,0,2]=4 1609 B12R0.183 CCC(C)OCCCCC(=O)OC 7a_100000059025_100000758301 [0,1,0,0,0,0|1,0,2]=4 1610 B12R0.183 CCC(C)OCCCCC(=O)OC 7a_100000210228_100000204269 [0,1,0,0,0,0|1,0,2]=4 1611 B12R0.183 CCC(C)OCCOCC(=O)OC 7a_100000210228_100000090808 [0,1,0,0,0,0|2,0,1]=4 1612 B12R0.183 CCC(C)SCCCCC(=O)OC 62a_100000204269_100000758301 [0,1,0,0,0,0|1,0,2]=4 1613 B12R0.183 CCC(C)SCCCCC(=O)OC 62a_100000758301_100000204269 [0,1,0,0,0,0|1,0,2]=4 1614 B12R0.183 CCC(C)SCCOCC(=O)OC 62a_100000090808_100000758301 [0,1,0,0,0,0|2,0,1]=4 1615 B12R0.183 CCC(C)SCCOCC(=O)OC 62a_100000758301_100000090808 [0,1,0,0,0,0|2,0,1]=4 1616 B12R0.183 CCC(O)CNC/C=C/C(=O)OC 2230a_100011218483_100000742655 [0,1,0,0,0,0|1,0,0]=2 1617 B12R0.183 CCC(O)CNCCCC(=O)OC 2230a_100011218483_100011218270 [0,1,0,0,0,0|1,0,2]=4 1618 B12R0.183 CCC(O)CNN=CCC(=O)OC 4a_100015206393_200011552997 [0,1,0,0,0,0|2,0,1]=4 1619 B12R0.183 CCC(O)COCCNC(=O)OC 34a_100000757965_100011218378 [0,1,0,0,0,0|2,0,1]=4 1620 B12R0.183 CCC(O)COCCOC(=O)OC 34a_100010262106_100011218378 [0,1,0,0,0,0|2,0,1]=4 1621 B12R0.183 CCC(O)CSC/C=C/C(=O)OC 62a_100000742655_100011218378 [0,1,0,0,0,0|1,0,0]=2 1622 B12R0.183 CCC(O)CSC/C=C/C(=O)OC 62a_100011218378_100000742655 [0,1,0,0,0,0|1,0,0]=2 1623 B12R0.183 CCC(O)CSCCCC(=O)OC 62a_100011218270_100011218378 [0,1,0,0,0,0|1,0,2]=4 1624 B12R0.183 CCC(O)CSCCCC(=O)OC 62a_100011218378_100011218270 [0,1,0,0,0,0|1,0,2]=4 1625 B12R0.183 CCN(C)CCCCCC(=O)OC 2230a_100000225621_100009816466 [0,1,0,0,0,0|1,0,2]=4 1626 B12R0.183 CCN(C)CCCCCC(=O)OC 269982a_100000225621_100009816466 [0,1,0,0,0,0|1,0,2]=4 1627 B12R0.183 CCN(C)CCCSCC(=O)OC 62a_100000747449_100015186262 [0,1,0,0,0,0|2,0,1]=4 1628 B12R0.183 CC[C@H](C)COC/C=C/C(=O)OC 7a_100009816381_100000742655 [0,1,0,0,0,0|1,0,0]=2 1629 B12R0.183 CC[C@H](C)COCCCC(=O)OC 7a_100009816381_100011218270 [0,1,0,0,0,0|1,0,2]=4 1630 B12R0.183 CC[C@H](C)COCCNC(=O)OC 34a_100000757965_100009816398 [0,1,0,0,0,0|2,0,1]=4 1631 B12R0.183 CC[C@H](C)COCCOC(=O)OC 34a_100010262106_100009816398 [0,1,0,0,0,0|2,0,1]=4 1632 B12R0.183 CC[C@H](C)CSC/C=C/C(=O)OC 62a_100000742655_100009816398 [0,1,0,0,0,0|1,0,0]=2 1633 B12R0.183 CC[C@H](C)CSC/C=C/C(=O)OC 62a_100009816398_100000742655 [0,1,0,0,0,0|1,0,0]=2 1634 B12R0.183 CC[C@H](C)CSCCCC(=O)OC 62a_100009816398_100011218270 [0,1,0,0,0,0|1,0,2]=4 1635 B12R0.183 CC[C@H](C)CSCCCC(=O)OC 62a_100011218270_100009816398 [0,1,0,0,0,0|1,0,2]=4 1636 B12R0.183 CNC(=O)CNC/C=C/C(=O)OC 2230a_100000693194_100000742655 [0,1,0,0,0,0|2,0,1]=4 1637 B12R0.183 CNC(=O)COC/C=C/C(=O)OC 34a_100000750040_100000742655 [0,1,0,0,0,0|2,0,1]=4 1638 B12R0.183 CNC(=O)CSC/C=C/C(=O)OC 62a_100000183359_100000742655 [0,1,0,0,0,0|2,0,1]=4 1639 B12R0.183 CNC(=O)CSC/C=C/C(=O)OC 62a_100000742655_100000183359 [0,1,0,0,0,0|2,0,1]=4 1640 B12R0.183 COC(=O)/C=C/CNCC(C)CO 34a_100000744482_100000742655 [0,1,0,0,0,0|2,0,0]=3 1641 B12R0.183 COC(=O)/C=C/CNC[C@@H](C)OC 2230a_100020591295_100000742655 [0,1,0,0,0,0|2,0,0]=3 1642 B12R0.183 COC(=O)/C=C/CNC[C@@H](F)CO 34a_100015665980_100000742655 [0,1,0,0,0,0|2,0,0]=3 1643 B12R0.183 COC(=O)/C=C/CNC[C@H](O)CO 2230a_100020644852_100000742655 [0,1,0,0,0,0|2,0,0]=3 1644 B12R0.183 COC(=O)/C=C/COCC(C)CN 34a_100000744482_100000742655 [0,1,0,0,0,0|2,0,0]=3 1645 B12R0.183 COC(=O)/C=C/COCC(C)OC 34a_100000690652_100000742655 [0,1,0,0,0,0|2,0,0]=3 1646 B12R0.183 COC(=O)/C=C/COCC(Cl)CCl 34a_100000033668_100000742655 [0,1,0,0,0,0|2,0,0]=3 1647 B12R0.183 COC(=O)/C=C/COC[C@H](F)CN 34a_100015665980_100000742655 [0,1,0,0,0,0|2,0,0]=3 1648 B12R0.183 COC(=O)/C=C/CSCC(=O)OC 62a_100000742655_100000747449 [0,1,0,0,0,0|2,0,1]=4 1649 B12R0.183 COC(=O)/C=C/CSCC(=O)OC 62a_100000747449_100000742655 [0,1,0,0,0,0|2,0,1]=4 1650 B12R0.183 COC(=O)/C=C/CSCC(O)CO 62a_100000742655_100011219619 [0,1,0,0,0,0|2,0,0]=3 1651 B12R0.183 COC(=O)/C=C/CSCC(O)CO 62a_100011219619_100000742655 [0,1,0,0,0,0|2,0,0]=3 1652 B12R0.183 COC(=O)/C=C/CSC[C@@H](C)CO 62a_100000059175_100000742655 [0,1,0,0,0,0|2,0,0]=3 1653 B12R0.183 COC(=O)/C=C/CSC[C@@H](C)CO 62a_100000742655_100000059175 [0,1,0,0,0,0|2,0,0]=3 1654 B12R0.183 COC(=O)/C=C/CSC[C@@H](O)CF 62a_100000742655_100015614560 [0,1,0,0,0,0|2,0,0]=3 1655 B12R0.183 COC(=O)/C=C/CSC[C@@H](O)CF 62a_100015614560_100000742655 [0,1,0,0,0,0|2,0,0]=3 1656 B12R0.183 COC(=O)/C=C/CSC[C@@H](O)CO 62a_100000742655_100009815848 [0,1,0,0,0,0|2,0,0]=3 1657 B12R0.183 COC(=O)/C=C/CSC[C@@H](O)CO 62a_100009815848_100000742655 [0,1,0,0,0,0|2,0,0]=3 1658 B12R0.183 COC(=O)COCCC[C@@H](C)CN 34a_100160569302_100000747449 [0,1,0,0,0,0|2,0,1]=4 1659 B12R0.184 C=C(Br)CCOC/C=C/C(=O)OC 34a_100009813270_100000742655 [0,1,0,0,0,0|1,0,2]=4 1660 B12R0.184 C=C(C)CCOC/C=C/C(=O)OC 34a_100000764851_100000742655 [0,1,0,0,0,0|1,0,1]=3 1661 B12R0.184 C=C(C)CCSC/C=C/C(=O)OC 62a_100000730704_100000742655 [0,1,0,0,0,0|1,0,1]=3 1662 B12R0.184 C=C(C)CCSC/C=C/C(=O)OC 62a_100000742655_100000730704 [0,1,0,0,0,0|1,0,1]=3 1663 B12R0.184 CCC(=O)CCCCCCC(C)C 1458a_100000040743_100000210202 [0,1,0,0,0,0|1,0,2]=4 1664 B12R0.184 CCC(=O)COCCCCC(C)C 34a_100000725409_100011216152 [0,1,0,0,0,0|2,0,1]=4 1665 B12R0.184 CCC(=O)COCCCCC(C)C 7a_100011214890_100000747405 [0,1,0,0,0,0|2,0,1]=4 1666 B12R0.184 CCC(=O)CSCCCCC(C)C 62a_100000747405_100011216152 [0,1,0,0,0,0|2,0,1]=4 1667 B12R0.184 CCC(=O)CSCCCCC(C)C 62a_100011216152_100000747405 [0,1,0,0,0,0|2,0,1]=4 1668 B12R0.184 CCC(=O)NCCCCCC(C)C 1626a_100011290863_100000210414 [0,1,0,0,0,0|2,0,1]=4 1669 B12R0.184 CCC(=O)NCCCCCC(C)C 240690a_100011290863_100000210414 [0,1,0,0,0,0|2,0,1]=4 1670 B12R0.184 CCC(=O)NCCCCCC(C)C 527a_100011290863_100000210414 [0,1,0,0,0,0|2,0,1]=4 1671 B12R0.184 CNC(=O)CCCCCCC(C)C 11a_106832991635_100000040743 [0,1,0,0,0,0|1,0,2]=4 1672 B12R0.184 CNC(=O)CCCCCCC(C)C 1626a_100102657272_100000040743 [0,1,0,0,0,0|1,0,2]=4 1673 B12R0.184 CNC(=O)CCCCCCC(C)C 240690a_100102657272_100000040743 [0,1,0,0,0,0|1,0,2]=4 1674 B12R0.184 CNC(=O)CCCCCCC(C)C 527a_100102657272_100000040743 [0,1,0,0,0,0|1,0,2]=4 1675 B12R0.184 CNC(=O)CNCCCCC(C)C 2230a_100000693194_100011216152 [0,1,0,0,0,0|2,0,1]=4 1676 B12R0.184 CNC(=O)COCCCCC(C)C 34a_100000750040_100011216152 [0,1,0,0,0,0|2,0,1]=4 1677 B12R0.184 CNC(=O)COCCCCC(C)C 34a_100011214890_100000183359 [0,1,0,0,0,0|2,0,1]=4 1678 B12R0.184 CNC(=O)COCCCCC(C)C 7a_100011214890_100000183359 [0,1,0,0,0,0|2,0,1]=4 1679 B12R0.184 CNC(=O)CSCCCCC(C)C 62a_100000183359_100011216152 [0,1,0,0,0,0|2,0,1]=4 1680 B12R0.184 CNC(=O)CSCCCCC(C)C 62a_100011216152_100000183359 [0,1,0,0,0,0|2,0,1]=4 1681 B12R0.184 CNC(=O)NCCCCCC(C)C 2708a_100011290863_106832991635 [0,1,0,0,0,0|2,0,1]=4 1682 B12R0.184 CNC(=O)NCCCCCC(C)C 2708a_100102657272_100011290863 [0,1,0,0,0,0|2,0,1]=4 1683 B12R0.184 CNC(=O)NCCCCCC(C)C 273464a_100011290863_100102657272 [0,1,0,0,0,0|2,0,1]=4 1684 B12R0.184 CNC(=O)NCCCCCC(C)C 273464a_100102657272_100011290863 [0,1,0,0,0,0|2,0,1]=4 1685 B12R0.184 CNC(=O)NCCCCCC(C)C 512a_100011290863_100102657272 [0,1,0,0,0,0|2,0,1]=4 1686 B12R0.184 CNC(=O)NCCCCCC(C)C 512a_106832991638_100011290863 [0,1,0,0,0,0|2,0,1]=4 1687 B12R0.184 COC(=O)/C=C/CNCC=C(C)C 34a_100000718196_100000742655 [0,1,0,0,0,0|1,0,2]=4 1688 B12R0.184 COC(=O)/C=C/CNCCC(C)O 2230a_200000755665_100000742655 [0,1,0,0,0,0|1,0,0]=2 1689 B12R0.184 COC(=O)/C=C/COCC=C(C)C 34a_100000753907_100000742655 [0,1,0,0,0,0|1,0,2]=4 1690 B12R0.184 COC(=O)/C=C/COCCC(=O)C 34a_100000759926_100000742655 [0,1,0,0,0,0|1,0,1]=3 1691 B12R0.184 COC(=O)/C=C/COCCC(=O)C 7a_100000759926_100000742655 [0,1,0,0,0,0|1,0,1]=3 1692 B12R0.184 COC(=O)/C=C/COCCC(=O)N 34a_100000757172_100000742655 [0,1,0,0,0,0|2,0,1]=4 1693 B12R0.184 COC(=O)/C=C/COCCC(=O)N 7a_100000757172_100000742655 [0,1,0,0,0,0|2,0,1]=4 1694 B12R0.184 COC(=O)/C=C/COCCC(C)Br 34a_100009893172_100000742655 [0,1,0,0,0,0|1,0,0]=2 1695 B12R0.184 COC(=O)/C=C/COCCC(C)C 34a_100000210254_100000742655 [0,1,0,0,0,0|1,0,0]=2 1696 B12R0.184 COC(=O)/C=C/COCCC(C)C 7a_100000210254_100000742655 [0,1,0,0,0,0|1,0,0]=2 1697 B12R0.184 COC(=O)/C=C/COCCC(F)F 34a_100103093639_100000742655 [0,1,0,0,0,0|2,0,0]=3 1698 B12R0.184 COC(=O)/C=C/COCC[C@@H](C)N 34a_100000706166_100000742655 [0,1,0,0,0,0|1,0,0]=2 1699 B12R0.184 COC(=O)/C=C/CSCC=C(C)C 62a_100000742655_100000761012 [0,1,0,0,0,0|1,0,2]=4 1700 B12R0.184 COC(=O)/C=C/CSCC=C(C)C 62a_100000761012_100000742655 [0,1,0,0,0,0|1,0,2]=4 1701 B12R0.184 COC(=O)/C=C/CSCCC(=O)C 62a_100000053229_100000742655 [0,1,0,0,0,0|1,0,1]=3 1702 B12R0.184 COC(=O)/C=C/CSCCC(=O)C 62a_100000742655_100000053229 [0,1,0,0,0,0|1,0,1]=3 1703 B12R0.184 COC(=O)/C=C/CSCCC(=O)N 62a_100000742655_100000744528 [0,1,0,0,0,0|2,0,1]=4 1704 B12R0.184 COC(=O)/C=C/CSCCC(=O)N 62a_100000744528_100000742655 [0,1,0,0,0,0|2,0,1]=4 1705 B12R0.184 COC(=O)/C=C/CSCCC(C)C 62a_100000210312_100000742655 [0,1,0,0,0,0|1,0,0]=2 1706 B12R0.184 COC(=O)/C=C/CSCCC(C)C 62a_100000742655_100000210312 [0,1,0,0,0,0|1,0,0]=2 1707 B12R0.184 COC(=O)/C=C/CSCCC(C)O 62a_100000742655_100012276601 [0,1,0,0,0,0|1,0,0]=2 1708 B12R0.184 COC(=O)/C=C/CSCCC(C)O 62a_100012276601_100000742655 [0,1,0,0,0,0|1,0,0]=2 1709 B12R0.184 COC(=O)/C=C/CSCCN(C)C 62a_100000742655_100000755713 [0,1,0,0,0,0|2,0,0]=3 1710 B12R0.184 COC(=O)/C=C/CSCOC(=O)C 62a_100000076356_100000742655 [0,1,0,0,0,0|2,0,1]=4 1711 B12R0.184 COC(=O)/C=C/CSCOC(=O)C 62a_100000742655_100000076356 [0,1,0,0,0,0|2,0,1]=4 1712 B12R0.184 COC(=O)/C=C/CSCOC(C)C 62a_100000709892_100000742655 [0,1,0,0,0,0|2,0,0]=3 1713 B12R0.184 COC(=O)/C=C/CSCOC(C)C 62a_100000742655_100000709892 [0,1,0,0,0,0|2,0,0]=3 1714 B12R0.184 COC(=O)C=CC=NNCC(C)O 4a_200000730056_100016254430 [0,1,0,0,0,0|2,0,1]=4 1715 B12R0.184 COC(=O)CCCCCCC(=O)C 1458a_100000036694_200000210301 [0,1,0,0,0,0|0,0,3]=4 1716 B12R0.184 COC(=O)CCCCCCC(=O)C 1458a_100000070787_100009815986 [0,1,0,0,0,0|0,0,3]=4 1717 B12R0.184 COC(=O)CCCCCCC(=O)[13CH3] 1458a_100000036694_200025704644 [0,1,0,0,0,0|0,0,3]=4 1718 B12R0.184 COC(=O)CCCCCCN(C)C 2230a_100102631434_100009815986 [0,1,0,0,0,0|1,0,2]=4 1719 B12R0.184 COC(=O)CCCCCCN(C)C 269982a_100102631434_100009815986 [0,1,0,0,0,0|1,0,2]=4 1720 B12R0.184 COC(=O)CCCCCNC(C)C 2230a_100138425928_100009816466 [0,1,0,0,0,0|1,0,2]=4 1721 B12R0.184 COC(=O)CCCCCNC(C)C 34a_100138425928_100009816466 [0,1,0,0,0,0|1,0,2]=4 1722 B12R0.184 COC(=O)CCCCCOC(C)C 34a_100000074720_100000210206 [0,1,0,0,0,0|1,0,2]=4 1723 B12R0.184 COC(=O)CCCCCOC(C)C 34a_100000212225_100009816466 [0,1,0,0,0,0|1,0,2]=4 1724 B12R0.184 COC(=O)CCCCCOC(C)C 7a_100000074720_100000210206 [0,1,0,0,0,0|1,0,2]=4 1725 B12R0.184 COC(=O)CCCCCSC(C)C 62a_100000210206_100009816466 [0,1,0,0,0,0|1,0,2]=4 1726 B12R0.184 COC(=O)CCCCCSC(C)C 62a_100009816466_100000210206 [0,1,0,0,0,0|1,0,2]=4 1727 B12R0.184 COC(=O)CCCCNCC(C)C 2230a_100000210953_100000204269 [0,1,0,0,0,0|1,0,2]=4 1728 B12R0.184 COC(=O)CCCCNCC(C)C 34a_100000210953_100000204269 [0,1,0,0,0,0|1,0,2]=4 1729 B12R0.184 COC(=O)CCCCNCC(C)O 2230a_100000210904_100000204269 [0,1,0,0,0,0|1,0,2]=4 1730 B12R0.184 COC(=O)CCCCNCC(C)O 34a_100000210904_100000204269 [0,1,0,0,0,0|1,0,2]=4 1731 B12R0.184 COC(=O)CCCCOCC(C)Br 34a_100012180447_100000204269 [0,1,0,0,0,0|1,0,2]=4 1732 B12R0.184 COC(=O)CCCCOCC(C)C 34a_100000059025_100000210624 [0,1,0,0,0,0|1,0,2]=4 1733 B12R0.184 COC(=O)CCCCOCC(C)C 34a_100000210257_100000204269 [0,1,0,0,0,0|1,0,2]=4 1734 B12R0.184 COC(=O)CCCCOCC(C)C 7a_100000059025_100000210760 [0,1,0,0,0,0|1,0,2]=4 1735 B12R0.184 COC(=O)CCCCOCC(C)F 34a_100015925927_100000204269 [0,1,0,0,0,0|1,0,2]=4 1736 B12R0.184 COC(=O)CCCCOCC(C)O 34a_100000059025_100011218427 [0,1,0,0,0,0|1,0,2]=4 1737 B12R0.184 COC(=O)CCCCOCC(C)O 7a_100000059025_100011218427 [0,1,0,0,0,0|1,0,2]=4 1738 B12R0.184 COC(=O)CCCCOC[C@@H](C)Cl 34a_100016084084_100000204269 [0,1,0,0,0,0|1,0,2]=4 1739 B12R0.184 COC(=O)CCCCOC[C@@H](C)N 34a_100000737577_100000204269 [0,1,0,0,0,0|1,0,2]=4 1740 B12R0.184 COC(=O)CCCCOC[C@@H](C)O 34a_100000059025_100009817552 [0,1,0,0,0,0|1,0,2]=4 1741 B12R0.184 COC(=O)CCCCOC[C@@H](C)O 7a_100000059025_100009817552 [0,1,0,0,0,0|1,0,2]=4 1742 B12R0.184 COC(=O)CCCCSCC(C)C 62a_100000204269_100000210760 [0,1,0,0,0,0|1,0,2]=4 1743 B12R0.184 COC(=O)CCCCSCC(C)C 62a_100000210624_100000204269 [0,1,0,0,0,0|1,0,2]=4 1744 B12R0.184 COC(=O)CCCCSCC(C)O 62a_100000204269_100011218427 [0,1,0,0,0,0|1,0,2]=4 1745 B12R0.184 COC(=O)CCCCSCC(C)O 62a_100011218427_100000204269 [0,1,0,0,0,0|1,0,2]=4 1746 B12R0.184 COC(=O)CCCCSC[C@@H](C)O 62a_100000204269_100009817552 [0,1,0,0,0,0|1,0,2]=4 1747 B12R0.184 COC(=O)CCCCSC[C@@H](C)O 62a_100009817552_100000204269 [0,1,0,0,0,0|1,0,2]=4 1748 B12R0.184 COC(=O)CCCNCCC(C)O 2230a_200000755665_100011218270 [0,1,0,0,0,0|1,0,2]=4 1749 B12R0.184 COC(=O)CCCOCCC(C)Br 34a_100009893172_100000742333 [0,1,0,0,0,0|1,0,2]=4 1750 B12R0.184 COC(=O)CCCOCCC(C)C 34a_100000210254_100000742333 [0,1,0,0,0,0|1,0,2]=4 1751 B12R0.184 COC(=O)CCCOCCC(C)C 7a_100000210254_100011218270 [0,1,0,0,0,0|1,0,2]=4 1752 B12R0.184 COC(=O)CCCOCC[C@@H](C)N 34a_100000706166_100000742333 [0,1,0,0,0,0|1,0,2]=4 1753 B12R0.184 COC(=O)CCCSCCC(C)C 62a_100000210312_100011218270 [0,1,0,0,0,0|1,0,2]=4 1754 B12R0.184 COC(=O)CCCSCCC(C)C 62a_100011218270_100000210312 [0,1,0,0,0,0|1,0,2]=4 1755 B12R0.184 COC(=O)CCCSCCC(C)O 62a_100011218270_100012276601 [0,1,0,0,0,0|1,0,2]=4 1756 B12R0.184 COC(=O)CCCSCCC(C)O 62a_100012276601_100011218270 [0,1,0,0,0,0|1,0,2]=4 1757 B12R0.184 COC(=O)CCNCCCC(C)C 2230a_200000737386_100000204255 [0,1,0,0,0,0|1,0,2]=4 1758 B12R0.184 COC(=O)CCNCCCC(C)C 34a_200000737386_100000742370 [0,1,0,0,0,0|1,0,2]=4 1759 B12R0.184 COC(=O)CCOCCCC(C)C 34a_100000210774_100000742370 [0,1,0,0,0,0|1,0,2]=4 1760 B12R0.184 COC(=O)CCOCCCC(C)C 7a_100000210774_100000204255 [0,1,0,0,0,0|1,0,2]=4 1761 B12R0.184 COC(=O)CCSCCCC(C)C 62a_100000204255_100011214892 [0,1,0,0,0,0|1,0,2]=4 1762 B12R0.184 COC(=O)CCSCCCC(C)C 62a_100011214892_100000204255 [0,1,0,0,0,0|1,0,2]=4 1763 B12R0.184 COC(=O)CCSCCCC(C)O 62a_100000204255_200000718107 [0,1,0,0,0,0|1,0,2]=4 1764 B12R0.184 COC(=O)CCSCCCC(C)O 62a_200000718107_100000204255 [0,1,0,0,0,0|1,0,2]=4 1765 B12R0.184 COC(=O)CNCCCOC(C)C 2230a_100000737246_100000747449 [0,1,0,0,0,0|2,0,1]=4 1766 B12R0.184 COC(=O)CNCCCOC(C)C 34a_100000737246_100000747449 [0,1,0,0,0,0|2,0,1]=4 1767 B12R0.184 COC(=O)COCCCCC(C)C 34a_100011214890_100000747449 [0,1,0,0,0,0|1,0,1]=3 1768 B12R0.184 COC(=O)COCCCCC(C)C 7a_100011214890_100000747449 [0,1,0,0,0,0|1,0,1]=3 1769 B12R0.184 COC(=O)COCCCNC(C)C 34a_100000182298_100000747449 [0,1,0,0,0,0|2,0,1]=4 1770 B12R0.184 COC(=O)COCCNCC(C)C 2230a_100000210953_100000090808 [0,1,0,0,0,0|2,0,1]=4 1771 B12R0.184 COC(=O)COCCNCC(C)C 34a_100000210953_100000090808 [0,1,0,0,0,0|2,0,1]=4 1772 B12R0.184 COC(=O)COCCNCC(C)C 34a_100015185251_100000747449 [0,1,0,0,0,0|2,0,1]=4 1773 B12R0.184 COC(=O)COCCNCC(C)O 2230a_100000210904_100000090808 [0,1,0,0,0,0|2,0,1]=4 1774 B12R0.184 COC(=O)COCCNCC(C)O 34a_100000210904_100000090808 [0,1,0,0,0,0|2,0,1]=4 1775 B12R0.184 COC(=O)COCCOCC(C)Br 34a_100012180447_100000090808 [0,1,0,0,0,0|2,0,1]=4 1776 B12R0.184 COC(=O)COCCOCC(C)C 34a_100000210257_100000090808 [0,1,0,0,0,0|2,0,1]=4 1777 B12R0.184 COC(=O)COCCOCC(C)C 34a_100000703358_100000747449 [0,1,0,0,0,0|2,0,1]=4 1778 B12R0.184 COC(=O)COCCOCC(C)C 7a_100000703358_100000747449 [0,1,0,0,0,0|2,0,1]=4 1779 B12R0.184 COC(=O)COCCOCC(C)F 34a_100015925927_100000090808 [0,1,0,0,0,0|2,0,1]=4 1780 B12R0.184 COC(=O)COCCOC[C@@H](C)Cl 34a_100016084084_100000090808 [0,1,0,0,0,0|2,0,1]=4 1781 B12R0.184 COC(=O)COCCOC[C@@H](C)N 34a_100000737577_100000090808 [0,1,0,0,0,0|2,0,1]=4 1782 B12R0.184 COC(=O)COCCSCC(C)C 34a_200000230437_100000747449 [0,1,0,0,0,0|2,0,1]=4 1783 B12R0.184 COC(=O)COCCSCC(C)C 62a_100000090808_100000210760 [0,1,0,0,0,0|2,0,1]=4 1784 B12R0.184 COC(=O)COCCSCC(C)C 62a_100000210624_100000090808 [0,1,0,0,0,0|2,0,1]=4 1785 B12R0.184 COC(=O)COCCSCC(C)C 7a_200000230437_100000747449 [0,1,0,0,0,0|2,0,1]=4 1786 B12R0.184 COC(=O)COCCSCC(C)O 62a_100000090808_100011218427 [0,1,0,0,0,0|2,0,1]=4 1787 B12R0.184 COC(=O)COCCSCC(C)O 62a_100011218427_100000090808 [0,1,0,0,0,0|2,0,1]=4 1788 B12R0.184 COC(=O)COCCSC[C@@H](C)O 62a_100000090808_100009817552 [0,1,0,0,0,0|2,0,1]=4 1789 B12R0.184 COC(=O)COCCSC[C@@H](C)O 62a_100009817552_100000090808 [0,1,0,0,0,0|2,0,1]=4 1790 B12R0.184 COC(=O)CSCCCCC(=O)C 62a_100000735457_100000747449 [0,1,0,0,0,0|1,0,2]=4 1791 B12R0.184 COC(=O)CSCCCCC(=O)C 62a_100000747449_100000735457 [0,1,0,0,0,0|1,0,2]=4 1792 B12R0.184 COC(=O)CSCCCCC(C)C 62a_100000747449_100011216152 [0,1,0,0,0,0|1,0,1]=3 1793 B12R0.184 COC(=O)CSCCCCC(C)C 62a_100011216152_100000747449 [0,1,0,0,0,0|1,0,1]=3 1794 B12R0.184 COC(=O)CSCCCCN(C)C 62a_100000747449_100000690147 [0,1,0,0,0,0|2,0,1]=4 1795 B12R0.184 COC(=O)NCCOCCC(C)C 34a_100000757965_100000210312 [0,1,0,0,0,0|2,0,1]=4 1796 B12R0.184 COC(=O)NCCOCCC(C)O 34a_100000757965_100012276601 [0,1,0,0,0,0|2,0,1]=4 1797 B12R0.184 COC(=O)OCCOCCC(C)C 34a_100010262106_100000210312 [0,1,0,0,0,0|2,0,1]=4 1798 B12R0.184 COC(=O)OCCOCCC(C)O 34a_100010262106_100012276601 [0,1,0,0,0,0|2,0,1]=4 1799 B12R0.184 COC(=O)OCSCCCC(C)C 62a_100011214892_100000139417 [0,1,0,0,0,0|2,0,1]=4 1800 B12R0.184 COC(=O)OCSCCCC(C)O 62a_200000718107_100000139417 [0,1,0,0,0,0|2,0,1]=4 1801 B12R0.248 C#CCCCCCOCC(=O)OC 34a_100000766912_100000747449 [0,1,0,0,0,0|1,0,2]=4 1802 B12R0.248 C#CCCCCCOCC(=O)OC 7a_100000766912_100000747449 [0,1,0,0,0,0|1,0,2]=4 1803 B12R0.248 C#CCCCCCSCC(=O)OC 62a_100000747449_100012094781 [0,1,0,0,0,0|1,0,2]=4 1804 B12R0.248 C#CCCCCCSCC(=O)OC 62a_100012094781_100000747449 [0,1,0,0,0,0|1,0,2]=4 1805 B12R0.248 C#CCCCNC/C=C/C(=O)OC 34a_100000718082_100000742655 [0,1,0,0,0,0|0,0,2]=3 1806 B12R0.248 C#CCCCOC/C=C/C(=O)OC 34a_100000215630_100000742655 [0,1,0,0,0,0|0,0,2]=3 1807 B12R0.248 C#CCCCOC/C=C/C(=O)OC 7a_100000215630_100000742655 [0,1,0,0,0,0|0,0,2]=3 1808 B12R0.248 C#CCCCSC/C=C/C(=O)OC 62a_100000742655_100011215417 [0,1,0,0,0,0|0,0,2]=3 1809 B12R0.248 C#CCCCSC/C=C/C(=O)OC 62a_100011215417_100000742655 [0,1,0,0,0,0|0,0,2]=3 1810 B12R0.248 C/C=C/CCOC/C=C/C(=O)OC 34a_100016278192_100000742655 [0,1,0,0,0,0|0,0,2]=3 1811 B12R0.248 C=CCCCCCOCC(=O)OC 34a_100011216702_100000747449 [0,1,0,0,0,0|1,0,2]=4 1812 B12R0.248 C=CCCCCCOCC(=O)OC 7a_100011216702_100000747449 [0,1,0,0,0,0|1,0,2]=4 1813 B12R0.248 C=CCCCCCSCC(=O)OC 62a_100000700193_100000747449 [0,1,0,0,0,0|1,0,2]=4 1814 B12R0.248 C=CCCCCCSCC(=O)OC 62a_100000747449_100000700193 [0,1,0,0,0,0|1,0,2]=4 1815 B12R0.248 C=CCCCNC/C=C/C(=O)OC 2230a_100000700776_100000742655 [0,1,0,0,0,0|0,0,2]=3 1816 B12R0.248 C=CCCCNC/C=C/C(=O)OC 34a_100000700776_100000742655 [0,1,0,0,0,0|0,0,2]=3 1817 B12R0.248 C=CCCCOC/C=C/C(=O)OC 34a_100000758997_100000742655 [0,1,0,0,0,0|0,0,2]=3 1818 B12R0.248 C=CCCCOC/C=C/C(=O)OC 7a_100000758997_100000742655 [0,1,0,0,0,0|0,0,2]=3 1819 B12R0.248 C=CCCCSC/C=C/C(=O)OC 62a_100000742655_100000757094 [0,1,0,0,0,0|0,0,2]=3 1820 B12R0.248 C=CCCCSC/C=C/C(=O)OC 62a_100011713584_100000742655 [0,1,0,0,0,0|0,0,2]=3 1821 B12R0.248 C=COCCOC/C=C/C(=O)OC 34a_100000033082_100000742655 [0,1,0,0,0,0|1,0,2]=4 1822 B12R0.248 C=COCCSC/C=C/C(=O)OC 62a_100000039644_100000742655 [0,1,0,0,0,0|1,0,2]=4 1823 B12R0.248 C=COCCSC/C=C/C(=O)OC 62a_100000742655_100000039644 [0,1,0,0,0,0|1,0,2]=4 1824 B12R0.248 CC#CCCOC/C=C/C(=O)OC 34a_100000750427_100000742655 [0,1,0,0,0,0|0,0,2]=3 1825 B12R0.248 CC/C=C/CCCOCC(=O)OC 34a_100016287902_100000747449 [0,1,0,0,0,0|1,0,2]=4 1826 B12R0.248 CC/C=C/CCCOCC(=O)OC 7a_100016287902_100000747449 [0,1,0,0,0,0|1,0,2]=4 1827 B12R0.248 CC/C=C\COC/C=C/C(=O)OC 34a_100016268518_100000742655 [0,1,0,0,0,0|0,0,2]=3 1828 B12R0.248 CC/C=C\CSC/C=C/C(=O)OC 62a_100000742655_100103147603 [0,1,0,0,0,0|0,0,2]=3 1829 B12R0.248 CC/C=C\CSC/C=C/C(=O)OC 62a_100103147603_100000742655 [0,1,0,0,0,0|0,0,2]=3 1830 B12R0.248 CCC#CCOC/C=C/C(=O)OC 34a_100000032950_100000742655 [0,1,0,0,0,0|0,0,2]=3 1831 B12R0.248 CCC#CCSC/C=C/C(=O)OC 62a_100000742655_100009813939 [0,1,0,0,0,0|0,0,2]=3 1832 B12R0.248 CCC#CCSC/C=C/C(=O)OC 62a_100009813939_100000742655 [0,1,0,0,0,0|0,0,2]=3 1833 B12R0.248 CCC(=O)CCCCCCCCO 1458a_100000210414_100000033203 [0,1,0,0,0,0|1,0,2]=4 1834 B12R0.248 CCC(=O)COCCCCCCBr 7a_100011215345_100000747405 [0,1,0,0,0,0|2,0,1]=4 1835 B12R0.248 CCC(=O)COCCCCCCCl 7a_100000766143_100000747405 [0,1,0,0,0,0|2,0,1]=4 1836 B12R0.248 CCC(=O)COCCCCCCF 34a_100000725409_100015922095 [0,1,0,0,0,0|2,0,1]=4 1837 B12R0.248 CCC(=O)COCCCCCCF 7a_100000732779_100000747405 [0,1,0,0,0,0|2,0,1]=4 1838 B12R0.248 CCC(=O)COCCCCCCO 34a_100000725409_100000766143 [0,1,0,0,0,0|2,0,1]=4 1839 B12R0.248 CCC(=O)CSCCCCCCF 62a_100000747405_100015922095 [0,1,0,0,0,0|2,0,1]=4 1840 B12R0.248 CCC(=O)CSCCCCCCF 62a_100015922095_100000747405 [0,1,0,0,0,0|2,0,1]=4 1841 B12R0.248 CCC(=O)CSCCCCCCO 62a_100000747405_100000766143 [0,1,0,0,0,0|2,0,1]=4 1842 B12R0.248 CCC(=O)CSCCCCCCO 62a_100000766143_100000747405 [0,1,0,0,0,0|2,0,1]=4 1843 B12R0.248 CCC(=O)NCCCCCCCO 240690a_100011996573_100000210414 [0,1,0,0,0,0|2,0,1]=4 1844 B12R0.248 CCCC#CCCOCC(=O)OC 34a_100000042726_100000747449 [0,1,0,0,0,0|1,0,2]=4 1845 B12R0.248 CCCC#CCCOCC(=O)OC 7a_100000042726_100000747449 [0,1,0,0,0,0|1,0,2]=4 1846 B12R0.248 CCCC/C=C/COCC(=O)OC 34a_200016272032_100000747449 [0,1,0,0,0,0|1,0,2]=4 1847 B12R0.248 CCCC/C=C/COCC(=O)OC 7a_200016272032_100000747449 [0,1,0,0,0,0|1,0,2]=4 1848 B12R0.248 CCCCC#CCOCC(=O)OC 34a_200000034558_100000747449 [0,1,0,0,0,0|1,0,2]=4 1849 B12R0.248 CCCCC#CCOCC(=O)OC 7a_200000034558_100000747449 [0,1,0,0,0,0|1,0,2]=4 1850 B12R0.248 CCCCC/C=C/CCC(=O)CC 1458a_200015255902_100000210202 [0,1,0,0,0,0|1,0,2]=4 1851 B12R0.248 CCCCC/C=C/CCC(=O)NC 11a_106832991635_200015255902 [0,1,0,0,0,0|1,0,2]=4 1852 B12R0.248 CCCCC/C=C/CCC(=O)NC 1626a_100102657272_200015255902 [0,1,0,0,0,0|1,0,2]=4 1853 B12R0.248 CCCCC/C=C/CCC(=O)NC 240690a_100102657272_200015255902 [0,1,0,0,0,0|1,0,2]=4 1854 B12R0.248 CCCCC/C=C/CCC(=O)NC 527a_100102657272_200015255902 [0,1,0,0,0,0|1,0,2]=4 1855 B12R0.248 CCCCCC/C=C/CC(=O)CC 1458a_100020681715_100000210202 [0,1,0,0,0,0|1,0,0]=2 1856 B12R0.248 CCCCCC/C=C/CC(=O)CF 1458a_100020681715_100015361967 [0,1,0,0,0,0|2,0,0]=3 1857 B12R0.248 CCCCCC/C=C/CC(=O)NC 11a_106832991635_100020681715 [0,1,0,0,0,0|1,0,0]=2 1858 B12R0.248 CCCCCC/C=C/CC(=O)NC 1626a_100102657272_100020681715 [0,1,0,0,0,0|1,0,0]=2 1859 B12R0.248 CCCCCC/C=C/CC(=O)NC 240690a_100102657272_100020681715 [0,1,0,0,0,0|1,0,0]=2 1860 B12R0.248 CCCCCCC=NNC(=O)CC 4a_100000183195_100000234349 [0,1,0,0,0,0|2,0,0]=3 1861 B12R0.248 CCCCCCCC=CC(=O)CC 1458a_200015332781_100000210202 [0,1,0,0,0,0|1,0,0]=2 1862 B12R0.248 CCCCCCCC=CC(=O)CF 1458a_200015332781_100015361967 [0,1,0,0,0,0|2,0,0]=3 1863 B12R0.248 CCCCCCCC=CC(=O)NC 11a_106832991635_200015332781 [0,1,0,0,0,0|1,0,0]=2 1864 B12R0.248 CCCCCCCC=CC(=O)NC 1626a_100102657272_200015332781 [0,1,0,0,0,0|1,0,0]=2 1865 B12R0.248 CCCCCCCC=CC(=O)NC 240690a_100102657272_200015332781 [0,1,0,0,0,0|1,0,0]=2 1866 B12R0.248 CCCCCCCCCC(=O)CC 1458a_100000210414_100000210670 [0,1,0,0,0,0|1,0,2]=4 1867 B12R0.248 CCCCCCCCCC(=O)CC 1458a_100000210558_100000210202 [0,1,0,0,0,0|1,0,2]=4 1868 B12R0.248 CCCCCCCCCC(=O)NC 11a_106832991635_100000210558 [0,1,0,0,0,0|1,0,2]=4 1869 B12R0.248 CCCCCCCCCC(=O)NC 1626a_100102657272_100000210558 [0,1,0,0,0,0|1,0,2]=4 1870 B12R0.248 CCCCCCCCCC(=O)NC 240690a_100102657272_100000210558 [0,1,0,0,0,0|1,0,2]=4 1871 B12R0.248 CCCCCCCCCC(=O)NC 527a_100102657272_100000210558 [0,1,0,0,0,0|1,0,2]=4 1872 B12R0.248 CCCCCCCCNC(=O)CC 11a_100000229939_100000210414 [0,1,0,0,0,0|1,0,2]=4 1873 B12R0.248 CCCCCCCCNC(=O)CC 1626a_100000229939_100000210414 [0,1,0,0,0,0|1,0,2]=4 1874 B12R0.248 CCCCCCCCNC(=O)CC 240690a_100000229939_100000210414 [0,1,0,0,0,0|1,0,2]=4 1875 B12R0.248 CCCCCCCCNC(=O)CC 527a_100000229939_100000210414 [0,1,0,0,0,0|1,0,2]=4 1876 B12R0.248 CCCCCCCCNC(=O)NC 2708a_100000229939_106832991635 [0,1,0,0,0,0|1,0,2]=4 1877 B12R0.248 CCCCCCCCNC(=O)NC 2708a_100102657272_100000229939 [0,1,0,0,0,0|1,0,2]=4 1878 B12R0.248 CCCCCCCCNC(=O)NC 273464a_100000229939_100102657272 [0,1,0,0,0,0|1,0,2]=4 1879 B12R0.248 CCCCCCCCNC(=O)NC 273464a_100102657272_100000229939 [0,1,0,0,0,0|1,0,2]=4 1880 B12R0.248 CCCCCCCCNC(=O)NC 512a_100000229939_100102657272 [0,1,0,0,0,0|1,0,2]=4 1881 B12R0.248 CCCCCCCCNC(=O)NC 512a_106832991638_100000229939 [0,1,0,0,0,0|1,0,2]=4 1882 B12R0.248 CCCCCCCNCC(=O)NC 2230a_100000229938_100000183359 [0,1,0,0,0,0|1,0,2]=4 1883 B12R0.248 CCCCCCCNCC(=O)NC 2230a_100000693194_100000210681 [0,1,0,0,0,0|1,0,2]=4 1884 B12R0.248 CCCCCCCNCC(=O)OC 2230a_100000229938_100000747449 [0,1,0,0,0,0|0,0,2]=3 1885 B12R0.248 CCCCCCCOCC(=O)CC 34a_100000725409_100000210614 [0,1,0,0,0,0|1,0,2]=4 1886 B12R0.248 CCCCCCCOCC(=O)CC 7a_100000210272_100000747405 [0,1,0,0,0,0|1,0,2]=4 1887 B12R0.248 CCCCCCCOCC(=O)NC 34a_100000210272_100000183359 [0,1,0,0,0,0|1,0,2]=4 1888 B12R0.248 CCCCCCCOCC(=O)NC 34a_100000750040_100000210614 [0,1,0,0,0,0|1,0,2]=4 1889 B12R0.248 CCCCCCCOCC(=O)NC 7a_100000210272_100000183359 [0,1,0,0,0,0|1,0,2]=4 1890 B12R0.248 CCCCCCCOCC(=O)OC 34a_100000210272_100000747449 [0,1,0,0,0,0|0,0,2]=3 1891 B12R0.248 CCCCCCCOCC(=O)OC 7a_100000210272_100000747449 [0,1,0,0,0,0|0,0,2]=3 1892 B12R0.248 CCCCCCCSCC(=O)CC 62a_100000210614_100000747405 [0,1,0,0,0,0|1,0,2]=4 1893 B12R0.248 CCCCCCCSCC(=O)CC 62a_100000747405_100000210316 [0,1,0,0,0,0|1,0,2]=4 1894 B12R0.248 CCCCCCCSCC(=O)NC 62a_100000183359_100000210316 [0,1,0,0,0,0|1,0,2]=4 1895 B12R0.248 CCCCCCCSCC(=O)NC 62a_100000210614_100000183359 [0,1,0,0,0,0|1,0,2]=4 1896 B12R0.248 CCCCCCCSCC(=O)OC 62a_100000210614_100000747449 [0,1,0,0,0,0|0,0,2]=3 1897 B12R0.248 CCCCCCCSCC(=O)OC 62a_100000747449_100000210316 [0,1,0,0,0,0|0,0,2]=3 1898 B12R0.248 CCCCCCNCCC(=O)NC 2230a_100000210581_100000737683 [0,1,0,0,0,0|1,0,2]=4 1899 B12R0.248 CCCCCCNCCC(=O)NC 2230a_100000738227_100000210314 [0,1,0,0,0,0|1,0,2]=4 1900 B12R0.248 CCCCCCNCCC(=O)NC 34a_100000738227_100000210314 [0,1,0,0,0,0|1,0,2]=4 1901 B12R0.248 CCCCCCNCCC(=O)OC 2230a_100000210581_100000204255 [0,1,0,0,0,0|0,0,2]=3 1902 B12R0.248 CCCCCCOCCC(=O)NC 34a_100000210259_100012179268 [0,1,0,0,0,0|1,0,2]=4 1903 B12R0.248 CCCCCCOCCC(=O)NC 34a_100000754576_100000210314 [0,1,0,0,0,0|1,0,2]=4 1904 B12R0.248 CCCCCCOCCC(=O)NC 7a_100000210259_100000737683 [0,1,0,0,0,0|1,0,2]=4 1905 B12R0.248 CCCCCCOCCC(=O)OC 34a_100000210259_100000742370 [0,1,0,0,0,0|0,0,2]=3 1906 B12R0.248 CCCCCCOCCC(=O)OC 7a_100000210259_100000204255 [0,1,0,0,0,0|0,0,2]=3 1907 B12R0.248 CCCCCCSCCC(=O)NC 62a_100000210314_100000737683 [0,1,0,0,0,0|1,0,2]=4 1908 B12R0.248 CCCCCCSCCC(=O)NC 62a_100000737683_100000210757 [0,1,0,0,0,0|1,0,2]=4 1909 B12R0.248 CCCCCCSCCC(=O)OC 62a_100000204255_100000210757 [0,1,0,0,0,0|0,0,2]=3 1910 B12R0.248 CCCCCCSCCC(=O)OC 62a_100000210314_100000204255 [0,1,0,0,0,0|0,0,2]=3 1911 B12R0.248 CCCCCCSCOC(=O)OC 62a_100000210314_100000139417 [0,1,0,0,0,0|1,0,1]=3 1912 B12R0.248 CCCCCNC/C=C/C(=O)OC 2230a_100000209983_100000742655 [0,1,0,0,0,0|0,0,0]=1 1913 B12R0.248 CCCCCNCCCC(=O)NC 2230a_100000209983_100000741757 [0,1,0,0,0,0|1,0,2]=4 1914 B12R0.248 CCCCCNCCCC(=O)NC 2230a_100000740002_100000210326 [0,1,0,0,0,0|1,0,2]=4 1915 B12R0.248 CCCCCNCCCC(=O)NC 34a_100000740002_100000718602 [0,1,0,0,0,0|1,0,2]=4 1916 B12R0.248 CCCCCNCCCC(=O)OC 2230a_100000209983_100011218270 [0,1,0,0,0,0|0,0,2]=3 1917 B12R0.248 CCCCCNCCNC(=O)CC 34a_100132302217_100000718602 [0,1,0,0,0,0|2,0,1]=4 1918 B12R0.248 CCCCCNCCNC(=O)NC 34a_100015205895_100000718602 [0,1,0,0,0,0|2,0,1]=4 1919 B12R0.248 CCCCCNN=CCC(=O)OC 4a_100000694160_200011552997 [0,1,0,0,0,0|1,0,1]=3 1920 B12R0.248 CCCCCOC/C=C/C(=O)OC 34a_100000210253_100000742655 [0,1,0,0,0,0|0,0,0]=1 1921 B12R0.248 CCCCCOC/C=C/C(=O)OC 7a_100000210253_100000742655 [0,1,0,0,0,0|0,0,0]=1 1922 B12R0.248 CCCCCOCCCC(=O)NC 34a_100000210253_100000741757 [0,1,0,0,0,0|1,0,2]=4 1923 B12R0.248 CCCCCOCCCC(=O)NC 7a_100000210253_100000741757 [0,1,0,0,0,0|1,0,2]=4 1924 B12R0.248 CCCCCOCCCC(=O)OC 34a_100000210253_100000742333 [0,1,0,0,0,0|0,0,2]=3 1925 B12R0.248 CCCCCOCCCC(=O)OC 7a_100000210253_100011218270 [0,1,0,0,0,0|0,0,2]=3 1926 B12R0.248 CCCCCOCCNC(=O)CC 34a_200000158885_100000718602 [0,1,0,0,0,0|2,0,1]=4 1927 B12R0.248 CCCCCOCCNC(=O)CC 7a_200000158885_100000210326 [0,1,0,0,0,0|2,0,1]=4 1928 B12R0.248 CCCCCOCCNC(=O)OC 34a_100000757965_100000718602 [0,1,0,0,0,0|1,0,1]=3 1929 B12R0.248 CCCCCOCCOC(=O)CC 7a_200000031056_100000210326 [0,1,0,0,0,0|2,0,1]=4 1930 B12R0.248 CCCCCOCCOC(=O)NC 34a_100000210253_200011997002 [0,1,0,0,0,0|2,0,1]=4 1931 B12R0.248 CCCCCOCCOC(=O)NC 7a_100000210253_200011997002 [0,1,0,0,0,0|2,0,1]=4 1932 B12R0.248 CCCCCOCCOC(=O)OC 34a_100010262106_100000718602 [0,1,0,0,0,0|1,0,1]=3 1933 B12R0.248 CCCCCSC/C=C/C(=O)OC 62a_100000210326_100000742655 [0,1,0,0,0,0|0,0,0]=1 1934 B12R0.248 CCCCCSC/C=C/C(=O)OC 62a_100000742655_100000210326 [0,1,0,0,0,0|0,0,0]=1 1935 B12R0.248 CCCCCSCCCC(=O)NC 62a_100000210326_100000741757 [0,1,0,0,0,0|1,0,2]=4 1936 B12R0.248 CCCCCSCCCC(=O)NC 62a_100000741757_100000210326 [0,1,0,0,0,0|1,0,2]=4 1937 B12R0.248 CCCCCSCCCC(=O)OC 62a_100000210326_100011218270 [0,1,0,0,0,0|0,0,2]=3 1938 B12R0.248 CCCCCSCCCC(=O)OC 62a_100011218270_100000210326 [0,1,0,0,0,0|0,0,2]=3 1939 B12R0.248 CCCCCSCCOC(=O)NC 62a_100000210326_200011997002 [0,1,0,0,0,0|2,0,1]=4 1940 B12R0.248 CCCCCSCCOC(=O)NC 62a_200011997002_100000210326 [0,1,0,0,0,0|2,0,1]=4 1941 B12R0.248 CCCCNCCCCC(=O)OC 2230a_100000102301_100000204269 [0,1,0,0,0,0|0,0,2]=3 1942 B12R0.248 CCCCNCCCCC(=O)OC 7a_106832991798_100000204269 [0,1,0,0,0,0|0,0,2]=3 1943 B12R0.248 CCCCNCCOCC(=O)OC 2230a_100000102301_100000090808 [0,1,0,0,0,0|1,0,1]=3 1944 B12R0.248 CCCCNCCOCC(=O)OC 7a_106832991798_100000090808 [0,1,0,0,0,0|1,0,1]=3 1945 B12R0.248 CCCCNN=CC=CC(=O)OC 4a_100025702795_100016254430 [0,1,0,0,0,0|1,0,1]=3 1946 B12R0.248 CCCCNN=CCCC(=O)OC 4a_100025702795_100012047195 [0,1,0,0,0,0|2,0,1]=4 1947 B12R0.248 CCCCOCCCCC(=O)OC 34a_100000059025_100000210210 [0,1,0,0,0,0|0,0,2]=3 1948 B12R0.248 CCCCOCCCCC(=O)OC 34a_100000210227_100000204269 [0,1,0,0,0,0|0,0,2]=3 1949 B12R0.248 CCCCOCCCCC(=O)OC 7a_100000059025_100000210211 [0,1,0,0,0,0|0,0,2]=3 1950 B12R0.248 CCCCOCCCCC(=O)OC 7a_100000210227_100000204269 [0,1,0,0,0,0|0,0,2]=3 1951 B12R0.248 CCCCOCCCNC(=O)CC 1626a_200000211371_100000210414 [0,1,0,0,0,0|2,0,1]=4 1952 B12R0.248 CCCCOCCCNC(=O)CC 240690a_200000211371_100000210414 [0,1,0,0,0,0|2,0,1]=4 1953 B12R0.248 CCCCOCCCNC(=O)CC 527a_200000211371_100000210414 [0,1,0,0,0,0|2,0,1]=4 1954 B12R0.248 CCCCOCCCNC(=O)NC 2708a_100102657272_200000211371 [0,1,0,0,0,0|2,0,1]=4 1955 B12R0.248 CCCCOCCCNC(=O)NC 2708a_200000211371_106832991635 [0,1,0,0,0,0|2,0,1]=4 1956 B12R0.248 CCCCOCCCNC(=O)NC 273464a_100102657272_200000211371 [0,1,0,0,0,0|2,0,1]=4 1957 B12R0.248 CCCCOCCCNC(=O)NC 273464a_200000211371_100102657272 [0,1,0,0,0,0|2,0,1]=4 1958 B12R0.248 CCCCOCCCNC(=O)NC 512a_106832991638_200000211371 [0,1,0,0,0,0|2,0,1]=4 1959 B12R0.248 CCCCOCCCNC(=O)NC 512a_200000211371_100102657272 [0,1,0,0,0,0|2,0,1]=4 1960 B12R0.248 CCCCOCCNCC(=O)NC 2230a_100000693194_100000743108 [0,1,0,0,0,0|2,0,1]=4 1961 B12R0.248 CCCCOCCOCC(=O)CC 1458a_100011216887_100000210202 [0,1,0,0,0,0|2,0,1]=4 1962 B12R0.248 CCCCOCCOCC(=O)CC 34a_100000725409_100000743108 [0,1,0,0,0,0|2,0,1]=4 1963 B12R0.248 CCCCOCCOCC(=O)CC 7a_100000210238_100000747405 [0,1,0,0,0,0|2,0,1]=4 1964 B12R0.248 CCCCOCCOCC(=O)NC 11a_106832991635_100011216887 [0,1,0,0,0,0|2,0,1]=4 1965 B12R0.248 CCCCOCCOCC(=O)NC 1626a_100102657272_100011216887 [0,1,0,0,0,0|2,0,1]=4 1966 B12R0.248 CCCCOCCOCC(=O)NC 240690a_100102657272_100011216887 [0,1,0,0,0,0|2,0,1]=4 1967 B12R0.248 CCCCOCCOCC(=O)NC 34a_100000210238_100000183359 [0,1,0,0,0,0|2,0,1]=4 1968 B12R0.248 CCCCOCCOCC(=O)NC 34a_100000750040_100000743108 [0,1,0,0,0,0|2,0,1]=4 1969 B12R0.248 CCCCOCCOCC(=O)NC 527a_100102657272_100011216887 [0,1,0,0,0,0|2,0,1]=4 1970 B12R0.248 CCCCOCCOCC(=O)NC 7a_100000210238_100000183359 [0,1,0,0,0,0|2,0,1]=4 1971 B12R0.248 CCCCOCCOCC(=O)OC 34a_100000210227_100000090808 [0,1,0,0,0,0|1,0,1]=3 1972 B12R0.248 CCCCOCCOCC(=O)OC 34a_100000210238_100000747449 [0,1,0,0,0,0|1,0,1]=3 1973 B12R0.248 CCCCOCCOCC(=O)OC 7a_100000210227_100000090808 [0,1,0,0,0,0|1,0,1]=3 1974 B12R0.248 CCCCOCCOCC(=O)OC 7a_100000210238_100000747449 [0,1,0,0,0,0|1,0,1]=3 1975 B12R0.248 CCCCOCCSCC(=O)CC 62a_100000743108_100000747405 [0,1,0,0,0,0|2,0,1]=4 1976 B12R0.248 CCCCOCCSCC(=O)CC 62a_100000747405_100000743108 [0,1,0,0,0,0|2,0,1]=4 1977 B12R0.248 CCCCOCCSCC(=O)NC 62a_100000183359_100000743108 [0,1,0,0,0,0|2,0,1]=4 1978 B12R0.248 CCCCOCCSCC(=O)NC 62a_100000743108_100000183359 [0,1,0,0,0,0|2,0,1]=4 1979 B12R0.248 CCCCOCCSCC(=O)OC 62a_100000743108_100000747449 [0,1,0,0,0,0|1,0,1]=3 1980 B12R0.248 CCCCOCCSCC(=O)OC 62a_100000747449_100000743108 [0,1,0,0,0,0|1,0,1]=3 1981 B12R0.248 CCCCOCSCCC(=O)OC 62a_100000204255_100011995733 [0,1,0,0,0,0|1,0,2]=4 1982 B12R0.248 CCCCOCSCCC(=O)OC 62a_100011995733_100000204255 [0,1,0,0,0,0|1,0,2]=4 1983 B12R0.248 CCCCOCSCOC(=O)OC 62a_100011995733_100000139417 [0,1,0,0,0,0|2,0,1]=4 1984 B12R0.248 CCCCSCCCCC(=O)OC 62a_100000204269_100000210210 [0,1,0,0,0,0|0,0,2]=3 1985 B12R0.248 CCCCSCCCCC(=O)OC 62a_100000210211_100000204269 [0,1,0,0,0,0|0,0,2]=3 1986 B12R0.248 CCCCSCCNCC(=O)NC 2230a_100025743550_100000183359 [0,1,0,0,0,0|2,0,1]=4 1987 B12R0.248 CCCCSCCNCC(=O)OC 2230a_100025743550_100000747449 [0,1,0,0,0,0|1,0,1]=3 1988 B12R0.248 CCCCSCCOCC(=O)CC 7a_200000230436_100000747405 [0,1,0,0,0,0|2,0,1]=4 1989 B12R0.248 CCCCSCCOCC(=O)NC 34a_200000230436_100000183359 [0,1,0,0,0,0|2,0,1]=4 1990 B12R0.248 CCCCSCCOCC(=O)NC 7a_200000230436_100000183359 [0,1,0,0,0,0|2,0,1]=4 1991 B12R0.248 CCCCSCCOCC(=O)OC 34a_200000230436_100000747449 [0,1,0,0,0,0|1,0,1]=3 1992 B12R0.248 CCCCSCCOCC(=O)OC 62a_100000090808_100000210210 [0,1,0,0,0,0|1,0,1]=3 1993 B12R0.248 CCCCSCCOCC(=O)OC 62a_100000210211_100000090808 [0,1,0,0,0,0|1,0,1]=3 1994 B12R0.248 CCCCSCCOCC(=O)OC 7a_200000230436_100000747449 [0,1,0,0,0,0|1,0,1]=3 1995 B12R0.248 CCCOCCCCCC(=O)OC 34a_100000074720_100000210303 [0,1,0,0,0,0|0,0,2]=3 1996 B12R0.248 CCCOCCCCCC(=O)OC 34a_100000210258_100009816466 [0,1,0,0,0,0|0,0,2]=3 1997 B12R0.248 CCCOCCCCCC(=O)OC 7a_100000074720_100000210303 [0,1,0,0,0,0|0,0,2]=3 1998 B12R0.248 CCCOCCCNCC(=O)NC 2230a_100011217757_100000183359 [0,1,0,0,0,0|2,0,1]=4 1999 B12R0.248 CCCOCCCNCC(=O)NC 34a_100011217757_100000183359 [0,1,0,0,0,0|2,0,1]=4 2000 B12R0.248 CCCOCCCNCC(=O)OC 2230a_100011217757_100000747449 [0,1,0,0,0,0|1,0,1]=3 2001 B12R0.248 CCCOCCCNCC(=O)OC 34a_100011217757_100000747449 [0,1,0,0,0,0|1,0,1]=3 2002 B12R0.248 CCCOCCNCCC(=O)OC 2230a_100161115042_100000204255 [0,1,0,0,0,0|1,0,2]=4 2003 B12R0.248 CCCOCCNCCC(=O)OC 34a_100161115042_100000742370 [0,1,0,0,0,0|1,0,2]=4 2004 B12R0.248 CCCOCCOCCC(=O)OC 34a_100000752267_100000742370 [0,1,0,0,0,0|1,0,2]=4 2005 B12R0.248 CCCOCCOCCC(=O)OC 7a_100000752267_100000204255 [0,1,0,0,0,0|1,0,2]=4 2006 B12R0.248 CCCOCCSCCC(=O)OC 62a_100000204255_100011215938 [0,1,0,0,0,0|1,0,2]=4 2007 B12R0.248 CCCOCCSCCC(=O)OC 62a_100011215938_100000204255 [0,1,0,0,0,0|1,0,2]=4 2008 B12R0.248 CCCOCCSCOC(=O)OC 62a_100011215938_100000139417 [0,1,0,0,0,0|2,0,1]=4 2009 B12R0.248 CCCSCCCCCC(=O)OC 62a_100000210303_100009816466 [0,1,0,0,0,0|0,0,2]=3 2010 B12R0.248 CCCSCCCCCC(=O)OC 62a_100009816466_100000210303 [0,1,0,0,0,0|0,0,2]=3 2011 B12R0.248 CCCSCCNCCC(=O)OC 2230a_100020603323_100000204255 [0,1,0,0,0,0|1,0,2]=4 2012 B12R0.248 CCCSCCOCCC(=O)OC 34a_200000230433_100000742370 [0,1,0,0,0,0|1,0,2]=4 2013 B12R0.248 CCCSCCOCCC(=O)OC 7a_200000230433_100000204255 [0,1,0,0,0,0|1,0,2]=4 2014 B12R0.248 CCNCCCCCCC(=O)OC 2230a_100015525214_100009815986 [0,1,0,0,0,0|0,0,2]=3 2015 B12R0.248 CCOCCCCCCC(=O)OC 34a_100009863599_100000210202 [0,1,0,0,0,0|0,0,2]=3 2016 B12R0.248 CCOCCCCCCC(=O)OC 34a_100121572206_100009815986 [0,1,0,0,0,0|0,0,2]=3 2017 B12R0.248 CCOCCCCCCC(=O)OC 7a_100009863599_100000210202 [0,1,0,0,0,0|0,0,2]=3 2018 B12R0.248 CCOCCCNCCC(=O)OC 2230a_100000210961_100000204255 [0,1,0,0,0,0|1,0,2]=4 2019 B12R0.248 CCOCCCNCCC(=O)OC 34a_100000210961_100000742370 [0,1,0,0,0,0|1,0,2]=4 2020 B12R0.248 CCOCCCOCCC(=O)OC 34a_100000757476_100000742370 [0,1,0,0,0,0|1,0,2]=4 2021 B12R0.248 CCOCCCOCCC(=O)OC 7a_100000757476_100000204255 [0,1,0,0,0,0|1,0,2]=4 2022 B12R0.248 CCOCCCSCCC(=O)OC 62a_100000204255_100012232248 [0,1,0,0,0,0|1,0,2]=4 2023 B12R0.248 CCOCCCSCCC(=O)OC 62a_100012232248_100000204255 [0,1,0,0,0,0|1,0,2]=4 2024 B12R0.248 CCOCCCSCOC(=O)OC 62a_100012232248_100000139417 [0,1,0,0,0,0|2,0,1]=4 2025 B12R0.248 CCOCCNC/C=C/C(=O)OC 2230a_102516460346_100000742655 [0,1,0,0,0,0|1,0,0]=2 2026 B12R0.248 CCOCCNC/C=C/C(=O)OC 34a_102516460346_100000742655 [0,1,0,0,0,0|1,0,0]=2 2027 B12R0.248 CCOCCNCCCC(=O)OC 2230a_102516460346_100011218270 [0,1,0,0,0,0|1,0,2]=4 2028 B12R0.248 CCOCCNCCCC(=O)OC 34a_102516460346_100000742333 [0,1,0,0,0,0|1,0,2]=4 2029 B12R0.248 CCOCCNN=CCC(=O)OC 4a_100000732670_200011552997 [0,1,0,0,0,0|2,0,1]=4 2030 B12R0.248 CCOCCOC/C=C/C(=O)OC 34a_100000210136_100000742655 [0,1,0,0,0,0|1,0,0]=2 2031 B12R0.248 CCOCCOC/C=C/C(=O)OC 7a_100000210136_100000742655 [0,1,0,0,0,0|1,0,0]=2 2032 B12R0.248 CCOCCOCCCC(=O)OC 34a_100000210136_100000742333 [0,1,0,0,0,0|1,0,2]=4 2033 B12R0.248 CCOCCOCCCC(=O)OC 7a_100000210136_100011218270 [0,1,0,0,0,0|1,0,2]=4 2034 B12R0.248 CCOCCOCCNC(=O)OC 34a_100000757965_100000210147 [0,1,0,0,0,0|2,0,1]=4 2035 B12R0.248 CCOCCOCCOC(=O)OC 34a_100010262106_100000210147 [0,1,0,0,0,0|2,0,1]=4 2036 B12R0.248 CCOCCSC/C=C/C(=O)OC 62a_100000210147_100000742655 [0,1,0,0,0,0|1,0,0]=2 2037 B12R0.248 CCOCCSC/C=C/C(=O)OC 62a_100000742655_100011215890 [0,1,0,0,0,0|1,0,0]=2 2038 B12R0.248 CCOCCSCCCC(=O)OC 62a_100000210147_100011218270 [0,1,0,0,0,0|1,0,2]=4 2039 B12R0.248 CCOCCSCCCC(=O)OC 62a_100011218270_100011215890 [0,1,0,0,0,0|1,0,2]=4 2040 B12R0.248 CCOCSCCCCC(=O)OC 62a_100000204269_100000739092 [0,1,0,0,0,0|1,0,2]=4 2041 B12R0.248 CCOCSCCCCC(=O)OC 62a_100000739092_100000204269 [0,1,0,0,0,0|1,0,2]=4 2042 B12R0.248 CCOCSCCOCC(=O)OC 62a_100000090808_100000739092 [0,1,0,0,0,0|2,0,1]=4 2043 B12R0.248 CCOCSCCOCC(=O)OC 62a_100000739092_100000090808 [0,1,0,0,0,0|2,0,1]=4 2044 B12R0.248 CCSCCCCCCC(=O)OC 62a_100000210202_100009815986 [0,1,0,0,0,0|0,0,2]=3 2045 B12R0.248 CCSCCCCCCC(=O)OC 62a_100009815986_100000210202 [0,1,0,0,0,0|0,0,2]=3 2046 B12R0.248 CCSCCCOCCC(=O)OC 34a_100011216438_100000742370 [0,1,0,0,0,0|1,0,2]=4 2047 B12R0.248 CCSCCCOCCC(=O)OC 7a_100011216438_100000204255 [0,1,0,0,0,0|1,0,2]=4 2048 B12R0.248 CCSCCNC/C=C/C(=O)OC 2230a_100000106463_100000742655 [0,1,0,0,0,0|1,0,0]=2 2049 B12R0.248 CCSCCNCCCC(=O)OC 2230a_100000106463_100011218270 [0,1,0,0,0,0|1,0,2]=4 2050 B12R0.248 CCSCCOC/C=C/C(=O)OC 34a_100000212035_100000742655 [0,1,0,0,0,0|1,0,0]=2 2051 B12R0.248 CCSCCOC/C=C/C(=O)OC 7a_100000212035_100000742655 [0,1,0,0,0,0|1,0,0]=2 2052 B12R0.248 CCSCCOCCCC(=O)OC 34a_100000212035_100000742333 [0,1,0,0,0,0|1,0,2]=4 2053 B12R0.248 CCSCCOCCCC(=O)OC 7a_100000212035_100011218270 [0,1,0,0,0,0|1,0,2]=4 2054 B12R0.248 CCSCCOCCNC(=O)OC 34a_100000757965_100000757381 [0,1,0,0,0,0|2,0,1]=4 2055 B12R0.248 CCSCCOCCOC(=O)OC 34a_100010262106_100000757381 [0,1,0,0,0,0|2,0,1]=4 2056 B12R0.248 CCSCCSC/C=C/C(=O)OC 62a_100000742655_100000757381 [0,1,0,0,0,0|1,0,0]=2 2057 B12R0.248 CCSCCSC/C=C/C(=O)OC 62a_100000757381_100000742655 [0,1,0,0,0,0|1,0,0]=2 2058 B12R0.248 CCSCCSCCCC(=O)OC 62a_100000757381_100011218270 [0,1,0,0,0,0|1,0,2]=4 2059 B12R0.248 CCSCCSCCCC(=O)OC 62a_100011218270_100000757381 [0,1,0,0,0,0|1,0,2]=4 2060 B12R0.248 CNC(=O)CCCCCCCCO 240690a_100102657272_100000015970 [0,1,0,0,0,0|1,0,2]=4 2061 B12R0.248 CNC(=O)CNCCCCCCF 2230a_100000693194_100015922095 [0,1,0,0,0,0|2,0,1]=4 2062 B12R0.248 CNC(=O)CNCCCCCCO 2230a_100000686447_100000183359 [0,1,0,0,0,0|2,0,1]=4 2063 B12R0.248 CNC(=O)CNCCCCCCO 2230a_100000693194_100000766143 [0,1,0,0,0,0|2,0,1]=4 2064 B12R0.248 CNC(=O)CNCCCCCCO 34a_100000686447_100000183359 [0,1,0,0,0,0|2,0,1]=4 2065 B12R0.248 CNC(=O)CNCCCCCOC 2230a_100000747528_100000183359 [0,1,0,0,0,0|2,0,1]=4 2066 B12R0.248 CNC(=O)CNCCCCCOC 34a_100000747528_100000183359 [0,1,0,0,0,0|2,0,1]=4 2067 B12R0.248 CNC(=O)COCCCCCCBr 34a_100011215345_100000183359 [0,1,0,0,0,0|2,0,1]=4 2068 B12R0.248 CNC(=O)COCCCCCCBr 7a_100011215345_100000183359 [0,1,0,0,0,0|2,0,1]=4 2069 B12R0.248 CNC(=O)COCCCCCCCl 34a_100000766143_100000183359 [0,1,0,0,0,0|2,0,1]=4 2070 B12R0.248 CNC(=O)COCCCCCCCl 7a_100000766143_100000183359 [0,1,0,0,0,0|2,0,1]=4 2071 B12R0.248 CNC(=O)COCCCCCCF 34a_100000732779_100000183359 [0,1,0,0,0,0|2,0,1]=4 2072 B12R0.248 CNC(=O)COCCCCCCF 34a_100000750040_100015922095 [0,1,0,0,0,0|2,0,1]=4 2073 B12R0.248 CNC(=O)COCCCCCCF 7a_100000732779_100000183359 [0,1,0,0,0,0|2,0,1]=4 2074 B12R0.248 CNC(=O)COCCCCCCN 34a_100000686447_100000183359 [0,1,0,0,0,0|2,0,1]=4 2075 B12R0.248 CNC(=O)COCCCCCCO 34a_100000750040_100000766143 [0,1,0,0,0,0|2,0,1]=4 2076 B12R0.248 CNC(=O)CSCCCCCCF 62a_100000183359_100015922095 [0,1,0,0,0,0|2,0,1]=4 2077 B12R0.248 CNC(=O)CSCCCCCCF 62a_100015922095_100000183359 [0,1,0,0,0,0|2,0,1]=4 2078 B12R0.248 CNC(=O)CSCCCCCCO 62a_100000183359_100000766143 [0,1,0,0,0,0|2,0,1]=4 2079 B12R0.248 CNC(=O)CSCCCCCCO 62a_100000766143_100000183359 [0,1,0,0,0,0|2,0,1]=4 2080 B12R0.248 CNC(=O)NCCCCCCCO 2708a_100011996573_106832991635 [0,1,0,0,0,0|2,0,1]=4 2081 B12R0.248 CNC(=O)NCCCCCCCO 2708a_100102657272_100011996573 [0,1,0,0,0,0|2,0,1]=4 2082 B12R0.248 CNC(=O)NCCCCCCCO 273464a_100011996573_100102657272 [0,1,0,0,0,0|2,0,1]=4 2083 B12R0.248 CNC(=O)NCCCCCCCO 273464a_100102657272_100011996573 [0,1,0,0,0,0|2,0,1]=4 2084 B12R0.248 CNC(=O)NCCCCCCCO 512a_100011996573_100102657272 [0,1,0,0,0,0|2,0,1]=4 2085 B12R0.248 CNC(=O)NCCCCCCCO 512a_106832991638_100011996573 [0,1,0,0,0,0|2,0,1]=4 2086 B12R0.248 CNCCCCCCCC(=O)OC 2230a_106832991635_100010004213 [0,1,0,0,0,0|0,0,2]=3 2087 B12R0.248 CNCCCCCCCC(=O)OC 34a_100102657272_100010004213 [0,1,0,0,0,0|0,0,2]=3 2088 B12R0.248 CNCCCCCCCC(=O)OC 7a_106832991635_100010004213 [0,1,0,0,0,0|0,0,2]=3 2089 B12R0.248 CNCCCCCOCC(=O)NC 34a_100000722520_100000183359 [0,1,0,0,0,0|2,0,1]=4 2090 B12R0.248 CNCCCCCOCC(=O)OC 34a_100000722520_100000747449 [0,1,0,0,0,0|1,0,1]=3 2091 B12R0.248 CNCCCOC/C=C/C(=O)OC 34a_100000213112_100000742655 [0,1,0,0,0,0|1,0,0]=2 2092 B12R0.248 CNCCCOCCCC(=O)OC 34a_100000213112_100000742333 [0,1,0,0,0,0|1,0,2]=4 2093 B12R0.248 CNCCOCCOCC(=O)OC 34a_100000228057_100000747449 [0,1,0,0,0,0|2,0,1]=4 2094 B12R0.248 COC(=O)/C=C/CNCCCCO 2230a_100000750430_100000742655 [0,1,0,0,0,0|1,0,0]=2 2095 B12R0.248 COC(=O)/C=C/CNCCCCO 34a_100000750430_100000742655 [0,1,0,0,0,0|1,0,0]=2 2096 B12R0.248 COC(=O)/C=C/CNCCCSC 2230a_100000749238_100000742655 [0,1,0,0,0,0|1,0,0]=2 2097 B12R0.248 COC(=O)/C=C/COCC#CCCl 34a_200000047223_100000742655 [0,1,0,0,0,0|1,0,2]=4 2098 B12R0.248 COC(=O)/C=C/COCCCCBr 34a_100011216708_100000742655 [0,1,0,0,0,0|1,0,0]=2 2099 B12R0.248 COC(=O)/C=C/COCCCCCl 34a_100000210776_100000742655 [0,1,0,0,0,0|1,0,0]=2 2100 B12R0.248 COC(=O)/C=C/COCCCCCl 7a_100000210776_100000742655 [0,1,0,0,0,0|1,0,0]=2 2101 B12R0.248 COC(=O)/C=C/COCCCCF 34a_100011995726_100000742655 [0,1,0,0,0,0|1,0,0]=2 2102 B12R0.248 COC(=O)/C=C/COCCCCF 7a_100011995726_100000742655 [0,1,0,0,0,0|1,0,0]=2 2103 B12R0.248 COC(=O)/C=C/COCCCCI 34a_200012148704_100000742655 [0,1,0,0,0,0|1,0,0]=2 2104 B12R0.248 COC(=O)/C=C/COCCCCN 34a_100000750430_100000742655 [0,1,0,0,0,0|1,0,0]=2 2105 B12R0.248 COC(=O)/C=C/COCCCSC 34a_100000690336_100000742655 [0,1,0,0,0,0|1,0,0]=2 2106 B12R0.248 COC(=O)/C=C/COCCCSC 7a_100000690336_100000742655 [0,1,0,0,0,0|1,0,0]=2 2107 B12R0.248 COC(=O)/C=C/CSCC#CCO 62a_100000742655_200000047223 [0,1,0,0,0,0|1,0,2]=4 2108 B12R0.248 COC(=O)/C=C/CSCC#CCO 62a_200000047223_100000742655 [0,1,0,0,0,0|1,0,2]=4 2109 B12R0.248 COC(=O)/C=C/CSCCCC#N 62a_100000687738_100000742655 [0,1,0,0,0,0|1,0,1]=3 2110 B12R0.248 COC(=O)/C=C/CSCCCC#N 62a_100000742655_100000687738 [0,1,0,0,0,0|1,0,1]=3 2111 B12R0.248 COC(=O)/C=C/CSCCCC=O 62a_100000742655_200011292268 [0,1,0,0,0,0|1,0,1]=3 2112 B12R0.248 COC(=O)/C=C/CSCCCC=O 62a_200011292268_100000742655 [0,1,0,0,0,0|1,0,1]=3 2113 B12R0.248 COC(=O)/C=C/CSCCCCF 62a_100000729493_100000742655 [0,1,0,0,0,0|1,0,0]=2 2114 B12R0.248 COC(=O)/C=C/CSCCCCF 62a_100000742655_100000729493 [0,1,0,0,0,0|1,0,0]=2 2115 B12R0.248 COC(=O)/C=C/CSCCCCO 62a_100000210776_100000742655 [0,1,0,0,0,0|1,0,0]=2 2116 B12R0.248 COC(=O)/C=C/CSCCCCO 62a_100000742655_100000210776 [0,1,0,0,0,0|1,0,0]=2 2117 B12R0.248 COC(=O)/C=C/CSCCSC#N 62a_100000034367_100000742655 [0,1,0,0,0,0|2,0,1]=4 2118 B12R0.248 COC(=O)/C=C/CSCCSC#N 62a_100000742655_100000034367 [0,1,0,0,0,0|2,0,1]=4 2119 B12R0.248 COC(=O)CCCCCCCO[13CH3] 34a_100011022521_200025704644 [0,1,0,0,0,0|0,0,2]=3 2120 B12R0.248 COC(=O)CCCCCCCO[13CH3] 7a_100011022521_200025704644 [0,1,0,0,0,0|0,0,2]=3 2121 B12R0.248 COC(=O)CCCCCCCSC 62a_100010004213_200000210301 [0,1,0,0,0,0|0,0,2]=3 2122 B12R0.248 COC(=O)CCCCCCCSC 62a_200000210301_100010004213 [0,1,0,0,0,0|0,0,2]=3 2123 B12R0.248 COC(=O)CCCCCCCS[13CH3] 62a_100010004213_200025704644 [0,1,0,0,0,0|0,0,2]=3 2124 B12R0.248 COC(=O)CCCCCCCS[13CH3] 62a_200025704644_100010004213 [0,1,0,0,0,0|0,0,2]=3 2125 B12R0.248 COC(=O)CCCCCCOCF 34a_100009863599_100015361967 [0,1,0,0,0,0|1,0,2]=4 2126 B12R0.248 COC(=O)CCCCCCOCF 7a_100009863599_100015361967 [0,1,0,0,0,0|1,0,2]=4 2127 B12R0.248 COC(=O)CCCCCCSCF 62a_100009815986_100015361967 [0,1,0,0,0,0|1,0,2]=4 2128 B12R0.248 COC(=O)CCCCCCSCF 62a_100015361967_100009815986 [0,1,0,0,0,0|1,0,2]=4 2129 B12R0.248 COC(=O)CCCCCNCCF 34a_100000724931_100009816466 [0,1,0,0,0,0|1,0,2]=4 2130 B12R0.248 COC(=O)CCCCCNCCO 2230a_100016997473_100009816466 [0,1,0,0,0,0|1,0,2]=4 2131 B12R0.248 COC(=O)CCCCCNCCO 34a_100016990907_100009816466 [0,1,0,0,0,0|1,0,2]=4 2132 B12R0.248 COC(=O)CCCCCOCCBr 34a_100000211926_100009816466 [0,1,0,0,0,0|1,0,2]=4 2133 B12R0.248 COC(=O)CCCCCOCCF 34a_100000074720_100011217306 [0,1,0,0,0,0|1,0,2]=4 2134 B12R0.248 COC(=O)CCCCCOCCF 7a_100000074720_100011217306 [0,1,0,0,0,0|1,0,2]=4 2135 B12R0.248 COC(=O)CCCCCOCCN 34a_100000210304_100009816466 [0,1,0,0,0,0|1,0,2]=4 2136 B12R0.248 COC(=O)CCCCCOCCO 34a_100000074720_100000211926 [0,1,0,0,0,0|1,0,2]=4 2137 B12R0.248 COC(=O)CCCCCOCCO 7a_100000074720_100000211926 [0,1,0,0,0,0|1,0,2]=4 2138 B12R0.248 COC(=O)CCCCCOCSC 34a_100000074720_100011218213 [0,1,0,0,0,0|1,0,2]=4 2139 B12R0.248 COC(=O)CCCCCSCCF 62a_100009816466_100011217306 [0,1,0,0,0,0|1,0,2]=4 2140 B12R0.248 COC(=O)CCCCCSCCF 62a_100011217306_100009816466 [0,1,0,0,0,0|1,0,2]=4 2141 B12R0.248 COC(=O)CCCCCSCCO 62a_100000211926_100009816466 [0,1,0,0,0,0|1,0,2]=4 2142 B12R0.248 COC(=O)CCCCCSCCO 62a_100009816466_100000211926 [0,1,0,0,0,0|1,0,2]=4 2143 B12R0.248 COC(=O)CCCCCSCSC 62a_100009816466_100011218213 [0,1,0,0,0,0|1,0,2]=4 2144 B12R0.248 COC(=O)CCCCCSCSC 62a_100011218213_100009816466 [0,1,0,0,0,0|1,0,2]=4 2145 B12R0.248 COC(=O)CCCCNCCCF 2230a_100015189416_100000204269 [0,1,0,0,0,0|1,0,2]=4 2146 B12R0.248 COC(=O)CCCCNCCCF 34a_100015189416_100000204269 [0,1,0,0,0,0|1,0,2]=4 2147 B12R0.248 COC(=O)CCCCNCCSC 2230a_100020590264_100000204269 [0,1,0,0,0,0|1,0,2]=4 2148 B12R0.248 COC(=O)CCCCOCCCBr 34a_100011217188_100000204269 [0,1,0,0,0,0|1,0,2]=4 2149 B12R0.248 COC(=O)CCCCOCCCCl 34a_100000230001_100000204269 [0,1,0,0,0,0|1,0,2]=4 2150 B12R0.248 COC(=O)CCCCOCCCF 34a_100000059025_100011934791 [0,1,0,0,0,0|1,0,2]=4 2151 B12R0.248 COC(=O)CCCCOCCCF 34a_100000759539_100000204269 [0,1,0,0,0,0|1,0,2]=4 2152 B12R0.248 COC(=O)CCCCOCCCF 7a_100000059025_100011934791 [0,1,0,0,0,0|1,0,2]=4 2153 B12R0.248 COC(=O)CCCCOCCCN 34a_100000182051_100000204269 [0,1,0,0,0,0|1,0,2]=4 2154 B12R0.248 COC(=O)CCCCOCCCO 34a_100000059025_100000230001 [0,1,0,0,0,0|1,0,2]=4 2155 B12R0.248 COC(=O)CCCCOCCCO 7a_100000059025_100011215043 [0,1,0,0,0,0|1,0,2]=4 2156 B12R0.248 COC(=O)CCCCOCCSC 34a_100000059025_100000212216 [0,1,0,0,0,0|1,0,2]=4 2157 B12R0.248 COC(=O)CCCCOCCSC 34a_100000230434_100000204269 [0,1,0,0,0,0|1,0,2]=4 2158 B12R0.248 COC(=O)CCCCOCCSC 7a_100000059025_100000212216 [0,1,0,0,0,0|1,0,2]=4 2159 B12R0.248 COC(=O)CCCCOCCSC 7a_100000230434_100000204269 [0,1,0,0,0,0|1,0,2]=4 2160 B12R0.248 COC(=O)CCCCSCCCF 62a_100000204269_100011934791 [0,1,0,0,0,0|1,0,2]=4 2161 B12R0.248 COC(=O)CCCCSCCCF 62a_100011934791_100000204269 [0,1,0,0,0,0|1,0,2]=4 2162 B12R0.248 COC(=O)CCCCSCCCO 62a_100000204269_100011215043 [0,1,0,0,0,0|1,0,2]=4 2163 B12R0.248 COC(=O)CCCCSCCCO 62a_100011215043_100000204269 [0,1,0,0,0,0|1,0,2]=4 2164 B12R0.248 COC(=O)CCCCSCCSC 62a_100000204269_100000751147 [0,1,0,0,0,0|1,0,2]=4 2165 B12R0.248 COC(=O)CCCCSCCSC 62a_100000212216_100000204269 [0,1,0,0,0,0|1,0,2]=4 2166 B12R0.248 COC(=O)CCCNCCCCO 2230a_100000750430_100011218270 [0,1,0,0,0,0|1,0,2]=4 2167 B12R0.248 COC(=O)CCCNCCCCO 34a_100000750430_100000742333 [0,1,0,0,0,0|1,0,2]=4 2168 B12R0.248 COC(=O)CCCNCCCSC 2230a_100000749238_100011218270 [0,1,0,0,0,0|1,0,2]=4 2169 B12R0.248 COC(=O)CCCOCCCCBr 34a_100011216708_100000742333 [0,1,0,0,0,0|1,0,2]=4 2170 B12R0.248 COC(=O)CCCOCCCCCl 34a_100000210776_100000742333 [0,1,0,0,0,0|1,0,2]=4 2171 B12R0.248 COC(=O)CCCOCCCCCl 7a_100000210776_100011218270 [0,1,0,0,0,0|1,0,2]=4 2172 B12R0.248 COC(=O)CCCOCCCCF 34a_100011995726_100000742333 [0,1,0,0,0,0|1,0,2]=4 2173 B12R0.248 COC(=O)CCCOCCCCF 7a_100011995726_100011218270 [0,1,0,0,0,0|1,0,2]=4 2174 B12R0.248 COC(=O)CCCOCCCCI 34a_200012148704_100000742333 [0,1,0,0,0,0|1,0,2]=4 2175 B12R0.248 COC(=O)CCCOCCCCN 34a_100000750430_100000742333 [0,1,0,0,0,0|1,0,2]=4 2176 B12R0.248 COC(=O)CCCOCCCSC 34a_100000690336_100000742333 [0,1,0,0,0,0|1,0,2]=4 2177 B12R0.248 COC(=O)CCCOCCCSC 7a_100000690336_100011218270 [0,1,0,0,0,0|1,0,2]=4 2178 B12R0.248 COC(=O)CCCSCCCCF 62a_100000729493_100011218270 [0,1,0,0,0,0|1,0,2]=4 2179 B12R0.248 COC(=O)CCCSCCCCF 62a_100011218270_100000729493 [0,1,0,0,0,0|1,0,2]=4 2180 B12R0.248 COC(=O)CCCSCCCCO 62a_100000210776_100011218270 [0,1,0,0,0,0|1,0,2]=4 2181 B12R0.248 COC(=O)CCCSCCCCO 62a_100011218270_100000210776 [0,1,0,0,0,0|1,0,2]=4 2182 B12R0.248 COC(=O)CCNCCCCCO 2230a_100000762737_100000204255 [0,1,0,0,0,0|1,0,2]=4 2183 B12R0.248 COC(=O)CCNCCCCCO 34a_100000762737_100000742370 [0,1,0,0,0,0|1,0,2]=4 2184 B12R0.248 COC(=O)CCOCCCCCBr 34a_100000746331_100000742370 [0,1,0,0,0,0|1,0,2]=4 2185 B12R0.248 COC(=O)CCOCCCCCBr 7a_100000746331_100000204255 [0,1,0,0,0,0|1,0,2]=4 2186 B12R0.248 COC(=O)CCOCCCCCCl 34a_100000746330_100000742370 [0,1,0,0,0,0|1,0,2]=4 2187 B12R0.248 COC(=O)CCOCCCCCCl 7a_100000746330_100000204255 [0,1,0,0,0,0|1,0,2]=4 2188 B12R0.248 COC(=O)CCOCCCCCI 34a_200012148887_100000742370 [0,1,0,0,0,0|1,0,2]=4 2189 B12R0.248 COC(=O)CCOCCCCCI 7a_200012148887_100000204255 [0,1,0,0,0,0|1,0,2]=4 2190 B12R0.248 COC(=O)CCOCCCCCN 34a_100000762737_100000742370 [0,1,0,0,0,0|1,0,2]=4 2191 B12R0.248 COC(=O)CCOCCCCSC 34a_100011217163_100000742370 [0,1,0,0,0,0|1,0,2]=4 2192 B12R0.248 COC(=O)CCOCCCCSC 7a_100011217163_100000204255 [0,1,0,0,0,0|1,0,2]=4 2193 B12R0.248 COC(=O)CCSCCCCCF 62a_100000204255_100000729378 [0,1,0,0,0,0|1,0,2]=4 2194 B12R0.248 COC(=O)CCSCCCCCF 62a_100000729378_100000204255 [0,1,0,0,0,0|1,0,2]=4 2195 B12R0.248 COC(=O)CCSCCCCCO 62a_100000204255_100000746330 [0,1,0,0,0,0|1,0,2]=4 2196 B12R0.248 COC(=O)CCSCCCCCO 62a_100000746330_100000204255 [0,1,0,0,0,0|1,0,2]=4 2197 B12R0.248 COC(=O)CNCCCCCCO 2230a_100000686447_100000747449 [0,1,0,0,0,0|1,0,1]=3 2198 B12R0.248 COC(=O)CNCCCCCCO 34a_100000686447_100000747449 [0,1,0,0,0,0|1,0,1]=3 2199 B12R0.248 COC(=O)COCCCCCCBr 34a_100011215345_100000747449 [0,1,0,0,0,0|1,0,1]=3 2200 B12R0.248 COC(=O)COCCCCCCBr 7a_100011215345_100000747449 [0,1,0,0,0,0|1,0,1]=3 2201 B12R0.248 COC(=O)COCCCCCCCl 34a_100000766143_100000747449 [0,1,0,0,0,0|1,0,1]=3 2202 B12R0.248 COC(=O)COCCCCCCCl 7a_100000766143_100000747449 [0,1,0,0,0,0|1,0,1]=3 2203 B12R0.248 COC(=O)COCCCCCCF 34a_100000732779_100000747449 [0,1,0,0,0,0|1,0,1]=3 2204 B12R0.248 COC(=O)COCCCCCCF 7a_100000732779_100000747449 [0,1,0,0,0,0|1,0,1]=3 2205 B12R0.248 COC(=O)COCCCCCCN 34a_100000686447_100000747449 [0,1,0,0,0,0|1,0,1]=3 2206 B12R0.248 COC(=O)COCCNCCCF 2230a_100015189416_100000090808 [0,1,0,0,0,0|2,0,1]=4 2207 B12R0.248 COC(=O)COCCNCCCF 34a_100015189416_100000090808 [0,1,0,0,0,0|2,0,1]=4 2208 B12R0.248 COC(=O)COCCNCCSC 2230a_100020590264_100000090808 [0,1,0,0,0,0|2,0,1]=4 2209 B12R0.248 COC(=O)COCCOCCCBr 34a_100011217188_100000090808 [0,1,0,0,0,0|2,0,1]=4 2210 B12R0.248 COC(=O)COCCOCCCCl 34a_100000230001_100000090808 [0,1,0,0,0,0|2,0,1]=4 2211 B12R0.248 COC(=O)COCCOCCCF 34a_100000759539_100000090808 [0,1,0,0,0,0|2,0,1]=4 2212 B12R0.248 COC(=O)COCCOCCCN 34a_100000182051_100000090808 [0,1,0,0,0,0|2,0,1]=4 2213 B12R0.248 COC(=O)COCCOCCO[13CH3] 34a_100011023656_200025704644 [0,1,0,0,0,0|2,0,1]=4 2214 B12R0.248 COC(=O)COCCOCCO[13CH3] 7a_100011023656_200025704644 [0,1,0,0,0,0|2,0,1]=4 2215 B12R0.248 COC(=O)COCCOCCSC 34a_100000230434_100000090808 [0,1,0,0,0,0|2,0,1]=4 2216 B12R0.248 COC(=O)COCCOCCSC 7a_100000230434_100000090808 [0,1,0,0,0,0|2,0,1]=4 2217 B12R0.248 COC(=O)COCCSCCCF 62a_100000090808_100011934791 [0,1,0,0,0,0|2,0,1]=4 2218 B12R0.248 COC(=O)COCCSCCCF 62a_100011934791_100000090808 [0,1,0,0,0,0|2,0,1]=4 2219 B12R0.248 COC(=O)COCCSCCCO 62a_100000090808_100011215043 [0,1,0,0,0,0|2,0,1]=4 2220 B12R0.248 COC(=O)COCCSCCCO 62a_100011215043_100000090808 [0,1,0,0,0,0|2,0,1]=4 2221 B12R0.248 COC(=O)COCCSCCSC 62a_100000090808_100000751147 [0,1,0,0,0,0|2,0,1]=4 2222 B12R0.248 COC(=O)COCCSCCSC 62a_100000212216_100000090808 [0,1,0,0,0,0|2,0,1]=4 2223 B12R0.248 COC(=O)CSCCCCCC#N 62a_100000747449_100009813376 [0,1,0,0,0,0|1,0,2]=4 2224 B12R0.248 COC(=O)CSCCCCCC#N 62a_100009813376_100000747449 [0,1,0,0,0,0|1,0,2]=4 2225 B12R0.248 COC(=O)CSCCCCCC=O 62a_100000139337_100000747449 [0,1,0,0,0,0|1,0,2]=4 2226 B12R0.248 COC(=O)CSCCCCCC=O 62a_100000747449_100000139337 [0,1,0,0,0,0|1,0,2]=4 2227 B12R0.248 COC(=O)CSCCCCCCF 62a_100000747449_100015922095 [0,1,0,0,0,0|1,0,1]=3 2228 B12R0.248 COC(=O)CSCCCCCCF 62a_100015922095_100000747449 [0,1,0,0,0,0|1,0,1]=3 2229 B12R0.248 COC(=O)CSCCCCCCO 62a_100000747449_100000766143 [0,1,0,0,0,0|1,0,1]=3 2230 B12R0.248 COC(=O)CSCCCCCCO 62a_100000766143_100000747449 [0,1,0,0,0,0|1,0,1]=3 2231 B12R0.248 COC(=O)NCCOCCCCF 34a_100000757965_100000729493 [0,1,0,0,0,0|2,0,1]=4 2232 B12R0.248 COC(=O)NCCOCCCCO 34a_100000757965_100011216708 [0,1,0,0,0,0|2,0,1]=4 2233 B12R0.248 COC(=O)OCCOCCCCF 34a_100010262106_100000729493 [0,1,0,0,0,0|2,0,1]=4 2234 B12R0.248 COC(=O)OCCOCCCCO 34a_100010262106_100011216708 [0,1,0,0,0,0|2,0,1]=4 2235 B12R0.248 COC(=O)OCSCCCCCF 62a_100000729378_100000139417 [0,1,0,0,0,0|2,0,1]=4 2236 B12R0.248 COC(=O)OCSCCCCCO 62a_100000746330_100000139417 [0,1,0,0,0,0|2,0,1]=4 2237 B12R0.248 COCCCCCCCC(=O)OC 34a_100011022521_200000210301 [0,1,0,0,0,0|0,0,2]=3 2238 B12R0.248 COCCCCCCCC(=O)OC 34a_100138415774_100010004213 [0,1,0,0,0,0|0,0,2]=3 2239 B12R0.248 COCCCCCCCC(=O)OC 7a_100011022521_200000210301 [0,1,0,0,0,0|0,0,2]=3 2240 B12R0.248 COCCCCCNCC(=O)OC 2230a_100000747528_100000747449 [0,1,0,0,0,0|1,0,1]=3 2241 B12R0.248 COCCCCCNCC(=O)OC 34a_100000747528_100000747449 [0,1,0,0,0,0|1,0,1]=3 2242 B12R0.248 COCCCCOCCC(=O)OC 34a_100000740925_100000742370 [0,1,0,0,0,0|1,0,2]=4 2243 B12R0.248 COCCCCSCCC(=O)OC 62a_100000204255_100000730899 [0,1,0,0,0,0|1,0,2]=4 2244 B12R0.248 COCCCCSCCC(=O)OC 62a_100000730899_100000204255 [0,1,0,0,0,0|1,0,2]=4 2245 B12R0.248 COCCCCSCOC(=O)OC 62a_100000730899_100000139417 [0,1,0,0,0,0|2,0,1]=4 2246 B12R0.248 COCCCNC/C=C/C(=O)OC 34a_100150723488_100000742655 [0,1,0,0,0,0|1,0,0]=2 2247 B12R0.248 COCCCNCCCC(=O)OC 34a_100150723488_100000742333 [0,1,0,0,0,0|1,0,2]=4 2248 B12R0.248 COCCCOC/C=C/C(=O)OC 34a_100000740835_100000742655 [0,1,0,0,0,0|1,0,0]=2 2249 B12R0.248 COCCCOCCCC(=O)OC 34a_100000740835_100000742333 [0,1,0,0,0,0|1,0,2]=4 2250 B12R0.248 COCCCOCCNC(=O)OC 34a_100000757965_100000740836 [0,1,0,0,0,0|2,0,1]=4 2251 B12R0.248 COCCCOCCOC(=O)OC 34a_100010262106_100000740836 [0,1,0,0,0,0|2,0,1]=4 2252 B12R0.248 COCCCSC/C=C/C(=O)OC 62a_100000709357_100000742655 [0,1,0,0,0,0|1,0,0]=2 2253 B12R0.248 COCCCSC/C=C/C(=O)OC 62a_100000742655_100000709357 [0,1,0,0,0,0|1,0,0]=2 2254 B12R0.248 COCCCSCCCC(=O)OC 62a_100000709357_100011218270 [0,1,0,0,0,0|1,0,2]=4 2255 B12R0.248 COCCCSCCCC(=O)OC 62a_100011218270_100000709357 [0,1,0,0,0,0|1,0,2]=4 2256 B12R0.248 COCCNCCCCC(=O)OC 2230a_100000209980_100000204269 [0,1,0,0,0,0|1,0,2]=4 2257 B12R0.248 COCCNCCOCC(=O)OC 2230a_100000209980_100000090808 [0,1,0,0,0,0|2,0,1]=4 2258 B12R0.248 COCCOCCCCC(=O)OC 34a_100000059025_100011201679 [0,1,0,0,0,0|1,0,2]=4 2259 B12R0.248 COCCOCCCCC(=O)OC 34a_100000210237_100000204269 [0,1,0,0,0,0|1,0,2]=4 2260 B12R0.248 COCCOCCCCC(=O)OC 7a_100000059025_100000233755 [0,1,0,0,0,0|1,0,2]=4 2261 B12R0.248 COCCOCCNCC(=O)OC 2230a_100000745349_100000747449 [0,1,0,0,0,0|2,0,1]=4 2262 B12R0.248 COCCOCCNCC(=O)OC 34a_100000745349_100000747449 [0,1,0,0,0,0|2,0,1]=4 2263 B12R0.248 COCCOCCOCC(=O)OC 34a_100000210237_100000090808 [0,1,0,0,0,0|2,0,1]=4 2264 B12R0.248 COCCOCCOCC(=O)OC 34a_100011023656_200000210301 [0,1,0,0,0,0|2,0,1]=4 2265 B12R0.248 COCCOCCOCC(=O)OC 34a_100011215163_100000747449 [0,1,0,0,0,0|2,0,1]=4 2266 B12R0.248 COCCOCCOCC(=O)OC 7a_100011023656_200000210301 [0,1,0,0,0,0|2,0,1]=4 2267 B12R0.248 COCCOCCOCC(=O)OC 7a_100011215163_100000747449 [0,1,0,0,0,0|2,0,1]=4 2268 B12R0.248 COCCOCCSCC(=O)OC 62a_100000695917_100000747449 [0,1,0,0,0,0|2,0,1]=4 2269 B12R0.248 COCCOCCSCC(=O)OC 62a_100000747449_100000695917 [0,1,0,0,0,0|2,0,1]=4 2270 B12R0.248 COCCSCCCCC(=O)OC 62a_100000204269_100000233755 [0,1,0,0,0,0|1,0,2]=4 2271 B12R0.248 COCCSCCCCC(=O)OC 62a_100000233755_100000204269 [0,1,0,0,0,0|1,0,2]=4 2272 B12R0.248 COCCSCCOCC(=O)OC 62a_100000090808_100000233755 [0,1,0,0,0,0|2,0,1]=4 2273 B12R0.248 COCCSCCOCC(=O)OC 62a_100000233755_100000090808 [0,1,0,0,0,0|2,0,1]=4 2274 B12R0.248 COCSCCCCCC(=O)OC 62a_100000766300_100009816466 [0,1,0,0,0,0|1,0,2]=4 2275 B12R0.248 COCSCCCCCC(=O)OC 62a_100009816466_100000766300 [0,1,0,0,0,0|1,0,2]=4 2276 B12R0.251 C=C(C)C(=O)CCCCCCCC 1458a_100000185857_100000210759 [0,1,0,0,0,0|1,0,2]=4 2277 B12R0.251 C=C(C)C(=O)NCCCCCCC 11a_100000229938_100000185857 [0,1,0,0,0,0|2,0,1]=4 2278 B12R0.251 C=C(C)C(=O)NCCCCCCC 1626a_100000229938_100000185857 [0,1,0,0,0,0|2,0,1]=4 2279 B12R0.251 CCCCC/C=C/CC(=O)C(C)C 1458a_100020675968_100000210206 [0,1,0,0,0,0|1,0,2]=4 2280 B12R0.251 CCCCC/C=C/CC(=O)N(C)C 11a_100102631434_100020675968 [0,1,0,0,0,0|1,0,2]=4 2281 B12R0.251 CCCCC/C=C/CC(=O)N(C)C 1626a_100102631434_100020675968 [0,1,0,0,0,0|1,0,2]=4 2282 B12R0.251 CCCCC/C=C/CC(=O)N(C)C 240690a_100102631434_100020675968 [0,1,0,0,0,0|1,0,2]=4 2283 B12R0.251 CCCCCCC=CC(=O)C(C)C 1458a_200015324643_100000210206 [0,1,0,0,0,0|1,0,0]=2 2284 B12R0.251 CCCCCCC=CC(=O)N(C)C 11a_100102631434_200015324643 [0,1,0,0,0,0|1,0,0]=2 2285 B12R0.251 CCCCCCC=CC(=O)N(C)C 1626a_100102631434_200015324643 [0,1,0,0,0,0|1,0,0]=2 2286 B12R0.251 CCCCCCC=CC(=O)N(C)C 240690a_100102631434_200015324643 [0,1,0,0,0,0|1,0,0]=2 2287 B12R0.251 CCCCCCCCC(=O)C(C)C 1458a_100000210188_100000210206 [0,1,0,0,0,0|1,0,2]=4 2288 B12R0.251 CCCCCCCCC(=O)C(C)C 1458a_100000210198_100000210759 [0,1,0,0,0,0|1,0,2]=4 2289 B12R0.251 CCCCCCCCC(=O)C(C)F 1458a_100000062450_100000210759 [0,1,0,0,0,0|1,0,2]=4 2290 B12R0.251 CCCCCCCCC(=O)N(C)C 11a_100102631434_100000210188 [0,1,0,0,0,0|1,0,2]=4 2291 B12R0.251 CCCCCCCCC(=O)N(C)C 1626a_100102631434_100000210188 [0,1,0,0,0,0|1,0,2]=4 2292 B12R0.251 CCCCCCCCC(=O)N(C)C 240690a_100102631434_100000210188 [0,1,0,0,0,0|1,0,2]=4 2293 B12R0.251 CCCCCCCCC(=O)N(C)C 527a_100102631434_100000210188 [0,1,0,0,0,0|1,0,2]=4 2294 B12R0.251 CCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210759 [0,1,0,0,0,0|1,0,2]=4 2295 B12R0.251 CCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210759 [0,1,0,0,0,0|1,0,2]=4 2296 B12R0.251 CCCCCCCNC(=O)C(C)C 11a_100000229938_100000210198 [0,1,0,0,0,0|2,0,1]=4 2297 B12R0.251 CCCCCCCNC(=O)C(C)C 1626a_100000229938_100000210198 [0,1,0,0,0,0|2,0,1]=4 2298 B12R0.251 CCCCCCCNC(=O)C(C)C 240690a_100000229938_100000210198 [0,1,0,0,0,0|2,0,1]=4 2299 B12R0.251 CCCCCCCNC(=O)C(C)C 527a_100000229938_100000210198 [0,1,0,0,0,0|2,0,1]=4 2300 B12R0.251 CCCCCCCNC(=O)C(C)F 11a_100000229938_100000062450 [0,1,0,0,0,0|2,0,1]=4 2301 B12R0.251 CCCCCCCNC(=O)C(C)F 1626a_100000229938_100000062450 [0,1,0,0,0,0|2,0,1]=4 2302 B12R0.251 CCCCCCCNC(=O)C(C)F 240690a_100000229938_100000062450 [0,1,0,0,0,0|2,0,1]=4 2303 B12R0.251 CCCCCCCNC(=O)C(C)F 527a_100000229938_100000062450 [0,1,0,0,0,0|2,0,1]=4 2304 B12R0.251 CCCCCCCNC(=O)N(C)C 2708a_100000229938_100102631434 [0,1,0,0,0,0|2,0,1]=4 2305 B12R0.251 CCCCCCCNC(=O)[C@@H](C)O 240690a_100000229938_100000717761 [0,1,0,0,0,0|2,0,1]=4 2306 B12R0.251 CCCCCCCNC(=O)[C@H](C)O 1626a_100000229938_217856618621 [0,1,0,0,0,0|2,0,1]=4 2307 B12R0.251 CCCCCCCNC(=O)[C@H](C)O 240690a_100000229938_217856618621 [0,1,0,0,0,0|2,0,1]=4 2308 B12R0.251 CCCCCCNCC(=O)C(C)C 2230a_100000210581_100000753385 [0,1,0,0,0,0|2,0,1]=4 2309 B12R0.251 CCCCCCNCC(=O)N(C)C 2230a_100000210581_100000185267 [0,1,0,0,0,0|2,0,1]=4 2310 B12R0.251 CCCCCCNCC(=O)N(C)C 2230a_100015183351_100000210314 [0,1,0,0,0,0|2,0,1]=4 2311 B12R0.251 CCCCCCOCC(=O)C(=O)C 34a_100000210259_100011261029 [0,1,0,0,0,0|2,0,1]=4 2312 B12R0.251 CCCCCCOCC(=O)C(C)C 34a_100000210259_100000753385 [0,1,0,0,0,0|2,0,1]=4 2313 B12R0.251 CCCCCCOCC(=O)C(C)C 7a_100000210259_100000753385 [0,1,0,0,0,0|2,0,1]=4 2314 B12R0.251 CCCCCCOCC(=O)N(C)C 34a_100000210259_100000692301 [0,1,0,0,0,0|2,0,1]=4 2315 B12R0.251 CCCCCCOCC(=O)N(C)C 7a_100000210259_100000692301 [0,1,0,0,0,0|2,0,1]=4 2316 B12R0.251 CCCCCCSCC(=O)C(=O)C 62a_100000210314_100011261029 [0,1,0,0,0,0|2,0,1]=4 2317 B12R0.251 CCCCCCSCC(=O)C(=O)C 62a_100011261029_100000210757 [0,1,0,0,0,0|2,0,1]=4 2318 B12R0.251 CCCCCCSCC(=O)C(C)C 62a_100000210314_100000753385 [0,1,0,0,0,0|2,0,1]=4 2319 B12R0.251 CCCCCCSCC(=O)C(C)C 62a_100000753385_100000210757 [0,1,0,0,0,0|2,0,1]=4 2320 B12R0.251 CCCCCCSCC(=O)N(C)C 62a_100000210314_100000692301 [0,1,0,0,0,0|2,0,1]=4 2321 B12R0.251 CCCCCCSCC(=O)N(C)C 62a_100000692301_100000210757 [0,1,0,0,0,0|2,0,1]=4 2322 B12R0.276 C#CCC(C)OC/C=C/C(=O)OC 34a_100000685586_100000742655 [0,1,0,0,0,0|1,0,2]=4 2323 B12R0.276 C#CCC(C)OC/C=C/C(=O)OC 7a_100000685586_100000742655 [0,1,0,0,0,0|1,0,2]=4 2324 B12R0.276 C/C=C/C(C)OC/C=C/C(=O)OC 34a_200102604097_100000742655 [0,1,0,0,0,0|1,0,2]=4 2325 B12R0.276 C=CC[C@@H](C)OC/C=C/C(=O)OC 34a_100000731007_100000742655 [0,1,0,0,0,0|1,0,2]=4 2326 B12R0.276 C=CC[C@@H](C)OC/C=C/C(=O)OC 7a_100000731007_100000742655 [0,1,0,0,0,0|1,0,2]=4 2327 B12R0.276 CC#CC(C)OC/C=C/C(=O)OC 34a_100011216543_100000742655 [0,1,0,0,0,0|1,0,2]=4 2328 B12R0.276 CCCC(=O)CCCCC(=O)OC 1458a_100000211992_100000204269 [0,1,0,0,0,0|0,0,3]=4 2329 B12R0.276 CCCC(=O)CCCCC(=O)OC 1458a_100000695723_100000210303 [0,1,0,0,0,0|0,0,3]=4 2330 B12R0.276 CCCC(=O)CCCNC(=O)OC 1458a_100000753017_100000210303 [0,1,0,0,0,0|1,0,2]=4 2331 B12R0.276 CCCC(=O)CCOCC(=O)OC 1458a_100000211992_100000090808 [0,1,0,0,0,0|1,0,2]=4 2332 B12R0.276 CCCC(C)CCOCC(=O)CC 7a_100011217855_100000747405 [0,1,0,0,0,0|2,0,1]=4 2333 B12R0.276 CCCC(C)CCOCC(=O)NC 34a_100011217855_100000183359 [0,1,0,0,0,0|2,0,1]=4 2334 B12R0.276 CCCC(C)CCOCC(=O)NC 7a_100011217855_100000183359 [0,1,0,0,0,0|2,0,1]=4 2335 B12R0.276 CCCC(C)CCOCC(=O)OC 34a_100011217855_100000747449 [0,1,0,0,0,0|1,0,1]=3 2336 B12R0.276 CCCC(C)CCOCC(=O)OC 7a_100011217855_100000747449 [0,1,0,0,0,0|1,0,1]=3 2337 B12R0.276 CCCC(C)COCCC(=O)OC 34a_100000688023_100000742370 [0,1,0,0,0,0|1,0,2]=4 2338 B12R0.276 CCCC(C)COCCC(=O)OC 7a_100000688023_100000204255 [0,1,0,0,0,0|1,0,2]=4 2339 B12R0.276 CCCC(C)CSCCC(=O)OC 62a_100000204255_100011216630 [0,1,0,0,0,0|1,0,2]=4 2340 B12R0.276 CCCC(C)CSCCC(=O)OC 62a_100011216630_100000204255 [0,1,0,0,0,0|1,0,2]=4 2341 B12R0.276 CCCC(C)CSCOC(=O)OC 62a_100011216630_100000139417 [0,1,0,0,0,0|2,0,1]=4 2342 B12R0.276 CCCC(C)NC/C=C/C(=O)OC 2230a_100000741246_100000742655 [0,1,0,0,0,0|1,0,0]=2 2343 B12R0.276 CCCC(C)NCCCC(=O)OC 2230a_100000741246_100011218270 [0,1,0,0,0,0|1,0,2]=4 2344 B12R0.276 CCCC(C)OC/C=C/C(=O)OC 34a_100000764384_100000742655 [0,1,0,0,0,0|1,0,0]=2 2345 B12R0.276 CCCC(C)OC/C=C/C(=O)OC 7a_100000764384_100000742655 [0,1,0,0,0,0|1,0,0]=2 2346 B12R0.276 CCCC(C)OCCCC(=O)OC 34a_100000764384_100000742333 [0,1,0,0,0,0|1,0,2]=4 2347 B12R0.276 CCCC(C)OCCCC(=O)OC 7a_100000764384_100011218270 [0,1,0,0,0,0|1,0,2]=4 2348 B12R0.276 CCCC(C)OCCNC(=O)OC 34a_100000757965_100000766640 [0,1,0,0,0,0|2,0,1]=4 2349 B12R0.276 CCCC(C)OCCOC(=O)OC 34a_100010262106_100000766640 [0,1,0,0,0,0|2,0,1]=4 2350 B12R0.276 CCCC(C)SC/C=C/C(=O)OC 62a_100000742655_100000766640 [0,1,0,0,0,0|1,0,0]=2 2351 B12R0.276 CCCC(C)SC/C=C/C(=O)OC 62a_100000766640_100000742655 [0,1,0,0,0,0|1,0,0]=2 2352 B12R0.276 CCCC(C)SCCCC(=O)OC 62a_100000766640_100011218270 [0,1,0,0,0,0|1,0,2]=4 2353 B12R0.276 CCCC(C)SCCCC(=O)OC 62a_100011218270_100000766640 [0,1,0,0,0,0|1,0,2]=4 2354 B12R0.276 CCCN(C)CCCCC(=O)OC 2230a_100000747261_100000204269 [0,1,0,0,0,0|1,0,2]=4 2355 B12R0.276 CCCN(C)CCCCC(=O)OC 269982a_100000747261_100000204269 [0,1,0,0,0,0|1,0,2]=4 2356 B12R0.276 CCCN(C)CCOCC(=O)OC 2230a_100000747261_100000090808 [0,1,0,0,0,0|2,0,1]=4 2357 B12R0.276 CCC[C@H](N)CCOCC(=O)NC 34a_100015193777_100000183359 [0,1,0,0,0,0|2,0,1]=4 2358 B12R0.276 CCC[C@H](N)CCOCC(=O)OC 34a_100015193777_100000747449 [0,1,0,0,0,0|1,0,1]=3 2359 B12R0.276 CCC[C@H](N)COCCC(=O)OC 34a_100000732646_100000742370 [0,1,0,0,0,0|1,0,2]=4 2360 B12R0.276 COC(=O)/C=C/CN[C@@H](C)CC#N 2230a_100016994482_100000742655 [0,1,0,0,0,0|2,0,1]=4 2361 B12R0.276 COC(=O)/C=C/CN[C@H](C)CCO 2230a_100000706166_100000742655 [0,1,0,0,0,0|2,0,0]=3 2362 B12R0.276 COC(=O)/C=C/CN[C@H](C)CCO 34a_100000706166_100000742655 [0,1,0,0,0,0|2,0,0]=3 2363 B12R0.276 COC(=O)/C=C/COC(C)CCBr 34a_100012276601_100000742655 [0,1,0,0,0,0|2,0,0]=3 2364 B12R0.276 COC(=O)/C=C/CSC(C)CC#N 62a_100000742655_100009813641 [0,1,0,0,0,0|2,0,1]=4 2365 B12R0.276 COC(=O)/C=C/CSC(C)CC#N 62a_100009813641_100000742655 [0,1,0,0,0,0|2,0,1]=4 2366 B12R0.276 COC(=O)/C=C/CSC(C)CCO 62a_100000742655_100009893172 [0,1,0,0,0,0|2,0,0]=3 2367 B12R0.276 COC(=O)/C=C/CSC(C)CCO 62a_100009893172_100000742655 [0,1,0,0,0,0|2,0,0]=3 2368 B12R0.276 COC(=O)C=NNCC(O)CSC 4a_200000122717_200011823558 [0,1,0,0,0,0|3,0,0]=4 2369 B12R0.276 COCC(C)SC/C=C/C(=O)OC 62a_100000742655_100000765312 [0,1,0,0,0,0|2,0,0]=3 2370 B12R0.276 COCC(C)SC/C=C/C(=O)OC 62a_100000765312_100000742655 [0,1,0,0,0,0|2,0,0]=3 2371 B12R0.276 COC[C@@H](C)NC/C=C/C(=O)OC 2230a_100000764878_100000742655 [0,1,0,0,0,0|2,0,0]=3 2372 B12R0.276 COC[C@@H](C)OC/C=C/C(=O)OC 34a_100011934205_100000742655 [0,1,0,0,0,0|2,0,0]=3 2373 B12R1.7 C#CCCNCC1=CC(=O)OC1 34a_100000755551_100000716558 [0,0,0,1,0,0|1,0,2]=4 2374 B12R1.7 C#CCCOCC1=CC(=O)OC1 34a_100011215631_100000716558 [0,0,0,1,0,0|1,0,2]=4 2375 B12R1.7 C#CCCSCC1=CC(=O)OC1 62a_100000688953_100000716558 [0,0,0,1,0,0|1,0,2]=4 2376 B12R1.7 C#CCCSCC1=CC(=O)OC1 62a_100000716558_100000688953 [0,0,0,1,0,0|1,0,2]=4 2377 B12R1.7 C/C=C/COCC1=CC(=O)OC1 34a_100016270725_100000716558 [0,0,0,1,0,0|1,0,2]=4 2378 B12R1.7 C/C=C/CSCC1=CC(=O)OC1 62a_100000716558_100102629194 [0,0,0,1,0,0|1,0,2]=4 2379 B12R1.7 C/C=C/CSCC1=CC(=O)OC1 62a_100102629194_100000716558 [0,0,0,1,0,0|1,0,2]=4 2380 B12R1.7 C=CCCOCC1=CC(=O)OC1 34a_100011205117_100000716558 [0,0,0,1,0,0|1,0,2]=4 2381 B12R1.7 C=CCCSCC1=CC(=O)OC1 62a_100000716558_100000754431 [0,0,0,1,0,0|1,0,2]=4 2382 B12R1.7 C=CCCSCC1=CC(=O)OC1 62a_100000754431_100000716558 [0,0,0,1,0,0|1,0,2]=4 2383 B12R1.7 CC#CCNCC1=CC(=O)OC1 34a_100000685387_100000716558 [0,0,0,1,0,0|1,0,2]=4 2384 B12R1.7 CC#CCOCC1=CC(=O)OC1 34a_100000761923_100000716558 [0,0,0,1,0,0|1,0,2]=4 2385 B12R1.7 CC#CCSCC1=CC(=O)OC1 62a_100000716558_100000748600 [0,0,0,1,0,0|1,0,2]=4 2386 B12R1.7 CC#CCSCC1=CC(=O)OC1 62a_100000748600_100000716558 [0,0,0,1,0,0|1,0,2]=4 2387 B12R1.7 CC=CCSCC1=CC(=O)OC1 62a_100000070051_100000716558 [0,0,0,1,0,0|1,0,2]=4 2388 B12R1.7 CC=CCSCC1=CC(=O)OC1 62a_100000716558_100000070051 [0,0,0,1,0,0|1,0,2]=4 2389 B12R1.7 CCCCCCN1CNC(=O)C1 2230a_200000708111_100000210314 [0,0,0,1,0,0|2,0,1]=4 2390 B12R1.7 CCCCCCc1noc(n1)C 270196a_100011218096_100000070787 [0,0,0,1,0,0|3,0,0]=4 2391 B12R1.7 CCCCCCc1noc(n1)O 270196a_100011218096_100015183105 [0,0,0,1,0,0|2,0,1]=4 2392 B12R1.7 CCCCCOC1COC(=O)O1 34a_100000210253_100000032252 [0,0,0,1,0,0|2,0,1]=4 2393 B12R1.7 CCCCCSC1COC(=O)O1 62a_100000210326_100000032252 [0,0,0,1,0,0|2,0,1]=4 2394 B12R1.7 CCCCCSc1cc(on1)C 62a_100000210326_100000716708 [0,0,0,1,0,0|3,0,0]=4 2395 B12R1.7 CCCCCSc1cc(on1)C 62a_100000716708_100000210326 [0,0,0,1,0,0|3,0,0]=4 2396 B12R1.7 CCCCNC[C@H]1COC(=O)N1 2230a_100000102301_100015307671 [0,0,0,1,0,0|2,0,1]=4 2397 B12R1.7 CCCCNC[C@H]1COC(=O)N1 7a_106832991798_100015307671 [0,0,0,1,0,0|2,0,1]=4 2398 B12R1.7 CCCCNCc1cc(on1)C 207a_100000102301_100011217994 [0,0,0,1,0,0|3,0,0]=4 2399 B12R1.7 CCCCNCc1cc(on1)C 2230a_100000102301_100000199038 [0,0,0,1,0,0|3,0,0]=4 2400 B12R1.7 CCCCNCc1cc(on1)C 2230a_100000745230_100000210211 [0,0,0,1,0,0|3,0,0]=4 2401 B12R1.7 CCCCNCc1cc(on1)C 270004a_100000102301_100011217994 [0,0,0,1,0,0|3,0,0]=4 2402 B12R1.7 CCCCNCc1cc(on1)C 34a_100000745230_100000210210 [0,0,0,1,0,0|3,0,0]=4 2403 B12R1.7 CCCCNCc1cc(on1)C 7a_106832991798_100000199038 [0,0,0,1,0,0|3,0,0]=4 2404 B12R1.7 CCCCNN=C1C=C(OC1)C 4a_100025702795_200009860027 [0,0,0,1,0,0|3,0,0]=4 2405 B12R1.7 CCCCNN=C1COC(=O)C1 4a_100025702795_100000211896 [0,0,0,1,0,0|2,0,1]=4 2406 B12R1.7 CCCCOCC1=CC(=O)OC1 34a_100000210227_100000716558 [0,0,0,1,0,0|1,0,0]=2 2407 B12R1.7 CCCCOCC1COC(=O)O1 34a_100000210227_100000073702 [0,0,0,1,0,0|2,0,1]=4 2408 B12R1.7 CCCCOC[C@H]1COC(=O)N1 34a_100000210227_100015307671 [0,0,0,1,0,0|2,0,1]=4 2409 B12R1.7 CCCCOC[C@H]1COC(=O)N1 7a_100000210227_100015307671 [0,0,0,1,0,0|2,0,1]=4 2410 B12R1.7 CCCCOCc1cc(on1)C 34a_100000210227_100000199038 [0,0,0,1,0,0|3,0,0]=4 2411 B12R1.7 CCCCOCc1cc(on1)C 34a_100011216401_100000210210 [0,0,0,1,0,0|3,0,0]=4 2412 B12R1.7 CCCCOCc1cc(on1)C 7a_100000210227_100000199038 [0,0,0,1,0,0|3,0,0]=4 2413 B12R1.7 CCCCSCC1=CC(=O)OC1 62a_100000210211_100000716558 [0,0,0,1,0,0|1,0,0]=2 2414 B12R1.7 CCCCSCC1=CC(=O)OC1 62a_100000716558_100000210210 [0,0,0,1,0,0|1,0,0]=2 2415 B12R1.7 CCCCSCC1COC(=O)O1 62a_100000073702_100000210210 [0,0,0,1,0,0|2,0,1]=4 2416 B12R1.7 CCCCSCC1COC(=O)O1 62a_100000210211_100000073702 [0,0,0,1,0,0|2,0,1]=4 2417 B12R1.7 CCCCSC[C@H]1COC(=O)N1 62a_100000210211_100015307671 [0,0,0,1,0,0|2,0,1]=4 2418 B12R1.7 CCCCSC[C@H]1COC(=O)N1 62a_100015307671_100000210210 [0,0,0,1,0,0|2,0,1]=4 2419 B12R1.7 CCCCSCc1cc(on1)C 62a_100000199038_100000210210 [0,0,0,1,0,0|3,0,0]=4 2420 B12R1.7 CCCCSCc1cc(on1)C 62a_100000210211_100000199038 [0,0,0,1,0,0|3,0,0]=4 2421 B12R1.7 CCOCSCC1=CC(=O)OC1 62a_100000716558_100000739092 [0,0,0,1,0,0|2,0,0]=3 2422 B12R1.7 CCOCSCC1=CC(=O)OC1 62a_100000739092_100000716558 [0,0,0,1,0,0|2,0,0]=3 2423 B12R1.7 COCCOCC1=CC(=O)OC1 34a_100000210237_100000716558 [0,0,0,1,0,0|2,0,0]=3 2424 B12R1.7 COCCSCC1=CC(=O)OC1 62a_100000233755_100000716558 [0,0,0,1,0,0|2,0,0]=3 2425 B12R1.7 COCCSCC1=CC(=O)OC1 62a_100000716558_100000233755 [0,0,0,1,0,0|2,0,0]=3 2426 B12R1.7 CSCCOCC1=CC(=O)OC1 34a_100000230434_100000716558 [0,0,0,1,0,0|2,0,0]=3 2427 B12R1.7 CSCCSCC1=CC(=O)OC1 62a_100000212216_100000716558 [0,0,0,1,0,0|2,0,0]=3 2428 B12R1.7 CSCCSCC1=CC(=O)OC1 62a_100000716558_100000751147 [0,0,0,1,0,0|2,0,0]=3 2429 B12R1.7 N#CCCSCC1=CC(=O)OC1 62a_100000716558_100011215226 [0,0,0,1,0,0|2,0,1]=4 2430 B12R1.7 N#CCCSCC1=CC(=O)OC1 62a_100011215226_100000716558 [0,0,0,1,0,0|2,0,1]=4 2431 B12R1.7 NCCCOCC1=CC(=O)OC1 34a_100000182051_100000716558 [0,0,0,1,0,0|2,0,0]=3 2432 B12R1.7 NOCCOCC1=CC(=O)OC1 34a_100000700252_100000716558 [0,0,0,1,0,0|3,0,0]=4 2433 B12R1.7 O=C1C=C(CO1)CNCCCF 34a_100015189416_100000716558 [0,0,0,1,0,0|2,0,0]=3 2434 B12R1.7 O=C1C=C(CO1)COCCCBr 34a_100011217188_100000716558 [0,0,0,1,0,0|2,0,0]=3 2435 B12R1.7 O=C1C=C(CO1)COCCCCl 34a_100000230001_100000716558 [0,0,0,1,0,0|2,0,0]=3 2436 B12R1.7 O=C1C=C(CO1)COCCCF 34a_100000759539_100000716558 [0,0,0,1,0,0|2,0,0]=3 2437 B12R1.7 O=C1C=C(CO1)CSCCCF 62a_100000716558_100011934791 [0,0,0,1,0,0|2,0,0]=3 2438 B12R1.7 O=C1C=C(CO1)CSCCCF 62a_100011934791_100000716558 [0,0,0,1,0,0|2,0,0]=3 2439 B12R1.7 O=C1C=C(CO1)CSCCCO 62a_100000716558_100011215043 [0,0,0,1,0,0|2,0,0]=3 2440 B12R1.7 O=C1C=C(CO1)CSCCCO 62a_100011215043_100000716558 [0,0,0,1,0,0|2,0,0]=3 2441 B12R1.25 CCCCc1cccc(=O)n1C 271570a_100020621405_100000726605 [0,0,0,1,0,0|1,0,2]=4 2442 B12R1.27 CCC(=O)C=CC1=CCCCC1 1458a_100016289660_100000210202 [0,0,0,1,0,0|1,0,2]=4 2443 B12R1.27 CCC(=O)C=CC1CCCCC1 1458a_100102566626_100000210202 [0,0,0,1,0,0|1,0,0]=2 2444 B12R1.27 CCC(=O)CCC1CCCCC1 1458a_100000210414_100011273959 [0,0,0,1,0,0|1,0,2]=4 2445 B12R1.27 CCC(=O)CCC1CCCCC1 1458a_100000211375_100000210202 [0,0,0,1,0,0|1,0,2]=4 2446 B12R1.27 CCC(=O)COC1CCCCC1 1458a_100000210414_100011935260 [0,0,0,1,0,0|2,0,1]=4 2447 B12R1.27 CCC(=O)COC1CCCCC1 1458a_100011223303_100000210202 [0,0,0,1,0,0|2,0,1]=4 2448 B12R1.27 CCC(=O)COC1CCCCC1 34a_100000725409_100000210327 [0,0,0,1,0,0|2,0,1]=4 2449 B12R1.27 CCC(=O)COC1CCCCC1 7a_100000210231_100000747405 [0,0,0,1,0,0|2,0,1]=4 2450 B12R1.27 CCC(=O)CSC1CCCCC1 62a_100000210327_100000747405 [0,0,0,1,0,0|2,0,1]=4 2451 B12R1.27 CCC(=O)CSC1CCCCC1 62a_100000747405_100000210327 [0,0,0,1,0,0|2,0,1]=4 2452 B12R1.27 CCC(=O)NCC1CCCCC1 11a_100000210473_100000210414 [0,0,0,1,0,0|2,0,1]=4 2453 B12R1.27 CCC(=O)NCC1CCCCC1 1626a_100000210473_100000210414 [0,0,0,1,0,0|2,0,1]=4 2454 B12R1.27 CCC(=O)NCC1CCCCC1 240690a_100000210473_100000210414 [0,0,0,1,0,0|2,0,1]=4 2455 B12R1.27 CCC(=O)NCC1CCCCC1 527a_100000210473_100000210414 [0,0,0,1,0,0|2,0,1]=4 2456 B12R1.27 CCC(=O)NNC1CCCCC1 22a_100000709804_100000210414 [0,0,0,1,0,0|3,0,0]=4 2457 B12R1.27 CNC(=O)C=CC1=CCCCC1 1626a_100102657272_100016289660 [0,0,0,1,0,0|1,0,2]=4 2458 B12R1.27 CNC(=O)C=CC1=CCCCC1 240690a_100102657272_100016289660 [0,0,0,1,0,0|1,0,2]=4 2459 B12R1.27 CNC(=O)C=CC1CCCCC1 11a_106832991635_100102566626 [0,0,0,1,0,0|1,0,0]=2 2460 B12R1.27 CNC(=O)C=CC1CCCCC1 1626a_100102657272_100102566626 [0,0,0,1,0,0|1,0,0]=2 2461 B12R1.27 CNC(=O)C=CC1CCCCC1 240690a_100102657272_100102566626 [0,0,0,1,0,0|1,0,0]=2 2462 B12R1.27 CNC(=O)CCC1CCCCC1 11a_106832991635_100000211375 [0,0,0,1,0,0|1,0,2]=4 2463 B12R1.27 CNC(=O)CCC1CCCCC1 1626a_100102657272_100000211375 [0,0,0,1,0,0|1,0,2]=4 2464 B12R1.27 CNC(=O)CCC1CCCCC1 240690a_100102657272_100000211375 [0,0,0,1,0,0|1,0,2]=4 2465 B12R1.27 CNC(=O)CCC1CCCCC1 527a_100102657272_100000211375 [0,0,0,1,0,0|1,0,2]=4 2466 B12R1.27 CNC(=O)CNC1CCCCC1 2230a_100000182618_100000183359 [0,0,0,1,0,0|2,0,1]=4 2467 B12R1.27 CNC(=O)CNC1CCCCC1 270004a_100000693194_100000210434 [0,0,0,1,0,0|2,0,1]=4 2468 B12R1.27 CNC(=O)CNC1CCCCC1 34a_100000182618_100000183359 [0,0,0,1,0,0|2,0,1]=4 2469 B12R1.27 CNC(=O)COC1CCCCC1 11a_106832991635_100011223303 [0,0,0,1,0,0|2,0,1]=4 2470 B12R1.27 CNC(=O)COC1CCCCC1 1626a_100102657272_100011223303 [0,0,0,1,0,0|2,0,1]=4 2471 B12R1.27 CNC(=O)COC1CCCCC1 240690a_100102657272_100011223303 [0,0,0,1,0,0|2,0,1]=4 2472 B12R1.27 CNC(=O)COC1CCCCC1 34a_100000210231_100000183359 [0,0,0,1,0,0|2,0,1]=4 2473 B12R1.27 CNC(=O)COC1CCCCC1 34a_100000750040_100000210327 [0,0,0,1,0,0|2,0,1]=4 2474 B12R1.27 CNC(=O)COC1CCCCC1 527a_100102657272_100011223303 [0,0,0,1,0,0|2,0,1]=4 2475 B12R1.27 CNC(=O)COC1CCCCC1 7a_100000210231_100000183359 [0,0,0,1,0,0|2,0,1]=4 2476 B12R1.27 CNC(=O)CSC1CCCCC1 62a_100000183359_100000210327 [0,0,0,1,0,0|2,0,1]=4 2477 B12R1.27 CNC(=O)CSC1CCCCC1 62a_100000210327_100000183359 [0,0,0,1,0,0|2,0,1]=4 2478 B12R1.27 CNC(=O)NCC1CCCCC1 2708a_100000210473_106832991635 [0,0,0,1,0,0|2,0,1]=4 2479 B12R1.27 CNC(=O)NCC1CCCCC1 2708a_100102657272_100000210473 [0,0,0,1,0,0|2,0,1]=4 2480 B12R1.27 CNC(=O)NCC1CCCCC1 273464a_100000210473_100102657272 [0,0,0,1,0,0|2,0,1]=4 2481 B12R1.27 CNC(=O)NCC1CCCCC1 273464a_100102657272_100000210473 [0,0,0,1,0,0|2,0,1]=4 2482 B12R1.27 CNC(=O)NCC1CCCCC1 512a_106832991638_100000210473 [0,0,0,1,0,0|2,0,1]=4 2483 B12R1.27 CNC(=O)NNC1CCCCC1 273464a_100102657272_100000709804 [0,0,0,1,0,0|3,0,0]=4 2484 B12R1.27 COC(=O)CNC1CCCCC1 2230a_100000182618_100000747449 [0,0,0,1,0,0|1,0,1]=3 2485 B12R1.27 COC(=O)CNC1CCCCC1 34a_100000182618_100000747449 [0,0,0,1,0,0|1,0,1]=3 2486 B12R1.27 COC(=O)CNC1CCCOC1 2230a_100000719290_100000747449 [0,0,0,1,0,0|2,0,1]=4 2487 B12R1.27 COC(=O)CNC1CCCOC1 34a_100000719290_100000747449 [0,0,0,1,0,0|2,0,1]=4 2488 B12R1.27 COC(=O)CNC1CCOCC1 2230a_100000741149_100000747449 [0,0,0,1,0,0|2,0,1]=4 2489 B12R1.27 COC(=O)CNC1CCOCC1 34a_100000741149_100000747449 [0,0,0,1,0,0|2,0,1]=4 2490 B12R1.27 COC(=O)CNC1CCSCC1 2230a_100000748639_100000747449 [0,0,0,1,0,0|2,0,1]=4 2491 B12R1.27 COC(=O)CNC1CCSCC1 34a_100000748639_100000747449 [0,0,0,1,0,0|2,0,1]=4 2492 B12R1.27 COC(=O)COC1CCCCC1 34a_100000210231_100000747449 [0,0,0,1,0,0|1,0,1]=3 2493 B12R1.27 COC(=O)COC1CCCCC1 7a_100000210231_100000747449 [0,0,0,1,0,0|1,0,1]=3 2494 B12R1.27 COC(=O)COC1CCCCO1 34a_100000033831_100000747449 [0,0,0,1,0,0|2,0,1]=4 2495 B12R1.27 COC(=O)COC1CCCOC1 34a_100000754041_100000747449 [0,0,0,1,0,0|2,0,1]=4 2496 B12R1.27 COC(=O)COC1CCCSC1 7a_100015962668_100000747449 [0,0,0,1,0,0|2,0,1]=4 2497 B12R1.27 COC(=O)COC1CCOCC1 34a_100000744328_100000747449 [0,0,0,1,0,0|2,0,1]=4 2498 B12R1.27 COC(=O)COC1CCSCC1 34a_100000731022_100000747449 [0,0,0,1,0,0|2,0,1]=4 2499 B12R1.27 COC(=O)COC1CCSCC1 7a_100000731022_100000747449 [0,0,0,1,0,0|2,0,1]=4 2500 B12R1.27 COC(=O)CSC1CCCCC1 62a_100000210327_100000747449 [0,0,0,1,0,0|1,0,1]=3 2501 B12R1.27 COC(=O)CSC1CCCCC1 62a_100000747449_100000210327 [0,0,0,1,0,0|1,0,1]=3 2502 B12R1.27 COC(=O)CSC1CCCOC1 62a_100000747449_100000693364 [0,0,0,1,0,0|2,0,1]=4 2503 B12R1.27 COC(=O)CSC1CCOCC1 62a_100000747449_100011324220 [0,0,0,1,0,0|2,0,1]=4 2504 B12R1.27 COC(=O)CSC1CCSCC1 62a_100000747449_100000069128 [0,0,0,1,0,0|2,0,1]=4 2505 B12R1.27 O=C(C=CC1CCCCC1)CF 1458a_100102566626_100015361967 [0,0,0,1,0,0|2,0,0]=3 2506 B12R1.77 CCC(=O)N1CCCCC1CC 11a_100000210034_100000210414 [0,0,0,1,0,0|2,0,1]=4 2507 B12R1.77 CCC(=O)N1CCCCC1CC 1626a_100000210034_100000210414 [0,0,0,1,0,0|2,0,1]=4 2508 B12R1.77 CCC(=O)N1CCCCC1CC 240690a_100000210034_100000210414 [0,0,0,1,0,0|2,0,1]=4 2509 B12R1.77 CCC(=O)N1CCCCC1CC 527a_100000210034_100000210414 [0,0,0,1,0,0|2,0,1]=4 2510 B12R1.77 CCC1CCCCN1C(=O)NC 2708a_100102657272_100000210034 [0,0,0,1,0,0|2,0,1]=4 2511 B12R1.77 CCC1CCCCN1C(=O)NC 273464a_100102657272_100000210034 [0,0,0,1,0,0|2,0,1]=4 2512 B12R1.77 CCN1CCCCC1C(=O)OC 2230a_100000734855_100000210202 [0,0,0,1,0,0|1,0,2]=4 2513 B12R1.77 CCN1CCCCC1C(=O)OC 269982a_100000734855_100000204670 [0,0,0,1,0,0|1,0,2]=4 2514 B12R1.77 CCN1CCCCC1C(=O)OC 34a_100000734855_100000210202 [0,0,0,1,0,0|1,0,2]=4 2515 B12R1.77 COC(=O)[C@@H]1CCCC[C@@H]1OC 34a_100015709673_200000210301 [0,0,0,1,0,0|1,0,2]=4 2516 B12R1.77 COC(=O)[C@@H]1CCCC[C@@H]1OC 7a_100015709673_200000210301 [0,0,0,1,0,0|1,0,2]=4 2517 B12R1.77 COC(=O)[C@@H]1CCCC[C@@H]1O[13CH3] 34a_100015709673_200025704644 [0,0,0,1,0,0|1,0,2]=4 2518 B12R1.77 COC(=O)[C@@H]1CCCC[C@@H]1O[13CH3] 7a_100015709673_200025704644 [0,0,0,1,0,0|1,0,2]=4 2519 B12R1.82 CCC(=O)CN1CCCC1CC 269982a_100000754278_100000747405 [0,0,0,1,0,0|2,0,1]=4 2520 B12R1.82 CCC1CCCN1CC(=O)NC 2230a_100000754278_100000183359 [0,0,0,1,0,0|2,0,1]=4 2521 B12R1.82 CCC1CCCN1CC(=O)NC 269982a_100000754278_100000183359 [0,0,0,1,0,0|2,0,1]=4 2522 B12R1.82 CCC1CCCN1CC(=O)NC 34a_100000754278_100000183359 [0,0,0,1,0,0|2,0,1]=4 2523 B12R1.82 CCC1CCCN1CC(=O)OC 2230a_100000754278_100000747449 [0,0,0,1,0,0|1,0,1]=3 2524 B12R1.82 CCC1CCCN1CC(=O)OC 269982a_100000754278_100000747449 [0,0,0,1,0,0|1,0,1]=3 2525 B12R1.82 CCC1CCCN1CC(=O)OC 34a_100000754278_100000747449 [0,0,0,1,0,0|1,0,1]=3 2526 B12R1.82 CCN1CCC[C@@H]1CC(=O)OC 2230a_100025726698_100000210202 [0,0,0,1,0,0|1,0,2]=4 2527 B12R1.82 CCN1CCC[C@@H]1CC(=O)OC 269982a_100025726698_100000204670 [0,0,0,1,0,0|1,0,2]=4 2528 B12R1.82 CCN1CCC[C@@H]1CC(=O)OC 34a_100025726698_100000210202 [0,0,0,1,0,0|1,0,2]=4 2529 B12R1.82 COC(=O)CN1CCC[C@@H]1CO 2230a_100000745186_100000747449 [0,0,0,1,0,0|2,0,1]=4 2530 B12R1.82 COC(=O)CN1CCC[C@@H]1CO 269982a_100000745186_100000747449 [0,0,0,1,0,0|2,0,1]=4 2531 B12R1.82 COC(=O)CN1CCC[C@@H]1CO 34a_100000745186_100000747449 [0,0,0,1,0,0|2,0,1]=4 2532 B12R1.163 COCC1CCN1CC(=O)OC 2230a_100015195929_100000747449 [0,0,0,1,0,0|2,0,1]=4 2533 B12R1.163 COCC1CCN1CC(=O)OC 269982a_100015195929_100000747449 [0,0,0,1,0,0|2,0,1]=4 2534 B12R1.163 COCC1CCN1CC(=O)OC 34a_100015195929_100000747449 [0,0,0,1,0,0|2,0,1]=4 2535 B12R1.291 CCCN1CCC[C@H]1C(=O)OC 2230a_100000752040_100000210303 [0,0,0,1,0,0|1,0,2]=4 2536 B12R1.291 CCCN1CCC[C@H]1C(=O)OC 269982a_100000752040_100000210303 [0,0,0,1,0,0|1,0,2]=4 2537 B12R1.291 CCCN1CCSC1C(=O)OC 2230a_100015296106_100000210303 [0,0,0,1,0,0|2,0,1]=4 2538 B12R1.291 CCCN1CCSC1C(=O)OC 269982a_100015296106_100000210303 [0,0,0,1,0,0|2,0,1]=4 2539 B12R1.291 CCOC1CCCC1C(=O)OC 34a_200000081814_100000210202 [0,0,0,1,0,0|1,0,2]=4 2540 B12R1.291 CCOC1CCCC1C(=O)OC 7a_200000081814_100000210202 [0,0,0,1,0,0|1,0,2]=4 2541 B12R1.327 CCCCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000210211 [0,0,0,1,0,0|1,0,2]=4 2542 B12R1.327 CCCCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000210211 [0,0,0,1,0,0|1,0,2]=4 2543 B12R1.353 CCC(=O)COC1CCCC1C 7a_100011216460_100000747405 [0,0,0,1,0,0|2,0,1]=4 2544 B12R1.353 CNC(=O)CNC1CCCC1C 269862a_100000693194_100000752053 [0,0,0,1,0,0|2,0,1]=4 2545 B12R1.353 CNC(=O)COC1CCCC1C 34a_100011216460_100000183359 [0,0,0,1,0,0|2,0,1]=4 2546 B12R1.353 CNC(=O)COC1CCCC1C 7a_100011216460_100000183359 [0,0,0,1,0,0|2,0,1]=4 2547 B12R1.353 COC(=O)CCN1CCC[C@@H]1C 2230a_100020605311_100000204255 [0,0,0,1,0,0|1,0,2]=4 2548 B12R1.353 COC(=O)CCN1CCC[C@@H]1C 269982a_100020605311_100000204255 [0,0,0,1,0,0|1,0,2]=4 2549 B12R1.353 COC(=O)CCN1CCC[C@H]1C 2230a_100015189458_100000204255 [0,0,0,1,0,0|1,0,2]=4 2550 B12R1.353 COC(=O)CCN1CCC[C@H]1C 269982a_100015189458_100000204255 [0,0,0,1,0,0|1,0,2]=4 2551 B12R1.353 COC(=O)CCN1CCC[C@H]1C 34a_100015189458_100000742370 [0,0,0,1,0,0|1,0,2]=4 2552 B12R1.353 COC(=O)COC1CCCC1C 34a_100011216460_100000747449 [0,0,0,1,0,0|1,0,1]=3 2553 B12R1.353 COC(=O)COC1CCCC1C 7a_100011216460_100000747449 [0,0,0,1,0,0|1,0,1]=3 2554 B12R1.353 COC(=O)CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000747449 [0,0,0,1,0,0|2,0,1]=4 2555 B12R1.353 COC(=O)CO[C@H]1CCC[C@@H]1N 34a_100000748460_100000747449 [0,0,0,1,0,0|2,0,1]=4 2556 B12R1.353 COC(=O)CO[C@H]1CNC[C@H]1C 34a_200015306588_100000747449 [0,0,0,1,0,0|2,0,1]=4 2557 B12R1.353 COC(=O)CS[C@@H]1CCC[C@H]1O 62a_100000747449_200016002552 [0,0,0,1,0,0|2,0,1]=4 2558 B12R1.353 COC(=O)CS[C@@H]1CCC[C@H]1O 62a_200016002552_100000747449 [0,0,0,1,0,0|2,0,1]=4 2559 B12R1.355 COC(=O)/C=C/CN[C@@H]1C[C@@H]1F 2230a_100015190264_100000742655 [0,0,0,1,0,0|2,0,0]=3 2560 B12R1.355 COC(=O)/C=C/CN[C@@H]1C[C@H]1F 2230a_100025746932_100000742655 [0,0,0,1,0,0|2,0,0]=3 2561 B12R1.355 COC(=O)/C=C/CN[C@@H]1C[C@H]1F 34a_100025746932_100000742655 [0,0,0,1,0,0|2,0,0]=3 2562 B12R1.355 COC(=O)CCOCC1CC1C 34a_100000744939_100000742370 [0,0,0,1,0,0|1,0,2]=4 2563 B12R1.355 COC(=O)CCOCC1CC1C 7a_100000744939_100000204255 [0,0,0,1,0,0|1,0,2]=4 2564 B12R1.356 COC(=O)/C=C/CNC1CCC1 2230a_100000749019_100000742655 [0,0,0,1,0,0|1,0,0]=2 2565 B12R1.356 COC(=O)/C=C/CNC1CCC1 34a_100000749019_100000742655 [0,0,0,1,0,0|1,0,0]=2 2566 B12R1.356 COC(=O)/C=C/CNC1COC1 2230a_100016991112_100000742655 [0,0,0,1,0,0|2,0,0]=3 2567 B12R1.356 COC(=O)/C=C/COC1CCC1 34a_100000748187_100000742655 [0,0,0,1,0,0|1,0,0]=2 2568 B12R1.356 COC(=O)/C=C/COC1CSC1 7a_100000072292_100000742655 [0,0,0,1,0,0|2,0,0]=3 2569 B12R1.356 COC(=O)/C=C/CSC1CCC1 62a_100000742655_100000749161 [0,0,0,1,0,0|1,0,0]=2 2570 B12R1.356 COC(=O)/C=C/CSC1COC1 62a_100000742655_100009818527 [0,0,0,1,0,0|2,0,0]=3 2571 B12R1.356 COC(=O)C=NNCC1CCC1 4a_200020586977_200011823558 [0,0,0,1,0,0|2,0,0]=3 2572 B12R1.356 COC(=O)CC=NNC1CCC1 4a_100000736358_200011552997 [0,0,0,1,0,0|2,0,1]=4 2573 B12R1.356 COC(=O)CCCCN1CCC1 269982a_100000754969_100000204269 [0,0,0,1,0,0|1,0,2]=4 2574 B12R1.356 COC(=O)CCCNC1CCC1 2230a_100000749019_100011218270 [0,0,0,1,0,0|1,0,2]=4 2575 B12R1.356 COC(=O)CCCNC1CCC1 34a_100000749019_100000742333 [0,0,0,1,0,0|1,0,2]=4 2576 B12R1.356 COC(=O)CCCOC1CCC1 34a_100000748187_100000742333 [0,0,0,1,0,0|1,0,2]=4 2577 B12R1.356 COC(=O)CCCSC1CCC1 62a_100011218270_100000749161 [0,0,0,1,0,0|1,0,2]=4 2578 B12R1.356 COC(=O)CCNCC1CCC1 2230a_100000738700_100000204255 [0,0,0,1,0,0|1,0,2]=4 2579 B12R1.356 COC(=O)CCNCC1CCC1 34a_100000738700_100000742370 [0,0,0,1,0,0|1,0,2]=4 2580 B12R1.356 COC(=O)CCOCC1CCC1 34a_100000760304_100000742370 [0,0,0,1,0,0|1,0,2]=4 2581 B12R1.356 COC(=O)CCSCC1CCC1 62a_100000204255_100000763275 [0,0,0,1,0,0|1,0,2]=4 2582 B12R1.356 COC(=O)CCSCC1CCC1 62a_100000763275_100000204255 [0,0,0,1,0,0|1,0,2]=4 2583 B12R1.356 COC(=O)COCCC1COC1 34a_100009855314_100000747449 [0,0,0,1,0,0|2,0,1]=4 2584 B12R1.356 COC(=O)NCCOC1CCC1 34a_100000757965_100000749161 [0,0,0,1,0,0|2,0,1]=4 2585 B12R1.356 COC(=O)OCCOC1CCC1 34a_100010262106_100000749161 [0,0,0,1,0,0|2,0,1]=4 2586 B12R1.356 COC(=O)OCSCC1CCC1 62a_100000763275_100000139417 [0,0,0,1,0,0|2,0,1]=4 2587 B12R1.360 COC(=O)/C=C/CNCC1CC1 2230a_100000735609_100000742655 [0,0,0,1,0,0|1,0,0]=2 2588 B12R1.360 COC(=O)/C=C/CNCC1CC1 34a_100000735609_100000742655 [0,0,0,1,0,0|1,0,0]=2 2589 B12R1.360 COC(=O)/C=C/COCC1CC1 34a_100000211283_100000742655 [0,0,0,1,0,0|1,0,0]=2 2590 B12R1.360 COC(=O)/C=C/COC[C@@H]1CO1 34a_100000757423_100000742655 [0,0,0,1,0,0|2,0,0]=3 2591 B12R1.360 COC(=O)/C=C/CSCC1CC1 62a_100000742655_100000742324 [0,0,0,1,0,0|1,0,0]=2 2592 B12R1.360 COC(=O)/C=C/CSCC1CC1 62a_100000756562_100000742655 [0,0,0,1,0,0|1,0,0]=2 2593 B12R1.360 COC(=O)/C=C/CSCC1CO1 62a_100000742655_102125554688 [0,0,0,1,0,0|2,0,0]=3 2594 B12R1.360 COC(=O)/C=C/CSCC1CO1 62a_102125554688_100000742655 [0,0,0,1,0,0|2,0,0]=3 2595 B12R1.360 COC(=O)/C=C/CSCC1CS1 62a_100000031435_100000742655 [0,0,0,1,0,0|2,0,0]=3 2596 B12R1.360 COC(=O)/C=C/CSCC1CS1 62a_100000742655_100000031435 [0,0,0,1,0,0|2,0,0]=3 2597 B12R1.360 COC(=O)/C=C/CSC[C@@H]1CO1 62a_100000742655_100000745022 [0,0,0,1,0,0|2,0,0]=3 2598 B12R1.360 COC(=O)/C=C/CSC[C@@H]1CO1 62a_100000745022_100000742655 [0,0,0,1,0,0|2,0,0]=3 2599 B12R1.360 COC(=O)C=CC=NNC1CC1 4a_100000701032_100016254430 [0,0,0,1,0,0|2,0,1]=4 2600 B12R1.360 COC(=O)CC=NNCC1CC1 4a_100000736359_200011552997 [0,0,0,1,0,0|2,0,1]=4 2601 B12R1.360 COC(=O)CCCCNC1CC1 34a_100000212008_100000204269 [0,0,0,1,0,0|1,0,2]=4 2602 B12R1.360 COC(=O)CCCCOC1CC1 34a_100000059025_100000211595 [0,0,0,1,0,0|1,0,2]=4 2603 B12R1.360 COC(=O)CCCCSC1CC1 62a_100000204269_100000211595 [0,0,0,1,0,0|1,0,2]=4 2604 B12R1.360 COC(=O)CCCNCC1CC1 2230a_100000735609_100011218270 [0,0,0,1,0,0|1,0,2]=4 2605 B12R1.360 COC(=O)CCCNCC1CC1 34a_100000735609_100000742333 [0,0,0,1,0,0|1,0,2]=4 2606 B12R1.360 COC(=O)CCCOCC1CC1 34a_100000211283_100000742333 [0,0,0,1,0,0|1,0,2]=4 2607 B12R1.360 COC(=O)CCCSCC1CC1 62a_100000756562_100011218270 [0,0,0,1,0,0|1,0,2]=4 2608 B12R1.360 COC(=O)CCCSCC1CC1 62a_100011218270_100000742324 [0,0,0,1,0,0|1,0,2]=4 2609 B12R1.360 COC(=O)CCNCCC1CC1 34a_100000764129_100000742370 [0,0,0,1,0,0|1,0,2]=4 2610 B12R1.360 COC(=O)CCOCCC1CC1 34a_100000754188_100000742370 [0,0,0,1,0,0|1,0,2]=4 2611 B12R1.360 COC(=O)CCOCCC1CC1 7a_100000754188_100000204255 [0,0,0,1,0,0|1,0,2]=4 2612 B12R1.360 COC(=O)CCSCCC1CC1 62a_100000204255_100000764125 [0,0,0,1,0,0|1,0,2]=4 2613 B12R1.360 COC(=O)CCSCCC1CC1 62a_100000764125_100000204255 [0,0,0,1,0,0|1,0,2]=4 2614 B12R1.360 COC(=O)COCCNC1CC1 34a_100000212008_100000090808 [0,0,0,1,0,0|2,0,1]=4 2615 B12R1.360 COC(=O)COCCNC1CC1 34a_100000738766_100000747449 [0,0,0,1,0,0|2,0,1]=4 2616 B12R1.360 COC(=O)COCCSC1CC1 62a_100000090808_100000211595 [0,0,0,1,0,0|2,0,1]=4 2617 B12R1.360 COC(=O)CSCCCC1CO1 62a_100000733510_100000747449 [0,0,0,1,0,0|2,0,1]=4 2618 B12R1.360 COC(=O)CSCCCC1CO1 62a_100000747449_100000733510 [0,0,0,1,0,0|2,0,1]=4 2619 B12R1.360 COC(=O)NCCOCC1CC1 34a_100000757965_100000742324 [0,0,0,1,0,0|2,0,1]=4 2620 B12R1.360 COC(=O)OCCOCC1CC1 34a_100010262106_100000742324 [0,0,0,1,0,0|2,0,1]=4 2621 B12R1.360 COC(=O)OCSCCC1CC1 62a_100000764125_100000139417 [0,0,0,1,0,0|2,0,1]=4 2622 B12R1.364 COC(=O)/C=C/CN1CCC1C 269982a_100000755817_100000742655 [0,0,0,1,0,0|1,0,0]=2 2623 B12R1.364 COC(=O)/C=C/CN1CCC1C 34a_100000755817_100000742655 [0,0,0,1,0,0|1,0,0]=2 2624 B12R1.364 COC(=O)CCCN1CCC1C 269982a_100000755817_100011218270 [0,0,0,1,0,0|1,0,2]=4 2625 B12R1.364 COC(=O)CCCN1CCC1C 34a_100000755817_100000742333 [0,0,0,1,0,0|1,0,2]=4 2626 B12R1.371 CCC(=O)CN1CCCCC1C 269982a_100000211376_100000747405 [0,0,0,1,0,0|2,0,1]=4 2627 B12R1.371 CCC(=O)NC1CCCCC1C 11a_100000211402_100000210414 [0,0,0,1,0,0|2,0,1]=4 2628 B12R1.371 CCC(=O)NC1CCCCC1C 1626a_100000211402_100000210414 [0,0,0,1,0,0|2,0,1]=4 2629 B12R1.371 CCC(=O)NC1CCCCC1C 240690a_100000211402_100000210414 [0,0,0,1,0,0|2,0,1]=4 2630 B12R1.371 CCC(=O)NC1CCCCC1C 527a_100000211402_100000210414 [0,0,0,1,0,0|2,0,1]=4 2631 B12R1.371 CNC(=O)CN1CCCCC1C 2230a_100000211376_100000183359 [0,0,0,1,0,0|2,0,1]=4 2632 B12R1.371 CNC(=O)CN1CCCCC1C 269982a_100000211376_100000183359 [0,0,0,1,0,0|2,0,1]=4 2633 B12R1.371 CNC(=O)CN1CCCCC1C 34a_100000211376_100000183359 [0,0,0,1,0,0|2,0,1]=4 2634 B12R1.371 CNC(=O)NC1CCCCC1C 2708a_100000211402_106832991635 [0,0,0,1,0,0|2,0,1]=4 2635 B12R1.371 CNC(=O)NC1CCCCC1C 2708a_100102657272_100000211402 [0,0,0,1,0,0|2,0,1]=4 2636 B12R1.371 CNC(=O)NC1CCCCC1C 273464a_100000211402_100102657272 [0,0,0,1,0,0|2,0,1]=4 2637 B12R1.371 CNC(=O)NC1CCCCC1C 273464a_100102657272_100000211402 [0,0,0,1,0,0|2,0,1]=4 2638 B12R1.371 CNC(=O)NC1CCCCC1C 512a_100000211402_100102657272 [0,0,0,1,0,0|2,0,1]=4 2639 B12R1.371 CNC(=O)NC1CCCCC1C 512a_106832991638_100000211402 [0,0,0,1,0,0|2,0,1]=4 2640 B12R1.371 COC(=O)CN1CCCCC1C 2230a_100000211376_100000747449 [0,0,0,1,0,0|1,0,1]=3 2641 B12R1.371 COC(=O)CN1CCCCC1C 269982a_100000211376_100000747449 [0,0,0,1,0,0|1,0,1]=3 2642 B12R1.371 COC(=O)CN1CCCCC1C 34a_100000211376_100000747449 [0,0,0,1,0,0|1,0,1]=3 2643 B12R1.371 COC(=O)CN1CCOC[C@@H]1C 2230a_100009815349_100000747449 [0,0,0,1,0,0|2,0,1]=4 2644 B12R1.371 COC(=O)CN1CCOC[C@@H]1C 269982a_100009815349_100000747449 [0,0,0,1,0,0|2,0,1]=4 2645 B12R1.371 COC(=O)CN1CCOC[C@@H]1C 34a_100009815349_100000747449 [0,0,0,1,0,0|2,0,1]=4 2646 B12R1.382 CCCCc1cc(ccn1)OC 271570a_100020621405_100011216251 [0,0,0,1,0,0|2,0,1]=4 2647 B12R1.382 CCCCc1cccc(c1)OC 271570a_100020621405_100000170001 [0,0,0,1,0,0|1,0,2]=4 2648 B12R1.382 CCCCc1cccc(n1)OC 271570a_100020621405_100000760917 [0,0,0,1,0,0|1,0,2]=4 2649 B12R1.382 CCCCc1nccc(n1)OC 271570a_100020621405_100000182009 [0,0,0,1,0,0|2,0,1]=4 2650 B12R1.383 CCCCCCOC1CCC1=O 34a_100000210259_100009892977 [0,0,0,1,0,0|2,0,1]=4 2651 B12R1.383 CCCCCCOC1CCC1=O 7a_100000210259_100009892977 [0,0,0,1,0,0|2,0,1]=4 2652 B12R1.383 CCCCCCSC1CCC1=O 62a_100000210314_100009892977 [0,0,0,1,0,0|2,0,1]=4 2653 B12R1.383 CCCCCCSC1CCC1=O 62a_100009892977_100000210757 [0,0,0,1,0,0|2,0,1]=4 2654 B12R1.477 CCC(=O)CCCC1CCCC1 1458a_100000210414_100011713738 [0,0,0,1,0,0|1,0,2]=4 2655 B12R1.477 CCC(=O)COCC1CCCC1 34a_100000725409_100000740388 [0,0,0,1,0,0|2,0,1]=4 2656 B12R1.477 CCC(=O)COCC1CCCC1 7a_100000742336_100000747405 [0,0,0,1,0,0|2,0,1]=4 2657 B12R1.477 CCC(=O)CSCC1CCCC1 62a_100000740388_100000747405 [0,0,0,1,0,0|2,0,1]=4 2658 B12R1.477 CCC(=O)CSCC1CCCC1 62a_100000747405_100000740388 [0,0,0,1,0,0|2,0,1]=4 2659 B12R1.477 CCC(=O)NCCC1CCCC1 11a_100000739158_100000210414 [0,0,0,1,0,0|2,0,1]=4 2660 B12R1.477 CCC(=O)NCCC1CCCC1 1626a_100000739158_100000210414 [0,0,0,1,0,0|2,0,1]=4 2661 B12R1.477 CCC(=O)NCCC1CCCC1 240690a_100000739158_100000210414 [0,0,0,1,0,0|2,0,1]=4 2662 B12R1.477 CCC(=O)NCCC1CCCC1 527a_100000739158_100000210414 [0,0,0,1,0,0|2,0,1]=4 2663 B12R1.477 CNC(=O)CNCC1CCCC1 2230a_100000693194_100000740388 [0,0,0,1,0,0|2,0,1]=4 2664 B12R1.477 CNC(=O)CNCC1CCCC1 2230a_100000737975_100000183359 [0,0,0,1,0,0|2,0,1]=4 2665 B12R1.477 CNC(=O)CNCC1CCCC1 269862a_100000693194_100000746403 [0,0,0,1,0,0|2,0,1]=4 2666 B12R1.477 CNC(=O)CNCC1CCCC1 34a_100000737975_100000183359 [0,0,0,1,0,0|2,0,1]=4 2667 B12R1.477 CNC(=O)COCC1CCCC1 34a_100000742336_100000183359 [0,0,0,1,0,0|2,0,1]=4 2668 B12R1.477 CNC(=O)COCC1CCCC1 34a_100000750040_100000740388 [0,0,0,1,0,0|2,0,1]=4 2669 B12R1.477 CNC(=O)COCC1CCCC1 7a_100000742336_100000183359 [0,0,0,1,0,0|2,0,1]=4 2670 B12R1.477 CNC(=O)CSCC1CCCC1 62a_100000183359_100000740388 [0,0,0,1,0,0|2,0,1]=4 2671 B12R1.477 CNC(=O)CSCC1CCCC1 62a_100000740388_100000183359 [0,0,0,1,0,0|2,0,1]=4 2672 B12R1.477 CNC(=O)NCCC1CCCC1 2708a_100000739158_106832991635 [0,0,0,1,0,0|2,0,1]=4 2673 B12R1.477 CNC(=O)NCCC1CCCC1 2708a_100102657272_100000739158 [0,0,0,1,0,0|2,0,1]=4 2674 B12R1.477 CNC(=O)NCCC1CCCC1 273464a_100000739158_100102657272 [0,0,0,1,0,0|2,0,1]=4 2675 B12R1.477 CNC(=O)NCCC1CCCC1 273464a_100102657272_100000739158 [0,0,0,1,0,0|2,0,1]=4 2676 B12R1.477 CNC(=O)NCCC1CCCC1 512a_100000739158_100102657272 [0,0,0,1,0,0|2,0,1]=4 2677 B12R1.477 CNC(=O)NCCC1CCCC1 512a_106832991638_100000739158 [0,0,0,1,0,0|2,0,1]=4 2678 B12R1.477 COC(=O)/C=C/CN1CC=CC1 269982a_100015195280_100000742655 [0,0,0,1,0,0|1,0,2]=4 2679 B12R1.477 COC(=O)/C=C/CN1CCCC1 2230a_100000188435_100000742655 [0,0,0,1,0,0|1,0,0]=2 2680 B12R1.477 COC(=O)/C=C/CN1CCCC1 269982a_100000188435_100000742655 [0,0,0,1,0,0|1,0,0]=2 2681 B12R1.477 COC(=O)/C=C/CN1CCSC1 2230a_100011215254_100000742655 [0,0,0,1,0,0|2,0,0]=3 2682 B12R1.477 COC(=O)/C=C/CN1CCSC1 269982a_100011215254_100000742655 [0,0,0,1,0,0|2,0,0]=3 2683 B12R1.477 COC(=O)C=NNC1CCCC1 4a_100000737850_200011823558 [0,0,0,1,0,0|2,0,0]=3 2684 B12R1.477 COC(=O)C=NNC1CCOC1 4a_100000690549_200011823558 [0,0,0,1,0,0|3,0,0]=4 2685 B12R1.477 COC(=O)C=NNC1CCSC1 4a_200000731317_200011823558 [0,0,0,1,0,0|3,0,0]=4 2686 B12R1.477 COC(=O)CCCN1CCCC1 2230a_100000188435_100011218270 [0,0,0,1,0,0|1,0,2]=4 2687 B12R1.477 COC(=O)CCCN1CCCC1 269982a_100000188435_100011218270 [0,0,0,1,0,0|1,0,2]=4 2688 B12R1.477 COC(=O)CCNC1CCCC1 2230a_100000211070_100000204255 [0,0,0,1,0,0|1,0,2]=4 2689 B12R1.477 COC(=O)CCNC1CCCC1 34a_100000211070_100000742370 [0,0,0,1,0,0|1,0,2]=4 2690 B12R1.477 COC(=O)CCOC1CCCC1 34a_100000210269_100000742370 [0,0,0,1,0,0|1,0,2]=4 2691 B12R1.477 COC(=O)CCOC1CCCC1 7a_100000210269_100000204255 [0,0,0,1,0,0|1,0,2]=4 2692 B12R1.477 COC(=O)CCSC1CCCC1 62a_100000204255_100000179811 [0,0,0,1,0,0|1,0,2]=4 2693 B12R1.477 COC(=O)CCSC1CCCC1 62a_100011217020_100000204255 [0,0,0,1,0,0|1,0,2]=4 2694 B12R1.477 COC(=O)CNCC1CCCC1 2230a_100000737975_100000747449 [0,0,0,1,0,0|1,0,1]=3 2695 B12R1.477 COC(=O)CNCC1CCCC1 34a_100000737975_100000747449 [0,0,0,1,0,0|1,0,1]=3 2696 B12R1.477 COC(=O)CNCC1CCOC1 2230a_100000737293_100000747449 [0,0,0,1,0,0|2,0,1]=4 2697 B12R1.477 COC(=O)CNCC1CCOC1 34a_100000737293_100000747449 [0,0,0,1,0,0|2,0,1]=4 2698 B12R1.477 COC(=O)CNC[C@@H]1CCCO1 2230a_100020590478_100000747449 [0,0,0,1,0,0|2,0,1]=4 2699 B12R1.477 COC(=O)CNC[C@@H]1CCCO1 34a_100020590478_100000747449 [0,0,0,1,0,0|2,0,1]=4 2700 B12R1.477 COC(=O)COCC1CCCC1 34a_100000742336_100000747449 [0,0,0,1,0,0|1,0,1]=3 2701 B12R1.477 COC(=O)COCC1CCCC1 7a_100000742336_100000747449 [0,0,0,1,0,0|1,0,1]=3 2702 B12R1.477 COC(=O)COCC1CCCO1 34a_100000210270_100000747449 [0,0,0,1,0,0|2,0,1]=4 2703 B12R1.477 COC(=O)COCC1CCCO1 7a_100000210270_100000747449 [0,0,0,1,0,0|2,0,1]=4 2704 B12R1.477 COC(=O)COCC1CCNC1 34a_100000748654_100000747449 [0,0,0,1,0,0|2,0,1]=4 2705 B12R1.477 COC(=O)COCC1CCOC1 34a_100000740260_100000747449 [0,0,0,1,0,0|2,0,1]=4 2706 B12R1.477 COC(=O)COC[C@H]1CCCN1 34a_100000745186_100000747449 [0,0,0,1,0,0|2,0,1]=4 2707 B12R1.477 COC(=O)CSCC1CCCC1 62a_100000740388_100000747449 [0,0,0,1,0,0|1,0,1]=3 2708 B12R1.477 COC(=O)CSCC1CCCC1 62a_100000747449_100000740388 [0,0,0,1,0,0|1,0,1]=3 2709 B12R1.477 COC(=O)CSCC1CCCO1 62a_100000203698_100000747449 [0,0,0,1,0,0|2,0,1]=4 2710 B12R1.477 COC(=O)CSCC1CCCO1 62a_100000747449_100000203698 [0,0,0,1,0,0|2,0,1]=4 2711 B12R1.477 COC(=O)CSCC1CCOC1 62a_100000702531_100000747449 [0,0,0,1,0,0|2,0,1]=4 2712 B12R1.477 COC(=O)CSCC1CCOC1 62a_100000747449_100000702531 [0,0,0,1,0,0|2,0,1]=4 2713 B12R1.477 COC(=O)OCSC1CCCC1 62a_100011217020_100000139417 [0,0,0,1,0,0|2,0,1]=4 2714 B12R1.1412 CCCCCN1CC1C(=O)OC 2230a_200009830135_100000210326 [0,0,0,1,0,0|1,0,2]=4 2715 B12R1.1659 CCC(=O)N1CCCCCCC1 11a_100000211400_100000210414 [0,0,0,1,0,0|2,0,1]=4 2716 B12R1.1659 CCC(=O)N1CCCCCCC1 1626a_100000211400_100000210414 [0,0,0,1,0,0|2,0,1]=4 2717 B12R1.1659 CCC(=O)N1CCCCCCC1 240690a_100000211400_100000210414 [0,0,0,1,0,0|2,0,1]=4 2718 B12R1.1659 CCC(=O)N1CCCCCCC1 527a_100000211400_100000210414 [0,0,0,1,0,0|2,0,1]=4 2719 B12R1.1659 CNC(=O)N1CCCCCCC1 2708a_100102657272_100000211400 [0,0,0,1,0,0|2,0,1]=4 2720 B12R1.1659 CNC(=O)N1CCCCCCC1 273464a_100102657272_100000211400 [0,0,0,1,0,0|2,0,1]=4 2721 B12R1.1748 CCC(=O)C=C1CCCCCC1 1458a_100011240665_100000210202 [0,0,0,1,0,0|1,0,0]=2 2722 B12R1.1748 CCC(=O)CC1CCCCCC1 1458a_100000210414_200000696569 [0,0,0,1,0,0|1,0,2]=4 2723 B12R1.1748 CCC(=O)CC1CCCCCC1 1458a_100000685095_100000210202 [0,0,0,1,0,0|1,0,2]=4 2724 B12R1.1748 CCC(=O)CN1CCCCCC1 1458a_100000740298_100000210202 [0,0,0,1,0,0|2,0,1]=4 2725 B12R1.1748 CCC(=O)CN1CCCCCC1 269982a_100000185865_100000747405 [0,0,0,1,0,0|2,0,1]=4 2726 B12R1.1748 CCC(=O)NC1CCCCCC1 11a_100000210984_100000210414 [0,0,0,1,0,0|2,0,1]=4 2727 B12R1.1748 CCC(=O)NC1CCCCCC1 1626a_100000210984_100000210414 [0,0,0,1,0,0|2,0,1]=4 2728 B12R1.1748 CCC(=O)NC1CCCCCC1 240690a_100000210984_100000210414 [0,0,0,1,0,0|2,0,1]=4 2729 B12R1.1748 CCC(=O)NC1CCCCCC1 527a_100000210984_100000210414 [0,0,0,1,0,0|2,0,1]=4 2730 B12R1.1748 CNC(=O)C=C1CCCCCC1 11a_106832991635_100011240665 [0,0,0,1,0,0|1,0,0]=2 2731 B12R1.1748 CNC(=O)C=C1CCCCCC1 1626a_100102657272_100011240665 [0,0,0,1,0,0|1,0,0]=2 2732 B12R1.1748 CNC(=O)C=C1CCCCCC1 240690a_100102657272_100011240665 [0,0,0,1,0,0|1,0,0]=2 2733 B12R1.1748 CNC(=O)CC1CCCCCC1 11a_106832991635_100000685095 [0,0,0,1,0,0|1,0,2]=4 2734 B12R1.1748 CNC(=O)CC1CCCCCC1 1626a_100102657272_100000685095 [0,0,0,1,0,0|1,0,2]=4 2735 B12R1.1748 CNC(=O)CC1CCCCCC1 240690a_100102657272_100000685095 [0,0,0,1,0,0|1,0,2]=4 2736 B12R1.1748 CNC(=O)CC1CCCCCC1 527a_100102657272_100000685095 [0,0,0,1,0,0|1,0,2]=4 2737 B12R1.1748 CNC(=O)CN1CCCCCC1 11a_106832991635_100000740298 [0,0,0,1,0,0|2,0,1]=4 2738 B12R1.1748 CNC(=O)CN1CCCCCC1 2230a_100000185865_100000183359 [0,0,0,1,0,0|2,0,1]=4 2739 B12R1.1748 CNC(=O)CN1CCCCCC1 240690a_100102657272_100000740298 [0,0,0,1,0,0|2,0,1]=4 2740 B12R1.1748 CNC(=O)CN1CCCCCC1 269982a_100000185865_100000183359 [0,0,0,1,0,0|2,0,1]=4 2741 B12R1.1748 CNC(=O)CN1CCCCCC1 34a_100000185865_100000183359 [0,0,0,1,0,0|2,0,1]=4 2742 B12R1.1748 CNC(=O)CN1CCCCCC1 527a_100102657272_100000740298 [0,0,0,1,0,0|2,0,1]=4 2743 B12R1.1748 CNC(=O)NC1CCCCCC1 2708a_100000210984_106832991635 [0,0,0,1,0,0|2,0,1]=4 2744 B12R1.1748 CNC(=O)NC1CCCCCC1 2708a_100102657272_100000210984 [0,0,0,1,0,0|2,0,1]=4 2745 B12R1.1748 CNC(=O)NC1CCCCCC1 273464a_100000210984_100102657272 [0,0,0,1,0,0|2,0,1]=4 2746 B12R1.1748 CNC(=O)NC1CCCCCC1 273464a_100102657272_100000210984 [0,0,0,1,0,0|2,0,1]=4 2747 B12R1.1748 CNC(=O)NC1CCCCCC1 512a_106832991638_100000210984 [0,0,0,1,0,0|2,0,1]=4 2748 B12R1.1748 COC(=O)CN1CCCCCC1 2230a_100000185865_100000747449 [0,0,0,1,0,0|1,0,1]=3 2749 B12R1.1748 COC(=O)CN1CCCCCC1 269982a_100000185865_100000747449 [0,0,0,1,0,0|1,0,1]=3 2750 B12R1.1748 COC(=O)CN1CCCCCC1 34a_100000185865_100000747449 [0,0,0,1,0,0|1,0,1]=3 2751 B12R1.1748 COC(=O)CN1CCCOCC1 2230a_100000685342_100000747449 [0,0,0,1,0,0|2,0,1]=4 2752 B12R1.1748 COC(=O)CN1CCCOCC1 269982a_100000685342_100000747449 [0,0,0,1,0,0|2,0,1]=4 2753 B12R1.1748 COC(=O)CN1CCCOCC1 34a_100000685342_100000747449 [0,0,0,1,0,0|2,0,1]=4 2754 B12R1.1748 O=C(C=C1CCCCCC1)CF 1458a_100011240665_100015361967 [0,0,0,1,0,0|2,0,0]=3 2755 B9R0.2 CC(=O)CCCCCCF 1458a_100000070787_100015922095 [2,0,0,0,0,0|1,0,1]=4 2756 B9R0.2 CC(=O)CCCCCCO 1458a_100000070787_100000766143 [2,0,0,0,0,0|1,0,1]=4 2757 B9R0.2 CC(=O)CCCCCCO 1458a_100011996774_200000210301 [2,0,0,0,0,0|1,0,1]=4 2758 B9R0.2 CC(=O)NCCCCCO 240690a_100000762737_100015343762 [2,0,0,0,0,0|2,0,0]=4 2759 B9R0.2 CC(=O)NCCCCN[13CH3] 2230a_200011368371_200025704644 [2,0,0,0,0,0|2,0,0]=4 2760 B9R0.2 CC(=O)NCCCCN[13CH3] 34a_200011368371_200025704644 [2,0,0,0,0,0|2,0,0]=4 2761 B9R0.2 CC(=O)OCCCCO[13CH3] 34a_100000073216_200025704644 [2,0,0,0,0,0|2,0,0]=4 2762 B9R0.2 CC(=O)OCCCCO[13CH3] 7a_100000073216_200025704644 [2,0,0,0,0,0|2,0,0]=4 2763 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_100000033659_200025704644 [2,0,0,0,0,0|2,0,0]=4 2764 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_200025704644_100000033659 [2,0,0,0,0,0|2,0,0]=4 2765 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200010402107_200025704644 [2,0,0,0,0,0|2,0,0]=4 2766 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200025704644_200010402107 [2,0,0,0,0,0|2,0,0]=4 2767 B9R0.2 CCC/C=C/C=CC(=O)C 1458a_200016258893_200000210301 [2,0,0,0,0,0|0,0,2]=4 2768 B9R0.2 CCC/C=C/C=CC(=O)[13CH3] 1458a_200016258893_200025704644 [2,0,0,0,0,0|0,0,2]=4 2769 B9R0.2 CCCC/C=C/CC(=O)C 1458a_200016282684_200000210301 [2,0,0,0,0,0|0,0,2]=4 2770 B9R0.2 CCCC/C=C/CC(=O)[13CH3] 1458a_200016282684_200025704644 [2,0,0,0,0,0|0,0,2]=4 2771 B9R0.2 CCCCCC#CC(=O)C 1458a_100011215388_200000210301 [2,0,0,0,0,0|0,0,2]=4 2772 B9R0.2 CCCCCC#CC(=O)[13CH3] 1458a_100011215388_200025704644 [2,0,0,0,0,0|0,0,2]=4 2773 B9R0.2 CCCCCC=CC(=O)C 1458a_100016263427_200000210301 [2,0,0,0,0,0|0,0,0]=2 2774 B9R0.2 CCCCCC=CC(=O)[13CH3] 1458a_100016263427_200025704644 [2,0,0,0,0,0|0,0,0]=2 2775 B9R0.2 CCCCCCCC(=O)C 1458a_100000070787_100000210614 [2,0,0,0,0,0|0,0,1]=3 2776 B9R0.2 CCCCCCCC(=O)C 1458a_100000211969_200000210301 [2,0,0,0,0,0|0,0,1]=3 2777 B9R0.2 CCCCCCCC(=O)[13CH3] 1458a_100000211969_200025704644 [2,0,0,0,0,0|0,0,1]=3 2778 B9R0.2 CCCCCCNC(=O)C 11a_100000210581_100015343762 [2,0,0,0,0,0|1,0,0]=3 2779 B9R0.2 CCCCCCNC(=O)C 1626a_100000210581_100015343762 [2,0,0,0,0,0|1,0,0]=3 2780 B9R0.2 CCCCCCNC(=O)C 240690a_100000210581_100015343762 [2,0,0,0,0,0|1,0,0]=3 2781 B9R0.2 CCCCCCNC(=O)C 527a_100000210581_100103153847 [2,0,0,0,0,0|1,0,0]=3 2782 B9R0.2 CCCCCNCC(=O)O 269956a_100016091260_100000210326 [2,0,0,0,0,0|1,0,1]=4 2783 B9R0.2 CCCCCNNC(=O)C 22a_100000694160_100000070787 [2,0,0,0,0,0|2,0,0]=4 2784 B9R0.2 CCCCCOCC(=O)C 34a_100000211253_100000718602 [2,0,0,0,0,0|1,0,1]=4 2785 B9R0.2 CCCCNCC=C(C)C 2230a_100000102301_100000761012 [2,0,0,0,0,0|2,0,0]=4 2786 B9R0.2 CCCCNCC=C(C)C 34a_100000718196_100000210210 [2,0,0,0,0,0|2,0,0]=4 2787 B9R0.2 CCCCNCC=C(C)C 7a_106832991798_100000761012 [2,0,0,0,0,0|2,0,0]=4 2788 B9R0.2 CCCCNCCC(=O)C 7a_106832991798_100000053229 [2,0,0,0,0,0|1,0,1]=4 2789 B9R0.2 CCCCOCC=C(C)C 34a_100000210227_100000761012 [2,0,0,0,0,0|2,0,0]=4 2790 B9R0.2 CCCCOCC=C(C)C 34a_100000753907_100000210210 [2,0,0,0,0,0|2,0,0]=4 2791 B9R0.2 CCCCOCC=C(C)C 7a_100000210227_100000761012 [2,0,0,0,0,0|2,0,0]=4 2792 B9R0.2 CCCCOCCC(=O)C 1458a_100000070787_100000743108 [2,0,0,0,0,0|1,0,1]=4 2793 B9R0.2 CCCCOCCC(=O)C 34a_100000759926_100000210210 [2,0,0,0,0,0|1,0,1]=4 2794 B9R0.2 CCCCOCCC(=O)C 7a_100000210227_100000053229 [2,0,0,0,0,0|1,0,1]=4 2795 B9R0.2 CCCCOCCC(=O)C 7a_100000759926_100000210211 [2,0,0,0,0,0|1,0,1]=4 2796 B9R0.2 CCCCOCOC(=O)C 34a_100000210227_100009813279 [2,0,0,0,0,0|2,0,0]=4 2797 B9R0.2 CCCCSCC=C(C)C 62a_100000210211_100000761012 [2,0,0,0,0,0|2,0,0]=4 2798 B9R0.2 CCCCSCC=C(C)C 62a_100000761012_100000210210 [2,0,0,0,0,0|2,0,0]=4 2799 B9R0.2 CCCCSCCC(=O)C 62a_100000053229_100000210210 [2,0,0,0,0,0|1,0,1]=4 2800 B9R0.2 CCCCSCCC(=O)C 62a_100000210211_100000053229 [2,0,0,0,0,0|1,0,1]=4 2801 B9R0.2 CCCCSCOC(=O)C 62a_100000076356_100000210210 [2,0,0,0,0,0|2,0,0]=4 2802 B9R0.2 CCCCSCOC(=O)C 62a_100000210211_100000076356 [2,0,0,0,0,0|2,0,0]=4 2803 B9R0.2 CCCNCCNC(=O)C 2230a_100000209853_100000210303 [2,0,0,0,0,0|2,0,0]=4 2804 B9R0.2 CCCOCCC=C(C)C 34a_100000210258_100011217483 [2,0,0,0,0,0|2,0,0]=4 2805 B9R0.2 CCCOCCCC(=O)C 34a_100000210258_100000685027 [2,0,0,0,0,0|1,0,1]=4 2806 B9R0.2 CCCOCCCC(=O)C 34a_100000759063_100000210303 [2,0,0,0,0,0|1,0,1]=4 2807 B9R0.2 CCCOCCCC(=O)C 7a_100000759063_100000210303 [2,0,0,0,0,0|1,0,1]=4 2808 B9R0.2 CCCOCCNC(=O)C 1626a_100161115042_100015343762 [2,0,0,0,0,0|2,0,0]=4 2809 B9R0.2 CCCOCCNC(=O)C 240690a_100161115042_100015343762 [2,0,0,0,0,0|2,0,0]=4 2810 B9R0.2 CCCOCCNC(=O)C 34a_100000158858_100000210303 [2,0,0,0,0,0|2,0,0]=4 2811 B9R0.2 CCCOCCNC(=O)C 527a_100161115042_100103153847 [2,0,0,0,0,0|2,0,0]=4 2812 B9R0.2 CCCOCCOC(=O)C 34a_100000210258_100009814007 [2,0,0,0,0,0|2,0,0]=4 2813 B9R0.2 CCCSCCC=C(C)C 62a_100000210303_100011217483 [2,0,0,0,0,0|2,0,0]=4 2814 B9R0.2 CCCSCCC=C(C)C 62a_100011217483_100000210303 [2,0,0,0,0,0|2,0,0]=4 2815 B9R0.2 CCCSCCCC(=O)C 62a_100000210303_100011215641 [2,0,0,0,0,0|1,0,1]=4 2816 B9R0.2 CCCSCCCC(=O)C 62a_100011215641_100000210303 [2,0,0,0,0,0|1,0,1]=4 2817 B9R0.2 CCCSCCNC(=O)C 11a_100020603323_100015343762 [2,0,0,0,0,0|2,0,0]=4 2818 B9R0.2 CCCSCCNC(=O)C 240690a_100020603323_100015343762 [2,0,0,0,0,0|2,0,0]=4 2819 B9R0.2 CCCSCCNC(=O)C 527a_100020603323_100103153847 [2,0,0,0,0,0|2,0,0]=4 2820 B9R0.2 CCCSCCNC(=O)C 62a_100000189650_100000210303 [2,0,0,0,0,0|2,0,0]=4 2821 B9R0.2 CCCSCCNC(=O)C 62a_100000210303_100000189650 [2,0,0,0,0,0|2,0,0]=4 2822 B9R0.2 CCCSCCOC(=O)C 62a_100000210303_100009814007 [2,0,0,0,0,0|2,0,0]=4 2823 B9R0.2 CCCSCCOC(=O)C 62a_100009814007_100000210303 [2,0,0,0,0,0|2,0,0]=4 2824 B9R0.2 CCNCCCNC(=O)C 34a_100000736810_100000210202 [2,0,0,0,0,0|2,0,0]=4 2825 B9R0.2 CCNCCCSC(=O)C 2230a_100015525214_100000038929 [2,0,0,0,0,0|2,0,0]=4 2826 B9R0.2 CCOCCCCC(=O)C 34a_100121572206_100009817362 [2,0,0,0,0,0|1,0,1]=4 2827 B9R0.2 CCOCCCNC(=O)C 11a_100000210961_100015343762 [2,0,0,0,0,0|2,0,0]=4 2828 B9R0.2 CCOCCCNC(=O)C 1626a_100000210961_100015343762 [2,0,0,0,0,0|2,0,0]=4 2829 B9R0.2 CCOCCCNC(=O)C 240690a_100000210961_100015343762 [2,0,0,0,0,0|2,0,0]=4 2830 B9R0.2 CCOCCCNC(=O)C 34a_100000752032_100000210202 [2,0,0,0,0,0|2,0,0]=4 2831 B9R0.2 CCOCCCNC(=O)C 527a_100000210961_100103153847 [2,0,0,0,0,0|2,0,0]=4 2832 B9R0.2 CCOCCCOC(=O)C 34a_100121572206_100000042594 [2,0,0,0,0,0|2,0,0]=4 2833 B9R0.2 CCOCCCSC(=O)C 34a_100121572206_100000038929 [2,0,0,0,0,0|2,0,0]=4 2834 B9R0.2 CCSCCCCC(=O)C 62a_100000210202_100000735457 [2,0,0,0,0,0|1,0,1]=4 2835 B9R0.2 CCSCCCCC(=O)C 62a_100000735457_100000210202 [2,0,0,0,0,0|1,0,1]=4 2836 B9R0.2 CCSCCCOC(=O)C 62a_100000042594_100000210202 [2,0,0,0,0,0|2,0,0]=4 2837 B9R0.2 CCSCCCOC(=O)C 62a_100000210202_100000042594 [2,0,0,0,0,0|2,0,0]=4 2838 B9R0.2 CCSCCCSC(=O)C 62a_100000038929_100000210202 [2,0,0,0,0,0|2,0,0]=4 2839 B9R0.2 CCSCCCSC(=O)C 62a_100000210202_100000038929 [2,0,0,0,0,0|2,0,0]=4 2840 B9R0.2 CNCCCCNC(=O)C 2230a_200011368371_200000210301 [2,0,0,0,0,0|2,0,0]=4 2841 B9R0.2 CNCCCCNC(=O)C 34a_200011368371_200000210301 [2,0,0,0,0,0|2,0,0]=4 2842 B9R0.2 CNCCCCOC(=O)C 34a_100102657272_100000033659 [2,0,0,0,0,0|2,0,0]=4 2843 B9R0.2 CNCCCCOC(=O)C 7a_106832991635_100000033659 [2,0,0,0,0,0|2,0,0]=4 2844 B9R0.2 CNCCCCSC(=O)C 2230a_106832991635_200010402107 [2,0,0,0,0,0|2,0,0]=4 2845 B9R0.2 CNCCCCSC(=O)C 34a_100102657272_200010402107 [2,0,0,0,0,0|2,0,0]=4 2846 B9R0.2 CNCCCCSC(=O)C 7a_106832991635_200010402107 [2,0,0,0,0,0|2,0,0]=4 2847 B9R0.2 COCCCCCC(=O)C 1458a_100011935119_200000210301 [2,0,0,0,0,0|1,0,1]=4 2848 B9R0.2 COCCCCCC(=O)[13CH3] 1458a_100011935119_200025704644 [2,0,0,0,0,0|1,0,1]=4 2849 B9R0.2 COCCCCOC(=O)C 34a_100000073216_200000210301 [2,0,0,0,0,0|2,0,0]=4 2850 B9R0.2 COCCCCOC(=O)C 34a_100138415774_100000033659 [2,0,0,0,0,0|2,0,0]=4 2851 B9R0.2 COCCCCOC(=O)C 7a_100000073216_200000210301 [2,0,0,0,0,0|2,0,0]=4 2852 B9R0.2 COCCCCSC(=O)C 34a_100138415774_200010402107 [2,0,0,0,0,0|2,0,0]=4 2853 B9R0.2 CSCCCCOC(=O)C 62a_100000033659_200000210301 [2,0,0,0,0,0|2,0,0]=4 2854 B9R0.2 CSCCCCOC(=O)C 62a_200000210301_100000033659 [2,0,0,0,0,0|2,0,0]=4 2855 B9R0.2 CSCCCCSC(=O)C 62a_200000210301_200010402107 [2,0,0,0,0,0|2,0,0]=4 2856 B9R0.2 CSCCCCSC(=O)C 62a_200010402107_200000210301 [2,0,0,0,0,0|2,0,0]=4 2857 B9R0.2 [13CH3]C(=O)CCCCCCO 1458a_100011996774_200025704644 [2,0,0,0,0,0|1,0,1]=4 2858 B9R0.45 C/C=C/C=C/COCCC 34a_100016283227_100000210303 [2,0,0,0,0,0|1,0,1]=4 2859 B9R0.45 C/C=C/CCOCCCC 34a_100016278192_100000210210 [2,0,0,0,0,0|1,0,1]=4 2860 B9R0.45 C/C=C/COCCCCC 34a_100000210253_100102629194 [2,0,0,0,0,0|1,0,1]=4 2861 B9R0.45 C/C=C/COCCCCC 34a_100016270725_100000718602 [2,0,0,0,0,0|1,0,1]=4 2862 B9R0.45 C/C=C/COCCCCC 7a_100000210253_100102629194 [2,0,0,0,0,0|1,0,1]=4 2863 B9R0.45 C/C=C/CSCCCCC 62a_100000210326_100102629194 [2,0,0,0,0,0|1,0,1]=4 2864 B9R0.45 C/C=C/CSCCCCC 62a_100102629194_100000210326 [2,0,0,0,0,0|1,0,1]=4 2865 B9R0.45 CC/C=C/CCCOCC 34a_100016287902_100000210202 [2,0,0,0,0,0|1,0,1]=4 2866 B9R0.45 CC/C=C/CCCOCC 7a_100016287902_100000210202 [2,0,0,0,0,0|1,0,1]=4 2867 B9R0.45 CC/C=C\CCCCOC 34a_100016287862_200000210301 [2,0,0,0,0,0|1,0,1]=4 2868 B9R0.45 CC/C=C\CCCCOC 7a_100016287862_200000210301 [2,0,0,0,0,0|1,0,1]=4 2869 B9R0.45 CC/C=C\CCCCO[13CH3] 34a_100016287862_200025704644 [2,0,0,0,0,0|1,0,1]=4 2870 B9R0.45 CC/C=C\CCCCO[13CH3] 7a_100016287862_200025704644 [2,0,0,0,0,0|1,0,1]=4 2871 B9R0.45 CC/C=C\CCOCCC 34a_100000210258_100015370543 [2,0,0,0,0,0|1,0,1]=4 2872 B9R0.45 CC/C=C\CCOCCC 34a_100016288707_100000210303 [2,0,0,0,0,0|1,0,1]=4 2873 B9R0.45 CC/C=C\CCOCCC 7a_100016288707_100000210303 [2,0,0,0,0,0|1,0,1]=4 2874 B9R0.45 CC/C=C\CCSCCC 62a_100000210303_100015370543 [2,0,0,0,0,0|1,0,1]=4 2875 B9R0.45 CC/C=C\CCSCCC 62a_100015370543_100000210303 [2,0,0,0,0,0|1,0,1]=4 2876 B9R0.45 CC/C=C\CNCCCC 2230a_100000102301_100103147603 [2,0,0,0,0,0|1,0,1]=4 2877 B9R0.45 CC/C=C\CNCCCC 7a_106832991798_100103147603 [2,0,0,0,0,0|1,0,1]=4 2878 B9R0.45 CC/C=C\COCCCC 34a_100000210227_100103147603 [2,0,0,0,0,0|1,0,1]=4 2879 B9R0.45 CC/C=C\COCCCC 34a_100016268518_100000210210 [2,0,0,0,0,0|1,0,1]=4 2880 B9R0.45 CC/C=C\COCCCC 7a_100000210227_100103147603 [2,0,0,0,0,0|1,0,1]=4 2881 B9R0.45 CC/C=C\CSCCCC 62a_100000210211_100103147603 [2,0,0,0,0,0|1,0,1]=4 2882 B9R0.45 CC/C=C\CSCCCC 62a_100103147603_100000210210 [2,0,0,0,0,0|1,0,1]=4 2883 B9R0.45 CC=C=CCCOCCC 34a_100011020354_100000210303 [2,0,0,0,0,0|1,0,1]=4 2884 B9R0.45 CC=CCCCOCCC 34a_100020645299_100000210303 [2,0,0,0,0,0|1,0,1]=4 2885 B9R0.45 CC=CCNCCCCC 2230a_100000209983_100000070051 [2,0,0,0,0,0|1,0,1]=4 2886 B9R0.45 CC=CCOCCCCC 34a_100000210253_100000070051 [2,0,0,0,0,0|1,0,1]=4 2887 B9R0.45 CC=CCOCCCCC 7a_100000210253_100000070051 [2,0,0,0,0,0|1,0,1]=4 2888 B9R0.45 CC=CCSCCCCC 62a_100000070051_100000210326 [2,0,0,0,0,0|1,0,1]=4 2889 B9R0.45 CC=CCSCCCCC 62a_100000210326_100000070051 [2,0,0,0,0,0|1,0,1]=4 2890 B9R0.45 CCCCC/C=C/COC 34a_100016258190_200000210301 [2,0,0,0,0,0|0,0,1]=3 2891 B9R0.45 CCCCC/C=C/COC 7a_100016258190_200000210301 [2,0,0,0,0,0|0,0,1]=3 2892 B9R0.45 CCCCC/C=C/CO[13CH3] 34a_100016258190_200025704644 [2,0,0,0,0,0|0,0,1]=3 2893 B9R0.45 CCCCC/C=C/CO[13CH3] 7a_100016258190_200025704644 [2,0,0,0,0,0|0,0,1]=3 2894 B9R0.45 CCCCCCCCOC 34a_100000210232_200000210301 [2,0,0,0,0,0|0,0,2]=4 2895 B9R0.45 CCCCCCCCOC 34a_100138415774_100000210759 [2,0,0,0,0,0|0,0,2]=4 2896 B9R0.45 CCCCCCCCOC 7a_100000210232_200000210301 [2,0,0,0,0,0|0,0,2]=4 2897 B9R0.45 CCCCCCCCO[13CH3] 34a_100000210232_200025704644 [2,0,0,0,0,0|0,0,2]=4 2898 B9R0.45 CCCCCCCCO[13CH3] 7a_100000210232_200025704644 [2,0,0,0,0,0|0,0,2]=4 2899 B9R0.45 CCCCCCNCC=O 2230a_100000210581_200015260668 [2,0,0,0,0,0|1,0,1]=4 2900 B9R0.45 CCCCCCNCOC 2230a_100000210581_100000766300 [2,0,0,0,0,0|1,0,1]=4 2901 B9R0.45 CCCCCCOCC=O 34a_100000210259_200009817547 [2,0,0,0,0,0|1,0,1]=4 2902 B9R0.45 CCCCCCOCC=O 7a_100000210259_200015260668 [2,0,0,0,0,0|1,0,1]=4 2903 B9R0.45 CCCCCCSCC=O 62a_100000210314_200015260668 [2,0,0,0,0,0|1,0,1]=4 2904 B9R0.45 CCCCCCSCC=O 62a_200015260668_100000210757 [2,0,0,0,0,0|1,0,1]=4 2905 B9R0.45 CCCCCCSCOC 62a_100000210314_100000766300 [2,0,0,0,0,0|1,0,1]=4 2906 B9R0.45 CCCCCCSCOC 62a_100000766300_100000210757 [2,0,0,0,0,0|1,0,1]=4 2907 B9R0.46 C#CC(=O)CCCCCC 1458a_100000211873_100000210757 [2,0,0,0,0,0|1,0,1]=4 2908 B9R0.46 C=CC(=O)CCCCCC 1458a_100000185746_100000210757 [2,0,0,0,0,0|1,0,1]=4 2909 B9R0.46 CCC(=O)CCCCCF 1458a_100000210414_100000729378 [2,0,0,0,0,0|2,0,0]=4 2910 B9R0.46 CCC(=O)CCCCCO 1458a_100000210414_100000746330 [2,0,0,0,0,0|2,0,0]=4 2911 B9R0.46 CCC(=O)CCCCCO 1458a_100102619762_100000210202 [2,0,0,0,0,0|2,0,0]=4 2912 B9R0.46 CCC(=O)CCCCOC 1458a_100000210414_100000755781 [2,0,0,0,0,0|2,0,0]=4 2913 B9R0.46 CCCCC=CC(=O)CC 1458a_100016266645_100000210202 [2,0,0,0,0,0|1,0,0]=3 2914 B9R0.46 CCCCC=CC(=O)CF 1458a_100016266645_100015361967 [2,0,0,0,0,0|2,0,0]=4 2915 B9R0.46 CCCCC=CC(=O)NC 11a_106832991635_100016266645 [2,0,0,0,0,0|1,0,0]=3 2916 B9R0.46 CCCCC=CC(=O)NC 1626a_100102657272_100016266645 [2,0,0,0,0,0|1,0,0]=3 2917 B9R0.46 CCCCC=CC(=O)NC 240690a_100102657272_100016266645 [2,0,0,0,0,0|1,0,0]=3 2918 B9R0.46 CCCCCCC(=O)CC 1458a_100000210414_100000210757 [2,0,0,0,0,0|1,0,0]=3 2919 B9R0.46 CCCCCCC(=O)CC 1458a_100102632555_100000210202 [2,0,0,0,0,0|1,0,0]=3 2920 B9R0.46 CCCCCCC(=O)CF 1458a_100102632555_100015361967 [2,0,0,0,0,0|2,0,0]=4 2921 B9R0.46 CCCCCCC(=O)CO 1458a_100000210174_100000210757 [2,0,0,0,0,0|2,0,0]=4 2922 B9R0.46 CCCCCCC(=O)NC 11a_106832991635_100102632555 [2,0,0,0,0,0|1,0,0]=3 2923 B9R0.46 CCCCCCC(=O)NC 1626a_100102657272_100102632555 [2,0,0,0,0,0|1,0,0]=3 2924 B9R0.46 CCCCCCC(=O)NC 240690a_100102657272_100102632555 [2,0,0,0,0,0|1,0,0]=3 2925 B9R0.46 CCCCCCC(=O)NC 527a_100102657272_100102632555 [2,0,0,0,0,0|1,0,0]=3 2926 B9R0.46 CCCCCCC(C)OC 34a_100000210265_200000210301 [2,0,0,0,0,0|1,0,1]=4 2927 B9R0.46 CCCCCCC(C)OC 34a_100138415774_100011215978 [2,0,0,0,0,0|1,0,1]=4 2928 B9R0.46 CCCCCCC(C)OC 7a_100000210265_200000210301 [2,0,0,0,0,0|1,0,1]=4 2929 B9R0.46 CCCCCCC(C)O[13CH3] 34a_100000210265_200025704644 [2,0,0,0,0,0|1,0,1]=4 2930 B9R0.46 CCCCCCC(C)O[13CH3] 7a_100000210265_200025704644 [2,0,0,0,0,0|1,0,1]=4 2931 B9R0.46 CCCCCNC(=O)CC 11a_100000209983_100000210414 [2,0,0,0,0,0|2,0,0]=4 2932 B9R0.46 CCCCCNC(=O)CC 1626a_100000209983_100000210414 [2,0,0,0,0,0|2,0,0]=4 2933 B9R0.46 CCCCCNC(=O)CC 240690a_100000209983_100000210414 [2,0,0,0,0,0|2,0,0]=4 2934 B9R0.46 CCCCCNC(=O)CC 527a_100000209983_100000210414 [2,0,0,0,0,0|2,0,0]=4 2935 B9R0.46 CCCCCNC(=O)NC 2708a_100000209983_106832991635 [2,0,0,0,0,0|2,0,0]=4 2936 B9R0.46 CCCCCNC(=O)NC 2708a_100102657272_100000209983 [2,0,0,0,0,0|2,0,0]=4 2937 B9R0.46 CCCCCNC(=O)NC 273464a_100000209983_100102657272 [2,0,0,0,0,0|2,0,0]=4 2938 B9R0.46 CCCCCNC(=O)NC 273464a_100102657272_100000209983 [2,0,0,0,0,0|2,0,0]=4 2939 B9R0.46 CCCCCNC(=O)NC 512a_100000209983_100102657272 [2,0,0,0,0,0|2,0,0]=4 2940 B9R0.46 CCCCCNC(=O)NC 512a_106832991638_100000209983 [2,0,0,0,0,0|2,0,0]=4 2941 B9R0.46 CCCCNCC(=O)CC 7a_106832991798_100000747405 [2,0,0,0,0,0|2,0,0]=4 2942 B9R0.46 CCCCNCC(=O)NC 2230a_100000102301_100000183359 [2,0,0,0,0,0|2,0,0]=4 2943 B9R0.46 CCCCNCC(=O)NC 2230a_100000693194_100000210211 [2,0,0,0,0,0|2,0,0]=4 2944 B9R0.46 CCCCNCC(=O)NC 7a_106832991798_100000183359 [2,0,0,0,0,0|2,0,0]=4 2945 B9R0.46 CCCCNCC(=O)OC 2230a_100000102301_100000747449 [2,0,0,0,0,0|1,0,0]=3 2946 B9R0.46 CCCCNCC(=O)OC 7a_106832991798_100000747449 [2,0,0,0,0,0|1,0,0]=3 2947 B9R0.46 CCCCOCC(=O)CC 1458a_100000210414_100011995733 [2,0,0,0,0,0|2,0,0]=4 2948 B9R0.46 CCCCOCC(=O)CC 1458a_100000757543_100000210202 [2,0,0,0,0,0|2,0,0]=4 2949 B9R0.46 CCCCOCC(=O)CC 34a_100000725409_100000210210 [2,0,0,0,0,0|2,0,0]=4 2950 B9R0.46 CCCCOCC(=O)CC 7a_100000210227_100000747405 [2,0,0,0,0,0|2,0,0]=4 2951 B9R0.46 CCCCOCC(=O)NC 11a_106832991635_100000757543 [2,0,0,0,0,0|2,0,0]=4 2952 B9R0.46 CCCCOCC(=O)NC 1626a_100102657272_100000757543 [2,0,0,0,0,0|2,0,0]=4 2953 B9R0.46 CCCCOCC(=O)NC 240690a_100102657272_100000757543 [2,0,0,0,0,0|2,0,0]=4 2954 B9R0.46 CCCCOCC(=O)NC 34a_100000210227_100000183359 [2,0,0,0,0,0|2,0,0]=4 2955 B9R0.46 CCCCOCC(=O)NC 34a_100000750040_100000210210 [2,0,0,0,0,0|2,0,0]=4 2956 B9R0.46 CCCCOCC(=O)NC 527a_100102657272_100000757543 [2,0,0,0,0,0|2,0,0]=4 2957 B9R0.46 CCCCOCC(=O)NC 7a_100000210227_100000183359 [2,0,0,0,0,0|2,0,0]=4 2958 B9R0.46 CCCCOCC(=O)OC 34a_100000210227_100000747449 [2,0,0,0,0,0|1,0,0]=3 2959 B9R0.46 CCCCOCC(=O)OC 7a_100000210227_100000747449 [2,0,0,0,0,0|1,0,0]=3 2960 B9R0.46 CCCCSCC(=O)CC 1458a_100000191162_100000210202 [2,0,0,0,0,0|2,0,0]=4 2961 B9R0.46 CCCCSCC(=O)CC 62a_100000210211_100000747405 [2,0,0,0,0,0|2,0,0]=4 2962 B9R0.46 CCCCSCC(=O)CC 62a_100000747405_100000210210 [2,0,0,0,0,0|2,0,0]=4 2963 B9R0.46 CCCCSCC(=O)NC 11a_106832991635_100000191162 [2,0,0,0,0,0|2,0,0]=4 2964 B9R0.46 CCCCSCC(=O)NC 1626a_100102657272_100000191162 [2,0,0,0,0,0|2,0,0]=4 2965 B9R0.46 CCCCSCC(=O)NC 240690a_100102657272_100000191162 [2,0,0,0,0,0|2,0,0]=4 2966 B9R0.46 CCCCSCC(=O)NC 527a_100102657272_100000191162 [2,0,0,0,0,0|2,0,0]=4 2967 B9R0.46 CCCCSCC(=O)NC 62a_100000183359_100000210210 [2,0,0,0,0,0|2,0,0]=4 2968 B9R0.46 CCCCSCC(=O)NC 62a_100000210211_100000183359 [2,0,0,0,0,0|2,0,0]=4 2969 B9R0.46 CCCCSCC(=O)OC 62a_100000210211_100000747449 [2,0,0,0,0,0|1,0,0]=3 2970 B9R0.46 CCCCSCC(=O)OC 62a_100000747449_100000210210 [2,0,0,0,0,0|1,0,0]=3 2971 B9R0.46 CCCNCCC(=O)NC 2230a_100000738227_100000210303 [2,0,0,0,0,0|2,0,0]=4 2972 B9R0.46 CCCNCCC(=O)NC 34a_100000738227_100000210303 [2,0,0,0,0,0|2,0,0]=4 2973 B9R0.46 CCCNN=CC(=O)OC 4a_100000740057_200011823558 [2,0,0,0,0,0|2,0,0]=4 2974 B9R0.46 CCCOCCC(=O)CC 1458a_100000210414_100011215938 [2,0,0,0,0,0|2,0,0]=4 2975 B9R0.46 CCCOCCC(=O)NC 34a_100000210258_100012179268 [2,0,0,0,0,0|2,0,0]=4 2976 B9R0.46 CCCOCCC(=O)NC 34a_100000754576_100000210303 [2,0,0,0,0,0|2,0,0]=4 2977 B9R0.46 CCCOCCC(=O)OC 34a_100000210258_100000742370 [2,0,0,0,0,0|1,0,0]=3 2978 B9R0.46 CCCSCCC(=O)NC 62a_100000210303_100000737683 [2,0,0,0,0,0|2,0,0]=4 2979 B9R0.46 CCCSCCC(=O)NC 62a_100000737683_100000210303 [2,0,0,0,0,0|2,0,0]=4 2980 B9R0.46 CCCSCCC(=O)OC 62a_100000204255_100000210303 [2,0,0,0,0,0|1,0,0]=3 2981 B9R0.46 CCCSCCC(=O)OC 62a_100000210303_100000204255 [2,0,0,0,0,0|1,0,0]=3 2982 B9R0.46 CCCSCOC(=O)OC 62a_100000210303_100000139417 [2,0,0,0,0,0|2,0,0]=4 2983 B9R0.46 CCNC/C=C/C(=O)OC 2230a_100015525214_100000742655 [2,0,0,0,0,0|1,0,0]=3 2984 B9R0.46 CCNCCCC(=O)NC 2230a_100000740002_100000210202 [2,0,0,0,0,0|2,0,0]=4 2985 B9R0.46 CCNCCCC(=O)NC 2230a_100015525214_100000741757 [2,0,0,0,0,0|2,0,0]=4 2986 B9R0.46 CCNCCCC(=O)NC 34a_100000740002_100000210202 [2,0,0,0,0,0|2,0,0]=4 2987 B9R0.46 CCNCCCC(=O)OC 2230a_100015525214_100011218270 [2,0,0,0,0,0|1,0,0]=3 2988 B9R0.46 CCOC/C=C/C(=O)OC 34a_100121572206_100000742655 [2,0,0,0,0,0|1,0,0]=3 2989 B9R0.46 CCOCCCC(=O)CC 1458a_100000210414_100012232248 [2,0,0,0,0,0|2,0,0]=4 2990 B9R0.46 CCOCCCC(=O)NC 34a_100121572206_100000741757 [2,0,0,0,0,0|2,0,0]=4 2991 B9R0.46 CCOCCCC(=O)OC 34a_100121572206_100000742333 [2,0,0,0,0,0|1,0,0]=3 2992 B9R0.46 CCOCCNC(=O)OC 34a_100000757965_100000210202 [2,0,0,0,0,0|2,0,0]=4 2993 B9R0.46 CCOCCOC(=O)OC 34a_100010262106_100000210202 [2,0,0,0,0,0|2,0,0]=4 2994 B9R0.46 CCOCSCC(=O)OC 62a_100000739092_100000747449 [2,0,0,0,0,0|2,0,0]=4 2995 B9R0.46 CCOCSCC(=O)OC 62a_100000747449_100000739092 [2,0,0,0,0,0|2,0,0]=4 2996 B9R0.46 CCSC/C=C/C(=O)OC 62a_100000210202_100000742655 [2,0,0,0,0,0|1,0,0]=3 2997 B9R0.46 CCSC/C=C/C(=O)OC 62a_100000742655_100000210202 [2,0,0,0,0,0|1,0,0]=3 2998 B9R0.46 CCSCCCC(=O)NC 62a_100000210202_100000741757 [2,0,0,0,0,0|2,0,0]=4 2999 B9R0.46 CCSCCCC(=O)NC 62a_100000741757_100000210202 [2,0,0,0,0,0|2,0,0]=4 3000 B9R0.46 CCSCCCC(=O)OC 62a_100000210202_100011218270 [2,0,0,0,0,0|1,0,0]=3 3001 B9R0.46 CCSCCCC(=O)OC 62a_100011218270_100000210202 [2,0,0,0,0,0|1,0,0]=3 3002 B9R0.46 CNC(=O)CCCCCO 240690a_100102657272_100102619762 [2,0,0,0,0,0|2,0,0]=4 3003 B9R0.46 CNCCCCC(=O)OC 2230a_106832991635_100000204269 [2,0,0,0,0,0|1,0,0]=3 3004 B9R0.46 CNCCCCC(=O)OC 34a_100102657272_100000204269 [2,0,0,0,0,0|1,0,0]=3 3005 B9R0.46 CNCCCCC(=O)OC 7a_106832991635_100000204269 [2,0,0,0,0,0|1,0,0]=3 3006 B9R0.46 CNCCOCC(=O)OC 2230a_106832991635_100000090808 [2,0,0,0,0,0|2,0,0]=4 3007 B9R0.46 CNCCOCC(=O)OC 34a_100102657272_100000090808 [2,0,0,0,0,0|2,0,0]=4 3008 B9R0.46 CNCCOCC(=O)OC 7a_106832991635_100000090808 [2,0,0,0,0,0|2,0,0]=4 3009 B9R0.46 COC(=O)/C=C/CSCF 62a_100000742655_100015361967 [2,0,0,0,0,0|2,0,0]=4 3010 B9R0.46 COC(=O)/C=C/CSCF 62a_100015361967_100000742655 [2,0,0,0,0,0|2,0,0]=4 3011 B9R0.46 COC(=O)CCCCO[13CH3] 34a_100000059025_200025704644 [2,0,0,0,0,0|1,0,0]=3 3012 B9R0.46 COC(=O)CCCCO[13CH3] 7a_100000059025_200025704644 [2,0,0,0,0,0|1,0,0]=3 3013 B9R0.46 COC(=O)CCCCSC 62a_100000204269_200000210301 [2,0,0,0,0,0|1,0,0]=3 3014 B9R0.46 COC(=O)CCCCSC 62a_200000210301_100000204269 [2,0,0,0,0,0|1,0,0]=3 3015 B9R0.46 COC(=O)CCCCS[13CH3] 62a_100000204269_200025704644 [2,0,0,0,0,0|1,0,0]=3 3016 B9R0.46 COC(=O)CCCCS[13CH3] 62a_200025704644_100000204269 [2,0,0,0,0,0|1,0,0]=3 3017 B9R0.46 COC(=O)CCCSCF 62a_100011218270_100015361967 [2,0,0,0,0,0|2,0,0]=4 3018 B9R0.46 COC(=O)CCCSCF 62a_100015361967_100011218270 [2,0,0,0,0,0|2,0,0]=4 3019 B9R0.46 COC(=O)CCNCCF 34a_100000724931_100000742370 [2,0,0,0,0,0|2,0,0]=4 3020 B9R0.46 COC(=O)CCNCCO 2230a_100016997473_100000204255 [2,0,0,0,0,0|2,0,0]=4 3021 B9R0.46 COC(=O)CCNCCO 34a_100016990907_100000742370 [2,0,0,0,0,0|2,0,0]=4 3022 B9R0.46 COC(=O)CCOCCBr 34a_100000211926_100000742370 [2,0,0,0,0,0|2,0,0]=4 3023 B9R0.46 COC(=O)CCOCCN 34a_100000210304_100000742370 [2,0,0,0,0,0|2,0,0]=4 3024 B9R0.46 COC(=O)CCSCCF 62a_100000204255_100011217306 [2,0,0,0,0,0|2,0,0]=4 3025 B9R0.46 COC(=O)CCSCCF 62a_100011217306_100000204255 [2,0,0,0,0,0|2,0,0]=4 3026 B9R0.46 COC(=O)CCSCCO 62a_100000204255_100000211926 [2,0,0,0,0,0|2,0,0]=4 3027 B9R0.46 COC(=O)CCSCCO 62a_100000211926_100000204255 [2,0,0,0,0,0|2,0,0]=4 3028 B9R0.46 COC(=O)CCSCSC 62a_100000204255_100011218213 [2,0,0,0,0,0|2,0,0]=4 3029 B9R0.46 COC(=O)CCSCSC 62a_100011218213_100000204255 [2,0,0,0,0,0|2,0,0]=4 3030 B9R0.46 COC(=O)CNCCCF 2230a_100015189416_100000747449 [2,0,0,0,0,0|2,0,0]=4 3031 B9R0.46 COC(=O)CNCCCF 34a_100015189416_100000747449 [2,0,0,0,0,0|2,0,0]=4 3032 B9R0.46 COC(=O)CNCCSC 2230a_100020590264_100000747449 [2,0,0,0,0,0|2,0,0]=4 3033 B9R0.46 COC(=O)COCCCBr 34a_100011217188_100000747449 [2,0,0,0,0,0|2,0,0]=4 3034 B9R0.46 COC(=O)COCCCCl 34a_100000230001_100000747449 [2,0,0,0,0,0|2,0,0]=4 3035 B9R0.46 COC(=O)COCCCF 34a_100000759539_100000747449 [2,0,0,0,0,0|2,0,0]=4 3036 B9R0.46 COC(=O)COCCCN 34a_100000182051_100000747449 [2,0,0,0,0,0|2,0,0]=4 3037 B9R0.46 COC(=O)COCCSC 34a_100000230434_100000747449 [2,0,0,0,0,0|2,0,0]=4 3038 B9R0.46 COC(=O)COCCSC 62a_100000090808_200000210301 [2,0,0,0,0,0|2,0,0]=4 3039 B9R0.46 COC(=O)COCCSC 62a_200000210301_100000090808 [2,0,0,0,0,0|2,0,0]=4 3040 B9R0.46 COC(=O)COCCSC 7a_100000230434_100000747449 [2,0,0,0,0,0|2,0,0]=4 3041 B9R0.46 COC(=O)COCCS[13CH3] 62a_100000090808_200025704644 [2,0,0,0,0,0|2,0,0]=4 3042 B9R0.46 COC(=O)COCCS[13CH3] 62a_200025704644_100000090808 [2,0,0,0,0,0|2,0,0]=4 3043 B9R0.46 COC(=O)CSCCCF 62a_100000747449_100011934791 [2,0,0,0,0,0|2,0,0]=4 3044 B9R0.46 COC(=O)CSCCCF 62a_100011934791_100000747449 [2,0,0,0,0,0|2,0,0]=4 3045 B9R0.46 COC(=O)CSCCCO 62a_100000747449_100011215043 [2,0,0,0,0,0|2,0,0]=4 3046 B9R0.46 COC(=O)CSCCCO 62a_100011215043_100000747449 [2,0,0,0,0,0|2,0,0]=4 3047 B9R0.46 COC(=O)CSCCSC 62a_100000212216_100000747449 [2,0,0,0,0,0|2,0,0]=4 3048 B9R0.46 COC(=O)CSCCSC 62a_100000747449_100000751147 [2,0,0,0,0,0|2,0,0]=4 3049 B9R0.46 COCCCCC(=O)OC 34a_100000059025_200000210301 [2,0,0,0,0,0|1,0,0]=3 3050 B9R0.46 COCCCCC(=O)OC 34a_100138415774_100000204269 [2,0,0,0,0,0|1,0,0]=3 3051 B9R0.46 COCCCCC(=O)OC 7a_100000059025_200000210301 [2,0,0,0,0,0|1,0,0]=3 3052 B9R0.46 COCCNCC(=O)OC 2230a_100000209980_100000747449 [2,0,0,0,0,0|2,0,0]=4 3053 B9R0.46 COCCOCC(=O)OC 34a_100000210237_100000747449 [2,0,0,0,0,0|2,0,0]=4 3054 B9R0.46 COCCOCC(=O)OC 34a_100138415774_100000090808 [2,0,0,0,0,0|2,0,0]=4 3055 B9R0.46 COCCSCC(=O)OC 62a_100000233755_100000747449 [2,0,0,0,0,0|2,0,0]=4 3056 B9R0.46 COCCSCC(=O)OC 62a_100000747449_100000233755 [2,0,0,0,0,0|2,0,0]=4 3057 B9R0.46 COCSCCC(=O)OC 62a_100000204255_100000766300 [2,0,0,0,0,0|2,0,0]=4 3058 B9R0.46 COCSCCC(=O)OC 62a_100000766300_100000204255 [2,0,0,0,0,0|2,0,0]=4 3059 B11R0.2 C=C(C)CC(=O)CCCCCC 1458a_100102632555_100000748629 [1,1,0,0,0,0|1,0,1]=4 3060 B11R0.2 CC(=CC(=O)CCCCCF)C 1458a_100000211388_100000729378 [1,1,0,0,0,0|2,0,0]=4 3061 B11R0.2 CC(=CC(=O)CCCCCF)Cl 1458a_200042562850_100000729378 [1,1,0,0,0,0|2,0,0]=4 3062 B11R0.2 CC(=CC(=O)CCCCCF)I 1458a_100025716642_100000729378 [1,1,0,0,0,0|2,0,0]=4 3063 B11R0.2 CC(=CC(=O)CCCCCO)C 1458a_100000211388_100000746330 [1,1,0,0,0,0|2,0,0]=4 3064 B11R0.2 CC(=CC(=O)CCCCCO)Cl 1458a_200042562850_100000746330 [1,1,0,0,0,0|2,0,0]=4 3065 B11R0.2 CC(=CC(=O)CCCCCO)I 1458a_100025716642_100000746330 [1,1,0,0,0,0|2,0,0]=4 3066 B11R0.2 CCCCCCC(=O)C=C(C)C 1458a_100000211388_100000210757 [1,1,0,0,0,0|1,0,0]=3 3067 B11R0.2 CCCCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210757 [1,1,0,0,0,0|1,0,0]=3 3068 B11R0.2 CCCCCCC(=O)C=C(C)I 1458a_100025716642_100000210757 [1,1,0,0,0,0|1,0,0]=3 3069 B11R0.2 CCCCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210757 [1,1,0,0,0,0|2,0,0]=4 3070 B11R0.2 CCCCCCC(=O)CC(=O)N 1458a_100102632555_100000187820 [1,1,0,0,0,0|1,0,1]=4 3071 B11R0.2 CCCCCCC(=O)CC(=O)N 1458a_100134613110_100000210757 [1,1,0,0,0,0|1,0,1]=4 3072 B11R0.2 CCCCCCC(=O)CC(=O)[O-] 1458a_100102632555_100020667443 [1,1,0,0,0,0|0,0,2]=4 3073 B11R0.2 CCCCCCC(C)NC(=O)C 11a_100000210919_100015343762 [1,1,0,0,0,0|1,0,1]=4 3074 B11R0.2 CCCCCCC(C)NC(=O)C 1626a_100000210919_100015343762 [1,1,0,0,0,0|1,0,1]=4 3075 B11R0.2 CCCCCCC(C)NC(=O)C 240690a_100000210919_100015343762 [1,1,0,0,0,0|1,0,1]=4 3076 B11R0.2 CCCCCCC(C)NC(=O)C 527a_100000210919_100103153847 [1,1,0,0,0,0|1,0,1]=4 3077 B11R0.2 CCCCCCN(C)CC(=O)O 269956a_100000746989_100000210757 [1,1,0,0,0,0|1,0,1]=4 3078 B11R0.2 CCCCCNC(=O)C=C(C)C 11a_100000209983_100000211388 [1,1,0,0,0,0|2,0,0]=4 3079 B11R0.2 CCCCCNC(=O)C=C(C)C 1626a_100000209983_100000211388 [1,1,0,0,0,0|2,0,0]=4 3080 B11R0.2 CCCCCNC(=O)C=C(C)C 240690a_100000209983_100000211388 [1,1,0,0,0,0|2,0,0]=4 3081 B11R0.2 CCCCCNC(=O)C=C(C)Cl 11a_100000209983_200042562850 [1,1,0,0,0,0|2,0,0]=4 3082 B11R0.2 CCCCCNC(=O)C=C(C)Cl 1626a_100000209983_200042562850 [1,1,0,0,0,0|2,0,0]=4 3083 B11R0.2 CCCCCNC(=O)C=C(C)Cl 240690a_100000209983_200042562850 [1,1,0,0,0,0|2,0,0]=4 3084 B11R0.2 CCCCCNC(=O)C=C(C)I 11a_100000209983_100025716642 [1,1,0,0,0,0|2,0,0]=4 3085 B11R0.2 CCCCCNC(=O)C=C(C)I 1626a_100000209983_100025716642 [1,1,0,0,0,0|2,0,0]=4 3086 B11R0.2 CCCCCNC(=O)CC(=O)C 1458a_100000070787_100000230301 [1,1,0,0,0,0|1,0,1]=4 3087 B11R0.2 CCCCNCC(=O)NC(=O)C 7a_106832991798_100000183797 [1,1,0,0,0,0|2,0,0]=4 3088 B11R0.2 CCCCOCC(=O)C=C(C)C 1458a_100000211388_100011995733 [1,1,0,0,0,0|2,0,0]=4 3089 B11R0.2 CCCCOCC(=O)C=C(C)Cl 1458a_200042562850_100011995733 [1,1,0,0,0,0|2,0,0]=4 3090 B11R0.2 CCCCOCC(=O)C=C(C)I 1458a_100025716642_100011995733 [1,1,0,0,0,0|2,0,0]=4 3091 B11R0.2 CCCCOCC(=O)NC(=O)C 7a_100000210227_100000183797 [1,1,0,0,0,0|2,0,0]=4 3092 B11R0.2 CCCCSCC(=O)NC(=O)C 62a_100000210211_100000183797 [1,1,0,0,0,0|2,0,0]=4 3093 B11R0.2 CCCOCCC(=O)C=C(C)C 1458a_100000211388_100011215938 [1,1,0,0,0,0|2,0,0]=4 3094 B11R0.2 CCCOCCC(=O)C=C(C)Cl 1458a_200042562850_100011215938 [1,1,0,0,0,0|2,0,0]=4 3095 B11R0.2 CCCOCCC(=O)C=C(C)I 1458a_100025716642_100011215938 [1,1,0,0,0,0|2,0,0]=4 3096 B11R0.2 CCOCCCC(=O)C=C(C)C 1458a_100000211388_100012232248 [1,1,0,0,0,0|2,0,0]=4 3097 B11R0.2 CCOCCCC(=O)C=C(C)Cl 1458a_200042562850_100012232248 [1,1,0,0,0,0|2,0,0]=4 3098 B11R0.2 CCOCCCC(=O)C=C(C)I 1458a_100025716642_100012232248 [1,1,0,0,0,0|2,0,0]=4 3099 B11R0.2 COCCCCC(=O)C=C(C)C 1458a_100000211388_100000755781 [1,1,0,0,0,0|2,0,0]=4 3100 B11R0.2 COCCCCC(=O)C=C(C)Cl 1458a_200042562850_100000755781 [1,1,0,0,0,0|2,0,0]=4 3101 B11R0.2 COCCCCC(=O)C=C(C)I 1458a_100025716642_100000755781 [1,1,0,0,0,0|2,0,0]=4 3102 B11R0.30 CC(=O)CCCCCCC(C)C 1458a_100000040743_200000210301 [1,1,0,0,0,0|0,0,2]=4 3103 B11R0.30 CC(=O)COCCCCC(C)C 34a_100000211253_100011216152 [1,1,0,0,0,0|1,0,1]=4 3104 B11R0.30 CC(=O)NCCCCCC(C)C 1626a_100011290863_100015343762 [1,1,0,0,0,0|1,0,1]=4 3105 B11R0.30 CC(=O)NCCCCCC(C)C 240690a_100011290863_100015343762 [1,1,0,0,0,0|1,0,1]=4 3106 B11R0.30 CC(=O)NCCCCCC(C)C 527a_100011290863_100103153847 [1,1,0,0,0,0|1,0,1]=4 3107 B11R0.30 CC(C)CCCCCCC(=O)[13CH3] 1458a_100000040743_200025704644 [1,1,0,0,0,0|0,0,2]=4 3108 B11R0.30 CC(C)CCCCNCC(=O)O 269956a_100016091260_100011216152 [1,1,0,0,0,0|1,0,1]=4 3109 B11R0.42 C=C(C)C(=O)CCCCCCC 1458a_100000185857_100000210614 [1,1,0,0,0,0|1,0,1]=4 3110 B11R0.42 C=C(C)C(=O)NCCCCCC 11a_100000210581_100000185857 [1,1,0,0,0,0|2,0,0]=4 3111 B11R0.42 C=C(C)C(=O)NCCCCCC 1626a_100000210581_100000185857 [1,1,0,0,0,0|2,0,0]=4 3112 B11R0.42 CCCCCCCC(C)C(=O)C 1458a_100000070787_200011218727 [1,1,0,0,0,0|0,0,2]=4 3113 B11R0.42 CCCCCCCN(C)C(=O)C 11a_100000228206_100015343762 [1,1,0,0,0,0|1,0,1]=4 3114 B11R0.42 CCCCCCCN(C)C(=O)C 1626a_100000228206_100015343762 [1,1,0,0,0,0|1,0,1]=4 3115 B11R0.42 CCCCCCCN(C)C(=O)C 240690a_100000228206_100015343762 [1,1,0,0,0,0|1,0,1]=4 3116 B11R0.42 CCCCCCCN(C)C(=O)C 527a_100000228206_100103153847 [1,1,0,0,0,0|1,0,1]=4 3117 B11R0.42 CCCCCCNC(=O)C(=O)N 240690a_100000210581_100011215815 [1,1,0,0,0,0|2,0,0]=4 3118 B11R0.42 CCCCCCNC(C)C(=O)C 2230a_100000210581_100009814033 [1,1,0,0,0,0|1,0,1]=4 3119 B11R0.42 CCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210757 [1,1,0,0,0,0|1,0,1]=4 3120 B11R0.42 CCCCCCOC(C)C(=O)C 34a_100000212229_100000210314 [1,1,0,0,0,0|1,0,1]=4 3121 B11R0.42 CCCCCCOC(C)C(=O)C 7a_100000210259_100000179758 [1,1,0,0,0,0|1,0,1]=4 3122 B11R0.42 CCCCCCSC(C)C(=O)C 62a_100000210314_100009814033 [1,1,0,0,0,0|1,0,1]=4 3123 B11R0.42 CCCCCCSC(C)C(=O)C 62a_100009814033_100000210757 [1,1,0,0,0,0|1,0,1]=4 3124 B11R0.42 CCCCCOCC(=O)C(=O)C 34a_100000210253_100011261029 [1,1,0,0,0,0|1,0,1]=4 3125 B11R0.42 CCCCCSCC(=O)C(=O)C 62a_100000210326_100011261029 [1,1,0,0,0,0|1,0,1]=4 3126 B11R0.42 CCCCCSCC(=O)C(=O)C 62a_100011261029_100000210326 [1,1,0,0,0,0|1,0,1]=4 3127 B11R0.46 CCCCCC(C)CCC(=O)C 1458a_100000034243_200000210301 [1,1,0,0,0,0|0,0,2]=4 3128 B11R0.46 CCCCCC(C)CCC(=O)[13CH3] 1458a_100000034243_200025704644 [1,1,0,0,0,0|0,0,2]=4 3129 B11R0.46 CCCCCC(C)NCC(=O)O 269956a_100016091260_200011218191 [1,1,0,0,0,0|1,0,1]=4 3130 B11R0.46 CCCCCC(C)OCC(=O)C 34a_100000211253_200011218191 [1,1,0,0,0,0|1,0,1]=4 3131 B11R0.148 CC(=O)CCCCCCCCO 1458a_100000070787_100000033203 [1,1,0,0,0,0|0,0,2]=4 3132 B11R0.148 CC(=O)COCCCCCCF 34a_100000211253_100015922095 [1,1,0,0,0,0|1,0,1]=4 3133 B11R0.148 CC(=O)COCCCCCCO 34a_100000211253_100000766143 [1,1,0,0,0,0|1,0,1]=4 3134 B11R0.148 CC(=O)NCCCCCCCO 240690a_100011996573_100015343762 [1,1,0,0,0,0|1,0,1]=4 3135 B11R0.148 CC(=O)NCCCCCCN[13CH3] 2230a_200011996284_200025704644 [1,1,0,0,0,0|1,0,1]=4 3136 B11R0.148 CC(=O)NCCCCCCN[13CH3] 34a_200011996284_200025704644 [1,1,0,0,0,0|1,0,1]=4 3137 B11R0.148 CCCCC/C=C/CCC(=O)C 1458a_200015255902_200000210301 [1,1,0,0,0,0|0,0,2]=4 3138 B11R0.148 CCCCC/C=C/CCC(=O)[13CH3] 1458a_200015255902_200025704644 [1,1,0,0,0,0|0,0,2]=4 3139 B11R0.148 CCCCCC/C=C/CC(=O)C 1458a_100020681715_200000210301 [1,1,0,0,0,0|0,0,0]=2 3140 B11R0.148 CCCCCC/C=C/CC(=O)[13CH3] 1458a_100020681715_200025704644 [1,1,0,0,0,0|0,0,0]=2 3141 B11R0.148 CCCCCCC=NNC(=O)C 4a_100000189765_100000234349 [1,1,0,0,0,0|1,0,0]=3 3142 B11R0.148 CCCCCCCC=CC(=O)C 1458a_200015332781_200000210301 [1,1,0,0,0,0|0,0,0]=2 3143 B11R0.148 CCCCCCCC=CC(=O)[13CH3] 1458a_200015332781_200025704644 [1,1,0,0,0,0|0,0,0]=2 3144 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000070787_100000210670 [1,1,0,0,0,0|0,0,2]=4 3145 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000210558_200000210301 [1,1,0,0,0,0|0,0,2]=4 3146 B11R0.148 CCCCCCCCCC(=O)[13CH3] 1458a_100000210558_200025704644 [1,1,0,0,0,0|0,0,2]=4 3147 B11R0.148 CCCCCCCCNC(=O)C 11a_100000229939_100015343762 [1,1,0,0,0,0|0,0,2]=4 3148 B11R0.148 CCCCCCCCNC(=O)C 1626a_100000229939_100015343762 [1,1,0,0,0,0|0,0,2]=4 3149 B11R0.148 CCCCCCCCNC(=O)C 240690a_100000229939_100015343762 [1,1,0,0,0,0|0,0,2]=4 3150 B11R0.148 CCCCCCCCNC(=O)C 527a_100000229939_100103153847 [1,1,0,0,0,0|0,0,2]=4 3151 B11R0.148 CCCCCCCNCC(=O)O 269956a_100016091260_100000210614 [1,1,0,0,0,0|0,0,2]=4 3152 B11R0.148 CCCCCCCOCC(=O)C 34a_100000211253_100000210614 [1,1,0,0,0,0|0,0,2]=4 3153 B11R0.148 CCCCCCNCC=C(C)C 2230a_100000210581_100000761012 [1,1,0,0,0,0|1,0,1]=4 3154 B11R0.148 CCCCCCNCC=C(C)C 34a_100000718196_100000210314 [1,1,0,0,0,0|1,0,1]=4 3155 B11R0.148 CCCCCCNOCC(=O)O 269956a_100000106656_100000210757 [1,1,0,0,0,0|1,0,1]=4 3156 B11R0.148 CCCCCCOCC=C(C)C 34a_100000210259_100000761012 [1,1,0,0,0,0|1,0,1]=4 3157 B11R0.148 CCCCCCOCC=C(C)C 34a_100000753907_100000210314 [1,1,0,0,0,0|1,0,1]=4 3158 B11R0.148 CCCCCCOCC=C(C)C 7a_100000210259_100000761012 [1,1,0,0,0,0|1,0,1]=4 3159 B11R0.148 CCCCCCOCCC(=O)C 34a_100000759926_100000210314 [1,1,0,0,0,0|0,0,2]=4 3160 B11R0.148 CCCCCCOCCC(=O)C 7a_100000210259_100000053229 [1,1,0,0,0,0|0,0,2]=4 3161 B11R0.148 CCCCCCOCCC(=O)C 7a_100000759926_100000210314 [1,1,0,0,0,0|0,0,2]=4 3162 B11R0.148 CCCCCCOCOC(=O)C 34a_100000210259_100009813279 [1,1,0,0,0,0|1,0,1]=4 3163 B11R0.148 CCCCCCSCC=C(C)C 62a_100000210314_100000761012 [1,1,0,0,0,0|1,0,1]=4 3164 B11R0.148 CCCCCCSCC=C(C)C 62a_100000761012_100000210757 [1,1,0,0,0,0|1,0,1]=4 3165 B11R0.148 CCCCCCSCCC(=O)C 62a_100000053229_100000210757 [1,1,0,0,0,0|0,0,2]=4 3166 B11R0.148 CCCCCCSCCC(=O)C 62a_100000210314_100000053229 [1,1,0,0,0,0|0,0,2]=4 3167 B11R0.148 CCCCCCSCOC(=O)C 62a_100000076356_100000210757 [1,1,0,0,0,0|1,0,1]=4 3168 B11R0.148 CCCCCCSCOC(=O)C 62a_100000210314_100000076356 [1,1,0,0,0,0|1,0,1]=4 3169 B11R0.148 CCCCCNC/C=C/B(O)O 2230a_100000209983_100016262062 [1,1,0,0,0,0|1,0,1]=4 3170 B11R0.148 CCCCCNCCC=C(C)C 2230a_100000209983_100011217483 [1,1,0,0,0,0|1,0,1]=4 3171 B11R0.148 CCCCCNCCNC(=O)C 2230a_100000209853_100000210326 [1,1,0,0,0,0|1,0,1]=4 3172 B11R0.148 CCCCCNCCNC(=O)C 2230a_100000209983_100000189650 [1,1,0,0,0,0|1,0,1]=4 3173 B11R0.148 CCCCCNN=CC=C(C)C 4a_100000694160_100011215525 [1,1,0,0,0,0|2,0,0]=4 3174 B11R0.148 CCCCCOC/C=C/B(O)O 34a_100000210253_100016262062 [1,1,0,0,0,0|1,0,1]=4 3175 B11R0.148 CCCCCOC/C=C/B(O)O 7a_100000210253_100016262062 [1,1,0,0,0,0|1,0,1]=4 3176 B11R0.148 CCCCCOCCC=C(C)C 34a_100000210253_100011217483 [1,1,0,0,0,0|1,0,1]=4 3177 B11R0.148 CCCCCOCCC=C(C)C 7a_100000210253_100011217483 [1,1,0,0,0,0|1,0,1]=4 3178 B11R0.148 CCCCCOCCCC(=O)C 34a_100000210253_100000685027 [1,1,0,0,0,0|0,0,2]=4 3179 B11R0.148 CCCCCOCCCC(=O)C 34a_100000759063_100000718602 [1,1,0,0,0,0|0,0,2]=4 3180 B11R0.148 CCCCCOCCCC(=O)C 7a_100000210253_100011215641 [1,1,0,0,0,0|0,0,2]=4 3181 B11R0.148 CCCCCOCCCC(=O)C 7a_100000759063_100000210326 [1,1,0,0,0,0|0,0,2]=4 3182 B11R0.148 CCCCCOCCNC(=O)C 34a_100000158858_100000718602 [1,1,0,0,0,0|1,0,1]=4 3183 B11R0.148 CCCCCOCCNC(=O)C 7a_100000210253_100000189650 [1,1,0,0,0,0|1,0,1]=4 3184 B11R0.148 CCCCCOCCOC(=O)C 34a_100000210253_100009814007 [1,1,0,0,0,0|1,0,1]=4 3185 B11R0.148 CCCCCOCCOC(=O)C 7a_100000210253_100009814007 [1,1,0,0,0,0|1,0,1]=4 3186 B11R0.148 CCCCCSC/C=C/B(O)O 62a_100000210326_100016262062 [1,1,0,0,0,0|1,0,1]=4 3187 B11R0.148 CCCCCSC/C=C/B(O)O 62a_100016262062_100000210326 [1,1,0,0,0,0|1,0,1]=4 3188 B11R0.148 CCCCCSCCC=C(C)C 62a_100000210326_100011217483 [1,1,0,0,0,0|1,0,1]=4 3189 B11R0.148 CCCCCSCCC=C(C)C 62a_100011217483_100000210326 [1,1,0,0,0,0|1,0,1]=4 3190 B11R0.148 CCCCCSCCCC(=O)C 62a_100000210326_100011215641 [1,1,0,0,0,0|0,0,2]=4 3191 B11R0.148 CCCCCSCCCC(=O)C 62a_100011215641_100000210326 [1,1,0,0,0,0|0,0,2]=4 3192 B11R0.148 CCCCCSCCNC(=O)C 62a_100000189650_100000210326 [1,1,0,0,0,0|1,0,1]=4 3193 B11R0.148 CCCCCSCCNC(=O)C 62a_100000210326_100000189650 [1,1,0,0,0,0|1,0,1]=4 3194 B11R0.148 CCCCCSCCOC(=O)C 62a_100000210326_100009814007 [1,1,0,0,0,0|1,0,1]=4 3195 B11R0.148 CCCCCSCCOC(=O)C 62a_100009814007_100000210326 [1,1,0,0,0,0|1,0,1]=4 3196 B11R0.148 CCCCNCCCCC(=O)C 7a_106832991798_100000735457 [1,1,0,0,0,0|0,0,2]=4 3197 B11R0.148 CCCCNCCCNC(=O)C 34a_100000736810_100000210210 [1,1,0,0,0,0|1,0,1]=4 3198 B11R0.148 CCCCNCCCOC(=O)C 7a_106832991798_100000042594 [1,1,0,0,0,0|1,0,1]=4 3199 B11R0.148 CCCCNCCCSC(=O)C 2230a_100000102301_100000038929 [1,1,0,0,0,0|1,0,1]=4 3200 B11R0.148 CCCCNCCCSC(=O)C 7a_106832991798_100000038929 [1,1,0,0,0,0|1,0,1]=4 3201 B11R0.148 CCCCNCCOCC(=O)O 269956a_100000700818_100000210211 [1,1,0,0,0,0|1,0,1]=4 3202 B11R0.148 CCCCOCCCCC(=O)C 34a_100000210227_100009817362 [1,1,0,0,0,0|0,0,2]=4 3203 B11R0.148 CCCCOCCCCC(=O)C 7a_100000210227_100000735457 [1,1,0,0,0,0|0,0,2]=4 3204 B11R0.148 CCCCOCCCNC(=O)C 1626a_200000211371_100015343762 [1,1,0,0,0,0|1,0,1]=4 3205 B11R0.148 CCCCOCCCNC(=O)C 240690a_200000211371_100015343762 [1,1,0,0,0,0|1,0,1]=4 3206 B11R0.148 CCCCOCCCNC(=O)C 34a_100000752032_100000210210 [1,1,0,0,0,0|1,0,1]=4 3207 B11R0.148 CCCCOCCCNC(=O)C 527a_200000211371_100103153847 [1,1,0,0,0,0|1,0,1]=4 3208 B11R0.148 CCCCOCCCOC(=O)C 34a_100000210227_100000042594 [1,1,0,0,0,0|1,0,1]=4 3209 B11R0.148 CCCCOCCCOC(=O)C 7a_100000210227_100000042594 [1,1,0,0,0,0|1,0,1]=4 3210 B11R0.148 CCCCOCCCSC(=O)C 34a_100000210227_100000038929 [1,1,0,0,0,0|1,0,1]=4 3211 B11R0.148 CCCCOCCCSC(=O)C 7a_100000210227_100000038929 [1,1,0,0,0,0|1,0,1]=4 3212 B11R0.148 CCCCOCCNCC(=O)O 269956a_100016091260_100000743108 [1,1,0,0,0,0|1,0,1]=4 3213 B11R0.148 CCCCOCCOCC(=O)C 1458a_100011216887_200000210301 [1,1,0,0,0,0|1,0,1]=4 3214 B11R0.148 CCCCOCCOCC(=O)C 34a_100000211253_100000743108 [1,1,0,0,0,0|1,0,1]=4 3215 B11R0.148 CCCCOCCOCC(=O)[13CH3] 1458a_100011216887_200025704644 [1,1,0,0,0,0|1,0,1]=4 3216 B11R0.148 CCCCSCCCCC(=O)C 62a_100000210211_100000735457 [1,1,0,0,0,0|0,0,2]=4 3217 B11R0.148 CCCCSCCCCC(=O)C 62a_100000735457_100000210210 [1,1,0,0,0,0|0,0,2]=4 3218 B11R0.148 CCCCSCCCOC(=O)C 62a_100000042594_100000210210 [1,1,0,0,0,0|1,0,1]=4 3219 B11R0.148 CCCCSCCCOC(=O)C 62a_100000210211_100000042594 [1,1,0,0,0,0|1,0,1]=4 3220 B11R0.148 CCCCSCCCSC(=O)C 62a_100000038929_100000210210 [1,1,0,0,0,0|1,0,1]=4 3221 B11R0.148 CCCCSCCCSC(=O)C 62a_100000210211_100000038929 [1,1,0,0,0,0|1,0,1]=4 3222 B11R0.148 CCCNCCCCNC(=O)C 2230a_200011368371_100000210303 [1,1,0,0,0,0|1,0,1]=4 3223 B11R0.148 CCCNCCCCNC(=O)C 34a_200011368371_100000210303 [1,1,0,0,0,0|1,0,1]=4 3224 B11R0.148 CCCOCCC/C=C/B(O)O 34a_100000210258_200016261450 [1,1,0,0,0,0|1,0,1]=4 3225 B11R0.148 CCCOCCCCOC(=O)C 34a_100000073216_100000210303 [1,1,0,0,0,0|1,0,1]=4 3226 B11R0.148 CCCOCCCCOC(=O)C 34a_100000210258_100000033659 [1,1,0,0,0,0|1,0,1]=4 3227 B11R0.148 CCCOCCCCOC(=O)C 7a_100000073216_100000210303 [1,1,0,0,0,0|1,0,1]=4 3228 B11R0.148 CCCOCCCCSC(=O)C 34a_100000210258_200010402107 [1,1,0,0,0,0|1,0,1]=4 3229 B11R0.148 CCCSCCC/C=C/B(O)O 62a_100000210303_200016261450 [1,1,0,0,0,0|1,0,1]=4 3230 B11R0.148 CCCSCCC/C=C/B(O)O 62a_200016261450_100000210303 [1,1,0,0,0,0|1,0,1]=4 3231 B11R0.148 CCCSCCCCOC(=O)C 62a_100000033659_100000210303 [1,1,0,0,0,0|1,0,1]=4 3232 B11R0.148 CCCSCCCCOC(=O)C 62a_100000210303_100000033659 [1,1,0,0,0,0|1,0,1]=4 3233 B11R0.148 CCCSCCCCSC(=O)C 62a_100000210303_200010402107 [1,1,0,0,0,0|1,0,1]=4 3234 B11R0.148 CCCSCCCCSC(=O)C 62a_200010402107_100000210303 [1,1,0,0,0,0|1,0,1]=4 3235 B11R0.148 CCNCCCCCNC(=O)C 2230a_200012022750_100000210202 [1,1,0,0,0,0|1,0,1]=4 3236 B11R0.148 CCNCCCCCNC(=O)C 34a_200012022750_100000210202 [1,1,0,0,0,0|1,0,1]=4 3237 B11R0.148 CCNCCCCCOC(=O)C 2230a_100015525214_100009813381 [1,1,0,0,0,0|1,0,1]=4 3238 B11R0.148 CCOCCCCCOC(=O)C 34a_100121572206_100000033007 [1,1,0,0,0,0|1,0,1]=4 3239 B11R0.148 CCSCCCCCOC(=O)C 62a_100000033007_100000210202 [1,1,0,0,0,0|1,0,1]=4 3240 B11R0.148 CCSCCCCCOC(=O)C 62a_100000210202_100000033007 [1,1,0,0,0,0|1,0,1]=4 3241 B11R0.148 CNCCCCCCNC(=O)C 2230a_200011996284_200000210301 [1,1,0,0,0,0|1,0,1]=4 3242 B11R0.148 CNCCCCCCNC(=O)C 34a_200011996284_200000210301 [1,1,0,0,0,0|1,0,1]=4 3243 B11R0.148 O=C(O)CNCCCCCCF 269956a_100016091260_100015922095 [1,1,0,0,0,0|1,0,1]=4 3244 B11R0.148 O=C(O)CNCCCCCCO 269956a_100016091260_100000766143 [1,1,0,0,0,0|1,0,1]=4 3245 B11R0.3 C/C=C/C=C/COCCCCC 34a_100016283227_100000718602 [1,1,0,0,0,0|1,0,0]=3 3246 B11R0.3 C/C=C/C=C/COCCCCF 34a_100016283227_100000729493 [1,1,0,0,0,0|2,0,0]=4 3247 B11R0.3 C/C=C/C=C/COCCCCO 34a_100016283227_100011216708 [1,1,0,0,0,0|2,0,0]=4 3248 B11R0.3 C/C=C/C=C/COCCCOC 34a_100016283227_100000740836 [1,1,0,0,0,0|2,0,0]=4 3249 B11R0.3 C/C=C/C=C/COCCOCC 34a_100016283227_100000210147 [1,1,0,0,0,0|2,0,0]=4 3250 B11R0.3 C/C=C/C=C/COCCSCC 34a_100016283227_100000757381 [1,1,0,0,0,0|2,0,0]=4 3251 B11R0.3 CC/C=C/CCCOCCCC 34a_100016287902_100000210210 [1,1,0,0,0,0|1,0,1]=4 3252 B11R0.3 CC/C=C/CCCOCCCC 7a_100016287902_100000210211 [1,1,0,0,0,0|1,0,1]=4 3253 B11R0.3 CC/C=C\CCCCCNCC 269862a_100015525214_100016288537 [1,1,0,0,0,0|1,0,1]=4 3254 B11R0.3 CC/C=C\CCCCCOCC 34a_100016268722_100000210202 [1,1,0,0,0,0|1,0,1]=4 3255 B11R0.3 CC/C=C\CCCCCOCC 7a_100016268722_100000210202 [1,1,0,0,0,0|1,0,1]=4 3256 B11R0.3 CC/C=C\CCCCOCCC 34a_100016287862_100000210303 [1,1,0,0,0,0|1,0,1]=4 3257 B11R0.3 CC/C=C\CCCCOCCC 7a_100016287862_100000210303 [1,1,0,0,0,0|1,0,1]=4 3258 B11R0.3 CC/C=C\CCNCCCCC 2230a_100000209983_100015370543 [1,1,0,0,0,0|1,0,1]=4 3259 B11R0.3 CC/C=C\CCOCCCCC 34a_100000210253_100015370543 [1,1,0,0,0,0|1,0,1]=4 3260 B11R0.3 CC/C=C\CCOCCCCC 34a_100016288707_100000718602 [1,1,0,0,0,0|1,0,1]=4 3261 B11R0.3 CC/C=C\CCOCCCCC 7a_100000210253_100015370543 [1,1,0,0,0,0|1,0,1]=4 3262 B11R0.3 CC/C=C\CCOCCCCC 7a_100016288707_100000210326 [1,1,0,0,0,0|1,0,1]=4 3263 B11R0.3 CC/C=C\CCSCCCCC 62a_100000210326_100015370543 [1,1,0,0,0,0|1,0,1]=4 3264 B11R0.3 CC/C=C\CCSCCCCC 62a_100015370543_100000210326 [1,1,0,0,0,0|1,0,1]=4 3265 B11R0.3 CC/C=C\CNCCCCCC 2230a_100000210581_100103147603 [1,1,0,0,0,0|1,0,1]=4 3266 B11R0.3 CC/C=C\COCCCCCC 34a_100000210259_100103147603 [1,1,0,0,0,0|1,0,1]=4 3267 B11R0.3 CC/C=C\COCCCCCC 34a_100016268518_100000210314 [1,1,0,0,0,0|1,0,1]=4 3268 B11R0.3 CC/C=C\COCCCCCC 7a_100000210259_100103147603 [1,1,0,0,0,0|1,0,1]=4 3269 B11R0.3 CC/C=C\CSCCCCCC 62a_100000210314_100103147603 [1,1,0,0,0,0|1,0,1]=4 3270 B11R0.3 CC/C=C\CSCCCCCC 62a_100103147603_100000210757 [1,1,0,0,0,0|1,0,1]=4 3271 B11R0.3 CCC/C=C/COCCCCC 34a_100016278788_100000718602 [1,1,0,0,0,0|1,0,1]=4 3272 B11R0.3 CCC/C=C/COCCCCC 7a_100016278788_100000210326 [1,1,0,0,0,0|1,0,1]=4 3273 B11R0.3 CCC=CC=NNCCCCC 4a_100000694160_100011216943 [1,1,0,0,0,0|2,0,0]=4 3274 B11R0.3 CCCCC/C=C/C=C/COC 34a_200014065772_200000210301 [1,1,0,0,0,0|0,0,1]=3 3275 B11R0.3 CCCCC/C=C/C=C/COC 7a_200014065772_200000210301 [1,1,0,0,0,0|0,0,1]=3 3276 B11R0.3 CCCCC/C=C/C=C/CO[13CH3] 34a_200014065772_200025704644 [1,1,0,0,0,0|0,0,1]=3 3277 B11R0.3 CCCCC/C=C/C=C/CO[13CH3] 7a_200014065772_200025704644 [1,1,0,0,0,0|0,0,1]=3 3278 B11R0.3 CCCCCC/C=C/COCC 34a_200016276170_100000210202 [1,1,0,0,0,0|0,0,1]=3 3279 B11R0.3 CCCCCC/C=C/COCC 7a_200016276170_100000210202 [1,1,0,0,0,0|0,0,1]=3 3280 B11R0.3 CCCCCC/C=C/COCF 34a_200016276170_100015361967 [1,1,0,0,0,0|0,0,1]=3 3281 B11R0.3 CCCCCC/C=C/COCF 7a_200016276170_100015361967 [1,1,0,0,0,0|0,0,1]=3 3282 B11R0.4 C/C=C/C=C/COC(C)CCC 34a_100016283227_100000766640 [1,1,0,0,0,0|2,0,0]=4 3283 B11R0.4 CC=CC(=O)CCCCCCC 1458a_100000210699_100000210614 [1,1,0,0,0,0|1,0,1]=4 3284 B11R0.4 CC=CC(=O)NCCCCCC 11a_100000210581_100000210699 [1,1,0,0,0,0|2,0,0]=4 3285 B11R0.4 CC=CC(=O)NCCCCCC 1626a_100000210581_100000210699 [1,1,0,0,0,0|2,0,0]=4 3286 B11R0.4 CC=CC(=O)NCCCCCC 240690a_100000210581_100000210699 [1,1,0,0,0,0|2,0,0]=4 3287 B11R0.4 CCCCCCCC(=O)COC 1458a_100000210968_100000210614 [1,1,0,0,0,0|0,0,2]=4 3288 B11R0.4 CCCCCCNC(=O)COC 11a_100000210581_100000210968 [1,1,0,0,0,0|1,0,1]=4 3289 B11R0.4 CCCCCCNC(=O)COC 1626a_100000210581_100000210968 [1,1,0,0,0,0|1,0,1]=4 3290 B11R0.4 CCCCCCNC(=O)COC 240690a_100000210581_100000210968 [1,1,0,0,0,0|1,0,1]=4 3291 B11R0.4 CCCCCCNC(=O)COC 34a_100138415774_100000230325 [1,1,0,0,0,0|1,0,1]=4 3292 B11R0.4 CCCCCCNC(=O)COC 527a_100000210581_100000210968 [1,1,0,0,0,0|1,0,1]=4 3293 B11R0.81 C#CCCCCC(=O)C=COC 1458a_100016268678_100010269958 [1,1,0,0,0,0|0,0,2]=4 3294 B11R0.81 C/C=C/CC(=O)CCCCCC 1458a_100102632555_100102629194 [1,1,0,0,0,0|1,0,1]=4 3295 B11R0.81 C=CC=CC(=O)CCCCCC 1458a_100016291481_100000210757 [1,1,0,0,0,0|1,0,1]=4 3296 B11R0.81 C=CCCCCC(=O)C=COC 1458a_100016268678_100011215482 [1,1,0,0,0,0|0,0,2]=4 3297 B11R0.81 CC/C=C\CCC(=O)C=COC 1458a_100016268678_100015370543 [1,1,0,0,0,0|0,0,2]=4 3298 B11R0.81 CC=CCC(=O)CCCCCC 1458a_100102632555_100000070051 [1,1,0,0,0,0|1,0,1]=4 3299 B11R0.81 CC=CCC(=O)CCCCCC 1458a_100121576822_100000210757 [1,1,0,0,0,0|1,0,1]=4 3300 B11R0.81 CCC=CC(=O)CCCCCC 1458a_100000212282_100000210757 [1,1,0,0,0,0|1,0,0]=3 3301 B11R0.81 CCC=CC(=O)CCCCCF 1458a_100000212282_100000729378 [1,1,0,0,0,0|2,0,0]=4 3302 B11R0.81 CCC=CC(=O)CCCCCO 1458a_100000212282_100000746330 [1,1,0,0,0,0|2,0,0]=4 3303 B11R0.81 CCC=CC(=O)CCCCOC 1458a_100000212282_100000755781 [1,1,0,0,0,0|2,0,0]=4 3304 B11R0.81 CCC=CC(=O)CCCOCC 1458a_100000212282_100012232248 [1,1,0,0,0,0|2,0,0]=4 3305 B11R0.81 CCC=CC(=O)CCOCCC 1458a_100000212282_100011215938 [1,1,0,0,0,0|2,0,0]=4 3306 B11R0.81 CCC=CC(=O)COCCCC 1458a_100000212282_100011995733 [1,1,0,0,0,0|2,0,0]=4 3307 B11R0.81 CCC=CC(=O)NCCCCC 11a_100000209983_100000212282 [1,1,0,0,0,0|2,0,0]=4 3308 B11R0.81 CCC=CC(=O)NCCCCC 1626a_100000209983_100000212282 [1,1,0,0,0,0|2,0,0]=4 3309 B11R0.81 CCC=CC(=O)NCCCCC 240690a_100000209983_100000212282 [1,1,0,0,0,0|2,0,0]=4 3310 B11R0.81 CCCCCCC(=O)C=COC 1458a_100016268678_100000210757 [1,1,0,0,0,0|0,0,0]=2 3311 B11R0.81 CCCCCCC(=O)CCOC 1458a_100000749529_100000210757 [1,1,0,0,0,0|0,0,2]=4 3312 B11R0.81 CCCCCCC(=O)CCOC 1458a_100102632555_100000233755 [1,1,0,0,0,0|0,0,2]=4 3313 B11R0.81 CCCCCNC(=O)C=COC 1626a_100000209983_100016268678 [1,1,0,0,0,0|1,0,0]=3 3314 B11R0.81 CCCCCNC(=O)C=COC 240690a_100000209983_100016268678 [1,1,0,0,0,0|1,0,0]=3 3315 B11R0.81 CCCCNN=C(C)C=COC 4a_100025702795_100102564965 [1,1,0,0,0,0|2,0,0]=4 3316 B11R0.81 CCCCNNC(=O)C=COC 22a_100025702795_100016268678 [1,1,0,0,0,0|2,0,0]=4 3317 B11R0.81 CCCCOCC(=O)C=COC 1458a_100016268678_100011995733 [1,1,0,0,0,0|1,0,0]=3 3318 B11R0.81 CCCOCCC(=O)C=COC 1458a_100016268678_100011215938 [1,1,0,0,0,0|1,0,0]=3 3319 B11R0.81 CCOCCCC(=O)C=COC 1458a_100016268678_100012232248 [1,1,0,0,0,0|1,0,0]=3 3320 B11R0.81 CCOCCNC(=O)C=COC 1626a_102516460346_100016268678 [1,1,0,0,0,0|2,0,0]=4 3321 B11R0.81 CCOCCNC(=O)C=COC 240690a_100011200944_100016268678 [1,1,0,0,0,0|2,0,0]=4 3322 B11R0.81 CCSCCNC(=O)C=COC 1626a_100000106463_100016268678 [1,1,0,0,0,0|2,0,0]=4 3323 B11R0.81 CCSCCNC(=O)C=COC 240690a_100000106463_100016268678 [1,1,0,0,0,0|2,0,0]=4 3324 B11R0.81 COC=CC(=O)CCCCC#N 1458a_100016268678_100000211819 [1,1,0,0,0,0|1,0,1]=4 3325 B11R0.81 COC=CC(=O)CCCCCF 1458a_100016268678_100000729378 [1,1,0,0,0,0|1,0,0]=3 3326 B11R0.81 COC=CC(=O)CCCCCO 1458a_100016268678_100000746330 [1,1,0,0,0,0|1,0,0]=3 3327 B11R0.81 COC=CC(=O)CCCCOC 1458a_100016268678_100000755781 [1,1,0,0,0,0|1,0,0]=3 3328 B11R0.81 COC=CC(=O)CCOCCO 1458a_100016268678_100011215305 [1,1,0,0,0,0|2,0,0]=4 3329 B11R0.81 COC=CC(=O)NCCCCO 240690a_100000750430_100016268678 [1,1,0,0,0,0|2,0,0]=4 3330 B11R0.81 COC=CC(=O)NCCCOC 1626a_100150723488_100016268678 [1,1,0,0,0,0|2,0,0]=4 3331 B11R0.81 COC=CC(=O)NCCCOC 240690a_100150723488_100016268678 [1,1,0,0,0,0|2,0,0]=4 3332 B11R0.81 COC=CC(=O)NCCCSC 1626a_100000749238_100016268678 [1,1,0,0,0,0|2,0,0]=4 3333 B11R0.81 COC=CC(=O)NCCCSC 240690a_100000749238_100016268678 [1,1,0,0,0,0|2,0,0]=4 3334 B11R0.140 C/C=C/C=CC(=O)CCCCC 1458a_100000185730_100000210326 [1,1,0,0,0,0|1,0,1]=4 3335 B11R0.140 CCCCCC(=O)C=CCOC 1458a_100016285016_100000210326 [1,1,0,0,0,0|0,0,2]=4 3336 B11R0.70 CCCCC(=O)C=CC(=O)NC 1458a_100016259477_100000210211 [1,1,0,0,0,0|1,0,1]=4 3337 B11R0.70 CCCCC(=O)CCC(=O)OC 1458a_100000187943_100000210211 [1,1,0,0,0,0|0,0,2]=4 3338 B11R0.70 CCCCC(=O)CNC(=O)OC 1458a_100000215747_100000210211 [1,1,0,0,0,0|1,0,1]=4 3339 B11R0.70 CCCCC(C)CCC(=O)CC 1458a_100000033779_100000210202 [1,1,0,0,0,0|1,0,1]=4 3340 B11R0.70 CCCCC(C)CCC(=O)NC 11a_106832991635_100000033779 [1,1,0,0,0,0|1,0,1]=4 3341 B11R0.70 CCCCC(C)CCC(=O)NC 1626a_100102657272_100000033779 [1,1,0,0,0,0|1,0,1]=4 3342 B11R0.70 CCCCC(C)CCC(=O)NC 240690a_100102657272_100000033779 [1,1,0,0,0,0|1,0,1]=4 3343 B11R0.70 CCCCC(C)CCC(=O)NC 527a_100102657272_100000033779 [1,1,0,0,0,0|1,0,1]=4 3344 B11R0.70 CCCCC(C)NCC(=O)OC 2230a_100000126638_100000747449 [1,1,0,0,0,0|1,0,1]=4 3345 B11R0.70 CCCCC(C)OCC(=O)OC 34a_100000687866_100000747449 [1,1,0,0,0,0|1,0,1]=4 3346 B11R0.70 CCCCC(C)OCC(=O)OC 7a_100000687866_100000747449 [1,1,0,0,0,0|1,0,1]=4 3347 B11R0.70 CCCCC(C)SCC(=O)OC 62a_100000747449_200011215066 [1,1,0,0,0,0|1,0,1]=4 3348 B11R0.70 CCCCC(C)SCC(=O)OC 62a_200011215066_100000747449 [1,1,0,0,0,0|1,0,1]=4 3349 B11R0.70 CCCCN(C)CCC(=O)OC 2230a_100000207549_100000204255 [1,1,0,0,0,0|1,0,1]=4 3350 B11R0.70 CCCCN(C)CCC(=O)OC 269982a_100000207549_100000204255 [1,1,0,0,0,0|1,0,1]=4 3351 B11R0.70 CCCCN(C)CCC(=O)OC 269982a_100025711912_100000210211 [1,1,0,0,0,0|1,0,1]=4 3352 B11R0.70 CCCNC(=O)C=CC(=O)OC 1626a_100020643023_100016283253 [1,1,0,0,0,0|1,0,1]=4 3353 B11R0.106 CCC(=O)CCCCC(=O)OC 1458a_100000210414_100000204269 [1,1,0,0,0,0|0,0,2]=4 3354 B11R0.106 CCC(=O)CCCCC(=O)OC 1458a_100000695723_100000210202 [1,1,0,0,0,0|0,0,2]=4 3355 B11R0.106 CCC(=O)CCCNC(=O)OC 1458a_100000753017_100000210202 [1,1,0,0,0,0|1,0,1]=4 3356 B11R0.106 CCC(C)CCNCC(=O)OC 2230a_100020591266_100000747449 [1,1,0,0,0,0|1,0,1]=4 3357 B11R0.106 CCC(C)CCOCC(=O)OC 7a_100011215188_100000747449 [1,1,0,0,0,0|1,0,1]=4 3358 B11R0.106 CCC(C)CNCCC(=O)OC 2230a_100020588543_100000204255 [1,1,0,0,0,0|1,0,1]=4 3359 B11R0.106 CCC(C)CSCCC(=O)OC 62a_100000204255_100000748023 [1,1,0,0,0,0|1,0,1]=4 3360 B11R0.106 CCC(C)CSCCC(=O)OC 62a_100000748023_100000204255 [1,1,0,0,0,0|1,0,1]=4 3361 B11R0.106 CCC(C)CSCOC(=O)OC 62a_100000748023_100000139417 [1,1,0,0,0,0|2,0,0]=4 3362 B11R0.106 CCC(C)NC/C=C/C(=O)OC 2230a_100000209981_100000742655 [1,1,0,0,0,0|1,0,0]=3 3363 B11R0.106 CCC(C)NCCCC(=O)OC 2230a_100000209981_100011218270 [1,1,0,0,0,0|1,0,1]=4 3364 B11R0.106 CCC(C)OC/C=C/C(=O)OC 7a_100000210228_100000742655 [1,1,0,0,0,0|1,0,0]=3 3365 B11R0.106 CCC(C)OCCCC(=O)OC 7a_100000210228_100011218270 [1,1,0,0,0,0|1,0,1]=4 3366 B11R0.106 CCC(C)OCCNC(=O)OC 34a_100000757965_100011215416 [1,1,0,0,0,0|2,0,0]=4 3367 B11R0.106 CCC(C)OCCOC(=O)OC 34a_100010262106_100011215416 [1,1,0,0,0,0|2,0,0]=4 3368 B11R0.106 CCC(C)SC/C=C/C(=O)OC 62a_100000742655_100000758301 [1,1,0,0,0,0|1,0,0]=3 3369 B11R0.106 CCC(C)SC/C=C/C(=O)OC 62a_100000758301_100000742655 [1,1,0,0,0,0|1,0,0]=3 3370 B11R0.106 CCC(C)SCCCC(=O)OC 62a_100000758301_100011218270 [1,1,0,0,0,0|1,0,1]=4 3371 B11R0.106 CCC(C)SCCCC(=O)OC 62a_100011218270_100000758301 [1,1,0,0,0,0|1,0,1]=4 3372 B11R0.106 CCC(O)CNCCC(=O)OC 2230a_100011218483_100000204255 [1,1,0,0,0,0|1,0,1]=4 3373 B11R0.106 CCC(O)CNN=CC(=O)OC 4a_100015206393_200011823558 [1,1,0,0,0,0|2,0,0]=4 3374 B11R0.106 CCC(O)CSCCC(=O)OC 62a_100000204255_100011218378 [1,1,0,0,0,0|1,0,1]=4 3375 B11R0.106 CCC(O)CSCCC(=O)OC 62a_100011218378_100000204255 [1,1,0,0,0,0|1,0,1]=4 3376 B11R0.106 CCC(O)CSCOC(=O)OC 62a_100011218378_100000139417 [1,1,0,0,0,0|2,0,0]=4 3377 B11R0.106 CCN(C)CCCCC(=O)OC 2230a_100000225621_100000204269 [1,1,0,0,0,0|1,0,1]=4 3378 B11R0.106 CCN(C)CCCCC(=O)OC 269982a_100000225621_100000204269 [1,1,0,0,0,0|1,0,1]=4 3379 B11R0.106 CC[C@H](C)COCCC(=O)OC 7a_100009816381_100000204255 [1,1,0,0,0,0|1,0,1]=4 3380 B11R0.106 CC[C@H](C)CSCCC(=O)OC 62a_100000204255_100009816398 [1,1,0,0,0,0|1,0,1]=4 3381 B11R0.106 CC[C@H](C)CSCCC(=O)OC 62a_100009816398_100000204255 [1,1,0,0,0,0|1,0,1]=4 3382 B11R0.106 CC[C@H](C)CSCOC(=O)OC 62a_100009816398_100000139417 [1,1,0,0,0,0|2,0,0]=4 3383 B11R0.106 COC(=O)/C=C/CN[C@H](C)CO 2230a_100000737577_100000742655 [1,1,0,0,0,0|2,0,0]=4 3384 B11R0.106 COC(=O)/C=C/COC(C)CF 34a_100016041109_100000742655 [1,1,0,0,0,0|2,0,0]=4 3385 B11R0.106 COC(=O)/C=C/COC(C)CF 7a_100016041109_100000742655 [1,1,0,0,0,0|2,0,0]=4 3386 B11R0.106 COC(=O)/C=C/COC(C)CN 34a_100000210904_100000742655 [1,1,0,0,0,0|2,0,0]=4 3387 B11R0.106 COC(=O)/C=C/CSC(C)CO 62a_100012180447_100000742655 [1,1,0,0,0,0|2,0,0]=4 3388 B11R0.106 COC(=O)/C=C/CSC(C)OC 62a_100000742655_100009879195 [1,1,0,0,0,0|2,0,0]=4 3389 B11R0.106 COC(=O)/C=C/CSC(C)OC 62a_100009879195_100000742655 [1,1,0,0,0,0|2,0,0]=4 3390 B11R0.106 COC(=O)/C=C/CS[C@H](C)CO 62a_100000742655_100016084084 [1,1,0,0,0,0|2,0,0]=4 3391 B11R0.106 COC(=O)/C=C/CS[C@H](C)CO 62a_100016084084_100000742655 [1,1,0,0,0,0|2,0,0]=4 3392 B11R0.142 C/C=C(\C)/C(=O)CCCCCC 1458a_100020587367_100000210757 [1,1,0,0,0,0|2,0,0]=4 3393 B11R0.142 C=C(CNCCCF)C(=O)OC 34a_100015189416_100009813391 [1,1,0,0,0,0|2,0,0]=4 3394 B11R0.142 C=C(COCCCBr)C(=O)OC 34a_100011217188_100009813391 [1,1,0,0,0,0|2,0,0]=4 3395 B11R0.142 C=C(COCCCC)C(=O)OC 34a_100000210227_100009813391 [1,1,0,0,0,0|1,0,0]=3 3396 B11R0.142 C=C(COCCCCl)C(=O)OC 34a_100000230001_100009813391 [1,1,0,0,0,0|2,0,0]=4 3397 B11R0.142 C=C(COCCCF)C(=O)OC 34a_100000759539_100009813391 [1,1,0,0,0,0|2,0,0]=4 3398 B11R0.142 C=C(COCCCN)C(=O)OC 34a_100000182051_100009813391 [1,1,0,0,0,0|2,0,0]=4 3399 B11R0.142 C=C(COCCOC)C(=O)OC 34a_100000210237_100009813391 [1,1,0,0,0,0|2,0,0]=4 3400 B11R0.142 C=C(COCCSC)C(=O)OC 34a_100000230434_100009813391 [1,1,0,0,0,0|2,0,0]=4 3401 B11R0.142 C=C(CSCCCC)C(=O)OC 62a_100000210211_100009813391 [1,1,0,0,0,0|1,0,0]=3 3402 B11R0.142 C=C(CSCCCC)C(=O)OC 62a_100009813391_100000210210 [1,1,0,0,0,0|1,0,0]=3 3403 B11R0.142 C=C(CSCCCF)C(=O)OC 62a_100009813391_100011934791 [1,1,0,0,0,0|2,0,0]=4 3404 B11R0.142 C=C(CSCCCF)C(=O)OC 62a_100011934791_100009813391 [1,1,0,0,0,0|2,0,0]=4 3405 B11R0.142 C=C(CSCCCO)C(=O)OC 62a_100009813391_100011215043 [1,1,0,0,0,0|2,0,0]=4 3406 B11R0.142 C=C(CSCCCO)C(=O)OC 62a_100011215043_100009813391 [1,1,0,0,0,0|2,0,0]=4 3407 B11R0.142 C=C(CSCCOC)C(=O)OC 62a_100000233755_100009813391 [1,1,0,0,0,0|2,0,0]=4 3408 B11R0.142 C=C(CSCCOC)C(=O)OC 62a_100009813391_100000233755 [1,1,0,0,0,0|2,0,0]=4 3409 B11R0.142 C=C(CSCCSC)C(=O)OC 62a_100000212216_100009813391 [1,1,0,0,0,0|2,0,0]=4 3410 B11R0.142 C=C(CSCCSC)C(=O)OC 62a_100009813391_100000751147 [1,1,0,0,0,0|2,0,0]=4 3411 B11R0.142 C=C(CSCOCC)C(=O)OC 62a_100000739092_100009813391 [1,1,0,0,0,0|2,0,0]=4 3412 B11R0.142 C=C(CSCOCC)C(=O)OC 62a_100009813391_100000739092 [1,1,0,0,0,0|2,0,0]=4 3413 B11R0.142 CCCCCCC(=O)C(=O)NC 1458a_100011218921_100000210757 [1,1,0,0,0,0|1,0,0]=3 3414 B11R0.142 CCCCCCC(=O)C(C)OC 1458a_100000743197_100000210757 [1,1,0,0,0,0|1,0,1]=4 3415 B11R0.142 CCCCCCC(C)C(=O)CC 1458a_100000210414_100011215978 [1,1,0,0,0,0|1,0,1]=4 3416 B11R0.142 CCCCCCC(O)C(=O)CC 1458a_100011215828_100000210202 [1,1,0,0,0,0|1,0,1]=4 3417 B11R0.142 CCCCCCC(O)C(=O)NC 240690a_100102657272_100011215828 [1,1,0,0,0,0|1,0,1]=4 3418 B11R0.142 CCCCCCN(C)C(=O)CC 11a_106256046315_100000210414 [1,1,0,0,0,0|2,0,0]=4 3419 B11R0.142 CCCCCCN(C)C(=O)CC 1626a_106256046315_100000210414 [1,1,0,0,0,0|2,0,0]=4 3420 B11R0.142 CCCCCCN(C)C(=O)CC 240690a_106256046315_100000210414 [1,1,0,0,0,0|2,0,0]=4 3421 B11R0.142 CCCCCCN(C)C(=O)CC 527a_106256046315_100000210414 [1,1,0,0,0,0|2,0,0]=4 3422 B11R0.142 CCCCCCN(C)C(=O)NC 2708a_100102657272_106256046315 [1,1,0,0,0,0|2,0,0]=4 3423 B11R0.142 CCCCCCN(C)C(=O)NC 273464a_100102657272_106256046315 [1,1,0,0,0,0|2,0,0]=4 3424 B11R0.142 CCCCCNC(=O)C(=O)NC 1626a_100000209983_100011218921 [1,1,0,0,0,0|2,0,0]=4 3425 B11R0.142 CCCCCNC(=O)C(=O)NC 240690a_100000209983_100011218921 [1,1,0,0,0,0|2,0,0]=4 3426 B11R0.142 CCCCCNC(=O)C(=O)NC 527a_100000209983_100011218921 [1,1,0,0,0,0|2,0,0]=4 3427 B11R0.142 CCCCCNC(=O)C(=O)OC 11a_100000209983_100000024059 [1,1,0,0,0,0|1,0,0]=3 3428 B11R0.142 CCCCCNC(=O)C(=O)OC 1626a_100000209983_100000024059 [1,1,0,0,0,0|1,0,0]=3 3429 B11R0.142 CCCCCNC(=O)C(=O)OC 240690a_100000209983_100000024059 [1,1,0,0,0,0|1,0,0]=3 3430 B11R0.142 CCCCCNC(=O)C(=O)OC 527a_100000209983_100000024059 [1,1,0,0,0,0|1,0,0]=3 3431 B11R0.142 CCCCCNC(C)C(=O)OC 2230a_100000209983_100000211248 [1,1,0,0,0,0|1,0,1]=4 3432 B11R0.142 CCCCCOC(C)C(=O)OC 34a_100000210253_100000211248 [1,1,0,0,0,0|1,0,1]=4 3433 B11R0.142 CCCCCOC(C)C(=O)OC 34a_100011215400_100000718602 [1,1,0,0,0,0|1,0,1]=4 3434 B11R0.142 CCCCCOC(C)C(=O)OC 7a_100000210253_100000211248 [1,1,0,0,0,0|1,0,1]=4 3435 B11R0.142 CCCCCSC(C)C(=O)OC 62a_100000210326_100000211248 [1,1,0,0,0,0|1,0,1]=4 3436 B11R0.142 CCCCCSC(C)C(=O)OC 62a_100000211248_100000210326 [1,1,0,0,0,0|1,0,1]=4 3437 B11R0.142 CCCCNN=C(C)C(=O)OC 4a_100025702795_100000211753 [1,1,0,0,0,0|2,0,0]=4 3438 B11R0.142 CCCCOCC(=O)C(=O)NC 1458a_100011218921_100011995733 [1,1,0,0,0,0|2,0,0]=4 3439 B11R0.142 CCCCOCC(=O)C(=O)OC 34a_100000210227_100011610305 [1,1,0,0,0,0|1,0,0]=3 3440 B11R0.142 CCCCOCC(C)C(=O)OC 34a_100000210227_100000698445 [1,1,0,0,0,0|1,0,1]=4 3441 B11R0.142 CCCCOCC(C)C(=O)OC 34a_100000749362_100000210210 [1,1,0,0,0,0|1,0,1]=4 3442 B11R0.142 CCCCOCC(C)C(=O)OC 7a_100000749362_100000210211 [1,1,0,0,0,0|1,0,1]=4 3443 B11R0.142 CCCCOCC(F)C(=O)OC 34a_200009849844_100000210210 [1,1,0,0,0,0|1,0,1]=4 3444 B11R0.142 CCCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210210 [1,1,0,0,0,0|1,0,1]=4 3445 B11R0.142 CCCCSCC(=O)C(=O)OC 62a_100000210211_100011610305 [1,1,0,0,0,0|1,0,0]=3 3446 B11R0.142 CCCCSCC(=O)C(=O)OC 62a_100011610305_100000210210 [1,1,0,0,0,0|1,0,0]=3 3447 B11R0.142 CCCCSCC(C)C(=O)OC 62a_100000210211_100000698445 [1,1,0,0,0,0|1,0,1]=4 3448 B11R0.142 CCCCSCC(C)C(=O)OC 62a_100000698445_100000210210 [1,1,0,0,0,0|1,0,1]=4 3449 B11R0.142 CCCOCCC(=O)C(=O)NC 1458a_100011218921_100011215938 [1,1,0,0,0,0|2,0,0]=4 3450 B11R0.142 CCCOCCC(C)C(=O)OC 34a_100000210258_100000034942 [1,1,0,0,0,0|1,0,1]=4 3451 B11R0.142 CCCSCCC(C)C(=O)OC 62a_100000034942_100000210303 [1,1,0,0,0,0|1,0,1]=4 3452 B11R0.142 CCCSCCC(C)C(=O)OC 62a_100000210303_100000034942 [1,1,0,0,0,0|1,0,1]=4 3453 B11R0.142 CCOCCCC(=O)C(=O)NC 1458a_100011218921_100012232248 [1,1,0,0,0,0|2,0,0]=4 3454 B11R0.142 CCOCCNC(=O)C(=O)OC 11a_100011200944_100000024059 [1,1,0,0,0,0|2,0,0]=4 3455 B11R0.142 CCOCCNC(=O)C(=O)OC 1626a_102516460346_100000024059 [1,1,0,0,0,0|2,0,0]=4 3456 B11R0.142 CCOCCNC(=O)C(=O)OC 240690a_100011200944_100000024059 [1,1,0,0,0,0|2,0,0]=4 3457 B11R0.142 CCOCCNC(=O)C(=O)OC 527a_100011200944_100000024059 [1,1,0,0,0,0|2,0,0]=4 3458 B11R0.142 CCOCSCC(=O)C(=O)OC 62a_100000739092_100011610305 [1,1,0,0,0,0|2,0,0]=4 3459 B11R0.142 CCOCSCC(=O)C(=O)OC 62a_100011610305_100000739092 [1,1,0,0,0,0|2,0,0]=4 3460 B11R0.142 CCSCCNC(=O)C(=O)OC 11a_100000106463_100000024059 [1,1,0,0,0,0|2,0,0]=4 3461 B11R0.142 CCSCCNC(=O)C(=O)OC 1626a_100000106463_100000024059 [1,1,0,0,0,0|2,0,0]=4 3462 B11R0.142 CCSCCNC(=O)C(=O)OC 240690a_100000106463_100000024059 [1,1,0,0,0,0|2,0,0]=4 3463 B11R0.142 CCSCCNC(=O)C(=O)OC 527a_100000106463_100000024059 [1,1,0,0,0,0|2,0,0]=4 3464 B11R0.142 CNC(=O)C(=O)CCCCCF 1458a_100011218921_100000729378 [1,1,0,0,0,0|2,0,0]=4 3465 B11R0.142 CNC(=O)C(=O)CCCCCO 1458a_100011218921_100000746330 [1,1,0,0,0,0|2,0,0]=4 3466 B11R0.142 CNC(=O)C(=O)CCCCOC 1458a_100011218921_100000755781 [1,1,0,0,0,0|2,0,0]=4 3467 B11R0.142 COC(=O)C(=O)CNCCCF 34a_100015189416_100011610305 [1,1,0,0,0,0|2,0,0]=4 3468 B11R0.142 COC(=O)C(=O)COCCCBr 34a_100011217188_100011610305 [1,1,0,0,0,0|2,0,0]=4 3469 B11R0.142 COC(=O)C(=O)COCCCCl 34a_100000230001_100011610305 [1,1,0,0,0,0|2,0,0]=4 3470 B11R0.142 COC(=O)C(=O)COCCCF 34a_100000759539_100011610305 [1,1,0,0,0,0|2,0,0]=4 3471 B11R0.142 COC(=O)C(=O)COCCCN 34a_100000182051_100011610305 [1,1,0,0,0,0|2,0,0]=4 3472 B11R0.142 COC(=O)C(=O)COCCSC 34a_100000230434_100011610305 [1,1,0,0,0,0|2,0,0]=4 3473 B11R0.142 COC(=O)C(=O)CSCCCF 62a_100011610305_100011934791 [1,1,0,0,0,0|2,0,0]=4 3474 B11R0.142 COC(=O)C(=O)CSCCCF 62a_100011934791_100011610305 [1,1,0,0,0,0|2,0,0]=4 3475 B11R0.142 COC(=O)C(=O)CSCCCO 62a_100011215043_100011610305 [1,1,0,0,0,0|2,0,0]=4 3476 B11R0.142 COC(=O)C(=O)CSCCCO 62a_100011610305_100011215043 [1,1,0,0,0,0|2,0,0]=4 3477 B11R0.142 COC(=O)C(=O)CSCCSC 62a_100000212216_100011610305 [1,1,0,0,0,0|2,0,0]=4 3478 B11R0.142 COC(=O)C(=O)CSCCSC 62a_100011610305_100000751147 [1,1,0,0,0,0|2,0,0]=4 3479 B11R0.142 COC(=O)C(=O)NCCCCO 240690a_100000750430_100000024059 [1,1,0,0,0,0|2,0,0]=4 3480 B11R0.142 COC(=O)C(=O)NCCCCO 527a_100000750430_100000024059 [1,1,0,0,0,0|2,0,0]=4 3481 B11R0.142 COC(=O)C(=O)NCCCSC 11a_100000749238_100000024059 [1,1,0,0,0,0|2,0,0]=4 3482 B11R0.142 COC(=O)C(=O)NCCCSC 1626a_100000749238_100000024059 [1,1,0,0,0,0|2,0,0]=4 3483 B11R0.142 COC(=O)C(=O)NCCCSC 240690a_100000749238_100000024059 [1,1,0,0,0,0|2,0,0]=4 3484 B11R0.142 COC(=O)C(=O)NCCCSC 527a_100000749238_100000024059 [1,1,0,0,0,0|2,0,0]=4 3485 B11R0.142 COCCCNC(=O)C(=O)OC 1626a_100150723488_100000024059 [1,1,0,0,0,0|2,0,0]=4 3486 B11R0.142 COCCCNC(=O)C(=O)OC 240690a_100150723488_100000024059 [1,1,0,0,0,0|2,0,0]=4 3487 B11R0.142 COCCCNC(=O)C(=O)OC 527a_100150723488_100000024059 [1,1,0,0,0,0|2,0,0]=4 3488 B11R0.142 COCCOCC(=O)C(=O)OC 34a_100000210237_100011610305 [1,1,0,0,0,0|2,0,0]=4 3489 B11R0.142 COCCSCC(=O)C(=O)OC 62a_100000233755_100011610305 [1,1,0,0,0,0|2,0,0]=4 3490 B11R0.142 COCCSCC(=O)C(=O)OC 62a_100011610305_100000233755 [1,1,0,0,0,0|2,0,0]=4 3491 B11R0.154 CCCCCC(=O)C=C(C)CC 1458a_100020758463_100000210326 [1,1,0,0,0,0|2,0,0]=4 3492 B11R0.154 CCCCCC(=O)CC(=O)CC 1458a_100000210414_200012276598 [1,1,0,0,0,0|1,0,1]=4 3493 B11R0.154 CCCCCC(=O)CC(=O)CC 1458a_100000212188_100000747405 [1,1,0,0,0,0|1,0,1]=4 3494 B11R0.154 CCCCCC(=O)CC(=O)NC 1458a_100000212188_100000183359 [1,1,0,0,0,0|1,0,1]=4 3495 B11R0.154 CCCCCC(=O)CC(=O)OC 1458a_100000211351_100000210326 [1,1,0,0,0,0|0,0,1]=3 3496 B11R0.154 CCCCCC(=O)CC(=O)OC 1458a_100000212188_100000747449 [1,1,0,0,0,0|0,0,1]=3 3497 B11R0.154 CCCCCC(C)NC(=O)CC 11a_100000211957_100000210414 [1,1,0,0,0,0|2,0,0]=4 3498 B11R0.154 CCCCCC(C)NC(=O)CC 1626a_100000211957_100000210414 [1,1,0,0,0,0|2,0,0]=4 3499 B11R0.154 CCCCCC(C)NC(=O)CC 240690a_100000211957_100000210414 [1,1,0,0,0,0|2,0,0]=4 3500 B11R0.154 CCCCCC(C)NC(=O)CC 527a_100000211957_100000210414 [1,1,0,0,0,0|2,0,0]=4 3501 B11R0.154 CCCCCC(C)NC(=O)NC 2708a_100000211957_106832991635 [1,1,0,0,0,0|2,0,0]=4 3502 B11R0.154 CCCCCC(C)NC(=O)NC 2708a_100102657272_100000211957 [1,1,0,0,0,0|2,0,0]=4 3503 B11R0.154 CCCCCC(C)NC(=O)NC 273464a_100000211957_100102657272 [1,1,0,0,0,0|2,0,0]=4 3504 B11R0.154 CCCCCC(C)NC(=O)NC 273464a_100102657272_100000211957 [1,1,0,0,0,0|2,0,0]=4 3505 B11R0.154 CCCCCC(C)NC(=O)NC 512a_100000211957_100102657272 [1,1,0,0,0,0|2,0,0]=4 3506 B11R0.154 CCCCCC(C)NC(=O)NC 512a_106832991638_100000211957 [1,1,0,0,0,0|2,0,0]=4 3507 B11R0.154 CCCCCN(C)CC(=O)OC 2230a_100000198492_100000210326 [1,1,0,0,0,0|1,0,1]=4 3508 B11R0.154 CCCCCN(C)CC(=O)OC 2230a_100000223495_100000747449 [1,1,0,0,0,0|1,0,1]=4 3509 B11R0.154 CCCCCN(C)CC(=O)OC 269982a_100000223495_100000747449 [1,1,0,0,0,0|1,0,1]=4 3510 B11R0.154 CCCCNC(=O)CC(=O)OC 240690a_100000102301_100000211351 [1,1,0,0,0,0|1,0,1]=4 3511 B11R0.154 CCCCNC(C)CC(=O)OC 2230a_100000102301_100009817358 [1,1,0,0,0,0|1,0,1]=4 3512 B11R0.154 CCCCNC(C)CC(=O)OC 7a_106832991798_100009817358 [1,1,0,0,0,0|1,0,1]=4 3513 B11R0.154 CCCCOC(C)CC(=O)OC 34a_100000210227_100009817358 [1,1,0,0,0,0|1,0,1]=4 3514 B11R0.154 CCCCOC(C)CC(=O)OC 7a_100000210227_100009817358 [1,1,0,0,0,0|1,0,1]=4 3515 B11R0.154 CCCCSC(C)CC(=O)OC 62a_100000210211_100009817358 [1,1,0,0,0,0|1,0,1]=4 3516 B11R0.154 CCCCSC(C)CC(=O)OC 62a_100009817358_100000210210 [1,1,0,0,0,0|1,0,1]=4 3517 B11R0.154 CCCOCC(=O)CC(=O)OC 1458a_100000745993_100000747449 [1,1,0,0,0,0|1,0,1]=4 3518 B11R0.154 CCCOC[C@H](O)CC(=O)OC 34a_100000210258_100000754131 [1,1,0,0,0,0|1,0,1]=4 3519 B11R0.154 CCCSCC(=O)CC(=O)OC 1458a_100000217233_100000747449 [1,1,0,0,0,0|1,0,1]=4 3520 B11R0.154 CCCSCC(=O)CC(=O)OC 62a_100000210303_100000210525 [1,1,0,0,0,0|1,0,1]=4 3521 B11R0.154 CCCSCC(=O)CC(=O)OC 62a_100000210525_100000210303 [1,1,0,0,0,0|1,0,1]=4 3522 B11R0.154 CCCSCC(=O)NC(=O)OC 62a_100000210303_100000010850 [1,1,0,0,0,0|2,0,0]=4 3523 B11R0.154 CCCSC[C@H](O)CC(=O)OC 62a_100000210303_100000754131 [1,1,0,0,0,0|1,0,1]=4 3524 B11R0.154 CCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000210303 [1,1,0,0,0,0|1,0,1]=4 3525 B11R0.154 CCOCCC(=O)CC(=O)OC 1458a_100000211351_100011215890 [1,1,0,0,0,0|1,0,1]=4 3526 B11R0.154 CCOCCC(=O)CC(=O)OC 1458a_100000749530_100000747449 [1,1,0,0,0,0|1,0,1]=4 3527 B11R0.154 CCSCCC(=O)CC(=O)OC 1458a_100000211351_100000757381 [1,1,0,0,0,0|1,0,1]=4 3528 B11R0.154 CCSCCC(=O)CC(=O)OC 1458a_100000230768_100000747449 [1,1,0,0,0,0|1,0,1]=4 3529 B11R0.154 COC(=O)CC(=O)CCCCF 1458a_100000211351_100000729493 [1,1,0,0,0,0|1,0,1]=4 3530 B11R0.154 COC(=O)CC(=O)CCCCO 1458a_100000211351_100000210776 [1,1,0,0,0,0|1,0,1]=4 3531 B11R0.154 COC(=O)CC(=O)CCCCO 1458a_100000695505_100000747449 [1,1,0,0,0,0|1,0,1]=4 3532 B11R0.154 COC(=O)CC(=O)CCCSC 1458a_100000173376_100000747449 [1,1,0,0,0,0|1,0,1]=4 3533 B11R0.154 COCCCC(=O)CC(=O)OC 1458a_100000211351_100000740836 [1,1,0,0,0,0|1,0,1]=4 3534 B11R0.154 COCCCC(=O)CC(=O)OC 1458a_100000741012_100000747449 [1,1,0,0,0,0|1,0,1]=4 3535 B11R0.174 CCCC(=O)CCCC(=O)OC 1458a_100000211992_100011218270 [1,1,0,0,0,0|0,0,2]=4 3536 B11R0.174 CCCC(=O)CCCC(=O)OC 1458a_100000239890_100000210303 [1,1,0,0,0,0|0,0,2]=4 3537 B11R0.174 CCCC(C)COCC(=O)OC 34a_100000688023_100000747449 [1,1,0,0,0,0|1,0,1]=4 3538 B11R0.174 CCCC(C)COCC(=O)OC 7a_100000688023_100000747449 [1,1,0,0,0,0|1,0,1]=4 3539 B11R0.174 CCCC(C)CSCC(=O)OC 62a_100000747449_100011216630 [1,1,0,0,0,0|1,0,1]=4 3540 B11R0.174 CCCC(C)CSCC(=O)OC 62a_100011216630_100000747449 [1,1,0,0,0,0|1,0,1]=4 3541 B11R0.174 CCCC(C)NCCC(=O)OC 2230a_100000741246_100000204255 [1,1,0,0,0,0|1,0,1]=4 3542 B11R0.174 CCCC(C)OCCC(=O)OC 34a_100000764384_100000742370 [1,1,0,0,0,0|1,0,1]=4 3543 B11R0.174 CCCC(C)OCCC(=O)OC 7a_100000764384_100000204255 [1,1,0,0,0,0|1,0,1]=4 3544 B11R0.174 CCCC(C)SCCC(=O)OC 62a_100000204255_100000766640 [1,1,0,0,0,0|1,0,1]=4 3545 B11R0.174 CCCC(C)SCCC(=O)OC 62a_100000766640_100000204255 [1,1,0,0,0,0|1,0,1]=4 3546 B11R0.174 CCCC(C)SCOC(=O)OC 62a_100000766640_100000139417 [1,1,0,0,0,0|2,0,0]=4 3547 B11R0.174 CCCN(C)C/C=C/C(=O)OC 2230a_100000747261_100000742655 [1,1,0,0,0,0|1,0,0]=3 3548 B11R0.174 CCCN(C)C/C=C/C(=O)OC 269982a_100000747261_100000742655 [1,1,0,0,0,0|1,0,0]=3 3549 B11R0.174 CCCN(C)CCCC(=O)OC 2230a_100000747261_100011218270 [1,1,0,0,0,0|1,0,1]=4 3550 B11R0.174 CCCN(C)CCCC(=O)OC 269982a_100000739225_100000210303 [1,1,0,0,0,0|1,0,1]=4 3551 B11R0.174 CCCN(C)CCCC(=O)OC 269982a_100000747261_100011218270 [1,1,0,0,0,0|1,0,1]=4 3552 B11R0.174 CCC[C@H](N)COCC(=O)OC 34a_100000732646_100000747449 [1,1,0,0,0,0|1,0,1]=4 3553 B11R0.174 COC(=O)/C=C/CN(C)CCO 2230a_100000210263_100000742655 [1,1,0,0,0,0|2,0,0]=4 3554 B11R0.174 COC(=O)/C=C/CN(C)CCO 269982a_100000210263_100000742655 [1,1,0,0,0,0|2,0,0]=4 3555 B13R0.2 C#CCC(=O)C/C=C/CCCCCC 1458a_100020681715_100000184674 [0,2,0,0,0,0|1,0,1]=4 3556 B13R0.2 C#CCC(=O)C=CCCCCCCC 1458a_200015332781_100000184674 [0,2,0,0,0,0|1,0,1]=4 3557 B13R0.2 C#CCCCNC/C=C/C(=O)OCC 34a_100000718082_100016267167 [0,2,0,0,0,0|0,0,2]=4 3558 B13R0.2 C#CCCCOC/C=C/C(=O)OCC 34a_100000215630_100016267167 [0,2,0,0,0,0|0,0,2]=4 3559 B13R0.2 C#CCCCOC/C=C/C(=O)OCC 7a_100000215630_100016267167 [0,2,0,0,0,0|0,0,2]=4 3560 B13R0.2 C#CCCCSC/C=C/C(=O)OCC 62a_100011215417_100016267167 [0,2,0,0,0,0|0,0,2]=4 3561 B13R0.2 C#CCCCSC/C=C/C(=O)OCC 62a_100016267167_100011215417 [0,2,0,0,0,0|0,0,2]=4 3562 B13R0.2 C/C=C/CCOC/C=C/C(=O)OCC 34a_100016278192_100016267167 [0,2,0,0,0,0|0,0,2]=4 3563 B13R0.2 C=CCC(=O)C/C=C/CCCCCC 1458a_100020681715_100000210623 [0,2,0,0,0,0|1,0,1]=4 3564 B13R0.2 C=CCC(=O)C=CCCCCCCC 1458a_200015332781_100000210623 [0,2,0,0,0,0|1,0,1]=4 3565 B13R0.2 C=CCCCNC/C=C/C(=O)OCC 2230a_100000700776_100016267167 [0,2,0,0,0,0|0,0,2]=4 3566 B13R0.2 C=CCCCNC/C=C/C(=O)OCC 34a_100000700776_100016267167 [0,2,0,0,0,0|0,0,2]=4 3567 B13R0.2 C=CCCCOC/C=C/C(=O)OCC 34a_100000758997_100016267167 [0,2,0,0,0,0|0,0,2]=4 3568 B13R0.2 C=CCCCOC/C=C/C(=O)OCC 7a_100000758997_100016267167 [0,2,0,0,0,0|0,0,2]=4 3569 B13R0.2 C=CCCCSC/C=C/C(=O)OCC 62a_100011713584_100016267167 [0,2,0,0,0,0|0,0,2]=4 3570 B13R0.2 C=CCCCSC/C=C/C(=O)OCC 62a_100016267167_100000757094 [0,2,0,0,0,0|0,0,2]=4 3571 B13R0.2 CC#CCCOC/C=C/C(=O)OCC 34a_100000750427_100016267167 [0,2,0,0,0,0|0,0,2]=4 3572 B13R0.2 CC/C=C\COC/C=C/C(=O)OCC 34a_100016268518_100016267167 [0,2,0,0,0,0|0,0,2]=4 3573 B13R0.2 CC/C=C\CSC/C=C/C(=O)OCC 62a_100016267167_100103147603 [0,2,0,0,0,0|0,0,2]=4 3574 B13R0.2 CC/C=C\CSC/C=C/C(=O)OCC 62a_100103147603_100016267167 [0,2,0,0,0,0|0,0,2]=4 3575 B13R0.2 CCC#CCOC/C=C/C(=O)OCC 34a_100000032950_100016267167 [0,2,0,0,0,0|0,0,2]=4 3576 B13R0.2 CCC#CCSC/C=C/C(=O)OCC 62a_100009813939_100016267167 [0,2,0,0,0,0|0,0,2]=4 3577 B13R0.2 CCC#CCSC/C=C/C(=O)OCC 62a_100016267167_100009813939 [0,2,0,0,0,0|0,0,2]=4 3578 B13R0.2 CCCCCC/C=C/CC(=O)CC#N 1458a_100020681715_100011214920 [0,2,0,0,0,0|1,0,1]=4 3579 B13R0.2 CCCCCC/C=C/CC(=O)CCC 1458a_100020681715_100000210303 [0,2,0,0,0,0|1,0,0]=3 3580 B13R0.2 CCCCCC/C=C/CC(=O)CCF 1458a_100020681715_100011217306 [0,2,0,0,0,0|1,0,0]=3 3581 B13R0.2 CCCCCC/C=C/CC(=O)CCO 1458a_100020681715_100000211926 [0,2,0,0,0,0|1,0,0]=3 3582 B13R0.2 CCCCCC/C=C/CC(=O)NCC 11a_100015525214_100020681715 [0,2,0,0,0,0|1,0,0]=3 3583 B13R0.2 CCCCCC/C=C/CC(=O)NCC 240690a_100015525214_100020681715 [0,2,0,0,0,0|1,0,0]=3 3584 B13R0.2 CCCCCC/C=C/CC(=O)NNC 22a_100016993582_100020681715 [0,2,0,0,0,0|1,0,0]=3 3585 B13R0.2 CCCCCCC=NNC(=O)CCC 4a_100000189770_100000234349 [0,2,0,0,0,0|2,0,0]=4 3586 B13R0.2 CCCCCCC=NNC(=O)COC 4a_100000216845_100000234349 [0,2,0,0,0,0|1,0,0]=3 3587 B13R0.2 CCCCCCCC=CC(=O)CC#N 1458a_200015332781_100011214920 [0,2,0,0,0,0|1,0,1]=4 3588 B13R0.2 CCCCCCCC=CC(=O)CCC 1458a_200015332781_100000210303 [0,2,0,0,0,0|1,0,0]=3 3589 B13R0.2 CCCCCCCC=CC(=O)CCF 1458a_200015332781_100011217306 [0,2,0,0,0,0|1,0,0]=3 3590 B13R0.2 CCCCCCCC=CC(=O)CCO 1458a_200015332781_100000211926 [0,2,0,0,0,0|1,0,0]=3 3591 B13R0.2 CCCCCCCC=CC(=O)NCC 11a_100015525214_200015332781 [0,2,0,0,0,0|1,0,0]=3 3592 B13R0.2 CCCCCCCC=CC(=O)NCC 240690a_100015525214_200015332781 [0,2,0,0,0,0|1,0,0]=3 3593 B13R0.2 CCCCCCCC=CC(=O)NNC 22a_100016993582_200015332781 [0,2,0,0,0,0|1,0,0]=3 3594 B13R0.2 CCCCCCCCCC(=O)COC 1458a_100000210968_100000210670 [0,2,0,0,0,0|0,0,2]=4 3595 B13R0.2 CCCCCCCCNC(=O)COC 11a_100000229939_100000210968 [0,2,0,0,0,0|0,0,2]=4 3596 B13R0.2 CCCCCCCCNC(=O)COC 1626a_100000229939_100000210968 [0,2,0,0,0,0|0,0,2]=4 3597 B13R0.2 CCCCCCCCNC(=O)COC 240690a_100000229939_100000210968 [0,2,0,0,0,0|0,0,2]=4 3598 B13R0.2 CCCCCCCCNC(=O)COC 527a_100000229939_100000210968 [0,2,0,0,0,0|0,0,2]=4 3599 B13R0.2 CCCCCCCNCC(=O)OCC 2230a_100000229938_100000188475 [0,2,0,0,0,0|0,0,2]=4 3600 B13R0.2 CCCCCCCOCC(=O)OCC 34a_100000210272_100000188475 [0,2,0,0,0,0|0,0,2]=4 3601 B13R0.2 CCCCCCCOCC(=O)OCC 7a_100000210272_100000188475 [0,2,0,0,0,0|0,0,2]=4 3602 B13R0.2 CCCCCCCSCC(=O)OCC 62a_100000188475_100000210316 [0,2,0,0,0,0|0,0,2]=4 3603 B13R0.2 CCCCCCCSCC(=O)OCC 62a_100000210614_100000188475 [0,2,0,0,0,0|0,0,2]=4 3604 B13R0.2 CCCCCCNCCC(=O)OCC 2230a_100000210581_100011206558 [0,2,0,0,0,0|0,0,2]=4 3605 B13R0.2 CCCCCCOCCC(=O)OCC 34a_100000210259_100000765890 [0,2,0,0,0,0|0,0,2]=4 3606 B13R0.2 CCCCCCOCCC(=O)OCC 7a_100000210259_100011206558 [0,2,0,0,0,0|0,0,2]=4 3607 B13R0.2 CCCCCCSCCC(=O)OCC 62a_100000210314_100000765890 [0,2,0,0,0,0|0,0,2]=4 3608 B13R0.2 CCCCCCSCCC(=O)OCC 62a_100000765890_100000210757 [0,2,0,0,0,0|0,0,2]=4 3609 B13R0.2 CCCCCCSCOC(=O)OCC 62a_100000210314_100000075025 [0,2,0,0,0,0|1,0,1]=4 3610 B13R0.2 CCCCCNC/C=C/C(=O)OCC 2230a_100000209983_100016267167 [0,2,0,0,0,0|0,0,0]=2 3611 B13R0.2 CCCCCNCCCC(=O)OCC 2230a_100000209983_100009991533 [0,2,0,0,0,0|0,0,2]=4 3612 B13R0.2 CCCCCNN=C[CH-]C(=O)OCC 4a_100000694160_100010622808 [0,2,0,0,0,0|1,0,1]=4 3613 B13R0.2 CCCCCOC/C=C/C(=O)OCC 34a_100000210253_100016267167 [0,2,0,0,0,0|0,0,0]=2 3614 B13R0.2 CCCCCOC/C=C/C(=O)OCC 7a_100000210253_100016267167 [0,2,0,0,0,0|0,0,0]=2 3615 B13R0.2 CCCCCOCCCC(=O)OCC 34a_100000210253_100009991533 [0,2,0,0,0,0|0,0,2]=4 3616 B13R0.2 CCCCCOCCCC(=O)OCC 7a_100000210253_100011215271 [0,2,0,0,0,0|0,0,2]=4 3617 B13R0.2 CCCCCOCCCC(=O)OCC 7a_100012001163_100000210326 [0,2,0,0,0,0|0,0,2]=4 3618 B13R0.2 CCCCCOCCNC(=O)OCC 34a_100000158857_100000718602 [0,2,0,0,0,0|1,0,1]=4 3619 B13R0.2 CCCCCOCCNC(=O)OCC 7a_100000210253_200011445536 [0,2,0,0,0,0|1,0,1]=4 3620 B13R0.2 CCCCCSC/C=C/C(=O)OCC 62a_100000210326_100016267167 [0,2,0,0,0,0|0,0,0]=2 3621 B13R0.2 CCCCCSC/C=C/C(=O)OCC 62a_100016267167_100000210326 [0,2,0,0,0,0|0,0,0]=2 3622 B13R0.2 CCCCCSCCCC(=O)OCC 62a_100000210326_100009991533 [0,2,0,0,0,0|0,0,2]=4 3623 B13R0.2 CCCCCSCCCC(=O)OCC 62a_100009991533_100000210326 [0,2,0,0,0,0|0,0,2]=4 3624 B13R0.2 CCCCCSCCNC(=O)OCC 62a_100000210326_200011445536 [0,2,0,0,0,0|1,0,1]=4 3625 B13R0.2 CCCCNCCCCC(=O)OCC 2230a_100000102301_100000750268 [0,2,0,0,0,0|0,0,2]=4 3626 B13R0.2 CCCCNCCCCC(=O)OCC 7a_106832991798_100000750268 [0,2,0,0,0,0|0,0,2]=4 3627 B13R0.2 CCCCNCCOCC(=O)OCC 2230a_100000102301_100000088970 [0,2,0,0,0,0|1,0,1]=4 3628 B13R0.2 CCCCNCCOCC(=O)OCC 7a_106832991798_100000088970 [0,2,0,0,0,0|1,0,1]=4 3629 B13R0.2 CCCCNN=CC=CC(=O)OCC 4a_100025702795_100016289910 [0,2,0,0,0,0|1,0,1]=4 3630 B13R0.2 CCCCOCCCCC(=O)OCC 34a_100000210227_100000750268 [0,2,0,0,0,0|0,0,2]=4 3631 B13R0.2 CCCCOCCCCC(=O)OCC 7a_100000210227_100000750268 [0,2,0,0,0,0|0,0,2]=4 3632 B13R0.2 CCCCOCCCNC(=O)COC 1626a_200000211371_100000210968 [0,2,0,0,0,0|1,0,1]=4 3633 B13R0.2 CCCCOCCCNC(=O)COC 240690a_200000211371_100000210968 [0,2,0,0,0,0|1,0,1]=4 3634 B13R0.2 CCCCOCCCNC(=O)COC 527a_200000211371_100000210968 [0,2,0,0,0,0|1,0,1]=4 3635 B13R0.2 CCCCOCCOCC(=O)OCC 34a_100000210227_100000088970 [0,2,0,0,0,0|1,0,1]=4 3636 B13R0.2 CCCCOCCOCC(=O)OCC 34a_100000210238_100000188475 [0,2,0,0,0,0|1,0,1]=4 3637 B13R0.2 CCCCOCCOCC(=O)OCC 7a_100000210227_100000088970 [0,2,0,0,0,0|1,0,1]=4 3638 B13R0.2 CCCCOCCOCC(=O)OCC 7a_100000210238_100000188475 [0,2,0,0,0,0|1,0,1]=4 3639 B13R0.2 CCCCOCCSCC(=O)OCC 62a_100000188475_100000743108 [0,2,0,0,0,0|1,0,1]=4 3640 B13R0.2 CCCCOCCSCC(=O)OCC 62a_100000743108_100000188475 [0,2,0,0,0,0|1,0,1]=4 3641 B13R0.2 CCCCOCCSCC(=O)OCC 7a_200000230590_100000210211 [0,2,0,0,0,0|1,0,1]=4 3642 B13R0.2 CCCCSCC=NNC(=O)OCC 62a_100000210211_100015372823 [0,2,0,0,0,0|2,0,0]=4 3643 B13R0.2 CCCCSCCCCC(=O)OCC 62a_100000210211_100000750268 [0,2,0,0,0,0|0,0,2]=4 3644 B13R0.2 CCCCSCCCCC(=O)OCC 62a_100000750268_100000210210 [0,2,0,0,0,0|0,0,2]=4 3645 B13R0.2 CCCCSCCNCC(=O)OCC 2230a_100025743550_100000188475 [0,2,0,0,0,0|1,0,1]=4 3646 B13R0.2 CCCCSCCOCC(=O)OCC 34a_200000230436_100000188475 [0,2,0,0,0,0|1,0,1]=4 3647 B13R0.2 CCCCSCCOCC(=O)OCC 62a_100000088970_100000210210 [0,2,0,0,0,0|1,0,1]=4 3648 B13R0.2 CCCCSCCOCC(=O)OCC 62a_100000210211_100000088970 [0,2,0,0,0,0|1,0,1]=4 3649 B13R0.2 CCCCSCCOCC(=O)OCC 7a_200000230436_100000188475 [0,2,0,0,0,0|1,0,1]=4 3650 B13R0.2 CCCOCCCCCC(=O)OCC 34a_100000210258_100000755133 [0,2,0,0,0,0|0,0,2]=4 3651 B13R0.2 CCCOCCCCCC(=O)OCC 7a_100011214988_100000210303 [0,2,0,0,0,0|0,0,2]=4 3652 B13R0.2 CCCOCCCNCC(=O)OCC 2230a_100011217757_100000188475 [0,2,0,0,0,0|1,0,1]=4 3653 B13R0.2 CCCOCCCNCC(=O)OCC 34a_100011217757_100000188475 [0,2,0,0,0,0|1,0,1]=4 3654 B13R0.2 CCCOCCCOCC(=O)OCC 34a_100000210258_100009893628 [0,2,0,0,0,0|1,0,1]=4 3655 B13R0.2 CCCSCCCCCC(=O)OCC 62a_100000210303_100000755133 [0,2,0,0,0,0|0,0,2]=4 3656 B13R0.2 CCCSCCCCCC(=O)OCC 62a_100000755133_100000210303 [0,2,0,0,0,0|0,0,2]=4 3657 B13R0.2 CCCSCCCOCC(=O)OCC 62a_100000210303_100009893628 [0,2,0,0,0,0|1,0,1]=4 3658 B13R0.2 CCCSCCCOCC(=O)OCC 62a_100009893628_100000210303 [0,2,0,0,0,0|1,0,1]=4 3659 B13R0.2 CCNCCCCCCC(=O)OCC 2230a_100015525214_100009814379 [0,2,0,0,0,0|0,0,2]=4 3660 B13R0.2 CCOC(=O)/C=C/CNCCCCO 2230a_100000750430_100016267167 [0,2,0,0,0,0|1,0,0]=3 3661 B13R0.2 CCOC(=O)/C=C/CNCCCCO 34a_100000750430_100016267167 [0,2,0,0,0,0|1,0,0]=3 3662 B13R0.2 CCOC(=O)/C=C/CNCCCOC 34a_100150723488_100016267167 [0,2,0,0,0,0|1,0,0]=3 3663 B13R0.2 CCOC(=O)/C=C/CNCCCSC 2230a_100000749238_100016267167 [0,2,0,0,0,0|1,0,0]=3 3664 B13R0.2 CCOC(=O)/C=C/CNCCSCC 2230a_100000106463_100016267167 [0,2,0,0,0,0|1,0,0]=3 3665 B13R0.2 CCOC(=O)/C=C/COCCCCBr 34a_100011216708_100016267167 [0,2,0,0,0,0|1,0,0]=3 3666 B13R0.2 CCOC(=O)/C=C/COCCCCCl 34a_100000210776_100016267167 [0,2,0,0,0,0|1,0,0]=3 3667 B13R0.2 CCOC(=O)/C=C/COCCCCCl 7a_100000210776_100016267167 [0,2,0,0,0,0|1,0,0]=3 3668 B13R0.2 CCOC(=O)/C=C/COCCCCF 34a_100011995726_100016267167 [0,2,0,0,0,0|1,0,0]=3 3669 B13R0.2 CCOC(=O)/C=C/COCCCCF 7a_100011995726_100016267167 [0,2,0,0,0,0|1,0,0]=3 3670 B13R0.2 CCOC(=O)/C=C/COCCCCI 34a_200012148704_100016267167 [0,2,0,0,0,0|1,0,0]=3 3671 B13R0.2 CCOC(=O)/C=C/COCCCCN 34a_100000750430_100016267167 [0,2,0,0,0,0|1,0,0]=3 3672 B13R0.2 CCOC(=O)/C=C/COCCCNC 34a_100000213112_100016267167 [0,2,0,0,0,0|1,0,0]=3 3673 B13R0.2 CCOC(=O)/C=C/COCCCOC 34a_100000740835_100016267167 [0,2,0,0,0,0|1,0,0]=3 3674 B13R0.2 CCOC(=O)/C=C/COCCCSC 34a_100000690336_100016267167 [0,2,0,0,0,0|1,0,0]=3 3675 B13R0.2 CCOC(=O)/C=C/COCCCSC 7a_100000690336_100016267167 [0,2,0,0,0,0|1,0,0]=3 3676 B13R0.2 CCOC(=O)/C=C/COCCSCC 34a_100000212035_100016267167 [0,2,0,0,0,0|1,0,0]=3 3677 B13R0.2 CCOC(=O)/C=C/COCCSCC 7a_100000212035_100016267167 [0,2,0,0,0,0|1,0,0]=3 3678 B13R0.2 CCOC(=O)/C=C/CSCCCC#N 62a_100000687738_100016267167 [0,2,0,0,0,0|1,0,1]=4 3679 B13R0.2 CCOC(=O)/C=C/CSCCCC#N 62a_100016267167_100000687738 [0,2,0,0,0,0|1,0,1]=4 3680 B13R0.2 CCOC(=O)/C=C/CSCCCC=O 62a_100016267167_200011292268 [0,2,0,0,0,0|1,0,1]=4 3681 B13R0.2 CCOC(=O)/C=C/CSCCCC=O 62a_200011292268_100016267167 [0,2,0,0,0,0|1,0,1]=4 3682 B13R0.2 CCOC(=O)/C=C/CSCCCCF 62a_100000729493_100016267167 [0,2,0,0,0,0|1,0,0]=3 3683 B13R0.2 CCOC(=O)/C=C/CSCCCCF 62a_100016267167_100000729493 [0,2,0,0,0,0|1,0,0]=3 3684 B13R0.2 CCOC(=O)/C=C/CSCCCCO 62a_100000210776_100016267167 [0,2,0,0,0,0|1,0,0]=3 3685 B13R0.2 CCOC(=O)/C=C/CSCCCCO 62a_100016267167_100000210776 [0,2,0,0,0,0|1,0,0]=3 3686 B13R0.2 CCOC(=O)/C=C/CSCCCOC 62a_100000709357_100016267167 [0,2,0,0,0,0|1,0,0]=3 3687 B13R0.2 CCOC(=O)/C=C/CSCCCOC 62a_100016267167_100000709357 [0,2,0,0,0,0|1,0,0]=3 3688 B13R0.2 CCOC(=O)/C=C/CSCCSCC 62a_100000757381_100016267167 [0,2,0,0,0,0|1,0,0]=3 3689 B13R0.2 CCOC(=O)/C=C/CSCCSCC 62a_100016267167_100000757381 [0,2,0,0,0,0|1,0,0]=3 3690 B13R0.2 CCOC(=O)CCCCCCCNC 2230a_106832991635_100009991516 [0,2,0,0,0,0|0,0,2]=4 3691 B13R0.2 CCOC(=O)CCCCCCCNC 34a_100102657272_100009991516 [0,2,0,0,0,0|0,0,2]=4 3692 B13R0.2 CCOC(=O)CCCCCCCNC 7a_106832991635_100009991516 [0,2,0,0,0,0|0,0,2]=4 3693 B13R0.2 CCOC(=O)CCCCCCCOC 34a_100138415774_100009991516 [0,2,0,0,0,0|0,0,2]=4 3694 B13R0.2 CCOC(=O)CCCCCCCSC 62a_200000210301_100009991516 [0,2,0,0,0,0|0,0,2]=4 3695 B13R0.2 CCOC(=O)CCCCCCCS[13CH3] 62a_200025704644_100009991516 [0,2,0,0,0,0|0,0,2]=4 3696 B13R0.2 CCOC(=O)CCCCCCSCC 62a_100000210202_100009814379 [0,2,0,0,0,0|0,0,2]=4 3697 B13R0.2 CCOC(=O)CNCCCCCCO 2230a_100000686447_100000188475 [0,2,0,0,0,0|1,0,1]=4 3698 B13R0.2 CCOC(=O)CNCCCCCCO 34a_100000686447_100000188475 [0,2,0,0,0,0|1,0,1]=4 3699 B13R0.2 CCOC(=O)CNCCCCCOC 2230a_100000747528_100000188475 [0,2,0,0,0,0|1,0,1]=4 3700 B13R0.2 CCOC(=O)CNCCCCCOC 34a_100000747528_100000188475 [0,2,0,0,0,0|1,0,1]=4 3701 B13R0.2 CCOC(=O)COCCCCCCBr 34a_100011215345_100000188475 [0,2,0,0,0,0|1,0,1]=4 3702 B13R0.2 CCOC(=O)COCCCCCCBr 7a_100011215345_100000188475 [0,2,0,0,0,0|1,0,1]=4 3703 B13R0.2 CCOC(=O)COCCCCCCCl 34a_100000766143_100000188475 [0,2,0,0,0,0|1,0,1]=4 3704 B13R0.2 CCOC(=O)COCCCCCCCl 7a_100000766143_100000188475 [0,2,0,0,0,0|1,0,1]=4 3705 B13R0.2 CCOC(=O)COCCCCCCF 34a_100000732779_100000188475 [0,2,0,0,0,0|1,0,1]=4 3706 B13R0.2 CCOC(=O)COCCCCCCF 7a_100000732779_100000188475 [0,2,0,0,0,0|1,0,1]=4 3707 B13R0.2 CCOC(=O)COCCCCCCN 34a_100000686447_100000188475 [0,2,0,0,0,0|1,0,1]=4 3708 B13R0.2 CCOC(=O)COCCCCCNC 34a_100000722520_100000188475 [0,2,0,0,0,0|1,0,1]=4 3709 B13R0.2 CCOC(=O)CSCCCCCCF 62a_100000188475_100015922095 [0,2,0,0,0,0|1,0,1]=4 3710 B13R0.2 CCOC(=O)CSCCCCCCF 62a_100015922095_100000188475 [0,2,0,0,0,0|1,0,1]=4 3711 B13R0.2 CCOC(=O)CSCCCCCCO 62a_100000188475_100000766143 [0,2,0,0,0,0|1,0,1]=4 3712 B13R0.2 CCOC(=O)CSCCCCCCO 62a_100000766143_100000188475 [0,2,0,0,0,0|1,0,1]=4 3713 B13R0.2 CCOCCCCCCC(=O)OCC 34a_100121572206_100009814379 [0,2,0,0,0,0|0,0,2]=4 3714 B13R0.2 CCOCCNC/C=C/C(=O)OCC 2230a_102516460346_100016267167 [0,2,0,0,0,0|1,0,0]=3 3715 B13R0.2 CCOCCNC/C=C/C(=O)OCC 34a_102516460346_100016267167 [0,2,0,0,0,0|1,0,0]=3 3716 B13R0.2 CCOCCOC/C=C/C(=O)OCC 34a_100000210136_100016267167 [0,2,0,0,0,0|1,0,0]=3 3717 B13R0.2 CCOCCOC/C=C/C(=O)OCC 7a_100000210136_100016267167 [0,2,0,0,0,0|1,0,0]=3 3718 B13R0.2 CCOCCSC/C=C/C(=O)OCC 62a_100000210147_100016267167 [0,2,0,0,0,0|1,0,0]=3 3719 B13R0.2 CCOCCSC/C=C/C(=O)OCC 62a_100016267167_100011215890 [0,2,0,0,0,0|1,0,0]=3 3720 B13R0.2 COCC(=O)CCCCCCCCO 1458a_100000210968_100000033203 [0,2,0,0,0,0|0,0,2]=4 3721 B13R0.2 COCC(=O)NCCCCCCCO 240690a_100011996573_100000210968 [0,2,0,0,0,0|1,0,1]=4 3722 B13R0.66 C#CCCC(=O)C=CCCCCCC 1458a_200015324643_100000753159 [0,2,0,0,0,0|1,0,0]=3 3723 B13R0.66 C#CCNC(=O)C=CCCCCCC 11a_100000212058_200015324643 [0,2,0,0,0,0|1,0,0]=3 3724 B13R0.66 C#CCNC(=O)C=CCCCCCC 1626a_100000212058_200015324643 [0,2,0,0,0,0|1,0,0]=3 3725 B13R0.66 C#CCNC(=O)C=CCCCCCC 240690a_100000212058_200015324643 [0,2,0,0,0,0|1,0,0]=3 3726 B13R0.66 C/C=C/CC(=O)C=CCCCCCC 1458a_200015324643_100102629194 [0,2,0,0,0,0|1,0,0]=3 3727 B13R0.66 C=CCCC(=O)C=CCCCCCC 1458a_200015324643_100000754431 [0,2,0,0,0,0|1,0,0]=3 3728 B13R0.66 C=CCNC(=O)C=CCCCCCC 1626a_100020586998_200015324643 [0,2,0,0,0,0|1,0,0]=3 3729 B13R0.66 C=CCNC(=O)C=CCCCCCC 240690a_100020586998_200015324643 [0,2,0,0,0,0|1,0,0]=3 3730 B13R0.66 C=CCOC(=O)CNCCCCCC 2230a_100000210581_100000033060 [0,2,0,0,0,0|1,0,1]=4 3731 B13R0.66 C=CCOC(=O)COCCCCCC 34a_100000210259_100000033060 [0,2,0,0,0,0|1,0,1]=4 3732 B13R0.66 C=CCOC(=O)COCCCCCC 7a_100000210259_100000033060 [0,2,0,0,0,0|1,0,1]=4 3733 B13R0.66 C=CCOC(=O)CSCCCCCC 62a_100000033060_100000210757 [0,2,0,0,0,0|1,0,1]=4 3734 B13R0.66 C=CCOC(=O)CSCCCCCC 62a_100000210314_100000033060 [0,2,0,0,0,0|1,0,1]=4 3735 B13R0.66 CC#CCC(=O)C=CCCCCCC 1458a_200015324643_100000748600 [0,2,0,0,0,0|1,0,0]=3 3736 B13R0.66 CC=CCC(=O)C=CCCCCCC 1458a_200015324643_100000070051 [0,2,0,0,0,0|1,0,0]=3 3737 B13R0.66 CCCCC/C=C/CC(=O)CCOC 1458a_100020675968_100000233755 [0,2,0,0,0,0|0,0,2]=4 3738 B13R0.66 CCCCCCC=CC(=NNCC)C 4a_100000756455_200020667302 [0,2,0,0,0,0|2,0,0]=4 3739 B13R0.66 CCCCCCC=CC(=O)CCC#N 1458a_200015324643_100011215226 [0,2,0,0,0,0|1,0,0]=3 3740 B13R0.66 CCCCCCC=CC(=O)CCCC 1458a_200015324643_100000210211 [0,2,0,0,0,0|1,0,0]=3 3741 B13R0.66 CCCCCCC=CC(=O)CCCF 1458a_200015324643_100011934791 [0,2,0,0,0,0|1,0,0]=3 3742 B13R0.66 CCCCCCC=CC(=O)CCCO 1458a_200015324643_100011215043 [0,2,0,0,0,0|1,0,0]=3 3743 B13R0.66 CCCCCCC=CC(=O)CCOC 1458a_200015324643_100000233755 [0,2,0,0,0,0|0,0,0]=2 3744 B13R0.66 CCCCCCC=CC(=O)CCSC 1458a_200015324643_100000751147 [0,2,0,0,0,0|0,1,0]=3 3745 B13R0.66 CCCCCCC=CC(=O)NCC#N 1626a_100000734998_200015324643 [0,2,0,0,0,0|1,0,0]=3 3746 B13R0.66 CCCCCCC=CC(=O)NCCC 11a_100020643023_200015324643 [0,2,0,0,0,0|1,0,0]=3 3747 B13R0.66 CCCCCCC=CC(=O)NCCC 1626a_100020643023_200015324643 [0,2,0,0,0,0|1,0,0]=3 3748 B13R0.66 CCCCCCC=CC(=O)NCCC 240690a_100020643023_200015324643 [0,2,0,0,0,0|1,0,0]=3 3749 B13R0.66 CCCCCCC=CC(=O)NCCF 11a_100000724931_200015324643 [0,2,0,0,0,0|1,0,0]=3 3750 B13R0.66 CCCCCCC=CC(=O)NCCF 1626a_100000724931_200015324643 [0,2,0,0,0,0|1,0,0]=3 3751 B13R0.66 CCCCCCC=CC(=O)NCCF 240690a_100000724931_200015324643 [0,2,0,0,0,0|1,0,0]=3 3752 B13R0.66 CCCCCCC=CC(=O)NCCO 240690a_100000210304_200015324643 [0,2,0,0,0,0|1,0,0]=3 3753 B13R0.66 CCCCCCC=CC(=O)NNCC 22a_100000756455_200015324643 [0,2,0,0,0,0|1,0,0]=3 3754 B13R0.66 CCCCCCCCC(=O)C=COC 1458a_100016268678_100000210759 [0,2,0,0,0,0|0,0,2]=4 3755 B13R0.66 CCCCCCCCC(=O)CCOC 1458a_100000210188_100000233755 [0,2,0,0,0,0|0,0,2]=4 3756 B13R0.66 CCCCCCCCC(=O)CCOC 1458a_100000749529_100000210759 [0,2,0,0,0,0|0,0,2]=4 3757 B13R0.66 CCCCCCCCC(=O)COCC 1458a_100000211967_100000210759 [0,2,0,0,0,0|0,0,2]=4 3758 B13R0.66 CCCCCCCNC(=O)C=COC 1626a_100000229938_100016268678 [0,2,0,0,0,0|1,0,1]=4 3759 B13R0.66 CCCCCCCNC(=O)C=COC 240690a_100000229938_100016268678 [0,2,0,0,0,0|1,0,1]=4 3760 B13R0.66 CCCCCCCNC(=O)CCOC 11a_100000229938_100000749529 [0,2,0,0,0,0|1,0,1]=4 3761 B13R0.66 CCCCCCCNC(=O)CCOC 1626a_100000229938_100000749529 [0,2,0,0,0,0|1,0,1]=4 3762 B13R0.66 CCCCCCCNC(=O)CCOC 240690a_100000229938_100000749529 [0,2,0,0,0,0|1,0,1]=4 3763 B13R0.66 CCCCCCCNC(=O)CCOC 527a_100000229938_100000749529 [0,2,0,0,0,0|1,0,1]=4 3764 B13R0.66 CCCCCCCNC(=O)COCC 11a_100000229938_100000211967 [0,2,0,0,0,0|1,0,1]=4 3765 B13R0.66 CCCCCCCNC(=O)COCC 1626a_100000229938_100000211967 [0,2,0,0,0,0|1,0,1]=4 3766 B13R0.66 CCCCCCCNC(=O)COCC 240690a_100000229938_100000211967 [0,2,0,0,0,0|1,0,1]=4 3767 B13R0.66 CCCCCCCNC(=O)COCC 527a_100000229938_100000211967 [0,2,0,0,0,0|1,0,1]=4 3768 B13R0.66 CCCCCCNCC(=O)OCCC 2230a_100000210581_200011215008 [0,2,0,0,0,0|1,0,1]=4 3769 B13R0.66 CCCCCCOCC(=O)OCCC 34a_100000210259_200011215008 [0,2,0,0,0,0|1,0,1]=4 3770 B13R0.66 CCCCCCOCC(=O)OCCC 7a_100000210259_200011215008 [0,2,0,0,0,0|1,0,1]=4 3771 B13R0.66 CCCCCCSCC(=O)OCCC 62a_100000210314_200011215008 [0,2,0,0,0,0|1,0,1]=4 3772 B13R0.66 CCCCCCSCC(=O)OCCC 62a_200011215008_100000210757 [0,2,0,0,0,0|1,0,1]=4 3773 B13R0.87 C=CCC(C)COC/C=C/C(=O)OC 34a_100009832082_100000742655 [0,2,0,0,0,0|0,0,2]=4 3774 B13R0.87 C=CCC(C)COC/C=C/C(=O)OC 7a_100009832082_100000742655 [0,2,0,0,0,0|0,0,2]=4 3775 B13R0.87 C=CC[C@@H](N)COC/C=C/C(=O)OC 34a_100020615467_100000742655 [0,2,0,0,0,0|0,0,2]=4 3776 B13R0.87 CCCC(=O)CCCCCC(=O)OC 1458a_100000211992_100009816466 [0,2,0,0,0,0|0,0,2]=4 3777 B13R0.87 CCCC(=O)CCCCCC(=O)OC 1458a_100009848860_100000210303 [0,2,0,0,0,0|0,0,2]=4 3778 B13R0.87 CCCC(=O)CSC/C=C/C(=O)OC 62a_100000742655_100000747444 [0,2,0,0,0,0|0,0,1]=3 3779 B13R0.87 CCCC(=O)CSC/C=C/C(=O)OC 62a_100000747444_100000742655 [0,2,0,0,0,0|0,0,1]=3 3780 B13R0.87 CCCC(C)CCCOCC(=O)OC 34a_100011713154_100000747449 [0,2,0,0,0,0|0,0,2]=4 3781 B13R0.87 CCCC(C)CCCOCC(=O)OC 7a_100011713154_100000747449 [0,2,0,0,0,0|0,0,2]=4 3782 B13R0.87 CCCC(C)CCOCCC(=O)OC 34a_100011217855_100000742370 [0,2,0,0,0,0|0,0,2]=4 3783 B13R0.87 CCCC(C)CCOCCC(=O)OC 7a_100011217855_100000204255 [0,2,0,0,0,0|0,0,2]=4 3784 B13R0.87 CCCC(C)COC/C=C/C(=O)OC 34a_100000688023_100000742655 [0,2,0,0,0,0|0,0,0]=2 3785 B13R0.87 CCCC(C)COC/C=C/C(=O)OC 7a_100000688023_100000742655 [0,2,0,0,0,0|0,0,0]=2 3786 B13R0.87 CCCC(C)COCCCC(=O)OC 34a_100000688023_100000742333 [0,2,0,0,0,0|0,0,2]=4 3787 B13R0.87 CCCC(C)COCCCC(=O)OC 7a_100000688023_100011218270 [0,2,0,0,0,0|0,0,2]=4 3788 B13R0.87 CCCC(C)COCCNC(=O)OC 34a_100000757965_100011216630 [0,2,0,0,0,0|1,0,1]=4 3789 B13R0.87 CCCC(C)COCCOC(=O)OC 34a_100010262106_100011216630 [0,2,0,0,0,0|1,0,1]=4 3790 B13R0.87 CCCC(C)CSC/C=C/C(=O)OC 62a_100000742655_100011216630 [0,2,0,0,0,0|0,0,0]=2 3791 B13R0.87 CCCC(C)CSC/C=C/C(=O)OC 62a_100011216630_100000742655 [0,2,0,0,0,0|0,0,0]=2 3792 B13R0.87 CCCC(C)CSCCCC(=O)OC 62a_100011216630_100011218270 [0,2,0,0,0,0|0,0,2]=4 3793 B13R0.87 CCCC(C)CSCCCC(=O)OC 62a_100011218270_100011216630 [0,2,0,0,0,0|0,0,2]=4 3794 B13R0.87 CCCC(C)NCCCCC(=O)OC 2230a_100000741246_100000204269 [0,2,0,0,0,0|0,0,2]=4 3795 B13R0.87 CCCC(C)NCCOCC(=O)OC 2230a_100000741246_100000090808 [0,2,0,0,0,0|1,0,1]=4 3796 B13R0.87 CCCC(C)OCCCCC(=O)OC 34a_100000059025_100000766640 [0,2,0,0,0,0|0,0,2]=4 3797 B13R0.87 CCCC(C)OCCCCC(=O)OC 34a_100000764384_100000204269 [0,2,0,0,0,0|0,0,2]=4 3798 B13R0.87 CCCC(C)OCCCCC(=O)OC 7a_100000059025_100000766640 [0,2,0,0,0,0|0,0,2]=4 3799 B13R0.87 CCCC(C)OCCCCC(=O)OC 7a_100000764384_100000204269 [0,2,0,0,0,0|0,0,2]=4 3800 B13R0.87 CCCC(C)OCCOCC(=O)OC 34a_100000764384_100000090808 [0,2,0,0,0,0|1,0,1]=4 3801 B13R0.87 CCCC(C)OCCOCC(=O)OC 7a_100000764384_100000090808 [0,2,0,0,0,0|1,0,1]=4 3802 B13R0.87 CCCC(C)SCCCCC(=O)OC 62a_100000204269_100000766640 [0,2,0,0,0,0|0,0,2]=4 3803 B13R0.87 CCCC(C)SCCCCC(=O)OC 62a_100000766640_100000204269 [0,2,0,0,0,0|0,0,2]=4 3804 B13R0.87 CCCC(C)SCCOCC(=O)OC 62a_100000090808_100000766640 [0,2,0,0,0,0|1,0,1]=4 3805 B13R0.87 CCCC(C)SCCOCC(=O)OC 62a_100000766640_100000090808 [0,2,0,0,0,0|1,0,1]=4 3806 B13R0.87 CCCN(C)CCCCCC(=O)OC 2230a_100000747261_100009816466 [0,2,0,0,0,0|0,0,2]=4 3807 B13R0.87 CCCN(C)CCCCCC(=O)OC 269982a_100000747261_100009816466 [0,2,0,0,0,0|0,0,2]=4 3808 B13R0.87 CCC[C@H](N)CCOCCC(=O)OC 34a_100015193777_100000742370 [0,2,0,0,0,0|0,0,2]=4 3809 B13R0.87 CCC[C@H](N)COC/C=C/C(=O)OC 34a_100000732646_100000742655 [0,2,0,0,0,0|0,0,0]=2 3810 B13R0.87 CCC[C@H](N)COCCCC(=O)OC 34a_100000732646_100000742333 [0,2,0,0,0,0|0,0,2]=4 3811 B13R0.87 CCNC(=O)CNC/C=C/C(=O)OC 2230a_100016988866_100000742655 [0,2,0,0,0,0|1,0,1]=4 3812 B13R0.87 CCNC(=O)CSC/C=C/C(=O)OC 62a_100000183381_100000742655 [0,2,0,0,0,0|1,0,1]=4 3813 B13R0.87 CCNC(=O)CSC/C=C/C(=O)OC 62a_100000742655_100000183381 [0,2,0,0,0,0|1,0,1]=4 3814 B13R0.87 CCOC(=O)/C=C/CNCC(C)CC 2230a_100020588543_100016267167 [0,2,0,0,0,0|1,0,0]=3 3815 B13R0.87 CCOC(=O)/C=C/CNCC(C)CO 34a_100000744482_100016267167 [0,2,0,0,0,0|2,0,0]=4 3816 B13R0.87 CCOC(=O)/C=C/CNCC(O)CC 2230a_100011218483_100016267167 [0,2,0,0,0,0|1,0,0]=3 3817 B13R0.87 CCOC(=O)/C=C/CNC[C@@H](C)OC 2230a_100020591295_100016267167 [0,2,0,0,0,0|2,0,0]=4 3818 B13R0.87 CCOC(=O)/C=C/CNC[C@@H](F)CO 34a_100015665980_100016267167 [0,2,0,0,0,0|2,0,0]=4 3819 B13R0.87 CCOC(=O)/C=C/CNC[C@H](O)CO 2230a_100020644852_100016267167 [0,2,0,0,0,0|2,0,0]=4 3820 B13R0.87 CCOC(=O)/C=C/COCC(=O)CC 34a_100000725409_100016267167 [0,2,0,0,0,0|1,0,1]=4 3821 B13R0.87 CCOC(=O)/C=C/COCC(C)CN 34a_100000744482_100016267167 [0,2,0,0,0,0|2,0,0]=4 3822 B13R0.87 CCOC(=O)/C=C/COCC(C)OC 34a_100000690652_100016267167 [0,2,0,0,0,0|2,0,0]=4 3823 B13R0.87 CCOC(=O)/C=C/COCC(Cl)CCl 34a_100000033668_100016267167 [0,2,0,0,0,0|2,0,0]=4 3824 B13R0.87 CCOC(=O)/C=C/COC[C@@H](C)CC 7a_100009816381_100016267167 [0,2,0,0,0,0|1,0,0]=3 3825 B13R0.87 CCOC(=O)/C=C/COC[C@H](F)CN 34a_100015665980_100016267167 [0,2,0,0,0,0|2,0,0]=4 3826 B13R0.87 CCOC(=O)/C=C/CSCC(=O)CC 62a_100000747405_100016267167 [0,2,0,0,0,0|1,0,1]=4 3827 B13R0.87 CCOC(=O)/C=C/CSCC(=O)CC 62a_100016267167_100000747405 [0,2,0,0,0,0|1,0,1]=4 3828 B13R0.87 CCOC(=O)/C=C/CSCC(C)CC 62a_100000748023_100016267167 [0,2,0,0,0,0|1,0,0]=3 3829 B13R0.87 CCOC(=O)/C=C/CSCC(C)CC 62a_100016267167_100000748023 [0,2,0,0,0,0|1,0,0]=3 3830 B13R0.87 CCOC(=O)/C=C/CSCC(O)CC 62a_100011218378_100016267167 [0,2,0,0,0,0|1,0,0]=3 3831 B13R0.87 CCOC(=O)/C=C/CSCC(O)CC 62a_100016267167_100011218378 [0,2,0,0,0,0|1,0,0]=3 3832 B13R0.87 CCOC(=O)/C=C/CSCC(O)CO 62a_100011219619_100016267167 [0,2,0,0,0,0|2,0,0]=4 3833 B13R0.87 CCOC(=O)/C=C/CSCC(O)CO 62a_100016267167_100011219619 [0,2,0,0,0,0|2,0,0]=4 3834 B13R0.87 CCOC(=O)/C=C/CSC[C@@H](C)CC 62a_100009816398_100016267167 [0,2,0,0,0,0|1,0,0]=3 3835 B13R0.87 CCOC(=O)/C=C/CSC[C@@H](C)CC 62a_100016267167_100009816398 [0,2,0,0,0,0|1,0,0]=3 3836 B13R0.87 CCOC(=O)/C=C/CSC[C@@H](C)CO 62a_100000059175_100016267167 [0,2,0,0,0,0|2,0,0]=4 3837 B13R0.87 CCOC(=O)/C=C/CSC[C@@H](C)CO 62a_100016267167_100000059175 [0,2,0,0,0,0|2,0,0]=4 3838 B13R0.87 CCOC(=O)/C=C/CSC[C@@H](O)CF 62a_100015614560_100016267167 [0,2,0,0,0,0|2,0,0]=4 3839 B13R0.87 CCOC(=O)/C=C/CSC[C@@H](O)CF 62a_100016267167_100015614560 [0,2,0,0,0,0|2,0,0]=4 3840 B13R0.87 CCOC(=O)/C=C/CSC[C@@H](O)CO 62a_100009815848_100016267167 [0,2,0,0,0,0|2,0,0]=4 3841 B13R0.87 CCOC(=O)/C=C/CSC[C@@H](O)CO 62a_100016267167_100009815848 [0,2,0,0,0,0|2,0,0]=4 3842 B13R0.87 CCOC(=O)COCCCC(C)CC 7a_100011216074_100000188475 [0,2,0,0,0,0|1,0,1]=4 3843 B13R0.87 CCOC(=O)CSC/C=C/C(=O)OC 62a_100000188475_100000742655 [0,2,0,0,0,0|1,0,1]=4 3844 B13R0.87 CCOC(=O)CSC/C=C/C(=O)OC 62a_100000742655_100000188475 [0,2,0,0,0,0|1,0,1]=4 3845 B13R0.87 COC(=O)/C=C/COCC(C)CCN 34a_106354213184_100000742655 [0,2,0,0,0,0|1,0,0]=3 3846 B13R0.87 COC(=O)/C=C/CSC[C@@H](O)CC#N 62a_100000001066_100000742655 [0,2,0,0,0,0|1,0,1]=4 3847 B13R0.87 COC(=O)/C=C/CSC[C@@H](O)CC#N 62a_100000742655_100000001066 [0,2,0,0,0,0|1,0,1]=4 3848 B13R0.87 COCC(N)COC/C=C/C(=O)OC 34a_100000724102_100000742655 [0,2,0,0,0,0|1,0,0]=3 3849 B13R0.87 COCC(O)CNC/C=C/C(=O)OC 2230a_100000756049_100000742655 [0,2,0,0,0,0|1,0,0]=3 3850 B13R0.87 COCC(O)CNC/C=C/C(=O)OC 34a_100000756049_100000742655 [0,2,0,0,0,0|1,0,0]=3 3851 B13R0.87 COCC(O)CSC/C=C/C(=O)OC 62a_100000742655_100011215053 [0,2,0,0,0,0|1,0,0]=3 3852 B13R0.87 COCC(O)CSC/C=C/C(=O)OC 62a_100011215053_100000742655 [0,2,0,0,0,0|1,0,0]=3 3853 B13R0.88 C=C(C)CCOC/C=C/C(=O)OCC 34a_100000764851_100016267167 [0,2,0,0,0,0|1,0,1]=4 3854 B13R0.88 C=C(C)CCSC/C=C/C(=O)OCC 62a_100000730704_100016267167 [0,2,0,0,0,0|1,0,1]=4 3855 B13R0.88 C=C(C)CCSC/C=C/C(=O)OCC 62a_100016267167_100000730704 [0,2,0,0,0,0|1,0,1]=4 3856 B13R0.88 CCOC(=O)/C=C/CNCCC(C)O 2230a_200000755665_100016267167 [0,2,0,0,0,0|1,0,0]=3 3857 B13R0.88 CCOC(=O)/C=C/COCCC(=O)C 34a_100000759926_100016267167 [0,2,0,0,0,0|1,0,1]=4 3858 B13R0.88 CCOC(=O)/C=C/COCCC(=O)C 7a_100000759926_100016267167 [0,2,0,0,0,0|1,0,1]=4 3859 B13R0.88 CCOC(=O)/C=C/COCCC(C)Br 34a_100009893172_100016267167 [0,2,0,0,0,0|1,0,0]=3 3860 B13R0.88 CCOC(=O)/C=C/COCCC(C)C 34a_100000210254_100016267167 [0,2,0,0,0,0|1,0,0]=3 3861 B13R0.88 CCOC(=O)/C=C/COCCC(C)C 7a_100000210254_100016267167 [0,2,0,0,0,0|1,0,0]=3 3862 B13R0.88 CCOC(=O)/C=C/COCCC(F)F 34a_100103093639_100016267167 [0,2,0,0,0,0|2,0,0]=4 3863 B13R0.88 CCOC(=O)/C=C/COCC[C@@H](C)N 34a_100000706166_100016267167 [0,2,0,0,0,0|1,0,0]=3 3864 B13R0.88 CCOC(=O)/C=C/CSCCC(=O)C 62a_100000053229_100016267167 [0,2,0,0,0,0|1,0,1]=4 3865 B13R0.88 CCOC(=O)/C=C/CSCCC(=O)C 62a_100016267167_100000053229 [0,2,0,0,0,0|1,0,1]=4 3866 B13R0.88 CCOC(=O)/C=C/CSCCC(C)C 62a_100000210312_100016267167 [0,2,0,0,0,0|1,0,0]=3 3867 B13R0.88 CCOC(=O)/C=C/CSCCC(C)C 62a_100016267167_100000210312 [0,2,0,0,0,0|1,0,0]=3 3868 B13R0.88 CCOC(=O)/C=C/CSCCC(C)O 62a_100012276601_100016267167 [0,2,0,0,0,0|1,0,0]=3 3869 B13R0.88 CCOC(=O)/C=C/CSCCC(C)O 62a_100016267167_100012276601 [0,2,0,0,0,0|1,0,0]=3 3870 B13R0.88 CCOC(=O)/C=C/CSCCN(C)C 62a_100016267167_100000755713 [0,2,0,0,0,0|2,0,0]=4 3871 B13R0.88 CCOC(=O)/C=C/CSCOC(C)C 62a_100000709892_100016267167 [0,2,0,0,0,0|2,0,0]=4 3872 B13R0.88 CCOC(=O)/C=C/CSCOC(C)C 62a_100016267167_100000709892 [0,2,0,0,0,0|2,0,0]=4 3873 B13R0.88 CCOC(=O)COCCCCC(C)C 34a_100011214890_100000188475 [0,2,0,0,0,0|1,0,1]=4 3874 B13R0.88 CCOC(=O)COCCCCC(C)C 7a_100011214890_100000188475 [0,2,0,0,0,0|1,0,1]=4 3875 B13R0.88 CCOC(=O)CSCCCCC(C)C 62a_100000188475_100011216152 [0,2,0,0,0,0|1,0,1]=4 3876 B13R0.88 CCOC(=O)CSCCCCC(C)C 62a_100011216152_100000188475 [0,2,0,0,0,0|1,0,1]=4 3877 B13R0.88 COCC(=O)NCCCCCC(C)C 1626a_100011290863_100000210968 [0,2,0,0,0,0|1,0,1]=4 3878 B13R0.88 COCC(=O)NCCCCCC(C)C 240690a_100011290863_100000210968 [0,2,0,0,0,0|1,0,1]=4 3879 B13R0.88 COCC(=O)NCCCCCC(C)C 527a_100011290863_100000210968 [0,2,0,0,0,0|1,0,1]=4 3880 B13R0.175 CCCCC(C)COCC(=O)OCC 34a_100011995851_100000188475 [0,2,0,0,0,0|1,0,1]=4 3881 B13R0.175 CCCCC(C)COCC(=O)OCC 7a_100011995851_100000188475 [0,2,0,0,0,0|1,0,1]=4 3882 B13R0.175 CCCCN(C)C/C=C/C(=O)OCC 2230a_100000207549_100016267167 [0,2,0,0,0,0|1,0,0]=3 3883 B13R0.175 CCCCN(C)C/C=C/C(=O)OCC 269982a_100000207549_100016267167 [0,2,0,0,0,0|1,0,0]=3 3884 B13R0.175 CCCC[C@H](N)COCC(=O)OCC 34a_100011934283_100000188475 [0,2,0,0,0,0|1,0,1]=4 3885 B13R0.175 CCOC(=O)/C=C/CN(C)CCCO 2230a_100000213112_100016267167 [0,2,0,0,0,0|2,0,0]=4 3886 B13R0.175 CCOC(=O)/C=C/CN(C)CCCO 269982a_100000213112_100016267167 [0,2,0,0,0,0|2,0,0]=4 3887 B13R0.175 CCOC(=O)/C=C/CN(C)CCOC 2230a_100000743101_100016267167 [0,2,0,0,0,0|2,0,0]=4 3888 B13R0.175 CCOC(=O)/C=C/CN(C)CCOC 269982a_100000743101_100016267167 [0,2,0,0,0,0|2,0,0]=4 3889 B13R0.175 CCOC(=O)/C=C/CN(C)CCSC 2230a_100000686725_100016267167 [0,2,0,0,0,0|2,0,0]=4 3890 B13R0.175 CCOC(=O)/C=C/CN(C)CCSC 269982a_100000686725_100016267167 [0,2,0,0,0,0|2,0,0]=4 3891 B13R0.193 CCCCCC(=O)C=CC(=O)OCC 1458a_100000210415_100000210326 [0,2,0,0,0,0|0,0,1]=3 3892 B13R0.193 CCCCCC(C)NCC(=O)OCC 2230a_100000211957_100000188475 [0,2,0,0,0,0|1,0,1]=4 3893 B13R0.193 CCCCCC(C)OCC(=O)OCC 34a_100011215632_100000188475 [0,2,0,0,0,0|1,0,1]=4 3894 B13R0.193 CCCCCC(C)OCC(=O)OCC 7a_100011215632_100000188475 [0,2,0,0,0,0|1,0,1]=4 3895 B13R0.193 CCCCCC(C)SCC(=O)OCC 62a_100000188475_200011218191 [0,2,0,0,0,0|1,0,1]=4 3896 B13R0.193 CCCCCC(C)SCC(=O)OCC 62a_200011218191_100000188475 [0,2,0,0,0,0|1,0,1]=4 3897 B13R0.193 CCCCNC(=O)C=CC(=O)OCC 1626a_100000102301_100000210415 [0,2,0,0,0,0|1,0,1]=4 3898 B13R0.193 CCCCNC(=O)C=CC(=O)OCC 240690a_100000102301_100000210415 [0,2,0,0,0,0|1,0,1]=4 3899 B13R0.193 CCOC(=O)C=CC(=O)CCCCF 1458a_100000210415_100000729493 [0,2,0,0,0,0|1,0,1]=4 3900 B13R0.193 CCOC(=O)C=CC(=O)CCCCO 1458a_100000210415_100000210776 [0,2,0,0,0,0|1,0,1]=4 3901 B13R0.193 CCOC(=O)C=CC(=O)CCCOC 1458a_100000210415_100000740836 [0,2,0,0,0,0|1,0,1]=4 3902 B13R0.193 CCOC(=O)C=CC(=O)CCSCC 1458a_100000210415_100000757381 [0,2,0,0,0,0|1,0,1]=4 3903 B13R0.193 CCOCCC(=O)C=CC(=O)OCC 1458a_100000210415_100011215890 [0,2,0,0,0,0|1,0,1]=4 3904 B13R0.275 C=C(COCCCCC)C(=O)OCC 34a_100000210253_100000755967 [0,2,0,0,0,0|1,0,1]=4 3905 B13R0.275 C=C(COCCCCC)C(=O)OCC 7a_100000210253_100000755967 [0,2,0,0,0,0|1,0,1]=4 3906 B13R0.275 C=C(CSCCCCC)C(=O)OCC 62a_100000210326_100000755967 [0,2,0,0,0,0|1,0,1]=4 3907 B13R0.275 C=C(CSCCCCC)C(=O)OCC 62a_100000755967_100000210326 [0,2,0,0,0,0|1,0,1]=4 3908 B13R0.275 CCCCCCCC(=O)/C(=N/OC)/C 1458a_100160996864_100000210614 [0,2,0,0,0,0|1,0,1]=4 3909 B13R0.275 CCCCCCCC(=O)C(=O)NCC 1458a_200011297158_100000210614 [0,2,0,0,0,0|1,0,1]=4 3910 B13R0.275 CCCCCCCC(C)C(=O)COC 1458a_100000210968_200011218727 [0,2,0,0,0,0|0,0,2]=4 3911 B13R0.275 CCCCCCCN(C)C(=O)COC 11a_100000228206_100000210968 [0,2,0,0,0,0|1,0,1]=4 3912 B13R0.275 CCCCCCCN(C)C(=O)COC 1626a_100000228206_100000210968 [0,2,0,0,0,0|1,0,1]=4 3913 B13R0.275 CCCCCCCN(C)C(=O)COC 240690a_100000228206_100000210968 [0,2,0,0,0,0|1,0,1]=4 3914 B13R0.275 CCCCCCCN(C)C(=O)COC 527a_100000228206_100000210968 [0,2,0,0,0,0|1,0,1]=4 3915 B13R0.275 CCCCCCNC(=O)/C(=N/OC)/C 11a_100000210581_100160996864 [0,2,0,0,0,0|2,0,0]=4 3916 B13R0.275 CCCCCCNC(=O)/C(=N/OC)/C 240690a_100000210581_100160996864 [0,2,0,0,0,0|2,0,0]=4 3917 B13R0.275 CCCCCCNC(=O)C(=O)NCC 1626a_100000210581_200011297158 [0,2,0,0,0,0|2,0,0]=4 3918 B13R0.275 CCCCCCNC(=O)C(=O)NCC 240690a_100000210581_200011297158 [0,2,0,0,0,0|2,0,0]=4 3919 B13R0.275 CCCCCCNC(=O)C(=O)NCC 527a_100000210581_200011297158 [0,2,0,0,0,0|2,0,0]=4 3920 B13R0.275 CCCCCCNC(=O)C(=O)OCC 11a_100000210581_100014798877 [0,2,0,0,0,0|1,0,0]=3 3921 B13R0.275 CCCCCCNC(=O)C(=O)OCC 1626a_100000210581_100014798877 [0,2,0,0,0,0|1,0,0]=3 3922 B13R0.275 CCCCCCNC(=O)C(=O)OCC 240690a_100000210581_100014798877 [0,2,0,0,0,0|1,0,0]=3 3923 B13R0.275 CCCCCCNC(C)C(=O)OCC 2230a_100000210581_100011215307 [0,2,0,0,0,0|1,0,1]=4 3924 B13R0.275 CCCCCCNC(F)C(=O)OCC 2230a_100000210581_100000760018 [0,2,0,0,0,0|1,0,1]=4 3925 B13R0.275 CCCCCCOC(C)C(=O)OCC 34a_100000210259_100011216346 [0,2,0,0,0,0|1,0,1]=4 3926 B13R0.275 CCCCCCOC(C)C(=O)OCC 7a_100000210259_100011216346 [0,2,0,0,0,0|1,0,1]=4 3927 B13R0.275 CCCCCCOC(F)C(=O)OCC 34a_100000210259_100000760018 [0,2,0,0,0,0|1,0,1]=4 3928 B13R0.275 CCCCCCOC(F)C(=O)OCC 7a_100000210259_100000040065 [0,2,0,0,0,0|1,0,1]=4 3929 B13R0.275 CCCCCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000210314 [0,2,0,0,0,0|1,0,1]=4 3930 B13R0.275 CCCCCCSC(C)C(=O)OCC 62a_100000210314_100011216346 [0,2,0,0,0,0|1,0,1]=4 3931 B13R0.275 CCCCCCSC(C)C(=O)OCC 62a_100011216346_100000210757 [0,2,0,0,0,0|1,0,1]=4 3932 B13R0.275 CCCCCCSC(F)C(=O)OCC 62a_100000210314_100000760018 [0,2,0,0,0,0|1,0,1]=4 3933 B13R0.275 CCCCCCSC(F)C(=O)OCC 62a_100000760018_100000210757 [0,2,0,0,0,0|1,0,1]=4 3934 B13R0.275 CCCCCNN=C(C)C(=O)OCC 4a_100000694160_100000209952 [0,2,0,0,0,0|2,0,0]=4 3935 B13R0.275 CCCCCSCC(=O)C(=O)OCC 62a_100000210326_100000211299 [0,2,0,0,0,0|1,0,1]=4 3936 B13R0.275 CCCCCSCC(=O)C(=O)OCC 62a_100000211299_100000210326 [0,2,0,0,0,0|1,0,1]=4 3937 B13R0.275 CCCOCCNC(=O)C(=O)OCC 1626a_100161115042_100014798877 [0,2,0,0,0,0|2,0,0]=4 3938 B13R0.275 CCCOCCNC(=O)C(=O)OCC 240690a_100161115042_100014798877 [0,2,0,0,0,0|2,0,0]=4 3939 B13R0.275 CCCSCCNC(=O)C(=O)OCC 11a_100020603323_100014798877 [0,2,0,0,0,0|2,0,0]=4 3940 B13R0.275 CCCSCCNC(=O)C(=O)OCC 240690a_100020603323_100014798877 [0,2,0,0,0,0|2,0,0]=4 3941 B13R0.275 CCOC(=O)C(=O)CCCCCNC 2230a_106832991635_100000068741 [0,2,0,0,0,0|1,0,1]=4 3942 B13R0.275 CCOC(=O)C(=O)CCCCCSC 62a_200000210301_100000068741 [0,2,0,0,0,0|1,0,1]=4 3943 B13R0.275 CCOC(=O)C(=O)CCCCCS[13CH3] 62a_200025704644_100000068741 [0,2,0,0,0,0|1,0,1]=4 3944 B13R0.275 CCOC(=O)C(=O)NCCCCCO 240690a_100000762737_100014798877 [0,2,0,0,0,0|2,0,0]=4 3945 B13R0.275 CCOCCCNC(=O)C(=O)OCC 11a_100000210961_100014798877 [0,2,0,0,0,0|2,0,0]=4 3946 B13R0.275 CCOCCCNC(=O)C(=O)OCC 1626a_100000210961_100014798877 [0,2,0,0,0,0|2,0,0]=4 3947 B13R0.275 CCOCCCNC(=O)C(=O)OCC 240690a_100000210961_100014798877 [0,2,0,0,0,0|2,0,0]=4 3948 B13R0.330 C=COC(=O)CC(=O)CCCCCC 1458a_100102632555_100000036128 [0,2,0,0,0,0|0,0,2]=4 3949 B13R0.330 CCCCCCC(=O)C=C(C)CCC 1458a_100020676950_100000210757 [0,2,0,0,0,0|2,0,0]=4 3950 B13R0.330 CCCCCCC(=O)CC(=O)CCC 1458a_100102632555_100000747444 [0,2,0,0,0,0|1,0,1]=4 3951 B13R0.330 CCCCCCC(=O)CC(=O)NCC 1458a_100102632555_100000183381 [0,2,0,0,0,0|1,0,1]=4 3952 B13R0.330 CCCCCCC(=O)CC(=O)NCO 1458a_100102632555_100000185155 [0,2,0,0,0,0|1,0,1]=4 3953 B13R0.330 CCCCCCC(=O)CC(=O)OCC 1458a_100000243816_100000210757 [0,2,0,0,0,0|0,0,1]=3 3954 B13R0.330 CCCCCCC(=O)CC(=O)OCC 1458a_100102632555_100000188475 [0,2,0,0,0,0|0,0,1]=3 3955 B13R0.330 CCCCCCC(C)NC(=O)COC 11a_100000210919_100000210968 [0,2,0,0,0,0|1,0,1]=4 3956 B13R0.330 CCCCCCC(C)NC(=O)COC 1626a_100000210919_100000210968 [0,2,0,0,0,0|1,0,1]=4 3957 B13R0.330 CCCCCCC(C)NC(=O)COC 240690a_100000210919_100000210968 [0,2,0,0,0,0|1,0,1]=4 3958 B13R0.330 CCCCCCC(C)NC(=O)COC 34a_100138415774_100000230341 [0,2,0,0,0,0|1,0,1]=4 3959 B13R0.330 CCCCCCC(C)NC(=O)COC 527a_100000210919_100000210968 [0,2,0,0,0,0|1,0,1]=4 3960 B13R0.330 CCCCCCN(C)CC(=O)OCC 2230a_100000220588_100000210314 [0,2,0,0,0,0|1,0,1]=4 3961 B13R0.330 CCCCCCN(C)CC(=O)OCC 2230a_106256046315_100000188475 [0,2,0,0,0,0|1,0,1]=4 3962 B13R0.330 CCCCCCN(C)CC(=O)OCC 269982a_106256046315_100000188475 [0,2,0,0,0,0|1,0,1]=4 3963 B13R0.330 CCCCCNC(=O)CC(=O)COC 1458a_100000210968_100000230301 [0,2,0,0,0,0|1,0,1]=4 3964 B13R0.330 CCCCCNC(=O)CC(=O)OCC 240690a_100000209983_100000243816 [0,2,0,0,0,0|1,0,1]=4 3965 B13R0.330 CCCCNCC(=CC(=O)OCC)C 2230a_100000102301_100135422193 [0,2,0,0,0,0|1,0,0]=3 3966 B13R0.330 CCCCNCC(=CC(=O)OCC)C 7a_106832991798_100135422193 [0,2,0,0,0,0|1,0,0]=3 3967 B13R0.330 CCCCNCC(=O)NC(=O)OCC 7a_106832991798_100000010344 [0,2,0,0,0,0|2,0,0]=4 3968 B13R0.330 CCCCOCC(=CC(=O)OCC)C 34a_100000210227_100135422193 [0,2,0,0,0,0|1,0,0]=3 3969 B13R0.330 CCCCOCC(=CC(=O)OCC)C 7a_100000210227_100135422193 [0,2,0,0,0,0|1,0,0]=3 3970 B13R0.330 CCCCOCC(=O)CC(=O)OCC 1458a_100000243816_100011995733 [0,2,0,0,0,0|1,0,1]=4 3971 B13R0.330 CCCCOCC(=O)CC(=O)OCC 1458a_100000757543_100000188475 [0,2,0,0,0,0|1,0,1]=4 3972 B13R0.330 CCCCOCC(=O)NC(=O)OCC 7a_100000210227_100000010344 [0,2,0,0,0,0|2,0,0]=4 3973 B13R0.330 CCCCSCC(=CC(=O)OCC)C 62a_100000210211_100135422193 [0,2,0,0,0,0|1,0,0]=3 3974 B13R0.330 CCCCSCC(=CC(=O)OCC)C 62a_100135422193_100000210210 [0,2,0,0,0,0|1,0,0]=3 3975 B13R0.330 CCCCSCC(=O)CC(=O)OCC 1458a_100000191162_100000188475 [0,2,0,0,0,0|1,0,1]=4 3976 B13R0.330 CCCCSCC(=O)CC(=O)OCC 62a_100000210211_100000210311 [0,2,0,0,0,0|1,0,1]=4 3977 B13R0.330 CCCCSCC(=O)CC(=O)OCC 62a_100000210311_100000210210 [0,2,0,0,0,0|1,0,1]=4 3978 B13R0.330 CCCCSCC(=O)NC(=O)OCC 62a_100000210211_100000010344 [0,2,0,0,0,0|2,0,0]=4 3979 B13R0.330 CCCOCCC(=O)CC(=O)OCC 1458a_100000243816_100011215938 [0,2,0,0,0,0|1,0,1]=4 3980 B13R0.330 CCOC(=O)C=C(C)CNCCCF 2230a_100015189416_100135422193 [0,2,0,0,0,0|2,0,0]=4 3981 B13R0.330 CCOC(=O)C=C(C)CNCCCF 34a_100015189416_100135422193 [0,2,0,0,0,0|2,0,0]=4 3982 B13R0.330 CCOC(=O)C=C(C)CNCCOC 2230a_100000209980_100135422193 [0,2,0,0,0,0|2,0,0]=4 3983 B13R0.330 CCOC(=O)C=C(C)CNCCSC 2230a_100020590264_100135422193 [0,2,0,0,0,0|2,0,0]=4 3984 B13R0.330 CCOC(=O)C=C(C)COCCCBr 34a_100011217188_100135422193 [0,2,0,0,0,0|2,0,0]=4 3985 B13R0.330 CCOC(=O)C=C(C)COCCCCl 34a_100000230001_100135422193 [0,2,0,0,0,0|2,0,0]=4 3986 B13R0.330 CCOC(=O)C=C(C)COCCCF 34a_100000759539_100135422193 [0,2,0,0,0,0|2,0,0]=4 3987 B13R0.330 CCOC(=O)C=C(C)COCCCN 34a_100000182051_100135422193 [0,2,0,0,0,0|2,0,0]=4 3988 B13R0.330 CCOC(=O)C=C(C)COCCOC 34a_100000210237_100135422193 [0,2,0,0,0,0|2,0,0]=4 3989 B13R0.330 CCOC(=O)C=C(C)COCCSC 34a_100000230434_100135422193 [0,2,0,0,0,0|2,0,0]=4 3990 B13R0.330 CCOC(=O)C=C(C)COCCSC 7a_100000230434_100135422193 [0,2,0,0,0,0|2,0,0]=4 3991 B13R0.330 CCOC(=O)C=C(C)CSCCCF 62a_100011934791_100135422193 [0,2,0,0,0,0|2,0,0]=4 3992 B13R0.330 CCOC(=O)C=C(C)CSCCCF 62a_100135422193_100011934791 [0,2,0,0,0,0|2,0,0]=4 3993 B13R0.330 CCOC(=O)C=C(C)CSCCCO 62a_100011215043_100135422193 [0,2,0,0,0,0|2,0,0]=4 3994 B13R0.330 CCOC(=O)C=C(C)CSCCCO 62a_100135422193_100011215043 [0,2,0,0,0,0|2,0,0]=4 3995 B13R0.330 CCOC(=O)C=C(C)CSCCOC 62a_100000233755_100135422193 [0,2,0,0,0,0|2,0,0]=4 3996 B13R0.330 CCOC(=O)C=C(C)CSCCOC 62a_100135422193_100000233755 [0,2,0,0,0,0|2,0,0]=4 3997 B13R0.330 CCOC(=O)C=C(C)CSCCSC 62a_100000212216_100135422193 [0,2,0,0,0,0|2,0,0]=4 3998 B13R0.330 CCOC(=O)C=C(C)CSCCSC 62a_100135422193_100000751147 [0,2,0,0,0,0|2,0,0]=4 3999 B13R0.330 CCOC(=O)CC(=O)CCCCCF 1458a_100000243816_100000729378 [0,2,0,0,0,0|1,0,1]=4 4000 B13R0.330 CCOC(=O)CC(=O)CCCCCO 1458a_100000243816_100000746330 [0,2,0,0,0,0|1,0,1]=4 4001 B13R0.330 CCOC(=O)CC(=O)CCCCCO 1458a_100102619762_100000188475 [0,2,0,0,0,0|1,0,1]=4 4002 B13R0.330 CCOC(=O)CC(=O)CCCCOC 1458a_100000243816_100000755781 [0,2,0,0,0,0|1,0,1]=4 4003 B13R0.330 CCOCCCC(=O)CC(=O)OCC 1458a_100000243816_100012232248 [0,2,0,0,0,0|1,0,1]=4 4004 B13R0.330 CCOCSCC(=CC(=O)OCC)C 62a_100000739092_100135422193 [0,2,0,0,0,0|2,0,0]=4 4005 B13R0.330 CCOCSCC(=CC(=O)OCC)C 62a_100135422193_100000739092 [0,2,0,0,0,0|2,0,0]=4 4006 B13R0.335 C=C(C)CC(=O)C=CCCCCCC 1458a_200015324643_100000748629 [0,2,0,0,0,0|1,0,0]=3 4007 B13R0.335 C=C(F)CC(=O)C=CCCCCCC 1458a_200015324643_100009893438 [0,2,0,0,0,0|1,0,1]=4 4008 B13R0.335 CCCCCCC=CC(=O)CC(=O)N 1458a_200015324643_100000187820 [0,2,0,0,0,0|1,0,1]=4 4009 B13R0.335 CCCCCCC=CC(=O)CC(=O)[O-] 1458a_200015324643_100020667443 [0,2,0,0,0,0|1,0,1]=4 4010 B13R0.335 CCCCCCC=CC(=O)CC(C)C 1458a_200015324643_100000210624 [0,2,0,0,0,0|1,0,0]=3 4011 B13R0.335 CCCCCCC=CC(=O)CC(C)O 1458a_200015324643_100011218427 [0,2,0,0,0,0|1,0,0]=3 4012 B13R0.335 CCCCCCC=CC(=O)CC(F)F 1458a_200015324643_100011934356 [0,2,0,0,0,0|1,0,0]=3 4013 B13R0.335 CCCCCCC=CC(=O)C[N+](=O)[O-] 1458a_200015324643_100000761209 [0,2,0,0,0,0|2,0,0]=4 4014 B13R0.335 CCCCCCC=CC(=O)NC(C)C 11a_100138425928_200015324643 [0,2,0,0,0,0|1,0,0]=3 4015 B13R0.335 CCCCCCC=CC(=O)NC(C)C 1626a_100138425928_200015324643 [0,2,0,0,0,0|1,0,0]=3 4016 B13R0.335 CCCCCCC=CC(=O)NC(C)C 240690a_100138425928_200015324643 [0,2,0,0,0,0|1,0,0]=3 4017 B13R0.335 CCCCCCNCC(=O)OC(C)C 2230a_100000210581_100011215430 [0,2,0,0,0,0|1,0,1]=4 4018 B13R0.335 CCCCCCOCC(=O)OC(C)C 34a_100000210259_100011215430 [0,2,0,0,0,0|1,0,1]=4 4019 B13R0.335 CCCCCCOCC(=O)OC(C)C 7a_100000210259_100011215430 [0,2,0,0,0,0|1,0,1]=4 4020 B13R0.335 CCCCCCSCC(=O)OC(C)C 62a_100000210314_100011215430 [0,2,0,0,0,0|1,0,1]=4 4021 B13R0.335 CCCCCCSCC(=O)OC(C)C 62a_100011215430_100000210757 [0,2,0,0,0,0|1,0,1]=4 4022 B13R0.340 C#CC(C)C(=O)C=CCCCCCC 1458a_200015324643_200000035995 [0,2,0,0,0,0|1,0,0]=3 4023 B13R0.340 C=C(CNCCCCCO)C(=O)OC 34a_100000762737_100009813391 [0,2,0,0,0,0|1,0,1]=4 4024 B13R0.340 C=C(CNCCCOCC)C(=O)OC 34a_100000210961_100009813391 [0,2,0,0,0,0|1,0,1]=4 4025 B13R0.340 C=C(CNCCOCCC)C(=O)OC 34a_100161115042_100009813391 [0,2,0,0,0,0|1,0,1]=4 4026 B13R0.340 C=C(COCCCCCBr)C(=O)OC 34a_100000746331_100009813391 [0,2,0,0,0,0|1,0,1]=4 4027 B13R0.340 C=C(COCCCCCC)C(=O)OC 34a_100000210259_100009813391 [0,2,0,0,0,0|0,0,1]=3 4028 B13R0.340 C=C(COCCCCCCl)C(=O)OC 34a_100000746330_100009813391 [0,2,0,0,0,0|1,0,1]=4 4029 B13R0.340 C=C(COCCCCCI)C(=O)OC 34a_200012148887_100009813391 [0,2,0,0,0,0|1,0,1]=4 4030 B13R0.340 C=C(COCCCCCN)C(=O)OC 34a_100000762737_100009813391 [0,2,0,0,0,0|1,0,1]=4 4031 B13R0.340 C=C(COCCCCOC)C(=O)OC 34a_100000740925_100009813391 [0,2,0,0,0,0|1,0,1]=4 4032 B13R0.340 C=C(COCCCCSC)C(=O)OC 34a_100011217163_100009813391 [0,2,0,0,0,0|1,0,1]=4 4033 B13R0.340 C=C(COCCCOCC)C(=O)OC 34a_100000757476_100009813391 [0,2,0,0,0,0|1,0,1]=4 4034 B13R0.340 C=C(COCCCSCC)C(=O)OC 34a_100011216438_100009813391 [0,2,0,0,0,0|1,0,1]=4 4035 B13R0.340 C=C(COCCOCCC)C(=O)OC 34a_100000752267_100009813391 [0,2,0,0,0,0|1,0,1]=4 4036 B13R0.340 C=C(COCCSCCC)C(=O)OC 34a_200000230433_100009813391 [0,2,0,0,0,0|1,0,1]=4 4037 B13R0.340 C=C(CSCCCCCC)C(=O)OC 62a_100000210314_100009813391 [0,2,0,0,0,0|0,0,1]=3 4038 B13R0.340 C=C(CSCCCCCC)C(=O)OC 62a_100009813391_100000210757 [0,2,0,0,0,0|0,0,1]=3 4039 B13R0.340 C=C(CSCCCCCF)C(=O)OC 62a_100000729378_100009813391 [0,2,0,0,0,0|1,0,1]=4 4040 B13R0.340 C=C(CSCCCCCF)C(=O)OC 62a_100009813391_100000729378 [0,2,0,0,0,0|1,0,1]=4 4041 B13R0.340 C=C(CSCCCCCO)C(=O)OC 62a_100000746330_100009813391 [0,2,0,0,0,0|1,0,1]=4 4042 B13R0.340 C=C(CSCCCCCO)C(=O)OC 62a_100009813391_100000746330 [0,2,0,0,0,0|1,0,1]=4 4043 B13R0.340 C=C(CSCCCCOC)C(=O)OC 62a_100000730899_100009813391 [0,2,0,0,0,0|1,0,1]=4 4044 B13R0.340 C=C(CSCCCCOC)C(=O)OC 62a_100009813391_100000730899 [0,2,0,0,0,0|1,0,1]=4 4045 B13R0.340 C=C(CSCCCOCC)C(=O)OC 62a_100009813391_100012232248 [0,2,0,0,0,0|1,0,1]=4 4046 B13R0.340 C=C(CSCCCOCC)C(=O)OC 62a_100012232248_100009813391 [0,2,0,0,0,0|1,0,1]=4 4047 B13R0.340 C=C(CSCCOCCC)C(=O)OC 62a_100009813391_100011215938 [0,2,0,0,0,0|1,0,1]=4 4048 B13R0.340 C=C(CSCCOCCC)C(=O)OC 62a_100011215938_100009813391 [0,2,0,0,0,0|1,0,1]=4 4049 B13R0.340 C=C(CSCOCCCC)C(=O)OC 62a_100009813391_100011995733 [0,2,0,0,0,0|1,0,1]=4 4050 B13R0.340 C=C(CSCOCCCC)C(=O)OC 62a_100011995733_100009813391 [0,2,0,0,0,0|1,0,1]=4 4051 B13R0.340 CCCCCCC=CC(=O)C(C)C#N 1458a_200015324643_100000703298 [0,2,0,0,0,0|1,0,0]=3 4052 B13R0.340 CCCCCCC=CC(=O)C(C)CC 1458a_200015324643_100000758301 [0,2,0,0,0,0|1,0,0]=3 4053 B13R0.340 CCCCCCC=CC(=O)N(C)CC 11a_100000225621_200015324643 [0,2,0,0,0,0|1,0,0]=3 4054 B13R0.340 CCCCCCC=CC(=O)N(C)CC 1626a_100000225621_200015324643 [0,2,0,0,0,0|1,0,0]=3 4055 B13R0.340 CCCCCCC=CC(=O)N(C)CC 240690a_100000225621_200015324643 [0,2,0,0,0,0|1,0,0]=3 4056 B13R0.340 CCCCCCCCC(=O)C(=O)NC 1458a_100011218921_100000210759 [0,2,0,0,0,0|1,0,1]=4 4057 B13R0.340 CCCCCCCCC(=O)C(C)OC 1458a_100000743197_100000210759 [0,2,0,0,0,0|0,0,2]=4 4058 B13R0.340 CCCCCCCNC(=O)C(=O)NC 1626a_100000229938_100011218921 [0,2,0,0,0,0|1,0,1]=4 4059 B13R0.340 CCCCCCCNC(=O)C(=O)NC 240690a_100000229938_100011218921 [0,2,0,0,0,0|1,0,1]=4 4060 B13R0.340 CCCCCCCNC(=O)C(=O)NC 527a_100000229938_100011218921 [0,2,0,0,0,0|1,0,1]=4 4061 B13R0.340 CCCCCCCNC(=O)C(=O)OC 11a_100000229938_100000024059 [0,2,0,0,0,0|0,0,1]=3 4062 B13R0.340 CCCCCCCNC(=O)C(=O)OC 1626a_100000229938_100000024059 [0,2,0,0,0,0|0,0,1]=3 4063 B13R0.340 CCCCCCCNC(=O)C(=O)OC 240690a_100000229938_100000024059 [0,2,0,0,0,0|0,0,1]=3 4064 B13R0.340 CCCCCCCNC(=O)C(=O)OC 527a_100000229938_100000024059 [0,2,0,0,0,0|0,0,1]=3 4065 B13R0.340 CCCCCCCNC(=O)C(C)OC 11a_100000229938_100000743197 [0,2,0,0,0,0|1,0,1]=4 4066 B13R0.340 CCCCCCCNC(=O)C(C)OC 1626a_100000229938_100000743197 [0,2,0,0,0,0|1,0,1]=4 4067 B13R0.340 CCCCCCCNC(=O)C(C)OC 240690a_100000229938_100000743197 [0,2,0,0,0,0|1,0,1]=4 4068 B13R0.340 CCCCCCCNC(=O)C(C)OC 527a_100000229938_100000743197 [0,2,0,0,0,0|1,0,1]=4 4069 B13R0.340 CCCCCCCNC(C)C(=O)OC 2230a_100000229938_100000211248 [0,2,0,0,0,0|0,0,2]=4 4070 B13R0.340 CCCCCCCOC(C)C(=O)OC 34a_100000210272_100000211248 [0,2,0,0,0,0|0,0,2]=4 4071 B13R0.340 CCCCCCCOC(C)C(=O)OC 34a_100011215400_100000210614 [0,2,0,0,0,0|0,0,2]=4 4072 B13R0.340 CCCCCCCOC(C)C(=O)OC 7a_100000210272_100000211248 [0,2,0,0,0,0|0,0,2]=4 4073 B13R0.340 CCCCCCCSC(C)C(=O)OC 62a_100000210614_100000211248 [0,2,0,0,0,0|0,0,2]=4 4074 B13R0.340 CCCCCCCSC(C)C(=O)OC 62a_100000211248_100000210316 [0,2,0,0,0,0|0,0,2]=4 4075 B13R0.340 CCCCCCNCC(=O)N(C)OC 2230a_100000210581_100000764215 [0,2,0,0,0,0|1,0,1]=4 4076 B13R0.340 CCCCCCNCC(=O)N(C)OC 2230a_100015207273_100000210314 [0,2,0,0,0,0|1,0,1]=4 4077 B13R0.340 CCCCCCOCC(=O)C(=O)OC 34a_100000210259_100011610305 [0,2,0,0,0,0|0,0,1]=3 4078 B13R0.340 CCCCCCOCC(=O)N(C)OC 7a_100000210259_100000764215 [0,2,0,0,0,0|1,0,1]=4 4079 B13R0.340 CCCCCCOCC(C)C(=O)OC 34a_100000210259_100000698445 [0,2,0,0,0,0|0,0,2]=4 4080 B13R0.340 CCCCCCOCC(C)C(=O)OC 34a_100000749362_100000210314 [0,2,0,0,0,0|0,0,2]=4 4081 B13R0.340 CCCCCCOCC(C)C(=O)OC 7a_100000749362_100000210314 [0,2,0,0,0,0|0,0,2]=4 4082 B13R0.340 CCCCCCOCC(F)C(=O)OC 34a_200009849844_100000210314 [0,2,0,0,0,0|0,0,2]=4 4083 B13R0.340 CCCCCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210314 [0,2,0,0,0,0|0,0,2]=4 4084 B13R0.340 CCCCCCSCC(=O)C(=O)OC 62a_100000210314_100011610305 [0,2,0,0,0,0|0,0,1]=3 4085 B13R0.340 CCCCCCSCC(=O)C(=O)OC 62a_100011610305_100000210757 [0,2,0,0,0,0|0,0,1]=3 4086 B13R0.340 CCCCCCSCC(=O)N(C)OC 62a_100000210314_100000764215 [0,2,0,0,0,0|1,0,1]=4 4087 B13R0.340 CCCCCCSCC(=O)N(C)OC 62a_100000764215_100000210757 [0,2,0,0,0,0|1,0,1]=4 4088 B13R0.340 CCCCCCSCC(C)C(=O)OC 62a_100000210314_100000698445 [0,2,0,0,0,0|0,0,2]=4 4089 B13R0.340 CCCCCCSCC(C)C(=O)OC 62a_100000698445_100000210757 [0,2,0,0,0,0|0,0,2]=4 4090 B13R0.340 CCCCCNCCC(C)C(=O)OC 2230a_100000209983_100000034942 [0,2,0,0,0,0|0,0,2]=4 4091 B13R0.340 CCCCCOCCC(C)C(=O)OC 34a_100000210253_100000034942 [0,2,0,0,0,0|0,0,2]=4 4092 B13R0.340 CCCCCOCCC(C)C(=O)OC 7a_100000210253_100000034942 [0,2,0,0,0,0|0,0,2]=4 4093 B13R0.340 CCCCCSCCC(C)C(=O)OC 62a_100000034942_100000210326 [0,2,0,0,0,0|0,0,2]=4 4094 B13R0.340 CCCCCSCCC(C)C(=O)OC 62a_100000210326_100000034942 [0,2,0,0,0,0|0,0,2]=4 4095 B13R0.340 CCCCOCCOC(C)C(=O)OC 34a_100000210238_100000211248 [0,2,0,0,0,0|1,0,1]=4 4096 B13R0.340 CCCCOCCOC(C)C(=O)OC 34a_100011215400_100000743108 [0,2,0,0,0,0|1,0,1]=4 4097 B13R0.340 CCCCOCCOC(C)C(=O)OC 7a_100000210238_100000211248 [0,2,0,0,0,0|1,0,1]=4 4098 B13R0.340 CCCCOCCSC(C)C(=O)OC 62a_100000211248_100000743108 [0,2,0,0,0,0|1,0,1]=4 4099 B13R0.340 CCCCOCCSC(C)C(=O)OC 62a_100000743108_100000211248 [0,2,0,0,0,0|1,0,1]=4 4100 B13R0.340 CCCCOCSCC(=O)C(=O)OC 62a_100011610305_100011995733 [0,2,0,0,0,0|1,0,1]=4 4101 B13R0.340 CCCCOCSCC(=O)C(=O)OC 62a_100011995733_100011610305 [0,2,0,0,0,0|1,0,1]=4 4102 B13R0.340 CCCCSCCNC(=O)C(=O)NC 1626a_100025743550_100011218921 [0,2,0,0,0,0|2,0,0]=4 4103 B13R0.340 CCCCSCCNC(=O)C(=O)NC 240690a_100025743550_100011218921 [0,2,0,0,0,0|2,0,0]=4 4104 B13R0.340 CCCCSCCNC(=O)C(=O)NC 527a_100025743550_100011218921 [0,2,0,0,0,0|2,0,0]=4 4105 B13R0.340 CCCCSCCNC(=O)C(=O)OC 11a_100025743550_100000024059 [0,2,0,0,0,0|1,0,0]=3 4106 B13R0.340 CCCCSCCNC(=O)C(=O)OC 1626a_100025743550_100000024059 [0,2,0,0,0,0|1,0,0]=3 4107 B13R0.340 CCCCSCCNC(=O)C(=O)OC 240690a_100025743550_100000024059 [0,2,0,0,0,0|1,0,0]=3 4108 B13R0.340 CCCCSCCNC(=O)C(=O)OC 527a_100025743550_100000024059 [0,2,0,0,0,0|1,0,0]=3 4109 B13R0.340 CCCCSCCNC(C)C(=O)OC 2230a_100025743550_100000211248 [0,2,0,0,0,0|1,0,1]=4 4110 B13R0.340 CCCCSCCOC(C)C(=O)OC 34a_200000230436_100000211248 [0,2,0,0,0,0|1,0,1]=4 4111 B13R0.340 CCCCSCCOC(C)C(=O)OC 7a_200000230436_100000211248 [0,2,0,0,0,0|1,0,1]=4 4112 B13R0.340 CCCOCCCNC(=O)C(=O)NC 1626a_100011217757_100011218921 [0,2,0,0,0,0|2,0,0]=4 4113 B13R0.340 CCCOCCCNC(=O)C(=O)NC 240690a_100011217757_100011218921 [0,2,0,0,0,0|2,0,0]=4 4114 B13R0.340 CCCOCCCNC(=O)C(=O)NC 527a_100011217757_100011218921 [0,2,0,0,0,0|2,0,0]=4 4115 B13R0.340 CCCOCCCNC(=O)C(=O)OC 1626a_100011217757_100000024059 [0,2,0,0,0,0|1,0,0]=3 4116 B13R0.340 CCCOCCCNC(=O)C(=O)OC 240690a_100011217757_100000024059 [0,2,0,0,0,0|1,0,0]=3 4117 B13R0.340 CCCOCCCNC(=O)C(=O)OC 527a_100011217757_100000024059 [0,2,0,0,0,0|1,0,0]=3 4118 B13R0.340 CCCOCCCNC(C)C(=O)OC 2230a_100011217757_100000211248 [0,2,0,0,0,0|1,0,1]=4 4119 B13R0.340 CCCOCCCNC(C)C(=O)OC 34a_100011217757_100000211248 [0,2,0,0,0,0|1,0,1]=4 4120 B13R0.340 CCCOCCNCC(=O)C(=O)OC 34a_100161115042_100011610305 [0,2,0,0,0,0|1,0,1]=4 4121 B13R0.340 CCCOCCOCC(=O)C(=O)OC 34a_100000752267_100011610305 [0,2,0,0,0,0|1,0,1]=4 4122 B13R0.340 CCCOCCSCC(=O)C(=O)OC 62a_100011215938_100011610305 [0,2,0,0,0,0|1,0,1]=4 4123 B13R0.340 CCCOCCSCC(=O)C(=O)OC 62a_100011610305_100011215938 [0,2,0,0,0,0|1,0,1]=4 4124 B13R0.340 CCCSCCOCC(=O)C(=O)OC 34a_200000230433_100011610305 [0,2,0,0,0,0|1,0,1]=4 4125 B13R0.340 CCOCCCNCC(=O)C(=O)OC 34a_100000210961_100011610305 [0,2,0,0,0,0|1,0,1]=4 4126 B13R0.340 CCOCCCOCC(=O)C(=O)OC 34a_100000757476_100011610305 [0,2,0,0,0,0|1,0,1]=4 4127 B13R0.340 CCOCCCSCC(=O)C(=O)OC 62a_100011610305_100012232248 [0,2,0,0,0,0|1,0,1]=4 4128 B13R0.340 CCOCCCSCC(=O)C(=O)OC 62a_100012232248_100011610305 [0,2,0,0,0,0|1,0,1]=4 4129 B13R0.340 CCSCCCOCC(=O)C(=O)OC 34a_100011216438_100011610305 [0,2,0,0,0,0|1,0,1]=4 4130 B13R0.340 CNC(=O)C(=O)CCCCCCCO 1458a_100011218921_100000760002 [0,2,0,0,0,0|1,0,1]=4 4131 B13R0.340 CNC(=O)C(=O)CCCCCCOC 1458a_100011218921_100011998445 [0,2,0,0,0,0|1,0,1]=4 4132 B13R0.340 CNC(=O)C(=O)NCCCCCCO 240690a_100000686447_100011218921 [0,2,0,0,0,0|2,0,0]=4 4133 B13R0.340 CNC(=O)C(=O)NCCCCCCO 527a_100000686447_100011218921 [0,2,0,0,0,0|2,0,0]=4 4134 B13R0.340 CNC(=O)C(=O)NCCCCCOC 1626a_100000747528_100011218921 [0,2,0,0,0,0|2,0,0]=4 4135 B13R0.340 CNC(=O)C(=O)NCCCCCOC 240690a_100000747528_100011218921 [0,2,0,0,0,0|2,0,0]=4 4136 B13R0.340 CNC(=O)C(=O)NCCCCCOC 527a_100000747528_100011218921 [0,2,0,0,0,0|2,0,0]=4 4137 B13R0.340 CNCCCCCOC(C)C(=O)OC 34a_100000722520_100000211248 [0,2,0,0,0,0|1,0,1]=4 4138 B13R0.340 COC(=O)C(=O)CNCCCCCO 34a_100000762737_100011610305 [0,2,0,0,0,0|1,0,1]=4 4139 B13R0.340 COC(=O)C(=O)COCCCCCBr 34a_100000746331_100011610305 [0,2,0,0,0,0|1,0,1]=4 4140 B13R0.340 COC(=O)C(=O)COCCCCCCl 34a_100000746330_100011610305 [0,2,0,0,0,0|1,0,1]=4 4141 B13R0.340 COC(=O)C(=O)COCCCCCI 34a_200012148887_100011610305 [0,2,0,0,0,0|1,0,1]=4 4142 B13R0.340 COC(=O)C(=O)COCCCCCN 34a_100000762737_100011610305 [0,2,0,0,0,0|1,0,1]=4 4143 B13R0.340 COC(=O)C(=O)COCCCCSC 34a_100011217163_100011610305 [0,2,0,0,0,0|1,0,1]=4 4144 B13R0.340 COC(=O)C(=O)CSCCCCCF 62a_100000729378_100011610305 [0,2,0,0,0,0|1,0,1]=4 4145 B13R0.340 COC(=O)C(=O)CSCCCCCF 62a_100011610305_100000729378 [0,2,0,0,0,0|1,0,1]=4 4146 B13R0.340 COC(=O)C(=O)CSCCCCCO 62a_100000746330_100011610305 [0,2,0,0,0,0|1,0,1]=4 4147 B13R0.340 COC(=O)C(=O)CSCCCCCO 62a_100011610305_100000746330 [0,2,0,0,0,0|1,0,1]=4 4148 B13R0.340 COC(=O)C(=O)NCCCCCC#N 11a_100000061152_100000024059 [0,2,0,0,0,0|1,0,1]=4 4149 B13R0.340 COC(=O)C(=O)NCCCCCC#N 1626a_100000061152_100000024059 [0,2,0,0,0,0|1,0,1]=4 4150 B13R0.340 COC(=O)C(=O)NCCCCCC#N 240690a_100000061152_100000024059 [0,2,0,0,0,0|1,0,1]=4 4151 B13R0.340 COC(=O)C(=O)NCCCCCC#N 527a_100000061152_100000024059 [0,2,0,0,0,0|1,0,1]=4 4152 B13R0.340 COC(=O)C(=O)NCCCCCCO 240690a_100000686447_100000024059 [0,2,0,0,0,0|1,0,0]=3 4153 B13R0.340 COC(=O)C(=O)NCCCCCCO 527a_100000686447_100000024059 [0,2,0,0,0,0|1,0,0]=3 4154 B13R0.340 COC(=O)C(C)NCCCCCCO 2230a_100000686447_100000211248 [0,2,0,0,0,0|1,0,1]=4 4155 B13R0.340 COC(=O)C(C)NCCCCCCO 34a_100000686447_100000211248 [0,2,0,0,0,0|1,0,1]=4 4156 B13R0.340 COC(=O)C(C)OCCCCCCBr 34a_100011215345_100000211248 [0,2,0,0,0,0|1,0,1]=4 4157 B13R0.340 COC(=O)C(C)OCCCCCCBr 7a_100011215345_100000211248 [0,2,0,0,0,0|1,0,1]=4 4158 B13R0.340 COC(=O)C(C)OCCCCCCCl 34a_100000766143_100000211248 [0,2,0,0,0,0|1,0,1]=4 4159 B13R0.340 COC(=O)C(C)OCCCCCCCl 7a_100000766143_100000211248 [0,2,0,0,0,0|1,0,1]=4 4160 B13R0.340 COC(=O)C(C)OCCCCCCF 34a_100000732779_100000211248 [0,2,0,0,0,0|1,0,1]=4 4161 B13R0.340 COC(=O)C(C)OCCCCCCF 34a_100011215400_100015922095 [0,2,0,0,0,0|1,0,1]=4 4162 B13R0.340 COC(=O)C(C)OCCCCCCF 7a_100000732779_100000211248 [0,2,0,0,0,0|1,0,1]=4 4163 B13R0.340 COC(=O)C(C)OCCCCCCN 34a_100000686447_100000211248 [0,2,0,0,0,0|1,0,1]=4 4164 B13R0.340 COC(=O)C(C)OCCCCCCO 34a_100011215400_100000766143 [0,2,0,0,0,0|1,0,1]=4 4165 B13R0.340 COC(=O)C(C)SCCCCCCF 62a_100000211248_100015922095 [0,2,0,0,0,0|1,0,1]=4 4166 B13R0.340 COC(=O)C(C)SCCCCCCF 62a_100015922095_100000211248 [0,2,0,0,0,0|1,0,1]=4 4167 B13R0.340 COC(=O)C(C)SCCCCCCO 62a_100000211248_100000766143 [0,2,0,0,0,0|1,0,1]=4 4168 B13R0.340 COC(=O)C(C)SCCCCCCO 62a_100000766143_100000211248 [0,2,0,0,0,0|1,0,1]=4 4169 B13R0.340 COCCCCCNC(=O)C(=O)OC 11a_100000747528_100000024059 [0,2,0,0,0,0|1,0,0]=3 4170 B13R0.340 COCCCCCNC(=O)C(=O)OC 1626a_100000747528_100000024059 [0,2,0,0,0,0|1,0,0]=3 4171 B13R0.340 COCCCCCNC(=O)C(=O)OC 240690a_100000747528_100000024059 [0,2,0,0,0,0|1,0,0]=3 4172 B13R0.340 COCCCCCNC(=O)C(=O)OC 527a_100000747528_100000024059 [0,2,0,0,0,0|1,0,0]=3 4173 B13R0.340 COCCCCCNC(C)C(=O)OC 2230a_100000747528_100000211248 [0,2,0,0,0,0|1,0,1]=4 4174 B13R0.340 COCCCCCNC(C)C(=O)OC 34a_100000747528_100000211248 [0,2,0,0,0,0|1,0,1]=4 4175 B13R0.340 COCCCCOCC(=O)C(=O)OC 34a_100000740925_100011610305 [0,2,0,0,0,0|1,0,1]=4 4176 B13R0.340 COCCCCSCC(=O)C(=O)OC 62a_100000730899_100011610305 [0,2,0,0,0,0|1,0,1]=4 4177 B13R0.340 COCCCCSCC(=O)C(=O)OC 62a_100011610305_100000730899 [0,2,0,0,0,0|1,0,1]=4 4178 B13R0.340 COCCOCCNC(=O)C(=O)OC 11a_100000745349_100000024059 [0,2,0,0,0,0|2,0,0]=4 4179 B13R0.340 COCCOCCNC(=O)C(=O)OC 1626a_100000745349_100000024059 [0,2,0,0,0,0|2,0,0]=4 4180 B13R0.340 COCCOCCNC(=O)C(=O)OC 240690a_100000745349_100000024059 [0,2,0,0,0,0|2,0,0]=4 4181 B13R0.340 COCCOCCNC(=O)C(=O)OC 527a_100000745349_100000024059 [0,2,0,0,0,0|2,0,0]=4 4182 B13R0.367 CCCC(C)CCOCC(=O)OCC 34a_100011217855_100000188475 [0,2,0,0,0,0|1,0,1]=4 4183 B13R0.367 CCCC(C)CCOCC(=O)OCC 7a_100011217855_100000188475 [0,2,0,0,0,0|1,0,1]=4 4184 B13R0.367 CCCC(C)NC/C=C/C(=O)OCC 2230a_100000741246_100016267167 [0,2,0,0,0,0|1,0,0]=3 4185 B13R0.367 CCCC(C)OC/C=C/C(=O)OCC 34a_100000764384_100016267167 [0,2,0,0,0,0|1,0,0]=3 4186 B13R0.367 CCCC(C)OC/C=C/C(=O)OCC 7a_100000764384_100016267167 [0,2,0,0,0,0|1,0,0]=3 4187 B13R0.367 CCCC(C)SC/C=C/C(=O)OCC 62a_100000766640_100016267167 [0,2,0,0,0,0|1,0,0]=3 4188 B13R0.367 CCCC(C)SC/C=C/C(=O)OCC 62a_100016267167_100000766640 [0,2,0,0,0,0|1,0,0]=3 4189 B13R0.367 CCC[C@H](N)CCOCC(=O)OCC 34a_100015193777_100000188475 [0,2,0,0,0,0|1,0,1]=4 4190 B13R0.367 CCOC(=O)/C=C/CN[C@H](C)CCO 2230a_100000706166_100016267167 [0,2,0,0,0,0|2,0,0]=4 4191 B13R0.367 CCOC(=O)/C=C/CN[C@H](C)CCO 34a_100000706166_100016267167 [0,2,0,0,0,0|2,0,0]=4 4192 B13R0.367 CCOC(=O)/C=C/CN[C@H](C)COC 2230a_100000764878_100016267167 [0,2,0,0,0,0|2,0,0]=4 4193 B13R0.367 CCOC(=O)/C=C/COC(C)CCBr 34a_100012276601_100016267167 [0,2,0,0,0,0|2,0,0]=4 4194 B13R0.367 CCOC(=O)/C=C/CO[C@H](C)COC 34a_100011934205_100016267167 [0,2,0,0,0,0|2,0,0]=4 4195 B13R0.367 CCOC(=O)/C=C/CSC(C)CCO 62a_100009893172_100016267167 [0,2,0,0,0,0|2,0,0]=4 4196 B13R0.367 CCOC(=O)/C=C/CSC(C)CCO 62a_100016267167_100009893172 [0,2,0,0,0,0|2,0,0]=4 4197 B13R0.367 CCOC(=O)/C=C/CSC(C)COC 62a_100000765312_100016267167 [0,2,0,0,0,0|2,0,0]=4 4198 B13R0.367 CCOC(=O)/C=C/CSC(C)COC 62a_100016267167_100000765312 [0,2,0,0,0,0|2,0,0]=4 4199 B13R0.60 CCCCCCNC(CC)C(=O)OC 2230a_100000210581_100000235869 [0,2,0,0,0,0|1,0,1]=4 4200 B13R0.60 CCCCCCOC(C=O)C(=O)OC 34a_100000210259_100000046368 [0,2,0,0,0,0|1,0,1]=4 4201 B13R0.60 CCCCCCOC(CC)C(=O)OC 34a_100000210259_100000235869 [0,2,0,0,0,0|1,0,1]=4 4202 B13R0.60 CCCCCCOC(CC)C(=O)OC 34a_100000695916_100000210314 [0,2,0,0,0,0|1,0,1]=4 4203 B13R0.60 CCCCCCOC(CC)C(=O)OC 7a_100000210259_100000742303 [0,2,0,0,0,0|1,0,1]=4 4204 B13R0.60 CCCCCCOC(CC)C(=O)OC 7a_100000695916_100000210314 [0,2,0,0,0,0|1,0,1]=4 4205 B13R0.60 CCCCCCOC(CN)C(=O)OC 34a_100000695228_100000210314 [0,2,0,0,0,0|1,0,1]=4 4206 B13R0.60 CCCCCCOC(CO)C(=O)OC 34a_100000210259_100012276630 [0,2,0,0,0,0|1,0,1]=4 4207 B13R0.60 CCCCCCOC(OC)C(=O)OC 34a_100000036821_100000210314 [0,2,0,0,0,0|1,0,1]=4 4208 B13R0.60 CCCCCCOC(OC)C(=O)OC 34a_100000210259_100000101307 [0,2,0,0,0,0|1,0,1]=4 4209 B13R0.60 CCCCCCSC(C=O)C(=O)OC 62a_100000046368_100000210757 [0,2,0,0,0,0|1,0,1]=4 4210 B13R0.60 CCCCCCSC(C=O)C(=O)OC 62a_100000210314_100000046368 [0,2,0,0,0,0|1,0,1]=4 4211 B13R0.60 CCCCCCSC(CC)C(=O)OC 62a_100000210314_100000235869 [0,2,0,0,0,0|1,0,1]=4 4212 B13R0.60 CCCCCCSC(CC)C(=O)OC 62a_100000235869_100000210757 [0,2,0,0,0,0|1,0,1]=4 4213 B13R0.60 CCCCCCSC(CO)C(=O)OC 62a_100000210314_100012276630 [0,2,0,0,0,0|1,0,1]=4 4214 B13R0.60 CCCCCCSC(CO)C(=O)OC 62a_100012276630_100000210757 [0,2,0,0,0,0|1,0,1]=4 4215 B13R0.60 CCCCCCSC(OC)C(=O)OC 62a_100000101307_100000210757 [0,2,0,0,0,0|1,0,1]=4 4216 B13R0.60 CCCCCCSC(OC)C(=O)OC 62a_100000210314_100000101307 [0,2,0,0,0,0|1,0,1]=4 4217 B13R0.60 CCCCCNN=C(CC)C(=O)OC 4a_100000694160_100000688641 [0,2,0,0,0,0|2,0,0]=4 4218 B13R0.101 C=C(CNCCCC(C)C)C(=O)OC 34a_200000737386_100009813391 [0,2,0,0,0,0|1,0,1]=4 4219 B13R0.101 C=C(COCCCC(C)C)C(=O)OC 34a_100000210774_100009813391 [0,2,0,0,0,0|1,0,1]=4 4220 B13R0.101 C=C(CSCCCC(C)C)C(=O)OC 62a_100009813391_100011214892 [0,2,0,0,0,0|1,0,1]=4 4221 B13R0.101 C=C(CSCCCC(C)C)C(=O)OC 62a_100011214892_100009813391 [0,2,0,0,0,0|1,0,1]=4 4222 B13R0.101 C=C(CSCCCC(C)O)C(=O)OC 62a_100009813391_200000718107 [0,2,0,0,0,0|1,0,1]=4 4223 B13R0.101 C=C(CSCCCC(C)O)C(=O)OC 62a_200000718107_100009813391 [0,2,0,0,0,0|1,0,1]=4 4224 B13R0.101 CNC(=O)C(=O)CCCCCC(C)C 1458a_100011218921_100000210682 [0,2,0,0,0,0|1,0,1]=4 4225 B13R0.101 COC(=O)C(=O)CNCCCC(C)C 34a_200000737386_100011610305 [0,2,0,0,0,0|1,0,1]=4 4226 B13R0.101 COC(=O)C(=O)COCCCC(C)C 34a_100000210774_100011610305 [0,2,0,0,0,0|1,0,1]=4 4227 B13R0.101 COC(=O)C(=O)CSCCCC(C)C 62a_100011214892_100011610305 [0,2,0,0,0,0|1,0,1]=4 4228 B13R0.101 COC(=O)C(=O)CSCCCC(C)C 62a_100011610305_100011214892 [0,2,0,0,0,0|1,0,1]=4 4229 B13R0.101 COC(=O)C(=O)CSCCCC(C)O 62a_100011610305_200000718107 [0,2,0,0,0,0|1,0,1]=4 4230 B13R0.101 COC(=O)C(=O)CSCCCC(C)O 62a_200000718107_100011610305 [0,2,0,0,0,0|1,0,1]=4 4231 B13R0.101 COC(=O)C(=O)NCCCCN(C)C 240690a_100025707445_100000024059 [0,2,0,0,0,0|2,0,0]=4 4232 B13R0.101 COC(=O)C(=O)NCCCOC(C)C 11a_100000737246_100000024059 [0,2,0,0,0,0|2,0,0]=4 4233 B13R0.101 COC(=O)C(=O)NCCCOC(C)C 1626a_100000737246_100000024059 [0,2,0,0,0,0|2,0,0]=4 4234 B13R0.101 COC(=O)C(=O)NCCCOC(C)C 240690a_100000737246_100000024059 [0,2,0,0,0,0|2,0,0]=4 4235 B13R0.101 COC(=O)C(=O)NCCCOC(C)C 527a_100000737246_100000024059 [0,2,0,0,0,0|2,0,0]=4 4236 B13R0.101 COC(=O)C(C)OCCCCC(C)C 34a_100011214890_100000211248 [0,2,0,0,0,0|1,0,1]=4 4237 B13R0.101 COC(=O)C(C)OCCCCC(C)C 34a_100011215400_100011216152 [0,2,0,0,0,0|1,0,1]=4 4238 B13R0.101 COC(=O)C(C)OCCCCC(C)C 7a_100011214890_100000211248 [0,2,0,0,0,0|1,0,1]=4 4239 B13R0.101 COC(=O)C(C)SCCCCC(C)C 62a_100000211248_100011216152 [0,2,0,0,0,0|1,0,1]=4 4240 B13R0.101 COC(=O)C(C)SCCCCC(C)C 62a_100011216152_100000211248 [0,2,0,0,0,0|1,0,1]=4 4241 B13R0.131 C=C(COC(C)CCCC)C(=O)OC 34a_100000687866_100009813391 [0,2,0,0,0,0|1,0,1]=4 4242 B13R0.131 C=C(CSC(C)CCCC)C(=O)OC 62a_100009813391_200011215066 [0,2,0,0,0,0|1,0,1]=4 4243 B13R0.131 C=C(CSC(C)CCCC)C(=O)OC 62a_200011215066_100009813391 [0,2,0,0,0,0|1,0,1]=4 4244 B13R0.131 CCCCC(C)COC(C)C(=O)OC 34a_100011995851_100000211248 [0,2,0,0,0,0|1,0,1]=4 4245 B13R0.131 CCCCC(C)COC(C)C(=O)OC 7a_100011995851_100000211248 [0,2,0,0,0,0|1,0,1]=4 4246 B13R0.131 CCCCC(C)OCC(=O)C(=O)OC 34a_100000687866_100011610305 [0,2,0,0,0,0|1,0,1]=4 4247 B13R0.131 CCCCC(C)SCC(=O)C(=O)OC 62a_100011610305_200011215066 [0,2,0,0,0,0|1,0,1]=4 4248 B13R0.131 CCCCC(C)SCC(=O)C(=O)OC 62a_200011215066_100011610305 [0,2,0,0,0,0|1,0,1]=4 4249 B13R0.131 CCCC[C@H](N)COC(C)C(=O)OC 34a_100011934283_100000211248 [0,2,0,0,0,0|1,0,1]=4 4250 B13R0.131 CCCOC(C)CNC(=O)C(=O)OC 11a_100015185124_100000024059 [0,2,0,0,0,0|2,0,0]=4 4251 B13R0.131 CCCOC(C)CNC(=O)C(=O)OC 1626a_100015185124_100000024059 [0,2,0,0,0,0|2,0,0]=4 4252 B13R0.131 CCCOC(C)CNC(=O)C(=O)OC 240690a_100015185124_100000024059 [0,2,0,0,0,0|2,0,0]=4 4253 B13R0.131 CCCOC(C)CNC(=O)C(=O)OC 527a_100015185124_100000024059 [0,2,0,0,0,0|2,0,0]=4 4254 B13R0.131 CCOCC(O)CNC(=O)C(=O)OC 240690a_102515437182_100000024059 [0,2,0,0,0,0|2,0,0]=4 4255 B13R0.131 CCOCC(O)CNC(=O)C(=O)OC 527a_102515437182_100000024059 [0,2,0,0,0,0|2,0,0]=4 4256 B13R0.131 COC(=O)C(=O)NC[C@H](C)CCCO 240690a_100160569302_100000024059 [0,2,0,0,0,0|2,0,0]=4 4257 B13R0.131 COC(=O)C(=O)NC[C@H](C)CCCO 527a_100160569302_100000024059 [0,2,0,0,0,0|2,0,0]=4 4258 B13R0.250 CCC(=O)C(C)SC/C=C/C(=O)OC 62a_100000742655_100000742827 [0,2,0,0,0,0|1,0,1]=4 4259 B13R0.250 CCC(=O)C(C)SC/C=C/C(=O)OC 62a_100000742827_100000742655 [0,2,0,0,0,0|1,0,1]=4 4260 B13R0.250 CCC(C)C(C)OC/C=C/C(=O)OC 7a_100011215189_100000742655 [0,2,0,0,0,0|1,0,0]=3 4261 B13R0.250 CCC(C)CCCOC(C)C(=O)OC 7a_100011216074_100000211248 [0,2,0,0,0,0|1,0,1]=4 4262 B13R0.337 CCCCCCCC(=O)C(=O)N(C)C 1458a_100011218876_100000210614 [0,2,0,0,0,0|1,0,1]=4 4263 B13R0.337 CCCCCCNC(=O)C(=O)N(C)C 1626a_100000210581_100011218876 [0,2,0,0,0,0|2,0,0]=4 4264 B13R0.337 CCCCCCNC(=O)C(=O)N(C)C 240690a_100000210581_100011218876 [0,2,0,0,0,0|2,0,0]=4 4265 B13R0.337 CCCCCCNC(=O)C(=O)N(C)C 527a_100000210581_100011218876 [0,2,0,0,0,0|2,0,0]=4 4266 B13R0.369 C=C(COCC(C)CCC)C(=O)OC 34a_100000688023_100009813391 [0,2,0,0,0,0|1,0,1]=4 4267 B13R0.369 C=C(COC[C@@H](N)CCC)C(=O)OC 34a_100000732646_100009813391 [0,2,0,0,0,0|1,0,1]=4 4268 B13R0.369 C=C(CSCC(C)CCC)C(=O)OC 62a_100009813391_100011216630 [0,2,0,0,0,0|1,0,1]=4 4269 B13R0.369 C=C(CSCC(C)CCC)C(=O)OC 62a_100011216630_100009813391 [0,2,0,0,0,0|1,0,1]=4 4270 B13R0.369 CCCC(C)CCOC(C)C(=O)OC 34a_100011217855_100000211248 [0,2,0,0,0,0|1,0,1]=4 4271 B13R0.369 CCCC(C)CCOC(C)C(=O)OC 7a_100011217855_100000211248 [0,2,0,0,0,0|1,0,1]=4 4272 B13R0.369 CCCC(C)COCC(=O)C(=O)OC 34a_100000688023_100011610305 [0,2,0,0,0,0|1,0,1]=4 4273 B13R0.369 CCCC(C)CSCC(=O)C(=O)OC 62a_100011216630_100011610305 [0,2,0,0,0,0|1,0,1]=4 4274 B13R0.369 CCCC(C)CSCC(=O)C(=O)OC 62a_100011610305_100011216630 [0,2,0,0,0,0|1,0,1]=4 4275 B13R0.369 CCC[C@H](N)CCOC(C)C(=O)OC 34a_100015193777_100000211248 [0,2,0,0,0,0|1,0,1]=4 4276 B13R0.369 CCC[C@H](N)COCC(=O)C(=O)OC 34a_100000732646_100011610305 [0,2,0,0,0,0|1,0,1]=4 4277 B13R0.422 CCCCCCC(=O)C(C)C(=O)CC 1458a_100102632555_100000742827 [0,2,0,0,0,0|1,0,1]=4 4278 B13R0.422 CCCCCCC(=O)C(C)C(=O)NC 1458a_100102632555_100000209862 [0,2,0,0,0,0|1,0,1]=4 4279 B13R0.422 CCCCCCC(=O)C(C)C(=O)OC 1458a_100012027023_100000210757 [0,2,0,0,0,0|0,0,1]=3 4280 B13R0.422 CCCCCCC(=O)C(C)C(=O)OC 1458a_100102632555_100000211248 [0,2,0,0,0,0|0,0,1]=3 4281 B13R0.422 CCCCCCC(=O)C(F)C(=O)NC 1458a_100102632555_100009813575 [0,2,0,0,0,0|1,0,1]=4 4282 B13R0.422 CCCCCCC(C)C(=O)C(=O)NC 1458a_100011218921_100011215978 [0,2,0,0,0,0|1,0,1]=4 4283 B13R0.422 CCCCCCN(C)C(=O)C(=O)NC 1626a_106256046315_100011218921 [0,2,0,0,0,0|2,0,0]=4 4284 B13R0.422 CCCCCCN(C)C(=O)C(=O)NC 240690a_106256046315_100011218921 [0,2,0,0,0,0|2,0,0]=4 4285 B13R0.422 CCCCCCN(C)C(=O)C(=O)NC 527a_106256046315_100011218921 [0,2,0,0,0,0|2,0,0]=4 4286 B13R0.422 CCCCCCN(C)C(=O)C(=O)OC 11a_106256046315_100000024059 [0,2,0,0,0,0|1,0,0]=3 4287 B13R0.422 CCCCCCN(C)C(=O)C(=O)OC 1626a_106256046315_100000024059 [0,2,0,0,0,0|1,0,0]=3 4288 B13R0.422 CCCCCCN(C)C(=O)C(=O)OC 240690a_106256046315_100000024059 [0,2,0,0,0,0|1,0,0]=3 4289 B13R0.422 CCCCCCN(C)C(=O)C(=O)OC 527a_106256046315_100000024059 [0,2,0,0,0,0|1,0,0]=3 4290 B13R0.422 CCCCCCN(C)C(C)C(=O)OC 2230a_100000725243_100000210314 [0,2,0,0,0,0|1,0,1]=4 4291 B13R0.422 CCCCCCN(C)C(C)C(=O)OC 2230a_106256046315_100000211248 [0,2,0,0,0,0|1,0,1]=4 4292 B13R0.422 CCCCCCN(C)C(C)C(=O)OC 269982a_100000725243_100000210757 [0,2,0,0,0,0|1,0,1]=4 4293 B13R0.422 CCCCCCN(C)C(C)C(=O)OC 269982a_106256046315_100000211248 [0,2,0,0,0,0|1,0,1]=4 4294 B13R0.422 CCCCCNC(=O)C(C)C(=O)OC 11a_100000209983_100012027023 [0,2,0,0,0,0|1,0,1]=4 4295 B13R0.422 CCCCCNC(=O)C(C)C(=O)OC 1626a_100000209983_100012027023 [0,2,0,0,0,0|1,0,1]=4 4296 B13R0.422 CCCCCNC(=O)C(C)C(=O)OC 240690a_100000209983_100012027023 [0,2,0,0,0,0|1,0,1]=4 4297 B13R0.422 CCCCCNC(=O)C(C)C(=O)OC 527a_100000209983_100012027023 [0,2,0,0,0,0|1,0,1]=4 4298 B13R0.422 CCCCCNC(C)C(=O)C(=O)OC 2230a_100000209983_100000692041 [0,2,0,0,0,0|1,0,1]=4 4299 B13R0.422 CCCCCOC(C)C(=O)C(=O)OC 34a_100000210253_100000692041 [0,2,0,0,0,0|1,0,1]=4 4300 B13R0.422 CCCCCSC(C)C(=O)C(=O)OC 62a_100000210326_100000692041 [0,2,0,0,0,0|1,0,1]=4 4301 B13R0.422 CCCCCSC(C)C(=O)C(=O)OC 62a_100000692041_100000210326 [0,2,0,0,0,0|1,0,1]=4 4302 B13R0.422 CCCCOCC(=O)C(C)C(=O)OC 1458a_100000757543_100000211248 [0,2,0,0,0,0|1,0,1]=4 4303 B13R0.422 CCCCOCC(=O)C(C)C(=O)OC 1458a_100012027023_100011995733 [0,2,0,0,0,0|1,0,1]=4 4304 B13R0.422 CCCCSCC(=O)C(C)C(=O)OC 1458a_100000191162_100000211248 [0,2,0,0,0,0|1,0,1]=4 4305 B13R0.422 CCCOCCC(=O)C(C)C(=O)OC 1458a_100012027023_100011215938 [0,2,0,0,0,0|1,0,1]=4 4306 B13R0.422 CCOCCCC(=O)C(C)C(=O)OC 1458a_100012027023_100012232248 [0,2,0,0,0,0|1,0,1]=4 4307 B13R0.422 COC(=O)C(=O)N(C)CCCCCO 240690a_100000722520_100000024059 [0,2,0,0,0,0|2,0,0]=4 4308 B13R0.422 COC(=O)C(C)C(=O)CCCCCF 1458a_100012027023_100000729378 [0,2,0,0,0,0|1,0,1]=4 4309 B13R0.422 COC(=O)C(C)C(=O)CCCCCO 1458a_100012027023_100000746330 [0,2,0,0,0,0|1,0,1]=4 4310 B13R0.422 COC(=O)C(C)C(=O)CCCCCO 1458a_100102619762_100000211248 [0,2,0,0,0,0|1,0,1]=4 4311 B13R0.422 COCCCCC(=O)C(C)C(=O)OC 1458a_100012027023_100000755781 [0,2,0,0,0,0|1,0,1]=4 4312 B13R0.714 CCCCCCNC(C)(C)C(=O)OC 2230a_100000210581_100000689032 [0,2,0,0,0,0|1,0,1]=4 4313 B13R0.714 CCCCCCNC(C)(F)C(=O)OC 2230a_100000210581_200009867631 [0,2,0,0,0,0|1,0,1]=4 4314 B13R0.714 CCCCCCOC(C)(C)C(=O)OC 34a_100011217581_100000210314 [0,2,0,0,0,0|1,0,1]=4 4315 B13R0.714 CCCCCCOC(C)(C)C(=O)OC 7a_100011217581_100000210314 [0,2,0,0,0,0|1,0,1]=4 4316 B13R0.714 CCCCCCOC(C)(F)C(=O)OC 34a_100000210259_200009867631 [0,2,0,0,0,0|1,0,1]=4 4317 B13R0.714 CCCCCCOC(F)(F)C(=O)OC 34a_100000210259_100000211177 [0,2,0,0,0,0|1,0,1]=4 4318 B13R0.714 CCCCCCOC(F)(F)C(=O)OC 7a_100000210259_100000211177 [0,2,0,0,0,0|1,0,1]=4 4319 B13R0.714 CCCCCCSC(C)(C)C(=O)OC 62a_100000210314_100000689032 [0,2,0,0,0,0|1,0,1]=4 4320 B13R0.714 CCCCCCSC(C)(C)C(=O)OC 62a_100000689032_100000210757 [0,2,0,0,0,0|1,0,1]=4 4321 B13R0.714 CCCCCCSC(C)(F)C(=O)OC 62a_100000210314_200009867631 [0,2,0,0,0,0|1,0,1]=4 4322 B13R0.714 CCCCCCSC(C)(F)C(=O)OC 62a_200009867631_100000210757 [0,2,0,0,0,0|1,0,1]=4 4323 B13R0.714 CCCCCCSC(F)(F)C(=O)OC 62a_100000210314_100000211177 [0,2,0,0,0,0|1,0,1]=4 4324 B13R0.714 CCCCCCSC(F)(F)C(=O)OC 62a_100000211177_100000210757 [0,2,0,0,0,0|1,0,1]=4 4325 B13R0.1293 CCCCCC(C)NC(=O)C(=O)NC 1626a_100000211957_100011218921 [0,2,0,0,0,0|2,0,0]=4 4326 B13R0.1293 CCCCCC(C)NC(=O)C(=O)NC 240690a_100000211957_100011218921 [0,2,0,0,0,0|2,0,0]=4 4327 B13R0.1293 CCCCCC(C)NC(=O)C(=O)NC 527a_100000211957_100011218921 [0,2,0,0,0,0|2,0,0]=4 4328 B13R0.1293 CCCCCC(C)NC(=O)C(=O)OC 11a_100000211957_100000024059 [0,2,0,0,0,0|1,0,0]=3 4329 B13R0.1293 CCCCCC(C)NC(=O)C(=O)OC 1626a_100000211957_100000024059 [0,2,0,0,0,0|1,0,0]=3 4330 B13R0.1293 CCCCCC(C)NC(=O)C(=O)OC 240690a_100000211957_100000024059 [0,2,0,0,0,0|1,0,0]=3 4331 B13R0.1293 CCCCCC(C)NC(=O)C(=O)OC 527a_100000211957_100000024059 [0,2,0,0,0,0|1,0,0]=3 4332 B13R0.1293 CCCCCC(C)NC(C)C(=O)OC 2230a_100000211957_100000211248 [0,2,0,0,0,0|1,0,1]=4 4333 B13R0.1293 CCCCCC(C)OC(C)C(=O)OC 34a_100011215400_200011218191 [0,2,0,0,0,0|1,0,1]=4 4334 B13R0.1293 CCCCCC(C)OC(C)C(=O)OC 34a_100011215632_100000211248 [0,2,0,0,0,0|1,0,1]=4 4335 B13R0.1293 CCCCCC(C)OC(C)C(=O)OC 7a_100011215632_100000211248 [0,2,0,0,0,0|1,0,1]=4 4336 B13R0.1293 CCCCCC(C)SC(C)C(=O)OC 62a_100000211248_200011218191 [0,2,0,0,0,0|1,0,1]=4 4337 B13R0.1293 CCCCCC(C)SC(C)C(=O)OC 62a_200011218191_100000211248 [0,2,0,0,0,0|1,0,1]=4 4338 B13R0.163 CCC(CC)CNC/C=C/C(=O)OC 2230a_100102946423_100000742655 [0,2,0,0,0,0|1,0,0]=3 4339 B13R0.163 CCC(CC)COC/C=C/C(=O)OC 7a_100000703878_100000742655 [0,2,0,0,0,0|1,0,0]=3 4340 B13R0.163 CCC(CC)CSC/C=C/C(=O)OC 62a_100000742655_100011215472 [0,2,0,0,0,0|1,0,0]=3 4341 B13R0.163 CCC(CC)CSC/C=C/C(=O)OC 62a_100011215472_100000742655 [0,2,0,0,0,0|1,0,0]=3 4342 B13R0.163 CCC(COC/C=C/C(=O)OC)OC 34a_100011934954_100000742655 [0,2,0,0,0,0|1,0,0]=3 4343 B13R0.163 CCC(COC/C=C/C(=O)OC)OC 7a_100011934954_100000742655 [0,2,0,0,0,0|1,0,0]=3 4344 B13R0.163 CCN(CC)COC/C=C/C(=O)OC 7a_200015374951_100000742655 [0,2,0,0,0,0|2,0,0]=4 4345 B13R0.163 COC(=O)/C=C/COCC(OC)OC 34a_100011216393_100000742655 [0,2,0,0,0,0|2,0,0]=4 4346 B13R0.163 COC(=O)/C=C/CSCC(OC)OC 62a_100000742655_100000751394 [0,2,0,0,0,0|2,0,0]=4 4347 B13R0.163 COC(=O)/C=C/CSCC(OC)OC 62a_100000751394_100000742655 [0,2,0,0,0,0|2,0,0]=4 4348 B13R0.40 CCCCC(C)C(=O)C=CC(=O)NC 1458a_100016259477_200011215066 [0,2,0,0,0,0|1,0,1]=4 4349 B13R0.40 CCCCN(C)C(=O)C=CC(=O)OC 1626a_100000207549_100016283253 [0,2,0,0,0,0|1,0,1]=4 4350 B13R0.118 CCCCC(=O)CC(=O)NC(=O)OC 1458a_100000210183_100000010850 [0,2,0,0,0,0|1,0,1]=4 4351 B13R0.118 CCCCC(C)NC(=O)CC(=O)OC 240690a_100000126638_100000211351 [0,2,0,0,0,0|1,0,1]=4 4352 B13R0.118 CCCCN(C)CC(=O)NC(=O)OC 269982a_100000207549_100000010850 [0,2,0,0,0,0|2,0,0]=4 4353 B13R0.194 CCCCCC(=O)CCCC(=O)OC 1458a_100000212188_100011218270 [0,2,0,0,0,0|0,0,2]=4 4354 B13R0.194 CCCCCC(=O)CCCC(=O)OC 1458a_100000239890_100000210326 [0,2,0,0,0,0|0,0,2]=4 4355 B13R0.194 CCCCCC(=O)CSCC(=O)OC 1458a_100000191316_100000210326 [0,2,0,0,0,0|1,0,1]=4 4356 B13R0.194 CCCCCC(=O)CSCC(=O)OC 62a_100000747449_200012276598 [0,2,0,0,0,0|1,0,1]=4 4357 B13R0.194 CCCCCC(=O)CSCC(=O)OC 62a_200012276598_100000747449 [0,2,0,0,0,0|1,0,1]=4 4358 B13R0.194 CCCCCC(=O)NN=CC(=O)OC 4a_100000189784_200011823558 [0,2,0,0,0,0|1,0,1]=4 4359 B13R0.194 CCCCCC(C)NCCC(=O)OC 2230a_100000211957_100000204255 [0,2,0,0,0,0|0,0,2]=4 4360 B13R0.194 CCCCCC(C)OCCC(=O)OC 34a_100011215632_100000742370 [0,2,0,0,0,0|0,0,2]=4 4361 B13R0.194 CCCCCC(C)OCCC(=O)OC 7a_100011215632_100000204255 [0,2,0,0,0,0|0,0,2]=4 4362 B13R0.194 CCCCCC(C)SCCC(=O)OC 62a_100000204255_200011218191 [0,2,0,0,0,0|0,0,2]=4 4363 B13R0.194 CCCCCC(C)SCCC(=O)OC 62a_200011218191_100000204255 [0,2,0,0,0,0|0,0,2]=4 4364 B13R0.194 CCCCCC(C)SCOC(=O)OC 62a_200011218191_100000139417 [0,2,0,0,0,0|1,0,1]=4 4365 B13R0.194 CCCCCN(C)C/C=C/C(=O)OC 2230a_100000223495_100000742655 [0,2,0,0,0,0|0,0,0]=2 4366 B13R0.194 CCCCCN(C)C/C=C/C(=O)OC 269982a_100000223495_100000742655 [0,2,0,0,0,0|0,0,0]=2 4367 B13R0.194 CCCCCN(C)CCCC(=O)OC 2230a_100000223495_100011218270 [0,2,0,0,0,0|0,0,2]=4 4368 B13R0.194 CCCCCN(C)CCCC(=O)OC 269982a_100000223495_100011218270 [0,2,0,0,0,0|0,0,2]=4 4369 B13R0.194 CCCCCN(C)CCCC(=O)OC 269982a_100000739225_100000210215 [0,2,0,0,0,0|0,0,2]=4 4370 B13R0.194 COC(=O)/C=C/CN(C)CCCCO 2230a_100000717598_100000742655 [0,2,0,0,0,0|1,0,0]=3 4371 B13R0.194 COC(=O)/C=C/CN(C)CCCCO 269982a_100000717598_100000742655 [0,2,0,0,0,0|1,0,0]=3 4372 B13R0.194 COC(=O)COC[C@@H](N)CCCCN 34a_100016993712_100000747449 [0,2,0,0,0,0|1,0,1]=4 4373 B13R0.194 COCCCN(C)C/C=C/C(=O)OC 2230a_100000224831_100000742655 [0,2,0,0,0,0|1,0,0]=3 4374 B13R0.194 COCCCN(C)C/C=C/C(=O)OC 269982a_100000224831_100000742655 [0,2,0,0,0,0|1,0,0]=3 4375 B13R0.208 COC(=O)/C=C/CN(C)CCC(C)C 2230a_100000742789_100000742655 [0,2,0,0,0,0|1,0,0]=3 4376 B13R0.208 COC(=O)/C=C/CN(C)CCC(C)C 269982a_100000742789_100000742655 [0,2,0,0,0,0|1,0,0]=3 4377 B13R0.208 COC(=O)/C=C/CN(C)CCN(C)C 269982a_100000225618_100000742655 [0,2,0,0,0,0|2,0,0]=4 4378 B13R0.267 COC(=O)/C=C/CN(C)C(C)CCO 2230a_100000731037_100000742655 [0,2,0,0,0,0|2,0,0]=4 4379 B13R0.267 COC(=O)/C=C/CN(C)C(C)CCO 269982a_100000731037_100000742655 [0,2,0,0,0,0|2,0,0]=4 4380 B13R0.306 CCCCC(CC)CNCC(=O)OC 2230a_100000209976_100000747449 [0,2,0,0,0,0|1,0,1]=4 4381 B13R0.306 CCCCC(CC)COCC(=O)OC 34a_100000210273_100000747449 [0,2,0,0,0,0|1,0,1]=4 4382 B13R0.306 CCCCC(CC)COCC(=O)OC 7a_100000210273_100000747449 [0,2,0,0,0,0|1,0,1]=4 4383 B13R0.306 CCCCC(CC)CSCC(=O)OC 62a_100000211942_100000747449 [0,2,0,0,0,0|1,0,1]=4 4384 B13R0.306 CCCCC(CC)CSCC(=O)OC 62a_100000747449_100000211942 [0,2,0,0,0,0|1,0,1]=4 4385 B13R0.306 CCCCN(CC)C/C=C/C(=O)OC 2230a_100000207695_100000742655 [0,2,0,0,0,0|1,0,0]=3 4386 B13R0.306 CCCCN(CC)C/C=C/C(=O)OC 269982a_100000207695_100000742655 [0,2,0,0,0,0|1,0,0]=3 4387 B13R0.306 CCN(C/C=C/C(=O)OC)CCOC 2230a_100000731262_100000742655 [0,2,0,0,0,0|2,0,0]=4 4388 B13R0.306 CCN(C/C=C/C(=O)OC)CCOC 269982a_100000731262_100000742655 [0,2,0,0,0,0|2,0,0]=4 4389 B13R0.429 CCC(C)CCNC(=O)CC(=O)OC 240690a_100020591266_100000211351 [0,2,0,0,0,0|1,0,1]=4 4390 B13R0.429 CCC(C)CN(C)C/C=C/C(=O)OC 2230a_100000753921_100000742655 [0,2,0,0,0,0|1,0,0]=3 4391 B13R0.429 CCC(C)CN(C)C/C=C/C(=O)OC 269982a_100000753921_100000742655 [0,2,0,0,0,0|1,0,0]=3 4392 B13R0.429 CCC(C)CSCC(=O)CC(=O)OC 62a_100000210525_100000748023 [0,2,0,0,0,0|1,0,1]=4 4393 B13R0.429 CCC(C)CSCC(=O)CC(=O)OC 62a_100000748023_100000210525 [0,2,0,0,0,0|1,0,1]=4 4394 B13R0.429 CCC(C)CSCC(=O)NC(=O)OC 62a_100000748023_100000010850 [0,2,0,0,0,0|2,0,0]=4 4395 B13R0.429 CCC(O)CSCC(=O)CC(=O)OC 62a_100000210525_100011218378 [0,2,0,0,0,0|1,0,1]=4 4396 B13R0.429 CCC(O)CSCC(=O)CC(=O)OC 62a_100011218378_100000210525 [0,2,0,0,0,0|1,0,1]=4 4397 B13R0.429 CCC(O)CSCC(=O)NC(=O)OC 62a_100011218378_100000010850 [0,2,0,0,0,0|2,0,0]=4 4398 B13R0.429 CCN(C)CCCC(=O)CC(=O)OC 1458a_100000211351_100015186262 [0,2,0,0,0,0|1,0,1]=4 4399 B13R0.429 CC[C@H](C)CSCC(=O)CC(=O)OC 62a_100000210525_100009816398 [0,2,0,0,0,0|1,0,1]=4 4400 B13R0.429 CC[C@H](C)CSCC(=O)CC(=O)OC 62a_100009816398_100000210525 [0,2,0,0,0,0|1,0,1]=4 4401 B13R0.429 CC[C@H](C)CSCC(=O)NC(=O)OC 62a_100009816398_100000010850 [0,2,0,0,0,0|2,0,0]=4 4402 B13R0.429 COC(=O)/C=C/CN(C)CC(O)CO 2230a_100011216503_100000742655 [0,2,0,0,0,0|2,0,0]=4 4403 B13R0.429 COC(=O)/C=C/CN(C)CC(O)CO 269982a_100011216503_100000742655 [0,2,0,0,0,0|2,0,0]=4 4404 B13R0.462 CCCCC(C)(C)COCC(=O)OC 7a_200011995781_100000747449 [0,2,0,0,0,0|1,0,1]=4 4405 B13R0.17 CCCC(C)SCC(=O)CC(=O)OC 62a_100000210525_100000766640 [0,2,0,0,0,0|1,0,1]=4 4406 B13R0.17 CCCC(C)SCC(=O)CC(=O)OC 62a_100000766640_100000210525 [0,2,0,0,0,0|1,0,1]=4 4407 B13R0.17 CCCC(C)SCC(=O)NC(=O)OC 62a_100000766640_100000010850 [0,2,0,0,0,0|2,0,0]=4 4408 B13R0.71 CCC(=CC(=O)CCCCC(C)C)C 1458a_100020758463_100011216152 [0,2,0,0,0,0|2,0,0]=4 4409 B13R0.71 CCC(=O)CC(=O)CCCCC(C)C 1458a_100011933920_100000747405 [0,2,0,0,0,0|1,0,1]=4 4410 B13R0.71 CNC(=O)CC(=O)CCCCC(C)C 1458a_100011933920_100000183359 [0,2,0,0,0,0|1,0,1]=4 4411 B13R0.71 COC(=O)CC(=O)CCCCC(=O)C 1458a_100000211351_100000735457 [0,2,0,0,0,0|0,0,2]=4 4412 B13R0.71 COC(=O)CC(=O)CCCCC(C)C 1458a_100000211351_100011216152 [0,2,0,0,0,0|0,0,1]=3 4413 B13R0.71 COC(=O)CC(=O)CCCCC(C)C 1458a_100011933920_100000747449 [0,2,0,0,0,0|0,0,1]=3 4414 B13R0.71 COC(=O)CC(=O)CSCCC(C)C 62a_100000210312_100000210525 [0,2,0,0,0,0|1,0,1]=4 4415 B13R0.71 COC(=O)CC(=O)CSCCC(C)C 62a_100000210525_100000210312 [0,2,0,0,0,0|1,0,1]=4 4416 B13R0.71 COC(=O)CC(=O)CSCCC(C)O 62a_100000210525_100012276601 [0,2,0,0,0,0|1,0,1]=4 4417 B13R0.71 COC(=O)CC(=O)CSCCC(C)O 62a_100012276601_100000210525 [0,2,0,0,0,0|1,0,1]=4 4418 B13R0.71 COC(=O)CC(=O)NCCCC(C)C 240690a_200000737386_100000211351 [0,2,0,0,0,0|1,0,1]=4 4419 B13R0.71 COC(=O)CN(C)CCCCC(C)C 2230a_100000198492_100011216152 [0,2,0,0,0,0|1,0,1]=4 4420 B13R0.71 COC(=O)NC(=O)CSCCC(C)C 62a_100000210312_100000010850 [0,2,0,0,0,0|2,0,0]=4 4421 B13R0.71 COC(=O)NC(=O)CSCCC(C)O 62a_100012276601_100000010850 [0,2,0,0,0,0|2,0,0]=4 4422 B13R0.151 CCCCCC(C)C(=O)C=C(C)CC 1458a_100020758463_200011218191 [0,2,0,0,0,0|2,0,0]=4 4423 B13R0.151 CCCCCC(C)C(=O)CC(=O)CC 1458a_100011215998_100000747405 [0,2,0,0,0,0|1,0,1]=4 4424 B13R0.151 CCCCCC(C)C(=O)CC(=O)NC 1458a_100011215998_100000183359 [0,2,0,0,0,0|1,0,1]=4 4425 B13R0.151 CCCCCC(C)C(=O)CC(=O)OC 1458a_100000211351_200011218191 [0,2,0,0,0,0|0,0,1]=3 4426 B13R0.151 CCCCCC(C)C(=O)CC(=O)OC 1458a_100011215998_100000747449 [0,2,0,0,0,0|0,0,1]=3 4427 B13R0.151 CCCCCC(C)N(C)CC(=O)OC 2230a_100000198492_200011218191 [0,2,0,0,0,0|1,0,1]=4 4428 B13R0.151 CCCCCC(C)N(C)CC(=O)OC 270004a_100000198492_100000211708 [0,2,0,0,0,0|1,0,1]=4 4429 B13R0.151 CCCCCN(C)C(=O)CC(=O)OC 240690a_100000223495_100000211351 [0,2,0,0,0,0|1,0,1]=4 4430 B13R0.151 CCCCSC(C)C(=O)CC(=O)OC 1458a_100000191163_100000747449 [0,2,0,0,0,0|1,0,1]=4 4431 B13R0.151 CCCCSC(C)C(=O)CC(=O)OC 62a_100000210211_100009997173 [0,2,0,0,0,0|1,0,1]=4 4432 B13R0.151 CCCCSC(C)C(=O)CC(=O)OC 62a_100009997173_100000210210 [0,2,0,0,0,0|1,0,1]=4 4433 B13R0.274 C#CCCCCCC(=O)CC(=O)OC 1458a_100000211351_100012094781 [0,2,0,0,0,0|0,0,2]=4 4434 B13R0.274 C#CCCCCCC(=O)CC(=O)OC 1458a_100000694772_100000747449 [0,2,0,0,0,0|0,0,2]=4 4435 B13R0.274 C=CCCCCCC(=O)CC(=O)OC 1458a_100000211351_100000700193 [0,2,0,0,0,0|0,0,2]=4 4436 B13R0.274 C=CCCCCCC(=O)CC(=O)OC 1458a_100011934241_100000747449 [0,2,0,0,0,0|0,0,2]=4 4437 B13R0.274 CCC(=CC(=O)CCCCCCF)C 1458a_100020758463_100015922095 [0,2,0,0,0,0|2,0,0]=4 4438 B13R0.274 CCC(=CC(=O)CCCCCCO)C 1458a_100020758463_100000766143 [0,2,0,0,0,0|2,0,0]=4 4439 B13R0.274 CCC(=O)CC(=O)CCCCCCO 1458a_100011996774_100000747405 [0,2,0,0,0,0|1,0,1]=4 4440 B13R0.274 CCC(=O)CC(=O)CCCCCOC 1458a_100011935119_100000747405 [0,2,0,0,0,0|1,0,1]=4 4441 B13R0.274 CCCC/C=C/CC(=O)CC(=O)OC 1458a_200016282684_100000747449 [0,2,0,0,0,0|0,0,2]=4 4442 B13R0.274 CCCCCC#CC(=O)CC(=O)OC 1458a_100011215388_100000747449 [0,2,0,0,0,0|0,0,2]=4 4443 B13R0.274 CCCCCC=CC(=O)CC(=O)CC 1458a_100016263427_100000747405 [0,2,0,0,0,0|1,0,1]=4 4444 B13R0.274 CCCCCC=CC(=O)CC(=O)NC 1458a_100016263427_100000183359 [0,2,0,0,0,0|1,0,1]=4 4445 B13R0.274 CCCCCC=CC(=O)CC(=O)OC 1458a_100016263427_100000747449 [0,2,0,0,0,0|0,0,1]=3 4446 B13R0.274 CCCCCCCC(=O)C=C(C)CC 1458a_100020758463_100000210614 [0,2,0,0,0,0|2,0,0]=4 4447 B13R0.274 CCCCCCCC(=O)CC(=O)CC 1458a_100000211969_100000747405 [0,2,0,0,0,0|1,0,1]=4 4448 B13R0.274 CCCCCCCC(=O)CC(=O)NC 1458a_100000211969_100000183359 [0,2,0,0,0,0|1,0,1]=4 4449 B13R0.274 CCCCCCCC(=O)CC(=O)OC 1458a_100000211351_100000210614 [0,2,0,0,0,0|0,0,1]=3 4450 B13R0.274 CCCCCCCC(=O)CC(=O)OC 1458a_100000211969_100000747449 [0,2,0,0,0,0|0,0,1]=3 4451 B13R0.274 CCCCCCCN(C)CC(=O)OC 2230a_100000198492_100000210681 [0,2,0,0,0,0|0,0,2]=4 4452 B13R0.274 CCCCCCCN(C)CC(=O)OC 2230a_100000228206_100000747449 [0,2,0,0,0,0|0,0,2]=4 4453 B13R0.274 CCCCCCCN(C)CC(=O)OC 269982a_100000228206_100000747449 [0,2,0,0,0,0|0,0,2]=4 4454 B13R0.274 CCCCCCNC(=O)C=C(C)CC 11a_100000210581_100020758463 [0,2,0,0,0,0|2,0,0]=4 4455 B13R0.274 CCCCCCNC(=O)C=C(C)CC 1626a_100000210581_100020758463 [0,2,0,0,0,0|2,0,0]=4 4456 B13R0.274 CCCCCCNC(=O)C=C(C)CC 240690a_100000210581_100020758463 [0,2,0,0,0,0|2,0,0]=4 4457 B13R0.274 CCCCCCNC(=O)CC(=O)CC 1458a_100000210414_100000230325 [0,2,0,0,0,0|1,0,1]=4 4458 B13R0.274 CCCCCCNC(=O)CC(=O)OC 240690a_100000210581_100000211351 [0,2,0,0,0,0|0,0,1]=3 4459 B13R0.274 CCCCCCNC(C)CC(=O)OC 2230a_100000210581_100009817358 [0,2,0,0,0,0|0,0,2]=4 4460 B13R0.274 CCCCCCOC(C)CC(=O)OC 34a_100000210259_100009817358 [0,2,0,0,0,0|0,0,2]=4 4461 B13R0.274 CCCCCCOC(C)CC(=O)OC 7a_100000210259_100009817358 [0,2,0,0,0,0|0,0,2]=4 4462 B13R0.274 CCCCCCSC(C)CC(=O)OC 62a_100000210314_100009817358 [0,2,0,0,0,0|0,0,2]=4 4463 B13R0.274 CCCCCCSC(C)CC(=O)OC 62a_100009817358_100000210757 [0,2,0,0,0,0|0,0,2]=4 4464 B13R0.274 CCCCCNN=C(C)CC(=O)OC 4a_100000694160_100000210079 [0,2,0,0,0,0|1,0,1]=4 4465 B13R0.274 CCCCCNNC(=O)CC(=O)OC 22a_100000694160_100000211351 [0,2,0,0,0,0|1,0,1]=4 4466 B13R0.274 CCCCCOC[C@H](O)CC(=O)OC 34a_100000210253_100000754131 [0,2,0,0,0,0|0,0,2]=4 4467 B13R0.274 CCCCCOC[C@H](O)CC(=O)OC 7a_100000210253_100000754131 [0,2,0,0,0,0|0,0,2]=4 4468 B13R0.274 CCCCCSCC(=O)CC(=O)OC 62a_100000210326_100000210525 [0,2,0,0,0,0|0,0,1]=3 4469 B13R0.274 CCCCCSCC(=O)CC(=O)OC 62a_100000210525_100000210326 [0,2,0,0,0,0|0,0,1]=3 4470 B13R0.274 CCCCCSCC(=O)NC(=O)OC 62a_100000210326_100000010850 [0,2,0,0,0,0|1,0,0]=3 4471 B13R0.274 CCCCCSC[C@H](O)CC(=O)OC 62a_100000210326_100000754131 [0,2,0,0,0,0|0,0,2]=4 4472 B13R0.274 CCCCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000210326 [0,2,0,0,0,0|0,0,2]=4 4473 B13R0.274 CCCCOCCC(=O)C=C(C)CC 1458a_100020758463_100000743108 [0,2,0,0,0,0|2,0,0]=4 4474 B13R0.274 CCCCOCCC(=O)CC(=O)OC 1458a_100000211351_100000743108 [0,2,0,0,0,0|0,0,1]=3 4475 B13R0.274 CCCCOCCN(C)CC(=O)OC 2230a_100000198492_100000743108 [0,2,0,0,0,0|1,0,1]=4 4476 B13R0.274 CCCOCCNC(=O)CC(=O)OC 240690a_100161115042_100000211351 [0,2,0,0,0,0|1,0,1]=4 4477 B13R0.274 CCCSCCNC(=O)CC(=O)OC 240690a_100020603323_100000211351 [0,2,0,0,0,0|1,0,1]=4 4478 B13R0.274 CCOCCCNC(=O)CC(=O)OC 240690a_100000210961_100000211351 [0,2,0,0,0,0|1,0,1]=4 4479 B13R0.274 CCOCCSCC(=O)CC(=O)OC 62a_100000210147_100000210525 [0,2,0,0,0,0|1,0,1]=4 4480 B13R0.274 CCOCCSCC(=O)CC(=O)OC 62a_100000210525_100011215890 [0,2,0,0,0,0|1,0,1]=4 4481 B13R0.274 CCOCCSCC(=O)NC(=O)OC 62a_100000210147_100000010850 [0,2,0,0,0,0|2,0,0]=4 4482 B13R0.274 CCSCCSCC(=O)CC(=O)OC 62a_100000210525_100000757381 [0,2,0,0,0,0|1,0,1]=4 4483 B13R0.274 CCSCCSCC(=O)CC(=O)OC 62a_100000757381_100000210525 [0,2,0,0,0,0|1,0,1]=4 4484 B13R0.274 CCSCCSCC(=O)NC(=O)OC 62a_100000757381_100000010850 [0,2,0,0,0,0|2,0,0]=4 4485 B13R0.274 CNC(=O)CC(=O)CCCCCCO 1458a_100011996774_100000183359 [0,2,0,0,0,0|1,0,1]=4 4486 B13R0.274 CNC(=O)CC(=O)CCCCCOC 1458a_100011935119_100000183359 [0,2,0,0,0,0|1,0,1]=4 4487 B13R0.274 COC(=O)CC(=O)CCCCCC#N 1458a_100000211351_100009813376 [0,2,0,0,0,0|0,0,2]=4 4488 B13R0.274 COC(=O)CC(=O)CCCCCCF 1458a_100000211351_100015922095 [0,2,0,0,0,0|0,0,1]=3 4489 B13R0.274 COC(=O)CC(=O)CCCCCCO 1458a_100000211351_100000766143 [0,2,0,0,0,0|0,0,1]=3 4490 B13R0.274 COC(=O)CC(=O)CCCCCCO 1458a_100011996774_100000747449 [0,2,0,0,0,0|0,0,1]=3 4491 B13R0.274 COC(=O)CC(=O)CSCCCCF 62a_100000210525_100000729493 [0,2,0,0,0,0|1,0,1]=4 4492 B13R0.274 COC(=O)CC(=O)CSCCCCF 62a_100000729493_100000210525 [0,2,0,0,0,0|1,0,1]=4 4493 B13R0.274 COC(=O)CC(=O)CSCCCCO 62a_100000210525_100000210776 [0,2,0,0,0,0|1,0,1]=4 4494 B13R0.274 COC(=O)CC(=O)CSCCCCO 62a_100000210776_100000210525 [0,2,0,0,0,0|1,0,1]=4 4495 B13R0.274 COC(=O)CC(=O)NCCCCCO 240690a_100000762737_100000211351 [0,2,0,0,0,0|1,0,1]=4 4496 B13R0.274 COC(=O)CN(C)CCCCCCF 2230a_100000198492_100015922095 [0,2,0,0,0,0|1,0,1]=4 4497 B13R0.274 COC(=O)CN(C)CCCCCCO 2230a_100000198492_100000766143 [0,2,0,0,0,0|1,0,1]=4 4498 B13R0.274 COC(=O)NC(=O)CSCCCCF 62a_100000729493_100000010850 [0,2,0,0,0,0|2,0,0]=4 4499 B13R0.274 COC(=O)NC(=O)CSCCCCO 62a_100000210776_100000010850 [0,2,0,0,0,0|2,0,0]=4 4500 B13R0.274 COCCCCCC(=O)CC(=O)OC 1458a_100011935119_100000747449 [0,2,0,0,0,0|0,0,1]=3 4501 B13R0.274 COCCCSCC(=O)CC(=O)OC 62a_100000210525_100000709357 [0,2,0,0,0,0|1,0,1]=4 4502 B13R0.274 COCCCSCC(=O)CC(=O)OC 62a_100000709357_100000210525 [0,2,0,0,0,0|1,0,1]=4 4503 B13R0.274 COCCCSCC(=O)NC(=O)OC 62a_100000709357_100000010850 [0,2,0,0,0,0|2,0,0]=4 4504 B13R0.274 COCCOCCC(=O)CC(=O)OC 1458a_100000211351_100000695917 [0,2,0,0,0,0|1,0,1]=4 4505 B13R0.274 COCCOCCC(=O)CC(=O)OC 1458a_100000745395_100000747449 [0,2,0,0,0,0|1,0,1]=4 4506 B13R0.284 CCCCCCC(=O)CC(=O)C(=O)C 1458a_100102632555_100011261029 [0,2,0,0,0,0|1,0,1]=4 4507 B13R0.284 CCCCCCC(=O)CC(=O)C(C)C 1458a_100102632555_100000753385 [0,2,0,0,0,0|1,0,1]=4 4508 B13R0.284 CCCCCCC(=O)CC(=O)N(C)C 1458a_100102632555_100000185267 [0,2,0,0,0,0|1,0,1]=4 4509 B13R0.287 CCCCCCC(CC(=O)OC)OC 7a_100000076500_200000210301 [0,2,0,0,0,0|0,0,2]=4 4510 B13R0.287 CCCCCCC(CC(=O)OC)O[13CH3] 7a_100000076500_200025704644 [0,2,0,0,0,0|0,0,2]=4 4511 B13R0.287 CCCCNC/C(=C\C(=O)OC)/OC 2230a_100000102301_100016998490 [0,2,0,0,0,0|1,0,0]=3 4512 B13R0.287 CCCCOC/C(=C\C(=O)OC)/OC 34a_100000210227_100016998490 [0,2,0,0,0,0|1,0,0]=3 4513 B13R0.287 CCCCSC/C(=C\C(=O)OC)/OC 62a_100000210211_100016998490 [0,2,0,0,0,0|1,0,0]=3 4514 B13R0.287 CCCCSC/C(=C\C(=O)OC)/OC 62a_100016998490_100000210210 [0,2,0,0,0,0|1,0,0]=3 4515 B13R0.287 CCOCSC/C(=C\C(=O)OC)/OC 62a_100000739092_100016998490 [0,2,0,0,0,0|2,0,0]=4 4516 B13R0.287 CCOCSC/C(=C\C(=O)OC)/OC 62a_100016998490_100000739092 [0,2,0,0,0,0|2,0,0]=4 4517 B13R0.287 COC(=O)/C=C(\CNCCCF)/OC 2230a_100015189416_100016998490 [0,2,0,0,0,0|2,0,0]=4 4518 B13R0.287 COC(=O)/C=C(\CNCCCF)/OC 34a_100015189416_100016998490 [0,2,0,0,0,0|2,0,0]=4 4519 B13R0.287 COC(=O)/C=C(\CNCCSC)/OC 2230a_100020590264_100016998490 [0,2,0,0,0,0|2,0,0]=4 4520 B13R0.287 COC(=O)/C=C(\COCCCBr)/OC 34a_100011217188_100016998490 [0,2,0,0,0,0|2,0,0]=4 4521 B13R0.287 COC(=O)/C=C(\COCCCCl)/OC 34a_100000230001_100016998490 [0,2,0,0,0,0|2,0,0]=4 4522 B13R0.287 COC(=O)/C=C(\COCCCF)/OC 34a_100000759539_100016998490 [0,2,0,0,0,0|2,0,0]=4 4523 B13R0.287 COC(=O)/C=C(\COCCCN)/OC 34a_100000182051_100016998490 [0,2,0,0,0,0|2,0,0]=4 4524 B13R0.287 COC(=O)/C=C(\COCCSC)/OC 34a_100000230434_100016998490 [0,2,0,0,0,0|2,0,0]=4 4525 B13R0.287 COC(=O)/C=C(\CSCCCF)/OC 62a_100011934791_100016998490 [0,2,0,0,0,0|2,0,0]=4 4526 B13R0.287 COC(=O)/C=C(\CSCCCF)/OC 62a_100016998490_100011934791 [0,2,0,0,0,0|2,0,0]=4 4527 B13R0.287 COC(=O)/C=C(\CSCCCO)/OC 62a_100011215043_100016998490 [0,2,0,0,0,0|2,0,0]=4 4528 B13R0.287 COC(=O)/C=C(\CSCCCO)/OC 62a_100016998490_100011215043 [0,2,0,0,0,0|2,0,0]=4 4529 B13R0.287 COC(=O)/C=C(\CSCCSC)/OC 62a_100000212216_100016998490 [0,2,0,0,0,0|2,0,0]=4 4530 B13R0.287 COC(=O)/C=C(\CSCCSC)/OC 62a_100016998490_100000751147 [0,2,0,0,0,0|2,0,0]=4 4531 B13R0.287 COCCNC/C(=C\C(=O)OC)/OC 2230a_100000209980_100016998490 [0,2,0,0,0,0|2,0,0]=4 4532 B13R0.287 COCCOC/C(=C\C(=O)OC)/OC 34a_100000210237_100016998490 [0,2,0,0,0,0|2,0,0]=4 4533 B13R0.287 COCCSC/C(=C\C(=O)OC)/OC 62a_100000233755_100016998490 [0,2,0,0,0,0|2,0,0]=4 4534 B13R0.287 COCCSC/C(=C\C(=O)OC)/OC 62a_100016998490_100000233755 [0,2,0,0,0,0|2,0,0]=4 4535 B13R0.339 CCCCCC(=O)C=CC(=O)N(C)C 1458a_100011200747_100000210326 [0,2,0,0,0,0|1,0,1]=4 4536 B13R0.493 CNC(=O)C=CC(=O)CCCC(C)C 1458a_100016259477_100011214892 [0,2,0,0,0,0|1,0,1]=4 4537 B13R0.493 CNC(=O)C=CC(=O)CCCC(C)O 1458a_100016259477_200000718107 [0,2,0,0,0,0|1,0,1]=4 4538 B13R0.493 COC(=O)C=CC(=O)NCCC(C)C 1626a_100000210545_100016283253 [0,2,0,0,0,0|1,0,1]=4 4539 B13R0.493 COC(=O)CNC(C)CCCC(C)C 2230a_100000210607_100000747449 [0,2,0,0,0,0|1,0,1]=4 4540 B13R0.493 COC(=O)COC(C)CCCC(C)C 34a_200011218570_100000747449 [0,2,0,0,0,0|1,0,1]=4 4541 B13R0.493 COC(=O)COC(C)CCCC(C)C 7a_200011218570_100000747449 [0,2,0,0,0,0|1,0,1]=4 4542 B13R0.961 CCC(C)CCC(C)OCC(=O)OC 7a_200011216552_100000747449 [0,2,0,0,0,0|1,0,1]=4 4543 B13R0.961 CCC(C)CNC(=O)C=CC(=O)OC 1626a_100020588543_100016283253 [0,2,0,0,0,0|1,0,1]=4 4544 B13R0.1052 C#CC(CCCCC)OCC(=O)OC 34a_100011216489_100000747449 [0,2,0,0,0,0|1,0,1]=4 4545 B13R0.1052 C#CC(CCCCC)OCC(=O)OC 7a_100011216489_100000747449 [0,2,0,0,0,0|1,0,1]=4 4546 B13R0.1052 C=CC(CCCCC)OCC(=O)OC 34a_100011216863_100000747449 [0,2,0,0,0,0|1,0,1]=4 4547 B13R0.1052 C=CC(CCCCC)OCC(=O)OC 7a_100011216863_100000747449 [0,2,0,0,0,0|1,0,1]=4 4548 B13R0.1052 CCCCCC(CC)OCC(=O)OC 34a_100011215405_100000747449 [0,2,0,0,0,0|1,0,1]=4 4549 B13R0.1052 CCCCCC(CC)OCC(=O)OC 7a_100011215405_100000747449 [0,2,0,0,0,0|1,0,1]=4 4550 B13R0.1170 CC=C(C)C=CC(=O)CCCCCC 1458a_100000692105_100000210757 [0,2,0,0,0,0|2,0,0]=4 4551 B13R0.1170 CCCCCCC(=NNC(=O)CC)C 4a_100000183195_100000210826 [0,2,0,0,0,0|2,0,0]=4 4552 B13R0.1170 CCCCCCC(=O)C=CC(=O)NC 1458a_100016259477_100000210757 [0,2,0,0,0,0|1,0,0]=3 4553 B13R0.1170 CCCCCCC(=O)CCC(=O)NC 1458a_100011309844_100000210757 [0,2,0,0,0,0|1,0,1]=4 4554 B13R0.1170 CCCCCCC(=O)CCC(=O)OC 1458a_100000187943_100000210757 [0,2,0,0,0,0|0,0,1]=3 4555 B13R0.1170 CCCCCCC(=O)CNC(=O)CC 1458a_100000194589_100000210757 [0,2,0,0,0,0|1,0,1]=4 4556 B13R0.1170 CCCCCCC(=O)CNC(=O)OC 1458a_100000215747_100000210757 [0,2,0,0,0,0|0,0,1]=3 4557 B13R0.1170 CCCCCCC(=O)NCC(=O)NC 11a_100000693194_100102632555 [0,2,0,0,0,0|1,0,1]=4 4558 B13R0.1170 CCCCCCC(=O)NCC(=O)NC 240690a_100000693194_100102632555 [0,2,0,0,0,0|1,0,1]=4 4559 B13R0.1170 CCCCCCC(=O)NCC(=O)NC 527a_100000693194_100102632555 [0,2,0,0,0,0|1,0,1]=4 4560 B13R0.1170 CCCCCCC(=O)NCC(=O)OC 188690a_100000185156_100102632555 [0,2,0,0,0,0|0,0,1]=3 4561 B13R0.1170 CCCCCCC(=O)NNC(=O)CC 22a_100000183195_100102632555 [0,2,0,0,0,0|2,0,0]=4 4562 B13R0.1170 CCCCCCC(=O)NNC(=O)CC 22a_100011221127_100000210414 [0,2,0,0,0,0|2,0,0]=4 4563 B13R0.1170 CCCCCCC(=O)NNC(=O)NC 273464a_100102657272_100011221127 [0,2,0,0,0,0|2,0,0]=4 4564 B13R0.1170 CCCCCCC(=O)NNC(=O)NC 512a_100011221127_100102657272 [0,2,0,0,0,0|2,0,0]=4 4565 B13R0.1170 CCCCCCC(=O)NNC(=O)NC 512a_106832991638_100011221127 [0,2,0,0,0,0|2,0,0]=4 4566 B13R0.1170 CCCCCCC(C)NCC(=O)OC 2230a_100000210919_100000747449 [0,2,0,0,0,0|0,0,2]=4 4567 B13R0.1170 CCCCCCC(C)NCC(=O)OC 34a_100000210919_100000747449 [0,2,0,0,0,0|0,0,2]=4 4568 B13R0.1170 CCCCCCC(C)OCC(=O)OC 34a_100000210265_100000747449 [0,2,0,0,0,0|0,0,2]=4 4569 B13R0.1170 CCCCCCC(C)OCC(=O)OC 7a_100000210265_100000747449 [0,2,0,0,0,0|0,0,2]=4 4570 B13R0.1170 CCCCCCC(C)SCC(=O)OC 62a_100000747449_100011215978 [0,2,0,0,0,0|0,0,2]=4 4571 B13R0.1170 CCCCCCC(C)SCC(=O)OC 62a_100011215978_100000747449 [0,2,0,0,0,0|0,0,2]=4 4572 B13R0.1170 CCCCCCN(C)CCC(=O)OC 2230a_106256046315_100000204255 [0,2,0,0,0,0|0,0,2]=4 4573 B13R0.1170 CCCCCCN(C)CCC(=O)OC 269982a_100025711912_100000210757 [0,2,0,0,0,0|0,0,2]=4 4574 B13R0.1170 CCCCCCN(C)CCC(=O)OC 269982a_106256046315_100000204255 [0,2,0,0,0,0|0,0,2]=4 4575 B13R0.1170 CCCCCNC(=O)C=CC(=O)NC 1626a_100000209983_100016259477 [0,2,0,0,0,0|1,0,1]=4 4576 B13R0.1170 CCCCCNC(=O)C=CC(=O)OC 1626a_100000209983_100016283253 [0,2,0,0,0,0|0,0,1]=3 4577 B13R0.1170 CCCCCNC(=O)CCC(=O)OC 11a_100000209983_100000187943 [0,2,0,0,0,0|1,0,1]=4 4578 B13R0.1170 CCCCCNC(=O)CCC(=O)OC 1626a_100000209983_100000187943 [0,2,0,0,0,0|1,0,1]=4 4579 B13R0.1170 CCCCCNC(=O)CCC(=O)OC 240690a_100000209983_100000187943 [0,2,0,0,0,0|1,0,1]=4 4580 B13R0.1170 CCCCCNC(=O)CCC(=O)OC 527a_100000209983_100000187943 [0,2,0,0,0,0|1,0,1]=4 4581 B13R0.1170 CCCCCNC(=O)CNC(=O)OC 11a_100000209983_100000215747 [0,2,0,0,0,0|1,0,1]=4 4582 B13R0.1170 CCCCCNC(=O)CNC(=O)OC 1626a_100000209983_100000215747 [0,2,0,0,0,0|1,0,1]=4 4583 B13R0.1170 CCCCCNC(=O)CNC(=O)OC 240690a_100000209983_100000215747 [0,2,0,0,0,0|1,0,1]=4 4584 B13R0.1170 CCCCCNC(=O)CNC(=O)OC 527a_100000209983_100000215747 [0,2,0,0,0,0|1,0,1]=4 4585 B13R0.1170 CCCCNCC(=O)CCC(=O)OC 2230a_100000102301_100000691467 [0,2,0,0,0,0|1,0,1]=4 4586 B13R0.1170 CCCCNCC(=O)CCC(=O)OC 7a_106832991798_100000691467 [0,2,0,0,0,0|1,0,1]=4 4587 B13R0.1170 CCCCNCC(=O)NCC(=O)OC 2230a_100000102301_100000182966 [0,2,0,0,0,0|1,0,1]=4 4588 B13R0.1170 CCCCNCC(=O)NCC(=O)OC 7a_106832991798_100000182966 [0,2,0,0,0,0|1,0,1]=4 4589 B13R0.1170 CCCCNN=C(C)C=CC(=O)OC 4a_100025702795_100016258046 [0,2,0,0,0,0|1,0,1]=4 4590 B13R0.1170 CCCCNNC(=O)C=CC(=O)OC 22a_100025702795_100016283253 [0,2,0,0,0,0|1,0,1]=4 4591 B13R0.1170 CCCCOCC(=O)C=CC(=O)NC 1458a_100016259477_100011995733 [0,2,0,0,0,0|1,0,1]=4 4592 B13R0.1170 CCCCOCC(=O)CCC(=O)OC 1458a_100000187943_100011995733 [0,2,0,0,0,0|1,0,1]=4 4593 B13R0.1170 CCCCOCC(=O)CCC(=O)OC 34a_100000210227_100000691467 [0,2,0,0,0,0|1,0,1]=4 4594 B13R0.1170 CCCCOCC(=O)CCC(=O)OC 7a_100000210227_100000691467 [0,2,0,0,0,0|1,0,1]=4 4595 B13R0.1170 CCCCOCC(=O)CNC(=O)OC 1458a_100000215747_100011995733 [0,2,0,0,0,0|1,0,1]=4 4596 B13R0.1170 CCCCOCC(=O)NCC(=O)OC 188690a_100000185156_100000757543 [0,2,0,0,0,0|1,0,1]=4 4597 B13R0.1170 CCCCOCC(=O)NCC(=O)OC 34a_100000210227_100000182966 [0,2,0,0,0,0|1,0,1]=4 4598 B13R0.1170 CCCCOCC(=O)NCC(=O)OC 7a_100000210227_100000182966 [0,2,0,0,0,0|1,0,1]=4 4599 B13R0.1170 CCCCOCC(C)OCC(=O)OC 34a_100011217071_100000747449 [0,2,0,0,0,0|1,0,1]=4 4600 B13R0.1170 CCCCOCC(C)OCC(=O)OC 7a_100011217071_100000747449 [0,2,0,0,0,0|1,0,1]=4 4601 B13R0.1170 CCCCSCC(=O)CCC(=O)OC 62a_100000210211_100000691467 [0,2,0,0,0,0|1,0,1]=4 4602 B13R0.1170 CCCCSCC(=O)CCC(=O)OC 62a_100000691467_100000210210 [0,2,0,0,0,0|1,0,1]=4 4603 B13R0.1170 CCCCSCC(=O)NCC(=O)OC 188690a_100000185156_100000191162 [0,2,0,0,0,0|1,0,1]=4 4604 B13R0.1170 CCCCSCC(=O)NCC(=O)OC 62a_100000182966_100000210210 [0,2,0,0,0,0|1,0,1]=4 4605 B13R0.1170 CCCCSCC(=O)NCC(=O)OC 62a_100000210211_100000182966 [0,2,0,0,0,0|1,0,1]=4 4606 B13R0.1170 CCCOCCC(=O)C=CC(=O)NC 1458a_100016259477_100011215938 [0,2,0,0,0,0|1,0,1]=4 4607 B13R0.1170 CCCOCCC(=O)CCC(=O)OC 1458a_100000187943_100011215938 [0,2,0,0,0,0|1,0,1]=4 4608 B13R0.1170 CCCOCCC(=O)CNC(=O)OC 1458a_100000215747_100011215938 [0,2,0,0,0,0|1,0,1]=4 4609 B13R0.1170 CCOCCCC(=O)C=CC(=O)NC 1458a_100016259477_100012232248 [0,2,0,0,0,0|1,0,1]=4 4610 B13R0.1170 CCOCCCC(=O)CCC(=O)OC 1458a_100000187943_100012232248 [0,2,0,0,0,0|1,0,1]=4 4611 B13R0.1170 CCOCCCC(=O)CNC(=O)OC 1458a_100000215747_100012232248 [0,2,0,0,0,0|1,0,1]=4 4612 B13R0.1170 CCOCCNC(=O)C=CC(=O)OC 1626a_102516460346_100016283253 [0,2,0,0,0,0|1,0,1]=4 4613 B13R0.1170 CCSCCNC(=O)C=CC(=O)OC 1626a_100000106463_100016283253 [0,2,0,0,0,0|1,0,1]=4 4614 B13R0.1170 CNC(=O)C=CC(=O)CCCCCF 1458a_100016259477_100000729378 [0,2,0,0,0,0|1,0,1]=4 4615 B13R0.1170 CNC(=O)C=CC(=O)CCCCCO 1458a_100016259477_100000746330 [0,2,0,0,0,0|1,0,1]=4 4616 B13R0.1170 CNC(=O)C=CC(=O)CCCCOC 1458a_100016259477_100000755781 [0,2,0,0,0,0|1,0,1]=4 4617 B13R0.1170 COC(=O)C=CC(=O)NCCCSC 1626a_100000749238_100016283253 [0,2,0,0,0,0|1,0,1]=4 4618 B13R0.1170 COC(=O)CCC(=O)CCCCCF 1458a_100000187943_100000729378 [0,2,0,0,0,0|1,0,1]=4 4619 B13R0.1170 COC(=O)CCC(=O)CCCCCO 1458a_100000187943_100000746330 [0,2,0,0,0,0|1,0,1]=4 4620 B13R0.1170 COC(=O)CNC(=O)CCCCCO 188690a_100000185156_100102619762 [0,2,0,0,0,0|1,0,1]=4 4621 B13R0.1170 COC(=O)NCC(=O)CCCCCF 1458a_100000215747_100000729378 [0,2,0,0,0,0|1,0,1]=4 4622 B13R0.1170 COC(=O)NCC(=O)CCCCCO 1458a_100000215747_100000746330 [0,2,0,0,0,0|1,0,1]=4 4623 B13R0.1170 COCCCCC(=O)CCC(=O)OC 1458a_100000187943_100000755781 [0,2,0,0,0,0|1,0,1]=4 4624 B13R0.1170 COCCCCC(=O)CNC(=O)OC 1458a_100000215747_100000755781 [0,2,0,0,0,0|1,0,1]=4 4625 B13R0.1170 COCCCNC(=O)C=CC(=O)OC 1626a_100150723488_100016283253 [0,2,0,0,0,0|1,0,1]=4 4626 B13R0.1521 CCCC(C)CC(=O)C=CC(=O)NC 1458a_100016259477_100011216630 [0,2,0,0,0,0|1,0,1]=4 4627 B13R0.1521 CCCC(C)NC(=O)C=CC(=O)OC 1626a_100000741246_100016283253 [0,2,0,0,0,0|1,0,1]=4 4628 B13R0.204 COC(=O)/C=C/CNCC(O)C(C)C 2230a_100000759067_100000742655 [0,2,0,0,0,0|1,0,0]=3 4629 B13R0.204 COC(=O)/C=C/CNCC(O)C(C)C 34a_100000759067_100000742655 [0,2,0,0,0,0|1,0,0]=3 4630 B13R0.204 COC(=O)/C=C/COCC(C)C(=O)C 34a_100000032740_100000742655 [0,2,0,0,0,0|1,0,1]=4 4631 B13R0.204 COC(=O)/C=C/COCC(C)C(=O)C 7a_100000032740_100000742655 [0,2,0,0,0,0|1,0,1]=4 4632 B13R0.204 COC(=O)/C=C/COC[C@H](N)C(C)C 34a_100011830312_100000742655 [0,2,0,0,0,0|1,0,0]=3 4633 B13R0.204 COC(=O)/C=C/CSCC(=O)C(C)C 62a_100000742655_100000753385 [0,2,0,0,0,0|1,0,1]=4 4634 B13R0.204 COC(=O)/C=C/CSCC(=O)C(C)C 62a_100000753385_100000742655 [0,2,0,0,0,0|1,0,1]=4 4635 B13R0.952 CCC(C)(C)COC/C=C/C(=O)OC 7a_100000765029_100000742655 [0,2,0,0,0,0|1,0,0]=3 4636 B13R0.952 COC(=O)/C=C/CNCC(C)(C)CO 2230a_100020635058_100000742655 [0,2,0,0,0,0|2,0,0]=4 4637 B13R0.952 COC(=O)/C=C/CNCC(C)(C)OC 2230a_100000763424_100000742655 [0,2,0,0,0,0|2,0,0]=4 4638 B13R0.952 COC(=O)/C=C/COCC(C)(C)CCl 7a_100011217199_100000742655 [0,2,0,0,0,0|2,0,0]=4 4639 B13R0.952 COC(=O)/C=C/COCC(F)(F)CN 34a_100000703232_100000742655 [0,2,0,0,0,0|2,0,0]=4 4640 B13R0.952 COC(=O)/C=C/CSCC(C)(C)CO 62a_100000742655_100009813988 [0,2,0,0,0,0|2,0,0]=4 4641 B13R0.952 COC(=O)/C=C/CSCC(C)(C)CO 62a_100009813988_100000742655 [0,2,0,0,0,0|2,0,0]=4 4642 B13R0.952 COC(=O)/C=C/CSCC(C)(C)OC 62a_100000701081_100000742655 [0,2,0,0,0,0|2,0,0]=4 4643 B13R0.952 COC(=O)/C=C/CSCC(C)(C)OC 62a_100000742655_100000701081 [0,2,0,0,0,0|2,0,0]=4 4644 B13R0.198 COC(=O)/C=C/CNC(C)CC(C)C 2230a_100000692259_100000742655 [0,2,0,0,0,0|1,0,0]=3 4645 B13R0.198 COC(=O)/C=C/COC(C)CC(C)C 34a_100000211805_100000742655 [0,2,0,0,0,0|1,0,0]=3 4646 B13R0.198 COC(=O)/C=C/COC(C)CC(C)C 7a_100000211805_100000742655 [0,2,0,0,0,0|1,0,0]=3 4647 B13R0.198 COC(=O)/C=C/CSC(C)CC(C)C 62a_100000731052_100000742655 [0,2,0,0,0,0|1,0,0]=3 4648 B13R0.198 COC(=O)/C=C/CSC(C)CC(C)C 62a_100000742655_100000731052 [0,2,0,0,0,0|1,0,0]=3 4649 B13R0.198 COC(=O)/C=C/CSC(C)CN(C)C 62a_100000742655_100020606517 [0,2,0,0,0,0|2,0,0]=4 4650 B13R0.198 COC(=O)/C=C/CSC(C)CN(C)C 62a_100020606517_100000742655 [0,2,0,0,0,0|2,0,0]=4 4651 B13R0.198 COC(=O)COCC[C@@H](N)CC(C)C 34a_100161151251_100000747449 [0,2,0,0,0,0|1,0,1]=4 4652 B13R0.201 CCC(=O)CCCCCCC(=O)OC 1458a_100000036694_100000210202 [0,2,0,0,0,0|0,0,2]=4 4653 B13R0.201 CCC(=O)CCCCCCC(=O)OC 1458a_100000210414_100009815986 [0,2,0,0,0,0|0,0,2]=4 4654 B13R0.201 CCC(C)CCCOCCC(=O)OC 7a_100011216074_100000204255 [0,2,0,0,0,0|0,0,2]=4 4655 B13R0.201 CCC(C)CCNC/C=C/C(=O)OC 2230a_100020591266_100000742655 [0,2,0,0,0,0|0,0,0]=2 4656 B13R0.201 CCC(C)CCNCCCC(=O)OC 2230a_100020591266_100011218270 [0,2,0,0,0,0|0,0,2]=4 4657 B13R0.201 CCC(C)CCOC/C=C/C(=O)OC 7a_100011215188_100000742655 [0,2,0,0,0,0|0,0,0]=2 4658 B13R0.201 CCC(C)CCOCCCC(=O)OC 7a_100011215188_100011218270 [0,2,0,0,0,0|0,0,2]=4 4659 B13R0.201 CCC(C)CNCCCCC(=O)OC 2230a_100020588543_100000204269 [0,2,0,0,0,0|0,0,2]=4 4660 B13R0.201 CCC(C)CNCCOCC(=O)OC 2230a_100020588543_100000090808 [0,2,0,0,0,0|1,0,1]=4 4661 B13R0.201 CCC(C)COCCCCC(=O)OC 34a_100000059025_100000748023 [0,2,0,0,0,0|0,0,2]=4 4662 B13R0.201 CCC(C)COCCCCC(=O)OC 7a_100000059025_100000748023 [0,2,0,0,0,0|0,0,2]=4 4663 B13R0.201 CCC(C)CSCCCCC(=O)OC 62a_100000204269_100000748023 [0,2,0,0,0,0|0,0,2]=4 4664 B13R0.201 CCC(C)CSCCCCC(=O)OC 62a_100000748023_100000204269 [0,2,0,0,0,0|0,0,2]=4 4665 B13R0.201 CCC(C)CSCCOCC(=O)OC 62a_100000090808_100000748023 [0,2,0,0,0,0|1,0,1]=4 4666 B13R0.201 CCC(C)CSCCOCC(=O)OC 62a_100000748023_100000090808 [0,2,0,0,0,0|1,0,1]=4 4667 B13R0.201 CCC(C)NCCCCCC(=O)OC 2230a_100000209981_100009816466 [0,2,0,0,0,0|0,0,2]=4 4668 B13R0.201 CCC(C)OCCCCCC(=O)OC 34a_100000074720_100011215416 [0,2,0,0,0,0|0,0,2]=4 4669 B13R0.201 CCC(C)OCCCCCC(=O)OC 7a_100000074720_100000758301 [0,2,0,0,0,0|0,0,2]=4 4670 B13R0.201 CCC(C)OCCCCCC(=O)OC 7a_100000210228_100009816466 [0,2,0,0,0,0|0,0,2]=4 4671 B13R0.201 CCC(C)SCCCCCC(=O)OC 62a_100000758301_100009816466 [0,2,0,0,0,0|0,0,2]=4 4672 B13R0.201 CCC(C)SCCCCCC(=O)OC 62a_100009816466_100000758301 [0,2,0,0,0,0|0,0,2]=4 4673 B13R0.201 CCC(O)CNCCCCC(=O)OC 2230a_100011218483_100000204269 [0,2,0,0,0,0|0,0,2]=4 4674 B13R0.201 CCC(O)CNCCOCC(=O)OC 2230a_100011218483_100000090808 [0,2,0,0,0,0|1,0,1]=4 4675 B13R0.201 CCC(O)CNN=CC=CC(=O)OC 4a_100015206393_100016254430 [0,2,0,0,0,0|1,0,1]=4 4676 B13R0.201 CCC(O)COCCCCC(=O)OC 34a_100000059025_100011218378 [0,2,0,0,0,0|0,0,2]=4 4677 B13R0.201 CCC(O)COCCCCC(=O)OC 7a_100000059025_100011218378 [0,2,0,0,0,0|0,0,2]=4 4678 B13R0.201 CCC(O)CSCCCCC(=O)OC 62a_100000204269_100011218378 [0,2,0,0,0,0|0,0,2]=4 4679 B13R0.201 CCC(O)CSCCCCC(=O)OC 62a_100011218378_100000204269 [0,2,0,0,0,0|0,0,2]=4 4680 B13R0.201 CCC(O)CSCCOCC(=O)OC 62a_100000090808_100011218378 [0,2,0,0,0,0|1,0,1]=4 4681 B13R0.201 CCC(O)CSCCOCC(=O)OC 62a_100011218378_100000090808 [0,2,0,0,0,0|1,0,1]=4 4682 B13R0.201 CCN(C)CCCCCCC(=O)OC 2230a_100000225621_100009815986 [0,2,0,0,0,0|0,0,2]=4 4683 B13R0.201 CCN(C)CCCCCCC(=O)OC 269982a_100000225621_100009815986 [0,2,0,0,0,0|0,0,2]=4 4684 B13R0.201 CC[C@H](C)COCCCCC(=O)OC 34a_100000059025_100009816398 [0,2,0,0,0,0|0,0,2]=4 4685 B13R0.201 CC[C@H](C)COCCCCC(=O)OC 7a_100000059025_100009816398 [0,2,0,0,0,0|0,0,2]=4 4686 B13R0.201 CC[C@H](C)COCCCCC(=O)OC 7a_100009816381_100000204269 [0,2,0,0,0,0|0,0,2]=4 4687 B13R0.201 CC[C@H](C)COCCOCC(=O)OC 7a_100009816381_100000090808 [0,2,0,0,0,0|1,0,1]=4 4688 B13R0.201 CC[C@H](C)CSCCCCC(=O)OC 62a_100000204269_100009816398 [0,2,0,0,0,0|0,0,2]=4 4689 B13R0.201 CC[C@H](C)CSCCCCC(=O)OC 62a_100009816398_100000204269 [0,2,0,0,0,0|0,0,2]=4 4690 B13R0.201 CC[C@H](C)CSCCOCC(=O)OC 62a_100000090808_100009816398 [0,2,0,0,0,0|1,0,1]=4 4691 B13R0.201 CC[C@H](C)CSCCOCC(=O)OC 62a_100009816398_100000090808 [0,2,0,0,0,0|1,0,1]=4 4692 B13R0.201 CNC(=O)CCNC/C=C/C(=O)OC 2230a_100000738227_100000742655 [0,2,0,0,0,0|1,0,1]=4 4693 B13R0.201 CNC(=O)CCNC/C=C/C(=O)OC 34a_100000738227_100000742655 [0,2,0,0,0,0|1,0,1]=4 4694 B13R0.201 CNC(=O)CCOC/C=C/C(=O)OC 34a_100000754576_100000742655 [0,2,0,0,0,0|1,0,1]=4 4695 B13R0.201 CNC(=O)CCSC/C=C/C(=O)OC 62a_100000737683_100000742655 [0,2,0,0,0,0|1,0,1]=4 4696 B13R0.201 CNC(=O)CCSC/C=C/C(=O)OC 62a_100000742655_100000737683 [0,2,0,0,0,0|1,0,1]=4 4697 B13R0.201 COC(=O)/C=C/CNCCC(C)CO 2230a_106354213184_100000742655 [0,2,0,0,0,0|1,0,0]=3 4698 B13R0.201 COC(=O)/C=C/CNCCC(C)CO 34a_106354213184_100000742655 [0,2,0,0,0,0|1,0,0]=3 4699 B13R0.201 COC(=O)/C=C/COCCC(C)OC 7a_100000764861_100000742655 [0,2,0,0,0,0|1,0,0]=3 4700 B13R0.201 COC(=O)/C=C/CSCCC(=O)OC 62a_100000204255_100000742655 [0,2,0,0,0,0|1,0,1]=4 4701 B13R0.201 COC(=O)/C=C/CSCCC(=O)OC 62a_100000742655_100000204255 [0,2,0,0,0,0|1,0,1]=4 4702 B13R0.431 COC(=O)/C=C/CNCCC(C)(C)C 2230a_100000738805_100000742655 [0,2,0,0,0,0|1,0,0]=3 4703 B13R0.431 COC(=O)/C=C/CNCCC(C)(C)F 2230a_100016253952_100000742655 [0,2,0,0,0,0|1,0,0]=3 4704 B13R0.431 COC(=O)/C=C/CNCCC(F)(F)F 2230a_100000740434_100000742655 [0,2,0,0,0,0|2,0,0]=4 4705 B13R0.431 COC(=O)/C=C/CNCCC(F)(F)F 34a_100000740434_100000742655 [0,2,0,0,0,0|2,0,0]=4 4706 B13R0.431 COC(=O)/C=C/CNCCS(=O)(=O)C 2230a_100000740961_100000742655 [0,2,0,0,0,0|2,0,0]=4 4707 B13R0.431 COC(=O)/C=C/CNCCS(=O)(=O)C 34a_100000740961_100000742655 [0,2,0,0,0,0|2,0,0]=4 4708 B13R0.431 COC(=O)/C=C/COCCC(C)(C)C 7a_100000765024_100000742655 [0,2,0,0,0,0|1,0,0]=3 4709 B13R0.431 COC(=O)/C=C/COCCC(F)(F)F 34a_100000752437_100000742655 [0,2,0,0,0,0|2,0,0]=4 4710 B13R0.431 COC(=O)/C=C/COCCS(=O)(=O)C 34a_100000211924_100000742655 [0,2,0,0,0,0|2,0,0]=4 4711 B13R0.431 COC(=O)/C=C/COCCS(=O)(=O)C 7a_100000211924_100000742655 [0,2,0,0,0,0|2,0,0]=4 4712 B13R0.431 COC(=O)/C=C/COCC[N+](C)(C)C 7a_200020618287_100000742655 [0,2,0,0,0,0|2,0,0]=4 4713 B13R0.431 COC(=O)/C=C/COCC[Si](C)(C)C 7a_100000039746_100000742655 [0,2,0,0,0,0|1,1,0]=4 4714 B13R0.431 COC(=O)/C=C/CSCCC(C)(C)C 62a_100000742655_100000755188 [0,2,0,0,0,0|1,0,0]=3 4715 B13R0.431 COC(=O)/C=C/CSCCC(C)(C)C 62a_100000755188_100000742655 [0,2,0,0,0,0|1,0,0]=3 4716 B13R0.431 COC(=O)/C=C/CSCCC(C)(C)O 62a_100000702414_100000742655 [0,2,0,0,0,0|1,0,0]=3 4717 B13R0.431 COC(=O)/C=C/CSCCC(C)(C)O 62a_100000742655_100000702414 [0,2,0,0,0,0|1,0,0]=3 4718 B13R0.431 COC(=O)/C=C/CSCCC(F)(F)F 62a_100000742655_100011219754 [0,2,0,0,0,0|2,0,0]=4 4719 B13R0.431 COC(=O)/C=C/CSCCC(F)(F)F 62a_100011219754_100000742655 [0,2,0,0,0,0|2,0,0]=4 4720 B13R0.431 COC(=O)/C=C/CSCCS(=O)(=O)C 62a_100000731031_100000742655 [0,2,0,0,0,0|2,0,0]=4 4721 B13R0.431 COC(=O)/C=C/CSCCS(=O)(=O)C 62a_100000742655_100000230027 [0,2,0,0,0,0|2,0,0]=4 4722 B13R0.431 COC(=O)/C=C/CSCC[N+](C)(C)C 62a_100000085578_100000742655 [0,2,0,0,0,0|2,0,0]=4 4723 B13R0.431 COC(=O)/C=C/CSCC[N+](C)(C)C 62a_100000742655_100000085578 [0,2,0,0,0,0|2,0,0]=4 4724 B13R0.431 COC(=O)/C=C/CSCC[Si](C)(C)C 62a_100000742655_200000733723 [0,2,0,0,0,0|1,1,0]=4 4725 B13R0.431 COC(=O)/C=C/CSCC[Si](C)(C)C 62a_200000733723_100000742655 [0,2,0,0,0,0|1,1,0]=4 4726 B13R0.113 C=CCCC(C)OC/C=C/C(=O)OC 34a_100000765329_100000742655 [0,2,0,0,0,0|0,0,2]=4 4727 B13R0.113 C=CCCC(C)OC/C=C/C(=O)OC 7a_100000765329_100000742655 [0,2,0,0,0,0|0,0,2]=4 4728 B13R0.113 CCC#CC(C)OC/C=C/C(=O)OC 34a_100000033903_100000742655 [0,2,0,0,0,0|0,0,2]=4 4729 B13R0.113 CCC#CC(C)OC/C=C/C(=O)OC 7a_100000033903_100000742655 [0,2,0,0,0,0|0,0,2]=4 4730 B13R0.113 CCCCC(=O)CCCCC(=O)OC 1458a_100000210183_100000204269 [0,2,0,0,0,0|0,0,2]=4 4731 B13R0.113 CCCCC(=O)CCCCC(=O)OC 1458a_100000695723_100000210211 [0,2,0,0,0,0|0,0,2]=4 4732 B13R0.113 CCCCC(=O)CCCNC(=O)OC 1458a_100000753017_100000210211 [0,2,0,0,0,0|1,0,1]=4 4733 B13R0.113 CCCCC(=O)CCOCC(=O)OC 1458a_100000210183_100000090808 [0,2,0,0,0,0|1,0,1]=4 4734 B13R0.113 CCCCC(C)COCCC(=O)OC 34a_100011995851_100000742370 [0,2,0,0,0,0|0,0,2]=4 4735 B13R0.113 CCCCC(C)COCCC(=O)OC 7a_100011995851_100000204255 [0,2,0,0,0,0|0,0,2]=4 4736 B13R0.113 CCCCC(C)NC/C=C/C(=O)OC 2230a_100000126638_100000742655 [0,2,0,0,0,0|0,0,0]=2 4737 B13R0.113 CCCCC(C)NCCCC(=O)OC 2230a_100000126638_100011218270 [0,2,0,0,0,0|0,0,2]=4 4738 B13R0.113 CCCCC(C)OC/C=C/C(=O)OC 34a_100000687866_100000742655 [0,2,0,0,0,0|0,0,0]=2 4739 B13R0.113 CCCCC(C)OC/C=C/C(=O)OC 7a_100000687866_100000742655 [0,2,0,0,0,0|0,0,0]=2 4740 B13R0.113 CCCCC(C)OCCCC(=O)OC 34a_100000687866_100000742333 [0,2,0,0,0,0|0,0,2]=4 4741 B13R0.113 CCCCC(C)OCCCC(=O)OC 7a_100000687866_100011218270 [0,2,0,0,0,0|0,0,2]=4 4742 B13R0.113 CCCCC(C)OCCNC(=O)OC 34a_100000757965_200011215066 [0,2,0,0,0,0|1,0,1]=4 4743 B13R0.113 CCCCC(C)OCCOC(=O)OC 34a_100010262106_200011215066 [0,2,0,0,0,0|1,0,1]=4 4744 B13R0.113 CCCCC(C)SC/C=C/C(=O)OC 62a_100000742655_200011215066 [0,2,0,0,0,0|0,0,0]=2 4745 B13R0.113 CCCCC(C)SC/C=C/C(=O)OC 62a_200011215066_100000742655 [0,2,0,0,0,0|0,0,0]=2 4746 B13R0.113 CCCCC(C)SCCCC(=O)OC 62a_100011218270_200011215066 [0,2,0,0,0,0|0,0,2]=4 4747 B13R0.113 CCCCC(C)SCCCC(=O)OC 62a_200011215066_100011218270 [0,2,0,0,0,0|0,0,2]=4 4748 B13R0.113 CCCCN(C)CCCCC(=O)OC 2230a_100000207549_100000204269 [0,2,0,0,0,0|0,0,2]=4 4749 B13R0.113 CCCCN(C)CCCCC(=O)OC 269982a_100000207549_100000204269 [0,2,0,0,0,0|0,0,2]=4 4750 B13R0.113 CCCCN(C)CCOCC(=O)OC 2230a_100000207549_100000090808 [0,2,0,0,0,0|1,0,1]=4 4751 B13R0.113 CCCC[C@H](N)COCCC(=O)OC 34a_100011934283_100000742370 [0,2,0,0,0,0|0,0,2]=4 4752 B13R0.113 CCOCC(C)OC/C=C/C(=O)OC 34a_100000718985_100000742655 [0,2,0,0,0,0|1,0,0]=3 4753 B13R0.113 CCOCC(C)OC/C=C/C(=O)OC 7a_100000718985_100000742655 [0,2,0,0,0,0|1,0,0]=3 4754 B13R0.113 COC(=O)/C=C/COC(C)CCCCl 34a_200000718107_100000742655 [0,2,0,0,0,0|1,0,0]=3 4755 B13R0.113 COC(=O)/C=C/COC(C)CCCCl 7a_200000718107_100000742655 [0,2,0,0,0,0|1,0,0]=3 4756 B13R0.147 C#CCCCCCCOCC(=O)OC 34a_100011217361_100000747449 [0,2,0,0,0,0|1,0,1]=4 4757 B13R0.147 C#CCCCCCCOCC(=O)OC 7a_100011217361_100000747449 [0,2,0,0,0,0|1,0,1]=4 4758 B13R0.147 C#CCCCCCCSCC(=O)OC 62a_100000747449_100012276617 [0,2,0,0,0,0|1,0,1]=4 4759 B13R0.147 C#CCCCCCCSCC(=O)OC 62a_100012276617_100000747449 [0,2,0,0,0,0|1,0,1]=4 4760 B13R0.147 C#CCCCCNC/C=C/C(=O)OC 2230a_100000706060_100000742655 [0,2,0,0,0,0|0,0,1]=3 4761 B13R0.147 C#CCCCCNC/C=C/C(=O)OC 34a_100000706060_100000742655 [0,2,0,0,0,0|0,0,1]=3 4762 B13R0.147 C#CCCCCOC/C=C/C(=O)OC 34a_100000766709_100000742655 [0,2,0,0,0,0|0,0,1]=3 4763 B13R0.147 C#CCCCCOC/C=C/C(=O)OC 7a_100000766709_100000742655 [0,2,0,0,0,0|0,0,1]=3 4764 B13R0.147 C#CCCCCSC/C=C/C(=O)OC 62a_100000742655_100010269958 [0,2,0,0,0,0|0,0,1]=3 4765 B13R0.147 C#CCCCCSC/C=C/C(=O)OC 62a_100010269958_100000742655 [0,2,0,0,0,0|0,0,1]=3 4766 B13R0.147 C#CCOCCNC/C=C/C(=O)OC 2230a_100000700922_100000742655 [0,2,0,0,0,0|0,0,2]=4 4767 B13R0.147 C#CCOCCNC/C=C/C(=O)OC 34a_100000700922_100000742655 [0,2,0,0,0,0|0,0,2]=4 4768 B13R0.147 C#CCOCCOC/C=C/C(=O)OC 34a_100000054580_100000742655 [0,2,0,0,0,0|0,0,2]=4 4769 B13R0.147 C#CCOCCOC/C=C/C(=O)OC 7a_100000054580_100000742655 [0,2,0,0,0,0|0,0,2]=4 4770 B13R0.147 C#CCOCCSC/C=C/C(=O)OC 62a_100000742655_100010402529 [0,2,0,0,0,0|0,0,2]=4 4771 B13R0.147 C#CCOCCSC/C=C/C(=O)OC 62a_100010402529_100000742655 [0,2,0,0,0,0|0,0,2]=4 4772 B13R0.147 C=CCCCCCCOCC(=O)OC 34a_200011216477_100000747449 [0,2,0,0,0,0|1,0,1]=4 4773 B13R0.147 C=CCCCCCCOCC(=O)OC 7a_200011216477_100000747449 [0,2,0,0,0,0|1,0,1]=4 4774 B13R0.147 C=CCCCCCCSCC(=O)OC 62a_100000747449_100011215473 [0,2,0,0,0,0|1,0,1]=4 4775 B13R0.147 C=CCCCCCCSCC(=O)OC 62a_100011215473_100000747449 [0,2,0,0,0,0|1,0,1]=4 4776 B13R0.147 C=CCCCCNC/C=C/C(=O)OC 2230a_100000703577_100000742655 [0,2,0,0,0,0|0,0,1]=3 4777 B13R0.147 C=CCCCCNC/C=C/C(=O)OC 34a_100000703577_100000742655 [0,2,0,0,0,0|0,0,1]=3 4778 B13R0.147 C=CCCCCOC/C=C/C(=O)OC 34a_100000766645_100000742655 [0,2,0,0,0,0|0,0,1]=3 4779 B13R0.147 C=CCCCCOC/C=C/C(=O)OC 7a_100000766645_100000742655 [0,2,0,0,0,0|0,0,1]=3 4780 B13R0.147 C=CCCCCSC/C=C/C(=O)OC 62a_100000742655_100011215482 [0,2,0,0,0,0|0,0,1]=3 4781 B13R0.147 C=CCCCCSC/C=C/C(=O)OC 62a_100011215482_100000742655 [0,2,0,0,0,0|0,0,1]=3 4782 B13R0.147 C=CCOCCOC/C=C/C(=O)OC 34a_100000037705_100000742655 [0,2,0,0,0,0|0,0,2]=4 4783 B13R0.147 C=CCOCCOC/C=C/C(=O)OC 7a_100000037705_100000742655 [0,2,0,0,0,0|0,0,2]=4 4784 B13R0.147 C=COCCCNC/C=C/C(=O)OC 2230a_100000210767_100000742655 [0,2,0,0,0,0|0,0,2]=4 4785 B13R0.147 C=COCCCNC/C=C/C(=O)OC 34a_100000210767_100000742655 [0,2,0,0,0,0|0,0,2]=4 4786 B13R0.147 CC/C=C\CCCCOCC(=O)OC 34a_100016287862_100000747449 [0,2,0,0,0,0|1,0,1]=4 4787 B13R0.147 CC/C=C\CCCCOCC(=O)OC 7a_100016287862_100000747449 [0,2,0,0,0,0|1,0,1]=4 4788 B13R0.147 CC/C=C\CCOC/C=C/C(=O)OC 34a_100016288707_100000742655 [0,2,0,0,0,0|0,0,1]=3 4789 B13R0.147 CC/C=C\CCOC/C=C/C(=O)OC 7a_100016288707_100000742655 [0,2,0,0,0,0|0,0,1]=3 4790 B13R0.147 CC/C=C\CCSC/C=C/C(=O)OC 62a_100000742655_100015370543 [0,2,0,0,0,0|0,0,1]=3 4791 B13R0.147 CC/C=C\CCSC/C=C/C(=O)OC 62a_100015370543_100000742655 [0,2,0,0,0,0|0,0,1]=3 4792 B13R0.147 CC=C=CCCOC/C=C/C(=O)OC 34a_100011020354_100000742655 [0,2,0,0,0,0|0,0,2]=4 4793 B13R0.147 CC=CCCCOC/C=C/C(=O)OC 34a_100020645299_100000742655 [0,2,0,0,0,0|0,0,1]=3 4794 B13R0.147 CCC#CCCOC/C=C/C(=O)OC 34a_100000036655_100000742655 [0,2,0,0,0,0|0,0,1]=3 4795 B13R0.147 CCC#CCCOC/C=C/C(=O)OC 7a_100000036655_100000742655 [0,2,0,0,0,0|0,0,1]=3 4796 B13R0.147 CCC/C=C/COC/C=C/C(=O)OC 34a_100016278788_100000742655 [0,2,0,0,0,0|0,0,1]=3 4797 B13R0.147 CCC/C=C/COC/C=C/C(=O)OC 7a_100016278788_100000742655 [0,2,0,0,0,0|0,0,1]=3 4798 B13R0.147 CCCC#CCOC/C=C/C(=O)OC 34a_100000034806_100000742655 [0,2,0,0,0,0|0,0,1]=3 4799 B13R0.147 CCCC#CCOC/C=C/C(=O)OC 7a_100000034806_100000742655 [0,2,0,0,0,0|0,0,1]=3 4800 B13R0.147 CCCC/C=C\CCOCC(=O)OC 34a_200016286491_100000747449 [0,2,0,0,0,0|1,0,1]=4 4801 B13R0.147 CCCC/C=C\CCOCC(=O)OC 7a_200016286491_100000747449 [0,2,0,0,0,0|1,0,1]=4 4802 B13R0.147 CCCCC#CCCOCC(=O)OC 34a_100000037610_100000747449 [0,2,0,0,0,0|1,0,1]=4 4803 B13R0.147 CCCCC#CCCOCC(=O)OC 7a_100000037610_100000747449 [0,2,0,0,0,0|1,0,1]=4 4804 B13R0.147 CCCCC/C=C/COCC(=O)OC 34a_100016258190_100000747449 [0,2,0,0,0,0|0,0,2]=4 4805 B13R0.147 CCCCC/C=C/COCC(=O)OC 7a_100016258190_100000747449 [0,2,0,0,0,0|0,0,2]=4 4806 B13R0.147 CCCCCC#CCOCC(=O)OC 34a_200000033628_100000747449 [0,2,0,0,0,0|1,0,1]=4 4807 B13R0.147 CCCCCC#CCOCC(=O)OC 7a_200000033628_100000747449 [0,2,0,0,0,0|1,0,1]=4 4808 B13R0.147 CCCCCC#CCSCC(=O)OC 62a_100000747449_100009816472 [0,2,0,0,0,0|1,0,1]=4 4809 B13R0.147 CCCCCC#CCSCC(=O)OC 62a_100009816472_100000747449 [0,2,0,0,0,0|1,0,1]=4 4810 B13R0.147 CCCCCC=CC=NNC(=O)CC 4a_100000183195_100016268540 [0,2,0,0,0,0|1,0,1]=4 4811 B13R0.147 CCCCCCCC=NNC(=O)CC 4a_100000183195_100000210592 [0,2,0,0,0,0|1,0,1]=4 4812 B13R0.147 CCCCCCCCC=CC(=O)CC 1458a_100015345288_100000210202 [0,2,0,0,0,0|1,0,0]=3 4813 B13R0.147 CCCCCCCCC=CC(=O)CF 1458a_100015345288_100015361967 [0,2,0,0,0,0|2,0,0]=4 4814 B13R0.147 CCCCCCCCC=CC(=O)NC 11a_106832991635_100015345288 [0,2,0,0,0,0|1,0,0]=3 4815 B13R0.147 CCCCCCCCC=CC(=O)NC 1626a_100102657272_100015345288 [0,2,0,0,0,0|1,0,0]=3 4816 B13R0.147 CCCCCCCCC=CC(=O)NC 240690a_100102657272_100015345288 [0,2,0,0,0,0|1,0,0]=3 4817 B13R0.147 CCCCCCCCNCC(=O)OC 2230a_100000229939_100000747449 [0,2,0,0,0,0|0,0,2]=4 4818 B13R0.147 CCCCCCCCNCC(=O)OC 34a_100000229939_100000747449 [0,2,0,0,0,0|0,0,2]=4 4819 B13R0.147 CCCCCCCCOCC(=O)OC 34a_100000210232_100000747449 [0,2,0,0,0,0|0,0,2]=4 4820 B13R0.147 CCCCCCCCOCC(=O)OC 7a_100000210232_100000747449 [0,2,0,0,0,0|0,0,2]=4 4821 B13R0.147 CCCCCCCCSCC(=O)OC 62a_100000210759_100000747449 [0,2,0,0,0,0|0,0,2]=4 4822 B13R0.147 CCCCCCCCSCC(=O)OC 62a_100000747449_100000210317 [0,2,0,0,0,0|0,0,2]=4 4823 B13R0.147 CCCCCCCNCCC(=O)OC 2230a_100000229938_100000204255 [0,2,0,0,0,0|0,0,2]=4 4824 B13R0.147 CCCCCCCOCCC(=O)OC 34a_100000210272_100000742370 [0,2,0,0,0,0|0,0,2]=4 4825 B13R0.147 CCCCCCCOCCC(=O)OC 7a_100000210272_100000204255 [0,2,0,0,0,0|0,0,2]=4 4826 B13R0.147 CCCCCCCSCCC(=O)OC 62a_100000204255_100000210316 [0,2,0,0,0,0|0,0,2]=4 4827 B13R0.147 CCCCCCCSCCC(=O)OC 62a_100000210614_100000204255 [0,2,0,0,0,0|0,0,2]=4 4828 B13R0.147 CCCCCCCSCOC(=O)OC 62a_100000210614_100000139417 [0,2,0,0,0,0|0,0,2]=4 4829 B13R0.147 CCCCCCNC/C=C/C(=O)OC 2230a_100000210581_100000742655 [0,2,0,0,0,0|0,0,0]=2 4830 B13R0.147 CCCCCCNCCCC(=O)OC 2230a_100000210581_100011218270 [0,2,0,0,0,0|0,0,2]=4 4831 B13R0.147 CCCCCCOC/C=C/C(=O)OC 34a_100000210259_100000742655 [0,2,0,0,0,0|0,0,0]=2 4832 B13R0.147 CCCCCCOC/C=C/C(=O)OC 7a_100000210259_100000742655 [0,2,0,0,0,0|0,0,0]=2 4833 B13R0.147 CCCCCCOCCCC(=O)OC 34a_100000210259_100000742333 [0,2,0,0,0,0|0,0,2]=4 4834 B13R0.147 CCCCCCOCCCC(=O)OC 7a_100000210259_100011218270 [0,2,0,0,0,0|0,0,2]=4 4835 B13R0.147 CCCCCCOCCNC(=O)OC 34a_100000757965_100000210314 [0,2,0,0,0,0|0,0,2]=4 4836 B13R0.147 CCCCCCOCCOC(=O)OC 34a_100010262106_100000210314 [0,2,0,0,0,0|0,0,2]=4 4837 B13R0.147 CCCCCCSC/C=C/C(=O)OC 62a_100000210314_100000742655 [0,2,0,0,0,0|0,0,0]=2 4838 B13R0.147 CCCCCCSC/C=C/C(=O)OC 62a_100000742655_100000210757 [0,2,0,0,0,0|0,0,0]=2 4839 B13R0.147 CCCCCCSCCCC(=O)OC 62a_100000210314_100011218270 [0,2,0,0,0,0|0,0,2]=4 4840 B13R0.147 CCCCCCSCCCC(=O)OC 62a_100011218270_100000210757 [0,2,0,0,0,0|0,0,2]=4 4841 B13R0.147 CCCCCNCCCCC(=O)OC 2230a_100000209983_100000204269 [0,2,0,0,0,0|0,0,2]=4 4842 B13R0.147 CCCCCNCCOCC(=O)OC 2230a_100000209983_100000090808 [0,2,0,0,0,0|0,0,2]=4 4843 B13R0.147 CCCCCNCCOCC(=O)OC 34a_100000224656_100000747449 [0,2,0,0,0,0|0,0,2]=4 4844 B13R0.147 CCCCCNN=CC=CC(=O)OC 4a_100000694160_100016254430 [0,2,0,0,0,0|0,0,1]=3 4845 B13R0.147 CCCCCNN=CCCC(=O)OC 4a_100000694160_100012047195 [0,2,0,0,0,0|1,0,1]=4 4846 B13R0.147 CCCCCOCCCCC(=O)OC 34a_100000059025_100000718602 [0,2,0,0,0,0|0,0,2]=4 4847 B13R0.147 CCCCCOCCCCC(=O)OC 34a_100000210253_100000204269 [0,2,0,0,0,0|0,0,2]=4 4848 B13R0.147 CCCCCOCCCCC(=O)OC 7a_100000059025_100000210326 [0,2,0,0,0,0|0,0,2]=4 4849 B13R0.147 CCCCCOCCCCC(=O)OC 7a_100000210253_100000204269 [0,2,0,0,0,0|0,0,2]=4 4850 B13R0.147 CCCCCOCCOCC(=O)OC 34a_100000210253_100000090808 [0,2,0,0,0,0|0,0,2]=4 4851 B13R0.147 CCCCCOCCOCC(=O)OC 34a_100011215259_100000747449 [0,2,0,0,0,0|0,0,2]=4 4852 B13R0.147 CCCCCOCCOCC(=O)OC 7a_100000210253_100000090808 [0,2,0,0,0,0|0,0,2]=4 4853 B13R0.147 CCCCCOCCOCC(=O)OC 7a_100011215259_100000747449 [0,2,0,0,0,0|0,0,2]=4 4854 B13R0.147 CCCCCSCCCCC(=O)OC 62a_100000204269_100000210326 [0,2,0,0,0,0|0,0,2]=4 4855 B13R0.147 CCCCCSCCCCC(=O)OC 62a_100000210326_100000204269 [0,2,0,0,0,0|0,0,2]=4 4856 B13R0.147 CCCCCSCCOCC(=O)OC 62a_100000090808_100000210326 [0,2,0,0,0,0|0,0,2]=4 4857 B13R0.147 CCCCCSCCOCC(=O)OC 62a_100000210326_100000090808 [0,2,0,0,0,0|0,0,2]=4 4858 B13R0.147 CCCCNCCCCCC(=O)OC 2230a_100000102301_100009816466 [0,2,0,0,0,0|0,0,2]=4 4859 B13R0.147 CCCCNCCCCCC(=O)OC 7a_106832991798_100009816466 [0,2,0,0,0,0|0,0,2]=4 4860 B13R0.147 CCCCOCCCCCC(=O)OC 34a_100000074720_100000210210 [0,2,0,0,0,0|0,0,2]=4 4861 B13R0.147 CCCCOCCCCCC(=O)OC 34a_100000210227_100009816466 [0,2,0,0,0,0|0,0,2]=4 4862 B13R0.147 CCCCOCCCCCC(=O)OC 7a_100000074720_100000210211 [0,2,0,0,0,0|0,0,2]=4 4863 B13R0.147 CCCCOCCCCCC(=O)OC 7a_100000210227_100009816466 [0,2,0,0,0,0|0,0,2]=4 4864 B13R0.147 CCCCOCCCNCC(=O)OC 2230a_200000211371_100000747449 [0,2,0,0,0,0|0,0,2]=4 4865 B13R0.147 CCCCOCCCNCC(=O)OC 34a_200000211371_100000747449 [0,2,0,0,0,0|0,0,2]=4 4866 B13R0.147 CCCCOCCCOCC(=O)OC 34a_200011215613_100000747449 [0,2,0,0,0,0|0,0,2]=4 4867 B13R0.147 CCCCOCCCOCC(=O)OC 7a_200011215613_100000747449 [0,2,0,0,0,0|0,0,2]=4 4868 B13R0.147 CCCCOCCOCCC(=O)OC 34a_100000210238_100000742370 [0,2,0,0,0,0|0,0,2]=4 4869 B13R0.147 CCCCOCCOCCC(=O)OC 7a_100000210238_100000204255 [0,2,0,0,0,0|0,0,2]=4 4870 B13R0.147 CCCCOCCSCCC(=O)OC 62a_100000204255_100000743108 [0,2,0,0,0,0|0,0,2]=4 4871 B13R0.147 CCCCOCCSCCC(=O)OC 62a_100000743108_100000204255 [0,2,0,0,0,0|0,0,2]=4 4872 B13R0.147 CCCCOCCSCOC(=O)OC 62a_100000743108_100000139417 [0,2,0,0,0,0|1,0,1]=4 4873 B13R0.147 CCCCOCOCCNC(=O)OC 34a_100000757965_100011995733 [0,2,0,0,0,0|1,0,1]=4 4874 B13R0.147 CCCCOCOCCOC(=O)OC 34a_100010262106_100011995733 [0,2,0,0,0,0|1,0,1]=4 4875 B13R0.147 CCCCOCSC/C=C/C(=O)OC 62a_100000742655_100011995733 [0,2,0,0,0,0|0,0,0]=2 4876 B13R0.147 CCCCOCSC/C=C/C(=O)OC 62a_100011995733_100000742655 [0,2,0,0,0,0|0,0,0]=2 4877 B13R0.147 CCCCOCSCCCC(=O)OC 62a_100011218270_100011995733 [0,2,0,0,0,0|0,0,2]=4 4878 B13R0.147 CCCCOCSCCCC(=O)OC 62a_100011995733_100011218270 [0,2,0,0,0,0|0,0,2]=4 4879 B13R0.147 CCCCSCCCCCC(=O)OC 62a_100000210211_100009816466 [0,2,0,0,0,0|0,0,2]=4 4880 B13R0.147 CCCCSCCCCCC(=O)OC 62a_100009816466_100000210210 [0,2,0,0,0,0|0,0,2]=4 4881 B13R0.147 CCCCSCCNCCC(=O)OC 2230a_100025743550_100000204255 [0,2,0,0,0,0|0,0,2]=4 4882 B13R0.147 CCCCSCCOCCC(=O)OC 34a_200000230436_100000742370 [0,2,0,0,0,0|0,0,2]=4 4883 B13R0.147 CCCCSCCOCCC(=O)OC 7a_200000230436_100000204255 [0,2,0,0,0,0|0,0,2]=4 4884 B13R0.147 CCCOCCCCCCC(=O)OC 34a_100000210258_100009815986 [0,2,0,0,0,0|0,0,2]=4 4885 B13R0.147 CCCOCCCCCCC(=O)OC 34a_100009863599_100000210303 [0,2,0,0,0,0|0,0,2]=4 4886 B13R0.147 CCCOCCCCCCC(=O)OC 7a_100009863599_100000210303 [0,2,0,0,0,0|0,0,2]=4 4887 B13R0.147 CCCOCCCNCCC(=O)OC 2230a_100011217757_100000204255 [0,2,0,0,0,0|0,0,2]=4 4888 B13R0.147 CCCOCCCNCCC(=O)OC 34a_100011217757_100000742370 [0,2,0,0,0,0|0,0,2]=4 4889 B13R0.147 CCCOCCNC/C=C/C(=O)OC 2230a_100161115042_100000742655 [0,2,0,0,0,0|0,0,0]=2 4890 B13R0.147 CCCOCCNC/C=C/C(=O)OC 34a_100161115042_100000742655 [0,2,0,0,0,0|0,0,0]=2 4891 B13R0.147 CCCOCCNCCCC(=O)OC 2230a_100161115042_100011218270 [0,2,0,0,0,0|0,0,2]=4 4892 B13R0.147 CCCOCCNCCCC(=O)OC 34a_100161115042_100000742333 [0,2,0,0,0,0|0,0,2]=4 4893 B13R0.147 CCCOCCOC/C=C/C(=O)OC 34a_100000752267_100000742655 [0,2,0,0,0,0|0,0,0]=2 4894 B13R0.147 CCCOCCOC/C=C/C(=O)OC 7a_100000752267_100000742655 [0,2,0,0,0,0|0,0,0]=2 4895 B13R0.147 CCCOCCOCCCC(=O)OC 34a_100000752267_100000742333 [0,2,0,0,0,0|0,0,2]=4 4896 B13R0.147 CCCOCCOCCCC(=O)OC 7a_100000752267_100011218270 [0,2,0,0,0,0|0,0,2]=4 4897 B13R0.147 CCCOCCOCCNC(=O)OC 34a_100000757965_100011215938 [0,2,0,0,0,0|1,0,1]=4 4898 B13R0.147 CCCOCCOCCOC(=O)OC 34a_100010262106_100011215938 [0,2,0,0,0,0|1,0,1]=4 4899 B13R0.147 CCCOCCSC/C=C/C(=O)OC 62a_100000742655_100011215938 [0,2,0,0,0,0|0,0,0]=2 4900 B13R0.147 CCCOCCSC/C=C/C(=O)OC 62a_100011215938_100000742655 [0,2,0,0,0,0|0,0,0]=2 4901 B13R0.147 CCCOCCSCCCC(=O)OC 62a_100011215938_100011218270 [0,2,0,0,0,0|0,0,2]=4 4902 B13R0.147 CCCOCCSCCCC(=O)OC 62a_100011218270_100011215938 [0,2,0,0,0,0|0,0,2]=4 4903 B13R0.147 CCCSCCCCCCC(=O)OC 62a_100000210303_100009815986 [0,2,0,0,0,0|0,0,2]=4 4904 B13R0.147 CCCSCCCCCCC(=O)OC 62a_100009815986_100000210303 [0,2,0,0,0,0|0,0,2]=4 4905 B13R0.147 CCCSCCNC/C=C/C(=O)OC 2230a_100020603323_100000742655 [0,2,0,0,0,0|0,0,0]=2 4906 B13R0.147 CCCSCCNCCCC(=O)OC 2230a_100020603323_100011218270 [0,2,0,0,0,0|0,0,2]=4 4907 B13R0.147 CCCSCCOC/C=C/C(=O)OC 34a_200000230433_100000742655 [0,2,0,0,0,0|0,0,0]=2 4908 B13R0.147 CCCSCCOC/C=C/C(=O)OC 7a_200000230433_100000742655 [0,2,0,0,0,0|0,0,0]=2 4909 B13R0.147 CCCSCCOCCCC(=O)OC 34a_200000230433_100000742333 [0,2,0,0,0,0|0,0,2]=4 4910 B13R0.147 CCCSCCOCCCC(=O)OC 7a_200000230433_100011218270 [0,2,0,0,0,0|0,0,2]=4 4911 B13R0.147 CCNCCCCCCCC(=O)OC 2230a_100015525214_100010004213 [0,2,0,0,0,0|0,0,2]=4 4912 B13R0.147 CCOCCCCCCCC(=O)OC 34a_100011022521_100000210202 [0,2,0,0,0,0|0,0,2]=4 4913 B13R0.147 CCOCCCCCCCC(=O)OC 34a_100121572206_100010004213 [0,2,0,0,0,0|0,0,2]=4 4914 B13R0.147 CCOCCCCCCCC(=O)OC 7a_100011022521_100000210202 [0,2,0,0,0,0|0,0,2]=4 4915 B13R0.147 CCOCCCNC/C=C/C(=O)OC 2230a_100000210961_100000742655 [0,2,0,0,0,0|0,0,0]=2 4916 B13R0.147 CCOCCCNC/C=C/C(=O)OC 34a_100000210961_100000742655 [0,2,0,0,0,0|0,0,0]=2 4917 B13R0.147 CCOCCCNCCCC(=O)OC 2230a_100000210961_100011218270 [0,2,0,0,0,0|0,0,2]=4 4918 B13R0.147 CCOCCCNCCCC(=O)OC 34a_100000210961_100000742333 [0,2,0,0,0,0|0,0,2]=4 4919 B13R0.147 CCOCCCOC/C=C/C(=O)OC 34a_100000757476_100000742655 [0,2,0,0,0,0|0,0,0]=2 4920 B13R0.147 CCOCCCOC/C=C/C(=O)OC 7a_100000757476_100000742655 [0,2,0,0,0,0|0,0,0]=2 4921 B13R0.147 CCOCCCOCCCC(=O)OC 34a_100000757476_100000742333 [0,2,0,0,0,0|0,0,2]=4 4922 B13R0.147 CCOCCCOCCCC(=O)OC 7a_100000757476_100011218270 [0,2,0,0,0,0|0,0,2]=4 4923 B13R0.147 CCOCCCOCCNC(=O)OC 34a_100000757965_100012232248 [0,2,0,0,0,0|1,0,1]=4 4924 B13R0.147 CCOCCCOCCOC(=O)OC 34a_100010262106_100012232248 [0,2,0,0,0,0|1,0,1]=4 4925 B13R0.147 CCOCCCSC/C=C/C(=O)OC 62a_100000742655_100012232248 [0,2,0,0,0,0|0,0,0]=2 4926 B13R0.147 CCOCCCSC/C=C/C(=O)OC 62a_100012232248_100000742655 [0,2,0,0,0,0|0,0,0]=2 4927 B13R0.147 CCOCCCSCCCC(=O)OC 62a_100011218270_100012232248 [0,2,0,0,0,0|0,0,2]=4 4928 B13R0.147 CCOCCCSCCCC(=O)OC 62a_100012232248_100011218270 [0,2,0,0,0,0|0,0,2]=4 4929 B13R0.147 CCOCCNCCCCC(=O)OC 2230a_102516460346_100000204269 [0,2,0,0,0,0|0,0,2]=4 4930 B13R0.147 CCOCCNCCCCC(=O)OC 34a_102516460346_100000204269 [0,2,0,0,0,0|0,0,2]=4 4931 B13R0.147 CCOCCNCCOCC(=O)OC 2230a_102516460346_100000090808 [0,2,0,0,0,0|1,0,1]=4 4932 B13R0.147 CCOCCNCCOCC(=O)OC 34a_102516460346_100000090808 [0,2,0,0,0,0|1,0,1]=4 4933 B13R0.147 CCOCCNN=CC=CC(=O)OC 4a_100000732670_100016254430 [0,2,0,0,0,0|1,0,1]=4 4934 B13R0.147 CCOCCOCCCCC(=O)OC 34a_100000059025_100000210147 [0,2,0,0,0,0|0,0,2]=4 4935 B13R0.147 CCOCCOCCCCC(=O)OC 34a_100000210136_100000204269 [0,2,0,0,0,0|0,0,2]=4 4936 B13R0.147 CCOCCOCCCCC(=O)OC 7a_100000059025_100011215890 [0,2,0,0,0,0|0,0,2]=4 4937 B13R0.147 CCOCCOCCCCC(=O)OC 7a_100000210136_100000204269 [0,2,0,0,0,0|0,0,2]=4 4938 B13R0.147 CCOCCOCCNCC(=O)OC 2230a_100102712874_100000747449 [0,2,0,0,0,0|1,0,1]=4 4939 B13R0.147 CCOCCOCCNCC(=O)OC 34a_100102712874_100000747449 [0,2,0,0,0,0|1,0,1]=4 4940 B13R0.147 CCOCCOCCOCC(=O)OC 34a_100000210136_100000090808 [0,2,0,0,0,0|1,0,1]=4 4941 B13R0.147 CCOCCOCCOCC(=O)OC 34a_100000210240_100000747449 [0,2,0,0,0,0|1,0,1]=4 4942 B13R0.147 CCOCCOCCOCC(=O)OC 34a_100011023656_100000210202 [0,2,0,0,0,0|1,0,1]=4 4943 B13R0.147 CCOCCOCCOCC(=O)OC 7a_100000210136_100000090808 [0,2,0,0,0,0|1,0,1]=4 4944 B13R0.147 CCOCCOCCOCC(=O)OC 7a_100000210240_100000747449 [0,2,0,0,0,0|1,0,1]=4 4945 B13R0.147 CCOCCOCCOCC(=O)OC 7a_100011023656_100000210202 [0,2,0,0,0,0|1,0,1]=4 4946 B13R0.147 CCOCCOCCSCC(=O)OC 62a_100000747449_100011211534 [0,2,0,0,0,0|1,0,1]=4 4947 B13R0.147 CCOCCOCCSCC(=O)OC 62a_100011211534_100000747449 [0,2,0,0,0,0|1,0,1]=4 4948 B13R0.147 CCOCCSCCCCC(=O)OC 62a_100000204269_100011215890 [0,2,0,0,0,0|0,0,2]=4 4949 B13R0.147 CCOCCSCCCCC(=O)OC 62a_100000210147_100000204269 [0,2,0,0,0,0|0,0,2]=4 4950 B13R0.147 CCOCCSCCOCC(=O)OC 62a_100000090808_100011215890 [0,2,0,0,0,0|1,0,1]=4 4951 B13R0.147 CCOCCSCCOCC(=O)OC 62a_100000210147_100000090808 [0,2,0,0,0,0|1,0,1]=4 4952 B13R0.147 CCOCSCCCCCC(=O)OC 62a_100000739092_100009816466 [0,2,0,0,0,0|0,0,2]=4 4953 B13R0.147 CCOCSCCCCCC(=O)OC 62a_100009816466_100000739092 [0,2,0,0,0,0|0,0,2]=4 4954 B13R0.147 CCSCCCCCCCC(=O)OC 62a_100000210202_100010004213 [0,2,0,0,0,0|0,0,2]=4 4955 B13R0.147 CCSCCCCCCCC(=O)OC 62a_100010004213_100000210202 [0,2,0,0,0,0|0,0,2]=4 4956 B13R0.147 CCSCCCOC/C=C/C(=O)OC 34a_100011216438_100000742655 [0,2,0,0,0,0|0,0,0]=2 4957 B13R0.147 CCSCCCOC/C=C/C(=O)OC 7a_100011216438_100000742655 [0,2,0,0,0,0|0,0,0]=2 4958 B13R0.147 CCSCCCOCCCC(=O)OC 34a_100011216438_100000742333 [0,2,0,0,0,0|0,0,2]=4 4959 B13R0.147 CCSCCCOCCCC(=O)OC 7a_100011216438_100011218270 [0,2,0,0,0,0|0,0,2]=4 4960 B13R0.147 CCSCCNCCCCC(=O)OC 2230a_100000106463_100000204269 [0,2,0,0,0,0|0,0,2]=4 4961 B13R0.147 CCSCCNCCOCC(=O)OC 2230a_100000106463_100000090808 [0,2,0,0,0,0|1,0,1]=4 4962 B13R0.147 CCSCCOCCCCC(=O)OC 34a_100000059025_100000757381 [0,2,0,0,0,0|0,0,2]=4 4963 B13R0.147 CCSCCOCCCCC(=O)OC 34a_100000212035_100000204269 [0,2,0,0,0,0|0,0,2]=4 4964 B13R0.147 CCSCCOCCCCC(=O)OC 7a_100000059025_100000757381 [0,2,0,0,0,0|0,0,2]=4 4965 B13R0.147 CCSCCOCCCCC(=O)OC 7a_100000212035_100000204269 [0,2,0,0,0,0|0,0,2]=4 4966 B13R0.147 CCSCCOCCOCC(=O)OC 34a_100000212035_100000090808 [0,2,0,0,0,0|1,0,1]=4 4967 B13R0.147 CCSCCOCCOCC(=O)OC 7a_100000212035_100000090808 [0,2,0,0,0,0|1,0,1]=4 4968 B13R0.147 CCSCCSCCCCC(=O)OC 62a_100000204269_100000757381 [0,2,0,0,0,0|0,0,2]=4 4969 B13R0.147 CCSCCSCCCCC(=O)OC 62a_100000757381_100000204269 [0,2,0,0,0,0|0,0,2]=4 4970 B13R0.147 CCSCCSCCOCC(=O)OC 62a_100000090808_100000757381 [0,2,0,0,0,0|1,0,1]=4 4971 B13R0.147 CCSCCSCCOCC(=O)OC 62a_100000757381_100000090808 [0,2,0,0,0,0|1,0,1]=4 4972 B13R0.147 CNC(=O)C=CCCCCCCCO 1626a_100102657272_100016988705 [0,2,0,0,0,0|1,0,0]=3 4973 B13R0.147 CNC(=O)C=CCCCCCCCO 240690a_100102657272_100016988705 [0,2,0,0,0,0|1,0,0]=3 4974 B13R0.147 CNCCCCCCCCC(=O)OC 2230a_106832991635_100010282707 [0,2,0,0,0,0|0,0,2]=4 4975 B13R0.147 CNCCCCCCCCC(=O)OC 34a_100102657272_100010282707 [0,2,0,0,0,0|0,0,2]=4 4976 B13R0.147 CNCCCCCCCCC(=O)OC 7a_106832991635_100010282707 [0,2,0,0,0,0|0,0,2]=4 4977 B13R0.147 CNCCCCCOCCC(=O)OC 34a_100000722520_100000742370 [0,2,0,0,0,0|0,0,2]=4 4978 B13R0.147 CNCCCOCCCCC(=O)OC 34a_100000213112_100000204269 [0,2,0,0,0,0|0,0,2]=4 4979 B13R0.147 CNCCCOCCOCC(=O)OC 34a_100000213112_100000090808 [0,2,0,0,0,0|1,0,1]=4 4980 B13R0.147 COC(=O)/C=C/CNCCCCCO 2230a_100000762737_100000742655 [0,2,0,0,0,0|0,0,0]=2 4981 B13R0.147 COC(=O)/C=C/CNCCCCCO 34a_100000762737_100000742655 [0,2,0,0,0,0|0,0,0]=2 4982 B13R0.147 COC(=O)/C=C/CNCCCN=[N+]=[N-] 2230a_100000744732_100000742655 [0,2,0,0,0,0|2,0,0]=4 4983 B13R0.147 COC(=O)/C=C/CNCCOCCO 2230a_100000211614_100000742655 [0,2,0,0,0,0|1,0,0]=3 4984 B13R0.147 COC(=O)/C=C/CNCCOCCO 34a_100000211614_100000742655 [0,2,0,0,0,0|1,0,0]=3 4985 B13R0.147 COC(=O)/C=C/CNCCSCCO 2230a_100011219999_100000742655 [0,2,0,0,0,0|1,0,0]=3 4986 B13R0.147 COC(=O)/C=C/COCCCCCBr 34a_100000746331_100000742655 [0,2,0,0,0,0|0,0,0]=2 4987 B13R0.147 COC(=O)/C=C/COCCCCCBr 7a_100000746331_100000742655 [0,2,0,0,0,0|0,0,0]=2 4988 B13R0.147 COC(=O)/C=C/COCCCCCCl 34a_100000746330_100000742655 [0,2,0,0,0,0|0,0,0]=2 4989 B13R0.147 COC(=O)/C=C/COCCCCCCl 7a_100000746330_100000742655 [0,2,0,0,0,0|0,0,0]=2 4990 B13R0.147 COC(=O)/C=C/COCCCCCI 34a_200012148887_100000742655 [0,2,0,0,0,0|0,0,0]=2 4991 B13R0.147 COC(=O)/C=C/COCCCCCI 7a_200012148887_100000742655 [0,2,0,0,0,0|0,0,0]=2 4992 B13R0.147 COC(=O)/C=C/COCCCCCN 34a_100000762737_100000742655 [0,2,0,0,0,0|0,0,0]=2 4993 B13R0.147 COC(=O)/C=C/COCCCCSC 34a_100011217163_100000742655 [0,2,0,0,0,0|0,0,0]=2 4994 B13R0.147 COC(=O)/C=C/COCCCCSC 7a_100011217163_100000742655 [0,2,0,0,0,0|0,0,0]=2 4995 B13R0.147 COC(=O)/C=C/COCCOCCBr 34a_100000692535_100000742655 [0,2,0,0,0,0|1,0,0]=3 4996 B13R0.147 COC(=O)/C=C/COCCOCCBr 7a_100000692535_100000742655 [0,2,0,0,0,0|1,0,0]=3 4997 B13R0.147 COC(=O)/C=C/COCCOCCCl 34a_100011215305_100000742655 [0,2,0,0,0,0|1,0,0]=3 4998 B13R0.147 COC(=O)/C=C/COCCOCCCl 7a_100011215305_100000742655 [0,2,0,0,0,0|1,0,0]=3 4999 B13R0.147 COC(=O)/C=C/COCCOCCF 34a_200015357709_100000742655 [0,2,0,0,0,0|1,0,0]=3 5000 B13R0.147 COC(=O)/C=C/COCCOCCF 7a_200015357709_100000742655 [0,2,0,0,0,0|1,0,0]=3 5001 B13R0.147 COC(=O)/C=C/COCCOCCI 34a_100012149058_100000742655 [0,2,0,0,0,0|1,0,0]=3 5002 B13R0.147 COC(=O)/C=C/COCCOCCI 7a_100012149058_100000742655 [0,2,0,0,0,0|1,0,0]=3 5003 B13R0.147 COC(=O)/C=C/COCCOCCN 34a_100000211614_100000742655 [0,2,0,0,0,0|1,0,0]=3 5004 B13R0.147 COC(=O)/C=C/CSCCCCC#N 62a_100000742655_100000211819 [0,2,0,0,0,0|0,0,1]=3 5005 B13R0.147 COC(=O)/C=C/CSCCCCC#N 62a_100011219923_100000742655 [0,2,0,0,0,0|0,0,1]=3 5006 B13R0.147 COC(=O)/C=C/CSCCCCC=O 62a_100000139335_100000742655 [0,2,0,0,0,0|0,0,1]=3 5007 B13R0.147 COC(=O)/C=C/CSCCCCC=O 62a_100000742655_100000139335 [0,2,0,0,0,0|0,0,1]=3 5008 B13R0.147 COC(=O)/C=C/CSCCCCCF 62a_100000729378_100000742655 [0,2,0,0,0,0|0,0,0]=2 5009 B13R0.147 COC(=O)/C=C/CSCCCCCF 62a_100000742655_100000729378 [0,2,0,0,0,0|0,0,0]=2 5010 B13R0.147 COC(=O)/C=C/CSCCCCCO 62a_100000742655_100000746330 [0,2,0,0,0,0|0,0,0]=2 5011 B13R0.147 COC(=O)/C=C/CSCCCCCO 62a_100000746330_100000742655 [0,2,0,0,0,0|0,0,0]=2 5012 B13R0.147 COC(=O)/C=C/CSCCOCC#N 62a_100000742655_200000047693 [0,2,0,0,0,0|1,0,1]=4 5013 B13R0.147 COC(=O)/C=C/CSCCOCC#N 62a_200000047693_100000742655 [0,2,0,0,0,0|1,0,1]=4 5014 B13R0.147 COC(=O)/C=C/CSCCOCCO 62a_100000742655_100011215305 [0,2,0,0,0,0|1,0,0]=3 5015 B13R0.147 COC(=O)/C=C/CSCCOCCO 62a_100011215305_100000742655 [0,2,0,0,0,0|1,0,0]=3 5016 B13R0.147 COC(=O)CCCCCCCCO[13CH3] 34a_100000035544_200025704644 [0,2,0,0,0,0|0,0,2]=4 5017 B13R0.147 COC(=O)CCCCCCCCO[13CH3] 7a_100000035544_200025704644 [0,2,0,0,0,0|0,0,2]=4 5018 B13R0.147 COC(=O)CCCCCCCCSC 62a_100010282707_200000210301 [0,2,0,0,0,0|0,0,2]=4 5019 B13R0.147 COC(=O)CCCCCCCCSC 62a_200000210301_100010282707 [0,2,0,0,0,0|0,0,2]=4 5020 B13R0.147 COC(=O)CCCCCCCCS[13CH3] 62a_100010282707_200025704644 [0,2,0,0,0,0|0,0,2]=4 5021 B13R0.147 COC(=O)CCCCCCCCS[13CH3] 62a_200025704644_100010282707 [0,2,0,0,0,0|0,0,2]=4 5022 B13R0.147 COC(=O)CCCCCCCOCF 34a_100011022521_100015361967 [0,2,0,0,0,0|0,0,2]=4 5023 B13R0.147 COC(=O)CCCCCCCOCF 7a_100011022521_100015361967 [0,2,0,0,0,0|0,0,2]=4 5024 B13R0.147 COC(=O)CCCCCCCSCF 62a_100010004213_100015361967 [0,2,0,0,0,0|0,0,2]=4 5025 B13R0.147 COC(=O)CCCCCCCSCF 62a_100015361967_100010004213 [0,2,0,0,0,0|0,0,2]=4 5026 B13R0.147 COC(=O)CCCCCCNCCF 34a_100000724931_100009815986 [0,2,0,0,0,0|0,0,2]=4 5027 B13R0.147 COC(=O)CCCCCCNCCO 2230a_100016997473_100009815986 [0,2,0,0,0,0|0,0,2]=4 5028 B13R0.147 COC(=O)CCCCCCNCCO 34a_100016990907_100009815986 [0,2,0,0,0,0|0,0,2]=4 5029 B13R0.147 COC(=O)CCCCCCOCCBr 34a_100000211926_100009815986 [0,2,0,0,0,0|0,0,2]=4 5030 B13R0.147 COC(=O)CCCCCCOCCF 34a_100009863599_100011217306 [0,2,0,0,0,0|0,0,2]=4 5031 B13R0.147 COC(=O)CCCCCCOCCF 7a_100009863599_100011217306 [0,2,0,0,0,0|0,0,2]=4 5032 B13R0.147 COC(=O)CCCCCCOCCN 34a_100000210304_100009815986 [0,2,0,0,0,0|0,0,2]=4 5033 B13R0.147 COC(=O)CCCCCCOCCO 34a_100009863599_100000211926 [0,2,0,0,0,0|0,0,2]=4 5034 B13R0.147 COC(=O)CCCCCCOCCO 7a_100009863599_100000211926 [0,2,0,0,0,0|0,0,2]=4 5035 B13R0.147 COC(=O)CCCCCCOCSC 34a_100009863599_100011218213 [0,2,0,0,0,0|0,0,2]=4 5036 B13R0.147 COC(=O)CCCCCCSCCF 62a_100009815986_100011217306 [0,2,0,0,0,0|0,0,2]=4 5037 B13R0.147 COC(=O)CCCCCCSCCF 62a_100011217306_100009815986 [0,2,0,0,0,0|0,0,2]=4 5038 B13R0.147 COC(=O)CCCCCCSCCO 62a_100000211926_100009815986 [0,2,0,0,0,0|0,0,2]=4 5039 B13R0.147 COC(=O)CCCCCCSCCO 62a_100009815986_100000211926 [0,2,0,0,0,0|0,0,2]=4 5040 B13R0.147 COC(=O)CCCCCCSCSC 62a_100009815986_100011218213 [0,2,0,0,0,0|0,0,2]=4 5041 B13R0.147 COC(=O)CCCCCCSCSC 62a_100011218213_100009815986 [0,2,0,0,0,0|0,0,2]=4 5042 B13R0.147 COC(=O)CCCCCNCCCF 2230a_100015189416_100009816466 [0,2,0,0,0,0|0,0,2]=4 5043 B13R0.147 COC(=O)CCCCCNCCCF 34a_100015189416_100009816466 [0,2,0,0,0,0|0,0,2]=4 5044 B13R0.147 COC(=O)CCCCCNCCSC 2230a_100020590264_100009816466 [0,2,0,0,0,0|0,0,2]=4 5045 B13R0.147 COC(=O)CCCCCOCCCBr 34a_100011217188_100009816466 [0,2,0,0,0,0|0,0,2]=4 5046 B13R0.147 COC(=O)CCCCCOCCCCl 34a_100000230001_100009816466 [0,2,0,0,0,0|0,0,2]=4 5047 B13R0.147 COC(=O)CCCCCOCCCF 34a_100000074720_100011934791 [0,2,0,0,0,0|0,0,2]=4 5048 B13R0.147 COC(=O)CCCCCOCCCF 34a_100000759539_100009816466 [0,2,0,0,0,0|0,0,2]=4 5049 B13R0.147 COC(=O)CCCCCOCCCF 7a_100000074720_100011934791 [0,2,0,0,0,0|0,0,2]=4 5050 B13R0.147 COC(=O)CCCCCOCCCN 34a_100000182051_100009816466 [0,2,0,0,0,0|0,0,2]=4 5051 B13R0.147 COC(=O)CCCCCOCCCO 34a_100000074720_100000230001 [0,2,0,0,0,0|0,0,2]=4 5052 B13R0.147 COC(=O)CCCCCOCCCO 7a_100000074720_100011215043 [0,2,0,0,0,0|0,0,2]=4 5053 B13R0.147 COC(=O)CCCCCOCCSC 34a_100000074720_100000212216 [0,2,0,0,0,0|0,0,2]=4 5054 B13R0.147 COC(=O)CCCCCOCCSC 34a_100000230434_100009816466 [0,2,0,0,0,0|0,0,2]=4 5055 B13R0.147 COC(=O)CCCCCOCCSC 7a_100000074720_100000212216 [0,2,0,0,0,0|0,0,2]=4 5056 B13R0.147 COC(=O)CCCCCOCCSC 7a_100000230434_100009816466 [0,2,0,0,0,0|0,0,2]=4 5057 B13R0.147 COC(=O)CCCCCSCCCF 62a_100009816466_100011934791 [0,2,0,0,0,0|0,0,2]=4 5058 B13R0.147 COC(=O)CCCCCSCCCF 62a_100011934791_100009816466 [0,2,0,0,0,0|0,0,2]=4 5059 B13R0.147 COC(=O)CCCCCSCCCO 62a_100009816466_100011215043 [0,2,0,0,0,0|0,0,2]=4 5060 B13R0.147 COC(=O)CCCCCSCCCO 62a_100011215043_100009816466 [0,2,0,0,0,0|0,0,2]=4 5061 B13R0.147 COC(=O)CCCCCSCCSC 62a_100000212216_100009816466 [0,2,0,0,0,0|0,0,2]=4 5062 B13R0.147 COC(=O)CCCCCSCCSC 62a_100009816466_100000751147 [0,2,0,0,0,0|0,0,2]=4 5063 B13R0.147 COC(=O)CCCCNCCCCO 2230a_100000750430_100000204269 [0,2,0,0,0,0|0,0,2]=4 5064 B13R0.147 COC(=O)CCCCNCCCCO 34a_100000750430_100000204269 [0,2,0,0,0,0|0,0,2]=4 5065 B13R0.147 COC(=O)CCCCNCCCSC 2230a_100000749238_100000204269 [0,2,0,0,0,0|0,0,2]=4 5066 B13R0.147 COC(=O)CCCCOCCCCBr 34a_100011216708_100000204269 [0,2,0,0,0,0|0,0,2]=4 5067 B13R0.147 COC(=O)CCCCOCCCCCl 34a_100000210776_100000204269 [0,2,0,0,0,0|0,0,2]=4 5068 B13R0.147 COC(=O)CCCCOCCCCCl 7a_100000210776_100000204269 [0,2,0,0,0,0|0,0,2]=4 5069 B13R0.147 COC(=O)CCCCOCCCCF 34a_100000059025_100000729493 [0,2,0,0,0,0|0,0,2]=4 5070 B13R0.147 COC(=O)CCCCOCCCCF 34a_100011995726_100000204269 [0,2,0,0,0,0|0,0,2]=4 5071 B13R0.147 COC(=O)CCCCOCCCCF 7a_100000059025_100000729493 [0,2,0,0,0,0|0,0,2]=4 5072 B13R0.147 COC(=O)CCCCOCCCCF 7a_100011995726_100000204269 [0,2,0,0,0,0|0,0,2]=4 5073 B13R0.147 COC(=O)CCCCOCCCCI 34a_200012148704_100000204269 [0,2,0,0,0,0|0,0,2]=4 5074 B13R0.147 COC(=O)CCCCOCCCCN 34a_100000750430_100000204269 [0,2,0,0,0,0|0,0,2]=4 5075 B13R0.147 COC(=O)CCCCOCCCCO 34a_100000059025_100011216708 [0,2,0,0,0,0|0,0,2]=4 5076 B13R0.147 COC(=O)CCCCOCCCCO 7a_100000059025_100000210776 [0,2,0,0,0,0|0,0,2]=4 5077 B13R0.147 COC(=O)CCCCOCCCSC 34a_100000690336_100000204269 [0,2,0,0,0,0|0,0,2]=4 5078 B13R0.147 COC(=O)CCCCOCCCSC 7a_100000690336_100000204269 [0,2,0,0,0,0|0,0,2]=4 5079 B13R0.147 COC(=O)CCCCSCCCCF 62a_100000204269_100000729493 [0,2,0,0,0,0|0,0,2]=4 5080 B13R0.147 COC(=O)CCCCSCCCCF 62a_100000729493_100000204269 [0,2,0,0,0,0|0,0,2]=4 5081 B13R0.147 COC(=O)CCCCSCCCCO 62a_100000204269_100000210776 [0,2,0,0,0,0|0,0,2]=4 5082 B13R0.147 COC(=O)CCCCSCCCCO 62a_100000210776_100000204269 [0,2,0,0,0,0|0,0,2]=4 5083 B13R0.147 COC(=O)CCCNCCCCCO 2230a_100000762737_100011218270 [0,2,0,0,0,0|0,0,2]=4 5084 B13R0.147 COC(=O)CCCNCCCCCO 34a_100000762737_100000742333 [0,2,0,0,0,0|0,0,2]=4 5085 B13R0.147 COC(=O)CCCOCCCCCBr 34a_100000746331_100000742333 [0,2,0,0,0,0|0,0,2]=4 5086 B13R0.147 COC(=O)CCCOCCCCCBr 7a_100000746331_100011218270 [0,2,0,0,0,0|0,0,2]=4 5087 B13R0.147 COC(=O)CCCOCCCCCCl 34a_100000746330_100000742333 [0,2,0,0,0,0|0,0,2]=4 5088 B13R0.147 COC(=O)CCCOCCCCCCl 7a_100000746330_100011218270 [0,2,0,0,0,0|0,0,2]=4 5089 B13R0.147 COC(=O)CCCOCCCCCI 34a_200012148887_100000742333 [0,2,0,0,0,0|0,0,2]=4 5090 B13R0.147 COC(=O)CCCOCCCCCI 7a_200012148887_100011218270 [0,2,0,0,0,0|0,0,2]=4 5091 B13R0.147 COC(=O)CCCOCCCCCN 34a_100000762737_100000742333 [0,2,0,0,0,0|0,0,2]=4 5092 B13R0.147 COC(=O)CCCOCCCCSC 34a_100011217163_100000742333 [0,2,0,0,0,0|0,0,2]=4 5093 B13R0.147 COC(=O)CCCOCCCCSC 7a_100011217163_100011218270 [0,2,0,0,0,0|0,0,2]=4 5094 B13R0.147 COC(=O)CCCSCCCCCF 62a_100000729378_100011218270 [0,2,0,0,0,0|0,0,2]=4 5095 B13R0.147 COC(=O)CCCSCCCCCF 62a_100011218270_100000729378 [0,2,0,0,0,0|0,0,2]=4 5096 B13R0.147 COC(=O)CCCSCCCCCO 62a_100000746330_100011218270 [0,2,0,0,0,0|0,0,2]=4 5097 B13R0.147 COC(=O)CCCSCCCCCO 62a_100011218270_100000746330 [0,2,0,0,0,0|0,0,2]=4 5098 B13R0.147 COC(=O)CCNCCCCCCO 2230a_100000686447_100000204255 [0,2,0,0,0,0|0,0,2]=4 5099 B13R0.147 COC(=O)CCNCCCCCCO 34a_100000686447_100000742370 [0,2,0,0,0,0|0,0,2]=4 5100 B13R0.147 COC(=O)CCOCCCCCCBr 34a_100011215345_100000742370 [0,2,0,0,0,0|0,0,2]=4 5101 B13R0.147 COC(=O)CCOCCCCCCBr 7a_100011215345_100000204255 [0,2,0,0,0,0|0,0,2]=4 5102 B13R0.147 COC(=O)CCOCCCCCCCl 34a_100000766143_100000742370 [0,2,0,0,0,0|0,0,2]=4 5103 B13R0.147 COC(=O)CCOCCCCCCCl 7a_100000766143_100000204255 [0,2,0,0,0,0|0,0,2]=4 5104 B13R0.147 COC(=O)CCOCCCCCCF 34a_100000732779_100000742370 [0,2,0,0,0,0|0,0,2]=4 5105 B13R0.147 COC(=O)CCOCCCCCCF 7a_100000732779_100000204255 [0,2,0,0,0,0|0,0,2]=4 5106 B13R0.147 COC(=O)CCOCCCCCCN 34a_100000686447_100000742370 [0,2,0,0,0,0|0,0,2]=4 5107 B13R0.147 COC(=O)CCSCCCCCCF 62a_100000204255_100015922095 [0,2,0,0,0,0|0,0,2]=4 5108 B13R0.147 COC(=O)CCSCCCCCCF 62a_100015922095_100000204255 [0,2,0,0,0,0|0,0,2]=4 5109 B13R0.147 COC(=O)CCSCCCCCCO 62a_100000204255_100000766143 [0,2,0,0,0,0|0,0,2]=4 5110 B13R0.147 COC(=O)CCSCCCCCCO 62a_100000766143_100000204255 [0,2,0,0,0,0|0,0,2]=4 5111 B13R0.147 COC(=O)CNCCCCCCCO 2230a_100011996573_100000747449 [0,2,0,0,0,0|0,0,2]=4 5112 B13R0.147 COC(=O)CNCCCCCCCO 34a_100011996573_100000747449 [0,2,0,0,0,0|0,0,2]=4 5113 B13R0.147 COC(=O)CNCCCOCCCO 2230a_100011310245_100000747449 [0,2,0,0,0,0|1,0,1]=4 5114 B13R0.147 COC(=O)CNCCCOCCCO 34a_100011310245_100000747449 [0,2,0,0,0,0|1,0,1]=4 5115 B13R0.147 COC(=O)COCCCCCCCBr 34a_100000760002_100000747449 [0,2,0,0,0,0|0,0,2]=4 5116 B13R0.147 COC(=O)COCCCCCCCBr 7a_100000760002_100000747449 [0,2,0,0,0,0|0,0,2]=4 5117 B13R0.147 COC(=O)COCCCCCCCN 34a_100011996573_100000747449 [0,2,0,0,0,0|0,0,2]=4 5118 B13R0.147 COC(=O)COCCCOCCCN 34a_100011310245_100000747449 [0,2,0,0,0,0|1,0,1]=4 5119 B13R0.147 COC(=O)COCCNCCCCO 2230a_100000750430_100000090808 [0,2,0,0,0,0|1,0,1]=4 5120 B13R0.147 COC(=O)COCCNCCCCO 34a_100000750430_100000090808 [0,2,0,0,0,0|1,0,1]=4 5121 B13R0.147 COC(=O)COCCNCCCSC 2230a_100000749238_100000090808 [0,2,0,0,0,0|1,0,1]=4 5122 B13R0.147 COC(=O)COCCOCCCCBr 34a_100011216708_100000090808 [0,2,0,0,0,0|1,0,1]=4 5123 B13R0.147 COC(=O)COCCOCCCCCl 34a_100000210776_100000090808 [0,2,0,0,0,0|1,0,1]=4 5124 B13R0.147 COC(=O)COCCOCCCCCl 7a_100000210776_100000090808 [0,2,0,0,0,0|1,0,1]=4 5125 B13R0.147 COC(=O)COCCOCCCCF 34a_100011995726_100000090808 [0,2,0,0,0,0|1,0,1]=4 5126 B13R0.147 COC(=O)COCCOCCCCF 7a_100011995726_100000090808 [0,2,0,0,0,0|1,0,1]=4 5127 B13R0.147 COC(=O)COCCOCCCCI 34a_200012148704_100000090808 [0,2,0,0,0,0|1,0,1]=4 5128 B13R0.147 COC(=O)COCCOCCCCN 34a_100000750430_100000090808 [0,2,0,0,0,0|1,0,1]=4 5129 B13R0.147 COC(=O)COCCOCCCSC 34a_100000690336_100000090808 [0,2,0,0,0,0|1,0,1]=4 5130 B13R0.147 COC(=O)COCCOCCCSC 7a_100000690336_100000090808 [0,2,0,0,0,0|1,0,1]=4 5131 B13R0.147 COC(=O)COCCSCCCCF 62a_100000090808_100000729493 [0,2,0,0,0,0|1,0,1]=4 5132 B13R0.147 COC(=O)COCCSCCCCF 62a_100000729493_100000090808 [0,2,0,0,0,0|1,0,1]=4 5133 B13R0.147 COC(=O)COCCSCCCCO 62a_100000090808_100000210776 [0,2,0,0,0,0|1,0,1]=4 5134 B13R0.147 COC(=O)COCCSCCCCO 62a_100000210776_100000090808 [0,2,0,0,0,0|1,0,1]=4 5135 B13R0.147 COC(=O)CSCCCCCCC#N 62a_100000747449_100009813337 [0,2,0,0,0,0|1,0,1]=4 5136 B13R0.147 COC(=O)CSCCCCCCC#N 62a_100009813337_100000747449 [0,2,0,0,0,0|1,0,1]=4 5137 B13R0.147 COC(=O)CSCCCCCCCO 62a_100000747449_100000760002 [0,2,0,0,0,0|0,0,2]=4 5138 B13R0.147 COC(=O)CSCCCCCCCO 62a_100000760002_100000747449 [0,2,0,0,0,0|0,0,2]=4 5139 B13R0.147 COC(=O)NCCOCCCCCF 34a_100000757965_100000729378 [0,2,0,0,0,0|1,0,1]=4 5140 B13R0.147 COC(=O)NCCOCCCCCO 34a_100000757965_100000746330 [0,2,0,0,0,0|1,0,1]=4 5141 B13R0.147 COC(=O)OCCOCCCCCF 34a_100010262106_100000729378 [0,2,0,0,0,0|1,0,1]=4 5142 B13R0.147 COC(=O)OCCOCCCCCO 34a_100010262106_100000746330 [0,2,0,0,0,0|1,0,1]=4 5143 B13R0.147 COC(=O)OCSCCCCCCF 62a_100015922095_100000139417 [0,2,0,0,0,0|1,0,1]=4 5144 B13R0.147 COC(=O)OCSCCCCCCO 62a_100000766143_100000139417 [0,2,0,0,0,0|1,0,1]=4 5145 B13R0.147 COCCCCCCCCC(=O)OC 34a_100000035544_200000210301 [0,2,0,0,0,0|0,0,2]=4 5146 B13R0.147 COCCCCCCCCC(=O)OC 34a_100138415774_100010282707 [0,2,0,0,0,0|0,0,2]=4 5147 B13R0.147 COCCCCCCCCC(=O)OC 7a_100000035544_200000210301 [0,2,0,0,0,0|0,0,2]=4 5148 B13R0.147 COCCCCCCOCC(=O)OC 34a_200012092642_100000747449 [0,2,0,0,0,0|0,0,2]=4 5149 B13R0.147 COCCCCCCOCC(=O)OC 7a_200012092642_100000747449 [0,2,0,0,0,0|0,0,2]=4 5150 B13R0.147 COCCCCCCSCC(=O)OC 62a_100000747449_100011998445 [0,2,0,0,0,0|0,0,2]=4 5151 B13R0.147 COCCCCCCSCC(=O)OC 62a_100011998445_100000747449 [0,2,0,0,0,0|0,0,2]=4 5152 B13R0.147 COCCCCCNCCC(=O)OC 2230a_100000747528_100000204255 [0,2,0,0,0,0|0,0,2]=4 5153 B13R0.147 COCCCCCNCCC(=O)OC 34a_100000747528_100000742370 [0,2,0,0,0,0|0,0,2]=4 5154 B13R0.147 COCCCCOC/C=C/C(=O)OC 34a_100000740925_100000742655 [0,2,0,0,0,0|0,0,0]=2 5155 B13R0.147 COCCCCOCCCC(=O)OC 34a_100000740925_100000742333 [0,2,0,0,0,0|0,0,2]=4 5156 B13R0.147 COCCCCOCCNC(=O)OC 34a_100000757965_100000755781 [0,2,0,0,0,0|1,0,1]=4 5157 B13R0.147 COCCCCOCCOC(=O)OC 34a_100010262106_100000755781 [0,2,0,0,0,0|1,0,1]=4 5158 B13R0.147 COCCCCSC/C=C/C(=O)OC 62a_100000730899_100000742655 [0,2,0,0,0,0|0,0,0]=2 5159 B13R0.147 COCCCCSC/C=C/C(=O)OC 62a_100000742655_100000730899 [0,2,0,0,0,0|0,0,0]=2 5160 B13R0.147 COCCCCSCCCC(=O)OC 62a_100000730899_100011218270 [0,2,0,0,0,0|0,0,2]=4 5161 B13R0.147 COCCCCSCCCC(=O)OC 62a_100011218270_100000730899 [0,2,0,0,0,0|0,0,2]=4 5162 B13R0.147 COCCCNCCCCC(=O)OC 34a_100150723488_100000204269 [0,2,0,0,0,0|0,0,2]=4 5163 B13R0.147 COCCCNCCOCC(=O)OC 34a_100150723488_100000090808 [0,2,0,0,0,0|1,0,1]=4 5164 B13R0.147 COCCCOCCCCC(=O)OC 34a_100000059025_100000740836 [0,2,0,0,0,0|0,0,2]=4 5165 B13R0.147 COCCCOCCCCC(=O)OC 34a_100000740835_100000204269 [0,2,0,0,0,0|0,0,2]=4 5166 B13R0.147 COCCCOCCCCC(=O)OC 7a_100000059025_100000740836 [0,2,0,0,0,0|0,0,2]=4 5167 B13R0.147 COCCCOCCOCC(=O)OC 34a_100000740835_100000090808 [0,2,0,0,0,0|1,0,1]=4 5168 B13R0.147 COCCCSCCCCC(=O)OC 62a_100000204269_100000709357 [0,2,0,0,0,0|0,0,2]=4 5169 B13R0.147 COCCCSCCCCC(=O)OC 62a_100000709357_100000204269 [0,2,0,0,0,0|0,0,2]=4 5170 B13R0.147 COCCCSCCOCC(=O)OC 62a_100000090808_100000709357 [0,2,0,0,0,0|1,0,1]=4 5171 B13R0.147 COCCCSCCOCC(=O)OC 62a_100000709357_100000090808 [0,2,0,0,0,0|1,0,1]=4 5172 B13R0.147 COCCNCCCCCC(=O)OC 2230a_100000209980_100009816466 [0,2,0,0,0,0|0,0,2]=4 5173 B13R0.147 COCCOCCCCCC(=O)OC 34a_100000074720_100011201679 [0,2,0,0,0,0|0,0,2]=4 5174 B13R0.147 COCCOCCCCCC(=O)OC 34a_100000210237_100009816466 [0,2,0,0,0,0|0,0,2]=4 5175 B13R0.147 COCCOCCCCCC(=O)OC 7a_100000074720_100000233755 [0,2,0,0,0,0|0,0,2]=4 5176 B13R0.147 COCCOCCCNCC(=O)OC 2230a_100000206027_100000747449 [0,2,0,0,0,0|1,0,1]=4 5177 B13R0.147 COCCOCCCNCC(=O)OC 34a_100000206027_100000747449 [0,2,0,0,0,0|1,0,1]=4 5178 B13R0.147 COCCOCCCSCC(=O)OC 62a_100000747449_100011216529 [0,2,0,0,0,0|1,0,1]=4 5179 B13R0.147 COCCOCCCSCC(=O)OC 62a_100011216529_100000747449 [0,2,0,0,0,0|1,0,1]=4 5180 B13R0.147 COCCOCSC/C=C/C(=O)OC 62a_100000231047_100000742655 [0,2,0,0,0,0|1,0,0]=3 5181 B13R0.147 COCCOCSC/C=C/C(=O)OC 62a_100000742655_100000231047 [0,2,0,0,0,0|1,0,0]=3 5182 B13R0.147 COCCSCCCCCC(=O)OC 62a_100000233755_100009816466 [0,2,0,0,0,0|0,0,2]=4 5183 B13R0.147 COCCSCCCCCC(=O)OC 62a_100009816466_100000233755 [0,2,0,0,0,0|0,0,2]=4 5184 B13R0.147 COCSCCCCCCC(=O)OC 62a_100000766300_100009815986 [0,2,0,0,0,0|0,0,2]=4 5185 B13R0.147 COCSCCCCCCC(=O)OC 62a_100009815986_100000766300 [0,2,0,0,0,0|0,0,2]=4 5186 B13R0.150 CCCCCC/C=C/CC(=O)C(C)C 1458a_100020681715_100000210206 [0,2,0,0,0,0|1,0,0]=3 5187 B13R0.150 CCCCCC/C=C/CC(=O)N(C)C 11a_100102631434_100020681715 [0,2,0,0,0,0|1,0,0]=3 5188 B13R0.150 CCCCCC/C=C/CC(=O)N(C)C 1626a_100102631434_100020681715 [0,2,0,0,0,0|1,0,0]=3 5189 B13R0.150 CCCCCC/C=C/CC(=O)N(C)C 240690a_100102631434_100020681715 [0,2,0,0,0,0|1,0,0]=3 5190 B13R0.150 CCCCCCC=NNC(=O)C(C)C 4a_100000184118_100000234349 [0,2,0,0,0,0|2,0,0]=4 5191 B13R0.150 CCCCCCCC=CC(=O)C(C)C 1458a_200015332781_100000210206 [0,2,0,0,0,0|1,0,0]=3 5192 B13R0.150 CCCCCCCC=CC(=O)N(C)C 11a_100102631434_200015332781 [0,2,0,0,0,0|1,0,0]=3 5193 B13R0.150 CCCCCCCC=CC(=O)N(C)C 1626a_100102631434_200015332781 [0,2,0,0,0,0|1,0,0]=3 5194 B13R0.150 CCCCCCCC=CC(=O)N(C)C 240690a_100102631434_200015332781 [0,2,0,0,0,0|1,0,0]=3 5195 B13R0.202 COC(=O)/C=C/CNCCCC(=O)N 34a_100000739312_100000742655 [0,2,0,0,0,0|1,0,1]=4 5196 B13R0.202 COC(=O)/C=C/CNCCCC(C)C 2230a_200000737386_100000742655 [0,2,0,0,0,0|0,0,0]=2 5197 B13R0.202 COC(=O)/C=C/CNCCCC(C)C 34a_200000737386_100000742655 [0,2,0,0,0,0|0,0,0]=2 5198 B13R0.202 COC(=O)/C=C/CNCCCS(=O)C 2230a_200000753449_100000742655 [0,2,0,0,0,0|1,0,0]=3 5199 B13R0.202 COC(=O)/C=C/CNCCNC(=O)C 2230a_100000209853_100000742655 [0,2,0,0,0,0|1,0,1]=4 5200 B13R0.202 COC(=O)/C=C/CNCCOC(C)C 2230a_100000701111_100000742655 [0,2,0,0,0,0|1,0,0]=3 5201 B13R0.202 COC(=O)/C=C/CNCCOC(C)C 34a_100000701111_100000742655 [0,2,0,0,0,0|1,0,0]=3 5202 B13R0.202 COC(=O)/C=C/CNCCSC(C)C 2230a_100000731138_100000742655 [0,2,0,0,0,0|1,0,0]=3 5203 B13R0.202 COC(=O)/C=C/CNCCSC(C)C 34a_100000731138_100000742655 [0,2,0,0,0,0|1,0,0]=3 5204 B13R0.202 COC(=O)/C=C/COCCCC(=O)C 34a_100000759063_100000742655 [0,2,0,0,0,0|0,0,1]=3 5205 B13R0.202 COC(=O)/C=C/COCCCC(=O)C 7a_100000759063_100000742655 [0,2,0,0,0,0|0,0,1]=3 5206 B13R0.202 COC(=O)/C=C/COCCCC(C)C 34a_100000210774_100000742655 [0,2,0,0,0,0|0,0,0]=2 5207 B13R0.202 COC(=O)/C=C/COCCCC(C)C 7a_100000210774_100000742655 [0,2,0,0,0,0|0,0,0]=2 5208 B13R0.202 COC(=O)/C=C/COCCC[N+](=O)[O-] 34a_200000037920_100000742655 [0,2,0,0,0,0|2,0,0]=4 5209 B13R0.202 COC(=O)/C=C/COCCNC(=O)C 34a_100000158858_100000742655 [0,2,0,0,0,0|1,0,1]=4 5210 B13R0.202 COC(=O)/C=C/COCCNC(C)C 34a_100000224655_100000742655 [0,2,0,0,0,0|1,0,0]=3 5211 B13R0.202 COC(=O)/C=C/COCCOC(C)C 34a_100000211219_100000742655 [0,2,0,0,0,0|1,0,0]=3 5212 B13R0.202 COC(=O)/C=C/COCCOC(C)C 7a_100000211219_100000742655 [0,2,0,0,0,0|1,0,0]=3 5213 B13R0.202 COC(=O)/C=C/COCCSC(C)C 34a_200011212901_100000742655 [0,2,0,0,0,0|1,0,0]=3 5214 B13R0.202 COC(=O)/C=C/COCCSC(C)C 7a_200011212901_100000742655 [0,2,0,0,0,0|1,0,0]=3 5215 B13R0.202 COC(=O)/C=C/CSCCC=C(C)C 62a_100000742655_100011217483 [0,2,0,0,0,0|0,0,2]=4 5216 B13R0.202 COC(=O)/C=C/CSCCC=C(C)C 62a_100011217483_100000742655 [0,2,0,0,0,0|0,0,2]=4 5217 B13R0.202 COC(=O)/C=C/CSCCCC(=O)C 62a_100000742655_100011215641 [0,2,0,0,0,0|0,0,1]=3 5218 B13R0.202 COC(=O)/C=C/CSCCCC(=O)C 62a_100011215641_100000742655 [0,2,0,0,0,0|0,0,1]=3 5219 B13R0.202 COC(=O)/C=C/CSCCCC(=O)N 62a_100000742655_100102525003 [0,2,0,0,0,0|1,0,1]=4 5220 B13R0.202 COC(=O)/C=C/CSCCCC(=O)N 62a_100102525003_100000742655 [0,2,0,0,0,0|1,0,1]=4 5221 B13R0.202 COC(=O)/C=C/CSCCCC(C)C 62a_100000742655_100011214892 [0,2,0,0,0,0|0,0,0]=2 5222 B13R0.202 COC(=O)/C=C/CSCCCC(C)C 62a_100011214892_100000742655 [0,2,0,0,0,0|0,0,0]=2 5223 B13R0.202 COC(=O)/C=C/CSCCCC(C)O 62a_100000742655_200000718107 [0,2,0,0,0,0|0,0,0]=2 5224 B13R0.202 COC(=O)/C=C/CSCCCC(C)O 62a_200000718107_100000742655 [0,2,0,0,0,0|0,0,0]=2 5225 B13R0.202 COC(=O)/C=C/CSCCCN(C)C 62a_100000742655_100000757444 [0,2,0,0,0,0|1,0,0]=3 5226 B13R0.202 COC(=O)/C=C/CSCCNC(=O)C 62a_100000189650_100000742655 [0,2,0,0,0,0|1,0,1]=4 5227 B13R0.202 COC(=O)/C=C/CSCCNC(=O)C 62a_100000742655_100000189650 [0,2,0,0,0,0|1,0,1]=4 5228 B13R0.202 COC(=O)/C=C/CSCCOC(=O)C 62a_100000742655_100009814007 [0,2,0,0,0,0|1,0,1]=4 5229 B13R0.202 COC(=O)/C=C/CSCCOC(=O)C 62a_100009814007_100000742655 [0,2,0,0,0,0|1,0,1]=4 5230 B13R0.202 COC(=O)/C=C/CSCCOC(C)C 62a_100000211751_100000742655 [0,2,0,0,0,0|1,0,0]=3 5231 B13R0.202 COC(=O)/C=C/CSCCOC(C)C 62a_100000742655_100000211751 [0,2,0,0,0,0|1,0,0]=3 5232 B13R0.202 COC(=O)/C=C/CSCCSC(C)C 62a_100000730970_100000742655 [0,2,0,0,0,0|1,0,0]=3 5233 B13R0.202 COC(=O)/C=C/CSCCSC(C)C 62a_100000742655_100000730970 [0,2,0,0,0,0|1,0,0]=3 5234 B13R0.202 COC(=O)CCCCCCCC(=O)C 1458a_100000033222_200000210301 [0,2,0,0,0,0|0,0,2]=4 5235 B13R0.202 COC(=O)CCCCCCCC(=O)C 1458a_100000070787_100010004213 [0,2,0,0,0,0|0,0,2]=4 5236 B13R0.202 COC(=O)CCCCCCCC(=O)[13CH3] 1458a_100000033222_200025704644 [0,2,0,0,0,0|0,0,2]=4 5237 B13R0.202 COC(=O)CCCCCCCN(C)C 2230a_100102631434_100010004213 [0,2,0,0,0,0|0,0,2]=4 5238 B13R0.202 COC(=O)CCCCCCCN(C)C 269982a_100102631434_100010004213 [0,2,0,0,0,0|0,0,2]=4 5239 B13R0.202 COC(=O)CCCCCCNC(C)C 2230a_100138425928_100009815986 [0,2,0,0,0,0|0,0,2]=4 5240 B13R0.202 COC(=O)CCCCCCNC(C)C 34a_100138425928_100009815986 [0,2,0,0,0,0|0,0,2]=4 5241 B13R0.202 COC(=O)CCCCCCOC(C)C 34a_100000212225_100009815986 [0,2,0,0,0,0|0,0,2]=4 5242 B13R0.202 COC(=O)CCCCCCOC(C)C 34a_100009863599_100000210206 [0,2,0,0,0,0|0,0,2]=4 5243 B13R0.202 COC(=O)CCCCCCOC(C)C 7a_100009863599_100000210206 [0,2,0,0,0,0|0,0,2]=4 5244 B13R0.202 COC(=O)CCCCCCSC(C)C 62a_100000210206_100009815986 [0,2,0,0,0,0|0,0,2]=4 5245 B13R0.202 COC(=O)CCCCCCSC(C)C 62a_100009815986_100000210206 [0,2,0,0,0,0|0,0,2]=4 5246 B13R0.202 COC(=O)CCCCCNCC(C)C 2230a_100000210953_100009816466 [0,2,0,0,0,0|0,0,2]=4 5247 B13R0.202 COC(=O)CCCCCNCC(C)C 34a_100000210953_100009816466 [0,2,0,0,0,0|0,0,2]=4 5248 B13R0.202 COC(=O)CCCCCNCC(C)O 2230a_100000210904_100009816466 [0,2,0,0,0,0|0,0,2]=4 5249 B13R0.202 COC(=O)CCCCCNCC(C)O 34a_100000210904_100009816466 [0,2,0,0,0,0|0,0,2]=4 5250 B13R0.202 COC(=O)CCCCCOCC(C)Br 34a_100012180447_100009816466 [0,2,0,0,0,0|0,0,2]=4 5251 B13R0.202 COC(=O)CCCCCOCC(C)C 34a_100000074720_100000210624 [0,2,0,0,0,0|0,0,2]=4 5252 B13R0.202 COC(=O)CCCCCOCC(C)C 34a_100000210257_100009816466 [0,2,0,0,0,0|0,0,2]=4 5253 B13R0.202 COC(=O)CCCCCOCC(C)C 7a_100000074720_100000210760 [0,2,0,0,0,0|0,0,2]=4 5254 B13R0.202 COC(=O)CCCCCOCC(C)F 34a_100015925927_100009816466 [0,2,0,0,0,0|0,0,2]=4 5255 B13R0.202 COC(=O)CCCCCOCC(C)O 34a_100000074720_100011218427 [0,2,0,0,0,0|0,0,2]=4 5256 B13R0.202 COC(=O)CCCCCOCC(C)O 7a_100000074720_100011218427 [0,2,0,0,0,0|0,0,2]=4 5257 B13R0.202 COC(=O)CCCCCOC[C@@H](C)Cl 34a_100016084084_100009816466 [0,2,0,0,0,0|0,0,2]=4 5258 B13R0.202 COC(=O)CCCCCOC[C@@H](C)N 34a_100000737577_100009816466 [0,2,0,0,0,0|0,0,2]=4 5259 B13R0.202 COC(=O)CCCCCOC[C@@H](C)O 34a_100000074720_100009817552 [0,2,0,0,0,0|0,0,2]=4 5260 B13R0.202 COC(=O)CCCCCOC[C@@H](C)O 7a_100000074720_100009817552 [0,2,0,0,0,0|0,0,2]=4 5261 B13R0.202 COC(=O)CCCCCSCC(C)C 62a_100000210624_100009816466 [0,2,0,0,0,0|0,0,2]=4 5262 B13R0.202 COC(=O)CCCCCSCC(C)C 62a_100009816466_100000210760 [0,2,0,0,0,0|0,0,2]=4 5263 B13R0.202 COC(=O)CCCCCSCC(C)O 62a_100009816466_100011218427 [0,2,0,0,0,0|0,0,2]=4 5264 B13R0.202 COC(=O)CCCCCSCC(C)O 62a_100011218427_100009816466 [0,2,0,0,0,0|0,0,2]=4 5265 B13R0.202 COC(=O)CCCCCSC[C@@H](C)O 62a_100009816466_100009817552 [0,2,0,0,0,0|0,0,2]=4 5266 B13R0.202 COC(=O)CCCCCSC[C@@H](C)O 62a_100009817552_100009816466 [0,2,0,0,0,0|0,0,2]=4 5267 B13R0.202 COC(=O)CCCCNCCC(C)O 2230a_200000755665_100000204269 [0,2,0,0,0,0|0,0,2]=4 5268 B13R0.202 COC(=O)CCCCOCCC(C)Br 34a_100009893172_100000204269 [0,2,0,0,0,0|0,0,2]=4 5269 B13R0.202 COC(=O)CCCCOCCC(C)C 34a_100000059025_100000210312 [0,2,0,0,0,0|0,0,2]=4 5270 B13R0.202 COC(=O)CCCCOCCC(C)C 34a_100000210254_100000204269 [0,2,0,0,0,0|0,0,2]=4 5271 B13R0.202 COC(=O)CCCCOCCC(C)C 7a_100000059025_100000210626 [0,2,0,0,0,0|0,0,2]=4 5272 B13R0.202 COC(=O)CCCCOCCC(C)C 7a_100000210254_100000204269 [0,2,0,0,0,0|0,0,2]=4 5273 B13R0.202 COC(=O)CCCCOCCC(C)O 34a_100000059025_100012276601 [0,2,0,0,0,0|0,0,2]=4 5274 B13R0.202 COC(=O)CCCCOCCC(C)O 7a_100000059025_100012276601 [0,2,0,0,0,0|0,0,2]=4 5275 B13R0.202 COC(=O)CCCCOCC[C@@H](C)N 34a_100000706166_100000204269 [0,2,0,0,0,0|0,0,2]=4 5276 B13R0.202 COC(=O)CCCCSCCC(C)C 62a_100000204269_100000210312 [0,2,0,0,0,0|0,0,2]=4 5277 B13R0.202 COC(=O)CCCCSCCC(C)C 62a_100000210312_100000204269 [0,2,0,0,0,0|0,0,2]=4 5278 B13R0.202 COC(=O)CCCCSCCC(C)O 62a_100000204269_100012276601 [0,2,0,0,0,0|0,0,2]=4 5279 B13R0.202 COC(=O)CCCCSCCC(C)O 62a_100012276601_100000204269 [0,2,0,0,0,0|0,0,2]=4 5280 B13R0.202 COC(=O)CCCNCCCC(C)C 2230a_200000737386_100011218270 [0,2,0,0,0,0|0,0,2]=4 5281 B13R0.202 COC(=O)CCCNCCCC(C)C 34a_200000737386_100000742333 [0,2,0,0,0,0|0,0,2]=4 5282 B13R0.202 COC(=O)CCCOCCCC(C)C 34a_100000210774_100000742333 [0,2,0,0,0,0|0,0,2]=4 5283 B13R0.202 COC(=O)CCCOCCCC(C)C 7a_100000210774_100011218270 [0,2,0,0,0,0|0,0,2]=4 5284 B13R0.202 COC(=O)CCCSCCCC(C)C 62a_100011214892_100011218270 [0,2,0,0,0,0|0,0,2]=4 5285 B13R0.202 COC(=O)CCCSCCCC(C)C 62a_100011218270_100011214892 [0,2,0,0,0,0|0,0,2]=4 5286 B13R0.202 COC(=O)CCCSCCCC(C)O 62a_100011218270_200000718107 [0,2,0,0,0,0|0,0,2]=4 5287 B13R0.202 COC(=O)CCCSCCCC(C)O 62a_200000718107_100011218270 [0,2,0,0,0,0|0,0,2]=4 5288 B13R0.202 COC(=O)CCOCCCCC(C)C 34a_100011214890_100000742370 [0,2,0,0,0,0|0,0,2]=4 5289 B13R0.202 COC(=O)CCOCCCCC(C)C 7a_100011214890_100000204255 [0,2,0,0,0,0|0,0,2]=4 5290 B13R0.202 COC(=O)CCSCCCCC(C)C 62a_100000204255_100011216152 [0,2,0,0,0,0|0,0,2]=4 5291 B13R0.202 COC(=O)CCSCCCCC(C)C 62a_100011216152_100000204255 [0,2,0,0,0,0|0,0,2]=4 5292 B13R0.202 COC(=O)CNCCCCCC(C)C 2230a_100011290863_100000747449 [0,2,0,0,0,0|0,0,2]=4 5293 B13R0.202 COC(=O)CNCCCCCC(C)C 34a_100011290863_100000747449 [0,2,0,0,0,0|0,0,2]=4 5294 B13R0.202 COC(=O)CNCCCOCC(C)C 2230a_100000205972_100000747449 [0,2,0,0,0,0|1,0,1]=4 5295 B13R0.202 COC(=O)CNCCCOCC(C)C 34a_100000205972_100000747449 [0,2,0,0,0,0|1,0,1]=4 5296 B13R0.202 COC(=O)COCCCCCC(C)C 34a_100011995859_100000747449 [0,2,0,0,0,0|0,0,2]=4 5297 B13R0.202 COC(=O)COCCCCCC(C)C 7a_100011995859_100000747449 [0,2,0,0,0,0|0,0,2]=4 5298 B13R0.202 COC(=O)COCCCCNC(C)C 34a_100011521146_100000747449 [0,2,0,0,0,0|1,0,1]=4 5299 B13R0.202 COC(=O)COCCNCCC(C)O 2230a_200000755665_100000090808 [0,2,0,0,0,0|1,0,1]=4 5300 B13R0.202 COC(=O)COCCOCCC(C)Br 34a_100009893172_100000090808 [0,2,0,0,0,0|1,0,1]=4 5301 B13R0.202 COC(=O)COCCOCCC(C)C 34a_100000210254_100000090808 [0,2,0,0,0,0|1,0,1]=4 5302 B13R0.202 COC(=O)COCCOCCC(C)C 7a_100000210254_100000090808 [0,2,0,0,0,0|1,0,1]=4 5303 B13R0.202 COC(=O)COCCOCC[C@@H](C)N 34a_100000706166_100000090808 [0,2,0,0,0,0|1,0,1]=4 5304 B13R0.202 COC(=O)COCCSCCC(C)C 62a_100000090808_100000210312 [0,2,0,0,0,0|1,0,1]=4 5305 B13R0.202 COC(=O)COCCSCCC(C)C 62a_100000210312_100000090808 [0,2,0,0,0,0|1,0,1]=4 5306 B13R0.202 COC(=O)COCCSCCC(C)O 62a_100000090808_100012276601 [0,2,0,0,0,0|1,0,1]=4 5307 B13R0.202 COC(=O)COCCSCCC(C)O 62a_100012276601_100000090808 [0,2,0,0,0,0|1,0,1]=4 5308 B13R0.202 COC(=O)CSCCCCCC(C)C 62a_100000210682_100000747449 [0,2,0,0,0,0|0,0,2]=4 5309 B13R0.202 COC(=O)CSCCCCCC(C)C 62a_100000747449_100000210682 [0,2,0,0,0,0|0,0,2]=4 5310 B13R0.202 COC(=O)NCCOCCCC(C)C 34a_100000757965_100011214892 [0,2,0,0,0,0|1,0,1]=4 5311 B13R0.202 COC(=O)NCCOCCCC(C)O 34a_100000757965_200000718107 [0,2,0,0,0,0|1,0,1]=4 5312 B13R0.202 COC(=O)OCCOCCCC(C)C 34a_100010262106_100011214892 [0,2,0,0,0,0|1,0,1]=4 5313 B13R0.202 COC(=O)OCCOCCCC(C)O 34a_100010262106_200000718107 [0,2,0,0,0,0|1,0,1]=4 5314 B13R0.202 COC(=O)OCSCCCCC(C)C 62a_100011216152_100000139417 [0,2,0,0,0,0|1,0,1]=4 5315 B13R0.57 CCCCCCC=CC(=O)C(F)(F)F 1458a_200015324643_200000243211 [0,2,0,0,0,0|2,0,0]=4 5316 B13R0.226 CCCC(C)(C)OC/C=C/C(=O)OC 7a_100000748436_100000742655 [0,2,0,0,0,0|1,0,0]=3 5317 B13R0.226 COC(=O)/C=C/CNC(C)(C)CSC 2230a_100000759623_100000742655 [0,2,0,0,0,0|2,0,0]=4 5318 B13R0.226 COC(=O)/C=C/CNC(C)(C)CSC 7a_100000759623_100000742655 [0,2,0,0,0,0|2,0,0]=4 5319 B13R0.226 COC(=O)/C=C/COC(C)(C)CCBr 7a_100000702414_100000742655 [0,2,0,0,0,0|2,0,0]=4 5320 B13R0.226 COCC(C)(C)NC/C=C/C(=O)OC 2230a_100000752728_100000742655 [0,2,0,0,0,0|2,0,0]=4 5321 B13R0.308 C#CC(CCC)OC/C=C/C(=O)OC 34a_200011217317_100000742655 [0,2,0,0,0,0|1,0,0]=3 5322 B13R0.308 C#CC(CCC)OC/C=C/C(=O)OC 7a_200011217317_100000742655 [0,2,0,0,0,0|1,0,0]=3 5323 B13R0.308 C=CC(CCC)OC/C=C/C(=O)OC 34a_100011216692_100000742655 [0,2,0,0,0,0|1,0,0]=3 5324 B13R0.308 C=CC(CCC)OC/C=C/C(=O)OC 7a_100011216692_100000742655 [0,2,0,0,0,0|1,0,0]=3 5325 B13R0.308 CCC(COC)NC/C=C/C(=O)OC 2230a_100000757820_100000742655 [0,2,0,0,0,0|2,0,0]=4 5326 B13R0.308 CCC(COC)OC/C=C/C(=O)OC 7a_200011214946_100000742655 [0,2,0,0,0,0|2,0,0]=4 5327 B13R0.308 CCCC(C#N)OC/C=C/C(=O)OC 34a_100000686963_100000742655 [0,2,0,0,0,0|1,0,0]=3 5328 B13R0.308 CCCC(C#N)OC/C=C/C(=O)OC 7a_100000686963_100000742655 [0,2,0,0,0,0|1,0,0]=3 5329 B13R0.308 CCCC(CC)NC/C=C/C(=O)OC 2230a_100000747048_100000742655 [0,2,0,0,0,0|1,0,0]=3 5330 B13R0.308 CCCC(CC)OC/C=C/C(=O)OC 34a_100000687864_100000742655 [0,2,0,0,0,0|1,0,0]=3 5331 B13R0.308 CCCC(CC)OC/C=C/C(=O)OC 7a_100000687864_100000742655 [0,2,0,0,0,0|1,0,0]=3 5332 B13R0.308 CCCC(CC)SC/C=C/C(=O)OC 62a_100000742655_100011219200 [0,2,0,0,0,0|1,0,0]=3 5333 B13R0.308 CCCC(CC)SC/C=C/C(=O)OC 62a_100011219200_100000742655 [0,2,0,0,0,0|1,0,0]=3 5334 B13R0.308 CCCC(CCOCC(=O)OC)SC 34a_100000032865_100000747449 [0,2,0,0,0,0|1,0,1]=4 5335 B13R0.308 CCCC(CCOCC(=O)OC)SC 7a_100000032865_100000747449 [0,2,0,0,0,0|1,0,1]=4 5336 B13R0.308 CCC[C@@H](CO)NC/C=C/C(=O)OC 2230a_100000732646_100000742655 [0,2,0,0,0,0|1,0,0]=3 5337 B13R0.308 CCC[C@@H](CO)NC/C=C/C(=O)OC 34a_100000732646_100000742655 [0,2,0,0,0,0|1,0,0]=3 5338 B13R0.308 COCC(CCl)OC/C=C/C(=O)OC 34a_100011215053_100000742655 [0,2,0,0,0,0|2,0,0]=4 5339 B13R0.308 COCC(CN)OC/C=C/C(=O)OC 34a_100000756049_100000742655 [0,2,0,0,0,0|2,0,0]=4 5340 B13R0.308 COCC(CO)NC/C=C/C(=O)OC 2230a_100000724102_100000742655 [0,2,0,0,0,0|2,0,0]=4 5341 B13R0.308 COCC(CO)NC/C=C/C(=O)OC 34a_100000724102_100000742655 [0,2,0,0,0,0|2,0,0]=4 5342 B11R1.53 CCC1CCCCN1C(=O)C 11a_100000210034_100015343762 [1,0,0,1,0,0|1,0,1]=4 5343 B11R1.53 CCC1CCCCN1C(=O)C 1626a_100000210034_100015343762 [1,0,0,1,0,0|1,0,1]=4 5344 B11R1.53 CCC1CCCCN1C(=O)C 240690a_100000210034_100015343762 [1,0,0,1,0,0|1,0,1]=4 5345 B11R1.53 CCC1CCCCN1C(=O)C 527a_100000210034_100103153847 [1,0,0,1,0,0|1,0,1]=4 5346 B11R1.86 CC(=O)NC1CCCCC1C 11a_100000211402_100015343762 [1,0,0,1,0,0|1,0,1]=4 5347 B11R1.86 CC(=O)NC1CCCCC1C 1626a_100000211402_100015343762 [1,0,0,1,0,0|1,0,1]=4 5348 B11R1.86 CC(=O)NC1CCCCC1C 240690a_100000211402_100015343762 [1,0,0,1,0,0|1,0,1]=4 5349 B11R1.86 CC(=O)NC1CCCCC1C 527a_100000211402_100103153847 [1,0,0,1,0,0|1,0,1]=4 5350 B11R1.91 CC(=O)C=CC1=CCCCC1 1458a_100016289660_200000210301 [1,0,0,1,0,0|0,0,2]=4 5351 B11R1.91 CC(=O)C=CC1CCCCC1 1458a_100102566626_200000210301 [1,0,0,1,0,0|0,0,0]=2 5352 B11R1.91 CC(=O)CCC1CCCCC1 1458a_100000070787_100011273959 [1,0,0,1,0,0|0,0,2]=4 5353 B11R1.91 CC(=O)CCC1CCCCC1 1458a_100000211375_200000210301 [1,0,0,1,0,0|0,0,2]=4 5354 B11R1.91 CC(=O)COC1CCCCC1 1458a_100000070787_100011935260 [1,0,0,1,0,0|1,0,1]=4 5355 B11R1.91 CC(=O)COC1CCCCC1 1458a_100011223303_200000210301 [1,0,0,1,0,0|1,0,1]=4 5356 B11R1.91 CC(=O)COC1CCCCC1 34a_100000211253_100000210327 [1,0,0,1,0,0|1,0,1]=4 5357 B11R1.91 CC(=O)NCC1CCCCC1 11a_100000210473_100015343762 [1,0,0,1,0,0|1,0,1]=4 5358 B11R1.91 CC(=O)NCC1CCCCC1 1626a_100000210473_100015343762 [1,0,0,1,0,0|1,0,1]=4 5359 B11R1.91 CC(=O)NCC1CCCCC1 240690a_100000210473_100015343762 [1,0,0,1,0,0|1,0,1]=4 5360 B11R1.91 CC(=O)NCC1CCCCC1 527a_100000210473_100103153847 [1,0,0,1,0,0|1,0,1]=4 5361 B11R1.91 CC(=O)NNC1CCCCC1 22a_100000709804_100000070787 [1,0,0,1,0,0|2,0,0]=4 5362 B11R1.91 O=C(O)CNC1CCCCC1 269956a_100016091260_100000210327 [1,0,0,1,0,0|1,0,1]=4 5363 B11R1.91 [13CH3]C(=O)C=CC1=CCCCC1 1458a_100016289660_200025704644 [1,0,0,1,0,0|0,0,2]=4 5364 B11R1.91 [13CH3]C(=O)C=CC1CCCCC1 1458a_100102566626_200025704644 [1,0,0,1,0,0|0,0,0]=2 5365 B11R1.91 [13CH3]C(=O)CCC1CCCCC1 1458a_100000211375_200025704644 [1,0,0,1,0,0|0,0,2]=4 5366 B11R1.91 [13CH3]C(=O)COC1CCCCC1 1458a_100011223303_200025704644 [1,0,0,1,0,0|1,0,1]=4 5367 B11R1.172 CC(=O)CCCC1CCCC1 1458a_100000070787_100011713738 [1,0,0,1,0,0|0,0,2]=4 5368 B11R1.172 CC(=O)COCC1CCCC1 34a_100000211253_100000740388 [1,0,0,1,0,0|1,0,1]=4 5369 B11R1.172 CC(=O)NCCC1CCCC1 11a_100000739158_100015343762 [1,0,0,1,0,0|1,0,1]=4 5370 B11R1.172 CC(=O)NCCC1CCCC1 1626a_100000739158_100015343762 [1,0,0,1,0,0|1,0,1]=4 5371 B11R1.172 CC(=O)NCCC1CCCC1 240690a_100000739158_100015343762 [1,0,0,1,0,0|1,0,1]=4 5372 B11R1.172 CC(=O)NCCC1CCCC1 527a_100000739158_100103153847 [1,0,0,1,0,0|1,0,1]=4 5373 B11R1.172 O=C(O)CNCC1CCCC1 269956a_100016091260_100000740388 [1,0,0,1,0,0|1,0,1]=4 5374 B11R1.706 CC(=O)N1CCCCCCC1 11a_100000211400_100015343762 [1,0,0,1,0,0|1,0,1]=4 5375 B11R1.706 CC(=O)N1CCCCCCC1 1626a_100000211400_100015343762 [1,0,0,1,0,0|1,0,1]=4 5376 B11R1.706 CC(=O)N1CCCCCCC1 240690a_100000211400_100015343762 [1,0,0,1,0,0|1,0,1]=4 5377 B11R1.706 CC(=O)N1CCCCCCC1 527a_100000211400_100103153847 [1,0,0,1,0,0|1,0,1]=4 5378 B11R1.742 CC(=O)C=C1CCCCCC1 1458a_100011240665_200000210301 [1,0,0,1,0,0|0,0,0]=2 5379 B11R1.742 CC(=O)CC1CCCCCC1 1458a_100000070787_200000696569 [1,0,0,1,0,0|0,0,2]=4 5380 B11R1.742 CC(=O)CC1CCCCCC1 1458a_100000685095_200000210301 [1,0,0,1,0,0|0,0,2]=4 5381 B11R1.742 CC(=O)CN1CCCCCC1 1458a_100000740298_200000210301 [1,0,0,1,0,0|1,0,1]=4 5382 B11R1.742 CC(=O)NC1CCCCCC1 11a_100000210984_100015343762 [1,0,0,1,0,0|1,0,1]=4 5383 B11R1.742 CC(=O)NC1CCCCCC1 1626a_100000210984_100015343762 [1,0,0,1,0,0|1,0,1]=4 5384 B11R1.742 CC(=O)NC1CCCCCC1 240690a_100000210984_100015343762 [1,0,0,1,0,0|1,0,1]=4 5385 B11R1.742 CC(=O)NC1CCCCCC1 527a_100000210984_100103153847 [1,0,0,1,0,0|1,0,1]=4 5386 B11R1.742 [13CH3]C(=O)C=C1CCCCCC1 1458a_100011240665_200025704644 [1,0,0,1,0,0|0,0,0]=2 5387 B11R1.742 [13CH3]C(=O)CC1CCCCCC1 1458a_100000685095_200025704644 [1,0,0,1,0,0|0,0,2]=4 5388 B11R1.742 [13CH3]C(=O)CN1CCCCCC1 1458a_100000740298_200025704644 [1,0,0,1,0,0|1,0,1]=4 5389 B11R1.4 CCCCCSc1ccoc1 62a_100000210326_100011215275 [1,0,0,1,0,0|1,0,1]=4 5390 B11R1.4 CCCCCSc1ccoc1 62a_100011215275_100000210326 [1,0,0,1,0,0|1,0,1]=4 5391 B11R1.4 CCCCCSc1ccon1 62a_100000210326_100009818083 [1,0,0,1,0,0|2,0,0]=4 5392 B11R1.4 CCCCCSc1ccon1 62a_100009818083_100000210326 [1,0,0,1,0,0|2,0,0]=4 5393 B11R1.4 CCCCNCc1ccoc1 207a_100000102301_100011215517 [1,0,0,1,0,0|1,0,1]=4 5394 B11R1.4 CCCCNCc1ccoc1 2230a_100015206860_100000210211 [1,0,0,1,0,0|1,0,1]=4 5395 B11R1.4 CCCCNCc1ccoc1 270004a_100000102301_100011215517 [1,0,0,1,0,0|1,0,1]=4 5396 B11R1.4 CCCCNCc1ccoc1 34a_100015206860_100000210210 [1,0,0,1,0,0|1,0,1]=4 5397 B11R1.4 CCCCNCc1ccon1 2230a_100000102301_100000234950 [1,0,0,1,0,0|2,0,0]=4 5398 B11R1.4 CCCCNCc1ccon1 7a_106832991798_100000234950 [1,0,0,1,0,0|2,0,0]=4 5399 B11R1.4 CCCCOCc1ccoc1 34a_100011215357_100000210210 [1,0,0,1,0,0|1,0,1]=4 5400 B11R1.4 CCCCOCc1ccon1 34a_100000210227_100000234950 [1,0,0,1,0,0|2,0,0]=4 5401 B11R1.4 CCCCOCc1ccon1 7a_100000210227_100000234950 [1,0,0,1,0,0|2,0,0]=4 5402 B11R1.4 CCCCSCc1ccon1 62a_100000210211_100000234950 [1,0,0,1,0,0|2,0,0]=4 5403 B11R1.4 CCCCSCc1ccon1 62a_100000234950_100000210210 [1,0,0,1,0,0|2,0,0]=4 5404 B11R1.47 C/C=C/C=C/COC1CCC1 34a_100016283227_100000749161 [1,0,0,1,0,0|2,0,0]=4 5405 B11R1.25 CCC(=O)CCC1CCCC1 1458a_100000210414_100000760354 [1,0,0,1,0,0|1,0,1]=4 5406 B11R1.25 CCC(=O)CCC1CCCC1 1458a_100000211120_100000210202 [1,0,0,1,0,0|1,0,1]=4 5407 B11R1.25 CCC(=O)NCC1CCCC1 11a_100000737975_100000210414 [1,0,0,1,0,0|2,0,0]=4 5408 B11R1.25 CCC(=O)NCC1CCCC1 1626a_100000737975_100000210414 [1,0,0,1,0,0|2,0,0]=4 5409 B11R1.25 CCC(=O)NCC1CCCC1 240690a_100000737975_100000210414 [1,0,0,1,0,0|2,0,0]=4 5410 B11R1.25 CCC(=O)NCC1CCCC1 527a_100000737975_100000210414 [1,0,0,1,0,0|2,0,0]=4 5411 B11R1.25 CNC(=O)CCC1CCCC1 11a_106832991635_100000211120 [1,0,0,1,0,0|1,0,1]=4 5412 B11R1.25 CNC(=O)CCC1CCCC1 1626a_100102657272_100000211120 [1,0,0,1,0,0|1,0,1]=4 5413 B11R1.25 CNC(=O)CCC1CCCC1 240690a_100102657272_100000211120 [1,0,0,1,0,0|1,0,1]=4 5414 B11R1.25 CNC(=O)CCC1CCCC1 527a_100102657272_100000211120 [1,0,0,1,0,0|1,0,1]=4 5415 B11R1.25 CNC(=O)NCC1CCCC1 2708a_100000737975_106832991635 [1,0,0,1,0,0|2,0,0]=4 5416 B11R1.25 CNC(=O)NCC1CCCC1 2708a_100102657272_100000737975 [1,0,0,1,0,0|2,0,0]=4 5417 B11R1.25 CNC(=O)NCC1CCCC1 273464a_100000737975_100102657272 [1,0,0,1,0,0|2,0,0]=4 5418 B11R1.25 CNC(=O)NCC1CCCC1 273464a_100102657272_100000737975 [1,0,0,1,0,0|2,0,0]=4 5419 B11R1.25 CNC(=O)NCC1CCCC1 512a_100000737975_100102657272 [1,0,0,1,0,0|2,0,0]=4 5420 B11R1.25 CNC(=O)NCC1CCCC1 512a_106832991638_100000737975 [1,0,0,1,0,0|2,0,0]=4 5421 B11R1.25 COC(=O)CCN1CCCC1 2230a_100000188435_100000204255 [1,0,0,1,0,0|1,0,1]=4 5422 B11R1.25 COC(=O)CCN1CCCC1 269982a_100000188435_100000204255 [1,0,0,1,0,0|1,0,1]=4 5423 B11R1.25 COC(=O)CNC1CCCC1 2230a_100000211070_100000747449 [1,0,0,1,0,0|1,0,1]=4 5424 B11R1.25 COC(=O)CNC1CCCC1 34a_100000211070_100000747449 [1,0,0,1,0,0|1,0,1]=4 5425 B11R1.25 COC(=O)COC1CCCC1 34a_100000210269_100000747449 [1,0,0,1,0,0|1,0,1]=4 5426 B11R1.25 COC(=O)COC1CCCC1 7a_100000210269_100000747449 [1,0,0,1,0,0|1,0,1]=4 5427 B11R1.25 COC(=O)CSC1CCCC1 62a_100000747449_100000179811 [1,0,0,1,0,0|1,0,1]=4 5428 B11R1.25 COC(=O)CSC1CCCC1 62a_100011217020_100000747449 [1,0,0,1,0,0|1,0,1]=4 5429 B11R1.40 CCC(=O)C=C1CCCCC1 1458a_100000743792_100000210202 [1,0,0,1,0,0|1,0,0]=3 5430 B11R1.40 CCC(=O)C=C1CCOCC1 1458a_100000761426_100000210202 [1,0,0,1,0,0|2,0,0]=4 5431 B11R1.40 CCC(=O)CC1CCCCC1 1458a_100000210414_100000211423 [1,0,0,1,0,0|1,0,1]=4 5432 B11R1.40 CCC(=O)CC1CCCCC1 1458a_100000211666_100000210202 [1,0,0,1,0,0|1,0,1]=4 5433 B11R1.40 CCC(=O)NC1CCCCC1 11a_100000182618_100000210414 [1,0,0,1,0,0|2,0,0]=4 5434 B11R1.40 CCC(=O)NC1CCCCC1 1626a_100000182618_100000210414 [1,0,0,1,0,0|2,0,0]=4 5435 B11R1.40 CCC(=O)NC1CCCCC1 240690a_100000182618_100000210414 [1,0,0,1,0,0|2,0,0]=4 5436 B11R1.40 CCC(=O)NC1CCCCC1 527a_100000182618_100000210414 [1,0,0,1,0,0|2,0,0]=4 5437 B11R1.40 CNC(=O)C=C1CCCCC1 11a_106832991635_100000743792 [1,0,0,1,0,0|1,0,0]=3 5438 B11R1.40 CNC(=O)C=C1CCCCC1 1626a_100102657272_100000743792 [1,0,0,1,0,0|1,0,0]=3 5439 B11R1.40 CNC(=O)C=C1CCCCC1 240690a_100102657272_100000743792 [1,0,0,1,0,0|1,0,0]=3 5440 B11R1.40 CNC(=O)C=C1CCOCC1 11a_106832991635_100000761426 [1,0,0,1,0,0|2,0,0]=4 5441 B11R1.40 CNC(=O)C=C1CCOCC1 240690a_100102657272_100000761426 [1,0,0,1,0,0|2,0,0]=4 5442 B11R1.40 CNC(=O)CC1CCCCC1 11a_106832991635_100000211666 [1,0,0,1,0,0|1,0,1]=4 5443 B11R1.40 CNC(=O)CC1CCCCC1 1626a_100102657272_100000211666 [1,0,0,1,0,0|1,0,1]=4 5444 B11R1.40 CNC(=O)CC1CCCCC1 240690a_100102657272_100000211666 [1,0,0,1,0,0|1,0,1]=4 5445 B11R1.40 CNC(=O)CC1CCCCC1 527a_100102657272_100000211666 [1,0,0,1,0,0|1,0,1]=4 5446 B11R1.40 CNC(=O)NC1CCCCC1 2708a_100000182618_106832991635 [1,0,0,1,0,0|2,0,0]=4 5447 B11R1.40 CNC(=O)NC1CCCCC1 2708a_100102657272_100000182618 [1,0,0,1,0,0|2,0,0]=4 5448 B11R1.40 CNC(=O)NC1CCCCC1 273464a_100000182618_100102657272 [1,0,0,1,0,0|2,0,0]=4 5449 B11R1.40 CNC(=O)NC1CCCCC1 273464a_100102657272_100000182618 [1,0,0,1,0,0|2,0,0]=4 5450 B11R1.40 O=C(C=C1CCCCC1)CF 1458a_100000743792_100015361967 [1,0,0,1,0,0|2,0,0]=4 5451 B11R1.59 CCC(=O)N1CCCC1CC 11a_100000754278_100000210414 [1,0,0,1,0,0|2,0,0]=4 5452 B11R1.59 CCC(=O)N1CCCC1CC 1626a_100000754278_100000210414 [1,0,0,1,0,0|2,0,0]=4 5453 B11R1.59 CCC(=O)N1CCCC1CC 240690a_100000754278_100000210414 [1,0,0,1,0,0|2,0,0]=4 5454 B11R1.59 CCC(=O)N1CCCC1CC 527a_100000754278_100000210414 [1,0,0,1,0,0|2,0,0]=4 5455 B11R1.59 CCC1CCCN1C(=O)NC 2708a_100102657272_100000754278 [1,0,0,1,0,0|2,0,0]=4 5456 B11R1.59 CCC1CCCN1C(=O)NC 273464a_100102657272_100000754278 [1,0,0,1,0,0|2,0,0]=4 5457 B11R1.59 CCN1CCC[C@H]1C(=O)OC 2230a_100000752040_100000210202 [1,0,0,1,0,0|1,0,1]=4 5458 B11R1.59 CCN1CCC[C@H]1C(=O)OC 269982a_100000752040_100000204670 [1,0,0,1,0,0|1,0,1]=4 5459 B11R1.59 COC(=O)C1CCCC1OC 34a_200000081814_200000210301 [1,0,0,1,0,0|1,0,1]=4 5460 B11R1.59 COC(=O)C1CCCC1OC 7a_200000081814_200000210301 [1,0,0,1,0,0|1,0,1]=4 5461 B11R1.59 COC(=O)C1CCCC1O[13CH3] 34a_200000081814_200025704644 [1,0,0,1,0,0|1,0,1]=4 5462 B11R1.59 COC(=O)C1CCCC1O[13CH3] 7a_200000081814_200025704644 [1,0,0,1,0,0|1,0,1]=4 5463 B11R1.115 CCCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000210303 [1,0,0,1,0,0|1,0,1]=4 5464 B11R1.115 CCCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000210303 [1,0,0,1,0,0|1,0,1]=4 5465 B11R1.218 CCCCN1CC1C(=O)OC 2230a_200009830135_100000210211 [1,0,0,1,0,0|1,0,1]=4 5466 B11R1.222 CCC(=O)C1CCCCC1C 1458a_100011215568_100000210202 [1,0,0,1,0,0|1,0,1]=4 5467 B11R1.222 CCC(=O)N1CCCCC1C 11a_100000211376_100000210414 [1,0,0,1,0,0|2,0,0]=4 5468 B11R1.222 CCC(=O)N1CCCCC1C 1626a_100000211376_100000210414 [1,0,0,1,0,0|2,0,0]=4 5469 B11R1.222 CCC(=O)N1CCCCC1C 240690a_100000211376_100000210414 [1,0,0,1,0,0|2,0,0]=4 5470 B11R1.222 CCC(=O)N1CCCCC1C 527a_100000211376_100000210414 [1,0,0,1,0,0|2,0,0]=4 5471 B11R1.222 CNC(=O)C1CCCCC1C 11a_106832991635_100011215568 [1,0,0,1,0,0|1,0,1]=4 5472 B11R1.222 CNC(=O)C1CCCCC1C 1626a_100102657272_100011215568 [1,0,0,1,0,0|1,0,1]=4 5473 B11R1.222 CNC(=O)C1CCCCC1C 240690a_100102657272_100011215568 [1,0,0,1,0,0|1,0,1]=4 5474 B11R1.222 CNC(=O)C1CCCCC1C 527a_100102657272_100011215568 [1,0,0,1,0,0|1,0,1]=4 5475 B11R1.222 CNC(=O)N1CCCCC1C 2708a_100102657272_100000211376 [1,0,0,1,0,0|2,0,0]=4 5476 B11R1.222 CNC(=O)N1CCCCC1C 273464a_100102657272_100000211376 [1,0,0,1,0,0|2,0,0]=4 5477 B11R1.222 COC(=O)C1CCCCN1C 2230a_100000734855_200000210301 [1,0,0,1,0,0|1,0,1]=4 5478 B11R1.222 COC(=O)C1CCCCN1C 269982a_100000734855_200000210301 [1,0,0,1,0,0|1,0,1]=4 5479 B11R1.222 COC(=O)C1CCCCN1C 34a_100000734855_200000210301 [1,0,0,1,0,0|1,0,1]=4 5480 B11R1.222 COC(=O)C1CCCCN1[13CH3] 2230a_100000734855_200025704644 [1,0,0,1,0,0|1,0,1]=4 5481 B11R1.222 COC(=O)C1CCCCN1[13CH3] 269982a_100000734855_200025704644 [1,0,0,1,0,0|1,0,1]=4 5482 B11R1.222 COC(=O)C1CCCCN1[13CH3] 34a_100000734855_200025704644 [1,0,0,1,0,0|1,0,1]=4 5483 B11R1.223 COC(=O)CCN1CCC1C 269982a_100000755817_100000204255 [1,0,0,1,0,0|1,0,1]=4 5484 B11R1.223 COC(=O)CCN1CCC1C 34a_100000755817_100000742370 [1,0,0,1,0,0|1,0,1]=4 5485 B11R1.228 COC(=O)CN1CCC[C@@H]1C 2230a_100020605311_100000747449 [1,0,0,1,0,0|1,0,1]=4 5486 B11R1.228 COC(=O)CN1CCC[C@@H]1C 269982a_100020605311_100000747449 [1,0,0,1,0,0|1,0,1]=4 5487 B11R1.228 COC(=O)CN1CCC[C@H]1C 2230a_100015189458_100000747449 [1,0,0,1,0,0|1,0,1]=4 5488 B11R1.228 COC(=O)CN1CCC[C@H]1C 269982a_100015189458_100000747449 [1,0,0,1,0,0|1,0,1]=4 5489 B11R1.228 COC(=O)CN1CCC[C@H]1C 34a_100015189458_100000747449 [1,0,0,1,0,0|1,0,1]=4 5490 B11R1.228 COC(=O)C[C@H]1CCCN1C 2230a_100025726698_200000210301 [1,0,0,1,0,0|1,0,1]=4 5491 B11R1.228 COC(=O)C[C@H]1CCCN1C 269982a_100025726698_200000210301 [1,0,0,1,0,0|1,0,1]=4 5492 B11R1.228 COC(=O)C[C@H]1CCCN1C 34a_100025726698_200000210301 [1,0,0,1,0,0|1,0,1]=4 5493 B11R1.228 COC(=O)C[C@H]1CCCN1[13CH3] 2230a_100025726698_200025704644 [1,0,0,1,0,0|1,0,1]=4 5494 B11R1.228 COC(=O)C[C@H]1CCCN1[13CH3] 269982a_100025726698_200025704644 [1,0,0,1,0,0|1,0,1]=4 5495 B11R1.228 COC(=O)C[C@H]1CCCN1[13CH3] 34a_100025726698_200025704644 [1,0,0,1,0,0|1,0,1]=4 5496 B11R1.235 COC(=O)COCC1CC1C 34a_100000744939_100000747449 [1,0,0,1,0,0|1,0,1]=4 5497 B11R1.235 COC(=O)COCC1CC1C 7a_100000744939_100000747449 [1,0,0,1,0,0|1,0,1]=4 5498 B11R1.236 COC(=O)/C=C/CN1CCC1 269982a_100000754969_100000742655 [1,0,0,1,0,0|1,0,0]=3 5499 B11R1.236 COC(=O)C=NNC1CCC1 4a_100000736358_200011823558 [1,0,0,1,0,0|2,0,0]=4 5500 B11R1.236 COC(=O)CCCN1CCC1 269982a_100000754969_100011218270 [1,0,0,1,0,0|1,0,1]=4 5501 B11R1.236 COC(=O)CCNC1CCC1 2230a_100000749019_100000204255 [1,0,0,1,0,0|1,0,1]=4 5502 B11R1.236 COC(=O)CCNC1CCC1 34a_100000749019_100000742370 [1,0,0,1,0,0|1,0,1]=4 5503 B11R1.236 COC(=O)CCOC1CCC1 34a_100000748187_100000742370 [1,0,0,1,0,0|1,0,1]=4 5504 B11R1.236 COC(=O)CCSC1CCC1 62a_100000204255_100000749161 [1,0,0,1,0,0|1,0,1]=4 5505 B11R1.236 COC(=O)CNCC1CCC1 2230a_100000738700_100000747449 [1,0,0,1,0,0|1,0,1]=4 5506 B11R1.236 COC(=O)CNCC1CCC1 34a_100000738700_100000747449 [1,0,0,1,0,0|1,0,1]=4 5507 B11R1.236 COC(=O)COCC1CCC1 34a_100000760304_100000747449 [1,0,0,1,0,0|1,0,1]=4 5508 B11R1.236 COC(=O)CSCC1CCC1 62a_100000747449_100000763275 [1,0,0,1,0,0|1,0,1]=4 5509 B11R1.236 COC(=O)CSCC1CCC1 62a_100000763275_100000747449 [1,0,0,1,0,0|1,0,1]=4 5510 B11R1.237 COC(=O)/C=C/CNC1CC1 34a_100000212008_100000742655 [1,0,0,1,0,0|1,0,0]=3 5511 B11R1.237 COC(=O)/C=C/CSC1CC1 62a_100000742655_100000211595 [1,0,0,1,0,0|1,0,0]=3 5512 B11R1.237 COC(=O)C=NNCC1CC1 4a_100000736359_200011823558 [1,0,0,1,0,0|2,0,0]=4 5513 B11R1.237 COC(=O)CCCNC1CC1 34a_100000212008_100000742333 [1,0,0,1,0,0|1,0,1]=4 5514 B11R1.237 COC(=O)CCCSC1CC1 62a_100011218270_100000211595 [1,0,0,1,0,0|1,0,1]=4 5515 B11R1.237 COC(=O)CCNCC1CC1 2230a_100000735609_100000204255 [1,0,0,1,0,0|1,0,1]=4 5516 B11R1.237 COC(=O)CCNCC1CC1 34a_100000735609_100000742370 [1,0,0,1,0,0|1,0,1]=4 5517 B11R1.237 COC(=O)CCOCC1CC1 34a_100000211283_100000742370 [1,0,0,1,0,0|1,0,1]=4 5518 B11R1.237 COC(=O)CCSCC1CC1 62a_100000204255_100000742324 [1,0,0,1,0,0|1,0,1]=4 5519 B11R1.237 COC(=O)CCSCC1CC1 62a_100000756562_100000204255 [1,0,0,1,0,0|1,0,1]=4 5520 B11R1.237 COC(=O)CNCCC1CC1 34a_100000764129_100000747449 [1,0,0,1,0,0|1,0,1]=4 5521 B11R1.237 COC(=O)COCCC1CC1 34a_100000754188_100000747449 [1,0,0,1,0,0|1,0,1]=4 5522 B11R1.237 COC(=O)COCCC1CC1 7a_100000754188_100000747449 [1,0,0,1,0,0|1,0,1]=4 5523 B11R1.237 COC(=O)CSCCC1CC1 62a_100000747449_100000764125 [1,0,0,1,0,0|1,0,1]=4 5524 B11R1.237 COC(=O)CSCCC1CC1 62a_100000764125_100000747449 [1,0,0,1,0,0|1,0,1]=4 5525 B11R1.237 COC(=O)NCCOC1CC1 34a_100000757965_100000211595 [1,0,0,1,0,0|2,0,0]=4 5526 B11R1.237 COC(=O)OCCOC1CC1 34a_100010262106_100000211595 [1,0,0,1,0,0|2,0,0]=4 5527 B11R1.237 COC(=O)OCSCC1CC1 62a_100000756562_100000139417 [1,0,0,1,0,0|2,0,0]=4 5528 B11R1.852 CCC(=O)C1CCCCCC1 1458a_100000210414_100011217769 [1,0,0,1,0,0|1,0,1]=4 5529 B11R1.852 CCC(=O)C1CCCCCC1 1458a_100000749507_100000210202 [1,0,0,1,0,0|1,0,1]=4 5530 B11R1.852 CCC(=O)N1CCCCCC1 11a_100000185865_100000210414 [1,0,0,1,0,0|2,0,0]=4 5531 B11R1.852 CCC(=O)N1CCCCCC1 1626a_100000185865_100000210414 [1,0,0,1,0,0|2,0,0]=4 5532 B11R1.852 CCC(=O)N1CCCCCC1 240690a_100000185865_100000210414 [1,0,0,1,0,0|2,0,0]=4 5533 B11R1.852 CCC(=O)N1CCCCCC1 527a_100000185865_100000210414 [1,0,0,1,0,0|2,0,0]=4 5534 B11R1.852 CNC(=O)C1CCCCCC1 11a_106832991635_100000749507 [1,0,0,1,0,0|1,0,1]=4 5535 B11R1.852 CNC(=O)C1CCCCCC1 1626a_100102657272_100000749507 [1,0,0,1,0,0|1,0,1]=4 5536 B11R1.852 CNC(=O)C1CCCCCC1 240690a_100102657272_100000749507 [1,0,0,1,0,0|1,0,1]=4 5537 B11R1.852 CNC(=O)C1CCCCCC1 527a_100102657272_100000749507 [1,0,0,1,0,0|1,0,1]=4 5538 B11R1.852 CNC(=O)N1CCCCCC1 2708a_100102657272_100000185865 [1,0,0,1,0,0|2,0,0]=4 5539 B11R1.852 CNC(=O)N1CCCCCC1 273464a_100102657272_100000185865 [1,0,0,1,0,0|2,0,0]=4 5540 B13R1.6 CCCCCCN1CCOC(=O)C1 2230a_100000131268_100000210314 [0,1,0,1,0,0|1,0,1]=4 5541 B13R1.42 C#CCC(=O)C=CC1CCCCC1 1458a_100102566626_100000184674 [0,1,0,1,0,0|1,0,1]=4 5542 B13R1.42 C=CCC(=O)C=CC1CCCCC1 1458a_100102566626_100000210623 [0,1,0,1,0,0|1,0,1]=4 5543 B13R1.42 CCCC(=O)C=CC1CCCCC1 1458a_100102566626_100000210303 [0,1,0,1,0,0|1,0,0]=3 5544 B13R1.42 CCNC(=O)C=CC1CCCCC1 11a_100015525214_100102566626 [0,1,0,1,0,0|1,0,0]=3 5545 B13R1.42 CCNC(=O)C=CC1CCCCC1 240690a_100015525214_100102566626 [0,1,0,1,0,0|1,0,0]=3 5546 B13R1.42 CCOC(=O)CNC1CCCCC1 2230a_100000182618_100000188475 [0,1,0,1,0,0|1,0,1]=4 5547 B13R1.42 CCOC(=O)CNC1CCCCC1 34a_100000182618_100000188475 [0,1,0,1,0,0|1,0,1]=4 5548 B13R1.42 CCOC(=O)COC1CCCCC1 34a_100000210231_100000188475 [0,1,0,1,0,0|1,0,1]=4 5549 B13R1.42 CCOC(=O)COC1CCCCC1 7a_100000210231_100000188475 [0,1,0,1,0,0|1,0,1]=4 5550 B13R1.42 CCOC(=O)CSC1CCCCC1 62a_100000188475_100000210327 [0,1,0,1,0,0|1,0,1]=4 5551 B13R1.42 CCOC(=O)CSC1CCCCC1 62a_100000210327_100000188475 [0,1,0,1,0,0|1,0,1]=4 5552 B13R1.42 CNNC(=O)C=CC1CCCCC1 22a_100016993582_100102566626 [0,1,0,1,0,0|1,0,0]=3 5553 B13R1.42 COCC(=O)CCC1CCCCC1 1458a_100000210968_100011273959 [0,1,0,1,0,0|0,0,2]=4 5554 B13R1.42 COCC(=O)COC1CCCCC1 1458a_100000210968_100011935260 [0,1,0,1,0,0|1,0,1]=4 5555 B13R1.42 COCC(=O)NCC1CCCCC1 11a_100000210473_100000210968 [0,1,0,1,0,0|1,0,1]=4 5556 B13R1.42 COCC(=O)NCC1CCCCC1 1626a_100000210473_100000210968 [0,1,0,1,0,0|1,0,1]=4 5557 B13R1.42 COCC(=O)NCC1CCCCC1 240690a_100000210473_100000210968 [0,1,0,1,0,0|1,0,1]=4 5558 B13R1.42 COCC(=O)NCC1CCCCC1 34a_100138415774_100000183341 [0,1,0,1,0,0|1,0,1]=4 5559 B13R1.42 COCC(=O)NCC1CCCCC1 527a_100000210473_100000210968 [0,1,0,1,0,0|1,0,1]=4 5560 B13R1.42 COCC(=O)NNC1CCCCC1 22a_100000709804_100000210968 [0,1,0,1,0,0|2,0,0]=4 5561 B13R1.42 N#CCC(=O)C=CC1CCCCC1 1458a_100102566626_100011214920 [0,1,0,1,0,0|1,0,1]=4 5562 B13R1.42 O=C(C=CC1CCCCC1)CCF 1458a_100102566626_100011217306 [0,1,0,1,0,0|1,0,0]=3 5563 B13R1.42 O=C(C=CC1CCCCC1)CCO 1458a_100102566626_100000211926 [0,1,0,1,0,0|1,0,0]=3 5564 B13R1.119 CCCCCCC=Cc1ccco1 271570a_200015348155_100009814098 [0,1,0,1,0,0|1,0,1]=4 5565 B13R1.119 CCCCCCC=Cc1ccoc1 271570a_200015348155_100011215275 [0,1,0,1,0,0|1,0,1]=4 5566 B13R1.119 CCCCCCC=Cc1cnco1 271570a_200015348155_100020591547 [0,1,0,1,0,0|1,0,1]=4 5567 B13R1.119 CCCCCCC=Cc1cnoc1 271570a_200015348155_100009815712 [0,1,0,1,0,0|2,0,0]=4 5568 B13R1.119 CCCCCCC=Cc1ncco1 271570a_200015348155_100011787736 [0,1,0,1,0,0|1,0,1]=4 5569 B13R1.190 CCCCOCc1cc(oc1C)C 34a_100000688432_100000210210 [0,1,0,1,0,0|2,0,0]=4 5570 B13R1.190 CCCCOCc1cc(oc1C)C 7a_100000688432_100000210211 [0,1,0,1,0,0|2,0,0]=4 5571 B13R1.190 CCCCSCc1oc(=O)oc1C 62a_100000210211_100000068490 [0,1,0,1,0,0|2,0,0]=4 5572 B13R1.404 CCOC(=O)/C=C/CN1CCCC1 2230a_100000188435_100016267167 [0,1,0,1,0,0|1,0,0]=3 5573 B13R1.404 CCOC(=O)/C=C/CN1CCCC1 269982a_100000188435_100016267167 [0,1,0,1,0,0|1,0,0]=3 5574 B13R1.404 CCOC(=O)/C=C/CN1CCSC1 2230a_100011215254_100016267167 [0,1,0,1,0,0|2,0,0]=4 5575 B13R1.404 CCOC(=O)/C=C/CN1CCSC1 269982a_100011215254_100016267167 [0,1,0,1,0,0|2,0,0]=4 5576 B13R1.404 CCOC(=O)C=NNC1CCCC1 4a_100000737850_100000742314 [0,1,0,1,0,0|2,0,0]=4 5577 B13R1.404 CCOC(=O)CNCC1CCCC1 2230a_100000737975_100000188475 [0,1,0,1,0,0|1,0,1]=4 5578 B13R1.404 CCOC(=O)CNCC1CCCC1 34a_100000737975_100000188475 [0,1,0,1,0,0|1,0,1]=4 5579 B13R1.404 CCOC(=O)COCC1CCCC1 34a_100000742336_100000188475 [0,1,0,1,0,0|1,0,1]=4 5580 B13R1.404 CCOC(=O)COCC1CCCC1 7a_100000742336_100000188475 [0,1,0,1,0,0|1,0,1]=4 5581 B13R1.404 CCOC(=O)CSCC1CCCC1 62a_100000188475_100000740388 [0,1,0,1,0,0|1,0,1]=4 5582 B13R1.404 CCOC(=O)CSCC1CCCC1 62a_100000740388_100000188475 [0,1,0,1,0,0|1,0,1]=4 5583 B13R1.404 COCC(=O)CCCC1CCCC1 1458a_100000210968_100011713738 [0,1,0,1,0,0|0,0,2]=4 5584 B13R1.404 COCC(=O)NCCC1CCCC1 11a_100000739158_100000210968 [0,1,0,1,0,0|1,0,1]=4 5585 B13R1.404 COCC(=O)NCCC1CCCC1 1626a_100000739158_100000210968 [0,1,0,1,0,0|1,0,1]=4 5586 B13R1.404 COCC(=O)NCCC1CCCC1 240690a_100000739158_100000210968 [0,1,0,1,0,0|1,0,1]=4 5587 B13R1.404 COCC(=O)NCCC1CCCC1 527a_100000739158_100000210968 [0,1,0,1,0,0|1,0,1]=4 5588 B13R1.443 CCOC(=O)CN1CCCC1CC 2230a_100000754278_100000188475 [0,1,0,1,0,0|1,0,1]=4 5589 B13R1.443 CCOC(=O)CN1CCCC1CC 269982a_100000754278_100000188475 [0,1,0,1,0,0|1,0,1]=4 5590 B13R1.443 CCOC(=O)CN1CCCC1CC 34a_100000754278_100000188475 [0,1,0,1,0,0|1,0,1]=4 5591 B13R1.444 CCOC(=O)COC1CCCC1C 34a_100011216460_100000188475 [0,1,0,1,0,0|1,0,1]=4 5592 B13R1.444 CCOC(=O)COC1CCCC1C 7a_100011216460_100000188475 [0,1,0,1,0,0|1,0,1]=4 5593 B13R1.447 CCOC(=O)/C=C/CN[C@@H]1C[C@@H]1F 2230a_100015190264_100016267167 [0,1,0,1,0,0|2,0,0]=4 5594 B13R1.447 CCOC(=O)/C=C/CN[C@@H]1C[C@H]1F 2230a_100025746932_100016267167 [0,1,0,1,0,0|2,0,0]=4 5595 B13R1.447 CCOC(=O)/C=C/CN[C@@H]1C[C@H]1F 34a_100025746932_100016267167 [0,1,0,1,0,0|2,0,0]=4 5596 B13R1.448 CCOC(=O)/C=C/CNC1CCC1 2230a_100000749019_100016267167 [0,1,0,1,0,0|1,0,0]=3 5597 B13R1.448 CCOC(=O)/C=C/CNC1CCC1 34a_100000749019_100016267167 [0,1,0,1,0,0|1,0,0]=3 5598 B13R1.448 CCOC(=O)/C=C/CNC1COC1 2230a_100016991112_100016267167 [0,1,0,1,0,0|2,0,0]=4 5599 B13R1.448 CCOC(=O)/C=C/COC1CCC1 34a_100000748187_100016267167 [0,1,0,1,0,0|1,0,0]=3 5600 B13R1.448 CCOC(=O)/C=C/COC1CSC1 7a_100000072292_100016267167 [0,1,0,1,0,0|2,0,0]=4 5601 B13R1.448 CCOC(=O)/C=C/CSC1CCC1 62a_100016267167_100000749161 [0,1,0,1,0,0|1,0,0]=3 5602 B13R1.448 CCOC(=O)/C=C/CSC1COC1 62a_100016267167_100009818527 [0,1,0,1,0,0|2,0,0]=4 5603 B13R1.448 CCOC(=O)C=NNCC1CCC1 4a_200020586977_100000742314 [0,1,0,1,0,0|2,0,0]=4 5604 B13R1.453 CCOC(=O)/C=C/CNCC1CC1 2230a_100000735609_100016267167 [0,1,0,1,0,0|1,0,0]=3 5605 B13R1.453 CCOC(=O)/C=C/CNCC1CC1 34a_100000735609_100016267167 [0,1,0,1,0,0|1,0,0]=3 5606 B13R1.453 CCOC(=O)/C=C/COCC1CC1 34a_100000211283_100016267167 [0,1,0,1,0,0|1,0,0]=3 5607 B13R1.453 CCOC(=O)/C=C/COC[C@@H]1CO1 34a_100000757423_100016267167 [0,1,0,1,0,0|2,0,0]=4 5608 B13R1.453 CCOC(=O)/C=C/CSCC1CC1 62a_100000756562_100016267167 [0,1,0,1,0,0|1,0,0]=3 5609 B13R1.453 CCOC(=O)/C=C/CSCC1CC1 62a_100016267167_100000742324 [0,1,0,1,0,0|1,0,0]=3 5610 B13R1.453 CCOC(=O)/C=C/CSCC1CO1 62a_100016267167_102125554688 [0,1,0,1,0,0|2,0,0]=4 5611 B13R1.453 CCOC(=O)/C=C/CSCC1CO1 62a_102125554688_100016267167 [0,1,0,1,0,0|2,0,0]=4 5612 B13R1.453 CCOC(=O)/C=C/CSCC1CS1 62a_100000031435_100016267167 [0,1,0,1,0,0|2,0,0]=4 5613 B13R1.453 CCOC(=O)/C=C/CSCC1CS1 62a_100016267167_100000031435 [0,1,0,1,0,0|2,0,0]=4 5614 B13R1.453 CCOC(=O)/C=C/CSC[C@@H]1CO1 62a_100000745022_100016267167 [0,1,0,1,0,0|2,0,0]=4 5615 B13R1.453 CCOC(=O)/C=C/CSC[C@@H]1CO1 62a_100016267167_100000745022 [0,1,0,1,0,0|2,0,0]=4 5616 B13R1.461 CCOC(=O)/C=C/CN1CCC1C 269982a_100000755817_100016267167 [0,1,0,1,0,0|1,0,0]=3 5617 B13R1.461 CCOC(=O)/C=C/CN1CCC1C 34a_100000755817_100016267167 [0,1,0,1,0,0|1,0,0]=3 5618 B13R1.464 CCC1CCCCN1C(=O)COC 11a_100000210034_100000210968 [0,1,0,1,0,0|1,0,1]=4 5619 B13R1.464 CCC1CCCCN1C(=O)COC 1626a_100000210034_100000210968 [0,1,0,1,0,0|1,0,1]=4 5620 B13R1.464 CCC1CCCCN1C(=O)COC 240690a_100000210034_100000210968 [0,1,0,1,0,0|1,0,1]=4 5621 B13R1.464 CCC1CCCCN1C(=O)COC 34a_100138415774_100000183412 [0,1,0,1,0,0|1,0,1]=4 5622 B13R1.464 CCC1CCCCN1C(=O)COC 527a_100000210034_100000210968 [0,1,0,1,0,0|1,0,1]=4 5623 B13R1.470 CCOC(=O)CN1CCCCC1C 2230a_100000211376_100000188475 [0,1,0,1,0,0|1,0,1]=4 5624 B13R1.470 CCOC(=O)CN1CCCCC1C 269982a_100000211376_100000188475 [0,1,0,1,0,0|1,0,1]=4 5625 B13R1.470 CCOC(=O)CN1CCCCC1C 34a_100000211376_100000188475 [0,1,0,1,0,0|1,0,1]=4 5626 B13R1.470 COCC(=O)NC1CCCCC1C 11a_100000211402_100000210968 [0,1,0,1,0,0|1,0,1]=4 5627 B13R1.470 COCC(=O)NC1CCCCC1C 1626a_100000211402_100000210968 [0,1,0,1,0,0|1,0,1]=4 5628 B13R1.470 COCC(=O)NC1CCCCC1C 240690a_100000211402_100000210968 [0,1,0,1,0,0|1,0,1]=4 5629 B13R1.470 COCC(=O)NC1CCCCC1C 34a_100138415774_100000182742 [0,1,0,1,0,0|1,0,1]=4 5630 B13R1.470 COCC(=O)NC1CCCCC1C 527a_100000211402_100000210968 [0,1,0,1,0,0|1,0,1]=4 5631 B13R1.654 CCCCCCNC1CCOC1=O 2230a_100000210581_100000211211 [0,1,0,1,0,0|1,0,1]=4 5632 B13R1.654 CCCCCCN[C@@H]1CONC1=O 2230a_100000765999_100000210314 [0,1,0,1,0,0|1,0,1]=4 5633 B13R1.654 CCCCCCN[C@@H]1CONC1=O 34a_100000765999_100000210314 [0,1,0,1,0,0|1,0,1]=4 5634 B13R1.654 CCCCCCOC1CCOC1=O 34a_100000210259_100000211211 [0,1,0,1,0,0|1,0,1]=4 5635 B13R1.654 CCCCCCOC1CCOC1=O 7a_100000210259_100000211211 [0,1,0,1,0,0|1,0,1]=4 5636 B13R1.654 CCCCCCSC1CCOC1=O 62a_100000210314_100000211211 [0,1,0,1,0,0|1,0,1]=4 5637 B13R1.654 CCCCCCSC1CCOC1=O 62a_100000211211_100000210757 [0,1,0,1,0,0|1,0,1]=4 5638 B13R1.1464 COCC(=O)N1CCCCCCC1 11a_100000211400_100000210968 [0,1,0,1,0,0|1,0,1]=4 5639 B13R1.1464 COCC(=O)N1CCCCCCC1 1626a_100000211400_100000210968 [0,1,0,1,0,0|1,0,1]=4 5640 B13R1.1464 COCC(=O)N1CCCCCCC1 240690a_100000211400_100000210968 [0,1,0,1,0,0|1,0,1]=4 5641 B13R1.1464 COCC(=O)N1CCCCCCC1 34a_100138415774_100000230191 [0,1,0,1,0,0|1,0,1]=4 5642 B13R1.1464 COCC(=O)N1CCCCCCC1 527a_100000211400_100000210968 [0,1,0,1,0,0|1,0,1]=4 5643 B13R1.1575 C#CCC(=O)C=C1CCCCCC1 1458a_100011240665_100000184674 [0,1,0,1,0,0|1,0,1]=4 5644 B13R1.1575 C=CCC(=O)C=C1CCCCCC1 1458a_100011240665_100000210623 [0,1,0,1,0,0|1,0,1]=4 5645 B13R1.1575 CCCC(=O)C=C1CCCCCC1 1458a_100011240665_100000210303 [0,1,0,1,0,0|1,0,0]=3 5646 B13R1.1575 CCNC(=O)C=C1CCCCCC1 11a_100015525214_100011240665 [0,1,0,1,0,0|1,0,0]=3 5647 B13R1.1575 CCNC(=O)C=C1CCCCCC1 240690a_100015525214_100011240665 [0,1,0,1,0,0|1,0,0]=3 5648 B13R1.1575 CCOC(=O)CN1CCCCCC1 2230a_100000185865_100000188475 [0,1,0,1,0,0|1,0,1]=4 5649 B13R1.1575 CCOC(=O)CN1CCCCCC1 269982a_100000185865_100000188475 [0,1,0,1,0,0|1,0,1]=4 5650 B13R1.1575 CCOC(=O)CN1CCCCCC1 34a_100000185865_100000188475 [0,1,0,1,0,0|1,0,1]=4 5651 B13R1.1575 CNNC(=O)C=C1CCCCCC1 22a_100016993582_100011240665 [0,1,0,1,0,0|1,0,0]=3 5652 B13R1.1575 COCC(=O)CC1CCCCCC1 1458a_100000210968_200000696569 [0,1,0,1,0,0|0,0,2]=4 5653 B13R1.1575 COCC(=O)NC1CCCCCC1 11a_100000210984_100000210968 [0,1,0,1,0,0|1,0,1]=4 5654 B13R1.1575 COCC(=O)NC1CCCCCC1 1626a_100000210984_100000210968 [0,1,0,1,0,0|1,0,1]=4 5655 B13R1.1575 COCC(=O)NC1CCCCCC1 240690a_100000210984_100000210968 [0,1,0,1,0,0|1,0,1]=4 5656 B13R1.1575 COCC(=O)NC1CCCCCC1 34a_100138415774_100000183474 [0,1,0,1,0,0|1,0,1]=4 5657 B13R1.1575 COCC(=O)NC1CCCCCC1 527a_100000210984_100000210968 [0,1,0,1,0,0|1,0,1]=4 5658 B13R1.1575 N#CCC(=O)C=C1CCCCCC1 1458a_100011240665_100011214920 [0,1,0,1,0,0|1,0,1]=4 5659 B13R1.1575 O=C(C=C1CCCCCC1)CCF 1458a_100011240665_100011217306 [0,1,0,1,0,0|1,0,0]=3 5660 B13R1.1575 O=C(C=C1CCCCCC1)CCO 1458a_100011240665_100000211926 [0,1,0,1,0,0|1,0,0]=3 5661 B13R1.3151 CCCCCCCCC(=O)C1CO1 1458a_100000701028_100000210759 [0,1,0,1,0,0|0,0,2]=4 5662 B13R1.3151 CCCCCCCNC(=O)C1CO1 11a_100000229938_100000701028 [0,1,0,1,0,0|1,0,1]=4 5663 B13R1.3151 CCCCCCCNC(=O)C1CO1 1626a_100000229938_100000701028 [0,1,0,1,0,0|1,0,1]=4 5664 B13R1.3151 CCCCCCCNC(=O)C1CO1 240690a_100000229938_100000701028 [0,1,0,1,0,0|1,0,1]=4 5665 B13R1.3151 CCCCCCCNC(=O)C1CO1 527a_100000229938_100000701028 [0,1,0,1,0,0|1,0,1]=4 5666 B13R1.102 CCC1CCCN1C(=O)C(=O)NC 1626a_100000754278_100011218921 [0,1,0,1,0,0|2,0,0]=4 5667 B13R1.102 CCC1CCCN1C(=O)C(=O)NC 240690a_100000754278_100011218921 [0,1,0,1,0,0|2,0,0]=4 5668 B13R1.102 CCC1CCCN1C(=O)C(=O)NC 527a_100000754278_100011218921 [0,1,0,1,0,0|2,0,0]=4 5669 B13R1.102 CCC1CCCN1C(=O)C(=O)OC 11a_100000754278_100000024059 [0,1,0,1,0,0|1,0,0]=3 5670 B13R1.102 CCC1CCCN1C(=O)C(=O)OC 1626a_100000754278_100000024059 [0,1,0,1,0,0|1,0,0]=3 5671 B13R1.102 CCC1CCCN1C(=O)C(=O)OC 240690a_100000754278_100000024059 [0,1,0,1,0,0|1,0,0]=3 5672 B13R1.102 CCC1CCCN1C(=O)C(=O)OC 527a_100000754278_100000024059 [0,1,0,1,0,0|1,0,0]=3 5673 B13R1.102 CCC1CCCN1C(C)C(=O)OC 2230a_100000754278_100000211248 [0,1,0,1,0,0|1,0,1]=4 5674 B13R1.102 CCC1CCCN1C(C)C(=O)OC 269982a_100000754278_100000211248 [0,1,0,1,0,0|1,0,1]=4 5675 B13R1.102 CCC1CCCN1C(C)C(=O)OC 34a_100000754278_100000211248 [0,1,0,1,0,0|1,0,1]=4 5676 B13R1.102 COC(=O)C(=O)N1CCC[C@@H]1CO 240690a_100000745186_100000024059 [0,1,0,1,0,0|2,0,0]=4 5677 B13R1.102 COC(=O)C(=O)N1CCC[C@@H]1CO 527a_100000745186_100000024059 [0,1,0,1,0,0|2,0,0]=4 5678 B13R1.135 CCC(=O)C(=O)NC1CCCCC1 1458a_200011297149_100000210202 [0,1,0,1,0,0|2,0,0]=4 5679 B13R1.135 CNC(=O)C(=O)CC1CCCCC1 1458a_100011218921_100000211423 [0,1,0,1,0,0|1,0,1]=4 5680 B13R1.135 CNC(=O)C(=O)NC1CCCCC1 1626a_100000182618_100011218921 [0,1,0,1,0,0|2,0,0]=4 5681 B13R1.135 CNC(=O)C(=O)NC1CCCCC1 1626a_100102657272_200011297149 [0,1,0,1,0,0|2,0,0]=4 5682 B13R1.135 CNC(=O)C(=O)NC1CCCCC1 240690a_100000182618_100011218921 [0,1,0,1,0,0|2,0,0]=4 5683 B13R1.135 CNC(=O)C(=O)NC1CCCCC1 240690a_100102657272_200011297149 [0,1,0,1,0,0|2,0,0]=4 5684 B13R1.135 CNC(=O)C(=O)NC1CCCCC1 527a_100000182618_100011218921 [0,1,0,1,0,0|2,0,0]=4 5685 B13R1.135 CNC(=O)C(=O)NC1CCCCC1 527a_100102657272_200011297149 [0,1,0,1,0,0|2,0,0]=4 5686 B13R1.135 COC(=O)C(=O)NC1CCCCC1 11a_100000182618_100000024059 [0,1,0,1,0,0|1,0,0]=3 5687 B13R1.135 COC(=O)C(=O)NC1CCCCC1 1626a_100000182618_100000024059 [0,1,0,1,0,0|1,0,0]=3 5688 B13R1.135 COC(=O)C(=O)NC1CCCCC1 240690a_100000182618_100000024059 [0,1,0,1,0,0|1,0,0]=3 5689 B13R1.135 COC(=O)C(=O)NC1CCCCC1 527a_100000182618_100000024059 [0,1,0,1,0,0|1,0,0]=3 5690 B13R1.135 COC(=O)C(=O)NC1CCCOC1 11a_100000719290_100000024059 [0,1,0,1,0,0|2,0,0]=4 5691 B13R1.135 COC(=O)C(=O)NC1CCCOC1 1626a_100000719290_100000024059 [0,1,0,1,0,0|2,0,0]=4 5692 B13R1.135 COC(=O)C(=O)NC1CCCOC1 240690a_100000719290_100000024059 [0,1,0,1,0,0|2,0,0]=4 5693 B13R1.135 COC(=O)C(=O)NC1CCCOC1 527a_100000719290_100000024059 [0,1,0,1,0,0|2,0,0]=4 5694 B13R1.135 COC(=O)C(=O)NC1CCOCC1 11a_100000741149_100000024059 [0,1,0,1,0,0|2,0,0]=4 5695 B13R1.135 COC(=O)C(=O)NC1CCOCC1 1626a_100000741149_100000024059 [0,1,0,1,0,0|2,0,0]=4 5696 B13R1.135 COC(=O)C(=O)NC1CCOCC1 240690a_100000741149_100000024059 [0,1,0,1,0,0|2,0,0]=4 5697 B13R1.135 COC(=O)C(=O)NC1CCOCC1 527a_100000741149_100000024059 [0,1,0,1,0,0|2,0,0]=4 5698 B13R1.135 COC(=O)C(=O)NC1CCSCC1 11a_100000748639_100000024059 [0,1,0,1,0,0|2,0,0]=4 5699 B13R1.135 COC(=O)C(=O)NC1CCSCC1 1626a_100000748639_100000024059 [0,1,0,1,0,0|2,0,0]=4 5700 B13R1.135 COC(=O)C(=O)NC1CCSCC1 240690a_100000748639_100000024059 [0,1,0,1,0,0|2,0,0]=4 5701 B13R1.135 COC(=O)C(=O)NC1CCSCC1 527a_100000748639_100000024059 [0,1,0,1,0,0|2,0,0]=4 5702 B13R1.135 COC(=O)C(C)NC1CCCCC1 2230a_100000182618_100000211248 [0,1,0,1,0,0|1,0,1]=4 5703 B13R1.135 COC(=O)C(C)NC1CCCCC1 34a_100000182618_100000211248 [0,1,0,1,0,0|1,0,1]=4 5704 B13R1.135 COC(=O)C(C)OC1CCCCC1 34a_100000210231_100000211248 [0,1,0,1,0,0|1,0,1]=4 5705 B13R1.135 COC(=O)C(C)OC1CCCCC1 34a_100011215400_100000210327 [0,1,0,1,0,0|1,0,1]=4 5706 B13R1.135 COC(=O)C(C)OC1CCCCC1 7a_100000210231_100000211248 [0,1,0,1,0,0|1,0,1]=4 5707 B13R1.135 COC(=O)C(C)SC1CCCCC1 62a_100000210327_100000211248 [0,1,0,1,0,0|1,0,1]=4 5708 B13R1.135 COC(=O)C(C)SC1CCCCC1 62a_100000211248_100000210327 [0,1,0,1,0,0|1,0,1]=4 5709 B13R1.217 COCC1CCN1C(=O)C(=O)OC 11a_100015195929_100000024059 [0,1,0,1,0,0|2,0,0]=4 5710 B13R1.217 COCC1CCN1C(=O)C(=O)OC 1626a_100015195929_100000024059 [0,1,0,1,0,0|2,0,0]=4 5711 B13R1.217 COCC1CCN1C(=O)C(=O)OC 240690a_100015195929_100000024059 [0,1,0,1,0,0|2,0,0]=4 5712 B13R1.217 COCC1CCN1C(=O)C(=O)OC 527a_100015195929_100000024059 [0,1,0,1,0,0|2,0,0]=4 5713 B13R1.495 CCCCc1cc(c[nH]1)C(=O)OC 271570a_100020621405_100009840242 [0,1,0,1,0,0|1,0,1]=4 5714 B13R1.495 CCCCc1cc(cs1)C(=O)OC 271570a_100020621405_100000692058 [0,1,0,1,0,0|1,0,1]=4 5715 B13R1.495 CCCCc1ccc([nH]1)C(=O)OC 271570a_100020621405_100000687774 [0,1,0,1,0,0|0,0,2]=4 5716 B13R1.495 CCCCc1ccc(o1)C(=O)OC 271570a_100020621405_100000148852 [0,1,0,1,0,0|0,0,2]=4 5717 B13R1.495 CCCCc1ccc(s1)C(=O)OC 271570a_100020621405_100000148107 [0,1,0,1,0,0|0,0,2]=4 5718 B13R1.495 CCCCc1nc(co1)C(=O)OC 271570a_100020621405_100010235569 [0,1,0,1,0,0|1,0,1]=4 5719 B13R1.495 CCCCc1nc(cs1)C(=O)OC 271570a_100020621405_100009816811 [0,1,0,1,0,0|1,0,1]=4 5720 B13R1.495 CCCCc1ncc([nH]1)C(=O)OC 271570a_100020621405_106744473586 [0,1,0,1,0,0|1,0,1]=4 5721 B13R1.495 CCCCc1ncc(s1)C(=O)OC 271570a_100020621405_100000738003 [0,1,0,1,0,0|1,0,1]=4 5722 B13R1.554 C=C(CNC1CCCC1)C(=O)OC 34a_100000211070_100009813391 [0,1,0,1,0,0|1,0,1]=4 5723 B13R1.554 C=C(COC1CCCC1)C(=O)OC 34a_100000210269_100009813391 [0,1,0,1,0,0|1,0,1]=4 5724 B13R1.554 C=C(CSC1CCCC1)C(=O)OC 62a_100009813391_100000179811 [0,1,0,1,0,0|1,0,1]=4 5725 B13R1.554 C=C(CSC1CCCC1)C(=O)OC 62a_100011217020_100009813391 [0,1,0,1,0,0|1,0,1]=4 5726 B13R1.554 CNC(=O)C(=O)CCC1CCCC1 1458a_100011218921_100000760354 [0,1,0,1,0,0|1,0,1]=4 5727 B13R1.554 CNC(=O)C(=O)NCC1CCCC1 1626a_100000737975_100011218921 [0,1,0,1,0,0|2,0,0]=4 5728 B13R1.554 CNC(=O)C(=O)NCC1CCCC1 240690a_100000737975_100011218921 [0,1,0,1,0,0|2,0,0]=4 5729 B13R1.554 CNC(=O)C(=O)NCC1CCCC1 527a_100000737975_100011218921 [0,1,0,1,0,0|2,0,0]=4 5730 B13R1.554 COC(=O)C(=NNC1CCCC1)C 4a_100000737850_100000211753 [0,1,0,1,0,0|2,0,0]=4 5731 B13R1.554 COC(=O)C(=O)CNC1CCCC1 34a_100000211070_100011610305 [0,1,0,1,0,0|1,0,1]=4 5732 B13R1.554 COC(=O)C(=O)COC1CCCC1 34a_100000210269_100011610305 [0,1,0,1,0,0|1,0,1]=4 5733 B13R1.554 COC(=O)C(=O)CSC1CCCC1 62a_100011217020_100011610305 [0,1,0,1,0,0|1,0,1]=4 5734 B13R1.554 COC(=O)C(=O)CSC1CCCC1 62a_100011610305_100000179811 [0,1,0,1,0,0|1,0,1]=4 5735 B13R1.554 COC(=O)C(=O)NCC1CCCC1 11a_100000737975_100000024059 [0,1,0,1,0,0|1,0,0]=3 5736 B13R1.554 COC(=O)C(=O)NCC1CCCC1 1626a_100000737975_100000024059 [0,1,0,1,0,0|1,0,0]=3 5737 B13R1.554 COC(=O)C(=O)NCC1CCCC1 240690a_100000737975_100000024059 [0,1,0,1,0,0|1,0,0]=3 5738 B13R1.554 COC(=O)C(=O)NCC1CCCC1 527a_100000737975_100000024059 [0,1,0,1,0,0|1,0,0]=3 5739 B13R1.554 COC(=O)C(=O)NCC1CCOC1 11a_100000737293_100000024059 [0,1,0,1,0,0|2,0,0]=4 5740 B13R1.554 COC(=O)C(=O)NCC1CCOC1 1626a_100000737293_100000024059 [0,1,0,1,0,0|2,0,0]=4 5741 B13R1.554 COC(=O)C(=O)NCC1CCOC1 240690a_100000737293_100000024059 [0,1,0,1,0,0|2,0,0]=4 5742 B13R1.554 COC(=O)C(=O)NCC1CCOC1 527a_100000737293_100000024059 [0,1,0,1,0,0|2,0,0]=4 5743 B13R1.554 COC(=O)C(=O)NC[C@@H]1CCCO1 11a_100020590478_100000024059 [0,1,0,1,0,0|2,0,0]=4 5744 B13R1.554 COC(=O)C(=O)NC[C@@H]1CCCO1 1626a_100020590478_100000024059 [0,1,0,1,0,0|2,0,0]=4 5745 B13R1.554 COC(=O)C(=O)NC[C@@H]1CCCO1 240690a_100020590478_100000024059 [0,1,0,1,0,0|2,0,0]=4 5746 B13R1.554 COC(=O)C(=O)NC[C@@H]1CCCO1 527a_100020590478_100000024059 [0,1,0,1,0,0|2,0,0]=4 5747 B13R1.554 COC(=O)C(C)NCC1CCCC1 2230a_100000737975_100000211248 [0,1,0,1,0,0|1,0,1]=4 5748 B13R1.554 COC(=O)C(C)NCC1CCCC1 34a_100000737975_100000211248 [0,1,0,1,0,0|1,0,1]=4 5749 B13R1.554 COC(=O)C(C)OCC1CCCC1 34a_100000742336_100000211248 [0,1,0,1,0,0|1,0,1]=4 5750 B13R1.554 COC(=O)C(C)OCC1CCCC1 34a_100011215400_100000740388 [0,1,0,1,0,0|1,0,1]=4 5751 B13R1.554 COC(=O)C(C)OCC1CCCC1 7a_100000742336_100000211248 [0,1,0,1,0,0|1,0,1]=4 5752 B13R1.554 COC(=O)C(C)SCC1CCCC1 62a_100000211248_100000740388 [0,1,0,1,0,0|1,0,1]=4 5753 B13R1.554 COC(=O)C(C)SCC1CCCC1 62a_100000740388_100000211248 [0,1,0,1,0,0|1,0,1]=4 5754 B13R1.696 CNC(=O)C(=O)N1CCCCC1C 1626a_100000211376_100011218921 [0,1,0,1,0,0|2,0,0]=4 5755 B13R1.696 CNC(=O)C(=O)N1CCCCC1C 1626a_100102657272_200011297153 [0,1,0,1,0,0|2,0,0]=4 5756 B13R1.696 CNC(=O)C(=O)N1CCCCC1C 240690a_100000211376_100011218921 [0,1,0,1,0,0|2,0,0]=4 5757 B13R1.696 CNC(=O)C(=O)N1CCCCC1C 240690a_100102657272_200011297153 [0,1,0,1,0,0|2,0,0]=4 5758 B13R1.696 CNC(=O)C(=O)N1CCCCC1C 527a_100000211376_100011218921 [0,1,0,1,0,0|2,0,0]=4 5759 B13R1.696 CNC(=O)C(=O)N1CCCCC1C 527a_100102657272_200011297153 [0,1,0,1,0,0|2,0,0]=4 5760 B13R1.696 COC(=O)C(=O)N1CCCCC1C 11a_100000211376_100000024059 [0,1,0,1,0,0|1,0,0]=3 5761 B13R1.696 COC(=O)C(=O)N1CCCCC1C 1626a_100000211376_100000024059 [0,1,0,1,0,0|1,0,0]=3 5762 B13R1.696 COC(=O)C(=O)N1CCCCC1C 240690a_100000211376_100000024059 [0,1,0,1,0,0|1,0,0]=3 5763 B13R1.696 COC(=O)C(=O)N1CCCCC1C 527a_100000211376_100000024059 [0,1,0,1,0,0|1,0,0]=3 5764 B13R1.696 COC(=O)C(=O)N1CCOC[C@@H]1C 11a_100009815349_100000024059 [0,1,0,1,0,0|2,0,0]=4 5765 B13R1.696 COC(=O)C(=O)N1CCOC[C@@H]1C 240690a_100009815349_100000024059 [0,1,0,1,0,0|2,0,0]=4 5766 B13R1.696 COC(=O)C(=O)N1CCOC[C@@H]1C 527a_100009815349_100000024059 [0,1,0,1,0,0|2,0,0]=4 5767 B13R1.696 COC(=O)C(C)N1CCCCC1C 2230a_100000211376_100000211248 [0,1,0,1,0,0|1,0,1]=4 5768 B13R1.696 COC(=O)C(C)N1CCCCC1C 269982a_100000211376_100000211248 [0,1,0,1,0,0|1,0,1]=4 5769 B13R1.696 COC(=O)C(C)N1CCCCC1C 34a_100000211376_100000211248 [0,1,0,1,0,0|1,0,1]=4 5770 B13R1.697 C=C(CNCCC1CC1)C(=O)OC 34a_100000764129_100009813391 [0,1,0,1,0,0|1,0,1]=4 5771 B13R1.697 C=C(COCCC1CC1)C(=O)OC 34a_100000754188_100009813391 [0,1,0,1,0,0|1,0,1]=4 5772 B13R1.697 C=C(CSCCC1CC1)C(=O)OC 62a_100000764125_100009813391 [0,1,0,1,0,0|1,0,1]=4 5773 B13R1.697 C=C(CSCCC1CC1)C(=O)OC 62a_100009813391_100000764125 [0,1,0,1,0,0|1,0,1]=4 5774 B13R1.697 COC(=O)C(=O)CNCCC1CC1 34a_100000764129_100011610305 [0,1,0,1,0,0|1,0,1]=4 5775 B13R1.697 COC(=O)C(=O)COCCC1CC1 34a_100000754188_100011610305 [0,1,0,1,0,0|1,0,1]=4 5776 B13R1.697 COC(=O)C(=O)CSCCC1CC1 62a_100000764125_100011610305 [0,1,0,1,0,0|1,0,1]=4 5777 B13R1.697 COC(=O)C(=O)CSCCC1CC1 62a_100011610305_100000764125 [0,1,0,1,0,0|1,0,1]=4 5778 B13R1.702 C=C(CNCC1CCC1)C(=O)OC 34a_100000738700_100009813391 [0,1,0,1,0,0|1,0,1]=4 5779 B13R1.702 C=C(COCC1CCC1)C(=O)OC 34a_100000760304_100009813391 [0,1,0,1,0,0|1,0,1]=4 5780 B13R1.702 C=C(CSCC1CCC1)C(=O)OC 62a_100000763275_100009813391 [0,1,0,1,0,0|1,0,1]=4 5781 B13R1.702 C=C(CSCC1CCC1)C(=O)OC 62a_100009813391_100000763275 [0,1,0,1,0,0|1,0,1]=4 5782 B13R1.702 COC(=O)C(=NNCC1CCC1)C 4a_200020586977_100000211753 [0,1,0,1,0,0|2,0,0]=4 5783 B13R1.702 COC(=O)C(=O)CNCC1CCC1 34a_100000738700_100011610305 [0,1,0,1,0,0|1,0,1]=4 5784 B13R1.702 COC(=O)C(=O)COCC1CCC1 34a_100000760304_100011610305 [0,1,0,1,0,0|1,0,1]=4 5785 B13R1.702 COC(=O)C(=O)CSCC1CCC1 62a_100000763275_100011610305 [0,1,0,1,0,0|1,0,1]=4 5786 B13R1.702 COC(=O)C(=O)CSCC1CCC1 62a_100011610305_100000763275 [0,1,0,1,0,0|1,0,1]=4 5787 B13R1.702 COC(=O)C(=O)NCCN1CCC1 240690a_100000691440_100000024059 [0,1,0,1,0,0|2,0,0]=4 5788 B13R1.704 C=C(CN1CCC[C@H]1C)C(=O)OC 34a_100015189458_100009813391 [0,1,0,1,0,0|1,0,1]=4 5789 B13R1.704 COC(=O)C(=O)CN1CCC[C@H]1C 34a_100015189458_100011610305 [0,1,0,1,0,0|1,0,1]=4 5790 B13R1.704 COC(=O)C(=O)N[C@H]1CCC[C@@H]1O 11a_100000748460_100000024059 [0,1,0,1,0,0|2,0,0]=4 5791 B13R1.704 COC(=O)C(=O)N[C@H]1CCC[C@@H]1O 240690a_100000748460_100000024059 [0,1,0,1,0,0|2,0,0]=4 5792 B13R1.704 COC(=O)C(C)OC1CCCC1C 34a_100011216460_100000211248 [0,1,0,1,0,0|1,0,1]=4 5793 B13R1.704 COC(=O)C(C)OC1CCCC1C 7a_100011216460_100000211248 [0,1,0,1,0,0|1,0,1]=4 5794 B13R1.1878 C=C(COCC1CC1C)C(=O)OC 34a_100000744939_100009813391 [0,1,0,1,0,0|1,0,1]=4 5795 B13R1.1878 COC(=O)C(=O)COCC1CC1C 34a_100000744939_100011610305 [0,1,0,1,0,0|1,0,1]=4 5796 B13R1.1885 CCCCCCN1CC1C(=O)OC 2230a_200009830135_100000210314 [0,1,0,1,0,0|0,0,2]=4 5797 B13R1.2620 CNC(=O)C(=O)C1CCCCCC1 1458a_100011218921_100011217769 [0,1,0,1,0,0|1,0,1]=4 5798 B13R1.2620 CNC(=O)C(=O)N1CCCCCC1 1626a_100000185865_100011218921 [0,1,0,1,0,0|2,0,0]=4 5799 B13R1.2620 CNC(=O)C(=O)N1CCCCCC1 240690a_100000185865_100011218921 [0,1,0,1,0,0|2,0,0]=4 5800 B13R1.2620 CNC(=O)C(=O)N1CCCCCC1 527a_100000185865_100011218921 [0,1,0,1,0,0|2,0,0]=4 5801 B13R1.2620 COC(=O)C(=O)N1CCCCCC1 11a_100000185865_100000024059 [0,1,0,1,0,0|1,0,0]=3 5802 B13R1.2620 COC(=O)C(=O)N1CCCCCC1 1626a_100000185865_100000024059 [0,1,0,1,0,0|1,0,0]=3 5803 B13R1.2620 COC(=O)C(=O)N1CCCCCC1 240690a_100000185865_100000024059 [0,1,0,1,0,0|1,0,0]=3 5804 B13R1.2620 COC(=O)C(=O)N1CCCCCC1 527a_100000185865_100000024059 [0,1,0,1,0,0|1,0,0]=3 5805 B13R1.2620 COC(=O)C(=O)N1CCCOCC1 11a_100000685342_100000024059 [0,1,0,1,0,0|2,0,0]=4 5806 B13R1.2620 COC(=O)C(=O)N1CCCOCC1 1626a_100000685342_100000024059 [0,1,0,1,0,0|2,0,0]=4 5807 B13R1.2620 COC(=O)C(=O)N1CCCOCC1 240690a_100000685342_100000024059 [0,1,0,1,0,0|2,0,0]=4 5808 B13R1.2620 COC(=O)C(=O)N1CCCOCC1 527a_100000685342_100000024059 [0,1,0,1,0,0|2,0,0]=4 5809 B13R1.2620 COC(=O)C(C)N1CCCCCC1 2230a_100000185865_100000211248 [0,1,0,1,0,0|1,0,1]=4 5810 B13R1.2620 COC(=O)C(C)N1CCCCCC1 269982a_100000185865_100000211248 [0,1,0,1,0,0|1,0,1]=4 5811 B13R1.2620 COC(=O)C(C)N1CCCCCC1 34a_100000185865_100000211248 [0,1,0,1,0,0|1,0,1]=4 5812 B13R1.189 CCCCCCc1ccc(s1)SC 62a_100009817186_200000210301 [0,1,0,1,0,0|0,2,0]=4 5813 B13R1.189 CCCCCCc1ccc(s1)SC 62a_200000210301_100009817186 [0,1,0,1,0,0|0,2,0]=4 5814 B13R1.189 CCCCCCc1ccc(s1)S[13CH3] 62a_100009817186_200025704644 [0,1,0,1,0,0|0,2,0]=4 5815 B13R1.189 CCCCCCc1ccc(s1)S[13CH3] 62a_200025704644_100009817186 [0,1,0,1,0,0|0,2,0]=4 5816 B13R1.189 CCCCCSc1cc(on1)C=O 62a_100000210326_100009819588 [0,1,0,1,0,0|2,0,0]=4 5817 B13R1.189 CCCCCSc1cc(on1)C=O 62a_100009819588_100000210326 [0,1,0,1,0,0|2,0,0]=4 5818 B13R1.189 CCCCCSc1cnc(s1)OC 62a_100000210326_100000729428 [0,1,0,1,0,0|1,1,0]=4 5819 B13R1.189 CCCCCSc1cnc(s1)OC 62a_100000729428_100000210326 [0,1,0,1,0,0|1,1,0]=4 5820 B13R1.189 CCCCCSc1coc(c1)C=O 62a_100000210326_100000747035 [0,1,0,1,0,0|1,0,1]=4 5821 B13R1.189 CCCCCSc1coc(c1)C=O 62a_100000747035_100000210326 [0,1,0,1,0,0|1,0,1]=4 5822 B13R1.189 CCCCCSc1csc(n1)OC 62a_100000210326_100000727839 [0,1,0,1,0,0|2,0,0]=4 5823 B13R1.189 CCCCCSc1csc(n1)OC 62a_100000727839_100000210326 [0,1,0,1,0,0|2,0,0]=4 5824 B13R1.371 CCCCCc1ccc(cc1)OC 34a_100000179804_200000210301 [0,1,0,1,0,0|1,0,1]=4 5825 B13R1.371 CCCCCc1ccc(cc1)OC 7a_100000179804_200000210301 [0,1,0,1,0,0|1,0,1]=4 5826 B13R1.371 CCCCCc1ccc(cc1)O[13CH3] 34a_100000179804_200025704644 [0,1,0,1,0,0|1,0,1]=4 5827 B13R1.371 CCCCCc1ccc(cc1)O[13CH3] 7a_100000179804_200025704644 [0,1,0,1,0,0|1,0,1]=4 5828 B13R1.528 CCC(=O)NN=C1CCCCC1C 4a_100000183195_100000210921 [0,1,0,1,0,0|2,0,0]=4 5829 B13R1.528 COC(=O)CCN1CCCCC1C 2230a_100000211376_100000204255 [0,1,0,1,0,0|0,0,2]=4 5830 B13R1.528 COC(=O)CCN1CCCCC1C 269982a_100000211376_100000204255 [0,1,0,1,0,0|0,0,2]=4 5831 B13R1.528 COC(=O)CCN1CCCCC1C 34a_100000211376_100000742370 [0,1,0,1,0,0|0,0,2]=4 5832 B13R1.528 COC(=O)CNC1CCCCC1C 2230a_100000211402_100000747449 [0,1,0,1,0,0|0,0,2]=4 5833 B13R1.528 COC(=O)CNC1CCCCC1C 34a_100000211402_100000747449 [0,1,0,1,0,0|0,0,2]=4 5834 B13R1.528 COC(=O)CN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000747449 [0,1,0,1,0,0|1,0,1]=4 5835 B13R1.528 COC(=O)CN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000747449 [0,1,0,1,0,0|1,0,1]=4 5836 B13R1.528 COC(=O)COC1CCCCC1C 34a_100000211207_100000747449 [0,1,0,1,0,0|0,0,2]=4 5837 B13R1.528 COC(=O)COC1CCCCC1C 7a_100000211207_100000747449 [0,1,0,1,0,0|0,0,2]=4 5838 B13R1.528 COC(=O)COC1CCCCC1Cl 34a_100000038908_100000747449 [0,1,0,1,0,0|1,0,1]=4 5839 B13R1.528 COC(=O)COC1CCCCC1Cl 7a_100000038908_100000747449 [0,1,0,1,0,0|1,0,1]=4 5840 B13R1.528 COC(=O)COC1CCNCC1C 34a_100011998114_100000747449 [0,1,0,1,0,0|1,0,1]=4 5841 B13R1.528 COC(=O)COC1CNCCC1C 34a_100000696640_100000747449 [0,1,0,1,0,0|1,0,1]=4 5842 B13R1.528 COC(=O)CO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000747449 [0,1,0,1,0,0|1,0,1]=4 5843 B13R1.528 COC(=O)CO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000747449 [0,1,0,1,0,0|1,0,1]=4 5844 B13R1.528 COC(=O)CO[C@H]1CCCC[C@H]1N 34a_100015191688_100000747449 [0,1,0,1,0,0|1,0,1]=4 5845 B13R1.528 COC(=O)CSC1CCCCC1F 62a_100000747449_100015423560 [0,1,0,1,0,0|1,0,1]=4 5846 B13R1.528 COC(=O)CSC1CCCCC1F 62a_100015423560_100000747449 [0,1,0,1,0,0|1,0,1]=4 5847 B13R1.528 COC(=O)CSC1CCCCC1O 62a_100000038908_100000747449 [0,1,0,1,0,0|1,0,1]=4 5848 B13R1.528 COC(=O)CSC1CCCCC1O 62a_100000747449_100000038908 [0,1,0,1,0,0|1,0,1]=4 5849 B13R1.717 CC(CN)COCC1=CC(=O)OC1 34a_100000744482_100000716558 [0,1,0,1,0,0|2,0,0]=4 5850 B13R1.717 CC(CO)CNCC1=CC(=O)OC1 34a_100000744482_100000716558 [0,1,0,1,0,0|2,0,0]=4 5851 B13R1.717 CCC(=O)COCC1=CC(=O)OC1 34a_100000725409_100000716558 [0,1,0,1,0,0|1,0,1]=4 5852 B13R1.717 CCC(=O)CSCC1=CC(=O)OC1 62a_100000716558_100000747405 [0,1,0,1,0,0|1,0,1]=4 5853 B13R1.717 CCC(=O)CSCC1=CC(=O)OC1 62a_100000747405_100000716558 [0,1,0,1,0,0|1,0,1]=4 5854 B13R1.717 CCC(C)CSCC1=CC(=O)OC1 62a_100000716558_100000748023 [0,1,0,1,0,0|1,0,0]=3 5855 B13R1.717 CCC(C)CSCC1=CC(=O)OC1 62a_100000748023_100000716558 [0,1,0,1,0,0|1,0,0]=3 5856 B13R1.717 CCC(O)CSCC1=CC(=O)OC1 62a_100000716558_100011218378 [0,1,0,1,0,0|1,0,0]=3 5857 B13R1.717 CCC(O)CSCC1=CC(=O)OC1 62a_100011218378_100000716558 [0,1,0,1,0,0|1,0,0]=3 5858 B13R1.717 CC[C@H](C)CSCC1=CC(=O)OC1 62a_100000716558_100009816398 [0,1,0,1,0,0|1,0,0]=3 5859 B13R1.717 CC[C@H](C)CSCC1=CC(=O)OC1 62a_100009816398_100000716558 [0,1,0,1,0,0|1,0,0]=3 5860 B13R1.717 COC(=O)/C=C/CN1CCC(C1)O 2230a_100011215560_100000742655 [0,1,0,1,0,0|1,0,0]=3 5861 B13R1.717 COC(=O)/C=C/CN1CCC(C1)O 269982a_100011215560_100000742655 [0,1,0,1,0,0|1,0,0]=3 5862 B13R1.717 COC(=O)/C=C/CN1CC[C@@H](C1)F 2230a_100015203821_100000742655 [0,1,0,1,0,0|1,0,0]=3 5863 B13R1.717 COC(=O)/C=C/CN1CC[C@@H](C1)F 269982a_100015203821_100000742655 [0,1,0,1,0,0|1,0,0]=3 5864 B13R1.717 COC(=O)/C=C/CN1CC[C@@H](C1)F 34a_100015203821_100000742655 [0,1,0,1,0,0|1,0,0]=3 5865 B13R1.717 COC(=O)/C=C/CN1CC[C@H](C1)C 2230a_100016987628_100000742655 [0,1,0,1,0,0|1,0,0]=3 5866 B13R1.717 COC(=O)/C=C/CN1CC[C@H](C1)C 269982a_100016987628_100000742655 [0,1,0,1,0,0|1,0,0]=3 5867 B13R1.717 COC(=O)/C=C/CN1CC[C@H](C1)C 34a_100016987628_100000742655 [0,1,0,1,0,0|1,0,0]=3 5868 B13R1.717 COC(C)COCC1=CC(=O)OC1 34a_100000690652_100000716558 [0,1,0,1,0,0|2,0,0]=4 5869 B13R1.717 C[C@@H](CO)CSCC1=CC(=O)OC1 62a_100000059175_100000716558 [0,1,0,1,0,0|2,0,0]=4 5870 B13R1.717 C[C@@H](CO)CSCC1=CC(=O)OC1 62a_100000716558_100000059175 [0,1,0,1,0,0|2,0,0]=4 5871 B13R1.717 NC[C@@H](F)COCC1=CC(=O)OC1 34a_100015665980_100000716558 [0,1,0,1,0,0|2,0,0]=4 5872 B13R1.717 O=C1C=C(CO1)CNC[C@@H](F)CO 34a_100015665980_100000716558 [0,1,0,1,0,0|2,0,0]=4 5873 B13R1.717 O=C1C=C(CO1)COCC(Cl)CCl 34a_100000033668_100000716558 [0,1,0,1,0,0|2,0,0]=4 5874 B13R1.717 O=C1C=C(CO1)CSCC(O)CO 62a_100000716558_100011219619 [0,1,0,1,0,0|2,0,0]=4 5875 B13R1.717 O=C1C=C(CO1)CSCC(O)CO 62a_100011219619_100000716558 [0,1,0,1,0,0|2,0,0]=4 5876 B13R1.717 O=C1C=C(CO1)CSC[C@@H](O)CF 62a_100000716558_100015614560 [0,1,0,1,0,0|2,0,0]=4 5877 B13R1.717 O=C1C=C(CO1)CSC[C@@H](O)CF 62a_100015614560_100000716558 [0,1,0,1,0,0|2,0,0]=4 5878 B13R1.717 O=C1C=C(CO1)CSC[C@@H](O)CO 62a_100000716558_100009815848 [0,1,0,1,0,0|2,0,0]=4 5879 B13R1.717 O=C1C=C(CO1)CSC[C@@H](O)CO 62a_100009815848_100000716558 [0,1,0,1,0,0|2,0,0]=4 5880 B13R1.718 CCC(=O)C=CCN1CCCCC1 1458a_100015232380_100000210202 [0,1,0,1,0,0|1,0,0]=3 5881 B13R1.718 CCC(=O)C=CCN1CCOCC1 1458a_100134615786_100000210202 [0,1,0,1,0,0|2,0,0]=4 5882 B13R1.718 CCC(=O)NN=CC1CCCCC1 4a_100000183195_100000211278 [0,1,0,1,0,0|2,0,0]=4 5883 B13R1.718 CNC(=O)C=CCN1CCCCC1 11a_106832991635_100015232380 [0,1,0,1,0,0|1,0,0]=3 5884 B13R1.718 CNC(=O)C=CCN1CCCCC1 240690a_100102657272_100015232380 [0,1,0,1,0,0|1,0,0]=3 5885 B13R1.718 CNC(=O)C=CCN1CCOCC1 11a_106832991635_100134615786 [0,1,0,1,0,0|2,0,0]=4 5886 B13R1.718 CNC(=O)C=CCN1CCOCC1 240690a_100102657272_100134615786 [0,1,0,1,0,0|2,0,0]=4 5887 B13R1.718 COC(=O)/C=C/CN1CC=CCC1 2230a_100000698166_100000742655 [0,1,0,1,0,0|0,0,2]=4 5888 B13R1.718 COC(=O)/C=C/CN1CC=CCC1 269982a_100000698166_100000742655 [0,1,0,1,0,0|0,0,2]=4 5889 B13R1.718 COC(=O)/C=C/CN1CC=CCC1 34a_100000698166_100000742655 [0,1,0,1,0,0|0,0,2]=4 5890 B13R1.718 COC(=O)/C=C/CN1CCCOC1 2230a_100000131196_100000742655 [0,1,0,1,0,0|1,0,0]=3 5891 B13R1.718 COC(=O)/C=C/CN1CCCOC1 269982a_100000131196_100000742655 [0,1,0,1,0,0|1,0,0]=3 5892 B13R1.718 COC(=O)/C=C/CN1CCCOC1 34a_100000131196_100000742655 [0,1,0,1,0,0|1,0,0]=3 5893 B13R1.718 COC(=O)/C=C/CN1CCOCC1 2230a_100015191051_100000742655 [0,1,0,1,0,0|1,0,0]=3 5894 B13R1.718 COC(=O)/C=C/CN1CCOCC1 269982a_100015191051_100000742655 [0,1,0,1,0,0|1,0,0]=3 5895 B13R1.718 COC(=O)/C=C/CN1CCOCC1 34a_100015191051_100000742655 [0,1,0,1,0,0|1,0,0]=3 5896 B13R1.718 COC(=O)/C=C/CN1CCSCC1 2230a_100000737611_100000742655 [0,1,0,1,0,0|1,0,0]=3 5897 B13R1.718 COC(=O)/C=C/CN1CCSCC1 269982a_100000737611_100000742655 [0,1,0,1,0,0|1,0,0]=3 5898 B13R1.718 COC(=O)C=NNC1CCCCC1 4a_100000709804_200011823558 [0,1,0,1,0,0|1,0,0]=3 5899 B13R1.718 COC(=O)C=NNC1CCOCC1 4a_100000687383_200011823558 [0,1,0,1,0,0|2,0,0]=4 5900 B13R1.718 COC(=O)CCNC1CCCCC1 2230a_100000182618_100000204255 [0,1,0,1,0,0|0,0,2]=4 5901 B13R1.718 COC(=O)CCNC1CCCCC1 34a_100000182618_100000742370 [0,1,0,1,0,0|0,0,2]=4 5902 B13R1.718 COC(=O)CCOC1CCCCC1 34a_100000210231_100000742370 [0,1,0,1,0,0|0,0,2]=4 5903 B13R1.718 COC(=O)CCOC1CCCCC1 7a_100000210231_100000204255 [0,1,0,1,0,0|0,0,2]=4 5904 B13R1.718 COC(=O)CCSC1CCCCC1 62a_100000204255_100000210327 [0,1,0,1,0,0|0,0,2]=4 5905 B13R1.718 COC(=O)CCSC1CCCCC1 62a_100000210327_100000204255 [0,1,0,1,0,0|0,0,2]=4 5906 B13R1.718 COC(=O)CNCC1CCCCC1 2230a_100000210473_100000747449 [0,1,0,1,0,0|0,0,2]=4 5907 B13R1.718 COC(=O)CNCC1CCCCC1 34a_100000210473_100000747449 [0,1,0,1,0,0|0,0,2]=4 5908 B13R1.718 COC(=O)CNCC1CCCCO1 2230a_100000174945_100000747449 [0,1,0,1,0,0|1,0,1]=4 5909 B13R1.718 COC(=O)CNCC1CCCCO1 34a_100000174945_100000747449 [0,1,0,1,0,0|1,0,1]=4 5910 B13R1.718 COC(=O)CNCC1CCCOC1 2230a_100000720124_100000747449 [0,1,0,1,0,0|1,0,1]=4 5911 B13R1.718 COC(=O)CNCC1CCCOC1 34a_100000720124_100000747449 [0,1,0,1,0,0|1,0,1]=4 5912 B13R1.718 COC(=O)CNCC1CCOCC1 2230a_100000746373_100000747449 [0,1,0,1,0,0|1,0,1]=4 5913 B13R1.718 COC(=O)CNCC1CCOCC1 34a_100000746373_100000747449 [0,1,0,1,0,0|1,0,1]=4 5914 B13R1.718 COC(=O)CNCC1CCSCC1 2230a_100015188806_100000747449 [0,1,0,1,0,0|1,0,1]=4 5915 B13R1.718 COC(=O)CNCC1CCSCC1 34a_100015188806_100000747449 [0,1,0,1,0,0|1,0,1]=4 5916 B13R1.718 COC(=O)COCC1CCCCC1 34a_100000212181_100000747449 [0,1,0,1,0,0|0,0,2]=4 5917 B13R1.718 COC(=O)COCC1CCCCC1 7a_100000212181_100000747449 [0,1,0,1,0,0|0,0,2]=4 5918 B13R1.718 COC(=O)COCC1CCCCN1 34a_100000210821_100000747449 [0,1,0,1,0,0|1,0,1]=4 5919 B13R1.718 COC(=O)COCC1CCCCO1 34a_100000211370_100000747449 [0,1,0,1,0,0|1,0,1]=4 5920 B13R1.718 COC(=O)COCC1CCCCO1 7a_100000211370_100000747449 [0,1,0,1,0,0|1,0,1]=4 5921 B13R1.718 COC(=O)COCC1CCCNC1 34a_100000211344_100000747449 [0,1,0,1,0,0|1,0,1]=4 5922 B13R1.718 COC(=O)COCC1CCCOC1 34a_100000741520_100000747449 [0,1,0,1,0,0|1,0,1]=4 5923 B13R1.718 COC(=O)COCC1CCNCC1 34a_100000738675_100000747449 [0,1,0,1,0,0|1,0,1]=4 5924 B13R1.718 COC(=O)COCC1CCOCC1 34a_100000749013_100000747449 [0,1,0,1,0,0|1,0,1]=4 5925 B13R1.718 COC(=O)COCC1CCSCC1 34a_100000070558_100000747449 [0,1,0,1,0,0|1,0,1]=4 5926 B13R1.718 COC(=O)COCC1CCSCC1 7a_100000070558_100000747449 [0,1,0,1,0,0|1,0,1]=4 5927 B13R1.718 COC(=O)CSCC1CCCCC1 62a_100000211423_100000747449 [0,1,0,1,0,0|0,0,2]=4 5928 B13R1.718 COC(=O)CSCC1CCCCC1 62a_100000747449_100000211423 [0,1,0,1,0,0|0,0,2]=4 5929 B13R1.718 COC(=O)CSCC1CCCCO1 62a_100000211543_100000747449 [0,1,0,1,0,0|1,0,1]=4 5930 B13R1.718 COC(=O)CSCC1CCCCO1 62a_100000747449_100000211543 [0,1,0,1,0,0|1,0,1]=4 5931 B13R1.718 COC(=O)CSCC1CCCOC1 62a_100000741521_100000747449 [0,1,0,1,0,0|1,0,1]=4 5932 B13R1.718 COC(=O)CSCC1CCCOC1 62a_100000747449_100000741521 [0,1,0,1,0,0|1,0,1]=4 5933 B13R1.718 COC(=O)CSCC1CCOCC1 62a_100000747449_100000749018 [0,1,0,1,0,0|1,0,1]=4 5934 B13R1.718 COC(=O)CSCC1CCOCC1 62a_100000754603_100000747449 [0,1,0,1,0,0|1,0,1]=4 5935 B13R1.718 COC(=O)OCSC1CCCCC1 62a_100000210327_100000139417 [0,1,0,1,0,0|1,0,1]=4 5936 B13R1.718 O=C(C=CCN1CCCCC1)CF 1458a_100015232380_100015361967 [0,1,0,1,0,0|2,0,0]=4 5937 B13R1.1737 COC(=O)/C=C/CN(C)C1CCC1 2230a_100000758072_100000742655 [0,1,0,1,0,0|1,0,0]=3 5938 B13R1.1737 COC(=O)/C=C/CN(C)C1CCC1 269982a_100000758072_100000742655 [0,1,0,1,0,0|1,0,0]=3 5939 B13R1.1737 COC(=O)/C=C/CN(C)C1CCC1 34a_100000758072_100000742655 [0,1,0,1,0,0|1,0,0]=3 5940 B13R1.1737 COC(=O)/C=C/CN(C)C1COC1 2230a_100102693430_100000742655 [0,1,0,1,0,0|2,0,0]=4 5941 B13R1.1737 COC(=O)/C=C/CN(C)C1COC1 269982a_100102693430_100000742655 [0,1,0,1,0,0|2,0,0]=4 5942 B13R1.1739 COC(=O)/C=C/CN(C)CC1CC1 2230a_100000741881_100000742655 [0,1,0,1,0,0|1,0,0]=3 5943 B13R1.1739 COC(=O)/C=C/CN(C)CC1CC1 269982a_100000741881_100000742655 [0,1,0,1,0,0|1,0,0]=3 5944 B13R1.1868 COC(=O)CN1CCCCC(C1)O 2230a_100025706797_100000747449 [0,1,0,1,0,0|1,0,1]=4 5945 B13R1.1868 COC(=O)CN1CCCCC(C1)O 269982a_100025706797_100000747449 [0,1,0,1,0,0|1,0,1]=4 5946 B13R1.2062 COC(=O)CNCC1(CCCC1)O 2230a_100000737848_100000747449 [0,1,0,1,0,0|1,0,1]=4 5947 B13R1.2062 COC(=O)COCC1(CCCC1)N 34a_100000749328_100000747449 [0,1,0,1,0,0|1,0,1]=4 5948 B13R1.2329 CCC1CN(C1)C/C=C/C(=O)OC 2230a_100015205115_100000742655 [0,1,0,1,0,0|1,0,0]=3 5949 B13R1.2329 CCC1CN(C1)C/C=C/C(=O)OC 269982a_100015205115_100000742655 [0,1,0,1,0,0|1,0,0]=3 5950 B13R1.2329 COC(=O)/C=C/CN1CC(C1)CF 269982a_100010363649_100000742655 [0,1,0,1,0,0|2,0,0]=4 5951 B13R1.2329 COC(=O)/C=C/CN1CC(C1)CF 34a_100010363649_100000742655 [0,1,0,1,0,0|2,0,0]=4 5952 B13R1.2329 COC(=O)/C=C/CN1CC(C1)CO 269982a_100016987283_100000742655 [0,1,0,1,0,0|2,0,0]=4 5953 B13R1.2329 COC(=O)/C=C/CN1CC(C1)CO 34a_100016987283_100000742655 [0,1,0,1,0,0|2,0,0]=4 5954 B13R1.2329 COC(=O)/C=C/CN1CC(C1)OC 269982a_100000755009_100000742655 [0,1,0,1,0,0|2,0,0]=4 5955 B13R1.2329 COC(=O)/C=C/CN1CC(C1)SC 269982a_100016990038_100000742655 [0,1,0,1,0,0|2,0,0]=4 5956 B13R1.11 CCC(=CC(=O)C1CCCCC1)C 1458a_100020758463_100000210327 [0,1,0,1,0,0|2,0,0]=4 5957 B13R1.11 CCC(=O)CC(=O)C1CCCCC1 1458a_100000210414_100000241979 [0,1,0,1,0,0|1,0,1]=4 5958 B13R1.11 CCC(=O)CC(=O)C1CCCCC1 1458a_100000210647_100000747405 [0,1,0,1,0,0|1,0,1]=4 5959 B13R1.11 CNC(=O)CC(=O)C1CCCCC1 1458a_100000210647_100000183359 [0,1,0,1,0,0|1,0,1]=4 5960 B13R1.11 COC(=O)CC(=O)C1CCCCC1 1458a_100000210647_100000747449 [0,1,0,1,0,0|0,0,1]=3 5961 B13R1.11 COC(=O)CC(=O)C1CCCCC1 1458a_100000211351_100000210327 [0,1,0,1,0,0|0,0,1]=3 5962 B13R1.11 COC(=O)CC(=O)C1CCCCO1 1458a_100000748299_100000747449 [0,1,0,1,0,0|1,0,1]=4 5963 B13R1.11 COC(=O)CC(=O)C1CCCOC1 1458a_100000211351_100000693364 [0,1,0,1,0,0|1,0,1]=4 5964 B13R1.11 COC(=O)CC(=O)C1CCCOC1 1458a_100000741522_100000747449 [0,1,0,1,0,0|1,0,1]=4 5965 B13R1.11 COC(=O)CC(=O)C1CCOCC1 1458a_100000195482_100000747449 [0,1,0,1,0,0|1,0,1]=4 5966 B13R1.11 COC(=O)CC(=O)C1CCOCC1 1458a_100000211351_100011324220 [0,1,0,1,0,0|1,0,1]=4 5967 B13R1.11 COC(=O)CC(=O)C1CCSCC1 1458a_100000755232_100000747449 [0,1,0,1,0,0|1,0,1]=4 5968 B13R1.11 COC(=O)CN(C)C1CCCCC1 2230a_100000207522_100000747449 [0,1,0,1,0,0|1,0,1]=4 5969 B13R1.11 COC(=O)CN(C)C1CCCCC1 269982a_100000207522_100000747449 [0,1,0,1,0,0|1,0,1]=4 5970 B13R1.11 COC(=O)CN(C)C1CCCCC1 270004a_100000198492_100000210434 [0,1,0,1,0,0|1,0,1]=4 5971 B13R1.11 COC(=O)CN(C)C1CCCCC1 34a_100000207522_100000747449 [0,1,0,1,0,0|1,0,1]=4 5972 B13R1.439 CCC(=O)CC(=O)C1CCCC1C 1458a_100000690547_100000747405 [0,1,0,1,0,0|1,0,1]=4 5973 B13R1.439 CNC(=O)CC(=O)C1CCCC1C 1458a_100000690547_100000183359 [0,1,0,1,0,0|1,0,1]=4 5974 B13R1.439 COC(=O)CC(=O)C1CCCC1C 1458a_100000690547_100000747449 [0,1,0,1,0,0|0,0,1]=3 5975 B13R1.439 COC(=O)CC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000211351 [0,1,0,1,0,0|1,0,1]=4 5976 B13R1.439 COC(=O)CC(=O)N1CCC[C@H]1C 240690a_100015189458_100000211351 [0,1,0,1,0,0|1,0,1]=4 5977 B13R1.439 COC(=O)CC(=O)[C@@H]1CCCN1C 1458a_100009816429_100000747449 [0,1,0,1,0,0|1,0,1]=4 5978 B13R1.441 COC(=O)CC(=O)CSC1CCC1 62a_100000210525_100000749161 [0,1,0,1,0,0|1,0,1]=4 5979 B13R1.441 COC(=O)CC(=O)NCC1CCC1 240690a_100000738700_100000211351 [0,1,0,1,0,0|1,0,1]=4 5980 B13R1.442 COC(=O)CC(=O)CCCC1CO1 1458a_100000211351_100000733510 [0,1,0,1,0,0|1,0,1]=4 5981 B13R1.442 COC(=O)CC(=O)CSCC1CC1 1458a_200011316215_100000747449 [0,1,0,1,0,0|1,0,1]=4 5982 B13R1.442 COC(=O)CC(=O)CSCC1CC1 62a_100000210525_100000742324 [0,1,0,1,0,0|1,0,1]=4 5983 B13R1.442 COC(=O)CC(=O)CSCC1CC1 62a_100000756562_100000210525 [0,1,0,1,0,0|1,0,1]=4 5984 B13R1.442 COC(=O)CC(=O)NCCC1CC1 240690a_100000764129_100000211351 [0,1,0,1,0,0|1,0,1]=4 5985 B13R1.442 COC(=O)NC(=O)CSCC1CC1 62a_100000756562_100000010850 [0,1,0,1,0,0|2,0,0]=4 5986 B13R1.545 CCC(=CC(=O)CC1CCCC1)C 1458a_100020758463_100000740388 [0,1,0,1,0,0|2,0,0]=4 5987 B13R1.545 CCC(=O)CC(=O)CC1CCCC1 1458a_100000210891_100000747405 [0,1,0,1,0,0|1,0,1]=4 5988 B13R1.545 CNC(=O)CC(=O)CC1CCCC1 1458a_100000210891_100000183359 [0,1,0,1,0,0|1,0,1]=4 5989 B13R1.545 COC(=O)CC(=O)CC1CCCC1 1458a_100000210891_100000747449 [0,1,0,1,0,0|0,0,1]=3 5990 B13R1.545 COC(=O)CC(=O)CC1CCCC1 1458a_100000211351_100000740388 [0,1,0,1,0,0|0,0,1]=3 5991 B13R1.545 COC(=O)CC(=O)CC1CCCO1 1458a_100000211351_100000203698 [0,1,0,1,0,0|1,0,1]=4 5992 B13R1.545 COC(=O)CC(=O)CC1CCOC1 1458a_100000211351_100000702531 [0,1,0,1,0,0|1,0,1]=4 5993 B13R1.545 COC(=O)CC(=O)CC1CCOC1 1458a_100011218419_100000747449 [0,1,0,1,0,0|1,0,1]=4 5994 B13R1.545 COC(=O)CC(=O)CN1CCCC1 1458a_100000740243_100000747449 [0,1,0,1,0,0|1,0,1]=4 5995 B13R1.545 COC(=O)CC(=O)NC1CCCC1 240690a_100000211070_100000211351 [0,1,0,1,0,0|1,0,1]=4 5996 B13R1.545 COC(=O)CN(C)CC1CCCC1 2230a_100000198492_100000740388 [0,1,0,1,0,0|1,0,1]=4 5997 B13R1.545 COC(=O)NC(=O)CN1CCCC1 269982a_100000188435_100000010850 [0,1,0,1,0,0|2,0,0]=4 5998 B13R1.1788 COC(=O)NC(=O)CN1CCC1C 269982a_100000755817_100000010850 [0,1,0,1,0,0|2,0,0]=4 5999 B13R1.1870 COC(=O)CN1CCCCCCC1 2230a_100000211400_100000747449 [0,1,0,1,0,0|0,0,2]=4 6000 B13R1.1870 COC(=O)CN1CCCCCCC1 269982a_100000211400_100000747449 [0,1,0,1,0,0|0,0,2]=4 6001 B13R1.1870 COC(=O)CN1CCCCCCC1 34a_100000211400_100000747449 [0,1,0,1,0,0|0,0,2]=4 6002 B13R1.2916 CCCCCCC(=O)C=C1CCC1 1458a_100000686340_100000210757 [0,1,0,1,0,0|2,0,0]=4 6003 B13R1.2918 CCCCCCC(=O)C1CCC1=O 1458a_100102632555_100009892977 [0,1,0,1,0,0|1,0,1]=4 6004 B13R1.15 COC(=O)CNC1CCCC(C1)C 2230a_100011194320_100000747449 [0,1,0,1,0,0|1,0,1]=4 6005 B13R1.15 COC(=O)CNC1CCCC(C1)C 34a_100011194320_100000747449 [0,1,0,1,0,0|1,0,1]=4 6006 B13R1.15 COC(=O)CNC1CCCC(C1)O 2230a_100015190357_100000747449 [0,1,0,1,0,0|1,0,1]=4 6007 B13R1.15 COC(=O)COC1CCCC(C1)C 34a_100000211399_100000747449 [0,1,0,1,0,0|1,0,1]=4 6008 B13R1.162 CNC(=O)C=CC(=O)C1CCCC1 1458a_100016259477_100000179811 [0,1,0,1,0,0|1,0,1]=4 6009 B13R1.162 COC(=O)CNC(C)C1CCCC1 2230a_100015185923_100000747449 [0,1,0,1,0,0|1,0,1]=4 6010 B13R1.162 COC(=O)CNC(C)C1CCCC1 34a_100015185923_100000747449 [0,1,0,1,0,0|1,0,1]=4 6011 B13R1.162 COC(=O)COC(C)C1CCCC1 34a_100011216366_100000747449 [0,1,0,1,0,0|1,0,1]=4 6012 B13R1.162 COC(=O)COC(C)C1CCCC1 7a_100011216366_100000747449 [0,1,0,1,0,0|1,0,1]=4 6013 B13R1.1711 CCC(=O)NN=C1CCCCCC1 4a_100000183195_100000210131 [0,1,0,1,0,0|2,0,0]=4 6014 B13R1.1711 COC(=O)CCN1CCCCCC1 2230a_100000185865_100000204255 [0,1,0,1,0,0|0,0,2]=4 6015 B13R1.1711 COC(=O)CCN1CCCCCC1 269982a_100000185865_100000204255 [0,1,0,1,0,0|0,0,2]=4 6016 B13R1.1711 COC(=O)CCN1CCCCCC1 34a_100000185865_100000742370 [0,1,0,1,0,0|0,0,2]=4 6017 B13R1.1711 COC(=O)CNC1CCCCCC1 2230a_100000210984_100000747449 [0,1,0,1,0,0|0,0,2]=4 6018 B13R1.1711 COC(=O)CNC1CCCCCC1 34a_100000210984_100000747449 [0,1,0,1,0,0|0,0,2]=4 6019 B13R1.1711 COC(=O)COC1CCCCCC1 34a_100000210887_100000747449 [0,1,0,1,0,0|0,0,2]=4 6020 B13R1.1711 COC(=O)COC1CCCCCC1 7a_100000210887_100000747449 [0,1,0,1,0,0|0,0,2]=4 6021 B13R1.1711 COC(=O)CSC1CCCCCC1 62a_100000747449_100011217769 [0,1,0,1,0,0|0,0,2]=4 6022 B13R1.1711 COC(=O)CSC1CCCCCC1 62a_100011217769_100000747449 [0,1,0,1,0,0|0,0,2]=4 6023 B13R1.2045 COC(=O)CNC1(CCCCC1)C 2230a_100000741114_100000747449 [0,1,0,1,0,0|1,0,1]=4 6024 B13R1.2045 COC(=O)CNC1(CCCCC1)C 34a_100000741114_100000747449 [0,1,0,1,0,0|1,0,1]=4 6025 B13R1.2045 COC(=O)COC1(CCCCC1)C 34a_100011215885_100000747449 [0,1,0,1,0,0|1,0,1]=4 6026 B13R1.2045 COC(=O)COC1(CCCCC1)C 7a_100011215885_100000747449 [0,1,0,1,0,0|1,0,1]=4 6027 B13R1.3545 CNC(=O)C=CC(=O)CC1CCC1 1458a_100016259477_100000763275 [0,1,0,1,0,0|1,0,1]=4 6028 B13R1.3545 COC(=O)C=CC(=O)NC1CCC1 1626a_100000749019_100016283253 [0,1,0,1,0,0|1,0,1]=4 6029 B13R1.3546 CNC(=O)C=CC(=O)CCC1CC1 1458a_100016259477_100000694398 [0,1,0,1,0,0|1,0,1]=4 6030 B13R1.3546 COC(=O)C=CC(=O)NCC1CC1 1626a_100000735609_100016283253 [0,1,0,1,0,0|1,0,1]=4 6031 B13R1.4928 COC(=O)CN1C(CCCC1C)C 2230a_100000210447_100000747449 [0,1,0,1,0,0|1,0,1]=4 6032 B13R1.4928 COC(=O)CN1C(CCCC1C)C 269982a_100000210447_100000747449 [0,1,0,1,0,0|1,0,1]=4 6033 B13R1.4928 COC(=O)CN1C(CCCC1C)C 34a_100000210447_100000747449 [0,1,0,1,0,0|1,0,1]=4 6034 B13R1.14 COC(=O)CN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100000747449 [0,1,0,1,0,0|1,0,1]=4 6035 B13R1.14 COC(=O)CN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100000747449 [0,1,0,1,0,0|1,0,1]=4 6036 B13R1.14 COC(=O)COC1CCC(CC1)C 34a_100000210714_100000747449 [0,1,0,1,0,0|1,0,1]=4 6037 B13R1.14 COC(=O)COC1CCC(CC1)C 7a_100000210714_100000747449 [0,1,0,1,0,0|1,0,1]=4 6038 B13R1.14 COC(=O)CO[C@H]1CC[C@H](CC1)N 34a_100020628982_100000747449 [0,1,0,1,0,0|1,0,1]=4 6039 B13R1.14 COC(=O)CSC1CCC(CC1)C 62a_100000747449_200011216234 [0,1,0,1,0,0|1,0,1]=4 6040 B13R1.538 COC(=O)/C=C/COCC1CC1C 34a_100000744939_100000742655 [0,1,0,1,0,0|0,0,0]=2 6041 B13R1.538 COC(=O)/C=C/COCC1CC1C 7a_100000744939_100000742655 [0,1,0,1,0,0|0,0,0]=2 6042 B13R1.538 COC(=O)CCCOCC1CC1C 34a_100000744939_100000742333 [0,1,0,1,0,0|0,0,2]=4 6043 B13R1.538 COC(=O)CCCOCC1CC1C 7a_100000744939_100011218270 [0,1,0,1,0,0|0,0,2]=4 6044 B13R1.539 COC(=O)/C=C/CNCC1CCC1 2230a_100000738700_100000742655 [0,1,0,1,0,0|0,0,0]=2 6045 B13R1.539 COC(=O)/C=C/CNCC1CCC1 34a_100000738700_100000742655 [0,1,0,1,0,0|0,0,0]=2 6046 B13R1.539 COC(=O)/C=C/CNCC1COC1 2230a_100015281925_100000742655 [0,1,0,1,0,0|1,0,0]=3 6047 B13R1.539 COC(=O)/C=C/CNCC1COC1 34a_100015281925_100000742655 [0,1,0,1,0,0|1,0,0]=3 6048 B13R1.539 COC(=O)/C=C/CNC[C@@H]1CCO1 2230a_100020831831_100000742655 [0,1,0,1,0,0|1,0,0]=3 6049 B13R1.539 COC(=O)/C=C/CNC[C@@H]1CCO1 34a_100020831831_100000742655 [0,1,0,1,0,0|1,0,0]=3 6050 B13R1.539 COC(=O)/C=C/COCC1CCC1 34a_100000760304_100000742655 [0,1,0,1,0,0|0,0,0]=2 6051 B13R1.539 COC(=O)/C=C/COCC1CCO1 34a_100000039022_100000742655 [0,1,0,1,0,0|1,0,0]=3 6052 B13R1.539 COC(=O)/C=C/COCC1CNC1 34a_100016987283_100000742655 [0,1,0,1,0,0|1,0,0]=3 6053 B13R1.539 COC(=O)/C=C/COCC1COC1 34a_100000060846_100000742655 [0,1,0,1,0,0|1,0,0]=3 6054 B13R1.539 COC(=O)/C=C/CSCC1CCC1 62a_100000742655_100000763275 [0,1,0,1,0,0|0,0,0]=2 6055 B13R1.539 COC(=O)/C=C/CSCC1CCC1 62a_100000763275_100000742655 [0,1,0,1,0,0|0,0,0]=2 6056 B13R1.539 COC(=O)/C=C/CSCC1CCO1 62a_100000103362_100000742655 [0,1,0,1,0,0|1,0,0]=3 6057 B13R1.539 COC(=O)/C=C/CSCC1CCO1 62a_100000742655_100000103362 [0,1,0,1,0,0|1,0,0]=3 6058 B13R1.539 COC(=O)/C=C/CSCC1COC1 62a_100000742655_100010264016 [0,1,0,1,0,0|1,0,0]=3 6059 B13R1.539 COC(=O)/C=C/CSCC1COC1 62a_100010264016_100000742655 [0,1,0,1,0,0|1,0,0]=3 6060 B13R1.539 COC(=O)C=CC=NNC1CCC1 4a_100000736358_100016254430 [0,1,0,1,0,0|1,0,1]=4 6061 B13R1.539 COC(=O)CC=NNCC1CCC1 4a_200020586977_200011552997 [0,1,0,1,0,0|1,0,1]=4 6062 B13R1.539 COC(=O)CCCCCN1CCC1 269982a_100000754969_100009816466 [0,1,0,1,0,0|0,0,2]=4 6063 B13R1.539 COC(=O)CCCCNC1CCC1 2230a_100000749019_100000204269 [0,1,0,1,0,0|0,0,2]=4 6064 B13R1.539 COC(=O)CCCCNC1CCC1 34a_100000749019_100000204269 [0,1,0,1,0,0|0,0,2]=4 6065 B13R1.539 COC(=O)CCCCOC1CCC1 34a_100000059025_100000749161 [0,1,0,1,0,0|0,0,2]=4 6066 B13R1.539 COC(=O)CCCCOC1CCC1 34a_100000748187_100000204269 [0,1,0,1,0,0|0,0,2]=4 6067 B13R1.539 COC(=O)CCCCSC1CCC1 62a_100000204269_100000749161 [0,1,0,1,0,0|0,0,2]=4 6068 B13R1.539 COC(=O)CCCNCC1CCC1 2230a_100000738700_100011218270 [0,1,0,1,0,0|0,0,2]=4 6069 B13R1.539 COC(=O)CCCNCC1CCC1 34a_100000738700_100000742333 [0,1,0,1,0,0|0,0,2]=4 6070 B13R1.539 COC(=O)CCCOCC1CCC1 34a_100000760304_100000742333 [0,1,0,1,0,0|0,0,2]=4 6071 B13R1.539 COC(=O)CCCSCC1CCC1 62a_100000763275_100011218270 [0,1,0,1,0,0|0,0,2]=4 6072 B13R1.539 COC(=O)CCCSCC1CCC1 62a_100011218270_100000763275 [0,1,0,1,0,0|0,0,2]=4 6073 B13R1.539 COC(=O)COCCNC1CCC1 2230a_100000749019_100000090808 [0,1,0,1,0,0|1,0,1]=4 6074 B13R1.539 COC(=O)COCCNC1CCC1 34a_100000749019_100000090808 [0,1,0,1,0,0|1,0,1]=4 6075 B13R1.539 COC(=O)COCCOC1CCC1 34a_100000748187_100000090808 [0,1,0,1,0,0|1,0,1]=4 6076 B13R1.539 COC(=O)COCCSC1CCC1 62a_100000090808_100000749161 [0,1,0,1,0,0|1,0,1]=4 6077 B13R1.539 COC(=O)NCCOCC1CCC1 34a_100000757965_100000763275 [0,1,0,1,0,0|1,0,1]=4 6078 B13R1.539 COC(=O)OCCOCC1CCC1 34a_100010262106_100000763275 [0,1,0,1,0,0|1,0,1]=4 6079 B13R1.595 COC(=O)/C=C/CSC1CCC1=O 62a_100000742655_100009892977 [0,1,0,1,0,0|1,0,1]=4 6080 B13R1.595 COC(=O)/C=C/CSC1CCC1=O 62a_100009892977_100000742655 [0,1,0,1,0,0|1,0,1]=4 6081 B13R1.595 COC(=O)CCCCN1CCC1C 269982a_100000755817_100000204269 [0,1,0,1,0,0|0,0,2]=4 6082 B13R1.595 COC(=O)CCCCN1CCC1C 34a_100000755817_100000204269 [0,1,0,1,0,0|0,0,2]=4 6083 B13R1.595 COC(=O)COCCN1CCC1C 34a_100000755817_100000090808 [0,1,0,1,0,0|1,0,1]=4 6084 B13R1.1741 COC(=O)/C=C/CNCC1(CC1)C 2230a_100000766693_100000742655 [0,1,0,1,0,0|1,0,0]=3 6085 B13R1.1741 COC(=O)/C=C/CNCC1(CC1)O 2230a_100011936951_100000742655 [0,1,0,1,0,0|1,0,0]=3 6086 B13R1.1741 COC(=O)/C=C/COCC1(CC1)C 7a_100000698024_100000742655 [0,1,0,1,0,0|1,0,0]=3 6087 B13R1.1741 COC(=O)/C=C/COCC1(CC1)F 34a_200000703853_100000742655 [0,1,0,1,0,0|1,0,0]=3 6088 B13R1.1741 COC(=O)/C=C/COCC1(CC1)F 7a_200000703853_100000742655 [0,1,0,1,0,0|1,0,0]=3 6089 B13R1.1741 COC(=O)/C=C/CSCC1(CO1)C 62a_100000742655_100000760498 [0,1,0,1,0,0|2,0,0]=4 6090 B13R1.1741 COC(=O)/C=C/CSCC1(CO1)C 62a_100000760498_100000742655 [0,1,0,1,0,0|2,0,0]=4 6091 B13R1.1869 COC(=O)CN1CCCC(CC1)C 2230a_100025706717_100000747449 [0,1,0,1,0,0|1,0,1]=4 6092 B13R1.1869 COC(=O)CN1CCCC(CC1)C 269982a_100025706717_100000747449 [0,1,0,1,0,0|1,0,1]=4 6093 B13R1.1869 COC(=O)CN1CCCC(CC1)C 34a_100025706717_100000747449 [0,1,0,1,0,0|1,0,1]=4 6094 B13R1.1869 COC(=O)CN1CCCC(CC1)O 2230a_100015186869_100000747449 [0,1,0,1,0,0|1,0,1]=4 6095 B13R1.1869 COC(=O)CN1CCCC(CC1)O 269982a_100015186869_100000747449 [0,1,0,1,0,0|1,0,1]=4 6096 B13R1.2063 COC(=O)/C=C/CN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000742655 [0,1,0,1,0,0|1,0,0]=3 6097 B13R1.2063 COC(=O)/C=C/CN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000742655 [0,1,0,1,0,0|1,0,0]=3 6098 B13R1.128 C=C(C)CCOCC1=CC(=O)OC1 34a_100000764851_100000716558 [0,1,0,1,0,0|1,0,1]=4 6099 B13R1.128 C=C(C)CCSCC1=CC(=O)OC1 62a_100000716558_100000730704 [0,1,0,1,0,0|1,0,1]=4 6100 B13R1.128 C=C(C)CCSCC1=CC(=O)OC1 62a_100000730704_100000716558 [0,1,0,1,0,0|1,0,1]=4 6101 B13R1.128 CC(=O)CCOCC1=CC(=O)OC1 34a_100000759926_100000716558 [0,1,0,1,0,0|1,0,1]=4 6102 B13R1.128 CC(=O)CCSCC1=CC(=O)OC1 62a_100000053229_100000716558 [0,1,0,1,0,0|1,0,1]=4 6103 B13R1.128 CC(=O)CCSCC1=CC(=O)OC1 62a_100000716558_100000053229 [0,1,0,1,0,0|1,0,1]=4 6104 B13R1.128 CC(Br)CCOCC1=CC(=O)OC1 34a_100009893172_100000716558 [0,1,0,1,0,0|1,0,0]=3 6105 B13R1.128 CC(C)CCOCC1=CC(=O)OC1 34a_100000210254_100000716558 [0,1,0,1,0,0|1,0,0]=3 6106 B13R1.128 CC(C)CCSCC1=CC(=O)OC1 62a_100000210312_100000716558 [0,1,0,1,0,0|1,0,0]=3 6107 B13R1.128 CC(C)CCSCC1=CC(=O)OC1 62a_100000716558_100000210312 [0,1,0,1,0,0|1,0,0]=3 6108 B13R1.128 CC(C)OCSCC1=CC(=O)OC1 62a_100000709892_100000716558 [0,1,0,1,0,0|2,0,0]=4 6109 B13R1.128 CC(C)OCSCC1=CC(=O)OC1 62a_100000716558_100000709892 [0,1,0,1,0,0|2,0,0]=4 6110 B13R1.128 CC(O)CCSCC1=CC(=O)OC1 62a_100000716558_100012276601 [0,1,0,1,0,0|1,0,0]=3 6111 B13R1.128 CC(O)CCSCC1=CC(=O)OC1 62a_100012276601_100000716558 [0,1,0,1,0,0|1,0,0]=3 6112 B13R1.128 CN(C)CCSCC1=CC(=O)OC1 62a_100000716558_100000755713 [0,1,0,1,0,0|2,0,0]=4 6113 B13R1.128 C[C@@H](N)CCOCC1=CC(=O)OC1 34a_100000706166_100000716558 [0,1,0,1,0,0|1,0,0]=3 6114 B13R1.128 O=C1C=C(CO1)COCCC(F)F 34a_100103093639_100000716558 [0,1,0,1,0,0|2,0,0]=4 6115 B13R1.530 C=C1CC(C1)NC/C=C/C(=O)OC 2230a_100132301982_100000742655 [0,1,0,1,0,0|1,0,1]=4 6116 B13R1.530 COC(=O)/C=C/CNC1CC(C1)F 2230a_100016993743_100000742655 [0,1,0,1,0,0|1,0,0]=3 6117 B13R1.530 COC(=O)/C=C/CN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000742655 [0,1,0,1,0,0|1,0,0]=3 6118 B13R1.530 COC(=O)/C=C/CSC1CC(=O)C1 62a_100009894365_100000742655 [0,1,0,1,0,0|1,0,1]=4 6119 B13R1.594 COC(=O)/C=C/CNCCC1CC1 34a_100000764129_100000742655 [0,1,0,1,0,0|0,0,0]=2 6120 B13R1.594 COC(=O)/C=C/COCCC1CC1 34a_100000754188_100000742655 [0,1,0,1,0,0|0,0,0]=2 6121 B13R1.594 COC(=O)/C=C/COCCC1CC1 7a_100000754188_100000742655 [0,1,0,1,0,0|0,0,0]=2 6122 B13R1.594 COC(=O)/C=C/COCC[C@@H]1CO1 34a_100009820653_100000742655 [0,1,0,1,0,0|1,0,0]=3 6123 B13R1.594 COC(=O)/C=C/CSCCC1CC1 62a_100000742655_100000764125 [0,1,0,1,0,0|0,0,0]=2 6124 B13R1.594 COC(=O)/C=C/CSCCC1CC1 62a_100000764125_100000742655 [0,1,0,1,0,0|0,0,0]=2 6125 B13R1.594 COC(=O)/C=C/CSCCC1CO1 62a_100000732470_100000742655 [0,1,0,1,0,0|1,0,0]=3 6126 B13R1.594 COC(=O)/C=C/CSCCC1CO1 62a_100000742655_100000732470 [0,1,0,1,0,0|1,0,0]=3 6127 B13R1.594 COC(=O)C=CC=NNCC1CC1 4a_100000736359_100016254430 [0,1,0,1,0,0|1,0,1]=4 6128 B13R1.594 COC(=O)CCCCCNC1CC1 34a_100000212008_100009816466 [0,1,0,1,0,0|0,0,2]=4 6129 B13R1.594 COC(=O)CCCCCOC1CC1 34a_100000074720_100000211595 [0,1,0,1,0,0|0,0,2]=4 6130 B13R1.594 COC(=O)CCCCCSC1CC1 62a_100009816466_100000211595 [0,1,0,1,0,0|0,0,2]=4 6131 B13R1.594 COC(=O)CCCCNCC1CC1 2230a_100000735609_100000204269 [0,1,0,1,0,0|0,0,2]=4 6132 B13R1.594 COC(=O)CCCCNCC1CC1 34a_100000735609_100000204269 [0,1,0,1,0,0|0,0,2]=4 6133 B13R1.594 COC(=O)CCCCOCC1CC1 34a_100000059025_100000742324 [0,1,0,1,0,0|0,0,2]=4 6134 B13R1.594 COC(=O)CCCCOCC1CC1 34a_100000211283_100000204269 [0,1,0,1,0,0|0,0,2]=4 6135 B13R1.594 COC(=O)CCCCOCC1CC1 7a_100000059025_100000742324 [0,1,0,1,0,0|0,0,2]=4 6136 B13R1.594 COC(=O)CCCCSCC1CC1 62a_100000204269_100000742324 [0,1,0,1,0,0|0,0,2]=4 6137 B13R1.594 COC(=O)CCCCSCC1CC1 62a_100000756562_100000204269 [0,1,0,1,0,0|0,0,2]=4 6138 B13R1.594 COC(=O)CCCNCCC1CC1 34a_100000764129_100000742333 [0,1,0,1,0,0|0,0,2]=4 6139 B13R1.594 COC(=O)CCCOCCC1CC1 34a_100000754188_100000742333 [0,1,0,1,0,0|0,0,2]=4 6140 B13R1.594 COC(=O)CCCOCCC1CC1 7a_100000754188_100011218270 [0,1,0,1,0,0|0,0,2]=4 6141 B13R1.594 COC(=O)CCCSCCC1CC1 62a_100000764125_100011218270 [0,1,0,1,0,0|0,0,2]=4 6142 B13R1.594 COC(=O)CCCSCCC1CC1 62a_100011218270_100000764125 [0,1,0,1,0,0|0,0,2]=4 6143 B13R1.594 COC(=O)COCCNCC1CC1 2230a_100000735609_100000090808 [0,1,0,1,0,0|1,0,1]=4 6144 B13R1.594 COC(=O)COCCNCC1CC1 34a_100000735609_100000090808 [0,1,0,1,0,0|1,0,1]=4 6145 B13R1.594 COC(=O)COCCOCC1CC1 34a_100000211283_100000090808 [0,1,0,1,0,0|1,0,1]=4 6146 B13R1.594 COC(=O)COCCSCC1CC1 62a_100000090808_100000742324 [0,1,0,1,0,0|1,0,1]=4 6147 B13R1.594 COC(=O)COCCSCC1CC1 62a_100000756562_100000090808 [0,1,0,1,0,0|1,0,1]=4 6148 B13R1.594 COC(=O)NCCOCCC1CC1 34a_100000757965_100000694398 [0,1,0,1,0,0|1,0,1]=4 6149 B13R1.594 COC(=O)OCCOCCC1CC1 34a_100010262106_100000694398 [0,1,0,1,0,0|1,0,1]=4 6150 B13R1.598 COC(=O)CN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_100000747449 [0,1,0,1,0,0|1,0,1]=4 6151 B13R1.598 COC(=O)CN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100000747449 [0,1,0,1,0,0|1,0,1]=4 6152 B13R1.598 COC(=O)COC1CCCC1(C)C 34a_100000726220_100000747449 [0,1,0,1,0,0|1,0,1]=4 6153 B13R1.598 COC(=O)COC1CCCC1(C)C 7a_100000726220_100000747449 [0,1,0,1,0,0|1,0,1]=4 6154 B13R1.2030 COC(=O)/C=C/CNC1CC1(F)F 2230a_100020610826_100000742655 [0,1,0,1,0,0|2,0,0]=4 6155 B13R1.2030 COC(=O)/C=C/CNC1CC1(F)F 34a_100020610826_100000742655 [0,1,0,1,0,0|2,0,0]=4 6156 B13R1.2880 COC(=O)CN1CCCC1C(C)C 2230a_100000762757_100000747449 [0,1,0,1,0,0|1,0,1]=4 6157 B13R1.2880 COC(=O)CN1CCCC1C(C)C 269982a_100000762757_100000747449 [0,1,0,1,0,0|1,0,1]=4 6158 B13R1.2880 COC(=O)CN1CCCC1C(C)C 34a_100000762757_100000747449 [0,1,0,1,0,0|1,0,1]=4 6159 B13R1.27 C#CCCCNCC1=CC(=O)OC1 34a_100000718082_100000716558 [0,1,0,1,0,0|0,0,2]=4 6160 B13R1.27 C#CCCCOCC1=CC(=O)OC1 34a_100000215630_100000716558 [0,1,0,1,0,0|0,0,2]=4 6161 B13R1.27 C#CCCCSCC1=CC(=O)OC1 62a_100000716558_100011215417 [0,1,0,1,0,0|0,0,2]=4 6162 B13R1.27 C#CCCCSCC1=CC(=O)OC1 62a_100011215417_100000716558 [0,1,0,1,0,0|0,0,2]=4 6163 B13R1.27 C/C=C/CCOCC1=CC(=O)OC1 34a_100016278192_100000716558 [0,1,0,1,0,0|0,0,2]=4 6164 B13R1.27 C=CCCCNCC1=CC(=O)OC1 34a_100000700776_100000716558 [0,1,0,1,0,0|0,0,2]=4 6165 B13R1.27 C=CCCCOCC1=CC(=O)OC1 34a_100000758997_100000716558 [0,1,0,1,0,0|0,0,2]=4 6166 B13R1.27 C=CCCCSCC1=CC(=O)OC1 62a_100000716558_100000757094 [0,1,0,1,0,0|0,0,2]=4 6167 B13R1.27 C=CCCCSCC1=CC(=O)OC1 62a_100011713584_100000716558 [0,1,0,1,0,0|0,0,2]=4 6168 B13R1.27 CC#CCCOCC1=CC(=O)OC1 34a_100000750427_100000716558 [0,1,0,1,0,0|0,0,2]=4 6169 B13R1.27 CC/C=C\COCC1=CC(=O)OC1 34a_100016268518_100000716558 [0,1,0,1,0,0|0,0,2]=4 6170 B13R1.27 CC/C=C\CSCC1=CC(=O)OC1 62a_100000716558_100103147603 [0,1,0,1,0,0|0,0,2]=4 6171 B13R1.27 CC/C=C\CSCC1=CC(=O)OC1 62a_100103147603_100000716558 [0,1,0,1,0,0|0,0,2]=4 6172 B13R1.27 CCC#CCOCC1=CC(=O)OC1 34a_100000032950_100000716558 [0,1,0,1,0,0|0,0,2]=4 6173 B13R1.27 CCC#CCSCC1=CC(=O)OC1 62a_100000716558_100009813939 [0,1,0,1,0,0|0,0,2]=4 6174 B13R1.27 CCC#CCSCC1=CC(=O)OC1 62a_100009813939_100000716558 [0,1,0,1,0,0|0,0,2]=4 6175 B13R1.27 CCCCCCOC1COC(=O)O1 34a_100000210259_100000032252 [0,1,0,1,0,0|1,0,1]=4 6176 B13R1.27 CCCCCCSC1COC(=O)O1 62a_100000210314_100000032252 [0,1,0,1,0,0|1,0,1]=4 6177 B13R1.27 CCCCCCSc1cc(on1)C 62a_100000210314_100000716708 [0,1,0,1,0,0|2,0,0]=4 6178 B13R1.27 CCCCCCSc1cc(on1)C 62a_100000716708_100000210757 [0,1,0,1,0,0|2,0,0]=4 6179 B13R1.27 CCCCCNC[C@H]1COC(=O)N1 2230a_100000209983_100015307671 [0,1,0,1,0,0|1,0,1]=4 6180 B13R1.27 CCCCCNCc1cc(on1)C 207a_100000209983_100011217994 [0,1,0,1,0,0|2,0,0]=4 6181 B13R1.27 CCCCCNCc1cc(on1)C 2230a_100000209983_100000199038 [0,1,0,1,0,0|2,0,0]=4 6182 B13R1.27 CCCCCNCc1cc(on1)C 2230a_100000745230_100000210326 [0,1,0,1,0,0|2,0,0]=4 6183 B13R1.27 CCCCCNCc1cc(on1)C 270004a_100000209983_100011217994 [0,1,0,1,0,0|2,0,0]=4 6184 B13R1.27 CCCCCNCc1cc(on1)C 34a_100000745230_100000718602 [0,1,0,1,0,0|2,0,0]=4 6185 B13R1.27 CCCCCNN=C1C=C(OC1)C 4a_100000694160_200009860027 [0,1,0,1,0,0|2,0,0]=4 6186 B13R1.27 CCCCCNN=C1COC(=O)C1 4a_100000694160_100000211896 [0,1,0,1,0,0|1,0,1]=4 6187 B13R1.27 CCCCCOCC1=CC(=O)OC1 34a_100000210253_100000716558 [0,1,0,1,0,0|0,0,0]=2 6188 B13R1.27 CCCCCOCC1COC(=O)O1 34a_100000210253_100000073702 [0,1,0,1,0,0|1,0,1]=4 6189 B13R1.27 CCCCCOC[C@H]1COC(=O)N1 34a_100000210253_100015307671 [0,1,0,1,0,0|1,0,1]=4 6190 B13R1.27 CCCCCOC[C@H]1COC(=O)N1 7a_100000210253_100015307671 [0,1,0,1,0,0|1,0,1]=4 6191 B13R1.27 CCCCCOCc1cc(on1)C 34a_100000210253_100000199038 [0,1,0,1,0,0|2,0,0]=4 6192 B13R1.27 CCCCCOCc1cc(on1)C 34a_100011216401_100000718602 [0,1,0,1,0,0|2,0,0]=4 6193 B13R1.27 CCCCCOCc1cc(on1)C 7a_100000210253_100000199038 [0,1,0,1,0,0|2,0,0]=4 6194 B13R1.27 CCCCCSCC1=CC(=O)OC1 62a_100000210326_100000716558 [0,1,0,1,0,0|0,0,0]=2 6195 B13R1.27 CCCCCSCC1=CC(=O)OC1 62a_100000716558_100000210326 [0,1,0,1,0,0|0,0,0]=2 6196 B13R1.27 CCCCCSCC1COC(=O)O1 62a_100000073702_100000210326 [0,1,0,1,0,0|1,0,1]=4 6197 B13R1.27 CCCCCSCC1COC(=O)O1 62a_100000210326_100000073702 [0,1,0,1,0,0|1,0,1]=4 6198 B13R1.27 CCCCCSC[C@H]1COC(=O)N1 62a_100000210326_100015307671 [0,1,0,1,0,0|1,0,1]=4 6199 B13R1.27 CCCCCSC[C@H]1COC(=O)N1 62a_100015307671_100000210326 [0,1,0,1,0,0|1,0,1]=4 6200 B13R1.27 CCCCCSCc1cc(on1)C 62a_100000199038_100000210326 [0,1,0,1,0,0|2,0,0]=4 6201 B13R1.27 CCCCCSCc1cc(on1)C 62a_100000210326_100000199038 [0,1,0,1,0,0|2,0,0]=4 6202 B13R1.27 CCOCCNCC1=CC(=O)OC1 34a_102516460346_100000716558 [0,1,0,1,0,0|1,0,0]=3 6203 B13R1.27 CCOCCOCC1=CC(=O)OC1 34a_100000210136_100000716558 [0,1,0,1,0,0|1,0,0]=3 6204 B13R1.27 CCOCCSCC1=CC(=O)OC1 62a_100000210147_100000716558 [0,1,0,1,0,0|1,0,0]=3 6205 B13R1.27 CCOCCSCC1=CC(=O)OC1 62a_100000716558_100011215890 [0,1,0,1,0,0|1,0,0]=3 6206 B13R1.27 CCSCCOCC1=CC(=O)OC1 34a_100000212035_100000716558 [0,1,0,1,0,0|1,0,0]=3 6207 B13R1.27 CCSCCSCC1=CC(=O)OC1 62a_100000716558_100000757381 [0,1,0,1,0,0|1,0,0]=3 6208 B13R1.27 CCSCCSCC1=CC(=O)OC1 62a_100000757381_100000716558 [0,1,0,1,0,0|1,0,0]=3 6209 B13R1.27 CNCCCOCC1=CC(=O)OC1 34a_100000213112_100000716558 [0,1,0,1,0,0|1,0,0]=3 6210 B13R1.27 COCCCNCC1=CC(=O)OC1 34a_100150723488_100000716558 [0,1,0,1,0,0|1,0,0]=3 6211 B13R1.27 COCCCOCC1=CC(=O)OC1 34a_100000740835_100000716558 [0,1,0,1,0,0|1,0,0]=3 6212 B13R1.27 COCCCSCC1=CC(=O)OC1 62a_100000709357_100000716558 [0,1,0,1,0,0|1,0,0]=3 6213 B13R1.27 COCCCSCC1=CC(=O)OC1 62a_100000716558_100000709357 [0,1,0,1,0,0|1,0,0]=3 6214 B13R1.27 CSCCCOCC1=CC(=O)OC1 34a_100000690336_100000716558 [0,1,0,1,0,0|1,0,0]=3 6215 B13R1.27 N#CCCCSCC1=CC(=O)OC1 62a_100000687738_100000716558 [0,1,0,1,0,0|1,0,1]=4 6216 B13R1.27 N#CCCCSCC1=CC(=O)OC1 62a_100000716558_100000687738 [0,1,0,1,0,0|1,0,1]=4 6217 B13R1.27 NCCCCOCC1=CC(=O)OC1 34a_100000750430_100000716558 [0,1,0,1,0,0|1,0,0]=3 6218 B13R1.27 O=C1C=C(CO1)CNCCCCO 34a_100000750430_100000716558 [0,1,0,1,0,0|1,0,0]=3 6219 B13R1.27 O=C1C=C(CO1)COCCCCBr 34a_100011216708_100000716558 [0,1,0,1,0,0|1,0,0]=3 6220 B13R1.27 O=C1C=C(CO1)COCCCCCl 34a_100000210776_100000716558 [0,1,0,1,0,0|1,0,0]=3 6221 B13R1.27 O=C1C=C(CO1)COCCCCF 34a_100011995726_100000716558 [0,1,0,1,0,0|1,0,0]=3 6222 B13R1.27 O=C1C=C(CO1)COCCCCI 34a_200012148704_100000716558 [0,1,0,1,0,0|1,0,0]=3 6223 B13R1.27 O=C1C=C(CO1)CSCCCCF 62a_100000716558_100000729493 [0,1,0,1,0,0|1,0,0]=3 6224 B13R1.27 O=C1C=C(CO1)CSCCCCF 62a_100000729493_100000716558 [0,1,0,1,0,0|1,0,0]=3 6225 B13R1.27 O=C1C=C(CO1)CSCCCCO 62a_100000210776_100000716558 [0,1,0,1,0,0|1,0,0]=3 6226 B13R1.27 O=C1C=C(CO1)CSCCCCO 62a_100000716558_100000210776 [0,1,0,1,0,0|1,0,0]=3 6227 B13R1.27 O=CCCCSCC1=CC(=O)OC1 62a_100000716558_200011292268 [0,1,0,1,0,0|1,0,1]=4 6228 B13R1.27 O=CCCCSCC1=CC(=O)OC1 62a_200011292268_100000716558 [0,1,0,1,0,0|1,0,1]=4 6229 B13R1.91 CCC1CCCCN1CC(=O)OC 2230a_100000210034_100000747449 [0,1,0,1,0,0|0,0,2]=4 6230 B13R1.91 CCC1CCCCN1CC(=O)OC 269982a_100000210034_100000747449 [0,1,0,1,0,0|0,0,2]=4 6231 B13R1.91 CCC1CCCCN1CC(=O)OC 34a_100000210034_100000747449 [0,1,0,1,0,0|0,0,2]=4 6232 B13R1.91 CC[C@H]1COCCN1CC(=O)OC 2230a_100016988097_100000747449 [0,1,0,1,0,0|1,0,1]=4 6233 B13R1.91 CC[C@H]1COCCN1CC(=O)OC 269982a_100016988097_100000747449 [0,1,0,1,0,0|1,0,1]=4 6234 B13R1.91 CC[C@H]1COCCN1CC(=O)OC 34a_100016988097_100000747449 [0,1,0,1,0,0|1,0,1]=4 6235 B13R1.91 COC(=O)CN1CCCCC1CO 2230a_100000210821_100000747449 [0,1,0,1,0,0|1,0,1]=4 6236 B13R1.91 COC(=O)CN1CCCCC1CO 269982a_100000210821_100000747449 [0,1,0,1,0,0|1,0,1]=4 6237 B13R1.91 COC(=O)CN1CCCCC1CO 34a_100000210821_100000747449 [0,1,0,1,0,0|1,0,1]=4 6238 B13R1.382 CCCN1CCCCC1C(=O)OC 2230a_100000734855_100000210303 [0,1,0,1,0,0|0,0,2]=4 6239 B13R1.382 CCCN1CCCCC1C(=O)OC 269982a_100000734855_100000210303 [0,1,0,1,0,0|0,0,2]=4 6240 B13R1.382 CCCN1CCCCC1C(=O)OC 34a_100000734855_100000210303 [0,1,0,1,0,0|0,0,2]=4 6241 B13R1.382 CCO[C@H]1CCCC[C@H]1C(=O)OC 34a_100015709673_100000210202 [0,1,0,1,0,0|0,0,2]=4 6242 B13R1.382 CCO[C@H]1CCCC[C@H]1C(=O)OC 7a_100015709673_100000210202 [0,1,0,1,0,0|0,0,2]=4 6243 B13R1.393 CCCN1CCC[C@@H]1CC(=O)OC 2230a_100025726698_100000210303 [0,1,0,1,0,0|0,0,2]=4 6244 B13R1.393 CCCN1CCC[C@@H]1CC(=O)OC 269982a_100025726698_100000210303 [0,1,0,1,0,0|0,0,2]=4 6245 B13R1.393 CCCN1CCC[C@@H]1CC(=O)OC 34a_100025726698_100000210303 [0,1,0,1,0,0|0,0,2]=4 6246 B13R1.393 COC[C@@H]1CCCN1CC(=O)OC 2230a_100020646714_100000747449 [0,1,0,1,0,0|1,0,1]=4 6247 B13R1.393 COC[C@@H]1CCCN1CC(=O)OC 269982a_100020646714_100000747449 [0,1,0,1,0,0|1,0,1]=4 6248 B13R1.393 COC[C@@H]1CCCN1CC(=O)OC 34a_100020646714_100000747449 [0,1,0,1,0,0|1,0,1]=4 6249 B13R1.536 COC(=O)/C=C/CNC1CC=CC1 2230a_100015188752_100000742655 [0,1,0,1,0,0|0,0,2]=4 6250 B13R1.536 COC(=O)/C=C/CNC1CCCC1 2230a_100000211070_100000742655 [0,1,0,1,0,0|0,0,0]=2 6251 B13R1.536 COC(=O)/C=C/CNC1CCCC1 34a_100000211070_100000742655 [0,1,0,1,0,0|0,0,0]=2 6252 B13R1.536 COC(=O)/C=C/CN[C@@H]1CCOC1 2230a_200015188469_100000742655 [0,1,0,1,0,0|1,0,0]=3 6253 B13R1.536 COC(=O)/C=C/CN[C@H]1CCOC1 2230a_100015188467_100000742655 [0,1,0,1,0,0|1,0,0]=3 6254 B13R1.536 COC(=O)/C=C/CN[C@H]1CCOC1 34a_100015188467_100000742655 [0,1,0,1,0,0|1,0,0]=3 6255 B13R1.536 COC(=O)/C=C/COC1CCCC1 34a_100000210269_100000742655 [0,1,0,1,0,0|0,0,0]=2 6256 B13R1.536 COC(=O)/C=C/COC1CCCC1 7a_100000210269_100000742655 [0,1,0,1,0,0|0,0,0]=2 6257 B13R1.536 COC(=O)/C=C/COC1CCCO1 34a_100000085407_100000742655 [0,1,0,1,0,0|1,0,0]=3 6258 B13R1.536 COC(=O)/C=C/COC1CCSC1 7a_100011232664_100000742655 [0,1,0,1,0,0|1,0,0]=3 6259 B13R1.536 COC(=O)/C=C/CO[C@H]1CCOC1 34a_100000717292_100000742655 [0,1,0,1,0,0|1,0,0]=3 6260 B13R1.536 COC(=O)/C=C/CSC1CCCC1 62a_100000742655_100000179811 [0,1,0,1,0,0|0,0,0]=2 6261 B13R1.536 COC(=O)/C=C/CSC1CCCC1 62a_100011217020_100000742655 [0,1,0,1,0,0|0,0,0]=2 6262 B13R1.536 COC(=O)/C=C/CSC1CCOC1 62a_100000742655_100000690089 [0,1,0,1,0,0|1,0,0]=3 6263 B13R1.536 COC(=O)CC=NNC1CCCC1 4a_100000737850_200011552997 [0,1,0,1,0,0|1,0,1]=4 6264 B13R1.536 COC(=O)CCCCN1CCCC1 2230a_100000188435_100000204269 [0,1,0,1,0,0|0,0,2]=4 6265 B13R1.536 COC(=O)CCCCN1CCCC1 269982a_100000188435_100000204269 [0,1,0,1,0,0|0,0,2]=4 6266 B13R1.536 COC(=O)CCCNC1CCCC1 2230a_100000211070_100011218270 [0,1,0,1,0,0|0,0,2]=4 6267 B13R1.536 COC(=O)CCCNC1CCCC1 34a_100000211070_100000742333 [0,1,0,1,0,0|0,0,2]=4 6268 B13R1.536 COC(=O)CCCOC1CCCC1 34a_100000210269_100000742333 [0,1,0,1,0,0|0,0,2]=4 6269 B13R1.536 COC(=O)CCCOC1CCCC1 7a_100000210269_100011218270 [0,1,0,1,0,0|0,0,2]=4 6270 B13R1.536 COC(=O)CCCSC1CCCC1 62a_100011217020_100011218270 [0,1,0,1,0,0|0,0,2]=4 6271 B13R1.536 COC(=O)CCCSC1CCCC1 62a_100011218270_100000179811 [0,1,0,1,0,0|0,0,2]=4 6272 B13R1.536 COC(=O)CCNCC1CCCC1 2230a_100000737975_100000204255 [0,1,0,1,0,0|0,0,2]=4 6273 B13R1.536 COC(=O)CCNCC1CCCC1 34a_100000737975_100000742370 [0,1,0,1,0,0|0,0,2]=4 6274 B13R1.536 COC(=O)CCOCC1CCCC1 34a_100000742336_100000742370 [0,1,0,1,0,0|0,0,2]=4 6275 B13R1.536 COC(=O)CCOCC1CCCC1 7a_100000742336_100000204255 [0,1,0,1,0,0|0,0,2]=4 6276 B13R1.536 COC(=O)CCSCC1CCCC1 62a_100000204255_100000740388 [0,1,0,1,0,0|0,0,2]=4 6277 B13R1.536 COC(=O)CCSCC1CCCC1 62a_100000740388_100000204255 [0,1,0,1,0,0|0,0,2]=4 6278 B13R1.536 COC(=O)CNCCC1CCCC1 2230a_100000739158_100000747449 [0,1,0,1,0,0|0,0,2]=4 6279 B13R1.536 COC(=O)CNCCC1CCCC1 34a_100000739158_100000747449 [0,1,0,1,0,0|0,0,2]=4 6280 B13R1.536 COC(=O)COCCC1CCCC1 34a_100000749090_100000747449 [0,1,0,1,0,0|0,0,2]=4 6281 B13R1.536 COC(=O)COCCC1CCCC1 7a_100000749090_100000747449 [0,1,0,1,0,0|0,0,2]=4 6282 B13R1.536 COC(=O)COCCC1CCNC1 34a_100016987287_100000747449 [0,1,0,1,0,0|1,0,1]=4 6283 B13R1.536 COC(=O)COCCC1CCOC1 34a_100011879284_100000747449 [0,1,0,1,0,0|1,0,1]=4 6284 B13R1.536 COC(=O)COCCN1CCCC1 2230a_100000188435_100000090808 [0,1,0,1,0,0|1,0,1]=4 6285 B13R1.536 COC(=O)CSCCC1CCCC1 62a_100000747449_100000760354 [0,1,0,1,0,0|0,0,2]=4 6286 B13R1.536 COC(=O)CSCCC1CCCC1 62a_100000760354_100000747449 [0,1,0,1,0,0|0,0,2]=4 6287 B13R1.536 COC(=O)CSCCN1CCCC1 62a_100000700749_100000747449 [0,1,0,1,0,0|1,0,1]=4 6288 B13R1.536 COC(=O)CSCCN1CCCC1 62a_100000747449_100000004467 [0,1,0,1,0,0|1,0,1]=4 6289 B13R1.536 COC(=O)NCCOC1CCCC1 34a_100000757965_100000179811 [0,1,0,1,0,0|1,0,1]=4 6290 B13R1.536 COC(=O)OCCOC1CCCC1 34a_100010262106_100000179811 [0,1,0,1,0,0|1,0,1]=4 6291 B13R1.536 COC(=O)OCSCC1CCCC1 62a_100000740388_100000139417 [0,1,0,1,0,0|1,0,1]=4 6292 B13R1.581 CCCCN1CCC[C@H]1C(=O)OC 2230a_100000752040_100000210211 [0,1,0,1,0,0|0,0,2]=4 6293 B13R1.581 CCCCN1CCC[C@H]1C(=O)OC 269982a_100000752040_100000210211 [0,1,0,1,0,0|0,0,2]=4 6294 B13R1.581 CCCCN1CCSC1C(=O)OC 2230a_100015296106_100000210211 [0,1,0,1,0,0|1,0,1]=4 6295 B13R1.581 CCCCN1CCSC1C(=O)OC 269982a_100015296106_100000210211 [0,1,0,1,0,0|1,0,1]=4 6296 B13R1.581 CCCCc1cc[nH]c1C(=O)OC 271570a_100020621405_100102525103 [0,1,0,1,0,0|0,0,2]=4 6297 B13R1.581 CCCCc1ccoc1C(=O)OC 271570a_100020621405_100012676306 [0,1,0,1,0,0|0,0,2]=4 6298 B13R1.581 CCCCc1ccsc1C(=O)OC 271570a_100020621405_100000730364 [0,1,0,1,0,0|0,0,2]=4 6299 B13R1.581 CCCCc1cscc1C(=O)OC 271570a_100020621405_100012351140 [0,1,0,1,0,0|0,0,2]=4 6300 B13R1.581 CCCCc1nc[nH]c1C(=O)OC 271570a_100020621405_100010290838 [0,1,0,1,0,0|1,0,1]=4 6301 B13R1.581 CCCCc1ncsc1C(=O)OC 271570a_100020621405_100013370767 [0,1,0,1,0,0|1,0,1]=4 6302 B13R1.581 CCCCc1occc1C(=O)OC 271570a_100020621405_100011935261 [0,1,0,1,0,0|0,0,2]=4 6303 B13R1.581 CCCCc1sccc1C(=O)OC 271570a_100020621405_100009822520 [0,1,0,1,0,0|0,0,2]=4 6304 B13R1.581 CCCCc1scnc1C(=O)OC 271570a_100020621405_100009816836 [0,1,0,1,0,0|1,0,1]=4 6305 B13R1.581 CCCOC1CCCC1C(=O)OC 34a_200000081814_100000210303 [0,1,0,1,0,0|0,0,2]=4 6306 B13R1.581 CCCOC1CCCC1C(=O)OC 7a_200000081814_100000210303 [0,1,0,1,0,0|0,0,2]=4 6307 B13R1.599 COC(=O)/C=C/CN1CCC[C@@H]1C 2230a_100020605311_100000742655 [0,1,0,1,0,0|0,0,0]=2 6308 B13R1.599 COC(=O)/C=C/CN1CCC[C@@H]1C 269982a_100020605311_100000742655 [0,1,0,1,0,0|0,0,0]=2 6309 B13R1.599 COC(=O)/C=C/CN1CCC[C@H]1C 2230a_100015189458_100000742655 [0,1,0,1,0,0|0,0,0]=2 6310 B13R1.599 COC(=O)/C=C/CN1CCC[C@H]1C 269982a_100015189458_100000742655 [0,1,0,1,0,0|0,0,0]=2 6311 B13R1.599 COC(=O)/C=C/CN1CCC[C@H]1C 34a_100015189458_100000742655 [0,1,0,1,0,0|0,0,0]=2 6312 B13R1.599 COC(=O)/C=C/CN1CCSC1C 2230a_200011216479_100000742655 [0,1,0,1,0,0|1,0,0]=3 6313 B13R1.599 COC(=O)/C=C/CN1CCSC1C 269982a_200011216479_100000742655 [0,1,0,1,0,0|1,0,0]=3 6314 B13R1.599 COC(=O)/C=C/CN1CCSC1C 34a_200011216479_100000742655 [0,1,0,1,0,0|1,0,0]=3 6315 B13R1.599 COC(=O)CCCN1CCC[C@@H]1C 2230a_100020605311_100011218270 [0,1,0,1,0,0|0,0,2]=4 6316 B13R1.599 COC(=O)CCCN1CCC[C@@H]1C 269982a_100020605311_100011218270 [0,1,0,1,0,0|0,0,2]=4 6317 B13R1.599 COC(=O)CCCN1CCC[C@H]1C 2230a_100015189458_100011218270 [0,1,0,1,0,0|0,0,2]=4 6318 B13R1.599 COC(=O)CCCN1CCC[C@H]1C 269982a_100015189458_100011218270 [0,1,0,1,0,0|0,0,2]=4 6319 B13R1.599 COC(=O)CCCN1CCC[C@H]1C 34a_100015189458_100000742333 [0,1,0,1,0,0|0,0,2]=4 6320 B13R1.599 COC(=O)CCOC1CCCC1C 34a_100011216460_100000742370 [0,1,0,1,0,0|0,0,2]=4 6321 B13R1.599 COC(=O)CCOC1CCCC1C 7a_100011216460_100000204255 [0,1,0,1,0,0|0,0,2]=4 6322 B13R1.599 COC(=O)COCC1CCCN1C 34a_100000743107_100000747449 [0,1,0,1,0,0|1,0,1]=4 6323 B13R1.613 CCC(=O)NN=C1CCCC1CC 4a_100000183195_100000749056 [0,1,0,1,0,0|2,0,0]=4 6324 B13R1.613 CCC1CCCN1CCC(=O)OC 2230a_100000754278_100000204255 [0,1,0,1,0,0|0,0,2]=4 6325 B13R1.613 CCC1CCCN1CCC(=O)OC 269982a_100000754278_100000204255 [0,1,0,1,0,0|0,0,2]=4 6326 B13R1.613 CCC1CCCN1CCC(=O)OC 34a_100000754278_100000742370 [0,1,0,1,0,0|0,0,2]=4 6327 B13R1.2855 CCCCCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000210326 [0,1,0,1,0,0|0,0,2]=4 6328 B13R1.2855 CCCCCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000210215 [0,1,0,1,0,0|0,0,2]=4 6329 B13R1.351 CC(C)C(=O)C=CC1CCCCC1 1458a_100102566626_100000210206 [0,1,0,1,0,0|1,0,0]=3 6330 B13R1.351 CN(C)C(=O)C=CC1CCCCC1 11a_100102631434_100102566626 [0,1,0,1,0,0|1,0,0]=3 6331 B13R1.351 CN(C)C(=O)C=CC1CCCCC1 1626a_100102631434_100102566626 [0,1,0,1,0,0|1,0,0]=3 6332 B13R1.351 CN(C)C(=O)C=CC1CCCCC1 240690a_100102631434_100102566626 [0,1,0,1,0,0|1,0,0]=3 6333 B13R1.6192 CC(C)C(=O)C=C1CCCCCC1 1458a_100011240665_100000210206 [0,1,0,1,0,0|1,0,0]=3 6334 B13R1.6192 CN(C)C(=O)C=C1CCCCCC1 11a_100102631434_100011240665 [0,1,0,1,0,0|1,0,0]=3 6335 B13R1.6192 CN(C)C(=O)C=C1CCCCCC1 1626a_100102631434_100011240665 [0,1,0,1,0,0|1,0,0]=3 6336 B13R1.6192 CN(C)C(=O)C=C1CCCCCC1 240690a_100102631434_100011240665 [0,1,0,1,0,0|1,0,0]=3 6337 B13R1.41 CC(CCBr)OCC1=CC(=O)OC1 34a_100012276601_100000716558 [0,1,0,1,0,0|2,0,0]=4 6338 B13R1.41 CC(CCO)SCC1=CC(=O)OC1 62a_100000716558_100009893172 [0,1,0,1,0,0|2,0,0]=4 6339 B13R1.41 CC(CCO)SCC1=CC(=O)OC1 62a_100009893172_100000716558 [0,1,0,1,0,0|2,0,0]=4 6340 B13R1.41 CCCC(C)OCC1=CC(=O)OC1 34a_100000764384_100000716558 [0,1,0,1,0,0|1,0,0]=3 6341 B13R1.41 CCCC(C)SCC1=CC(=O)OC1 62a_100000716558_100000766640 [0,1,0,1,0,0|1,0,0]=3 6342 B13R1.41 CCCC(C)SCC1=CC(=O)OC1 62a_100000766640_100000716558 [0,1,0,1,0,0|1,0,0]=3 6343 B13R1.41 COCC(C)SCC1=CC(=O)OC1 62a_100000716558_100000765312 [0,1,0,1,0,0|2,0,0]=4 6344 B13R1.41 COCC(C)SCC1=CC(=O)OC1 62a_100000765312_100000716558 [0,1,0,1,0,0|2,0,0]=4 6345 B13R1.41 COC[C@@H](C)OCC1=CC(=O)OC1 34a_100011934205_100000716558 [0,1,0,1,0,0|2,0,0]=4 6346 B13R1.41 C[C@H](CCO)NCC1=CC(=O)OC1 34a_100000706166_100000716558 [0,1,0,1,0,0|2,0,0]=4 6347 B13R1.1734 COC(=O)/C=C/CNC(C)C1CC1 2230a_100000700016_100000742655 [0,1,0,1,0,0|1,0,0]=3 6348 B13R1.1734 COC(=O)/C=C/CNC(C)C1CC1 34a_100000700016_100000742655 [0,1,0,1,0,0|1,0,0]=3 6349 B13R1.1734 COC(=O)/C=C/COC(C)C1CC1 34a_100000744524_100000742655 [0,1,0,1,0,0|1,0,0]=3 6350 B13R1.1734 COC(=O)/C=C/COC(C)C1CC1 7a_100000744524_100000742655 [0,1,0,1,0,0|1,0,0]=3 6351 B13R1.2031 COC(=O)/C=C/CNC1(CCC1)C 2230a_100000692455_100000742655 [0,1,0,1,0,0|1,0,0]=3 6352 B13R1.2031 COC(=O)/C=C/CNC1(CCC1)C 34a_100000692455_100000742655 [0,1,0,1,0,0|1,0,0]=3 6353 B13R1.2031 COC(=O)/C=C/CNC1(COC1)C 2230a_100000732644_100000742655 [0,1,0,1,0,0|2,0,0]=4 6354 B13R1.2031 COC(=O)/C=C/COC1(CCC1)C 34a_100000759064_100000742655 [0,1,0,1,0,0|1,0,0]=3 6355 B13R1.2031 COC(=O)/C=C/COC1(CCC1)C 7a_100000759064_100000742655 [0,1,0,1,0,0|1,0,0]=3 6356 B13R1.2031 COC(=O)/C=C/COC1(CSC1)C 7a_100016018533_100000742655 [0,1,0,1,0,0|2,0,0]=4 6357 B13R2.143 O=C1C=C(CO1)CN[C@@H]2C[C@H]2F 34a_100025746932_100000716558 [0,0,0,2,0,0|2,0,0]=4 6358 B13R2.145 CC1CCN1CC2=CC(=O)OC2 34a_100000755817_100000716558 [0,0,0,2,0,0|1,0,0]=3 6359 B13R2.2973 O=C1C=C(CO1)CNCC2CC2 34a_100000735609_100000716558 [0,0,0,2,0,0|1,0,0]=3 6360 B13R2.2973 O=C1C=C(CO1)COCC2CC2 34a_100000211283_100000716558 [0,0,0,2,0,0|1,0,0]=3 6361 B13R2.2973 O=C1C=C(CO1)COC[C@@H]2CO2 34a_100000757423_100000716558 [0,0,0,2,0,0|2,0,0]=4 6362 B13R2.2973 O=C1C=C(CO1)CSCC2CC2 62a_100000716558_100000742324 [0,0,0,2,0,0|1,0,0]=3 6363 B13R2.2973 O=C1C=C(CO1)CSCC2CC2 62a_100000756562_100000716558 [0,0,0,2,0,0|1,0,0]=3 6364 B13R2.2973 O=C1C=C(CO1)CSCC2CO2 62a_100000716558_102125554688 [0,0,0,2,0,0|2,0,0]=4 6365 B13R2.2973 O=C1C=C(CO1)CSCC2CO2 62a_102125554688_100000716558 [0,0,0,2,0,0|2,0,0]=4 6366 B13R2.2973 O=C1C=C(CO1)CSCC2CS2 62a_100000031435_100000716558 [0,0,0,2,0,0|2,0,0]=4 6367 B13R2.2973 O=C1C=C(CO1)CSCC2CS2 62a_100000716558_100000031435 [0,0,0,2,0,0|2,0,0]=4 6368 B13R2.2973 O=C1C=C(CO1)CSC[C@@H]2CO2 62a_100000716558_100000745022 [0,0,0,2,0,0|2,0,0]=4 6369 B13R2.2973 O=C1C=C(CO1)CSC[C@@H]2CO2 62a_100000745022_100000716558 [0,0,0,2,0,0|2,0,0]=4 6370 B13R2.2974 O=C1C=C(CO1)CNC2CCC2 34a_100000749019_100000716558 [0,0,0,2,0,0|1,0,0]=3 6371 B13R2.2974 O=C1C=C(CO1)COC2CCC2 34a_100000748187_100000716558 [0,0,0,2,0,0|1,0,0]=3 6372 B13R2.2974 O=C1C=C(CO1)CSC2CCC2 62a_100000716558_100000749161 [0,0,0,2,0,0|1,0,0]=3 6373 B13R2.2974 O=C1C=C(CO1)CSC2COC2 62a_100000716558_100009818527 [0,0,0,2,0,0|2,0,0]=4 6374 B13R2.1106 COC(=O)CN1C2CCC1CC2 2230a_100000735658_100000747449 [0,0,0,2,0,0|1,0,1]=4 6375 B13R2.1106 COC(=O)CN1C2CCC1CC2 269982a_100000735658_100000747449 [0,0,0,2,0,0|1,0,1]=4 6376 B13R2.1106 COC(=O)CN1C2CCC1CC2 34a_100000735658_100000747449 [0,0,0,2,0,0|1,0,1]=4 6377 B13R2.1304 COC(=O)COC1CCC2C1C2 34a_200012295571_100000747449 [0,0,0,2,0,0|1,0,1]=4 6378 B13R2.2400 COC(=O)CN1CCCC12CC2 2230a_100020620911_100000747449 [0,0,0,2,0,0|1,0,1]=4 6379 B13R2.2400 COC(=O)CN1CCCC12CC2 269982a_100020620911_100000747449 [0,0,0,2,0,0|1,0,1]=4 6380 B13R2.2400 COC(=O)CN1CCCC12CC2 34a_100020620911_100000747449 [0,0,0,2,0,0|1,0,1]=4 6381 B13R2.6859 COC(=O)CN1CC2CCC1C2 2230a_100000743476_100000747449 [0,0,0,2,0,0|1,0,1]=4 6382 B13R2.6859 COC(=O)CN1CC2CCC1C2 269982a_100000743476_100000747449 [0,0,0,2,0,0|1,0,1]=4 6383 B13R2.6859 COC(=O)CN1CC2CCC1C2 34a_100000743476_100000747449 [0,0,0,2,0,0|1,0,1]=4