0 B9R0.46 C#CC(=O)CC/C=C\CC 1458a_100000211873_100015370543 [0,0,0,0,0,0|0,0,4]=4 1 B9R0.46 C#CC(=O)CCCCC#N 1458a_100000211873_100000211819 [0,0,0,0,0,0|1,0,3]=4 2 B9R0.46 C#CC(=O)CCCCC=C 1458a_100000211873_100011215482 [0,0,0,0,0,0|0,0,4]=4 3 B9R0.46 C#CC(=O)CCCCCC 1458a_100000211873_100000210757 [0,0,0,0,0,0|0,0,2]=2 4 B9R0.46 C#CC(=O)CCCCCF 1458a_100000211873_100000729378 [0,0,0,0,0,0|1,0,2]=3 5 B9R0.46 C#CC(=O)CCCCCO 1458a_100000211873_100000746330 [0,0,0,0,0,0|1,0,2]=3 6 B9R0.46 C#CC(=O)CCCCOC 1458a_100000211873_100000755781 [0,0,0,0,0,0|1,0,2]=3 7 B9R0.46 C#CC(=O)CCCOCC 1458a_100000211873_100012232248 [0,0,0,0,0,0|1,0,2]=3 8 B9R0.46 C#CC(=O)CCOCCC 1458a_100000211873_100011215938 [0,0,0,0,0,0|1,0,2]=3 9 B9R0.46 C#CC(=O)CCOCCO 1458a_100000211873_100011215305 [0,0,0,0,0,0|2,0,2]=4 10 B9R0.46 C#CC(=O)COCCCC 1458a_100000211873_100011995733 [0,0,0,0,0,0|1,0,2]=3 11 B9R0.46 C#CCCCCC(=O)C#C 1458a_100000211873_100010269958 [0,0,0,0,0,0|0,0,4]=4 12 B9R0.46 C#CCCCCC(=O)C=C 1458a_100000185746_100010269958 [0,0,0,0,0,0|0,0,4]=4 13 B9R0.46 C#CCCCCC(=O)CC 1458a_100000210414_100010269958 [0,0,0,0,0,0|0,0,2]=2 14 B9R0.46 C#CCCCCC(=O)CC 1458a_100000696528_100000210202 [0,0,0,0,0,0|0,0,2]=2 15 B9R0.46 C#CCCCCC(=O)CF 1458a_100000696528_100015361967 [0,0,0,0,0,0|1,0,2]=3 16 B9R0.46 C#CCCCCC(=O)CO 1458a_100000210174_100010269958 [0,0,0,0,0,0|1,0,2]=3 17 B9R0.46 C#CCCCCC(=O)NC 11a_106832991635_100000696528 [0,0,0,0,0,0|1,0,2]=3 18 B9R0.46 C#CCCCCC(=O)NC 1626a_100102657272_100000696528 [0,0,0,0,0,0|1,0,2]=3 19 B9R0.46 C#CCCCCC(=O)NC 240690a_100102657272_100000696528 [0,0,0,0,0,0|1,0,2]=3 20 B9R0.46 C#CCCCCC(=O)NC 527a_100102657272_100000696528 [0,0,0,0,0,0|1,0,2]=3 21 B9R0.46 C#CCCCCN(C)CC 2230a_100000225621_100010269958 [0,0,0,0,0,0|2,0,2]=4 22 B9R0.46 C#CCCCCN(C)CC 269982a_100000225621_100010269958 [0,0,0,0,0,0|2,0,2]=4 23 B9R0.46 C#CCCCNC(=O)CC 11a_100000718082_100000210414 [0,0,0,0,0,0|1,0,2]=3 24 B9R0.46 C#CCCCNC(=O)CC 1626a_100000718082_100000210414 [0,0,0,0,0,0|1,0,2]=3 25 B9R0.46 C#CCCCNC(=O)CC 240690a_100000718082_100000210414 [0,0,0,0,0,0|1,0,2]=3 26 B9R0.46 C#CCCCNC(=O)CC 527a_100000718082_100000210414 [0,0,0,0,0,0|1,0,2]=3 27 B9R0.46 C#CCCCNC(=O)CO 240690a_100000718082_100000210174 [0,0,0,0,0,0|2,0,2]=4 28 B9R0.46 C#CCCCNC(=O)CO 527a_100000718082_100000210174 [0,0,0,0,0,0|2,0,2]=4 29 B9R0.46 C#CCCCNC(=O)NC 2708a_100000718082_106832991635 [0,0,0,0,0,0|2,0,2]=4 30 B9R0.46 C#CCCCNC(=O)NC 2708a_100102657272_100000718082 [0,0,0,0,0,0|2,0,2]=4 31 B9R0.46 C#CCCCNC(=O)NC 273464a_100000718082_100102657272 [0,0,0,0,0,0|2,0,2]=4 32 B9R0.46 C#CCCCNC(=O)NC 273464a_100102657272_100000718082 [0,0,0,0,0,0|2,0,2]=4 33 B9R0.46 C#CCCCNC(=O)NC 512a_100000718082_100102657272 [0,0,0,0,0,0|2,0,2]=4 34 B9R0.46 C#CCCCNC(=O)NC 512a_106832991638_100000718082 [0,0,0,0,0,0|2,0,2]=4 35 B9R0.46 C#CCCNCC(=O)NC 2230a_100000693194_100000688953 [0,0,0,0,0,0|2,0,2]=4 36 B9R0.46 C#CCCNCC(=O)NC 34a_100000755551_100000183359 [0,0,0,0,0,0|2,0,2]=4 37 B9R0.46 C#CCCNCC(=O)OC 34a_100000755551_100000747449 [0,0,0,0,0,0|2,0,2]=4 38 B9R0.46 C#CCCOCC(=O)CC 34a_100000725409_100000688953 [0,0,0,0,0,0|1,0,2]=3 39 B9R0.46 C#CCCOCC(=O)NC 34a_100000750040_100000688953 [0,0,0,0,0,0|2,0,2]=4 40 B9R0.46 C#CCCOCC(=O)NC 34a_100011215631_100000183359 [0,0,0,0,0,0|2,0,2]=4 41 B9R0.46 C#CCCOCC(=O)OC 34a_100011215631_100000747449 [0,0,0,0,0,0|2,0,2]=4 42 B9R0.46 C#CCCSCC(=O)CC 62a_100000688953_100000747405 [0,0,0,0,0,0|1,0,2]=3 43 B9R0.46 C#CCCSCC(=O)CC 62a_100000747405_100000688953 [0,0,0,0,0,0|1,0,2]=3 44 B9R0.46 C#CCCSCC(=O)NC 62a_100000183359_100000688953 [0,0,0,0,0,0|2,0,2]=4 45 B9R0.46 C#CCCSCC(=O)NC 62a_100000688953_100000183359 [0,0,0,0,0,0|2,0,2]=4 46 B9R0.46 C#CCCSCC(=O)OC 62a_100000688953_100000747449 [0,0,0,0,0,0|2,0,2]=4 47 B9R0.46 C#CCCSCC(=O)OC 62a_100000747449_100000688953 [0,0,0,0,0,0|2,0,2]=4 48 B9R0.46 C#CCNCCC(=O)NC 2230a_100000738227_100000038162 [0,0,0,0,0,0|2,0,2]=4 49 B9R0.46 C#CCNCCC(=O)NC 34a_100000212058_100012179268 [0,0,0,0,0,0|2,0,2]=4 50 B9R0.46 C#CCNCCC(=O)NC 34a_100000738227_100000184674 [0,0,0,0,0,0|2,0,2]=4 51 B9R0.46 C#CCNCCC(=O)OC 34a_100000212058_100000742370 [0,0,0,0,0,0|2,0,2]=4 52 B9R0.46 C#CCOCCC(=O)CC 1458a_100000210414_100010402529 [0,0,0,0,0,0|1,0,2]=3 53 B9R0.46 C#CCOCCC(=O)CC 1458a_100000693358_100000210202 [0,0,0,0,0,0|1,0,2]=3 54 B9R0.46 C#CCOCCC(=O)CF 1458a_100000693358_100015361967 [0,0,0,0,0,0|2,0,2]=4 55 B9R0.46 C#CCOCCC(=O)CO 1458a_100000210174_100010402529 [0,0,0,0,0,0|2,0,2]=4 56 B9R0.46 C#CCOCCC(=O)NC 11a_106832991635_100000693358 [0,0,0,0,0,0|2,0,2]=4 57 B9R0.46 C#CCOCCC(=O)NC 1626a_100102657272_100000693358 [0,0,0,0,0,0|2,0,2]=4 58 B9R0.46 C#CCOCCC(=O)NC 240690a_100102657272_100000693358 [0,0,0,0,0,0|2,0,2]=4 59 B9R0.46 C#CCOCCC(=O)NC 34a_100000210247_100012179268 [0,0,0,0,0,0|2,0,2]=4 60 B9R0.46 C#CCOCCC(=O)NC 34a_100000754576_100000184674 [0,0,0,0,0,0|2,0,2]=4 61 B9R0.46 C#CCOCCC(=O)NC 527a_100102657272_100000693358 [0,0,0,0,0,0|2,0,2]=4 62 B9R0.46 C#CCOCCC(=O)OC 34a_100000210247_100000742370 [0,0,0,0,0,0|2,0,2]=4 63 B9R0.46 C#CCSCCC(=O)NC 62a_100000038162_100000737683 [0,0,0,0,0,0|2,0,2]=4 64 B9R0.46 C#CCSCCC(=O)OC 62a_100000038162_100000204255 [0,0,0,0,0,0|2,0,2]=4 65 B9R0.46 C/C=C/COCC(=O)CC 34a_100000725409_100102629194 [0,0,0,0,0,0|1,0,2]=3 66 B9R0.46 C/C=C/COCC(=O)NC 34a_100000750040_100102629194 [0,0,0,0,0,0|2,0,2]=4 67 B9R0.46 C/C=C/COCC(=O)NC 34a_100016270725_100000183359 [0,0,0,0,0,0|2,0,2]=4 68 B9R0.46 C/C=C/COCC(=O)OC 34a_100016270725_100000747449 [0,0,0,0,0,0|2,0,2]=4 69 B9R0.46 C/C=C/CSCC(=O)CC 62a_100000747405_100102629194 [0,0,0,0,0,0|1,0,2]=3 70 B9R0.46 C/C=C/CSCC(=O)CC 62a_100102629194_100000747405 [0,0,0,0,0,0|1,0,2]=3 71 B9R0.46 C/C=C/CSCC(=O)NC 62a_100000183359_100102629194 [0,0,0,0,0,0|2,0,2]=4 72 B9R0.46 C/C=C/CSCC(=O)NC 62a_100102629194_100000183359 [0,0,0,0,0,0|2,0,2]=4 73 B9R0.46 C/C=C/CSCC(=O)OC 62a_100000747449_100102629194 [0,0,0,0,0,0|2,0,2]=4 74 B9R0.46 C/C=C/CSCC(=O)OC 62a_100102629194_100000747449 [0,0,0,0,0,0|2,0,2]=4 75 B9R0.46 C=C(C#N)CNCCCC 2230a_100000102301_100000694840 [0,0,0,0,0,0|3,0,1]=4 76 B9R0.46 C=C(C#N)COCCCC 34a_100000210227_100000694840 [0,0,0,0,0,0|3,0,1]=4 77 B9R0.46 C=C(C#N)CSCCCC 62a_100000210211_100000694840 [0,0,0,0,0,0|3,0,1]=4 78 B9R0.46 C=CC(=O)CC/C=C\CC 1458a_100000185746_100015370543 [0,0,0,0,0,0|0,0,4]=4 79 B9R0.46 C=CC(=O)CCCCC#N 1458a_100000185746_100000211819 [0,0,0,0,0,0|1,0,3]=4 80 B9R0.46 C=CC(=O)CCCCCC 1458a_100000185746_100000210757 [0,0,0,0,0,0|0,0,2]=2 81 B9R0.46 C=CC(=O)CCCCCF 1458a_100000185746_100000729378 [0,0,0,0,0,0|1,0,2]=3 82 B9R0.46 C=CC(=O)CCCCCO 1458a_100000185746_100000746330 [0,0,0,0,0,0|1,0,2]=3 83 B9R0.46 C=CC(=O)CCCCOC 1458a_100000185746_100000755781 [0,0,0,0,0,0|1,0,2]=3 84 B9R0.46 C=CC(=O)CCCOCC 1458a_100000185746_100012232248 [0,0,0,0,0,0|1,0,2]=3 85 B9R0.46 C=CC(=O)CCOCCC 1458a_100000185746_100011215938 [0,0,0,0,0,0|1,0,2]=3 86 B9R0.46 C=CC(=O)CCOCCO 1458a_100000185746_100011215305 [0,0,0,0,0,0|2,0,2]=4 87 B9R0.46 C=CC(=O)COCCCC 1458a_100000185746_100011995733 [0,0,0,0,0,0|1,0,2]=3 88 B9R0.46 C=CC(=O)NCCCCC 1626a_100000209983_100000185746 [0,0,0,0,0,0|1,0,2]=3 89 B9R0.46 C=CC(=O)NCCCCC 240690a_100000209983_200121576911 [0,0,0,0,0,0|1,0,2]=3 90 B9R0.46 C=CC(=O)NCCCCO 240690a_100000750430_200121576911 [0,0,0,0,0,0|2,0,2]=4 91 B9R0.46 C=CC(=O)NCCCOC 1626a_100150723488_100000185746 [0,0,0,0,0,0|2,0,2]=4 92 B9R0.46 C=CC(=O)NCCCOC 240690a_100150723488_200121576911 [0,0,0,0,0,0|2,0,2]=4 93 B9R0.46 C=CC(=O)NCCCSC 1626a_100000749238_100000185746 [0,0,0,0,0,0|2,0,2]=4 94 B9R0.46 C=CC(=O)NCCCSC 240690a_100000749238_200121576911 [0,0,0,0,0,0|2,0,2]=4 95 B9R0.46 C=CC(=O)NCCNCC 2230a_114873766552_100000210202 [0,0,0,0,0,0|2,0,2]=4 96 B9R0.46 C=CC(=O)NCCOCC 1626a_102516460346_100000185746 [0,0,0,0,0,0|2,0,2]=4 97 B9R0.46 C=CC(=O)NCCOCC 240690a_100011200944_200121576911 [0,0,0,0,0,0|2,0,2]=4 98 B9R0.46 C=CC(=O)NCCOCC 34a_100011304386_100000210202 [0,0,0,0,0,0|2,0,2]=4 99 B9R0.46 C=CC(=O)NCCSCC 1626a_100000106463_100000185746 [0,0,0,0,0,0|2,0,2]=4 100 B9R0.46 C=CC(=O)NCCSCC 240690a_100000106463_200121576911 [0,0,0,0,0,0|2,0,2]=4 101 B9R0.46 C=CC(=O)NNCCCC 22a_100025702795_100000185746 [0,0,0,0,0,0|2,0,2]=4 102 B9R0.46 C=CC(=O)OCCNCC 2230a_100015525214_100009813456 [0,0,0,0,0,0|2,0,2]=4 103 B9R0.46 C=CC(=O)OCCOCC 34a_100121572206_100009813456 [0,0,0,0,0,0|2,0,2]=4 104 B9R0.46 C=CC(=O)OCCSCC 62a_100000210202_100009813456 [0,0,0,0,0,0|2,0,2]=4 105 B9R0.46 C=CC(=O)OCCSCC 62a_100009813456_100000210202 [0,0,0,0,0,0|2,0,2]=4 106 B9R0.46 C=CCCCCC(=O)C=C 1458a_100000185746_100011215482 [0,0,0,0,0,0|0,0,4]=4 107 B9R0.46 C=CCCCCC(=O)CC 1458a_100000210414_100011215482 [0,0,0,0,0,0|0,0,2]=2 108 B9R0.46 C=CCCCCC(=O)CC 1458a_100011215552_100000210202 [0,0,0,0,0,0|0,0,2]=2 109 B9R0.46 C=CCCCCC(=O)CF 1458a_100011215552_100015361967 [0,0,0,0,0,0|1,0,2]=3 110 B9R0.46 C=CCCCCC(=O)CO 1458a_100000210174_100011215482 [0,0,0,0,0,0|1,0,2]=3 111 B9R0.46 C=CCCCCC(=O)NC 11a_106832991635_100011215552 [0,0,0,0,0,0|1,0,2]=3 112 B9R0.46 C=CCCCCC(=O)NC 1626a_100102657272_100011215552 [0,0,0,0,0,0|1,0,2]=3 113 B9R0.46 C=CCCCCC(=O)NC 240690a_100102657272_100011215552 [0,0,0,0,0,0|1,0,2]=3 114 B9R0.46 C=CCCCCC(=O)NC 527a_100102657272_100011215552 [0,0,0,0,0,0|1,0,2]=3 115 B9R0.46 C=CCCCCN(C)CC 2230a_100000225621_100011215482 [0,0,0,0,0,0|2,0,2]=4 116 B9R0.46 C=CCCCCN(C)CC 2230a_100012000471_100000210202 [0,0,0,0,0,0|2,0,2]=4 117 B9R0.46 C=CCCCCN(C)CC 269982a_100000225621_100011215482 [0,0,0,0,0,0|2,0,2]=4 118 B9R0.46 C=CCCCCN(C)CC 269982a_100012000471_100000204670 [0,0,0,0,0,0|2,0,2]=4 119 B9R0.46 C=CCCCNC(=O)CC 11a_100000700776_100000210414 [0,0,0,0,0,0|1,0,2]=3 120 B9R0.46 C=CCCCNC(=O)CC 1626a_100000700776_100000210414 [0,0,0,0,0,0|1,0,2]=3 121 B9R0.46 C=CCCCNC(=O)CC 240690a_100000700776_100000210414 [0,0,0,0,0,0|1,0,2]=3 122 B9R0.46 C=CCCCNC(=O)CC 527a_100000700776_100000210414 [0,0,0,0,0,0|1,0,2]=3 123 B9R0.46 C=CCCCNC(=O)CO 240690a_100000700776_100000210174 [0,0,0,0,0,0|2,0,2]=4 124 B9R0.46 C=CCCCNC(=O)CO 527a_100000700776_100000210174 [0,0,0,0,0,0|2,0,2]=4 125 B9R0.46 C=CCCCNC(=O)NC 2708a_100000700776_106832991635 [0,0,0,0,0,0|2,0,2]=4 126 B9R0.46 C=CCCCNC(=O)NC 2708a_100102657272_100000700776 [0,0,0,0,0,0|2,0,2]=4 127 B9R0.46 C=CCCCNC(=O)NC 273464a_100000700776_100102657272 [0,0,0,0,0,0|2,0,2]=4 128 B9R0.46 C=CCCCNC(=O)NC 273464a_100102657272_100000700776 [0,0,0,0,0,0|2,0,2]=4 129 B9R0.46 C=CCCCNC(=O)NC 512a_100000700776_100102657272 [0,0,0,0,0,0|2,0,2]=4 130 B9R0.46 C=CCCCNC(=O)NC 512a_106832991638_100000700776 [0,0,0,0,0,0|2,0,2]=4 131 B9R0.46 C=CCCNCC(=O)NC 2230a_100000693194_100000754431 [0,0,0,0,0,0|2,0,2]=4 132 B9R0.46 C=CCCNCC(=O)NC 2230a_100015191253_100000183359 [0,0,0,0,0,0|2,0,2]=4 133 B9R0.46 C=CCCNCC(=O)OC 2230a_100015191253_100000747449 [0,0,0,0,0,0|2,0,2]=4 134 B9R0.46 C=CCCOCC(=O)CC 34a_100000725409_100000754431 [0,0,0,0,0,0|1,0,2]=3 135 B9R0.46 C=CCCOCC(=O)NC 34a_100000750040_100000754431 [0,0,0,0,0,0|2,0,2]=4 136 B9R0.46 C=CCCOCC(=O)NC 34a_100011205117_100000183359 [0,0,0,0,0,0|2,0,2]=4 137 B9R0.46 C=CCCOCC(=O)OC 34a_100011205117_100000747449 [0,0,0,0,0,0|2,0,2]=4 138 B9R0.46 C=CCCSCC(=O)CC 62a_100000747405_100000754431 [0,0,0,0,0,0|1,0,2]=3 139 B9R0.46 C=CCCSCC(=O)CC 62a_100000754431_100000747405 [0,0,0,0,0,0|1,0,2]=3 140 B9R0.46 C=CCCSCC(=O)NC 62a_100000183359_100000754431 [0,0,0,0,0,0|2,0,2]=4 141 B9R0.46 C=CCCSCC(=O)NC 62a_100000754431_100000183359 [0,0,0,0,0,0|2,0,2]=4 142 B9R0.46 C=CCCSCC(=O)OC 62a_100000747449_100000754431 [0,0,0,0,0,0|2,0,2]=4 143 B9R0.46 C=CCCSCC(=O)OC 62a_100000754431_100000747449 [0,0,0,0,0,0|2,0,2]=4 144 B9R0.46 C=CCNCCC(=O)NC 2230a_100000738227_100000210623 [0,0,0,0,0,0|2,0,2]=4 145 B9R0.46 C=CCNCCC(=O)NC 2230a_100020586998_100000737683 [0,0,0,0,0,0|2,0,2]=4 146 B9R0.46 C=CCNCCC(=O)NC 34a_100000738227_100015514636 [0,0,0,0,0,0|2,0,2]=4 147 B9R0.46 C=CCNCCC(=O)OC 2230a_100020586998_100000204255 [0,0,0,0,0,0|2,0,2]=4 148 B9R0.46 C=CCOCCC(=O)CC 1458a_200011217002_100000210202 [0,0,0,0,0,0|1,0,2]=3 149 B9R0.46 C=CCOCCC(=O)CF 1458a_200011217002_100015361967 [0,0,0,0,0,0|2,0,2]=4 150 B9R0.46 C=CCOCCC(=O)NC 11a_106832991635_200011217002 [0,0,0,0,0,0|2,0,2]=4 151 B9R0.46 C=CCOCCC(=O)NC 1626a_100102657272_200011217002 [0,0,0,0,0,0|2,0,2]=4 152 B9R0.46 C=CCOCCC(=O)NC 240690a_100102657272_200011217002 [0,0,0,0,0,0|2,0,2]=4 153 B9R0.46 C=CCOCCC(=O)NC 34a_100000754576_100015514636 [0,0,0,0,0,0|2,0,2]=4 154 B9R0.46 C=CCOCCC(=O)NC 34a_200000210373_100012179268 [0,0,0,0,0,0|2,0,2]=4 155 B9R0.46 C=CCOCCC(=O)NC 527a_100102657272_200011217002 [0,0,0,0,0,0|2,0,2]=4 156 B9R0.46 C=CCOCCC(=O)OC 34a_200000210373_100000742370 [0,0,0,0,0,0|2,0,2]=4 157 B9R0.46 C=CCSCCC(=O)NC 62a_100000210623_100000737683 [0,0,0,0,0,0|2,0,2]=4 158 B9R0.46 C=CCSCCC(=O)NC 62a_100000737683_100000210623 [0,0,0,0,0,0|2,0,2]=4 159 B9R0.46 C=CCSCCC(=O)OC 62a_100000204255_100000210623 [0,0,0,0,0,0|2,0,2]=4 160 B9R0.46 C=CCSCCC(=O)OC 62a_100000210623_100000204255 [0,0,0,0,0,0|2,0,2]=4 161 B9R0.46 CC#CCNCC(=O)NC 2230a_100000685387_100000183359 [0,0,0,0,0,0|2,0,2]=4 162 B9R0.46 CC#CCNCC(=O)NC 2230a_100000693194_100000748600 [0,0,0,0,0,0|2,0,2]=4 163 B9R0.46 CC#CCNCC(=O)NC 34a_100000685387_100000183359 [0,0,0,0,0,0|2,0,2]=4 164 B9R0.46 CC#CCNCC(=O)OC 2230a_100000685387_100000747449 [0,0,0,0,0,0|2,0,2]=4 165 B9R0.46 CC#CCNCC(=O)OC 34a_100000685387_100000747449 [0,0,0,0,0,0|2,0,2]=4 166 B9R0.46 CC#CCOCC(=O)CC 34a_100000725409_100000748600 [0,0,0,0,0,0|1,0,2]=3 167 B9R0.46 CC#CCOCC(=O)NC 34a_100000750040_100000748600 [0,0,0,0,0,0|2,0,2]=4 168 B9R0.46 CC#CCOCC(=O)NC 34a_100000761923_100000183359 [0,0,0,0,0,0|2,0,2]=4 169 B9R0.46 CC#CCOCC(=O)OC 34a_100000761923_100000747449 [0,0,0,0,0,0|2,0,2]=4 170 B9R0.46 CC#CCSCC(=O)CC 62a_100000747405_100000748600 [0,0,0,0,0,0|1,0,2]=3 171 B9R0.46 CC#CCSCC(=O)CC 62a_100000748600_100000747405 [0,0,0,0,0,0|1,0,2]=3 172 B9R0.46 CC#CCSCC(=O)NC 62a_100000183359_100000748600 [0,0,0,0,0,0|2,0,2]=4 173 B9R0.46 CC#CCSCC(=O)NC 62a_100000748600_100000183359 [0,0,0,0,0,0|2,0,2]=4 174 B9R0.46 CC#CCSCC(=O)OC 62a_100000747449_100000748600 [0,0,0,0,0,0|2,0,2]=4 175 B9R0.46 CC#CCSCC(=O)OC 62a_100000748600_100000747449 [0,0,0,0,0,0|2,0,2]=4 176 B9R0.46 CC/C=C\CCC(=O)CC 1458a_100000210414_100015370543 [0,0,0,0,0,0|0,0,2]=2 177 B9R0.46 CC/C=C\CCC(=O)CO 1458a_100000210174_100015370543 [0,0,0,0,0,0|1,0,2]=3 178 B9R0.46 CC/C=C\CCN(C)CC 2230a_100000225621_100015370543 [0,0,0,0,0,0|2,0,2]=4 179 B9R0.46 CC/C=C\CCN(C)CC 269982a_100000225621_100015370543 [0,0,0,0,0,0|2,0,2]=4 180 B9R0.46 CC=CCNCC(=O)NC 2230a_100000693194_100000070051 [0,0,0,0,0,0|2,0,2]=4 181 B9R0.46 CC=CCOCC(=O)CC 34a_100000725409_100000070051 [0,0,0,0,0,0|1,0,2]=3 182 B9R0.46 CC=CCOCC(=O)NC 34a_100000750040_100000070051 [0,0,0,0,0,0|2,0,2]=4 183 B9R0.46 CC=CCSCC(=O)CC 62a_100000070051_100000747405 [0,0,0,0,0,0|1,0,2]=3 184 B9R0.46 CC=CCSCC(=O)CC 62a_100000747405_100000070051 [0,0,0,0,0,0|1,0,2]=3 185 B9R0.46 CC=CCSCC(=O)NC 62a_100000070051_100000183359 [0,0,0,0,0,0|2,0,2]=4 186 B9R0.46 CC=CCSCC(=O)NC 62a_100000183359_100000070051 [0,0,0,0,0,0|2,0,2]=4 187 B9R0.46 CC=CCSCC(=O)OC 62a_100000070051_100000747449 [0,0,0,0,0,0|2,0,2]=4 188 B9R0.46 CC=CCSCC(=O)OC 62a_100000747449_100000070051 [0,0,0,0,0,0|2,0,2]=4 189 B9R0.46 CCC(=O)CCCCC#N 1458a_100000210414_100000211819 [0,0,0,0,0,0|1,0,1]=2 190 B9R0.46 CCC(=O)CCCCCF 1458a_100000210414_100000729378 [0,0,0,0,0,0|1,0,0]=1 191 B9R0.46 CCC(=O)CCCCCO 1458a_100000210414_100000746330 [0,0,0,0,0,0|1,0,0]=1 192 B9R0.46 CCC(=O)CCCCCO 1458a_100102619762_100000210202 [0,0,0,0,0,0|1,0,0]=1 193 B9R0.46 CCC(=O)CCCCOC 1458a_100000210414_100000755781 [0,0,0,0,0,0|1,0,0]=1 194 B9R0.46 CCC(=O)CCCN=[N+]=[N-] 1458a_100010262590_100000210202 [0,0,0,0,0,0|3,0,0]=3 195 B9R0.46 CCC(=O)CCOCC#N 1458a_100000210414_200000047693 [0,0,0,0,0,0|2,0,1]=3 196 B9R0.46 CCC(=O)CCOCCO 1458a_100000210414_100011215305 [0,0,0,0,0,0|2,0,0]=2 197 B9R0.46 CCC(=O)CCOCCO 1458a_100011229844_100000210202 [0,0,0,0,0,0|2,0,0]=2 198 B9R0.46 CCC(=O)COCCCF 34a_100000725409_100011934791 [0,0,0,0,0,0|2,0,0]=2 199 B9R0.46 CCC(=O)COCCCO 34a_100000725409_100000230001 [0,0,0,0,0,0|2,0,0]=2 200 B9R0.46 CCC(=O)COCCOC 1458a_100000211095_100000210202 [0,0,0,0,0,0|2,0,0]=2 201 B9R0.46 CCC(=O)COCCOC 34a_100000725409_100011201679 [0,0,0,0,0,0|2,0,0]=2 202 B9R0.46 CCC(=O)COCCSC 34a_100000725409_100000212216 [0,0,0,0,0,0|2,0,0]=2 203 B9R0.46 CCC(=O)COCCSC 7a_100000230434_100000747405 [0,0,0,0,0,0|2,0,0]=2 204 B9R0.46 CCC(=O)CSCCC#N 62a_100000747405_100011215226 [0,0,0,0,0,0|2,0,1]=3 205 B9R0.46 CCC(=O)CSCCC#N 62a_100011215226_100000747405 [0,0,0,0,0,0|2,0,1]=3 206 B9R0.46 CCC(=O)CSCCCF 62a_100000747405_100011934791 [0,0,0,0,0,0|2,0,0]=2 207 B9R0.46 CCC(=O)CSCCCF 62a_100011934791_100000747405 [0,0,0,0,0,0|2,0,0]=2 208 B9R0.46 CCC(=O)CSCCCO 62a_100000747405_100011215043 [0,0,0,0,0,0|2,0,0]=2 209 B9R0.46 CCC(=O)CSCCCO 62a_100011215043_100000747405 [0,0,0,0,0,0|2,0,0]=2 210 B9R0.46 CCC(=O)CSCCOC 62a_100000233755_100000747405 [0,0,0,0,0,0|2,0,0]=2 211 B9R0.46 CCC(=O)CSCCOC 62a_100000747405_100000233755 [0,0,0,0,0,0|2,0,0]=2 212 B9R0.46 CCC(=O)CSCCSC 62a_100000212216_100000747405 [0,0,0,0,0,0|2,0,0]=2 213 B9R0.46 CCC(=O)CSCCSC 62a_100000747405_100000751147 [0,0,0,0,0,0|2,0,0]=2 214 B9R0.46 CCC(=O)CSCSC#N 62a_100000211825_100000747405 [0,0,0,0,0,0|3,0,1]=4 215 B9R0.46 CCC(=O)CSCSC#N 62a_100000747405_100000211825 [0,0,0,0,0,0|3,0,1]=4 216 B9R0.46 CCC(=O)NCCCCO 240690a_100000750430_100000210414 [0,0,0,0,0,0|2,0,0]=2 217 B9R0.46 CCC(=O)NCCCCO 527a_100000750430_100000210414 [0,0,0,0,0,0|2,0,0]=2 218 B9R0.46 CCC(=O)NCCCOC 1626a_100150723488_100000210414 [0,0,0,0,0,0|2,0,0]=2 219 B9R0.46 CCC(=O)NCCCOC 240690a_100150723488_100000210414 [0,0,0,0,0,0|2,0,0]=2 220 B9R0.46 CCC(=O)NCCCOC 527a_100150723488_100000210414 [0,0,0,0,0,0|2,0,0]=2 221 B9R0.46 CCC(=O)NCCCSC 11a_100000749238_100000210414 [0,0,0,0,0,0|2,0,0]=2 222 B9R0.46 CCC(=O)NCCCSC 1626a_100000749238_100000210414 [0,0,0,0,0,0|2,0,0]=2 223 B9R0.46 CCC(=O)NCCCSC 240690a_100000749238_100000210414 [0,0,0,0,0,0|2,0,0]=2 224 B9R0.46 CCC(=O)NCCCSC 527a_100000749238_100000210414 [0,0,0,0,0,0|2,0,0]=2 225 B9R0.46 CCC(=O)NCCNCF 34a_100132302217_100015361967 [0,0,0,0,0,0|3,0,0]=3 226 B9R0.46 CCC(=O)NCCOCF 34a_200000158885_100015361967 [0,0,0,0,0,0|3,0,0]=3 227 B9R0.46 CCC(=O)NCCOCF 7a_200000158885_100015361967 [0,0,0,0,0,0|3,0,0]=3 228 B9R0.46 CCC(=O)NNCCC#N 22a_100000229987_100000210414 [0,0,0,0,0,0|3,0,1]=4 229 B9R0.46 CCC(=O)NNCCOC 22a_100000741390_100000210414 [0,0,0,0,0,0|3,0,0]=3 230 B9R0.46 CCC(=O)OCCOCF 7a_200000031056_100015361967 [0,0,0,0,0,0|3,0,0]=3 231 B9R0.46 CCC(C)CCCOCF 7a_100011216074_100015361967 [0,0,0,0,0,0|3,0,1]=4 232 B9R0.46 CCC(C)CCNCCF 2230a_100020591266_100011217306 [0,0,0,0,0,0|3,0,1]=4 233 B9R0.46 CCC(C)CCNCCO 2230a_100020591266_100000211926 [0,0,0,0,0,0|3,0,1]=4 234 B9R0.46 CCC(C)CCNCOC 2230a_100020591266_100000766300 [0,0,0,0,0,0|3,0,1]=4 235 B9R0.46 CCC(C)CCNCSC 2230a_100020591266_100011218213 [0,0,0,0,0,0|3,0,1]=4 236 B9R0.46 CCC(C)CCOCCF 7a_100011215188_100011217306 [0,0,0,0,0,0|3,0,1]=4 237 B9R0.46 CCC(C)CCOCCO 7a_100011215188_100000211926 [0,0,0,0,0,0|3,0,1]=4 238 B9R0.46 CCC(C)CNCCCF 2230a_100015189416_100000748023 [0,0,0,0,0,0|3,0,1]=4 239 B9R0.46 CCC(C)CNCCCF 2230a_100020588543_100011934791 [0,0,0,0,0,0|3,0,1]=4 240 B9R0.46 CCC(C)CNCCCF 270004a_100015189416_100000243153 [0,0,0,0,0,0|3,0,1]=4 241 B9R0.46 CCC(C)CNCCCF 34a_100015189416_100000748023 [0,0,0,0,0,0|3,0,1]=4 242 B9R0.46 CCC(C)CNCCCO 2230a_100020588543_100000230001 [0,0,0,0,0,0|3,0,1]=4 243 B9R0.46 CCC(C)CNCCCO 270004a_100000182051_100000243153 [0,0,0,0,0,0|3,0,1]=4 244 B9R0.46 CCC(C)CNCCOC 2230a_100000209980_100000748023 [0,0,0,0,0,0|3,0,1]=4 245 B9R0.46 CCC(C)CNCCOC 2230a_100020588543_100011201679 [0,0,0,0,0,0|3,0,1]=4 246 B9R0.46 CCC(C)CNCCOC 270004a_100000209980_100000243153 [0,0,0,0,0,0|3,0,1]=4 247 B9R0.46 CCC(C)CNCCSC 2230a_100020588543_100000751147 [0,0,0,0,0,0|3,0,1]=4 248 B9R0.46 CCC(C)CNCCSC 2230a_100020590264_100000748023 [0,0,0,0,0,0|3,0,1]=4 249 B9R0.46 CCC(C)CNCCSC 270004a_100020590264_100000243153 [0,0,0,0,0,0|3,0,1]=4 250 B9R0.46 CCC(C)COCCCBr 34a_100011217188_100000748023 [0,0,0,0,0,0|3,0,1]=4 251 B9R0.46 CCC(C)COCCCCl 34a_100000230001_100000748023 [0,0,0,0,0,0|3,0,1]=4 252 B9R0.46 CCC(C)COCCCF 34a_100000759539_100000748023 [0,0,0,0,0,0|3,0,1]=4 253 B9R0.46 CCC(C)COCCCN 34a_100000182051_100000748023 [0,0,0,0,0,0|3,0,1]=4 254 B9R0.46 CCC(C)COCCOC 34a_100000210237_100000748023 [0,0,0,0,0,0|3,0,1]=4 255 B9R0.46 CCC(C)COCCSC 34a_100000230434_100000748023 [0,0,0,0,0,0|3,0,1]=4 256 B9R0.46 CCC(C)COCCSC 7a_100000230434_100000748023 [0,0,0,0,0,0|3,0,1]=4 257 B9R0.46 CCC(C)CSCCCF 62a_100000748023_100011934791 [0,0,0,0,0,0|3,0,1]=4 258 B9R0.46 CCC(C)CSCCCF 62a_100011934791_100000748023 [0,0,0,0,0,0|3,0,1]=4 259 B9R0.46 CCC(C)CSCCCO 62a_100000748023_100011215043 [0,0,0,0,0,0|3,0,1]=4 260 B9R0.46 CCC(C)CSCCCO 62a_100011215043_100000748023 [0,0,0,0,0,0|3,0,1]=4 261 B9R0.46 CCC(C)CSCCOC 62a_100000233755_100000748023 [0,0,0,0,0,0|3,0,1]=4 262 B9R0.46 CCC(C)CSCCOC 62a_100000748023_100000233755 [0,0,0,0,0,0|3,0,1]=4 263 B9R0.46 CCC(C)CSCCSC 62a_100000212216_100000748023 [0,0,0,0,0,0|3,0,1]=4 264 B9R0.46 CCC(C)CSCCSC 62a_100000748023_100000751147 [0,0,0,0,0,0|3,0,1]=4 265 B9R0.46 CCC(C)NCCCCF 2230a_100000209981_100000729493 [0,0,0,0,0,0|3,0,1]=4 266 B9R0.46 CCC(C)NCCCCO 2230a_100000209981_100000210776 [0,0,0,0,0,0|3,0,1]=4 267 B9R0.46 CCC(C)NCCCCO 2230a_100000750430_100000758301 [0,0,0,0,0,0|3,0,1]=4 268 B9R0.46 CCC(C)NCCCCO 34a_100000750430_100011215416 [0,0,0,0,0,0|3,0,1]=4 269 B9R0.46 CCC(C)NCCCOC 2230a_100000209981_100000740836 [0,0,0,0,0,0|3,0,1]=4 270 B9R0.46 CCC(C)NCCCOC 34a_100150723488_100011215416 [0,0,0,0,0,0|3,0,1]=4 271 B9R0.46 CCC(C)NCCCSC 2230a_100000749238_100000758301 [0,0,0,0,0,0|3,0,1]=4 272 B9R0.46 CCC(C)OCCCCBr 34a_100011216708_100011215416 [0,0,0,0,0,0|3,0,1]=4 273 B9R0.46 CCC(C)OCCCCCl 34a_100000210776_100011215416 [0,0,0,0,0,0|3,0,1]=4 274 B9R0.46 CCC(C)OCCCCCl 7a_100000210776_100000758301 [0,0,0,0,0,0|3,0,1]=4 275 B9R0.46 CCC(C)OCCCCF 34a_100011995726_100011215416 [0,0,0,0,0,0|3,0,1]=4 276 B9R0.46 CCC(C)OCCCCF 7a_100000210228_100000729493 [0,0,0,0,0,0|3,0,1]=4 277 B9R0.46 CCC(C)OCCCCF 7a_100011995726_100000758301 [0,0,0,0,0,0|3,0,1]=4 278 B9R0.46 CCC(C)OCCCCI 34a_200012148704_100011215416 [0,0,0,0,0,0|3,0,1]=4 279 B9R0.46 CCC(C)OCCCCN 34a_100000750430_100011215416 [0,0,0,0,0,0|3,0,1]=4 280 B9R0.46 CCC(C)OCCCCO 7a_100000210228_100000210776 [0,0,0,0,0,0|3,0,1]=4 281 B9R0.46 CCC(C)OCCCNC 34a_100000213112_100011215416 [0,0,0,0,0,0|3,0,1]=4 282 B9R0.46 CCC(C)OCCCOC 34a_100000740835_100011215416 [0,0,0,0,0,0|3,0,1]=4 283 B9R0.46 CCC(C)OCCCOC 7a_100000210228_100000740836 [0,0,0,0,0,0|3,0,1]=4 284 B9R0.46 CCC(C)OCCCSC 34a_100000690336_100011215416 [0,0,0,0,0,0|3,0,1]=4 285 B9R0.46 CCC(C)OCCCSC 7a_100000690336_100000758301 [0,0,0,0,0,0|3,0,1]=4 286 B9R0.46 CCC(C)SCCCCF 62a_100000729493_100000758301 [0,0,0,0,0,0|3,0,1]=4 287 B9R0.46 CCC(C)SCCCCF 62a_100000758301_100000729493 [0,0,0,0,0,0|3,0,1]=4 288 B9R0.46 CCC(C)SCCCCO 62a_100000210776_100000758301 [0,0,0,0,0,0|3,0,1]=4 289 B9R0.46 CCC(C)SCCCCO 62a_100000758301_100000210776 [0,0,0,0,0,0|3,0,1]=4 290 B9R0.46 CCC(C)SCCCOC 62a_100000709357_100000758301 [0,0,0,0,0,0|3,0,1]=4 291 B9R0.46 CCC(C)SCCCOC 62a_100000758301_100000709357 [0,0,0,0,0,0|3,0,1]=4 292 B9R0.46 CCC(O)CNCCCF 2230a_100011218483_100011934791 [0,0,0,0,0,0|2,0,2]=4 293 B9R0.46 CCC(O)CNCCCF 2230a_100015189416_100011218378 [0,0,0,0,0,0|2,0,2]=4 294 B9R0.46 CCC(O)CNCCCF 34a_100015189416_100011218378 [0,0,0,0,0,0|2,0,2]=4 295 B9R0.46 CCC(O)CNCCCO 2230a_100011218483_100000230001 [0,0,0,0,0,0|2,0,2]=4 296 B9R0.46 CCC(O)CNCCOC 2230a_100000209980_100011218378 [0,0,0,0,0,0|2,0,2]=4 297 B9R0.46 CCC(O)CNCCOC 2230a_100011218483_100011201679 [0,0,0,0,0,0|2,0,2]=4 298 B9R0.46 CCC(O)CNCCSC 2230a_100011218483_100000751147 [0,0,0,0,0,0|2,0,2]=4 299 B9R0.46 CCC(O)CNCCSC 2230a_100020590264_100011218378 [0,0,0,0,0,0|2,0,2]=4 300 B9R0.46 CCC(O)COCCCBr 34a_100011217188_100011218378 [0,0,0,0,0,0|2,0,2]=4 301 B9R0.46 CCC(O)COCCCCl 34a_100000230001_100011218378 [0,0,0,0,0,0|2,0,2]=4 302 B9R0.46 CCC(O)COCCCF 34a_100000759539_100011218378 [0,0,0,0,0,0|2,0,2]=4 303 B9R0.46 CCC(O)COCCCN 34a_100000182051_100011218378 [0,0,0,0,0,0|2,0,2]=4 304 B9R0.46 CCC(O)COCCOC 34a_100000210237_100011218378 [0,0,0,0,0,0|2,0,2]=4 305 B9R0.46 CCC(O)COCCSC 34a_100000230434_100011218378 [0,0,0,0,0,0|2,0,2]=4 306 B9R0.46 CCC(O)COCCSC 7a_100000230434_100011218378 [0,0,0,0,0,0|2,0,2]=4 307 B9R0.46 CCC(O)CSCCCF 62a_100011218378_100011934791 [0,0,0,0,0,0|2,0,2]=4 308 B9R0.46 CCC(O)CSCCCF 62a_100011934791_100011218378 [0,0,0,0,0,0|2,0,2]=4 309 B9R0.46 CCC(O)CSCCCO 62a_100011215043_100011218378 [0,0,0,0,0,0|2,0,2]=4 310 B9R0.46 CCC(O)CSCCCO 62a_100011218378_100011215043 [0,0,0,0,0,0|2,0,2]=4 311 B9R0.46 CCC(O)CSCCOC 62a_100000233755_100011218378 [0,0,0,0,0,0|2,0,2]=4 312 B9R0.46 CCC(O)CSCCOC 62a_100011218378_100000233755 [0,0,0,0,0,0|2,0,2]=4 313 B9R0.46 CCC(O)CSCCSC 62a_100000212216_100011218378 [0,0,0,0,0,0|2,0,2]=4 314 B9R0.46 CCC(O)CSCCSC 62a_100011218378_100000751147 [0,0,0,0,0,0|2,0,2]=4 315 B9R0.46 CCC/C=C/CC(=O)CC 1458a_200016266809_100000210202 [0,0,0,0,0,0|0,0,2]=2 316 B9R0.46 CCC/C=C/CC(=O)CF 1458a_200016266809_100015361967 [0,0,0,0,0,0|1,0,2]=3 317 B9R0.46 CCC/C=C/CC(=O)NC 11a_106832991635_200016266809 [0,0,0,0,0,0|1,0,2]=3 318 B9R0.46 CCC/C=C/CC(=O)NC 1626a_100102657272_200016266809 [0,0,0,0,0,0|1,0,2]=3 319 B9R0.46 CCC/C=C/CC(=O)NC 240690a_100102657272_200016266809 [0,0,0,0,0,0|1,0,2]=3 320 B9R0.46 CCC/C=C/CC(=O)NC 527a_100102657272_200016266809 [0,0,0,0,0,0|1,0,2]=3 321 B9R0.46 CCCC=NNC(=O)CC 4a_100000183195_100000185831 [0,0,0,0,0,0|2,0,1]=3 322 B9R0.46 CCCCC=CC(=O)CC 1458a_100016266645_100000210202 [0,0,0,0,0,0|0,0,2]=2 323 B9R0.46 CCCCC=CC(=O)CF 1458a_100016266645_100015361967 [0,0,0,0,0,0|1,0,2]=3 324 B9R0.46 CCCCC=CC(=O)NC 11a_106832991635_100016266645 [0,0,0,0,0,0|1,0,2]=3 325 B9R0.46 CCCCC=CC(=O)NC 1626a_100102657272_100016266645 [0,0,0,0,0,0|1,0,2]=3 326 B9R0.46 CCCCC=CC(=O)NC 240690a_100102657272_100016266645 [0,0,0,0,0,0|1,0,2]=3 327 B9R0.46 CCCCCCC(=O)CC 1458a_100000210414_100000210757 [0,0,0,0,0,0|0,0,0]=0 328 B9R0.46 CCCCCCC(=O)CC 1458a_100102632555_100000210202 [0,0,0,0,0,0|0,0,0]=0 329 B9R0.46 CCCCCCC(=O)CF 1458a_100102632555_100015361967 [0,0,0,0,0,0|1,0,0]=1 330 B9R0.46 CCCCCCC(=O)CO 1458a_100000210174_100000210757 [0,0,0,0,0,0|1,0,0]=1 331 B9R0.46 CCCCCCC(=O)NC 11a_106832991635_100102632555 [0,0,0,0,0,0|1,0,0]=1 332 B9R0.46 CCCCCCC(=O)NC 1626a_100102657272_100102632555 [0,0,0,0,0,0|1,0,0]=1 333 B9R0.46 CCCCCCC(=O)NC 240690a_100102657272_100102632555 [0,0,0,0,0,0|1,0,0]=1 334 B9R0.46 CCCCCCC(=O)NC 527a_100102657272_100102632555 [0,0,0,0,0,0|1,0,0]=1 335 B9R0.46 CCCCCCC(C)NC 2230a_100000210919_200000210301 [0,0,0,0,0,0|2,0,1]=3 336 B9R0.46 CCCCCCC(C)NC 2230a_106832991635_100011215978 [0,0,0,0,0,0|2,0,1]=3 337 B9R0.46 CCCCCCC(C)NC 270004a_106832991635_100000210826 [0,0,0,0,0,0|2,0,1]=3 338 B9R0.46 CCCCCCC(C)NC 34a_100000210919_200000210301 [0,0,0,0,0,0|2,0,1]=3 339 B9R0.46 CCCCCCC(C)NC 34a_100102657272_100011215978 [0,0,0,0,0,0|2,0,1]=3 340 B9R0.46 CCCCCCC(C)NC 7a_106832991635_100011215978 [0,0,0,0,0,0|2,0,1]=3 341 B9R0.46 CCCCCCC(C)N[13CH3] 2230a_100000210919_200025704644 [0,0,0,0,0,0|2,0,1]=3 342 B9R0.46 CCCCCCC(C)N[13CH3] 34a_100000210919_200025704644 [0,0,0,0,0,0|2,0,1]=3 343 B9R0.46 CCCCCCC(C)OC 34a_100000210265_200000210301 [0,0,0,0,0,0|2,0,1]=3 344 B9R0.46 CCCCCCC(C)OC 34a_100138415774_100011215978 [0,0,0,0,0,0|2,0,1]=3 345 B9R0.46 CCCCCCC(C)OC 7a_100000210265_200000210301 [0,0,0,0,0,0|2,0,1]=3 346 B9R0.46 CCCCCCC(C)O[13CH3] 34a_100000210265_200025704644 [0,0,0,0,0,0|2,0,1]=3 347 B9R0.46 CCCCCCC(C)O[13CH3] 7a_100000210265_200025704644 [0,0,0,0,0,0|2,0,1]=3 348 B9R0.46 CCCCCCC(C)SC 62a_100011215978_200000210301 [0,0,0,0,0,0|2,0,1]=3 349 B9R0.46 CCCCCCC(C)SC 62a_200000210301_100011215978 [0,0,0,0,0,0|2,0,1]=3 350 B9R0.46 CCCCCCC(C)S[13CH3] 62a_100011215978_200025704644 [0,0,0,0,0,0|2,0,1]=3 351 B9R0.46 CCCCCCC(C)S[13CH3] 62a_200025704644_100011215978 [0,0,0,0,0,0|2,0,1]=3 352 B9R0.46 CCCCCCN(C)CC 2230a_100000225621_100000210314 [0,0,0,0,0,0|2,0,0]=2 353 B9R0.46 CCCCCCN(C)CC 2230a_106256046315_100000210202 [0,0,0,0,0,0|2,0,0]=2 354 B9R0.46 CCCCCCN(C)CC 269982a_100000225621_100000210757 [0,0,0,0,0,0|2,0,0]=2 355 B9R0.46 CCCCCCN(C)CC 269982a_106256046315_100000204670 [0,0,0,0,0,0|2,0,0]=2 356 B9R0.46 CCCCCCN(C)CF 269982a_106256046315_100015361967 [0,0,0,0,0,0|3,0,0]=3 357 B9R0.46 CCCCCNC(=O)CC 11a_100000209983_100000210414 [0,0,0,0,0,0|1,0,0]=1 358 B9R0.46 CCCCCNC(=O)CC 1626a_100000209983_100000210414 [0,0,0,0,0,0|1,0,0]=1 359 B9R0.46 CCCCCNC(=O)CC 240690a_100000209983_100000210414 [0,0,0,0,0,0|1,0,0]=1 360 B9R0.46 CCCCCNC(=O)CC 527a_100000209983_100000210414 [0,0,0,0,0,0|1,0,0]=1 361 B9R0.46 CCCCCNC(=O)CO 240690a_100000209983_100000210174 [0,0,0,0,0,0|2,0,0]=2 362 B9R0.46 CCCCCNC(=O)CO 527a_100000209983_100000210174 [0,0,0,0,0,0|2,0,0]=2 363 B9R0.46 CCCCCNC(=O)NC 2708a_100000209983_106832991635 [0,0,0,0,0,0|2,0,0]=2 364 B9R0.46 CCCCCNC(=O)NC 2708a_100102657272_100000209983 [0,0,0,0,0,0|2,0,0]=2 365 B9R0.46 CCCCCNC(=O)NC 273464a_100000209983_100102657272 [0,0,0,0,0,0|2,0,0]=2 366 B9R0.46 CCCCCNC(=O)NC 273464a_100102657272_100000209983 [0,0,0,0,0,0|2,0,0]=2 367 B9R0.46 CCCCCNC(=O)NC 512a_100000209983_100102657272 [0,0,0,0,0,0|2,0,0]=2 368 B9R0.46 CCCCCNC(=O)NC 512a_106832991638_100000209983 [0,0,0,0,0,0|2,0,0]=2 369 B9R0.46 CCCCCNC(C)CC 2230a_100000209981_100000210326 [0,0,0,0,0,0|2,0,1]=3 370 B9R0.46 CCCCCNC(C)CC 2230a_100000209983_100000758301 [0,0,0,0,0,0|2,0,1]=3 371 B9R0.46 CCCCCNC(C)CO 2230a_100000209983_100012180447 [0,0,0,0,0,0|3,0,1]=4 372 B9R0.46 CCCCCN[C@H](C)CO 2230a_100000737577_100000210326 [0,0,0,0,0,0|3,0,1]=4 373 B9R0.46 CCCCCOC(C)CC 34a_100000210253_100011215416 [0,0,0,0,0,0|2,0,1]=3 374 B9R0.46 CCCCCOC(C)CC 7a_100000210228_100000210326 [0,0,0,0,0,0|2,0,1]=3 375 B9R0.46 CCCCCOC(C)CC 7a_100000210253_100000758301 [0,0,0,0,0,0|2,0,1]=3 376 B9R0.46 CCCCCOC(C)CF 34a_100016041109_100000718602 [0,0,0,0,0,0|3,0,1]=4 377 B9R0.46 CCCCCOC(C)CF 7a_100016041109_100000210326 [0,0,0,0,0,0|3,0,1]=4 378 B9R0.46 CCCCCOC(C)CN 34a_100000210904_100000718602 [0,0,0,0,0,0|3,0,1]=4 379 B9R0.46 CCCCCOC(C)CO 34a_100000210253_100012180447 [0,0,0,0,0,0|3,0,1]=4 380 B9R0.46 CCCCCOC(C)CO 7a_100000210253_100012180447 [0,0,0,0,0,0|3,0,1]=4 381 B9R0.46 CCCCCSC(C)CC 62a_100000210326_100000758301 [0,0,0,0,0,0|2,0,1]=3 382 B9R0.46 CCCCCSC(C)CC 62a_100000758301_100000210326 [0,0,0,0,0,0|2,0,1]=3 383 B9R0.46 CCCCCSC(C)CO 62a_100012180447_100000210326 [0,0,0,0,0,0|3,0,1]=4 384 B9R0.46 CCCCCSC(C)OC 62a_100000210326_100009879195 [0,0,0,0,0,0|3,0,1]=4 385 B9R0.46 CCCCCSC(C)OC 62a_100009879195_100000210326 [0,0,0,0,0,0|3,0,1]=4 386 B9R0.46 CCCCCS[C@H](C)CO 62a_100000210326_100016084084 [0,0,0,0,0,0|3,0,1]=4 387 B9R0.46 CCCCCS[C@H](C)CO 62a_100016084084_100000210326 [0,0,0,0,0,0|3,0,1]=4 388 B9R0.46 CCCCNCC(=O)CC 7a_106832991798_100000747405 [0,0,0,0,0,0|1,0,0]=1 389 B9R0.46 CCCCNCC(=O)NC 2230a_100000102301_100000183359 [0,0,0,0,0,0|2,0,0]=2 390 B9R0.46 CCCCNCC(=O)NC 2230a_100000693194_100000210211 [0,0,0,0,0,0|2,0,0]=2 391 B9R0.46 CCCCNCC(=O)NC 7a_106832991798_100000183359 [0,0,0,0,0,0|2,0,0]=2 392 B9R0.46 CCCCNCC(=O)OC 2230a_100000102301_100000747449 [0,0,0,0,0,0|2,0,0]=2 393 B9R0.46 CCCCNCC(=O)OC 7a_106832991798_100000747449 [0,0,0,0,0,0|2,0,0]=2 394 B9R0.46 CCCCNCC(C)CC 2230a_100000102301_100000748023 [0,0,0,0,0,0|2,0,1]=3 395 B9R0.46 CCCCNCC(C)CC 2230a_100020588543_100000210211 [0,0,0,0,0,0|2,0,1]=3 396 B9R0.46 CCCCNCC(C)CC 270004a_100000102301_100000243153 [0,0,0,0,0,0|2,0,1]=3 397 B9R0.46 CCCCNCC(C)CC 7a_106832991798_100000748023 [0,0,0,0,0,0|2,0,1]=3 398 B9R0.46 CCCCNCC(C)CO 34a_100000744482_100000210210 [0,0,0,0,0,0|3,0,1]=4 399 B9R0.46 CCCCNCC(O)CC 2230a_100000102301_100011218378 [0,0,0,0,0,0|1,0,2]=3 400 B9R0.46 CCCCNCC(O)CC 2230a_100011218483_100000210211 [0,0,0,0,0,0|1,0,2]=3 401 B9R0.46 CCCCNCC(O)CC 7a_106832991798_100011218378 [0,0,0,0,0,0|1,0,2]=3 402 B9R0.46 CCCCNCC(O)CO 2230a_100000102301_100011219619 [0,0,0,0,0,0|2,0,2]=4 403 B9R0.46 CCCCNCC(O)CO 7a_106832991798_100011219619 [0,0,0,0,0,0|2,0,2]=4 404 B9R0.46 CCCCNC[C@@H](C)CC 2230a_100000102301_100009816398 [0,0,0,0,0,0|2,0,1]=3 405 B9R0.46 CCCCNC[C@@H](C)CC 7a_106832991798_100009816398 [0,0,0,0,0,0|2,0,1]=3 406 B9R0.46 CCCCNC[C@@H](C)CO 2230a_100000102301_100000059175 [0,0,0,0,0,0|3,0,1]=4 407 B9R0.46 CCCCNC[C@@H](C)CO 7a_106832991798_100000059175 [0,0,0,0,0,0|3,0,1]=4 408 B9R0.46 CCCCNC[C@@H](C)OC 2230a_100020591295_100000210211 [0,0,0,0,0,0|3,0,1]=4 409 B9R0.46 CCCCNC[C@@H](F)CO 34a_100015665980_100000210210 [0,0,0,0,0,0|3,0,1]=4 410 B9R0.46 CCCCNC[C@@H](O)CF 2230a_100000102301_100015614560 [0,0,0,0,0,0|2,0,2]=4 411 B9R0.46 CCCCNC[C@@H](O)CF 7a_106832991798_100015614560 [0,0,0,0,0,0|2,0,2]=4 412 B9R0.46 CCCCNC[C@@H](O)CO 2230a_100000102301_100009815848 [0,0,0,0,0,0|2,0,2]=4 413 B9R0.46 CCCCNC[C@@H](O)CO 7a_106832991798_100009815848 [0,0,0,0,0,0|2,0,2]=4 414 B9R0.46 CCCCNC[C@H](O)CO 2230a_100020644852_100000210211 [0,0,0,0,0,0|2,0,2]=4 415 B9R0.46 CCCCNN=C(C)CF 4a_100025702795_100000039719 [0,0,0,0,0,0|4,0,0]=4 416 B9R0.46 CCCCNN=C(C)CO 4a_100025702795_100000211253 [0,0,0,0,0,0|4,0,0]=4 417 B9R0.46 CCCCNNC(=O)CC 22a_100025702795_100000210414 [0,0,0,0,0,0|2,0,0]=2 418 B9R0.46 CCCCNNC(=O)CO 22a_100025702795_100000210174 [0,0,0,0,0,0|3,0,0]=3 419 B9R0.46 CCCCNNC(=O)NC 273464a_100102657272_100025702795 [0,0,0,0,0,0|3,0,0]=3 420 B9R0.46 CCCCNNC(=O)NC 512a_100025702795_100102657272 [0,0,0,0,0,0|3,0,0]=3 421 B9R0.46 CCCCNNC(=O)NC 512a_106832991638_100025702795 [0,0,0,0,0,0|3,0,0]=3 422 B9R0.46 CCCCOCC(=O)CC 1458a_100000210414_100011995733 [0,0,0,0,0,0|1,0,0]=1 423 B9R0.46 CCCCOCC(=O)CC 1458a_100000757543_100000210202 [0,0,0,0,0,0|1,0,0]=1 424 B9R0.46 CCCCOCC(=O)CC 34a_100000725409_100000210210 [0,0,0,0,0,0|1,0,0]=1 425 B9R0.46 CCCCOCC(=O)CC 7a_100000210227_100000747405 [0,0,0,0,0,0|1,0,0]=1 426 B9R0.46 CCCCOCC(=O)CF 1458a_100000757543_100015361967 [0,0,0,0,0,0|2,0,0]=2 427 B9R0.46 CCCCOCC(=O)CO 1458a_100000210174_100011995733 [0,0,0,0,0,0|2,0,0]=2 428 B9R0.46 CCCCOCC(=O)NC 11a_106832991635_100000757543 [0,0,0,0,0,0|2,0,0]=2 429 B9R0.46 CCCCOCC(=O)NC 1626a_100102657272_100000757543 [0,0,0,0,0,0|2,0,0]=2 430 B9R0.46 CCCCOCC(=O)NC 240690a_100102657272_100000757543 [0,0,0,0,0,0|2,0,0]=2 431 B9R0.46 CCCCOCC(=O)NC 34a_100000210227_100000183359 [0,0,0,0,0,0|2,0,0]=2 432 B9R0.46 CCCCOCC(=O)NC 34a_100000750040_100000210210 [0,0,0,0,0,0|2,0,0]=2 433 B9R0.46 CCCCOCC(=O)NC 527a_100102657272_100000757543 [0,0,0,0,0,0|2,0,0]=2 434 B9R0.46 CCCCOCC(=O)NC 7a_100000210227_100000183359 [0,0,0,0,0,0|2,0,0]=2 435 B9R0.46 CCCCOCC(=O)OC 34a_100000210227_100000747449 [0,0,0,0,0,0|2,0,0]=2 436 B9R0.46 CCCCOCC(=O)OC 7a_100000210227_100000747449 [0,0,0,0,0,0|2,0,0]=2 437 B9R0.46 CCCCOCC(C)CC 34a_100000210227_100000748023 [0,0,0,0,0,0|2,0,1]=3 438 B9R0.46 CCCCOCC(C)CC 7a_100000210227_100000748023 [0,0,0,0,0,0|2,0,1]=3 439 B9R0.46 CCCCOCC(C)CN 34a_100000744482_100000210210 [0,0,0,0,0,0|3,0,1]=4 440 B9R0.46 CCCCOCC(C)OC 34a_100000690652_100000210210 [0,0,0,0,0,0|3,0,1]=4 441 B9R0.46 CCCCOCC(C)OC 34a_100011217071_200000210301 [0,0,0,0,0,0|3,0,1]=4 442 B9R0.46 CCCCOCC(C)OC 7a_100011217071_200000210301 [0,0,0,0,0,0|3,0,1]=4 443 B9R0.46 CCCCOCC(C)O[13CH3] 34a_100011217071_200025704644 [0,0,0,0,0,0|3,0,1]=4 444 B9R0.46 CCCCOCC(C)O[13CH3] 7a_100011217071_200025704644 [0,0,0,0,0,0|3,0,1]=4 445 B9R0.46 CCCCOCC(Cl)CCl 34a_100000033668_100000210210 [0,0,0,0,0,0|3,0,1]=4 446 B9R0.46 CCCCOCC(O)CC 34a_100000210227_100011218378 [0,0,0,0,0,0|1,0,2]=3 447 B9R0.46 CCCCOCC(O)CC 7a_100000210227_100011218378 [0,0,0,0,0,0|1,0,2]=3 448 B9R0.46 CCCCOCC(O)CO 34a_100000210227_100011219619 [0,0,0,0,0,0|2,0,2]=4 449 B9R0.46 CCCCOCC(O)CO 7a_100000210227_100011219619 [0,0,0,0,0,0|2,0,2]=4 450 B9R0.46 CCCCOCN(C)CC 2230a_100000225621_100011995733 [0,0,0,0,0,0|3,0,0]=3 451 B9R0.46 CCCCOCN(C)CC 269982a_100000225621_100011995733 [0,0,0,0,0,0|3,0,0]=3 452 B9R0.46 CCCCOC[C@@H](C)CC 34a_100000210227_100009816398 [0,0,0,0,0,0|2,0,1]=3 453 B9R0.46 CCCCOC[C@@H](C)CC 7a_100000210227_100009816398 [0,0,0,0,0,0|2,0,1]=3 454 B9R0.46 CCCCOC[C@@H](C)CC 7a_100009816381_100000210211 [0,0,0,0,0,0|2,0,1]=3 455 B9R0.46 CCCCOC[C@@H](C)CO 34a_100000210227_100000059175 [0,0,0,0,0,0|3,0,1]=4 456 B9R0.46 CCCCOC[C@@H](C)CO 7a_100000210227_100000059175 [0,0,0,0,0,0|3,0,1]=4 457 B9R0.46 CCCCOC[C@@H](O)CF 34a_100000210227_100015614560 [0,0,0,0,0,0|2,0,2]=4 458 B9R0.46 CCCCOC[C@@H](O)CF 7a_100000210227_100015614560 [0,0,0,0,0,0|2,0,2]=4 459 B9R0.46 CCCCOC[C@@H](O)CO 34a_100000210227_100009815848 [0,0,0,0,0,0|2,0,2]=4 460 B9R0.46 CCCCOC[C@@H](O)CO 7a_100000210227_100009815848 [0,0,0,0,0,0|2,0,2]=4 461 B9R0.46 CCCCOC[C@H](F)CN 34a_100015665980_100000210210 [0,0,0,0,0,0|3,0,1]=4 462 B9R0.46 CCCCSCC(=O)CC 1458a_100000191162_100000210202 [0,0,0,0,0,0|1,0,0]=1 463 B9R0.46 CCCCSCC(=O)CC 62a_100000210211_100000747405 [0,0,0,0,0,0|1,0,0]=1 464 B9R0.46 CCCCSCC(=O)CC 62a_100000747405_100000210210 [0,0,0,0,0,0|1,0,0]=1 465 B9R0.46 CCCCSCC(=O)CF 1458a_100000191162_100015361967 [0,0,0,0,0,0|2,0,0]=2 466 B9R0.46 CCCCSCC(=O)NC 11a_106832991635_100000191162 [0,0,0,0,0,0|2,0,0]=2 467 B9R0.46 CCCCSCC(=O)NC 1626a_100102657272_100000191162 [0,0,0,0,0,0|2,0,0]=2 468 B9R0.46 CCCCSCC(=O)NC 240690a_100102657272_100000191162 [0,0,0,0,0,0|2,0,0]=2 469 B9R0.46 CCCCSCC(=O)NC 527a_100102657272_100000191162 [0,0,0,0,0,0|2,0,0]=2 470 B9R0.46 CCCCSCC(=O)NC 62a_100000183359_100000210210 [0,0,0,0,0,0|2,0,0]=2 471 B9R0.46 CCCCSCC(=O)NC 62a_100000210211_100000183359 [0,0,0,0,0,0|2,0,0]=2 472 B9R0.46 CCCCSCC(=O)OC 62a_100000210211_100000747449 [0,0,0,0,0,0|2,0,0]=2 473 B9R0.46 CCCCSCC(=O)OC 62a_100000747449_100000210210 [0,0,0,0,0,0|2,0,0]=2 474 B9R0.46 CCCCSCC(C)CC 62a_100000210211_100000748023 [0,0,0,0,0,0|2,0,1]=3 475 B9R0.46 CCCCSCC(C)CC 62a_100000748023_100000210210 [0,0,0,0,0,0|2,0,1]=3 476 B9R0.46 CCCCSCC(O)CC 62a_100000210211_100011218378 [0,0,0,0,0,0|1,0,2]=3 477 B9R0.46 CCCCSCC(O)CC 62a_100011218378_100000210210 [0,0,0,0,0,0|1,0,2]=3 478 B9R0.46 CCCCSCC(O)CO 62a_100000210211_100011219619 [0,0,0,0,0,0|2,0,2]=4 479 B9R0.46 CCCCSCC(O)CO 62a_100011219619_100000210210 [0,0,0,0,0,0|2,0,2]=4 480 B9R0.46 CCCCSC[C@@H](C)CC 62a_100000210211_100009816398 [0,0,0,0,0,0|2,0,1]=3 481 B9R0.46 CCCCSC[C@@H](C)CC 62a_100009816398_100000210210 [0,0,0,0,0,0|2,0,1]=3 482 B9R0.46 CCCCSC[C@@H](C)CO 62a_100000059175_100000210210 [0,0,0,0,0,0|3,0,1]=4 483 B9R0.46 CCCCSC[C@@H](C)CO 62a_100000210211_100000059175 [0,0,0,0,0,0|3,0,1]=4 484 B9R0.46 CCCCSC[C@@H](O)CF 62a_100000210211_100015614560 [0,0,0,0,0,0|2,0,2]=4 485 B9R0.46 CCCCSC[C@@H](O)CF 62a_100015614560_100000210210 [0,0,0,0,0,0|2,0,2]=4 486 B9R0.46 CCCCSC[C@@H](O)CO 62a_100000210211_100009815848 [0,0,0,0,0,0|2,0,2]=4 487 B9R0.46 CCCCSC[C@@H](O)CO 62a_100009815848_100000210210 [0,0,0,0,0,0|2,0,2]=4 488 B9R0.46 CCCNCCC(=O)NC 2230a_100000738227_100000210303 [0,0,0,0,0,0|2,0,0]=2 489 B9R0.46 CCCNCCC(=O)NC 34a_100000738227_100000210303 [0,0,0,0,0,0|2,0,0]=2 490 B9R0.46 CCCNCCC(C)CC 2230a_100020591266_100000210303 [0,0,0,0,0,0|2,0,1]=3 491 B9R0.46 CCCNCCC(C)CO 2230a_106354213184_100000210303 [0,0,0,0,0,0|3,0,1]=4 492 B9R0.46 CCCNCCC(C)CO 34a_106354213184_100000210303 [0,0,0,0,0,0|3,0,1]=4 493 B9R0.46 CCCNN=CC(=O)OC 4a_100000740057_200011823558 [0,0,0,0,0,0|3,0,1]=4 494 B9R0.46 CCCOCCC(=NO)N 34a_100000749954_100000210303 [0,0,0,0,0,0|4,0,0]=4 495 B9R0.46 CCCOCCC(=O)CC 1458a_100000210414_100011215938 [0,0,0,0,0,0|1,0,0]=1 496 B9R0.46 CCCOCCC(=O)CO 1458a_100000210174_100011215938 [0,0,0,0,0,0|2,0,0]=2 497 B9R0.46 CCCOCCC(=O)NC 34a_100000210258_100012179268 [0,0,0,0,0,0|2,0,0]=2 498 B9R0.46 CCCOCCC(=O)NC 34a_100000754576_100000210303 [0,0,0,0,0,0|2,0,0]=2 499 B9R0.46 CCCOCCC(=O)OC 34a_100000210258_100000742370 [0,0,0,0,0,0|2,0,0]=2 500 B9R0.46 CCCOCCC(C)CC 7a_100011215188_100000210303 [0,0,0,0,0,0|2,0,1]=3 501 B9R0.46 CCCOCCC(C)OC 7a_100000764861_100000210303 [0,0,0,0,0,0|3,0,1]=4 502 B9R0.46 CCCOCCN(C)CC 2230a_100000225621_100011215938 [0,0,0,0,0,0|3,0,0]=3 503 B9R0.46 CCCOCCN(C)CC 269982a_100000225621_100011215938 [0,0,0,0,0,0|3,0,0]=3 504 B9R0.46 CCCSCCC(=O)NC 62a_100000210303_100000737683 [0,0,0,0,0,0|2,0,0]=2 505 B9R0.46 CCCSCCC(=O)NC 62a_100000737683_100000210303 [0,0,0,0,0,0|2,0,0]=2 506 B9R0.46 CCCSCCC(=O)OC 62a_100000204255_100000210303 [0,0,0,0,0,0|2,0,0]=2 507 B9R0.46 CCCSCCC(=O)OC 62a_100000210303_100000204255 [0,0,0,0,0,0|2,0,0]=2 508 B9R0.46 CCCSCOC(=O)OC 62a_100000210303_100000139417 [0,0,0,0,0,0|3,0,0]=3 509 B9R0.46 CCN(C)CCCCC#N 2230a_100000225621_100000211819 [0,0,0,0,0,0|3,0,1]=4 510 B9R0.46 CCN(C)CCCCC#N 269982a_100000225621_100011219923 [0,0,0,0,0,0|3,0,1]=4 511 B9R0.46 CCN(C)CCCCC=O 2230a_100000225621_100000139335 [0,0,0,0,0,0|3,0,1]=4 512 B9R0.46 CCN(C)CCCCC=O 269982a_100000225621_100000139335 [0,0,0,0,0,0|3,0,1]=4 513 B9R0.46 CCN(C)CCCCCF 2230a_100000225621_100000729378 [0,0,0,0,0,0|3,0,0]=3 514 B9R0.46 CCN(C)CCCCCF 269982a_100000225621_100000729378 [0,0,0,0,0,0|3,0,0]=3 515 B9R0.46 CCN(C)CCCCCO 2230a_100000225621_100000746330 [0,0,0,0,0,0|3,0,0]=3 516 B9R0.46 CCN(C)CCCCCO 2230a_100000722520_100000210202 [0,0,0,0,0,0|3,0,0]=3 517 B9R0.46 CCN(C)CCCCCO 269982a_100000225621_100000746330 [0,0,0,0,0,0|3,0,0]=3 518 B9R0.46 CCN(C)CCCCCO 269982a_100000722520_100000204670 [0,0,0,0,0,0|3,0,0]=3 519 B9R0.46 CCN(C)CCCCOC 2230a_100000225621_100000730899 [0,0,0,0,0,0|3,0,0]=3 520 B9R0.46 CCN(C)CCCCOC 269982a_100000225621_100000730899 [0,0,0,0,0,0|3,0,0]=3 521 B9R0.46 CCN(C)CCCSCF 62a_100015361967_100015186262 [0,0,0,0,0,0|4,0,0]=4 522 B9R0.46 CCN(C)CCOCCO 2230a_100000225621_100011215305 [0,0,0,0,0,0|4,0,0]=4 523 B9R0.46 CCN(C)CCOCCO 2230a_100000228057_100000210202 [0,0,0,0,0,0|4,0,0]=4 524 B9R0.46 CCN(C)CCOCCO 269982a_100000225621_100011215305 [0,0,0,0,0,0|4,0,0]=4 525 B9R0.46 CCN(C)CCOCCO 269982a_100000228057_100000204670 [0,0,0,0,0,0|4,0,0]=4 526 B9R0.46 CCN(C)COCCOC 2230a_100000225621_100000231047 [0,0,0,0,0,0|4,0,0]=4 527 B9R0.46 CCN(C)COCCOC 269982a_100000225621_100000231047 [0,0,0,0,0,0|4,0,0]=4 528 B9R0.46 CCNC/C=C/C(=O)OC 2230a_100015525214_100000742655 [0,0,0,0,0,0|2,0,2]=4 529 B9R0.46 CCNCCCC(=O)NC 2230a_100000740002_100000210202 [0,0,0,0,0,0|2,0,0]=2 530 B9R0.46 CCNCCCC(=O)NC 2230a_100015525214_100000741757 [0,0,0,0,0,0|2,0,0]=2 531 B9R0.46 CCNCCCC(=O)NC 34a_100000740002_100000210202 [0,0,0,0,0,0|2,0,0]=2 532 B9R0.46 CCNCCCC(=O)OC 2230a_100015525214_100011218270 [0,0,0,0,0,0|2,0,0]=2 533 B9R0.46 CCNCCCN(C)CC 2230a_100015525214_100015186262 [0,0,0,0,0,0|3,0,0]=3 534 B9R0.46 CCNCCNC(=O)CC 34a_100132302217_100000210202 [0,0,0,0,0,0|2,0,0]=2 535 B9R0.46 CCNCCNC(=O)NC 34a_100015205895_100000210202 [0,0,0,0,0,0|3,0,0]=3 536 B9R0.46 CCNN=CCC(=O)OC 4a_100000756455_200011552997 [0,0,0,0,0,0|3,0,1]=4 537 B9R0.46 CCOC/C=C/C(=O)OC 34a_100121572206_100000742655 [0,0,0,0,0,0|2,0,2]=4 538 B9R0.46 CCOCCCC(=O)CC 1458a_100000210414_100012232248 [0,0,0,0,0,0|1,0,0]=1 539 B9R0.46 CCOCCCC(=O)CO 1458a_100000210174_100012232248 [0,0,0,0,0,0|2,0,0]=2 540 B9R0.46 CCOCCCC(=O)NC 34a_100121572206_100000741757 [0,0,0,0,0,0|2,0,0]=2 541 B9R0.46 CCOCCCC(=O)NN 34a_100000211488_100000210202 [0,0,0,0,0,0|3,0,0]=3 542 B9R0.46 CCOCCCC(=O)OC 34a_100121572206_100000742333 [0,0,0,0,0,0|2,0,0]=2 543 B9R0.46 CCOCCCC(C)CC 7a_100011216074_100000210202 [0,0,0,0,0,0|2,0,1]=3 544 B9R0.46 CCOCCCN(C)CC 2230a_100000225621_100012232248 [0,0,0,0,0,0|3,0,0]=3 545 B9R0.46 CCOCCCN(C)CC 269982a_100000225621_100012232248 [0,0,0,0,0,0|3,0,0]=3 546 B9R0.46 CCOCCC[C@@H](C)CN 34a_100160569302_100000210202 [0,0,0,0,0,0|3,0,1]=4 547 B9R0.46 CCOCCNC(=O)CC 11a_100011200944_100000210414 [0,0,0,0,0,0|2,0,0]=2 548 B9R0.46 CCOCCNC(=O)CC 1626a_102516460346_100000210414 [0,0,0,0,0,0|2,0,0]=2 549 B9R0.46 CCOCCNC(=O)CC 240690a_100011200944_100000210414 [0,0,0,0,0,0|2,0,0]=2 550 B9R0.46 CCOCCNC(=O)CC 34a_200000158885_100000210202 [0,0,0,0,0,0|2,0,0]=2 551 B9R0.46 CCOCCNC(=O)CC 527a_100011200944_100000210414 [0,0,0,0,0,0|2,0,0]=2 552 B9R0.46 CCOCCNC(=O)CC 7a_200000158885_100000210202 [0,0,0,0,0,0|2,0,0]=2 553 B9R0.46 CCOCCNC(=O)CO 240690a_100011200944_100000210174 [0,0,0,0,0,0|3,0,0]=3 554 B9R0.46 CCOCCNC(=O)CO 527a_100011200944_100000210174 [0,0,0,0,0,0|3,0,0]=3 555 B9R0.46 CCOCCNC(=O)NC 2708a_100011200944_106832991635 [0,0,0,0,0,0|3,0,0]=3 556 B9R0.46 CCOCCNC(=O)NC 2708a_100102657272_100011200944 [0,0,0,0,0,0|3,0,0]=3 557 B9R0.46 CCOCCNC(=O)NC 273464a_100102657272_102516460346 [0,0,0,0,0,0|3,0,0]=3 558 B9R0.46 CCOCCNC(=O)NC 273464a_102516460346_100102657272 [0,0,0,0,0,0|3,0,0]=3 559 B9R0.46 CCOCCNC(=O)NC 512a_100011200944_100102657272 [0,0,0,0,0,0|3,0,0]=3 560 B9R0.46 CCOCCNC(=O)NC 512a_106832991638_100011200944 [0,0,0,0,0,0|3,0,0]=3 561 B9R0.46 CCOCCNC(=O)OC 34a_100000757965_100000210202 [0,0,0,0,0,0|3,0,0]=3 562 B9R0.46 CCOCCNC(C)CC 2230a_100000209981_100011215890 [0,0,0,0,0,0|3,0,1]=4 563 B9R0.46 CCOCCNC(C)CC 2230a_102516460346_100000758301 [0,0,0,0,0,0|3,0,1]=4 564 B9R0.46 CCOCCNC(C)CC 34a_102516460346_100011215416 [0,0,0,0,0,0|3,0,1]=4 565 B9R0.46 CCOCCOC(=O)CC 7a_200000031056_100000210202 [0,0,0,0,0,0|2,0,0]=2 566 B9R0.46 CCOCCOC(=O)NC 34a_100121572206_200011997002 [0,0,0,0,0,0|3,0,0]=3 567 B9R0.46 CCOCCOC(=O)OC 34a_100010262106_100000210202 [0,0,0,0,0,0|3,0,0]=3 568 B9R0.46 CCOCCOC(C)CC 34a_100000210136_100011215416 [0,0,0,0,0,0|3,0,1]=4 569 B9R0.46 CCOCCOC(C)CC 7a_100000210136_100000758301 [0,0,0,0,0,0|3,0,1]=4 570 B9R0.46 CCOCCOC(C)CC 7a_100000210228_100011215890 [0,0,0,0,0,0|3,0,1]=4 571 B9R0.46 CCOCCSC(C)CC 62a_100000210147_100000758301 [0,0,0,0,0,0|3,0,1]=4 572 B9R0.46 CCOCCSC(C)CC 62a_100000758301_100011215890 [0,0,0,0,0,0|3,0,1]=4 573 B9R0.46 CCOCSCC(=O)CC 62a_100000739092_100000747405 [0,0,0,0,0,0|2,0,0]=2 574 B9R0.46 CCOCSCC(=O)CC 62a_100000747405_100000739092 [0,0,0,0,0,0|2,0,0]=2 575 B9R0.46 CCOCSCC(=O)NC 62a_100000183359_100000739092 [0,0,0,0,0,0|3,0,0]=3 576 B9R0.46 CCOCSCC(=O)NC 62a_100000739092_100000183359 [0,0,0,0,0,0|3,0,0]=3 577 B9R0.46 CCOCSCC(=O)OC 62a_100000739092_100000747449 [0,0,0,0,0,0|3,0,0]=3 578 B9R0.46 CCOCSCC(=O)OC 62a_100000747449_100000739092 [0,0,0,0,0,0|3,0,0]=3 579 B9R0.46 CCOCSCC(C)CC 62a_100000739092_100000748023 [0,0,0,0,0,0|3,0,1]=4 580 B9R0.46 CCOCSCC(C)CC 62a_100000748023_100000739092 [0,0,0,0,0,0|3,0,1]=4 581 B9R0.46 CCOCSCC(O)CC 62a_100000739092_100011218378 [0,0,0,0,0,0|2,0,2]=4 582 B9R0.46 CCOCSCC(O)CC 62a_100011218378_100000739092 [0,0,0,0,0,0|2,0,2]=4 583 B9R0.46 CCOCSC[C@@H](C)CC 62a_100000739092_100009816398 [0,0,0,0,0,0|3,0,1]=4 584 B9R0.46 CCOCSC[C@@H](C)CC 62a_100009816398_100000739092 [0,0,0,0,0,0|3,0,1]=4 585 B9R0.46 CCSC/C=C/C(=O)OC 62a_100000210202_100000742655 [0,0,0,0,0,0|2,0,2]=4 586 B9R0.46 CCSC/C=C/C(=O)OC 62a_100000742655_100000210202 [0,0,0,0,0,0|2,0,2]=4 587 B9R0.46 CCSCCCC(=O)NC 62a_100000210202_100000741757 [0,0,0,0,0,0|2,0,0]=2 588 B9R0.46 CCSCCCC(=O)NC 62a_100000741757_100000210202 [0,0,0,0,0,0|2,0,0]=2 589 B9R0.46 CCSCCCC(=O)OC 62a_100000210202_100011218270 [0,0,0,0,0,0|2,0,0]=2 590 B9R0.46 CCSCCCC(=O)OC 62a_100011218270_100000210202 [0,0,0,0,0,0|2,0,0]=2 591 B9R0.46 CCSCCCN(C)CC 62a_100000210202_100015186262 [0,0,0,0,0,0|3,0,0]=3 592 B9R0.46 CCSCCNC(=O)CC 11a_100000106463_100000210414 [0,0,0,0,0,0|2,0,0]=2 593 B9R0.46 CCSCCNC(=O)CC 1626a_100000106463_100000210414 [0,0,0,0,0,0|2,0,0]=2 594 B9R0.46 CCSCCNC(=O)CC 240690a_100000106463_100000210414 [0,0,0,0,0,0|2,0,0]=2 595 B9R0.46 CCSCCNC(=O)CC 527a_100000106463_100000210414 [0,0,0,0,0,0|2,0,0]=2 596 B9R0.46 CCSCCNC(=O)CO 240690a_100000106463_100000210174 [0,0,0,0,0,0|3,0,0]=3 597 B9R0.46 CCSCCNC(=O)CO 527a_100000106463_100000210174 [0,0,0,0,0,0|3,0,0]=3 598 B9R0.46 CCSCCNC(=O)NC 2708a_100000106463_106832991635 [0,0,0,0,0,0|3,0,0]=3 599 B9R0.46 CCSCCNC(=O)NC 2708a_100102657272_100000106463 [0,0,0,0,0,0|3,0,0]=3 600 B9R0.46 CCSCCNC(=O)NC 273464a_100000106463_100102657272 [0,0,0,0,0,0|3,0,0]=3 601 B9R0.46 CCSCCNC(=O)NC 273464a_100102657272_100000106463 [0,0,0,0,0,0|3,0,0]=3 602 B9R0.46 CCSCCNC(=O)NC 512a_100000106463_100102657272 [0,0,0,0,0,0|3,0,0]=3 603 B9R0.46 CCSCCNC(=O)NC 512a_106832991638_100000106463 [0,0,0,0,0,0|3,0,0]=3 604 B9R0.46 CCSCCNC(C)CC 2230a_100000106463_100000758301 [0,0,0,0,0,0|3,0,1]=4 605 B9R0.46 CCSCCNC(C)CC 2230a_100000209981_100000757381 [0,0,0,0,0,0|3,0,1]=4 606 B9R0.46 CCSCCOC(=O)NC 62a_100000210202_200011997002 [0,0,0,0,0,0|3,0,0]=3 607 B9R0.46 CCSCCOC(=O)NC 62a_200011997002_100000210202 [0,0,0,0,0,0|3,0,0]=3 608 B9R0.46 CCSCCOC(C)CC 34a_100000212035_100011215416 [0,0,0,0,0,0|3,0,1]=4 609 B9R0.46 CCSCCOC(C)CC 7a_100000210228_100000757381 [0,0,0,0,0,0|3,0,1]=4 610 B9R0.46 CCSCCOC(C)CC 7a_100000212035_100000758301 [0,0,0,0,0,0|3,0,1]=4 611 B9R0.46 CCSCCSC(C)CC 62a_100000757381_100000758301 [0,0,0,0,0,0|3,0,1]=4 612 B9R0.46 CCSCCSC(C)CC 62a_100000758301_100000757381 [0,0,0,0,0,0|3,0,1]=4 613 B9R0.46 CC[C@H](C)CNCCCF 2230a_100015189416_100009816398 [0,0,0,0,0,0|3,0,1]=4 614 B9R0.46 CC[C@H](C)CNCCCF 34a_100015189416_100009816398 [0,0,0,0,0,0|3,0,1]=4 615 B9R0.46 CC[C@H](C)CNCCOC 2230a_100000209980_100009816398 [0,0,0,0,0,0|3,0,1]=4 616 B9R0.46 CC[C@H](C)CNCCSC 2230a_100020590264_100009816398 [0,0,0,0,0,0|3,0,1]=4 617 B9R0.46 CC[C@H](C)COCCCBr 34a_100011217188_100009816398 [0,0,0,0,0,0|3,0,1]=4 618 B9R0.46 CC[C@H](C)COCCCCl 34a_100000230001_100009816398 [0,0,0,0,0,0|3,0,1]=4 619 B9R0.46 CC[C@H](C)COCCCF 34a_100000759539_100009816398 [0,0,0,0,0,0|3,0,1]=4 620 B9R0.46 CC[C@H](C)COCCCF 7a_100009816381_100011934791 [0,0,0,0,0,0|3,0,1]=4 621 B9R0.46 CC[C@H](C)COCCCN 34a_100000182051_100009816398 [0,0,0,0,0,0|3,0,1]=4 622 B9R0.46 CC[C@H](C)COCCCO 7a_100009816381_100011215043 [0,0,0,0,0,0|3,0,1]=4 623 B9R0.46 CC[C@H](C)COCCOC 34a_100000210237_100009816398 [0,0,0,0,0,0|3,0,1]=4 624 B9R0.46 CC[C@H](C)COCCOC 7a_100009816381_100000233755 [0,0,0,0,0,0|3,0,1]=4 625 B9R0.46 CC[C@H](C)COCCSC 34a_100000230434_100009816398 [0,0,0,0,0,0|3,0,1]=4 626 B9R0.46 CC[C@H](C)COCCSC 7a_100000230434_100009816398 [0,0,0,0,0,0|3,0,1]=4 627 B9R0.46 CC[C@H](C)COCCSC 7a_100009816381_100000212216 [0,0,0,0,0,0|3,0,1]=4 628 B9R0.46 CC[C@H](C)CSCCCF 62a_100009816398_100011934791 [0,0,0,0,0,0|3,0,1]=4 629 B9R0.46 CC[C@H](C)CSCCCF 62a_100011934791_100009816398 [0,0,0,0,0,0|3,0,1]=4 630 B9R0.46 CC[C@H](C)CSCCCO 62a_100009816398_100011215043 [0,0,0,0,0,0|3,0,1]=4 631 B9R0.46 CC[C@H](C)CSCCCO 62a_100011215043_100009816398 [0,0,0,0,0,0|3,0,1]=4 632 B9R0.46 CC[C@H](C)CSCCOC 62a_100000233755_100009816398 [0,0,0,0,0,0|3,0,1]=4 633 B9R0.46 CC[C@H](C)CSCCOC 62a_100009816398_100000233755 [0,0,0,0,0,0|3,0,1]=4 634 B9R0.46 CC[C@H](C)CSCCSC 62a_100000212216_100009816398 [0,0,0,0,0,0|3,0,1]=4 635 B9R0.46 CC[C@H](C)CSCCSC 62a_100009816398_100000751147 [0,0,0,0,0,0|3,0,1]=4 636 B9R0.46 CN(CF)CCCCCO 269982a_100000722520_100015361967 [0,0,0,0,0,0|4,0,0]=4 637 B9R0.46 CNC(=O)CCCCCO 240690a_100102657272_100102619762 [0,0,0,0,0,0|2,0,0]=2 638 B9R0.46 CNC(=O)CCCN=[N+]=[N-] 11a_106832991635_100010262590 [0,0,0,0,0,0|4,0,0]=4 639 B9R0.46 CNC(=O)CCCN=[N+]=[N-] 240690a_100102657272_100010262590 [0,0,0,0,0,0|4,0,0]=4 640 B9R0.46 CNC(=O)CCCN=[N+]=[N-] 527a_100102657272_100010262590 [0,0,0,0,0,0|4,0,0]=4 641 B9R0.46 CNC(=O)CCCNCF 34a_100000740002_100015361967 [0,0,0,0,0,0|3,0,0]=3 642 B9R0.46 CNC(=O)CCCSCF 62a_100000741757_100015361967 [0,0,0,0,0,0|3,0,0]=3 643 B9R0.46 CNC(=O)CCCSCF 62a_100015361967_100000741757 [0,0,0,0,0,0|3,0,0]=3 644 B9R0.46 CNC(=O)CCNCC#N 2230a_100000738227_100011215382 [0,0,0,0,0,0|3,0,1]=4 645 B9R0.46 CNC(=O)CCNCC=O 2230a_100000738227_200015260668 [0,0,0,0,0,0|3,0,1]=4 646 B9R0.46 CNC(=O)CCNCC=O 34a_100000738227_200009817547 [0,0,0,0,0,0|3,0,1]=4 647 B9R0.46 CNC(=O)CCNCCF 2230a_100000738227_100011217306 [0,0,0,0,0,0|3,0,0]=3 648 B9R0.46 CNC(=O)CCNCCF 34a_100000724931_100012179268 [0,0,0,0,0,0|3,0,0]=3 649 B9R0.46 CNC(=O)CCNCCF 34a_100000738227_100011217306 [0,0,0,0,0,0|3,0,0]=3 650 B9R0.46 CNC(=O)CCNCCO 2230a_100000738227_100000211926 [0,0,0,0,0,0|3,0,0]=3 651 B9R0.46 CNC(=O)CCNCCO 2230a_100016997473_100000737683 [0,0,0,0,0,0|3,0,0]=3 652 B9R0.46 CNC(=O)CCNCCO 34a_100000738227_100000211926 [0,0,0,0,0,0|3,0,0]=3 653 B9R0.46 CNC(=O)CCNCCO 34a_100016990907_100012179268 [0,0,0,0,0,0|3,0,0]=3 654 B9R0.46 CNC(=O)CCNCOC 2230a_100000738227_100000766300 [0,0,0,0,0,0|3,0,0]=3 655 B9R0.46 CNC(=O)CCNCSC 2230a_100000738227_100011218213 [0,0,0,0,0,0|3,0,0]=3 656 B9R0.46 CNC(=O)CCNCSC 34a_100000738227_100011218213 [0,0,0,0,0,0|3,0,0]=3 657 B9R0.46 CNC(=O)CCOCC=O 34a_100000754576_200009817547 [0,0,0,0,0,0|3,0,1]=4 658 B9R0.46 CNC(=O)CCOCCBr 34a_100000211926_100012179268 [0,0,0,0,0,0|3,0,0]=3 659 B9R0.46 CNC(=O)CCOCCF 34a_100000754576_100011217306 [0,0,0,0,0,0|3,0,0]=3 660 B9R0.46 CNC(=O)CCOCCN 34a_100000210304_100012179268 [0,0,0,0,0,0|3,0,0]=3 661 B9R0.46 CNC(=O)CCOCCO 1626a_100102657272_100011229844 [0,0,0,0,0,0|3,0,0]=3 662 B9R0.46 CNC(=O)CCOCCO 240690a_100102657272_100011229844 [0,0,0,0,0,0|3,0,0]=3 663 B9R0.46 CNC(=O)CCOCCO 34a_100000754576_100000211926 [0,0,0,0,0,0|3,0,0]=3 664 B9R0.46 CNC(=O)CCOCSC 34a_100000754576_100011218213 [0,0,0,0,0,0|3,0,0]=3 665 B9R0.46 CNC(=O)CCSCC#N 62a_100000737683_100011215382 [0,0,0,0,0,0|3,0,1]=4 666 B9R0.46 CNC(=O)CCSCC#N 62a_100011215382_100000737683 [0,0,0,0,0,0|3,0,1]=4 667 B9R0.46 CNC(=O)CCSCC=O 62a_100000737683_200015260668 [0,0,0,0,0,0|3,0,1]=4 668 B9R0.46 CNC(=O)CCSCC=O 62a_200015260668_100000737683 [0,0,0,0,0,0|3,0,1]=4 669 B9R0.46 CNC(=O)CCSCCF 62a_100000737683_100011217306 [0,0,0,0,0,0|3,0,0]=3 670 B9R0.46 CNC(=O)CCSCCF 62a_100011217306_100000737683 [0,0,0,0,0,0|3,0,0]=3 671 B9R0.46 CNC(=O)CCSCCO 62a_100000211926_100000737683 [0,0,0,0,0,0|3,0,0]=3 672 B9R0.46 CNC(=O)CCSCCO 62a_100000737683_100000211926 [0,0,0,0,0,0|3,0,0]=3 673 B9R0.46 CNC(=O)CCSCOC 62a_100000737683_100000766300 [0,0,0,0,0,0|3,0,0]=3 674 B9R0.46 CNC(=O)CCSCOC 62a_100000766300_100000737683 [0,0,0,0,0,0|3,0,0]=3 675 B9R0.46 CNC(=O)CCSCSC 62a_100000737683_100011218213 [0,0,0,0,0,0|3,0,0]=3 676 B9R0.46 CNC(=O)CCSCSC 62a_100011218213_100000737683 [0,0,0,0,0,0|3,0,0]=3 677 B9R0.46 CNC(=O)CNCCC#N 2230a_100000693194_100011215226 [0,0,0,0,0,0|3,0,1]=4 678 B9R0.46 CNC(=O)CNCCCF 2230a_100000693194_100011934791 [0,0,0,0,0,0|3,0,0]=3 679 B9R0.46 CNC(=O)CNCCCF 2230a_100015189416_100000183359 [0,0,0,0,0,0|3,0,0]=3 680 B9R0.46 CNC(=O)CNCCCF 34a_100015189416_100000183359 [0,0,0,0,0,0|3,0,0]=3 681 B9R0.46 CNC(=O)CNCCCO 2230a_100000693194_100000230001 [0,0,0,0,0,0|3,0,0]=3 682 B9R0.46 CNC(=O)CNCCOC 2230a_100000209980_100000183359 [0,0,0,0,0,0|3,0,0]=3 683 B9R0.46 CNC(=O)CNCCOC 2230a_100000693194_100011201679 [0,0,0,0,0,0|3,0,0]=3 684 B9R0.46 CNC(=O)CNCCSC 2230a_100000693194_100000751147 [0,0,0,0,0,0|3,0,0]=3 685 B9R0.46 CNC(=O)CNCCSC 2230a_100020590264_100000183359 [0,0,0,0,0,0|3,0,0]=3 686 B9R0.46 CNC(=O)COCCCBr 34a_100011217188_100000183359 [0,0,0,0,0,0|3,0,0]=3 687 B9R0.46 CNC(=O)COCCCCl 34a_100000230001_100000183359 [0,0,0,0,0,0|3,0,0]=3 688 B9R0.46 CNC(=O)COCCCF 34a_100000750040_100011934791 [0,0,0,0,0,0|3,0,0]=3 689 B9R0.46 CNC(=O)COCCCF 34a_100000759539_100000183359 [0,0,0,0,0,0|3,0,0]=3 690 B9R0.46 CNC(=O)COCCCN 34a_100000182051_100000183359 [0,0,0,0,0,0|3,0,0]=3 691 B9R0.46 CNC(=O)COCCCO 34a_100000750040_100000230001 [0,0,0,0,0,0|3,0,0]=3 692 B9R0.46 CNC(=O)COCCOC 11a_106832991635_100000211095 [0,0,0,0,0,0|3,0,0]=3 693 B9R0.46 CNC(=O)COCCOC 1626a_100102657272_100000211095 [0,0,0,0,0,0|3,0,0]=3 694 B9R0.46 CNC(=O)COCCOC 240690a_100102657272_100000211095 [0,0,0,0,0,0|3,0,0]=3 695 B9R0.46 CNC(=O)COCCOC 34a_100000210237_100000183359 [0,0,0,0,0,0|3,0,0]=3 696 B9R0.46 CNC(=O)COCCOC 34a_100000750040_100011201679 [0,0,0,0,0,0|3,0,0]=3 697 B9R0.46 CNC(=O)COCCOC 527a_100102657272_100000211095 [0,0,0,0,0,0|3,0,0]=3 698 B9R0.46 CNC(=O)COCCON 34a_100000700252_100000183359 [0,0,0,0,0,0|4,0,0]=4 699 B9R0.46 CNC(=O)COCCSC 34a_100000230434_100000183359 [0,0,0,0,0,0|3,0,0]=3 700 B9R0.46 CNC(=O)COCCSC 34a_100000750040_100000212216 [0,0,0,0,0,0|3,0,0]=3 701 B9R0.46 CNC(=O)COCCSC 7a_100000230434_100000183359 [0,0,0,0,0,0|3,0,0]=3 702 B9R0.46 CNC(=O)CSCCC#N 62a_100000183359_100011215226 [0,0,0,0,0,0|3,0,1]=4 703 B9R0.46 CNC(=O)CSCCC#N 62a_100011215226_100000183359 [0,0,0,0,0,0|3,0,1]=4 704 B9R0.46 CNC(=O)CSCCCF 62a_100000183359_100011934791 [0,0,0,0,0,0|3,0,0]=3 705 B9R0.46 CNC(=O)CSCCCF 62a_100011934791_100000183359 [0,0,0,0,0,0|3,0,0]=3 706 B9R0.46 CNC(=O)CSCCCO 62a_100000183359_100011215043 [0,0,0,0,0,0|3,0,0]=3 707 B9R0.46 CNC(=O)CSCCCO 62a_100011215043_100000183359 [0,0,0,0,0,0|3,0,0]=3 708 B9R0.46 CNC(=O)CSCCOC 62a_100000183359_100000233755 [0,0,0,0,0,0|3,0,0]=3 709 B9R0.46 CNC(=O)CSCCOC 62a_100000233755_100000183359 [0,0,0,0,0,0|3,0,0]=3 710 B9R0.46 CNC(=O)CSCCSC 62a_100000183359_100000751147 [0,0,0,0,0,0|3,0,0]=3 711 B9R0.46 CNC(=O)CSCCSC 62a_100000212216_100000183359 [0,0,0,0,0,0|3,0,0]=3 712 B9R0.46 CNC(=O)NCCCCO 2708a_100000750430_106832991635 [0,0,0,0,0,0|3,0,0]=3 713 B9R0.46 CNC(=O)NCCCCO 2708a_100102657272_100000750430 [0,0,0,0,0,0|3,0,0]=3 714 B9R0.46 CNC(=O)NCCCCO 273464a_100000750430_100102657272 [0,0,0,0,0,0|3,0,0]=3 715 B9R0.46 CNC(=O)NCCCCO 273464a_100102657272_100000750430 [0,0,0,0,0,0|3,0,0]=3 716 B9R0.46 CNC(=O)NCCCCO 512a_100000750430_100102657272 [0,0,0,0,0,0|3,0,0]=3 717 B9R0.46 CNC(=O)NCCCCO 512a_106832991638_100000750430 [0,0,0,0,0,0|3,0,0]=3 718 B9R0.46 CNC(=O)NCCCOC 2708a_100102657272_100150723488 [0,0,0,0,0,0|3,0,0]=3 719 B9R0.46 CNC(=O)NCCCOC 2708a_100150723488_106832991635 [0,0,0,0,0,0|3,0,0]=3 720 B9R0.46 CNC(=O)NCCCOC 273464a_100102657272_100150723488 [0,0,0,0,0,0|3,0,0]=3 721 B9R0.46 CNC(=O)NCCCOC 273464a_100150723488_100102657272 [0,0,0,0,0,0|3,0,0]=3 722 B9R0.46 CNC(=O)NCCCOC 512a_106832991638_100150723488 [0,0,0,0,0,0|3,0,0]=3 723 B9R0.46 CNC(=O)NCCCSC 2708a_100000749238_106832991635 [0,0,0,0,0,0|3,0,0]=3 724 B9R0.46 CNC(=O)NCCCSC 2708a_100102657272_100000749238 [0,0,0,0,0,0|3,0,0]=3 725 B9R0.46 CNC(=O)NCCCSC 273464a_100000749238_100102657272 [0,0,0,0,0,0|3,0,0]=3 726 B9R0.46 CNC(=O)NCCCSC 273464a_100102657272_100000749238 [0,0,0,0,0,0|3,0,0]=3 727 B9R0.46 CNC(=O)NCCCSC 512a_100000749238_100102657272 [0,0,0,0,0,0|3,0,0]=3 728 B9R0.46 CNC(=O)NCCCSC 512a_106832991638_100000749238 [0,0,0,0,0,0|3,0,0]=3 729 B9R0.46 CNC(=O)NCCNCF 34a_100015205895_100015361967 [0,0,0,0,0,0|4,0,0]=4 730 B9R0.46 CNC(=O)NNCCOC 273464a_100102657272_100000741390 [0,0,0,0,0,0|4,0,0]=4 731 B9R0.46 CNC(=O)OCCSCF 62a_100015361967_200011997002 [0,0,0,0,0,0|4,0,0]=4 732 B9R0.46 CNC(=O)OCCSCF 62a_200011997002_100015361967 [0,0,0,0,0,0|4,0,0]=4 733 B9R0.46 CNCCCCC(=O)OC 2230a_106832991635_100000204269 [0,0,0,0,0,0|2,0,0]=2 734 B9R0.46 CNCCCCC(=O)OC 34a_100102657272_100000204269 [0,0,0,0,0,0|2,0,0]=2 735 B9R0.46 CNCCCCC(=O)OC 7a_106832991635_100000204269 [0,0,0,0,0,0|2,0,0]=2 736 B9R0.46 CNCCOCC(=O)OC 2230a_106832991635_100000090808 [0,0,0,0,0,0|3,0,0]=3 737 B9R0.46 CNCCOCC(=O)OC 34a_100102657272_100000090808 [0,0,0,0,0,0|3,0,0]=3 738 B9R0.46 CNCCOCC(=O)OC 7a_106832991635_100000090808 [0,0,0,0,0,0|3,0,0]=3 739 B9R0.46 COC(=O)CCCCO[13CH3] 34a_100000059025_200025704644 [0,0,0,0,0,0|2,0,0]=2 740 B9R0.46 COC(=O)CCCCO[13CH3] 7a_100000059025_200025704644 [0,0,0,0,0,0|2,0,0]=2 741 B9R0.46 COC(=O)CCCCSC 62a_100000204269_200000210301 [0,0,0,0,0,0|2,0,0]=2 742 B9R0.46 COC(=O)CCCCSC 62a_200000210301_100000204269 [0,0,0,0,0,0|2,0,0]=2 743 B9R0.46 COC(=O)CCCCS[13CH3] 62a_100000204269_200025704644 [0,0,0,0,0,0|2,0,0]=2 744 B9R0.46 COC(=O)CCCCS[13CH3] 62a_200025704644_100000204269 [0,0,0,0,0,0|2,0,0]=2 745 B9R0.46 COC(=O)CCCSCF 62a_100011218270_100015361967 [0,0,0,0,0,0|3,0,0]=3 746 B9R0.46 COC(=O)CCCSCF 62a_100015361967_100011218270 [0,0,0,0,0,0|3,0,0]=3 747 B9R0.46 COC(=O)CCNCCF 34a_100000724931_100000742370 [0,0,0,0,0,0|3,0,0]=3 748 B9R0.46 COC(=O)CCNCCO 2230a_100016997473_100000204255 [0,0,0,0,0,0|3,0,0]=3 749 B9R0.46 COC(=O)CCNCCO 34a_100016990907_100000742370 [0,0,0,0,0,0|3,0,0]=3 750 B9R0.46 COC(=O)CCOCCBr 34a_100000211926_100000742370 [0,0,0,0,0,0|3,0,0]=3 751 B9R0.46 COC(=O)CCOCCN 34a_100000210304_100000742370 [0,0,0,0,0,0|3,0,0]=3 752 B9R0.46 COC(=O)CCSCC#N 62a_100000204255_100011215382 [0,0,0,0,0,0|3,0,1]=4 753 B9R0.46 COC(=O)CCSCC#N 62a_100011215382_100000204255 [0,0,0,0,0,0|3,0,1]=4 754 B9R0.46 COC(=O)CCSCC=O 62a_100000204255_200015260668 [0,0,0,0,0,0|3,0,1]=4 755 B9R0.46 COC(=O)CCSCC=O 62a_200015260668_100000204255 [0,0,0,0,0,0|3,0,1]=4 756 B9R0.46 COC(=O)CCSCCF 62a_100000204255_100011217306 [0,0,0,0,0,0|3,0,0]=3 757 B9R0.46 COC(=O)CCSCCF 62a_100011217306_100000204255 [0,0,0,0,0,0|3,0,0]=3 758 B9R0.46 COC(=O)CCSCCO 62a_100000204255_100000211926 [0,0,0,0,0,0|3,0,0]=3 759 B9R0.46 COC(=O)CCSCCO 62a_100000211926_100000204255 [0,0,0,0,0,0|3,0,0]=3 760 B9R0.46 COC(=O)CCSCSC 62a_100000204255_100011218213 [0,0,0,0,0,0|3,0,0]=3 761 B9R0.46 COC(=O)CCSCSC 62a_100011218213_100000204255 [0,0,0,0,0,0|3,0,0]=3 762 B9R0.46 COC(=O)CNCCCF 2230a_100015189416_100000747449 [0,0,0,0,0,0|3,0,0]=3 763 B9R0.46 COC(=O)CNCCCF 34a_100015189416_100000747449 [0,0,0,0,0,0|3,0,0]=3 764 B9R0.46 COC(=O)CNCCSC 2230a_100020590264_100000747449 [0,0,0,0,0,0|3,0,0]=3 765 B9R0.46 COC(=O)COCCCBr 34a_100011217188_100000747449 [0,0,0,0,0,0|3,0,0]=3 766 B9R0.46 COC(=O)COCCCCl 34a_100000230001_100000747449 [0,0,0,0,0,0|3,0,0]=3 767 B9R0.46 COC(=O)COCCCF 34a_100000759539_100000747449 [0,0,0,0,0,0|3,0,0]=3 768 B9R0.46 COC(=O)COCCCN 34a_100000182051_100000747449 [0,0,0,0,0,0|3,0,0]=3 769 B9R0.46 COC(=O)COCCON 34a_100000700252_100000747449 [0,0,0,0,0,0|4,0,0]=4 770 B9R0.46 COC(=O)COCCSC 34a_100000230434_100000747449 [0,0,0,0,0,0|3,0,0]=3 771 B9R0.46 COC(=O)COCCSC 62a_100000090808_200000210301 [0,0,0,0,0,0|3,0,0]=3 772 B9R0.46 COC(=O)COCCSC 62a_200000210301_100000090808 [0,0,0,0,0,0|3,0,0]=3 773 B9R0.46 COC(=O)COCCSC 7a_100000230434_100000747449 [0,0,0,0,0,0|3,0,0]=3 774 B9R0.46 COC(=O)COCCS[13CH3] 62a_100000090808_200025704644 [0,0,0,0,0,0|3,0,0]=3 775 B9R0.46 COC(=O)COCCS[13CH3] 62a_200025704644_100000090808 [0,0,0,0,0,0|3,0,0]=3 776 B9R0.46 COC(=O)CSCCC#N 62a_100000747449_100011215226 [0,0,0,0,0,0|3,0,1]=4 777 B9R0.46 COC(=O)CSCCC#N 62a_100011215226_100000747449 [0,0,0,0,0,0|3,0,1]=4 778 B9R0.46 COC(=O)CSCCCF 62a_100000747449_100011934791 [0,0,0,0,0,0|3,0,0]=3 779 B9R0.46 COC(=O)CSCCCF 62a_100011934791_100000747449 [0,0,0,0,0,0|3,0,0]=3 780 B9R0.46 COC(=O)CSCCCO 62a_100000747449_100011215043 [0,0,0,0,0,0|3,0,0]=3 781 B9R0.46 COC(=O)CSCCCO 62a_100011215043_100000747449 [0,0,0,0,0,0|3,0,0]=3 782 B9R0.46 COC(=O)CSCCSC 62a_100000212216_100000747449 [0,0,0,0,0,0|3,0,0]=3 783 B9R0.46 COC(=O)CSCCSC 62a_100000747449_100000751147 [0,0,0,0,0,0|3,0,0]=3 784 B9R0.46 COC(=O)NCCOCF 34a_100000757965_100015361967 [0,0,0,0,0,0|4,0,0]=4 785 B9R0.46 COC(=O)OCCOCF 34a_100010262106_100015361967 [0,0,0,0,0,0|4,0,0]=4 786 B9R0.46 COC(=O)OCSCCF 62a_100011217306_100000139417 [0,0,0,0,0,0|4,0,0]=4 787 B9R0.46 COC(=O)OCSCCO 62a_100000211926_100000139417 [0,0,0,0,0,0|4,0,0]=4 788 B9R0.46 COC(=O)OCSCSC 62a_100011218213_100000139417 [0,0,0,0,0,0|4,0,0]=4 789 B9R0.46 COCCCCC(=O)CO 1458a_100000210174_100000755781 [0,0,0,0,0,0|2,0,0]=2 790 B9R0.46 COCCCCC(=O)OC 34a_100000059025_200000210301 [0,0,0,0,0,0|2,0,0]=2 791 B9R0.46 COCCCCC(=O)OC 34a_100138415774_100000204269 [0,0,0,0,0,0|2,0,0]=2 792 B9R0.46 COCCCCC(=O)OC 7a_100000059025_200000210301 [0,0,0,0,0,0|2,0,0]=2 793 B9R0.46 COCCCNC(=O)CO 240690a_100150723488_100000210174 [0,0,0,0,0,0|3,0,0]=3 794 B9R0.46 COCCCNC(=O)CO 527a_100150723488_100000210174 [0,0,0,0,0,0|3,0,0]=3 795 B9R0.46 COCCNCC(=O)OC 2230a_100000209980_100000747449 [0,0,0,0,0,0|3,0,0]=3 796 B9R0.46 COCCNNC(=O)CO 22a_100000741390_100000210174 [0,0,0,0,0,0|4,0,0]=4 797 B9R0.46 COCCOCC(=O)CF 1458a_100000211095_100015361967 [0,0,0,0,0,0|3,0,0]=3 798 B9R0.46 COCCOCC(=O)OC 34a_100000210237_100000747449 [0,0,0,0,0,0|3,0,0]=3 799 B9R0.46 COCCOCC(=O)OC 34a_100138415774_100000090808 [0,0,0,0,0,0|3,0,0]=3 800 B9R0.46 COCCSCC(=O)OC 62a_100000233755_100000747449 [0,0,0,0,0,0|3,0,0]=3 801 B9R0.46 COCCSCC(=O)OC 62a_100000747449_100000233755 [0,0,0,0,0,0|3,0,0]=3 802 B9R0.46 COCSCCC(=O)OC 62a_100000204255_100000766300 [0,0,0,0,0,0|3,0,0]=3 803 B9R0.46 COCSCCC(=O)OC 62a_100000766300_100000204255 [0,0,0,0,0,0|3,0,0]=3 804 B9R0.46 COCSCOC(=O)OC 62a_100000766300_100000139417 [0,0,0,0,0,0|4,0,0]=4 805 B9R0.46 CSCCCNC(=O)CO 240690a_100000749238_100000210174 [0,0,0,0,0,0|3,0,0]=3 806 B9R0.46 CSCCCNC(=O)CO 527a_100000749238_100000210174 [0,0,0,0,0,0|3,0,0]=3 807 B9R0.46 N#CCCCCC(=O)CO 1458a_100000210174_100000211819 [0,0,0,0,0,0|2,0,1]=3 808 B9R0.46 N#CCOCCC(=O)CO 1458a_100000210174_200000047693 [0,0,0,0,0,0|3,0,1]=4 809 B9R0.46 NNC(=O)CCCOCF 34a_100000211488_100015361967 [0,0,0,0,0,0|4,0,0]=4 810 B9R0.46 O=C(CF)CCCCCO 1458a_100102619762_100015361967 [0,0,0,0,0,0|2,0,0]=2 811 B9R0.46 O=C(CF)CCOCCO 1458a_100011229844_100015361967 [0,0,0,0,0,0|3,0,0]=3 812 B9R0.46 O=C(CO)CCCCCF 1458a_100000210174_100000729378 [0,0,0,0,0,0|2,0,0]=2 813 B9R0.46 O=C(CO)CCCCCO 1458a_100000210174_100000746330 [0,0,0,0,0,0|2,0,0]=2 814 B9R0.46 O=C(CO)CCOCCO 1458a_100000210174_100011215305 [0,0,0,0,0,0|3,0,0]=3 815 B9R0.46 O=C(CO)NCCCCO 240690a_100000750430_100000210174 [0,0,0,0,0,0|3,0,0]=3 816 B9R0.46 O=C(CO)NCCCCO 527a_100000750430_100000210174 [0,0,0,0,0,0|3,0,0]=3 817 B9R0.46 [N-]=[N+]=NCCCC(=O)CF 1458a_100010262590_100015361967 [0,0,0,0,0,0|4,0,0]=4 818 B8R0.4 C#CCCCCNCC 2230a_100000706060_100000210202 [1,0,0,0,0,0|1,0,2]=4 819 B8R0.4 C#CCCCCNCC 2230a_100015525214_100010269958 [1,0,0,0,0,0|1,0,2]=4 820 B8R0.4 C#CCCCCNCC 34a_100000706060_100000210202 [1,0,0,0,0,0|1,0,2]=4 821 B8R0.4 C#CCCCCOCC 34a_100000766709_100000210202 [1,0,0,0,0,0|1,0,2]=4 822 B8R0.4 C#CCCCCOCC 34a_100121572206_100010269958 [1,0,0,0,0,0|1,0,2]=4 823 B8R0.4 C#CCCCCOCC 7a_100000766709_100000210202 [1,0,0,0,0,0|1,0,2]=4 824 B8R0.4 C#CCCCCSCC 62a_100000210202_100010269958 [1,0,0,0,0,0|1,0,2]=4 825 B8R0.4 C#CCCCCSCC 62a_100010269958_100000210202 [1,0,0,0,0,0|1,0,2]=4 826 B8R0.4 C/C=C/CCOCCC 34a_100016278192_100000210303 [1,0,0,0,0,0|1,0,1]=3 827 B8R0.4 C/C=C/CCOCCF 34a_100016278192_100011217306 [1,0,0,0,0,0|2,0,1]=4 828 B8R0.4 C/C=C/CCOCCO 34a_100016278192_100000211926 [1,0,0,0,0,0|2,0,1]=4 829 B8R0.4 C/C=C/CCOCSC 34a_100016278192_100011218213 [1,0,0,0,0,0|2,0,1]=4 830 B8R0.4 C/C=C/CNCCCC 7a_106832991798_100102629194 [1,0,0,0,0,0|1,0,1]=3 831 B8R0.4 C/C=C/CNCCCF 34a_100015189416_100102629194 [1,0,0,0,0,0|2,0,1]=4 832 B8R0.4 C/C=C/COCCCBr 34a_100011217188_100102629194 [1,0,0,0,0,0|2,0,1]=4 833 B8R0.4 C/C=C/COCCCC 34a_100000210227_100102629194 [1,0,0,0,0,0|1,0,1]=3 834 B8R0.4 C/C=C/COCCCC 34a_100016270725_100000210210 [1,0,0,0,0,0|1,0,1]=3 835 B8R0.4 C/C=C/COCCCC 7a_100000210227_100102629194 [1,0,0,0,0,0|1,0,1]=3 836 B8R0.4 C/C=C/COCCCCl 34a_100000230001_100102629194 [1,0,0,0,0,0|2,0,1]=4 837 B8R0.4 C/C=C/COCCCF 34a_100000759539_100102629194 [1,0,0,0,0,0|2,0,1]=4 838 B8R0.4 C/C=C/COCCCF 34a_100016270725_100011934791 [1,0,0,0,0,0|2,0,1]=4 839 B8R0.4 C/C=C/COCCCN 34a_100000182051_100102629194 [1,0,0,0,0,0|2,0,1]=4 840 B8R0.4 C/C=C/COCCCO 34a_100016270725_100000230001 [1,0,0,0,0,0|2,0,1]=4 841 B8R0.4 C/C=C/COCCOC 34a_100000210237_100102629194 [1,0,0,0,0,0|2,0,1]=4 842 B8R0.4 C/C=C/COCCOC 34a_100016270725_100011201679 [1,0,0,0,0,0|2,0,1]=4 843 B8R0.4 C/C=C/COCCSC 34a_100000230434_100102629194 [1,0,0,0,0,0|2,0,1]=4 844 B8R0.4 C/C=C/COCCSC 34a_100016270725_100000212216 [1,0,0,0,0,0|2,0,1]=4 845 B8R0.4 C/C=C/COCCSC 7a_100000230434_100102629194 [1,0,0,0,0,0|2,0,1]=4 846 B8R0.4 C/C=C/CSCCCC 62a_100000210211_100102629194 [1,0,0,0,0,0|1,0,1]=3 847 B8R0.4 C/C=C/CSCCCC 62a_100102629194_100000210210 [1,0,0,0,0,0|1,0,1]=3 848 B8R0.4 C/C=C/CSCCCF 62a_100011934791_100102629194 [1,0,0,0,0,0|2,0,1]=4 849 B8R0.4 C/C=C/CSCCCF 62a_100102629194_100011934791 [1,0,0,0,0,0|2,0,1]=4 850 B8R0.4 C/C=C/CSCCCO 62a_100011215043_100102629194 [1,0,0,0,0,0|2,0,1]=4 851 B8R0.4 C/C=C/CSCCCO 62a_100102629194_100011215043 [1,0,0,0,0,0|2,0,1]=4 852 B8R0.4 C/C=C/CSCCOC 62a_100000233755_100102629194 [1,0,0,0,0,0|2,0,1]=4 853 B8R0.4 C/C=C/CSCCOC 62a_100102629194_100000233755 [1,0,0,0,0,0|2,0,1]=4 854 B8R0.4 C/C=C/CSCCSC 62a_100000212216_100102629194 [1,0,0,0,0,0|2,0,1]=4 855 B8R0.4 C/C=C/CSCCSC 62a_100102629194_100000751147 [1,0,0,0,0,0|2,0,1]=4 856 B8R0.4 C/C=C/CSCOCC 62a_100000739092_100102629194 [1,0,0,0,0,0|2,0,1]=4 857 B8R0.4 C/C=C/CSCOCC 62a_100102629194_100000739092 [1,0,0,0,0,0|2,0,1]=4 858 B8R0.4 C=CCCCCNCC 2230a_100000703577_100000210202 [1,0,0,0,0,0|1,0,2]=4 859 B8R0.4 C=CCCCCNCC 2230a_100015525214_100011215482 [1,0,0,0,0,0|1,0,2]=4 860 B8R0.4 C=CCCCCNCC 34a_100000703577_100000210202 [1,0,0,0,0,0|1,0,2]=4 861 B8R0.4 C=CCCCCOCC 34a_100000766645_100000210202 [1,0,0,0,0,0|1,0,2]=4 862 B8R0.4 C=CCCCCOCC 34a_100121572206_100011215482 [1,0,0,0,0,0|1,0,2]=4 863 B8R0.4 C=CCCCCOCC 7a_100000766645_100000210202 [1,0,0,0,0,0|1,0,2]=4 864 B8R0.4 C=CCCCCSCC 62a_100000210202_100011215482 [1,0,0,0,0,0|1,0,2]=4 865 B8R0.4 C=CCCCCSCC 62a_100011215482_100000210202 [1,0,0,0,0,0|1,0,2]=4 866 B8R0.4 CC#CCCOCCC 34a_100000750427_100000210303 [1,0,0,0,0,0|1,0,2]=4 867 B8R0.4 CC#CCNCCCC 2230a_100000102301_100000748600 [1,0,0,0,0,0|1,0,2]=4 868 B8R0.4 CC#CCNCCCC 2230a_100000685387_100000210211 [1,0,0,0,0,0|1,0,2]=4 869 B8R0.4 CC#CCNCCCC 34a_100000685387_100000210210 [1,0,0,0,0,0|1,0,2]=4 870 B8R0.4 CC#CCNCCCC 7a_106832991798_100000748600 [1,0,0,0,0,0|1,0,2]=4 871 B8R0.4 CC#CCOCCCC 34a_100000210227_100000748600 [1,0,0,0,0,0|1,0,2]=4 872 B8R0.4 CC#CCOCCCC 34a_100000761923_100000210210 [1,0,0,0,0,0|1,0,2]=4 873 B8R0.4 CC#CCOCCCC 7a_100000210227_100000748600 [1,0,0,0,0,0|1,0,2]=4 874 B8R0.4 CC#CCSCCCC 62a_100000210211_100000748600 [1,0,0,0,0,0|1,0,2]=4 875 B8R0.4 CC#CCSCCCC 62a_100000748600_100000210210 [1,0,0,0,0,0|1,0,2]=4 876 B8R0.4 CC/C=C/CCCOC 34a_100016287902_200000210301 [1,0,0,0,0,0|1,0,1]=3 877 B8R0.4 CC/C=C/CCCOC 7a_100016287902_200000210301 [1,0,0,0,0,0|1,0,1]=3 878 B8R0.4 CC/C=C/CCCO[13CH3] 34a_100016287902_200025704644 [1,0,0,0,0,0|1,0,1]=3 879 B8R0.4 CC/C=C/CCCO[13CH3] 7a_100016287902_200025704644 [1,0,0,0,0,0|1,0,1]=3 880 B8R0.4 CC/C=C\CCNCC 2230a_100015525214_100015370543 [1,0,0,0,0,0|1,0,1]=3 881 B8R0.4 CC/C=C\CCOCC 34a_100016288707_100000210202 [1,0,0,0,0,0|1,0,1]=3 882 B8R0.4 CC/C=C\CCOCC 34a_100121572206_100015370543 [1,0,0,0,0,0|1,0,1]=3 883 B8R0.4 CC/C=C\CCOCC 7a_100016288707_100000210202 [1,0,0,0,0,0|1,0,1]=3 884 B8R0.4 CC/C=C\CCOCF 34a_100016288707_100015361967 [1,0,0,0,0,0|2,0,1]=4 885 B8R0.4 CC/C=C\CCOCF 7a_100016288707_100015361967 [1,0,0,0,0,0|2,0,1]=4 886 B8R0.4 CC/C=C\CCSCC 62a_100000210202_100015370543 [1,0,0,0,0,0|1,0,1]=3 887 B8R0.4 CC/C=C\CCSCC 62a_100015370543_100000210202 [1,0,0,0,0,0|1,0,1]=3 888 B8R0.4 CC/C=C\CCSCF 62a_100015361967_100015370543 [1,0,0,0,0,0|2,0,1]=4 889 B8R0.4 CC/C=C\CCSCF 62a_100015370543_100015361967 [1,0,0,0,0,0|2,0,1]=4 890 B8R0.4 CC/C=C\CNCCF 34a_100000724931_100103147603 [1,0,0,0,0,0|2,0,1]=4 891 B8R0.4 CC/C=C\CNCCO 2230a_100016997473_100103147603 [1,0,0,0,0,0|2,0,1]=4 892 B8R0.4 CC/C=C\CNCCO 34a_100016990907_100103147603 [1,0,0,0,0,0|2,0,1]=4 893 B8R0.4 CC/C=C\COCCBr 34a_100000211926_100103147603 [1,0,0,0,0,0|2,0,1]=4 894 B8R0.4 CC/C=C\COCCC 34a_100000210258_100103147603 [1,0,0,0,0,0|1,0,1]=3 895 B8R0.4 CC/C=C\COCCC 34a_100016268518_100000210303 [1,0,0,0,0,0|1,0,1]=3 896 B8R0.4 CC/C=C\COCCF 34a_100016268518_100011217306 [1,0,0,0,0,0|2,0,1]=4 897 B8R0.4 CC/C=C\COCCN 34a_100000210304_100103147603 [1,0,0,0,0,0|2,0,1]=4 898 B8R0.4 CC/C=C\COCCO 34a_100016268518_100000211926 [1,0,0,0,0,0|2,0,1]=4 899 B8R0.4 CC/C=C\COCSC 34a_100016268518_100011218213 [1,0,0,0,0,0|2,0,1]=4 900 B8R0.4 CC/C=C\CSCCC 62a_100000210303_100103147603 [1,0,0,0,0,0|1,0,1]=3 901 B8R0.4 CC/C=C\CSCCC 62a_100103147603_100000210303 [1,0,0,0,0,0|1,0,1]=3 902 B8R0.4 CC/C=C\CSCCF 62a_100011217306_100103147603 [1,0,0,0,0,0|2,0,1]=4 903 B8R0.4 CC/C=C\CSCCF 62a_100103147603_100011217306 [1,0,0,0,0,0|2,0,1]=4 904 B8R0.4 CC/C=C\CSCCO 62a_100000211926_100103147603 [1,0,0,0,0,0|2,0,1]=4 905 B8R0.4 CC/C=C\CSCCO 62a_100103147603_100000211926 [1,0,0,0,0,0|2,0,1]=4 906 B8R0.4 CC/C=C\CSCOC 62a_100000766300_100103147603 [1,0,0,0,0,0|2,0,1]=4 907 B8R0.4 CC/C=C\CSCOC 62a_100103147603_100000766300 [1,0,0,0,0,0|2,0,1]=4 908 B8R0.4 CC/C=C\CSCSC 62a_100011218213_100103147603 [1,0,0,0,0,0|2,0,1]=4 909 B8R0.4 CC/C=C\CSCSC 62a_100103147603_100011218213 [1,0,0,0,0,0|2,0,1]=4 910 B8R0.4 CC=CCCCOCC 34a_100020645299_100000210202 [1,0,0,0,0,0|1,0,1]=3 911 B8R0.4 CC=CCCCOCF 34a_100020645299_100015361967 [1,0,0,0,0,0|2,0,1]=4 912 B8R0.4 CC=CCNCCCC 2230a_100000102301_100000070051 [1,0,0,0,0,0|1,0,1]=3 913 B8R0.4 CC=CCNCCCC 7a_106832991798_100000070051 [1,0,0,0,0,0|1,0,1]=3 914 B8R0.4 CC=CCNCCCF 2230a_100015189416_100000070051 [1,0,0,0,0,0|2,0,1]=4 915 B8R0.4 CC=CCNCCCF 34a_100015189416_100000070051 [1,0,0,0,0,0|2,0,1]=4 916 B8R0.4 CC=CCNCCOC 2230a_100000209980_100000070051 [1,0,0,0,0,0|2,0,1]=4 917 B8R0.4 CC=CCNCCSC 2230a_100020590264_100000070051 [1,0,0,0,0,0|2,0,1]=4 918 B8R0.4 CC=CCOCCCBr 34a_100011217188_100000070051 [1,0,0,0,0,0|2,0,1]=4 919 B8R0.4 CC=CCOCCCC 34a_100000210227_100000070051 [1,0,0,0,0,0|1,0,1]=3 920 B8R0.4 CC=CCOCCCC 7a_100000210227_100000070051 [1,0,0,0,0,0|1,0,1]=3 921 B8R0.4 CC=CCOCCCCl 34a_100000230001_100000070051 [1,0,0,0,0,0|2,0,1]=4 922 B8R0.4 CC=CCOCCCF 34a_100000759539_100000070051 [1,0,0,0,0,0|2,0,1]=4 923 B8R0.4 CC=CCOCCCN 34a_100000182051_100000070051 [1,0,0,0,0,0|2,0,1]=4 924 B8R0.4 CC=CCOCCOC 34a_100000210237_100000070051 [1,0,0,0,0,0|2,0,1]=4 925 B8R0.4 CC=CCOCCSC 34a_100000230434_100000070051 [1,0,0,0,0,0|2,0,1]=4 926 B8R0.4 CC=CCOCCSC 7a_100000230434_100000070051 [1,0,0,0,0,0|2,0,1]=4 927 B8R0.4 CC=CCSCCCC 62a_100000070051_100000210210 [1,0,0,0,0,0|1,0,1]=3 928 B8R0.4 CC=CCSCCCC 62a_100000210211_100000070051 [1,0,0,0,0,0|1,0,1]=3 929 B8R0.4 CC=CCSCCCF 62a_100000070051_100011934791 [1,0,0,0,0,0|2,0,1]=4 930 B8R0.4 CC=CCSCCCF 62a_100011934791_100000070051 [1,0,0,0,0,0|2,0,1]=4 931 B8R0.4 CC=CCSCCCO 62a_100000070051_100011215043 [1,0,0,0,0,0|2,0,1]=4 932 B8R0.4 CC=CCSCCCO 62a_100011215043_100000070051 [1,0,0,0,0,0|2,0,1]=4 933 B8R0.4 CC=CCSCCOC 62a_100000070051_100000233755 [1,0,0,0,0,0|2,0,1]=4 934 B8R0.4 CC=CCSCCOC 62a_100000233755_100000070051 [1,0,0,0,0,0|2,0,1]=4 935 B8R0.4 CC=CCSCCSC 62a_100000070051_100000751147 [1,0,0,0,0,0|2,0,1]=4 936 B8R0.4 CC=CCSCCSC 62a_100000212216_100000070051 [1,0,0,0,0,0|2,0,1]=4 937 B8R0.4 CC=CCSCOCC 62a_100000070051_100000739092 [1,0,0,0,0,0|2,0,1]=4 938 B8R0.4 CC=CCSCOCC 62a_100000739092_100000070051 [1,0,0,0,0,0|2,0,1]=4 939 B8R0.4 CC=NNCCCCC 4a_100000694160_200000210099 [1,0,0,0,0,0|2,0,1]=4 940 B8R0.4 CCC#CCCOCC 34a_100000036655_100000210202 [1,0,0,0,0,0|1,0,2]=4 941 B8R0.4 CCC#CCCOCC 7a_100000036655_100000210202 [1,0,0,0,0,0|1,0,2]=4 942 B8R0.4 CCC#CCOCCC 34a_100000032950_100000210303 [1,0,0,0,0,0|1,0,2]=4 943 B8R0.4 CCC#CCOCCC 34a_100000210258_100009813939 [1,0,0,0,0,0|1,0,2]=4 944 B8R0.4 CCC#CCSCCC 62a_100000210303_100009813939 [1,0,0,0,0,0|1,0,2]=4 945 B8R0.4 CCC#CCSCCC 62a_100009813939_100000210303 [1,0,0,0,0,0|1,0,2]=4 946 B8R0.4 CCC/C=C/COCC 34a_100016278788_100000210202 [1,0,0,0,0,0|1,0,2]=4 947 B8R0.4 CCC/C=C/COCC 7a_100016278788_100000210202 [1,0,0,0,0,0|1,0,2]=4 948 B8R0.4 CCC=NNCCCC 4a_100025702795_100000210100 [1,0,0,0,0,0|2,0,0]=3 949 B8R0.4 CCCC#CCOCC 34a_100000034806_100000210202 [1,0,0,0,0,0|1,0,2]=4 950 B8R0.4 CCCC#CCOCC 7a_100000034806_100000210202 [1,0,0,0,0,0|1,0,2]=4 951 B8R0.4 CCCCC=NNCC 4a_100000756455_100000210104 [1,0,0,0,0,0|2,0,1]=4 952 B8R0.4 CCCCCCCNC 2230a_100000229938_200000210301 [1,0,0,0,0,0|1,0,1]=3 953 B8R0.4 CCCCCCCNC 2230a_106832991635_100000210681 [1,0,0,0,0,0|1,0,1]=3 954 B8R0.4 CCCCCCCNC 34a_100102657272_100000210614 [1,0,0,0,0,0|1,0,1]=3 955 B8R0.4 CCCCCCCNC 7a_106832991635_100000210614 [1,0,0,0,0,0|1,0,1]=3 956 B8R0.4 CCCCCCCN[13CH3] 2230a_100000229938_200025704644 [1,0,0,0,0,0|1,0,1]=3 957 B8R0.4 CCCCCCCOC 34a_100000210272_200000210301 [1,0,0,0,0,0|1,0,1]=3 958 B8R0.4 CCCCCCCOC 34a_100138415774_100000210614 [1,0,0,0,0,0|1,0,1]=3 959 B8R0.4 CCCCCCCOC 7a_100000210272_200000210301 [1,0,0,0,0,0|1,0,1]=3 960 B8R0.4 CCCCCCCO[13CH3] 34a_100000210272_200025704644 [1,0,0,0,0,0|1,0,1]=3 961 B8R0.4 CCCCCCCO[13CH3] 7a_100000210272_200025704644 [1,0,0,0,0,0|1,0,1]=3 962 B8R0.4 CCCCCCCSC 62a_100000210614_200000210301 [1,0,0,0,0,0|1,0,1]=3 963 B8R0.4 CCCCCCCSC 62a_200000210301_100000210316 [1,0,0,0,0,0|1,0,1]=3 964 B8R0.4 CCCCCCCS[13CH3] 62a_100000210614_200025704644 [1,0,0,0,0,0|1,0,1]=3 965 B8R0.4 CCCCCCCS[13CH3] 62a_200025704644_100000210316 [1,0,0,0,0,0|1,0,1]=3 966 B8R0.4 CCCCCCNCC 2230a_100000210581_100000210202 [1,0,0,0,0,0|1,0,0]=2 967 B8R0.4 CCCCCCNCC 2230a_100015525214_100000210314 [1,0,0,0,0,0|1,0,0]=2 968 B8R0.4 CCCCCCOCC 34a_100000210259_100000210202 [1,0,0,0,0,0|1,0,0]=2 969 B8R0.4 CCCCCCOCC 34a_100121572206_100000210314 [1,0,0,0,0,0|1,0,0]=2 970 B8R0.4 CCCCCCOCC 7a_100000210259_100000210202 [1,0,0,0,0,0|1,0,0]=2 971 B8R0.4 CCCCCCOCF 34a_100000210259_100015361967 [1,0,0,0,0,0|2,0,0]=3 972 B8R0.4 CCCCCCOCF 7a_100000210259_100015361967 [1,0,0,0,0,0|2,0,0]=3 973 B8R0.4 CCCCCCSCC 62a_100000210202_100000210757 [1,0,0,0,0,0|1,0,0]=2 974 B8R0.4 CCCCCCSCC 62a_100000210314_100000210202 [1,0,0,0,0,0|1,0,0]=2 975 B8R0.4 CCCCCCSCF 62a_100000210314_100015361967 [1,0,0,0,0,0|2,0,0]=3 976 B8R0.4 CCCCCCSCF 62a_100015361967_100000210757 [1,0,0,0,0,0|2,0,0]=3 977 B8R0.4 CCCCCNCCC 2230a_100000209983_100000210303 [1,0,0,0,0,0|1,0,1]=3 978 B8R0.4 CCCCCNCCF 2230a_100000209983_100011217306 [1,0,0,0,0,0|2,0,1]=4 979 B8R0.4 CCCCCNCCF 34a_100000724931_100000718602 [1,0,0,0,0,0|2,0,1]=4 980 B8R0.4 CCCCCNCCO 2230a_100000209983_100000211926 [1,0,0,0,0,0|2,0,1]=4 981 B8R0.4 CCCCCNCCO 2230a_100016997473_100000210326 [1,0,0,0,0,0|2,0,1]=4 982 B8R0.4 CCCCCNCCO 34a_100016990907_100000718602 [1,0,0,0,0,0|2,0,1]=4 983 B8R0.4 CCCCCNCOC 2230a_100000209983_100000766300 [1,0,0,0,0,0|2,0,1]=4 984 B8R0.4 CCCCCNCSC 2230a_100000209983_100011218213 [1,0,0,0,0,0|2,0,1]=4 985 B8R0.4 CCCCCOCCBr 34a_100000211926_100000718602 [1,0,0,0,0,0|2,0,1]=4 986 B8R0.4 CCCCCOCCC 34a_100000210253_100000210303 [1,0,0,0,0,0|1,0,1]=3 987 B8R0.4 CCCCCOCCC 34a_100000210258_100000718602 [1,0,0,0,0,0|1,0,1]=3 988 B8R0.4 CCCCCOCCC 7a_100000210253_100000210303 [1,0,0,0,0,0|1,0,1]=3 989 B8R0.4 CCCCCOCCF 34a_100000210253_100011217306 [1,0,0,0,0,0|2,0,1]=4 990 B8R0.4 CCCCCOCCF 7a_100000210253_100011217306 [1,0,0,0,0,0|2,0,1]=4 991 B8R0.4 CCCCCOCCN 34a_100000210304_100000718602 [1,0,0,0,0,0|2,0,1]=4 992 B8R0.4 CCCCCOCCO 34a_100000210253_100000211926 [1,0,0,0,0,0|2,0,1]=4 993 B8R0.4 CCCCCOCCO 7a_100000210253_100000211926 [1,0,0,0,0,0|2,0,1]=4 994 B8R0.4 CCCCCOCSC 34a_100000210253_100011218213 [1,0,0,0,0,0|2,0,1]=4 995 B8R0.4 CCCCCSCCC 62a_100000210303_100000210326 [1,0,0,0,0,0|1,0,1]=3 996 B8R0.4 CCCCCSCCC 62a_100000210326_100000210303 [1,0,0,0,0,0|1,0,1]=3 997 B8R0.4 CCCCCSCCF 62a_100000210326_100011217306 [1,0,0,0,0,0|2,0,1]=4 998 B8R0.4 CCCCCSCCF 62a_100011217306_100000210326 [1,0,0,0,0,0|2,0,1]=4 999 B8R0.4 CCCCCSCCO 62a_100000210326_100000211926 [1,0,0,0,0,0|2,0,1]=4 1000 B8R0.4 CCCCCSCCO 62a_100000211926_100000210326 [1,0,0,0,0,0|2,0,1]=4 1001 B8R0.4 CCCCCSCOC 62a_100000210326_100000766300 [1,0,0,0,0,0|2,0,1]=4 1002 B8R0.4 CCCCCSCOC 62a_100000766300_100000210326 [1,0,0,0,0,0|2,0,1]=4 1003 B8R0.4 CCCCCSCSC 62a_100000210326_100011218213 [1,0,0,0,0,0|2,0,1]=4 1004 B8R0.4 CCCCCSCSC 62a_100011218213_100000210326 [1,0,0,0,0,0|2,0,1]=4 1005 B8R0.4 CCCCNCCCC 2230a_100000102301_100000210211 [1,0,0,0,0,0|1,0,1]=3 1006 B8R0.4 CCCCNCCCC 7a_106832991798_100000210211 [1,0,0,0,0,0|1,0,1]=3 1007 B8R0.4 CCCCNCCCF 2230a_100000102301_100011934791 [1,0,0,0,0,0|2,0,1]=4 1008 B8R0.4 CCCCNCCCF 2230a_100015189416_100000210211 [1,0,0,0,0,0|2,0,1]=4 1009 B8R0.4 CCCCNCCCF 34a_100015189416_100000210210 [1,0,0,0,0,0|2,0,1]=4 1010 B8R0.4 CCCCNCCCF 7a_106832991798_100011934791 [1,0,0,0,0,0|2,0,1]=4 1011 B8R0.4 CCCCNCCCO 2230a_100000102301_100000230001 [1,0,0,0,0,0|2,0,1]=4 1012 B8R0.4 CCCCNCCCO 7a_106832991798_100011215043 [1,0,0,0,0,0|2,0,1]=4 1013 B8R0.4 CCCCNCCOC 2230a_100000102301_100011201679 [1,0,0,0,0,0|2,0,1]=4 1014 B8R0.4 CCCCNCCOC 2230a_100000209980_100000210211 [1,0,0,0,0,0|2,0,1]=4 1015 B8R0.4 CCCCNCCOC 7a_106832991798_100000233755 [1,0,0,0,0,0|2,0,1]=4 1016 B8R0.4 CCCCNCCSC 2230a_100000102301_100000751147 [1,0,0,0,0,0|2,0,1]=4 1017 B8R0.4 CCCCNCCSC 2230a_100020590264_100000210211 [1,0,0,0,0,0|2,0,1]=4 1018 B8R0.4 CCCCNCCSC 7a_106832991798_100000212216 [1,0,0,0,0,0|2,0,1]=4 1019 B8R0.4 CCCCOCCCBr 34a_100011217188_100000210210 [1,0,0,0,0,0|2,0,1]=4 1020 B8R0.4 CCCCOCCCC 34a_100000210227_100000210210 [1,0,0,0,0,0|1,0,1]=3 1021 B8R0.4 CCCCOCCCC 7a_100000210227_100000210211 [1,0,0,0,0,0|1,0,1]=3 1022 B8R0.4 CCCCOCCCCl 34a_100000230001_100000210210 [1,0,0,0,0,0|2,0,1]=4 1023 B8R0.4 CCCCOCCCF 34a_100000210227_100011934791 [1,0,0,0,0,0|2,0,1]=4 1024 B8R0.4 CCCCOCCCF 34a_100000759539_100000210210 [1,0,0,0,0,0|2,0,1]=4 1025 B8R0.4 CCCCOCCCF 7a_100000210227_100011934791 [1,0,0,0,0,0|2,0,1]=4 1026 B8R0.4 CCCCOCCCN 34a_100000182051_100000210210 [1,0,0,0,0,0|2,0,1]=4 1027 B8R0.4 CCCCOCCCO 34a_100000210227_100000230001 [1,0,0,0,0,0|2,0,1]=4 1028 B8R0.4 CCCCOCCCO 7a_100000210227_100011215043 [1,0,0,0,0,0|2,0,1]=4 1029 B8R0.4 CCCCOCCNC 2230a_106832991635_100000743108 [1,0,0,0,0,0|2,0,1]=4 1030 B8R0.4 CCCCOCCNC 34a_100102657272_100000743108 [1,0,0,0,0,0|2,0,1]=4 1031 B8R0.4 CCCCOCCNC 7a_106832991635_100000743108 [1,0,0,0,0,0|2,0,1]=4 1032 B8R0.4 CCCCOCCOC 34a_100000210227_100011201679 [1,0,0,0,0,0|2,0,1]=4 1033 B8R0.4 CCCCOCCOC 34a_100000210237_100000210210 [1,0,0,0,0,0|2,0,1]=4 1034 B8R0.4 CCCCOCCOC 34a_100000210238_200000210301 [1,0,0,0,0,0|2,0,1]=4 1035 B8R0.4 CCCCOCCOC 34a_100138415774_100000743108 [1,0,0,0,0,0|2,0,1]=4 1036 B8R0.4 CCCCOCCOC 7a_100000210227_100000233755 [1,0,0,0,0,0|2,0,1]=4 1037 B8R0.4 CCCCOCCOC 7a_100000210238_200000210301 [1,0,0,0,0,0|2,0,1]=4 1038 B8R0.4 CCCCOCCO[13CH3] 34a_100000210238_200025704644 [1,0,0,0,0,0|2,0,1]=4 1039 B8R0.4 CCCCOCCO[13CH3] 7a_100000210238_200025704644 [1,0,0,0,0,0|2,0,1]=4 1040 B8R0.4 CCCCOCCSC 34a_100000210227_100000212216 [1,0,0,0,0,0|2,0,1]=4 1041 B8R0.4 CCCCOCCSC 34a_100000230434_100000210210 [1,0,0,0,0,0|2,0,1]=4 1042 B8R0.4 CCCCOCCSC 62a_100000743108_200000210301 [1,0,0,0,0,0|2,0,1]=4 1043 B8R0.4 CCCCOCCSC 62a_200000210301_100000743108 [1,0,0,0,0,0|2,0,1]=4 1044 B8R0.4 CCCCOCCSC 7a_100000210227_100000212216 [1,0,0,0,0,0|2,0,1]=4 1045 B8R0.4 CCCCOCCSC 7a_100000230434_100000210211 [1,0,0,0,0,0|2,0,1]=4 1046 B8R0.4 CCCCOCCS[13CH3] 62a_100000743108_200025704644 [1,0,0,0,0,0|2,0,1]=4 1047 B8R0.4 CCCCOCCS[13CH3] 62a_200025704644_100000743108 [1,0,0,0,0,0|2,0,1]=4 1048 B8R0.4 CCCCOCNCC 2230a_100015525214_100011995733 [1,0,0,0,0,0|2,0,0]=3 1049 B8R0.4 CCCCOCOCC 34a_100121572206_100011995733 [1,0,0,0,0,0|2,0,0]=3 1050 B8R0.4 CCCCOCSCC 62a_100000210202_100011995733 [1,0,0,0,0,0|2,0,0]=3 1051 B8R0.4 CCCCOCSCC 62a_100011995733_100000210202 [1,0,0,0,0,0|2,0,0]=3 1052 B8R0.4 CCCCOCSCF 62a_100011995733_100015361967 [1,0,0,0,0,0|3,0,0]=4 1053 B8R0.4 CCCCOCSCF 62a_100015361967_100011995733 [1,0,0,0,0,0|3,0,0]=4 1054 B8R0.4 CCCCSCCCC 62a_100000210211_100000210210 [1,0,0,0,0,0|1,0,1]=3 1055 B8R0.4 CCCCSCCCF 62a_100000210211_100011934791 [1,0,0,0,0,0|2,0,1]=4 1056 B8R0.4 CCCCSCCCF 62a_100011934791_100000210210 [1,0,0,0,0,0|2,0,1]=4 1057 B8R0.4 CCCCSCCCO 62a_100000210211_100011215043 [1,0,0,0,0,0|2,0,1]=4 1058 B8R0.4 CCCCSCCCO 62a_100011215043_100000210210 [1,0,0,0,0,0|2,0,1]=4 1059 B8R0.4 CCCCSCCNC 2230a_100025743550_200000210301 [1,0,0,0,0,0|2,0,1]=4 1060 B8R0.4 CCCCSCCN[13CH3] 2230a_100025743550_200025704644 [1,0,0,0,0,0|2,0,1]=4 1061 B8R0.4 CCCCSCCOC 34a_200000230436_200000210301 [1,0,0,0,0,0|2,0,1]=4 1062 B8R0.4 CCCCSCCOC 62a_100000210211_100000233755 [1,0,0,0,0,0|2,0,1]=4 1063 B8R0.4 CCCCSCCOC 62a_100000233755_100000210210 [1,0,0,0,0,0|2,0,1]=4 1064 B8R0.4 CCCCSCCOC 7a_200000230436_200000210301 [1,0,0,0,0,0|2,0,1]=4 1065 B8R0.4 CCCCSCCO[13CH3] 34a_200000230436_200025704644 [1,0,0,0,0,0|2,0,1]=4 1066 B8R0.4 CCCCSCCO[13CH3] 7a_200000230436_200025704644 [1,0,0,0,0,0|2,0,1]=4 1067 B8R0.4 CCCCSCCSC 62a_100000210211_100000751147 [1,0,0,0,0,0|2,0,1]=4 1068 B8R0.4 CCCCSCCSC 62a_100000212216_100000210210 [1,0,0,0,0,0|2,0,1]=4 1069 B8R0.4 CCCCSCOCC 62a_100000210211_100000739092 [1,0,0,0,0,0|2,0,0]=3 1070 B8R0.4 CCCCSCOCC 62a_100000739092_100000210210 [1,0,0,0,0,0|2,0,0]=3 1071 B8R0.4 CCCNCCCCO 2230a_100000750430_100000210303 [1,0,0,0,0,0|2,0,1]=4 1072 B8R0.4 CCCNCCCCO 34a_100000750430_100000210303 [1,0,0,0,0,0|2,0,1]=4 1073 B8R0.4 CCCNCCCOC 34a_100150723488_100000210303 [1,0,0,0,0,0|2,0,1]=4 1074 B8R0.4 CCCNCCCSC 2230a_100000749238_100000210303 [1,0,0,0,0,0|2,0,1]=4 1075 B8R0.4 CCCNCCOCC 2230a_102516460346_100000210303 [1,0,0,0,0,0|2,0,0]=3 1076 B8R0.4 CCCNCCOCC 34a_102516460346_100000210303 [1,0,0,0,0,0|2,0,0]=3 1077 B8R0.4 CCCNCCSCC 2230a_100000106463_100000210303 [1,0,0,0,0,0|2,0,0]=3 1078 B8R0.4 CCCOCCCCBr 34a_100011216708_100000210303 [1,0,0,0,0,0|2,0,1]=4 1079 B8R0.4 CCCOCCCCCl 34a_100000210776_100000210303 [1,0,0,0,0,0|2,0,1]=4 1080 B8R0.4 CCCOCCCCCl 7a_100000210776_100000210303 [1,0,0,0,0,0|2,0,1]=4 1081 B8R0.4 CCCOCCCCF 34a_100000210258_100000729493 [1,0,0,0,0,0|2,0,1]=4 1082 B8R0.4 CCCOCCCCF 34a_100011995726_100000210303 [1,0,0,0,0,0|2,0,1]=4 1083 B8R0.4 CCCOCCCCF 7a_100011995726_100000210303 [1,0,0,0,0,0|2,0,1]=4 1084 B8R0.4 CCCOCCCCI 34a_200012148704_100000210303 [1,0,0,0,0,0|2,0,1]=4 1085 B8R0.4 CCCOCCCCN 34a_100000750430_100000210303 [1,0,0,0,0,0|2,0,1]=4 1086 B8R0.4 CCCOCCCCO 34a_100000210258_100011216708 [1,0,0,0,0,0|2,0,1]=4 1087 B8R0.4 CCCOCCCNC 2230a_100011217757_200000210301 [1,0,0,0,0,0|2,0,1]=4 1088 B8R0.4 CCCOCCCNC 34a_100000213112_100000210303 [1,0,0,0,0,0|2,0,1]=4 1089 B8R0.4 CCCOCCCNC 34a_100011217757_200000210301 [1,0,0,0,0,0|2,0,1]=4 1090 B8R0.4 CCCOCCCN[13CH3] 2230a_100011217757_200025704644 [1,0,0,0,0,0|2,0,1]=4 1091 B8R0.4 CCCOCCCN[13CH3] 34a_100011217757_200025704644 [1,0,0,0,0,0|2,0,1]=4 1092 B8R0.4 CCCOCCCOC 34a_100000210258_100000740836 [1,0,0,0,0,0|2,0,1]=4 1093 B8R0.4 CCCOCCCOC 34a_100000740835_100000210303 [1,0,0,0,0,0|2,0,1]=4 1094 B8R0.4 CCCOCCCSC 34a_100000690336_100000210303 [1,0,0,0,0,0|2,0,1]=4 1095 B8R0.4 CCCOCCCSC 7a_100000690336_100000210303 [1,0,0,0,0,0|2,0,1]=4 1096 B8R0.4 CCCOCCNCC 2230a_100015525214_100011215938 [1,0,0,0,0,0|2,0,0]=3 1097 B8R0.4 CCCOCCNCC 2230a_100161115042_100000210202 [1,0,0,0,0,0|2,0,0]=3 1098 B8R0.4 CCCOCCNCC 34a_100161115042_100000210202 [1,0,0,0,0,0|2,0,0]=3 1099 B8R0.4 CCCOCCNCF 34a_100161115042_100015361967 [1,0,0,0,0,0|3,0,0]=4 1100 B8R0.4 CCCOCCOCC 34a_100000210136_100000210303 [1,0,0,0,0,0|2,0,0]=3 1101 B8R0.4 CCCOCCOCC 34a_100000210258_100000210147 [1,0,0,0,0,0|2,0,0]=3 1102 B8R0.4 CCCOCCOCC 34a_100000752267_100000210202 [1,0,0,0,0,0|2,0,0]=3 1103 B8R0.4 CCCOCCOCC 34a_100121572206_100011215938 [1,0,0,0,0,0|2,0,0]=3 1104 B8R0.4 CCCOCCOCC 7a_100000210136_100000210303 [1,0,0,0,0,0|2,0,0]=3 1105 B8R0.4 CCCOCCOCC 7a_100000752267_100000210202 [1,0,0,0,0,0|2,0,0]=3 1106 B8R0.4 CCCOCCOCF 34a_100000752267_100015361967 [1,0,0,0,0,0|3,0,0]=4 1107 B8R0.4 CCCOCCOCF 7a_100000752267_100015361967 [1,0,0,0,0,0|3,0,0]=4 1108 B8R0.4 CCCOCCSCC 34a_100000210258_100000757381 [1,0,0,0,0,0|2,0,0]=3 1109 B8R0.4 CCCOCCSCC 34a_100000212035_100000210303 [1,0,0,0,0,0|2,0,0]=3 1110 B8R0.4 CCCOCCSCC 62a_100000210202_100011215938 [1,0,0,0,0,0|2,0,0]=3 1111 B8R0.4 CCCOCCSCC 62a_100011215938_100000210202 [1,0,0,0,0,0|2,0,0]=3 1112 B8R0.4 CCCOCCSCC 7a_100000212035_100000210303 [1,0,0,0,0,0|2,0,0]=3 1113 B8R0.4 CCCOCCSCF 62a_100011215938_100015361967 [1,0,0,0,0,0|3,0,0]=4 1114 B8R0.4 CCCOCCSCF 62a_100015361967_100011215938 [1,0,0,0,0,0|3,0,0]=4 1115 B8R0.4 CCCSCCCCF 62a_100000210303_100000729493 [1,0,0,0,0,0|2,0,1]=4 1116 B8R0.4 CCCSCCCCF 62a_100000729493_100000210303 [1,0,0,0,0,0|2,0,1]=4 1117 B8R0.4 CCCSCCCCO 62a_100000210303_100000210776 [1,0,0,0,0,0|2,0,1]=4 1118 B8R0.4 CCCSCCCCO 62a_100000210776_100000210303 [1,0,0,0,0,0|2,0,1]=4 1119 B8R0.4 CCCSCCCOC 62a_100000210303_100000709357 [1,0,0,0,0,0|2,0,1]=4 1120 B8R0.4 CCCSCCCOC 62a_100000709357_100000210303 [1,0,0,0,0,0|2,0,1]=4 1121 B8R0.4 CCCSCCNCC 2230a_100020603323_100000210202 [1,0,0,0,0,0|2,0,0]=3 1122 B8R0.4 CCCSCCOCC 34a_200000230433_100000210202 [1,0,0,0,0,0|2,0,0]=3 1123 B8R0.4 CCCSCCOCC 62a_100000210147_100000210303 [1,0,0,0,0,0|2,0,0]=3 1124 B8R0.4 CCCSCCOCC 62a_100000210303_100011215890 [1,0,0,0,0,0|2,0,0]=3 1125 B8R0.4 CCCSCCOCC 7a_200000230433_100000210202 [1,0,0,0,0,0|2,0,0]=3 1126 B8R0.4 CCCSCCOCF 34a_200000230433_100015361967 [1,0,0,0,0,0|3,0,0]=4 1127 B8R0.4 CCCSCCOCF 7a_200000230433_100015361967 [1,0,0,0,0,0|3,0,0]=4 1128 B8R0.4 CCCSCCSCC 62a_100000210303_100000757381 [1,0,0,0,0,0|2,0,0]=3 1129 B8R0.4 CCCSCCSCC 62a_100000757381_100000210303 [1,0,0,0,0,0|2,0,0]=3 1130 B8R0.4 CCNCCCCC#N 2230a_100015525214_100000211819 [1,0,0,0,0,0|2,0,1]=4 1131 B8R0.4 CCNCCCCC=O 2230a_100015525214_100000139335 [1,0,0,0,0,0|2,0,1]=4 1132 B8R0.4 CCNCCCCCF 2230a_100015525214_100000729378 [1,0,0,0,0,0|2,0,0]=3 1133 B8R0.4 CCNCCCCCO 2230a_100000762737_100000210202 [1,0,0,0,0,0|2,0,0]=3 1134 B8R0.4 CCNCCCCCO 2230a_100015525214_100000746330 [1,0,0,0,0,0|2,0,0]=3 1135 B8R0.4 CCNCCCCCO 34a_100000762737_100000210202 [1,0,0,0,0,0|2,0,0]=3 1136 B8R0.4 CCNCCCCOC 2230a_100015525214_100000730899 [1,0,0,0,0,0|2,0,0]=3 1137 B8R0.4 CCNCCCOCC 2230a_100000210961_100000210202 [1,0,0,0,0,0|2,0,0]=3 1138 B8R0.4 CCNCCCOCC 2230a_100015525214_100012232248 [1,0,0,0,0,0|2,0,0]=3 1139 B8R0.4 CCNCCCOCC 34a_100000210961_100000210202 [1,0,0,0,0,0|2,0,0]=3 1140 B8R0.4 CCNCCOCCO 2230a_100000211614_100000210202 [1,0,0,0,0,0|3,0,0]=4 1141 B8R0.4 CCNCCOCCO 2230a_100015525214_100011215305 [1,0,0,0,0,0|3,0,0]=4 1142 B8R0.4 CCNCCOCCO 34a_100000211614_100000210202 [1,0,0,0,0,0|3,0,0]=4 1143 B8R0.4 CCNCCSCCO 2230a_100011219999_100000210202 [1,0,0,0,0,0|3,0,0]=4 1144 B8R0.4 CCNCOCCOC 2230a_100015525214_100000231047 [1,0,0,0,0,0|3,0,0]=4 1145 B8R0.4 CCOCCCCCBr 34a_100000746331_100000210202 [1,0,0,0,0,0|2,0,0]=3 1146 B8R0.4 CCOCCCCCBr 7a_100000746331_100000210202 [1,0,0,0,0,0|2,0,0]=3 1147 B8R0.4 CCOCCCCCCl 34a_100000746330_100000210202 [1,0,0,0,0,0|2,0,0]=3 1148 B8R0.4 CCOCCCCCCl 7a_100000746330_100000210202 [1,0,0,0,0,0|2,0,0]=3 1149 B8R0.4 CCOCCCCCF 34a_100121572206_100000729378 [1,0,0,0,0,0|2,0,0]=3 1150 B8R0.4 CCOCCCCCI 34a_200012148887_100000210202 [1,0,0,0,0,0|2,0,0]=3 1151 B8R0.4 CCOCCCCCI 7a_200012148887_100000210202 [1,0,0,0,0,0|2,0,0]=3 1152 B8R0.4 CCOCCCCCN 34a_100000762737_100000210202 [1,0,0,0,0,0|2,0,0]=3 1153 B8R0.4 CCOCCCCCO 34a_100121572206_100000746330 [1,0,0,0,0,0|2,0,0]=3 1154 B8R0.4 CCOCCCCOC 34a_100000740925_100000210202 [1,0,0,0,0,0|2,0,0]=3 1155 B8R0.4 CCOCCCCOC 34a_100121572206_100000755781 [1,0,0,0,0,0|2,0,0]=3 1156 B8R0.4 CCOCCCCSC 34a_100011217163_100000210202 [1,0,0,0,0,0|2,0,0]=3 1157 B8R0.4 CCOCCCCSC 7a_100011217163_100000210202 [1,0,0,0,0,0|2,0,0]=3 1158 B8R0.4 CCOCCCNCF 34a_100000210961_100015361967 [1,0,0,0,0,0|3,0,0]=4 1159 B8R0.4 CCOCCCOCC 34a_100000757476_100000210202 [1,0,0,0,0,0|2,0,0]=3 1160 B8R0.4 CCOCCCOCC 34a_100121572206_100012232248 [1,0,0,0,0,0|2,0,0]=3 1161 B8R0.4 CCOCCCOCC 7a_100000757476_100000210202 [1,0,0,0,0,0|2,0,0]=3 1162 B8R0.4 CCOCCCOCF 34a_100000757476_100015361967 [1,0,0,0,0,0|3,0,0]=4 1163 B8R0.4 CCOCCCOCF 7a_100000757476_100015361967 [1,0,0,0,0,0|3,0,0]=4 1164 B8R0.4 CCOCCCSCC 34a_100011216438_100000210202 [1,0,0,0,0,0|2,0,0]=3 1165 B8R0.4 CCOCCCSCC 62a_100000210202_100012232248 [1,0,0,0,0,0|2,0,0]=3 1166 B8R0.4 CCOCCCSCC 62a_100012232248_100000210202 [1,0,0,0,0,0|2,0,0]=3 1167 B8R0.4 CCOCCCSCC 7a_100011216438_100000210202 [1,0,0,0,0,0|2,0,0]=3 1168 B8R0.4 CCOCCCSCF 62a_100012232248_100015361967 [1,0,0,0,0,0|3,0,0]=4 1169 B8R0.4 CCOCCCSCF 62a_100015361967_100012232248 [1,0,0,0,0,0|3,0,0]=4 1170 B8R0.4 CCOCCNCCF 2230a_102516460346_100011217306 [1,0,0,0,0,0|3,0,0]=4 1171 B8R0.4 CCOCCNCCF 34a_100000724931_100000210147 [1,0,0,0,0,0|3,0,0]=4 1172 B8R0.4 CCOCCNCCF 34a_102516460346_100011217306 [1,0,0,0,0,0|3,0,0]=4 1173 B8R0.4 CCOCCNCCO 2230a_100016997473_100011215890 [1,0,0,0,0,0|3,0,0]=4 1174 B8R0.4 CCOCCNCCO 2230a_102516460346_100000211926 [1,0,0,0,0,0|3,0,0]=4 1175 B8R0.4 CCOCCNCCO 34a_100016990907_100000210147 [1,0,0,0,0,0|3,0,0]=4 1176 B8R0.4 CCOCCNCCO 34a_102516460346_100000211926 [1,0,0,0,0,0|3,0,0]=4 1177 B8R0.4 CCOCCNCOC 2230a_102516460346_100000766300 [1,0,0,0,0,0|3,0,0]=4 1178 B8R0.4 CCOCCNCSC 2230a_102516460346_100011218213 [1,0,0,0,0,0|3,0,0]=4 1179 B8R0.4 CCOCCNCSC 34a_102516460346_100011218213 [1,0,0,0,0,0|3,0,0]=4 1180 B8R0.4 CCOCCOCCBr 34a_100000211926_100000210147 [1,0,0,0,0,0|3,0,0]=4 1181 B8R0.4 CCOCCOCCBr 34a_100000692535_100000210202 [1,0,0,0,0,0|3,0,0]=4 1182 B8R0.4 CCOCCOCCBr 7a_100000692535_100000210202 [1,0,0,0,0,0|3,0,0]=4 1183 B8R0.4 CCOCCOCCCl 34a_100011215305_100000210202 [1,0,0,0,0,0|3,0,0]=4 1184 B8R0.4 CCOCCOCCCl 7a_100011215305_100000210202 [1,0,0,0,0,0|3,0,0]=4 1185 B8R0.4 CCOCCOCCF 34a_100000210136_100011217306 [1,0,0,0,0,0|3,0,0]=4 1186 B8R0.4 CCOCCOCCF 34a_200015357709_100000210202 [1,0,0,0,0,0|3,0,0]=4 1187 B8R0.4 CCOCCOCCF 7a_100000210136_100011217306 [1,0,0,0,0,0|3,0,0]=4 1188 B8R0.4 CCOCCOCCF 7a_200015357709_100000210202 [1,0,0,0,0,0|3,0,0]=4 1189 B8R0.4 CCOCCOCCI 34a_100012149058_100000210202 [1,0,0,0,0,0|3,0,0]=4 1190 B8R0.4 CCOCCOCCI 7a_100012149058_100000210202 [1,0,0,0,0,0|3,0,0]=4 1191 B8R0.4 CCOCCOCCN 34a_100000210304_100000210147 [1,0,0,0,0,0|3,0,0]=4 1192 B8R0.4 CCOCCOCCN 34a_100000211614_100000210202 [1,0,0,0,0,0|3,0,0]=4 1193 B8R0.4 CCOCCOCCO 34a_100000210136_100000211926 [1,0,0,0,0,0|3,0,0]=4 1194 B8R0.4 CCOCCOCCO 34a_100121572206_100000692535 [1,0,0,0,0,0|3,0,0]=4 1195 B8R0.4 CCOCCOCCO 7a_100000210136_100000211926 [1,0,0,0,0,0|3,0,0]=4 1196 B8R0.4 CCOCCOCSC 34a_100000210136_100011218213 [1,0,0,0,0,0|3,0,0]=4 1197 B8R0.4 CCOCCSCCF 62a_100000210147_100011217306 [1,0,0,0,0,0|3,0,0]=4 1198 B8R0.4 CCOCCSCCF 62a_100011217306_100011215890 [1,0,0,0,0,0|3,0,0]=4 1199 B8R0.4 CCOCCSCCO 62a_100000210147_100000211926 [1,0,0,0,0,0|3,0,0]=4 1200 B8R0.4 CCOCCSCCO 62a_100000211926_100011215890 [1,0,0,0,0,0|3,0,0]=4 1201 B8R0.4 CCOCCSCOC 62a_100000210147_100000766300 [1,0,0,0,0,0|3,0,0]=4 1202 B8R0.4 CCOCCSCOC 62a_100000766300_100011215890 [1,0,0,0,0,0|3,0,0]=4 1203 B8R0.4 CCOCCSCSC 62a_100000210147_100011218213 [1,0,0,0,0,0|3,0,0]=4 1204 B8R0.4 CCOCCSCSC 62a_100011218213_100011215890 [1,0,0,0,0,0|3,0,0]=4 1205 B8R0.4 CCOCSCCCF 62a_100000739092_100011934791 [1,0,0,0,0,0|3,0,0]=4 1206 B8R0.4 CCOCSCCCF 62a_100011934791_100000739092 [1,0,0,0,0,0|3,0,0]=4 1207 B8R0.4 CCOCSCCCO 62a_100000739092_100011215043 [1,0,0,0,0,0|3,0,0]=4 1208 B8R0.4 CCOCSCCCO 62a_100011215043_100000739092 [1,0,0,0,0,0|3,0,0]=4 1209 B8R0.4 CCOCSCCOC 62a_100000233755_100000739092 [1,0,0,0,0,0|3,0,0]=4 1210 B8R0.4 CCOCSCCOC 62a_100000739092_100000233755 [1,0,0,0,0,0|3,0,0]=4 1211 B8R0.4 CCOCSCCSC 62a_100000212216_100000739092 [1,0,0,0,0,0|3,0,0]=4 1212 B8R0.4 CCOCSCCSC 62a_100000739092_100000751147 [1,0,0,0,0,0|3,0,0]=4 1213 B8R0.4 CCOCSCOCC 62a_100000739092_100000739092 [1,0,0,0,0,0|3,0,0]=4 1214 B8R0.4 CCSCCCCC#N 62a_100000210202_100000211819 [1,0,0,0,0,0|2,0,1]=4 1215 B8R0.4 CCSCCCCC#N 62a_100011219923_100000210202 [1,0,0,0,0,0|2,0,1]=4 1216 B8R0.4 CCSCCCCC=O 62a_100000139335_100000210202 [1,0,0,0,0,0|2,0,1]=4 1217 B8R0.4 CCSCCCCC=O 62a_100000210202_100000139335 [1,0,0,0,0,0|2,0,1]=4 1218 B8R0.4 CCSCCCCCF 62a_100000210202_100000729378 [1,0,0,0,0,0|2,0,0]=3 1219 B8R0.4 CCSCCCCCF 62a_100000729378_100000210202 [1,0,0,0,0,0|2,0,0]=3 1220 B8R0.4 CCSCCCCCO 62a_100000210202_100000746330 [1,0,0,0,0,0|2,0,0]=3 1221 B8R0.4 CCSCCCCCO 62a_100000746330_100000210202 [1,0,0,0,0,0|2,0,0]=3 1222 B8R0.4 CCSCCCCOC 62a_100000210202_100000730899 [1,0,0,0,0,0|2,0,0]=3 1223 B8R0.4 CCSCCCCOC 62a_100000730899_100000210202 [1,0,0,0,0,0|2,0,0]=3 1224 B8R0.4 CCSCCCOCF 34a_100011216438_100015361967 [1,0,0,0,0,0|3,0,0]=4 1225 B8R0.4 CCSCCCOCF 7a_100011216438_100015361967 [1,0,0,0,0,0|3,0,0]=4 1226 B8R0.4 CCSCCNCCF 2230a_100000106463_100011217306 [1,0,0,0,0,0|3,0,0]=4 1227 B8R0.4 CCSCCNCCF 34a_100000724931_100000757381 [1,0,0,0,0,0|3,0,0]=4 1228 B8R0.4 CCSCCNCCO 2230a_100000106463_100000211926 [1,0,0,0,0,0|3,0,0]=4 1229 B8R0.4 CCSCCNCCO 2230a_100016997473_100000757381 [1,0,0,0,0,0|3,0,0]=4 1230 B8R0.4 CCSCCNCCO 34a_100016990907_100000757381 [1,0,0,0,0,0|3,0,0]=4 1231 B8R0.4 CCSCCNCOC 2230a_100000106463_100000766300 [1,0,0,0,0,0|3,0,0]=4 1232 B8R0.4 CCSCCNCSC 2230a_100000106463_100011218213 [1,0,0,0,0,0|3,0,0]=4 1233 B8R0.4 CCSCCOCCBr 34a_100000211926_100000757381 [1,0,0,0,0,0|3,0,0]=4 1234 B8R0.4 CCSCCOCCF 34a_100000212035_100011217306 [1,0,0,0,0,0|3,0,0]=4 1235 B8R0.4 CCSCCOCCF 7a_100000212035_100011217306 [1,0,0,0,0,0|3,0,0]=4 1236 B8R0.4 CCSCCOCCN 34a_100000210304_100000757381 [1,0,0,0,0,0|3,0,0]=4 1237 B8R0.4 CCSCCOCCO 34a_100000212035_100000211926 [1,0,0,0,0,0|3,0,0]=4 1238 B8R0.4 CCSCCOCCO 62a_100000210202_100011215305 [1,0,0,0,0,0|3,0,0]=4 1239 B8R0.4 CCSCCOCCO 62a_100011215305_100000210202 [1,0,0,0,0,0|3,0,0]=4 1240 B8R0.4 CCSCCOCCO 7a_100000212035_100000211926 [1,0,0,0,0,0|3,0,0]=4 1241 B8R0.4 CCSCCOCSC 34a_100000212035_100011218213 [1,0,0,0,0,0|3,0,0]=4 1242 B8R0.4 CCSCCSCCF 62a_100000757381_100011217306 [1,0,0,0,0,0|3,0,0]=4 1243 B8R0.4 CCSCCSCCF 62a_100011217306_100000757381 [1,0,0,0,0,0|3,0,0]=4 1244 B8R0.4 CCSCCSCCO 62a_100000211926_100000757381 [1,0,0,0,0,0|3,0,0]=4 1245 B8R0.4 CCSCCSCCO 62a_100000757381_100000211926 [1,0,0,0,0,0|3,0,0]=4 1246 B8R0.4 CCSCCSCOC 62a_100000757381_100000766300 [1,0,0,0,0,0|3,0,0]=4 1247 B8R0.4 CCSCCSCOC 62a_100000766300_100000757381 [1,0,0,0,0,0|3,0,0]=4 1248 B8R0.4 CCSCCSCSC 62a_100000757381_100011218213 [1,0,0,0,0,0|3,0,0]=4 1249 B8R0.4 CCSCCSCSC 62a_100011218213_100000757381 [1,0,0,0,0,0|3,0,0]=4 1250 B8R0.4 CCSCOCCOC 62a_100000210202_100000231047 [1,0,0,0,0,0|3,0,0]=4 1251 B8R0.4 CCSCOCCOC 62a_100000231047_100000210202 [1,0,0,0,0,0|3,0,0]=4 1252 B8R0.4 CNCCCCCCF 2230a_106832991635_100015922095 [1,0,0,0,0,0|2,0,1]=4 1253 B8R0.4 CNCCCCCCF 34a_100102657272_100015922095 [1,0,0,0,0,0|2,0,1]=4 1254 B8R0.4 CNCCCCCCF 7a_106832991635_100015922095 [1,0,0,0,0,0|2,0,1]=4 1255 B8R0.4 CNCCCCCCO 2230a_100000686447_200000210301 [1,0,0,0,0,0|2,0,1]=4 1256 B8R0.4 CNCCCCCCO 2230a_106832991635_100000766143 [1,0,0,0,0,0|2,0,1]=4 1257 B8R0.4 CNCCCCCCO 34a_100000686447_200000210301 [1,0,0,0,0,0|2,0,1]=4 1258 B8R0.4 CNCCCCCCO 34a_100102657272_100000766143 [1,0,0,0,0,0|2,0,1]=4 1259 B8R0.4 CNCCCCCCO 7a_106832991635_100000766143 [1,0,0,0,0,0|2,0,1]=4 1260 B8R0.4 CNCCCCCOC 2230a_100000747528_200000210301 [1,0,0,0,0,0|2,0,1]=4 1261 B8R0.4 CNCCCCCOC 34a_100000722520_200000210301 [1,0,0,0,0,0|2,0,1]=4 1262 B8R0.4 CNCCCCCOC 34a_100000747528_200000210301 [1,0,0,0,0,0|2,0,1]=4 1263 B8R0.4 CNCCCCCO[13CH3] 34a_100000722520_200025704644 [1,0,0,0,0,0|2,0,1]=4 1264 B8R0.4 COCCCCCCBr 34a_100011215345_200000210301 [1,0,0,0,0,0|2,0,1]=4 1265 B8R0.4 COCCCCCCBr 7a_100011215345_200000210301 [1,0,0,0,0,0|2,0,1]=4 1266 B8R0.4 COCCCCCCCl 34a_100000766143_200000210301 [1,0,0,0,0,0|2,0,1]=4 1267 B8R0.4 COCCCCCCCl 7a_100000766143_200000210301 [1,0,0,0,0,0|2,0,1]=4 1268 B8R0.4 COCCCCCCF 34a_100000732779_200000210301 [1,0,0,0,0,0|2,0,1]=4 1269 B8R0.4 COCCCCCCF 34a_100138415774_100015922095 [1,0,0,0,0,0|2,0,1]=4 1270 B8R0.4 COCCCCCCF 7a_100000732779_200000210301 [1,0,0,0,0,0|2,0,1]=4 1271 B8R0.4 COCCCCCCN 34a_100000686447_200000210301 [1,0,0,0,0,0|2,0,1]=4 1272 B8R0.4 COCCCCCCO 34a_100138415774_100000766143 [1,0,0,0,0,0|2,0,1]=4 1273 B8R0.4 COCCCCCN[13CH3] 2230a_100000747528_200025704644 [1,0,0,0,0,0|2,0,1]=4 1274 B8R0.4 COCCCCCN[13CH3] 34a_100000747528_200025704644 [1,0,0,0,0,0|2,0,1]=4 1275 B8R0.4 COCCCCOCF 34a_100000740925_100015361967 [1,0,0,0,0,0|3,0,0]=4 1276 B8R0.4 COCCCCSCF 62a_100000730899_100015361967 [1,0,0,0,0,0|3,0,0]=4 1277 B8R0.4 COCCCCSCF 62a_100015361967_100000730899 [1,0,0,0,0,0|3,0,0]=4 1278 B8R0.4 CSCCCCCCF 62a_100015922095_200000210301 [1,0,0,0,0,0|2,0,1]=4 1279 B8R0.4 CSCCCCCCF 62a_200000210301_100015922095 [1,0,0,0,0,0|2,0,1]=4 1280 B8R0.4 CSCCCCCCO 62a_100000766143_200000210301 [1,0,0,0,0,0|2,0,1]=4 1281 B8R0.4 CSCCCCCCO 62a_200000210301_100000766143 [1,0,0,0,0,0|2,0,1]=4 1282 B8R0.4 CSCCCCOCF 34a_100011217163_100015361967 [1,0,0,0,0,0|3,0,0]=4 1283 B8R0.4 CSCCCCOCF 7a_100011217163_100015361967 [1,0,0,0,0,0|3,0,0]=4 1284 B8R0.4 FCCCCCSCF 62a_100000729378_100015361967 [1,0,0,0,0,0|3,0,0]=4 1285 B8R0.4 FCCCCCSCF 62a_100015361967_100000729378 [1,0,0,0,0,0|3,0,0]=4 1286 B8R0.4 FCOCCCCCBr 34a_100000746331_100015361967 [1,0,0,0,0,0|3,0,0]=4 1287 B8R0.4 FCOCCCCCBr 7a_100000746331_100015361967 [1,0,0,0,0,0|3,0,0]=4 1288 B8R0.4 FCOCCCCCCl 34a_100000746330_100015361967 [1,0,0,0,0,0|3,0,0]=4 1289 B8R0.4 FCOCCCCCCl 7a_100000746330_100015361967 [1,0,0,0,0,0|3,0,0]=4 1290 B8R0.4 FCOCCCCCI 34a_200012148887_100015361967 [1,0,0,0,0,0|3,0,0]=4 1291 B8R0.4 FCOCCCCCI 7a_200012148887_100015361967 [1,0,0,0,0,0|3,0,0]=4 1292 B8R0.4 NCCCCCOCF 34a_100000762737_100015361967 [1,0,0,0,0,0|3,0,0]=4 1293 B8R0.4 OCCCCCNCF 34a_100000762737_100015361967 [1,0,0,0,0,0|3,0,0]=4 1294 B8R0.4 OCCCCCSCF 62a_100000746330_100015361967 [1,0,0,0,0,0|3,0,0]=4 1295 B8R0.4 OCCCCCSCF 62a_100015361967_100000746330 [1,0,0,0,0,0|3,0,0]=4 1296 B8R0.4 [13CH3]NCCCCCCO 2230a_100000686447_200025704644 [1,0,0,0,0,0|2,0,1]=4 1297 B8R0.4 [13CH3]NCCCCCCO 34a_100000686447_200025704644 [1,0,0,0,0,0|2,0,1]=4 1298 B8R0.4 [13CH3]OCCCCCCBr 34a_100011215345_200025704644 [1,0,0,0,0,0|2,0,1]=4 1299 B8R0.4 [13CH3]OCCCCCCBr 7a_100011215345_200025704644 [1,0,0,0,0,0|2,0,1]=4 1300 B8R0.4 [13CH3]OCCCCCCCl 34a_100000766143_200025704644 [1,0,0,0,0,0|2,0,1]=4 1301 B8R0.4 [13CH3]OCCCCCCCl 7a_100000766143_200025704644 [1,0,0,0,0,0|2,0,1]=4 1302 B8R0.4 [13CH3]OCCCCCCF 34a_100000732779_200025704644 [1,0,0,0,0,0|2,0,1]=4 1303 B8R0.4 [13CH3]OCCCCCCF 7a_100000732779_200025704644 [1,0,0,0,0,0|2,0,1]=4 1304 B8R0.4 [13CH3]OCCCCCCN 34a_100000686447_200025704644 [1,0,0,0,0,0|2,0,1]=4 1305 B8R0.4 [13CH3]SCCCCCCF 62a_100015922095_200025704644 [1,0,0,0,0,0|2,0,1]=4 1306 B8R0.4 [13CH3]SCCCCCCF 62a_200025704644_100015922095 [1,0,0,0,0,0|2,0,1]=4 1307 B8R0.4 [13CH3]SCCCCCCO 62a_100000766143_200025704644 [1,0,0,0,0,0|2,0,1]=4 1308 B8R0.4 [13CH3]SCCCCCCO 62a_200025704644_100000766143 [1,0,0,0,0,0|2,0,1]=4 1309 B8R0.6 C#CC(=O)CCCCC 1458a_100000211873_100000210326 [1,0,0,0,0,0|0,0,2]=3 1310 B8R0.6 C#CC(=O)CCCCF 1458a_100000211873_100000729493 [1,0,0,0,0,0|1,0,2]=4 1311 B8R0.6 C#CC(=O)CCCCO 1458a_100000211873_100000210776 [1,0,0,0,0,0|1,0,2]=4 1312 B8R0.6 C#CC(=O)CCCOC 1458a_100000211873_100000740836 [1,0,0,0,0,0|1,0,2]=4 1313 B8R0.6 C#CC(=O)CCOCC 1458a_100000211873_100011215890 [1,0,0,0,0,0|1,0,2]=4 1314 B8R0.6 C#CC(=O)CCSCC 1458a_100000211873_100000757381 [1,0,0,0,0,0|1,0,2]=4 1315 B8R0.6 C#CCCCC(=O)CC 1458a_100000210414_100000731252 [1,0,0,0,0,0|0,0,2]=3 1316 B8R0.6 C#CCCCC(=O)CC 1458a_100000690238_100000210202 [1,0,0,0,0,0|0,0,2]=3 1317 B8R0.6 C#CCCCC(=O)CF 1458a_100000690238_100015361967 [1,0,0,0,0,0|1,0,2]=4 1318 B8R0.6 C#CCCCC(=O)CO 1458a_100000210174_100000731252 [1,0,0,0,0,0|1,0,2]=4 1319 B8R0.6 C#CCCCC(=O)NC 11a_106832991635_100000690238 [1,0,0,0,0,0|1,0,2]=4 1320 B8R0.6 C#CCCCC(=O)NC 1626a_100102657272_100000690238 [1,0,0,0,0,0|1,0,2]=4 1321 B8R0.6 C#CCCCC(=O)NC 240690a_100102657272_100000690238 [1,0,0,0,0,0|1,0,2]=4 1322 B8R0.6 C#CCCCC(=O)NC 527a_100102657272_100000690238 [1,0,0,0,0,0|1,0,2]=4 1323 B8R0.6 C#CCCNC(=O)CC 11a_100000755551_100000210414 [1,0,0,0,0,0|1,0,2]=4 1324 B8R0.6 C#CCCNC(=O)CC 1626a_100000755551_100000210414 [1,0,0,0,0,0|1,0,2]=4 1325 B8R0.6 C#CCCNC(=O)CC 240690a_100000755551_100000210414 [1,0,0,0,0,0|1,0,2]=4 1326 B8R0.6 C#CCCNC(=O)CC 527a_100000755551_100000210414 [1,0,0,0,0,0|1,0,2]=4 1327 B8R0.6 C#CCOCC(=O)CC 1458a_100011251226_100000210202 [1,0,0,0,0,0|1,0,2]=4 1328 B8R0.6 C#CCOCC(=O)CC 34a_100000725409_100000184674 [1,0,0,0,0,0|1,0,2]=4 1329 B8R0.6 C#CCSCC(=O)CC 62a_100000038162_100000747405 [1,0,0,0,0,0|1,0,2]=4 1330 B8R0.6 C=CC(=O)CCCCC 1458a_100000185746_100000210326 [1,0,0,0,0,0|0,0,2]=3 1331 B8R0.6 C=CC(=O)CCCCF 1458a_100000185746_100000729493 [1,0,0,0,0,0|1,0,2]=4 1332 B8R0.6 C=CC(=O)CCCCO 1458a_100000185746_100000210776 [1,0,0,0,0,0|1,0,2]=4 1333 B8R0.6 C=CC(=O)CCCOC 1458a_100000185746_100000740836 [1,0,0,0,0,0|1,0,2]=4 1334 B8R0.6 C=CC(=O)CCOCC 1458a_100000185746_100011215890 [1,0,0,0,0,0|1,0,2]=4 1335 B8R0.6 C=CC(=O)CCSCC 1458a_100000185746_100000757381 [1,0,0,0,0,0|1,0,2]=4 1336 B8R0.6 C=CC(=O)NCCCC 1626a_100000102301_100000185746 [1,0,0,0,0,0|1,0,2]=4 1337 B8R0.6 C=CC(=O)NCCCC 240690a_100000102301_200121576911 [1,0,0,0,0,0|1,0,2]=4 1338 B8R0.6 C=CCCCC(=O)CC 1458a_100000210414_100000757094 [1,0,0,0,0,0|0,0,2]=3 1339 B8R0.6 C=CCCCC(=O)CC 1458a_100000766728_100000210202 [1,0,0,0,0,0|0,0,2]=3 1340 B8R0.6 C=CCCCC(=O)CF 1458a_100000766728_100015361967 [1,0,0,0,0,0|1,0,2]=4 1341 B8R0.6 C=CCCCC(=O)CO 1458a_100000210174_100000757094 [1,0,0,0,0,0|1,0,2]=4 1342 B8R0.6 C=CCCCC(=O)NC 11a_106832991635_100000766728 [1,0,0,0,0,0|1,0,2]=4 1343 B8R0.6 C=CCCCC(=O)NC 1626a_100102657272_100000766728 [1,0,0,0,0,0|1,0,2]=4 1344 B8R0.6 C=CCCCC(=O)NC 240690a_100102657272_100000766728 [1,0,0,0,0,0|1,0,2]=4 1345 B8R0.6 C=CCCCC(=O)NC 527a_100102657272_100000766728 [1,0,0,0,0,0|1,0,2]=4 1346 B8R0.6 C=CCCNC(=O)CC 11a_100015191253_100000210414 [1,0,0,0,0,0|1,0,2]=4 1347 B8R0.6 C=CCCNC(=O)CC 1626a_100015191253_100000210414 [1,0,0,0,0,0|1,0,2]=4 1348 B8R0.6 C=CCCNC(=O)CC 240690a_100015191253_100000210414 [1,0,0,0,0,0|1,0,2]=4 1349 B8R0.6 C=CCCNC(=O)CC 527a_100015191253_100000210414 [1,0,0,0,0,0|1,0,2]=4 1350 B8R0.6 C=CCOCC(=O)CC 34a_100000725409_100015514636 [1,0,0,0,0,0|1,0,2]=4 1351 B8R0.6 C=CCSCC(=O)CC 1458a_100000230395_100000210202 [1,0,0,0,0,0|1,0,2]=4 1352 B8R0.6 C=CCSCC(=O)CC 62a_100000210623_100000747405 [1,0,0,0,0,0|1,0,2]=4 1353 B8R0.6 C=CCSCC(=O)CC 62a_100000747405_100000210623 [1,0,0,0,0,0|1,0,2]=4 1354 B8R0.6 C=COCCC(=O)CC 1458a_100000210414_100000039644 [1,0,0,0,0,0|1,0,2]=4 1355 B8R0.6 CC#CCNC(=O)CC 11a_100000685387_100000210414 [1,0,0,0,0,0|1,0,2]=4 1356 B8R0.6 CC#CCNC(=O)CC 1626a_100000685387_100000210414 [1,0,0,0,0,0|1,0,2]=4 1357 B8R0.6 CC#CCNC(=O)CC 527a_100000685387_100000210414 [1,0,0,0,0,0|1,0,2]=4 1358 B8R0.6 CC/C=C/CC(=O)CC 1458a_100016274230_100000210202 [1,0,0,0,0,0|0,0,2]=3 1359 B8R0.6 CC/C=C/CC(=O)CF 1458a_100016274230_100015361967 [1,0,0,0,0,0|1,0,2]=4 1360 B8R0.6 CC/C=C/CC(=O)NC 11a_106832991635_100016274230 [1,0,0,0,0,0|1,0,2]=4 1361 B8R0.6 CC/C=C/CC(=O)NC 1626a_100102657272_100016274230 [1,0,0,0,0,0|1,0,2]=4 1362 B8R0.6 CC/C=C/CC(=O)NC 240690a_100102657272_100016274230 [1,0,0,0,0,0|1,0,2]=4 1363 B8R0.6 CC/C=C/CC(=O)NC 527a_100102657272_100016274230 [1,0,0,0,0,0|1,0,2]=4 1364 B8R0.6 CC/C=C\CC(=O)CC 1458a_100000210414_100103147603 [1,0,0,0,0,0|0,0,2]=3 1365 B8R0.6 CC/C=C\CC(=O)CO 1458a_100000210174_100103147603 [1,0,0,0,0,0|1,0,2]=4 1366 B8R0.6 CCC#CCC(=O)CC 1458a_100000210414_100009813939 [1,0,0,0,0,0|0,0,2]=3 1367 B8R0.6 CCC#CCC(=O)CO 1458a_100000210174_100009813939 [1,0,0,0,0,0|1,0,2]=4 1368 B8R0.6 CCC(=O)C=CCOC 1458a_100016285016_100000210202 [1,0,0,0,0,0|1,0,2]=4 1369 B8R0.6 CCC(=O)CC#CCO 1458a_100000210414_200000047223 [1,0,0,0,0,0|1,0,2]=4 1370 B8R0.6 CCC(=O)CCCC#N 1458a_100000075515_100000210202 [1,0,0,0,0,0|1,0,1]=3 1371 B8R0.6 CCC(=O)CCCC#N 1458a_100000210414_100000211468 [1,0,0,0,0,0|1,0,1]=3 1372 B8R0.6 CCC(=O)CCCCF 1458a_100000210414_100000729493 [1,0,0,0,0,0|1,0,0]=2 1373 B8R0.6 CCC(=O)CCCCO 1458a_100000210414_100000210776 [1,0,0,0,0,0|1,0,0]=2 1374 B8R0.6 CCC(=O)CCCCO 1458a_100000695505_100000210202 [1,0,0,0,0,0|1,0,0]=2 1375 B8R0.6 CCC(=O)CCCOC 1458a_100000210414_100000740836 [1,0,0,0,0,0|1,0,0]=2 1376 B8R0.6 CCC(=O)CCCOC 1458a_100000741012_100000210202 [1,0,0,0,0,0|1,0,0]=2 1377 B8R0.6 CCC(=O)CCCSC 1458a_100000173376_100000210202 [1,0,0,0,0,0|1,0,0]=2 1378 B8R0.6 CCC(=O)CCN=[N+]=[N-] 1458a_100000688302_100000210202 [1,0,0,0,0,0|3,0,0]=4 1379 B8R0.6 CCC(=O)COCC=O 34a_100000725409_200009817547 [1,0,0,0,0,0|2,0,1]=4 1380 B8R0.6 CCC(=O)COCCF 34a_100000725409_100011217306 [1,0,0,0,0,0|2,0,0]=3 1381 B8R0.6 CCC(=O)COCCO 1458a_100000708028_100000210202 [1,0,0,0,0,0|2,0,0]=3 1382 B8R0.6 CCC(=O)COCCO 34a_100000725409_100000211926 [1,0,0,0,0,0|2,0,0]=3 1383 B8R0.6 CCC(=O)COCSC 34a_100000725409_100011218213 [1,0,0,0,0,0|2,0,0]=3 1384 B8R0.6 CCC(=O)CSCC#N 1458a_100000150266_100000210202 [1,0,0,0,0,0|2,0,1]=4 1385 B8R0.6 CCC(=O)CSCC#N 62a_100000747405_100011215382 [1,0,0,0,0,0|2,0,1]=4 1386 B8R0.6 CCC(=O)CSCC#N 62a_100011215382_100000747405 [1,0,0,0,0,0|2,0,1]=4 1387 B8R0.6 CCC(=O)CSCC=O 62a_100000747405_200015260668 [1,0,0,0,0,0|2,0,1]=4 1388 B8R0.6 CCC(=O)CSCC=O 62a_200015260668_100000747405 [1,0,0,0,0,0|2,0,1]=4 1389 B8R0.6 CCC(=O)CSCCF 62a_100000747405_100011217306 [1,0,0,0,0,0|2,0,0]=3 1390 B8R0.6 CCC(=O)CSCCF 62a_100011217306_100000747405 [1,0,0,0,0,0|2,0,0]=3 1391 B8R0.6 CCC(=O)CSCCO 62a_100000211926_100000747405 [1,0,0,0,0,0|2,0,0]=3 1392 B8R0.6 CCC(=O)CSCCO 62a_100000747405_100000211926 [1,0,0,0,0,0|2,0,0]=3 1393 B8R0.6 CCC(=O)CSCOC 62a_100000747405_100000766300 [1,0,0,0,0,0|2,0,0]=3 1394 B8R0.6 CCC(=O)CSCOC 62a_100000766300_100000747405 [1,0,0,0,0,0|2,0,0]=3 1395 B8R0.6 CCC(=O)CSCSC 62a_100000747405_100011218213 [1,0,0,0,0,0|2,0,0]=3 1396 B8R0.6 CCC(=O)CSCSC 62a_100011218213_100000747405 [1,0,0,0,0,0|2,0,0]=3 1397 B8R0.6 CCC(=O)NCCC#N 11a_100000720768_100000210414 [1,0,0,0,0,0|2,0,1]=4 1398 B8R0.6 CCC(=O)NCCC#N 1626a_100000720768_100000210414 [1,0,0,0,0,0|2,0,1]=4 1399 B8R0.6 CCC(=O)NCCC#N 240690a_100000720768_100000210414 [1,0,0,0,0,0|2,0,1]=4 1400 B8R0.6 CCC(=O)NCCC#N 527a_100000720768_100000210414 [1,0,0,0,0,0|2,0,1]=4 1401 B8R0.6 CCC(=O)NCCCF 11a_100015189416_100000210414 [1,0,0,0,0,0|2,0,0]=3 1402 B8R0.6 CCC(=O)NCCCF 1626a_100015189416_100000210414 [1,0,0,0,0,0|2,0,0]=3 1403 B8R0.6 CCC(=O)NCCCF 240690a_100015189416_100000210414 [1,0,0,0,0,0|2,0,0]=3 1404 B8R0.6 CCC(=O)NCCCF 527a_100015189416_100000210414 [1,0,0,0,0,0|2,0,0]=3 1405 B8R0.6 CCC(=O)NCCCO 240690a_100000182051_100000210414 [1,0,0,0,0,0|2,0,0]=3 1406 B8R0.6 CCC(=O)NCCCO 527a_100000182051_100000210414 [1,0,0,0,0,0|2,0,0]=3 1407 B8R0.6 CCC(=O)NCCNC 34a_100132302217_200000210301 [1,0,0,0,0,0|2,0,0]=3 1408 B8R0.6 CCC(=O)NCCN[13CH3] 34a_100132302217_200025704644 [1,0,0,0,0,0|2,0,0]=3 1409 B8R0.6 CCC(=O)NCCOC 1626a_100000209980_100000210414 [1,0,0,0,0,0|2,0,0]=3 1410 B8R0.6 CCC(=O)NCCOC 240690a_100000209980_100000210414 [1,0,0,0,0,0|2,0,0]=3 1411 B8R0.6 CCC(=O)NCCOC 34a_200000158885_200000210301 [1,0,0,0,0,0|2,0,0]=3 1412 B8R0.6 CCC(=O)NCCOC 527a_100000209980_100000210414 [1,0,0,0,0,0|2,0,0]=3 1413 B8R0.6 CCC(=O)NCCOC 7a_200000158885_200000210301 [1,0,0,0,0,0|2,0,0]=3 1414 B8R0.6 CCC(=O)NCCO[13CH3] 34a_200000158885_200025704644 [1,0,0,0,0,0|2,0,0]=3 1415 B8R0.6 CCC(=O)NCCO[13CH3] 7a_200000158885_200025704644 [1,0,0,0,0,0|2,0,0]=3 1416 B8R0.6 CCC(=O)NCCSC 11a_100020590264_100000210414 [1,0,0,0,0,0|2,0,0]=3 1417 B8R0.6 CCC(=O)NCCSC 1626a_100020590264_100000210414 [1,0,0,0,0,0|2,0,0]=3 1418 B8R0.6 CCC(=O)NCCSC 240690a_100020590264_100000210414 [1,0,0,0,0,0|2,0,0]=3 1419 B8R0.6 CCC(=O)NCCSC 527a_100020590264_100000210414 [1,0,0,0,0,0|2,0,0]=3 1420 B8R0.6 CCC(=O)NNCCO 22a_100000210001_100000210414 [1,0,0,0,0,0|3,0,0]=4 1421 B8R0.6 CCC(=O)OCCOC 7a_200000031056_200000210301 [1,0,0,0,0,0|2,0,0]=3 1422 B8R0.6 CCC(=O)OCCO[13CH3] 7a_200000031056_200025704644 [1,0,0,0,0,0|2,0,0]=3 1423 B8R0.6 CCC(C)CCCOC 7a_100011216074_200000210301 [1,0,0,0,0,0|2,0,1]=4 1424 B8R0.6 CCC(C)CCCO[13CH3] 7a_100011216074_200025704644 [1,0,0,0,0,0|2,0,1]=4 1425 B8R0.6 CCC=NNC(=O)CC 4a_100000183195_100000210100 [1,0,0,0,0,0|2,0,1]=4 1426 B8R0.6 CCCC#CC(=O)CC 1458a_200011218047_100000210202 [1,0,0,0,0,0|0,0,2]=3 1427 B8R0.6 CCCC#CC(=O)CF 1458a_200011218047_100015361967 [1,0,0,0,0,0|1,0,2]=4 1428 B8R0.6 CCCC#CC(=O)NC 240690a_100102657272_200011218047 [1,0,0,0,0,0|1,0,2]=4 1429 B8R0.6 CCCC=CC(=O)CC 1458a_100000212230_100000210202 [1,0,0,0,0,0|0,0,2]=3 1430 B8R0.6 CCCC=CC(=O)CF 1458a_100000212230_100015361967 [1,0,0,0,0,0|1,0,2]=4 1431 B8R0.6 CCCC=CC(=O)NC 11a_106832991635_100000212230 [1,0,0,0,0,0|1,0,2]=4 1432 B8R0.6 CCCC=CC(=O)NC 1626a_100102657272_100000212230 [1,0,0,0,0,0|1,0,2]=4 1433 B8R0.6 CCCC=CC(=O)NC 240690a_100102657272_100000212230 [1,0,0,0,0,0|1,0,2]=4 1434 B8R0.6 CCCCCC(=O)CC 1458a_100000210414_100000210326 [1,0,0,0,0,0|0,0,0]=1 1435 B8R0.6 CCCCCC(=O)CC 1458a_100000212188_100000210202 [1,0,0,0,0,0|0,0,0]=1 1436 B8R0.6 CCCCCC(=O)CF 1458a_100000212188_100015361967 [1,0,0,0,0,0|1,0,0]=2 1437 B8R0.6 CCCCCC(=O)CO 1458a_100000210174_100000210326 [1,0,0,0,0,0|1,0,0]=2 1438 B8R0.6 CCCCCC(=O)NC 11a_106832991635_100000212188 [1,0,0,0,0,0|1,0,0]=2 1439 B8R0.6 CCCCCC(=O)NC 1626a_100102657272_100000212188 [1,0,0,0,0,0|1,0,0]=2 1440 B8R0.6 CCCCCC(=O)NC 240690a_100102657272_100000212188 [1,0,0,0,0,0|1,0,0]=2 1441 B8R0.6 CCCCCC(=O)NC 527a_100102657272_100000212188 [1,0,0,0,0,0|1,0,0]=2 1442 B8R0.6 CCCCCC(C)NC 2230a_100000211957_200000210301 [1,0,0,0,0,0|2,0,1]=4 1443 B8R0.6 CCCCCC(C)NC 2230a_106832991635_200011218191 [1,0,0,0,0,0|2,0,1]=4 1444 B8R0.6 CCCCCC(C)NC 270004a_106832991635_100000211708 [1,0,0,0,0,0|2,0,1]=4 1445 B8R0.6 CCCCCC(C)NC 34a_100102657272_200011218191 [1,0,0,0,0,0|2,0,1]=4 1446 B8R0.6 CCCCCC(C)NC 7a_106832991635_200011218191 [1,0,0,0,0,0|2,0,1]=4 1447 B8R0.6 CCCCCC(C)N[13CH3] 2230a_100000211957_200025704644 [1,0,0,0,0,0|2,0,1]=4 1448 B8R0.6 CCCCCC(C)OC 34a_100011215632_200000210301 [1,0,0,0,0,0|2,0,1]=4 1449 B8R0.6 CCCCCC(C)OC 34a_100138415774_200011218191 [1,0,0,0,0,0|2,0,1]=4 1450 B8R0.6 CCCCCC(C)OC 7a_100011215632_200000210301 [1,0,0,0,0,0|2,0,1]=4 1451 B8R0.6 CCCCCC(C)O[13CH3] 34a_100011215632_200025704644 [1,0,0,0,0,0|2,0,1]=4 1452 B8R0.6 CCCCCC(C)O[13CH3] 7a_100011215632_200025704644 [1,0,0,0,0,0|2,0,1]=4 1453 B8R0.6 CCCCCC(C)SC 62a_200000210301_200011218191 [1,0,0,0,0,0|2,0,1]=4 1454 B8R0.6 CCCCCC(C)SC 62a_200011218191_200000210301 [1,0,0,0,0,0|2,0,1]=4 1455 B8R0.6 CCCCCC(C)S[13CH3] 62a_200011218191_200025704644 [1,0,0,0,0,0|2,0,1]=4 1456 B8R0.6 CCCCCC(C)S[13CH3] 62a_200025704644_200011218191 [1,0,0,0,0,0|2,0,1]=4 1457 B8R0.6 CCCCCN(C)CC 2230a_100000223495_100000210202 [1,0,0,0,0,0|2,0,0]=3 1458 B8R0.6 CCCCCN(C)CC 2230a_100000225621_100000210326 [1,0,0,0,0,0|2,0,0]=3 1459 B8R0.6 CCCCCN(C)CC 269982a_100000223495_100000204670 [1,0,0,0,0,0|2,0,0]=3 1460 B8R0.6 CCCCCN(C)CC 269982a_100000225621_100000210215 [1,0,0,0,0,0|2,0,0]=3 1461 B8R0.6 CCCCCN(C)CF 269982a_100000223495_100015361967 [1,0,0,0,0,0|3,0,0]=4 1462 B8R0.6 CCCCNC(=O)CC 11a_100000102301_100000210414 [1,0,0,0,0,0|1,0,0]=2 1463 B8R0.6 CCCCNC(=O)CC 1626a_100000102301_100000210414 [1,0,0,0,0,0|1,0,0]=2 1464 B8R0.6 CCCCNC(=O)CC 240690a_100000102301_100000210414 [1,0,0,0,0,0|1,0,0]=2 1465 B8R0.6 CCCCNC(=O)CC 527a_100000102301_100000210414 [1,0,0,0,0,0|1,0,0]=2 1466 B8R0.6 CCCCNC(=O)CO 240690a_100000102301_100000210174 [1,0,0,0,0,0|2,0,0]=3 1467 B8R0.6 CCCCNC(=O)CO 527a_100000102301_100000210174 [1,0,0,0,0,0|2,0,0]=3 1468 B8R0.6 CCCCNC(=O)NC 2708a_100000102301_106832991635 [1,0,0,0,0,0|2,0,0]=3 1469 B8R0.6 CCCCNC(=O)NC 2708a_100102657272_100000102301 [1,0,0,0,0,0|2,0,0]=3 1470 B8R0.6 CCCCNC(=O)NC 273464a_100000102301_100102657272 [1,0,0,0,0,0|2,0,0]=3 1471 B8R0.6 CCCCNC(=O)NC 273464a_100102657272_100000102301 [1,0,0,0,0,0|2,0,0]=3 1472 B8R0.6 CCCCNC(=O)NC 512a_100000102301_100102657272 [1,0,0,0,0,0|2,0,0]=3 1473 B8R0.6 CCCCNC(=O)NC 512a_106832991638_100000102301 [1,0,0,0,0,0|2,0,0]=3 1474 B8R0.6 CCCCNC(C)CC 2230a_100000102301_100000758301 [1,0,0,0,0,0|2,0,1]=4 1475 B8R0.6 CCCCNC(C)CC 2230a_100000209981_100000210211 [1,0,0,0,0,0|2,0,1]=4 1476 B8R0.6 CCCCNC(C)CC 7a_106832991798_100000758301 [1,0,0,0,0,0|2,0,1]=4 1477 B8R0.6 CCCCOC(C)CC 34a_100000210227_100011215416 [1,0,0,0,0,0|2,0,1]=4 1478 B8R0.6 CCCCOC(C)CC 7a_100000210227_100000758301 [1,0,0,0,0,0|2,0,1]=4 1479 B8R0.6 CCCCOC(C)CC 7a_100000210228_100000210211 [1,0,0,0,0,0|2,0,1]=4 1480 B8R0.6 CCCCSC(C)CC 62a_100000210211_100000758301 [1,0,0,0,0,0|2,0,1]=4 1481 B8R0.6 CCCCSC(C)CC 62a_100000758301_100000210210 [1,0,0,0,0,0|2,0,1]=4 1482 B8R0.6 CCCNCC(=O)NC 2230a_100000693194_100000210303 [1,0,0,0,0,0|2,0,0]=3 1483 B8R0.6 CCCNCC(C)CC 2230a_100020588543_100000210303 [1,0,0,0,0,0|2,0,1]=4 1484 B8R0.6 CCCNCC(C)CC 270004a_100020643023_100000243153 [1,0,0,0,0,0|2,0,1]=4 1485 B8R0.6 CCCNCC(O)CC 2230a_100011218483_100000210303 [1,0,0,0,0,0|1,0,2]=4 1486 B8R0.6 CCCNNC(=O)CC 22a_100000740057_100000210414 [1,0,0,0,0,0|2,0,0]=3 1487 B8R0.6 CCCNNC(=O)CO 22a_100000740057_100000210174 [1,0,0,0,0,0|3,0,0]=4 1488 B8R0.6 CCCNNC(=O)NC 273464a_100102657272_100000740057 [1,0,0,0,0,0|3,0,0]=4 1489 B8R0.6 CCCNNC(=O)NC 512a_100000740057_100102657272 [1,0,0,0,0,0|3,0,0]=4 1490 B8R0.6 CCCNNC(=O)NC 512a_106832991638_100000740057 [1,0,0,0,0,0|3,0,0]=4 1491 B8R0.6 CCCOCC(=O)CC 1458a_100000745993_100000210202 [1,0,0,0,0,0|1,0,0]=2 1492 B8R0.6 CCCOCC(=O)CC 34a_100000725409_100000210303 [1,0,0,0,0,0|1,0,0]=2 1493 B8R0.6 CCCOCC(=O)CF 1458a_100000745993_100015361967 [1,0,0,0,0,0|2,0,0]=3 1494 B8R0.6 CCCOCC(=O)NC 11a_106832991635_100000745993 [1,0,0,0,0,0|2,0,0]=3 1495 B8R0.6 CCCOCC(=O)NC 1626a_100102657272_100000745993 [1,0,0,0,0,0|2,0,0]=3 1496 B8R0.6 CCCOCC(=O)NC 240690a_100102657272_100000745993 [1,0,0,0,0,0|2,0,0]=3 1497 B8R0.6 CCCOCC(=O)NC 34a_100000210258_100000183359 [1,0,0,0,0,0|2,0,0]=3 1498 B8R0.6 CCCOCC(=O)NC 34a_100000750040_100000210303 [1,0,0,0,0,0|2,0,0]=3 1499 B8R0.6 CCCOCC(=O)NC 527a_100102657272_100000745993 [1,0,0,0,0,0|2,0,0]=3 1500 B8R0.6 CCCOCC(=O)OC 34a_100000210258_100000747449 [1,0,0,0,0,0|2,0,0]=3 1501 B8R0.6 CCCOCC(C)CC 34a_100000210258_100000748023 [1,0,0,0,0,0|2,0,1]=4 1502 B8R0.6 CCCOCC(O)CC 34a_100000210258_100011218378 [1,0,0,0,0,0|1,0,2]=4 1503 B8R0.6 CCCOC[C@@H](C)CC 34a_100000210258_100009816398 [1,0,0,0,0,0|2,0,1]=4 1504 B8R0.6 CCCOC[C@@H](C)CC 7a_100009816381_100000210303 [1,0,0,0,0,0|2,0,1]=4 1505 B8R0.6 CCCSCC(=O)CC 1458a_100000217233_100000210202 [1,0,0,0,0,0|1,0,0]=2 1506 B8R0.6 CCCSCC(=O)CC 62a_100000210303_100000747405 [1,0,0,0,0,0|1,0,0]=2 1507 B8R0.6 CCCSCC(=O)CC 62a_100000747405_100000210303 [1,0,0,0,0,0|1,0,0]=2 1508 B8R0.6 CCCSCC(=O)CF 1458a_100000217233_100015361967 [1,0,0,0,0,0|2,0,0]=3 1509 B8R0.6 CCCSCC(=O)NC 11a_106832991635_100000217233 [1,0,0,0,0,0|2,0,0]=3 1510 B8R0.6 CCCSCC(=O)NC 1626a_100102657272_100000217233 [1,0,0,0,0,0|2,0,0]=3 1511 B8R0.6 CCCSCC(=O)NC 240690a_100102657272_100000217233 [1,0,0,0,0,0|2,0,0]=3 1512 B8R0.6 CCCSCC(=O)NC 527a_100102657272_100000217233 [1,0,0,0,0,0|2,0,0]=3 1513 B8R0.6 CCCSCC(=O)NC 62a_100000183359_100000210303 [1,0,0,0,0,0|2,0,0]=3 1514 B8R0.6 CCCSCC(=O)NC 62a_100000210303_100000183359 [1,0,0,0,0,0|2,0,0]=3 1515 B8R0.6 CCCSCC(=O)OC 62a_100000210303_100000747449 [1,0,0,0,0,0|2,0,0]=3 1516 B8R0.6 CCCSCC(=O)OC 62a_100000747449_100000210303 [1,0,0,0,0,0|2,0,0]=3 1517 B8R0.6 CCCSCC(C)CC 62a_100000210303_100000748023 [1,0,0,0,0,0|2,0,1]=4 1518 B8R0.6 CCCSCC(C)CC 62a_100000748023_100000210303 [1,0,0,0,0,0|2,0,1]=4 1519 B8R0.6 CCCSCC(O)CC 62a_100000210303_100011218378 [1,0,0,0,0,0|1,0,2]=4 1520 B8R0.6 CCCSCC(O)CC 62a_100011218378_100000210303 [1,0,0,0,0,0|1,0,2]=4 1521 B8R0.6 CCCSC[C@@H](C)CC 62a_100000210303_100009816398 [1,0,0,0,0,0|2,0,1]=4 1522 B8R0.6 CCCSC[C@@H](C)CC 62a_100009816398_100000210303 [1,0,0,0,0,0|2,0,1]=4 1523 B8R0.6 CCN(C)CCCCF 2230a_100000225621_100000729493 [1,0,0,0,0,0|3,0,0]=4 1524 B8R0.6 CCN(C)CCCCF 269982a_100000225621_100000729493 [1,0,0,0,0,0|3,0,0]=4 1525 B8R0.6 CCN(C)CCCCO 2230a_100000225621_100000210776 [1,0,0,0,0,0|3,0,0]=4 1526 B8R0.6 CCN(C)CCCCO 2230a_100000717598_100000210202 [1,0,0,0,0,0|3,0,0]=4 1527 B8R0.6 CCN(C)CCCCO 2230a_100011217355_200000210301 [1,0,0,0,0,0|3,0,0]=4 1528 B8R0.6 CCN(C)CCCCO 269982a_100000225621_100000210776 [1,0,0,0,0,0|3,0,0]=4 1529 B8R0.6 CCN(C)CCCCO 269982a_100000717598_100000204670 [1,0,0,0,0,0|3,0,0]=4 1530 B8R0.6 CCN(C)CCCCO 269982a_100011217355_200000210301 [1,0,0,0,0,0|3,0,0]=4 1531 B8R0.6 CCN(C)CCCNC 2230a_106832991635_100015186262 [1,0,0,0,0,0|3,0,0]=4 1532 B8R0.6 CCN(C)CCCNC 7a_106832991635_100015186262 [1,0,0,0,0,0|3,0,0]=4 1533 B8R0.6 CCN(C)CCCOC 2230a_100000224831_100000210202 [1,0,0,0,0,0|3,0,0]=4 1534 B8R0.6 CCN(C)CCCOC 2230a_100000225621_100000740836 [1,0,0,0,0,0|3,0,0]=4 1535 B8R0.6 CCN(C)CCCOC 269982a_100000224831_100000204670 [1,0,0,0,0,0|3,0,0]=4 1536 B8R0.6 CCN(C)CCCOC 269982a_100000225621_100000740836 [1,0,0,0,0,0|3,0,0]=4 1537 B8R0.6 CCN(C)CCCSC 62a_200000210301_100015186262 [1,0,0,0,0,0|3,0,0]=4 1538 B8R0.6 CCN(C)CCCS[13CH3] 62a_200025704644_100015186262 [1,0,0,0,0,0|3,0,0]=4 1539 B8R0.6 CCN([13CH3])CCCCO 2230a_100011217355_200025704644 [1,0,0,0,0,0|3,0,0]=4 1540 B8R0.6 CCN([13CH3])CCCCO 269982a_100011217355_200025704644 [1,0,0,0,0,0|3,0,0]=4 1541 B8R0.6 CCNCCC(=O)NC 2230a_100000738227_100000210202 [1,0,0,0,0,0|2,0,0]=3 1542 B8R0.6 CCNCCC(=O)NC 2230a_100015525214_100000737683 [1,0,0,0,0,0|2,0,0]=3 1543 B8R0.6 CCNCCC(=O)NC 34a_100000738227_100000210202 [1,0,0,0,0,0|2,0,0]=3 1544 B8R0.6 CCNCCC(=O)OC 2230a_100015525214_100000204255 [1,0,0,0,0,0|2,0,0]=3 1545 B8R0.6 CCNCCC(C)CC 2230a_100020591266_100000210202 [1,0,0,0,0,0|2,0,1]=4 1546 B8R0.6 CCOC=CC(=O)CC 1458a_100016266692_100000210202 [1,0,0,0,0,0|1,0,2]=4 1547 B8R0.6 CCOCCC(=O)CC 1458a_100000210414_100011215890 [1,0,0,0,0,0|1,0,0]=2 1548 B8R0.6 CCOCCC(=O)CC 1458a_100000749530_100000210202 [1,0,0,0,0,0|1,0,0]=2 1549 B8R0.6 CCOCCC(=O)CF 1458a_100000749530_100015361967 [1,0,0,0,0,0|2,0,0]=3 1550 B8R0.6 CCOCCC(=O)CO 1458a_100000210174_100011215890 [1,0,0,0,0,0|2,0,0]=3 1551 B8R0.6 CCOCCC(=O)NC 11a_106832991635_100000749530 [1,0,0,0,0,0|2,0,0]=3 1552 B8R0.6 CCOCCC(=O)NC 1626a_100102657272_100000749530 [1,0,0,0,0,0|2,0,0]=3 1553 B8R0.6 CCOCCC(=O)NC 240690a_100102657272_100000749530 [1,0,0,0,0,0|2,0,0]=3 1554 B8R0.6 CCOCCC(=O)NC 34a_100000754576_100000210202 [1,0,0,0,0,0|2,0,0]=3 1555 B8R0.6 CCOCCC(=O)NC 34a_100121572206_100012179268 [1,0,0,0,0,0|2,0,0]=3 1556 B8R0.6 CCOCCC(=O)NC 527a_100102657272_100000749530 [1,0,0,0,0,0|2,0,0]=3 1557 B8R0.6 CCOCCC(=O)OC 34a_100121572206_100000742370 [1,0,0,0,0,0|2,0,0]=3 1558 B8R0.6 CCOCCC(C)CC 7a_100011215188_100000210202 [1,0,0,0,0,0|2,0,1]=4 1559 B8R0.6 CCOCCN(C)CC 2230a_100000225621_100011215890 [1,0,0,0,0,0|3,0,0]=4 1560 B8R0.6 CCOCCN(C)CC 269982a_100000225621_100011215890 [1,0,0,0,0,0|3,0,0]=4 1561 B8R0.6 CCSCCC(=O)CC 1458a_100000210414_100000757381 [1,0,0,0,0,0|1,0,0]=2 1562 B8R0.6 CCSCCC(=O)CC 1458a_100000230768_100000210202 [1,0,0,0,0,0|1,0,0]=2 1563 B8R0.6 CCSCCC(=O)CF 1458a_100000230768_100015361967 [1,0,0,0,0,0|2,0,0]=3 1564 B8R0.6 CCSCCC(=O)CO 1458a_100000210174_100000757381 [1,0,0,0,0,0|2,0,0]=3 1565 B8R0.6 CCSCCC(=O)NC 11a_106832991635_100000230768 [1,0,0,0,0,0|2,0,0]=3 1566 B8R0.6 CCSCCC(=O)NC 1626a_100102657272_100000230768 [1,0,0,0,0,0|2,0,0]=3 1567 B8R0.6 CCSCCC(=O)NC 240690a_100102657272_100000230768 [1,0,0,0,0,0|2,0,0]=3 1568 B8R0.6 CCSCCC(=O)NC 527a_100102657272_100000230768 [1,0,0,0,0,0|2,0,0]=3 1569 B8R0.6 CCSCCC(=O)NC 62a_100000210202_100000737683 [1,0,0,0,0,0|2,0,0]=3 1570 B8R0.6 CCSCCC(=O)NC 62a_100000737683_100000210202 [1,0,0,0,0,0|2,0,0]=3 1571 B8R0.6 CCSCCC(=O)OC 62a_100000204255_100000210202 [1,0,0,0,0,0|2,0,0]=3 1572 B8R0.6 CCSCCC(=O)OC 62a_100000210202_100000204255 [1,0,0,0,0,0|2,0,0]=3 1573 B8R0.6 CCSCCN(C)CC 2230a_100000225621_100000757381 [1,0,0,0,0,0|3,0,0]=4 1574 B8R0.6 CCSCCN(C)CC 269982a_100000225621_100000757381 [1,0,0,0,0,0|3,0,0]=4 1575 B8R0.6 CCSCOC(=O)OC 62a_100000210202_100000139417 [1,0,0,0,0,0|3,0,0]=4 1576 B8R0.6 CNC(=O)CCCC#N 11a_106832991635_100000075515 [1,0,0,0,0,0|2,0,1]=4 1577 B8R0.6 CNC(=O)CCCC#N 1626a_100102657272_100000075515 [1,0,0,0,0,0|2,0,1]=4 1578 B8R0.6 CNC(=O)CCCC#N 240690a_100102657272_100000075515 [1,0,0,0,0,0|2,0,1]=4 1579 B8R0.6 CNC(=O)CCCC#N 527a_100102657272_100000075515 [1,0,0,0,0,0|2,0,1]=4 1580 B8R0.6 CNC(=O)CCCCO 1626a_100102657272_100000695505 [1,0,0,0,0,0|2,0,0]=3 1581 B8R0.6 CNC(=O)CCCN[13CH3] 2230a_100000740002_200025704644 [1,0,0,0,0,0|2,0,0]=3 1582 B8R0.6 CNC(=O)CCCN[13CH3] 34a_100000740002_200025704644 [1,0,0,0,0,0|2,0,0]=3 1583 B8R0.6 CNC(=O)CCCOC 11a_106832991635_100000741012 [1,0,0,0,0,0|2,0,0]=3 1584 B8R0.6 CNC(=O)CCCOC 1626a_100102657272_100000741012 [1,0,0,0,0,0|2,0,0]=3 1585 B8R0.6 CNC(=O)CCCOC 240690a_100102657272_100000741012 [1,0,0,0,0,0|2,0,0]=3 1586 B8R0.6 CNC(=O)CCCOC 34a_100138415774_100000741757 [1,0,0,0,0,0|2,0,0]=3 1587 B8R0.6 CNC(=O)CCCOC 527a_100102657272_100000741012 [1,0,0,0,0,0|2,0,0]=3 1588 B8R0.6 CNC(=O)CCCSC 11a_106832991635_100000173376 [1,0,0,0,0,0|2,0,0]=3 1589 B8R0.6 CNC(=O)CCCSC 1626a_100102657272_100000173376 [1,0,0,0,0,0|2,0,0]=3 1590 B8R0.6 CNC(=O)CCCSC 240690a_100102657272_100000173376 [1,0,0,0,0,0|2,0,0]=3 1591 B8R0.6 CNC(=O)CCCSC 527a_100102657272_100000173376 [1,0,0,0,0,0|2,0,0]=3 1592 B8R0.6 CNC(=O)CCCSC 62a_100000741757_200000210301 [1,0,0,0,0,0|2,0,0]=3 1593 B8R0.6 CNC(=O)CCCSC 62a_200000210301_100000741757 [1,0,0,0,0,0|2,0,0]=3 1594 B8R0.6 CNC(=O)CCCS[13CH3] 62a_100000741757_200025704644 [1,0,0,0,0,0|2,0,0]=3 1595 B8R0.6 CNC(=O)CCCS[13CH3] 62a_200025704644_100000741757 [1,0,0,0,0,0|2,0,0]=3 1596 B8R0.6 CNC(=O)CCNCF 34a_100000738227_100015361967 [1,0,0,0,0,0|3,0,0]=4 1597 B8R0.6 CNC(=O)CCOCF 34a_100000754576_100015361967 [1,0,0,0,0,0|3,0,0]=4 1598 B8R0.6 CNC(=O)CCSCF 62a_100000737683_100015361967 [1,0,0,0,0,0|3,0,0]=4 1599 B8R0.6 CNC(=O)CCSCF 62a_100015361967_100000737683 [1,0,0,0,0,0|3,0,0]=4 1600 B8R0.6 CNC(=O)CNCCF 2230a_100000693194_100011217306 [1,0,0,0,0,0|3,0,0]=4 1601 B8R0.6 CNC(=O)CNCCF 34a_100000724931_100000183359 [1,0,0,0,0,0|3,0,0]=4 1602 B8R0.6 CNC(=O)CNCCO 2230a_100000693194_100000211926 [1,0,0,0,0,0|3,0,0]=4 1603 B8R0.6 CNC(=O)CNCCO 2230a_100016997473_100000183359 [1,0,0,0,0,0|3,0,0]=4 1604 B8R0.6 CNC(=O)CNCCO 34a_100016990907_100000183359 [1,0,0,0,0,0|3,0,0]=4 1605 B8R0.6 CNC(=O)CNCOC 2230a_100000693194_100000766300 [1,0,0,0,0,0|3,0,0]=4 1606 B8R0.6 CNC(=O)CNCSC 2230a_100000693194_100011218213 [1,0,0,0,0,0|3,0,0]=4 1607 B8R0.6 CNC(=O)COCCBr 34a_100000211926_100000183359 [1,0,0,0,0,0|3,0,0]=4 1608 B8R0.6 CNC(=O)COCCF 34a_100000750040_100011217306 [1,0,0,0,0,0|3,0,0]=4 1609 B8R0.6 CNC(=O)COCCN 34a_100000210304_100000183359 [1,0,0,0,0,0|3,0,0]=4 1610 B8R0.6 CNC(=O)COCCO 1626a_100102657272_100000708028 [1,0,0,0,0,0|3,0,0]=4 1611 B8R0.6 CNC(=O)COCCO 240690a_100102657272_100000708028 [1,0,0,0,0,0|3,0,0]=4 1612 B8R0.6 CNC(=O)COCCO 34a_100000750040_100000211926 [1,0,0,0,0,0|3,0,0]=4 1613 B8R0.6 CNC(=O)COCSC 34a_100000750040_100011218213 [1,0,0,0,0,0|3,0,0]=4 1614 B8R0.6 CNC(=O)CSCCF 62a_100000183359_100011217306 [1,0,0,0,0,0|3,0,0]=4 1615 B8R0.6 CNC(=O)CSCCF 62a_100011217306_100000183359 [1,0,0,0,0,0|3,0,0]=4 1616 B8R0.6 CNC(=O)CSCCO 62a_100000183359_100000211926 [1,0,0,0,0,0|3,0,0]=4 1617 B8R0.6 CNC(=O)CSCCO 62a_100000211926_100000183359 [1,0,0,0,0,0|3,0,0]=4 1618 B8R0.6 CNC(=O)CSCOC 62a_100000183359_100000766300 [1,0,0,0,0,0|3,0,0]=4 1619 B8R0.6 CNC(=O)CSCOC 62a_100000766300_100000183359 [1,0,0,0,0,0|3,0,0]=4 1620 B8R0.6 CNC(=O)CSCSC 62a_100000183359_100011218213 [1,0,0,0,0,0|3,0,0]=4 1621 B8R0.6 CNC(=O)CSCSC 62a_100011218213_100000183359 [1,0,0,0,0,0|3,0,0]=4 1622 B8R0.6 CNC(=O)NCCCF 2708a_100015189416_106832991635 [1,0,0,0,0,0|3,0,0]=4 1623 B8R0.6 CNC(=O)NCCCF 2708a_100102657272_100015189416 [1,0,0,0,0,0|3,0,0]=4 1624 B8R0.6 CNC(=O)NCCCF 273464a_100015189416_100102657272 [1,0,0,0,0,0|3,0,0]=4 1625 B8R0.6 CNC(=O)NCCCF 273464a_100102657272_100015189416 [1,0,0,0,0,0|3,0,0]=4 1626 B8R0.6 CNC(=O)NCCCF 512a_100015189416_100102657272 [1,0,0,0,0,0|3,0,0]=4 1627 B8R0.6 CNC(=O)NCCCF 512a_106832991638_100015189416 [1,0,0,0,0,0|3,0,0]=4 1628 B8R0.6 CNC(=O)NCCCO 2708a_100102657272_100000182051 [1,0,0,0,0,0|3,0,0]=4 1629 B8R0.6 CNC(=O)NCCCO 273464a_100000182051_100102657272 [1,0,0,0,0,0|3,0,0]=4 1630 B8R0.6 CNC(=O)NCCCO 273464a_100102657272_100000182051 [1,0,0,0,0,0|3,0,0]=4 1631 B8R0.6 CNC(=O)NCCCO 512a_106832991638_100000182051 [1,0,0,0,0,0|3,0,0]=4 1632 B8R0.6 CNC(=O)NCCN[13CH3] 34a_100015205895_200025704644 [1,0,0,0,0,0|3,0,0]=4 1633 B8R0.6 CNC(=O)NCCOC 2708a_100102657272_100000209980 [1,0,0,0,0,0|3,0,0]=4 1634 B8R0.6 CNC(=O)NCCOC 273464a_100000209980_100102657272 [1,0,0,0,0,0|3,0,0]=4 1635 B8R0.6 CNC(=O)NCCOC 273464a_100102657272_100000209980 [1,0,0,0,0,0|3,0,0]=4 1636 B8R0.6 CNC(=O)NCCSC 2708a_100020590264_106832991635 [1,0,0,0,0,0|3,0,0]=4 1637 B8R0.6 CNC(=O)NCCSC 2708a_100102657272_100020590264 [1,0,0,0,0,0|3,0,0]=4 1638 B8R0.6 CNC(=O)NCCSC 273464a_100020590264_100102657272 [1,0,0,0,0,0|3,0,0]=4 1639 B8R0.6 CNC(=O)NCCSC 273464a_100102657272_100020590264 [1,0,0,0,0,0|3,0,0]=4 1640 B8R0.6 CNC(=O)NCCSC 512a_100020590264_100102657272 [1,0,0,0,0,0|3,0,0]=4 1641 B8R0.6 CNC(=O)NCCSC 512a_106832991638_100020590264 [1,0,0,0,0,0|3,0,0]=4 1642 B8R0.6 CNC(=O)OCCOC 34a_100138415774_200011997002 [1,0,0,0,0,0|3,0,0]=4 1643 B8R0.6 CNC(=O)OCCSC 62a_200000210301_200011997002 [1,0,0,0,0,0|3,0,0]=4 1644 B8R0.6 CNC(=O)OCCSC 62a_200011997002_200000210301 [1,0,0,0,0,0|3,0,0]=4 1645 B8R0.6 CNC(=O)OCCS[13CH3] 62a_200011997002_200025704644 [1,0,0,0,0,0|3,0,0]=4 1646 B8R0.6 CNC(=O)OCCS[13CH3] 62a_200025704644_200011997002 [1,0,0,0,0,0|3,0,0]=4 1647 B8R0.6 CNCCCC(=O)NC 2230a_100000740002_200000210301 [1,0,0,0,0,0|2,0,0]=3 1648 B8R0.6 CNCCCC(=O)NC 2230a_106832991635_100000741757 [1,0,0,0,0,0|2,0,0]=3 1649 B8R0.6 CNCCCC(=O)NC 34a_100000740002_200000210301 [1,0,0,0,0,0|2,0,0]=3 1650 B8R0.6 CNCCCC(=O)NC 34a_100102657272_100000741757 [1,0,0,0,0,0|2,0,0]=3 1651 B8R0.6 CNCCCC(=O)NC 7a_106832991635_100000741757 [1,0,0,0,0,0|2,0,0]=3 1652 B8R0.6 CNCCCC(=O)OC 2230a_106832991635_100011218270 [1,0,0,0,0,0|2,0,0]=3 1653 B8R0.6 CNCCCC(=O)OC 34a_100102657272_100000742333 [1,0,0,0,0,0|2,0,0]=3 1654 B8R0.6 CNCCCC(=O)OC 7a_106832991635_100011218270 [1,0,0,0,0,0|2,0,0]=3 1655 B8R0.6 CNCCNC(=O)NC 34a_100015205895_200000210301 [1,0,0,0,0,0|3,0,0]=4 1656 B8R0.6 CNCCOC(=O)NC 34a_100102657272_200011997002 [1,0,0,0,0,0|3,0,0]=4 1657 B8R0.6 CNCCOC(=O)NC 7a_106832991635_200011997002 [1,0,0,0,0,0|3,0,0]=4 1658 B8R0.6 COC(=O)CCCSC 62a_100011218270_200000210301 [1,0,0,0,0,0|2,0,0]=3 1659 B8R0.6 COC(=O)CCCSC 62a_200000210301_100011218270 [1,0,0,0,0,0|2,0,0]=3 1660 B8R0.6 COC(=O)CCCS[13CH3] 62a_100011218270_200025704644 [1,0,0,0,0,0|2,0,0]=3 1661 B8R0.6 COC(=O)CCCS[13CH3] 62a_200025704644_100011218270 [1,0,0,0,0,0|2,0,0]=3 1662 B8R0.6 COC(=O)CCSCF 62a_100000204255_100015361967 [1,0,0,0,0,0|3,0,0]=4 1663 B8R0.6 COC(=O)CCSCF 62a_100015361967_100000204255 [1,0,0,0,0,0|3,0,0]=4 1664 B8R0.6 COC(=O)CNCCF 34a_100000724931_100000747449 [1,0,0,0,0,0|3,0,0]=4 1665 B8R0.6 COC(=O)CNCCO 2230a_100016997473_100000747449 [1,0,0,0,0,0|3,0,0]=4 1666 B8R0.6 COC(=O)CNCCO 34a_100016990907_100000747449 [1,0,0,0,0,0|3,0,0]=4 1667 B8R0.6 COC(=O)COCCBr 34a_100000211926_100000747449 [1,0,0,0,0,0|3,0,0]=4 1668 B8R0.6 COC(=O)COCCN 34a_100000210304_100000747449 [1,0,0,0,0,0|3,0,0]=4 1669 B8R0.6 COC(=O)CSCCF 62a_100000747449_100011217306 [1,0,0,0,0,0|3,0,0]=4 1670 B8R0.6 COC(=O)CSCCF 62a_100011217306_100000747449 [1,0,0,0,0,0|3,0,0]=4 1671 B8R0.6 COC(=O)CSCCO 62a_100000211926_100000747449 [1,0,0,0,0,0|3,0,0]=4 1672 B8R0.6 COC(=O)CSCCO 62a_100000747449_100000211926 [1,0,0,0,0,0|3,0,0]=4 1673 B8R0.6 COC(=O)CSCSC 62a_100000747449_100011218213 [1,0,0,0,0,0|3,0,0]=4 1674 B8R0.6 COC(=O)CSCSC 62a_100011218213_100000747449 [1,0,0,0,0,0|3,0,0]=4 1675 B8R0.6 COC(=O)NCCO[13CH3] 34a_100000757965_200025704644 [1,0,0,0,0,0|3,0,0]=4 1676 B8R0.6 COC(=O)OCCO[13CH3] 34a_100010262106_200025704644 [1,0,0,0,0,0|3,0,0]=4 1677 B8R0.6 COCCCC(=O)CF 1458a_100000741012_100015361967 [1,0,0,0,0,0|2,0,0]=3 1678 B8R0.6 COCCCC(=O)CO 1458a_100000210174_100000740836 [1,0,0,0,0,0|2,0,0]=3 1679 B8R0.6 COCCCC(=O)NN 34a_100000211488_200000210301 [1,0,0,0,0,0|3,0,0]=4 1680 B8R0.6 COCCCC(=O)OC 34a_100138415774_100000742333 [1,0,0,0,0,0|2,0,0]=3 1681 B8R0.6 COCCNC(=O)CO 240690a_100000209980_100000210174 [1,0,0,0,0,0|3,0,0]=4 1682 B8R0.6 COCCNC(=O)CO 527a_100000209980_100000210174 [1,0,0,0,0,0|3,0,0]=4 1683 B8R0.6 COCCNC(=O)OC 34a_100000757965_200000210301 [1,0,0,0,0,0|3,0,0]=4 1684 B8R0.6 COCCOC(=O)OC 34a_100010262106_200000210301 [1,0,0,0,0,0|3,0,0]=4 1685 B8R0.6 COCSCC(=O)OC 62a_100000747449_100000766300 [1,0,0,0,0,0|3,0,0]=4 1686 B8R0.6 COCSCC(=O)OC 62a_100000766300_100000747449 [1,0,0,0,0,0|3,0,0]=4 1687 B8R0.6 CSCCCC(=O)CF 1458a_100000173376_100015361967 [1,0,0,0,0,0|2,0,0]=3 1688 B8R0.6 CSCCNC(=O)CO 240690a_100020590264_100000210174 [1,0,0,0,0,0|3,0,0]=4 1689 B8R0.6 CSCCNC(=O)CO 527a_100020590264_100000210174 [1,0,0,0,0,0|3,0,0]=4 1690 B8R0.6 N#CCCCC(=O)CF 1458a_100000075515_100015361967 [1,0,0,0,0,0|2,0,1]=4 1691 B8R0.6 N#CCCCC(=O)CO 1458a_100000210174_100000211468 [1,0,0,0,0,0|2,0,1]=4 1692 B8R0.6 O=C(CF)CCCCO 1458a_100000695505_100015361967 [1,0,0,0,0,0|2,0,0]=3 1693 B8R0.6 O=C(CF)COCCO 1458a_100000708028_100015361967 [1,0,0,0,0,0|3,0,0]=4 1694 B8R0.6 O=C(CO)CCCCF 1458a_100000210174_100000729493 [1,0,0,0,0,0|2,0,0]=3 1695 B8R0.6 O=C(CO)CCCCO 1458a_100000210174_100000210776 [1,0,0,0,0,0|2,0,0]=3 1696 B8R0.6 O=C(CO)NCCCF 240690a_100015189416_100000210174 [1,0,0,0,0,0|3,0,0]=4 1697 B8R0.6 O=C(CO)NCCCF 527a_100015189416_100000210174 [1,0,0,0,0,0|3,0,0]=4 1698 B8R0.6 O=C(CO)NCCCO 240690a_100000182051_100000210174 [1,0,0,0,0,0|3,0,0]=4 1699 B8R0.6 O=C(CO)NCCCO 527a_100000182051_100000210174 [1,0,0,0,0,0|3,0,0]=4 1700 B8R0.6 [13CH3]OCCCC(=O)NN 34a_100000211488_200025704644 [1,0,0,0,0,0|3,0,0]=4 1701 B8R0.7 C#CCCCCC(=O)C 1458a_100000070787_100010269958 [1,0,0,0,0,0|0,0,2]=3 1702 B8R0.7 C#CCCCCC(=O)C 1458a_100000696528_200000210301 [1,0,0,0,0,0|0,0,2]=3 1703 B8R0.7 C#CCCCCC(=O)[13CH3] 1458a_100000696528_200025704644 [1,0,0,0,0,0|0,0,2]=3 1704 B8R0.7 C#CCCCNC(=O)C 11a_100000718082_100015343762 [1,0,0,0,0,0|1,0,2]=4 1705 B8R0.7 C#CCCCNC(=O)C 1626a_100000718082_100015343762 [1,0,0,0,0,0|1,0,2]=4 1706 B8R0.7 C#CCCCNC(=O)C 240690a_100000718082_100015343762 [1,0,0,0,0,0|1,0,2]=4 1707 B8R0.7 C#CCCCNC(=O)C 527a_100000718082_100103153847 [1,0,0,0,0,0|1,0,2]=4 1708 B8R0.7 C#CCCOCC(=O)C 34a_100000211253_100000688953 [1,0,0,0,0,0|1,0,2]=4 1709 B8R0.7 C#CCOCCC(=O)C 1458a_100000070787_100010402529 [1,0,0,0,0,0|1,0,2]=4 1710 B8R0.7 C#CCOCCC(=O)C 1458a_100000693358_200000210301 [1,0,0,0,0,0|1,0,2]=4 1711 B8R0.7 C#CCOCCC(=O)C 34a_100000759926_100000184674 [1,0,0,0,0,0|1,0,2]=4 1712 B8R0.7 C#CCOCCC(=O)C 7a_100000759926_100000038162 [1,0,0,0,0,0|1,0,2]=4 1713 B8R0.7 C#CCOCCC(=O)[13CH3] 1458a_100000693358_200025704644 [1,0,0,0,0,0|1,0,2]=4 1714 B8R0.7 C#CCSCCC(=O)C 62a_100000038162_100000053229 [1,0,0,0,0,0|1,0,2]=4 1715 B8R0.7 C/C=C/COCC(=O)C 34a_100000211253_100102629194 [1,0,0,0,0,0|1,0,2]=4 1716 B8R0.7 C=C(Br)CCOCCC 34a_100009813270_100000210303 [1,0,0,0,0,0|2,0,1]=4 1717 B8R0.7 C=C(C)CCNCCF 34a_100000724931_100000730704 [1,0,0,0,0,0|3,0,0]=4 1718 B8R0.7 C=C(C)CCNCCO 2230a_100016997473_100000730704 [1,0,0,0,0,0|3,0,0]=4 1719 B8R0.7 C=C(C)CCNCCO 34a_100016990907_100000730704 [1,0,0,0,0,0|3,0,0]=4 1720 B8R0.7 C=C(C)CCOCCBr 34a_100000211926_100000730704 [1,0,0,0,0,0|3,0,0]=4 1721 B8R0.7 C=C(C)CCOCCC 34a_100000210258_100000730704 [1,0,0,0,0,0|2,0,0]=3 1722 B8R0.7 C=C(C)CCOCCC 34a_100000764851_100000210303 [1,0,0,0,0,0|2,0,0]=3 1723 B8R0.7 C=C(C)CCOCCF 34a_100000764851_100011217306 [1,0,0,0,0,0|3,0,0]=4 1724 B8R0.7 C=C(C)CCOCCN 34a_100000210304_100000730704 [1,0,0,0,0,0|3,0,0]=4 1725 B8R0.7 C=C(C)CCOCCO 34a_100000764851_100000211926 [1,0,0,0,0,0|3,0,0]=4 1726 B8R0.7 C=C(C)CCOCSC 34a_100000764851_100011218213 [1,0,0,0,0,0|3,0,0]=4 1727 B8R0.7 C=C(C)CCSCCC 62a_100000210303_100000730704 [1,0,0,0,0,0|2,0,0]=3 1728 B8R0.7 C=C(C)CCSCCC 62a_100000730704_100000210303 [1,0,0,0,0,0|2,0,0]=3 1729 B8R0.7 C=C(C)CCSCCF 62a_100000730704_100011217306 [1,0,0,0,0,0|3,0,0]=4 1730 B8R0.7 C=C(C)CCSCCF 62a_100011217306_100000730704 [1,0,0,0,0,0|3,0,0]=4 1731 B8R0.7 C=C(C)CCSCCO 62a_100000211926_100000730704 [1,0,0,0,0,0|3,0,0]=4 1732 B8R0.7 C=C(C)CCSCCO 62a_100000730704_100000211926 [1,0,0,0,0,0|3,0,0]=4 1733 B8R0.7 C=C(C)CCSCOC 62a_100000730704_100000766300 [1,0,0,0,0,0|3,0,0]=4 1734 B8R0.7 C=C(C)CCSCOC 62a_100000766300_100000730704 [1,0,0,0,0,0|3,0,0]=4 1735 B8R0.7 C=C(C)CCSCSC 62a_100000730704_100011218213 [1,0,0,0,0,0|3,0,0]=4 1736 B8R0.7 C=C(C)CCSCSC 62a_100011218213_100000730704 [1,0,0,0,0,0|3,0,0]=4 1737 B8R0.7 C=C(C)CNCCCC 2230a_100000102301_100000748629 [1,0,0,0,0,0|2,0,0]=3 1738 B8R0.7 C=C(C)CNCCCC 7a_106832991798_100000748629 [1,0,0,0,0,0|2,0,0]=3 1739 B8R0.7 C=C(C)CNCCCF 2230a_100015189416_100000748629 [1,0,0,0,0,0|3,0,0]=4 1740 B8R0.7 C=C(C)CNCCCF 34a_100015189416_100000748629 [1,0,0,0,0,0|3,0,0]=4 1741 B8R0.7 C=C(C)CNCCOC 2230a_100000209980_100000748629 [1,0,0,0,0,0|3,0,0]=4 1742 B8R0.7 C=C(C)CNCCSC 2230a_100020590264_100000748629 [1,0,0,0,0,0|3,0,0]=4 1743 B8R0.7 C=C(C)COCCCBr 34a_100011217188_100000748629 [1,0,0,0,0,0|3,0,0]=4 1744 B8R0.7 C=C(C)COCCCC 34a_100000210227_100000748629 [1,0,0,0,0,0|2,0,0]=3 1745 B8R0.7 C=C(C)COCCCC 34a_100000210245_100000210210 [1,0,0,0,0,0|2,0,0]=3 1746 B8R0.7 C=C(C)COCCCC 7a_100000210227_100000748629 [1,0,0,0,0,0|2,0,0]=3 1747 B8R0.7 C=C(C)COCCCCl 34a_100000230001_100000748629 [1,0,0,0,0,0|3,0,0]=4 1748 B8R0.7 C=C(C)COCCCF 34a_100000210245_100011934791 [1,0,0,0,0,0|3,0,0]=4 1749 B8R0.7 C=C(C)COCCCF 34a_100000759539_100000748629 [1,0,0,0,0,0|3,0,0]=4 1750 B8R0.7 C=C(C)COCCCN 34a_100000182051_100000748629 [1,0,0,0,0,0|3,0,0]=4 1751 B8R0.7 C=C(C)COCCCO 34a_100000210245_100000230001 [1,0,0,0,0,0|3,0,0]=4 1752 B8R0.7 C=C(C)COCCOC 34a_100000210237_100000748629 [1,0,0,0,0,0|3,0,0]=4 1753 B8R0.7 C=C(C)COCCOC 34a_100000210245_100011201679 [1,0,0,0,0,0|3,0,0]=4 1754 B8R0.7 C=C(C)COCCSC 34a_100000210245_100000212216 [1,0,0,0,0,0|3,0,0]=4 1755 B8R0.7 C=C(C)COCCSC 34a_100000230434_100000748629 [1,0,0,0,0,0|3,0,0]=4 1756 B8R0.7 C=C(C)COCCSC 7a_100000230434_100000748629 [1,0,0,0,0,0|3,0,0]=4 1757 B8R0.7 C=C(C)CSCCCC 62a_100000210211_100000211660 [1,0,0,0,0,0|2,0,0]=3 1758 B8R0.7 C=C(C)CSCCCC 62a_100000748629_100000210210 [1,0,0,0,0,0|2,0,0]=3 1759 B8R0.7 C=C(C)CSCCCF 62a_100000748629_100011934791 [1,0,0,0,0,0|3,0,0]=4 1760 B8R0.7 C=C(C)CSCCCF 62a_100011934791_100000211660 [1,0,0,0,0,0|3,0,0]=4 1761 B8R0.7 C=C(C)CSCCCO 62a_100000748629_100011215043 [1,0,0,0,0,0|3,0,0]=4 1762 B8R0.7 C=C(C)CSCCCO 62a_100011215043_100000211660 [1,0,0,0,0,0|3,0,0]=4 1763 B8R0.7 C=C(C)CSCCOC 62a_100000233755_100000211660 [1,0,0,0,0,0|3,0,0]=4 1764 B8R0.7 C=C(C)CSCCOC 62a_100000748629_100000233755 [1,0,0,0,0,0|3,0,0]=4 1765 B8R0.7 C=C(C)CSCCSC 62a_100000212216_100000211660 [1,0,0,0,0,0|3,0,0]=4 1766 B8R0.7 C=C(C)CSCCSC 62a_100000748629_100000751147 [1,0,0,0,0,0|3,0,0]=4 1767 B8R0.7 C=C(C)CSCOCC 62a_100000739092_100000211660 [1,0,0,0,0,0|3,0,0]=4 1768 B8R0.7 C=C(C)CSCOCC 62a_100000748629_100000739092 [1,0,0,0,0,0|3,0,0]=4 1769 B8R0.7 C=C(F)CNCCCC 2230a_100000102301_100009893438 [1,0,0,0,0,0|2,0,1]=4 1770 B8R0.7 C=C(F)CNCCCC 7a_106832991798_100000042424 [1,0,0,0,0,0|2,0,1]=4 1771 B8R0.7 C=C(F)COCCCC 34a_100000210227_100009893438 [1,0,0,0,0,0|2,0,1]=4 1772 B8R0.7 C=C(F)COCCCC 34a_200010262243_100000210210 [1,0,0,0,0,0|2,0,1]=4 1773 B8R0.7 C=C(F)COCCCC 7a_100000210227_100000042424 [1,0,0,0,0,0|2,0,1]=4 1774 B8R0.7 C=C(F)CSCCCC 62a_100000042424_100000210210 [1,0,0,0,0,0|2,0,1]=4 1775 B8R0.7 C=C(F)CSCCCC 62a_100000210211_100000042424 [1,0,0,0,0,0|2,0,1]=4 1776 B8R0.7 C=CCCCCC(=O)C 1458a_100000070787_100011215482 [1,0,0,0,0,0|0,0,2]=3 1777 B8R0.7 C=CCCCCC(=O)C 1458a_100011215552_200000210301 [1,0,0,0,0,0|0,0,2]=3 1778 B8R0.7 C=CCCCCC(=O)[13CH3] 1458a_100011215552_200025704644 [1,0,0,0,0,0|0,0,2]=3 1779 B8R0.7 C=CCCCNC(=O)C 11a_100000700776_100015343762 [1,0,0,0,0,0|1,0,2]=4 1780 B8R0.7 C=CCCCNC(=O)C 1626a_100000700776_100015343762 [1,0,0,0,0,0|1,0,2]=4 1781 B8R0.7 C=CCCCNC(=O)C 240690a_100000700776_100015343762 [1,0,0,0,0,0|1,0,2]=4 1782 B8R0.7 C=CCCCNC(=O)C 527a_100000700776_100103153847 [1,0,0,0,0,0|1,0,2]=4 1783 B8R0.7 C=CCCOCC(=O)C 34a_100000211253_100000754431 [1,0,0,0,0,0|1,0,2]=4 1784 B8R0.7 C=CCOCCC(=O)C 1458a_200011217002_200000210301 [1,0,0,0,0,0|1,0,2]=4 1785 B8R0.7 C=CCOCCC(=O)C 34a_100000759926_100015514636 [1,0,0,0,0,0|1,0,2]=4 1786 B8R0.7 C=CCOCCC(=O)C 7a_100000759926_100015514636 [1,0,0,0,0,0|1,0,2]=4 1787 B8R0.7 C=CCOCCC(=O)[13CH3] 1458a_200011217002_200025704644 [1,0,0,0,0,0|1,0,2]=4 1788 B8R0.7 C=CCSCCC(=O)C 62a_100000053229_100000210623 [1,0,0,0,0,0|1,0,2]=4 1789 B8R0.7 C=CCSCCC(=O)C 62a_100000210623_100000053229 [1,0,0,0,0,0|1,0,2]=4 1790 B8R0.7 CC#CCOCC(=O)C 34a_100000211253_100000748600 [1,0,0,0,0,0|1,0,2]=4 1791 B8R0.7 CC(=O)CCCCC#N 1458a_100000070787_100000211819 [1,0,0,0,0,0|1,0,1]=3 1792 B8R0.7 CC(=O)CCCCCF 1458a_100000070787_100000729378 [1,0,0,0,0,0|1,0,0]=2 1793 B8R0.7 CC(=O)CCCCCO 1458a_100000070787_100000746330 [1,0,0,0,0,0|1,0,0]=2 1794 B8R0.7 CC(=O)CCCCCO 1458a_100102619762_200000210301 [1,0,0,0,0,0|1,0,0]=2 1795 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [1,0,0,0,0,0|1,0,0]=2 1796 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [1,0,0,0,0,0|1,0,0]=2 1797 B8R0.7 CC(=O)CCCN=[N+]=[N-] 1458a_100010262590_200000210301 [1,0,0,0,0,0|3,0,0]=4 1798 B8R0.7 CC(=O)CCCOCF 34a_100000759063_100015361967 [1,0,0,0,0,0|2,0,0]=3 1799 B8R0.7 CC(=O)CCCOCF 7a_100000759063_100015361967 [1,0,0,0,0,0|2,0,0]=3 1800 B8R0.7 CC(=O)CCCSCF 62a_100011215641_100015361967 [1,0,0,0,0,0|2,0,0]=3 1801 B8R0.7 CC(=O)CCCSCF 62a_100015361967_100011215641 [1,0,0,0,0,0|2,0,0]=3 1802 B8R0.7 CC(=O)CCOCC#N 1458a_100000070787_200000047693 [1,0,0,0,0,0|2,0,1]=4 1803 B8R0.7 CC(=O)CCOCC#N 7a_100000759926_100011215382 [1,0,0,0,0,0|2,0,1]=4 1804 B8R0.7 CC(=O)CCOCC=O 34a_100000759926_200009817547 [1,0,0,0,0,0|2,0,1]=4 1805 B8R0.7 CC(=O)CCOCC=O 7a_100000759926_200015260668 [1,0,0,0,0,0|2,0,1]=4 1806 B8R0.7 CC(=O)CCOCCF 34a_100000759926_100011217306 [1,0,0,0,0,0|2,0,0]=3 1807 B8R0.7 CC(=O)CCOCCF 7a_100000759926_100011217306 [1,0,0,0,0,0|2,0,0]=3 1808 B8R0.7 CC(=O)CCOCCO 1458a_100000070787_100011215305 [1,0,0,0,0,0|2,0,0]=3 1809 B8R0.7 CC(=O)CCOCCO 1458a_100011229844_200000210301 [1,0,0,0,0,0|2,0,0]=3 1810 B8R0.7 CC(=O)CCOCCO 34a_100000759926_100000211926 [1,0,0,0,0,0|2,0,0]=3 1811 B8R0.7 CC(=O)CCOCCO 7a_100000759926_100000211926 [1,0,0,0,0,0|2,0,0]=3 1812 B8R0.7 CC(=O)CCSCC#N 62a_100000053229_100011215382 [1,0,0,0,0,0|2,0,1]=4 1813 B8R0.7 CC(=O)CCSCC#N 62a_100011215382_100000053229 [1,0,0,0,0,0|2,0,1]=4 1814 B8R0.7 CC(=O)CCSCC=O 62a_100000053229_200015260668 [1,0,0,0,0,0|2,0,1]=4 1815 B8R0.7 CC(=O)CCSCC=O 62a_200015260668_100000053229 [1,0,0,0,0,0|2,0,1]=4 1816 B8R0.7 CC(=O)CCSCCF 62a_100000053229_100011217306 [1,0,0,0,0,0|2,0,0]=3 1817 B8R0.7 CC(=O)CCSCCF 62a_100011217306_100000053229 [1,0,0,0,0,0|2,0,0]=3 1818 B8R0.7 CC(=O)CCSCCO 62a_100000053229_100000211926 [1,0,0,0,0,0|2,0,0]=3 1819 B8R0.7 CC(=O)CCSCCO 62a_100000211926_100000053229 [1,0,0,0,0,0|2,0,0]=3 1820 B8R0.7 CC(=O)COCCCF 34a_100000211253_100011934791 [1,0,0,0,0,0|2,0,0]=3 1821 B8R0.7 CC(=O)COCCCO 34a_100000211253_100000230001 [1,0,0,0,0,0|2,0,0]=3 1822 B8R0.7 CC(=O)NCCCCO 240690a_100000750430_100015343762 [1,0,0,0,0,0|2,0,0]=3 1823 B8R0.7 CC(=O)NCCCCO 527a_100000750430_100103153847 [1,0,0,0,0,0|2,0,0]=3 1824 B8R0.7 CC(=O)NCCCN[13CH3] 34a_100000736810_200025704644 [1,0,0,0,0,0|2,0,0]=3 1825 B8R0.7 CC(=O)NCCCO[13CH3] 34a_100000752032_200025704644 [1,0,0,0,0,0|2,0,0]=3 1826 B8R0.7 CC(=O)NCCOCF 34a_100000158858_100015361967 [1,0,0,0,0,0|3,0,0]=4 1827 B8R0.7 CC(=O)NCCSCF 62a_100000189650_100015361967 [1,0,0,0,0,0|3,0,0]=4 1828 B8R0.7 CC(=O)NCCSCF 62a_100015361967_100000189650 [1,0,0,0,0,0|3,0,0]=4 1829 B8R0.7 CC(=O)OCCCS[13CH3] 62a_100000042594_200025704644 [1,0,0,0,0,0|2,0,0]=3 1830 B8R0.7 CC(=O)OCCCS[13CH3] 62a_200025704644_100000042594 [1,0,0,0,0,0|2,0,0]=3 1831 B8R0.7 CC(=O)OCCSCF 62a_100009814007_100015361967 [1,0,0,0,0,0|3,0,0]=4 1832 B8R0.7 CC(=O)OCCSCF 62a_100015361967_100009814007 [1,0,0,0,0,0|3,0,0]=4 1833 B8R0.7 CC(=O)OCNCCF 34a_100000724931_100009813279 [1,0,0,0,0,0|3,0,0]=4 1834 B8R0.7 CC(=O)OCNCCO 34a_100016990907_100009813279 [1,0,0,0,0,0|3,0,0]=4 1835 B8R0.7 CC(=O)OCOCCBr 34a_100000211926_100009813279 [1,0,0,0,0,0|3,0,0]=4 1836 B8R0.7 CC(=O)OCOCCN 34a_100000210304_100009813279 [1,0,0,0,0,0|3,0,0]=4 1837 B8R0.7 CC(=O)OCSCCF 62a_100000076356_100011217306 [1,0,0,0,0,0|3,0,0]=4 1838 B8R0.7 CC(=O)OCSCCF 62a_100011217306_100000076356 [1,0,0,0,0,0|3,0,0]=4 1839 B8R0.7 CC(=O)OCSCCO 62a_100000076356_100000211926 [1,0,0,0,0,0|3,0,0]=4 1840 B8R0.7 CC(=O)OCSCCO 62a_100000211926_100000076356 [1,0,0,0,0,0|3,0,0]=4 1841 B8R0.7 CC(=O)SCCCS[13CH3] 62a_100000038929_200025704644 [1,0,0,0,0,0|2,0,0]=3 1842 B8R0.7 CC(=O)SCCCS[13CH3] 62a_200025704644_100000038929 [1,0,0,0,0,0|2,0,0]=3 1843 B8R0.7 CC(=S)OCCCS[13CH3] 62a_200025704644_200135323944 [1,0,0,0,0,0|2,1,0]=4 1844 B8R0.7 CC(=S)OCCCS[13CH3] 62a_200135323944_200025704644 [1,0,0,0,0,0|2,1,0]=4 1845 B8R0.7 CC(C)CCCCO[13CH3] 34a_100011214890_200025704644 [1,0,0,0,0,0|2,0,1]=4 1846 B8R0.7 CC(C)CCCCO[13CH3] 7a_100011214890_200025704644 [1,0,0,0,0,0|2,0,1]=4 1847 B8R0.7 CC(C)CCCCS[13CH3] 62a_100011216152_200025704644 [1,0,0,0,0,0|2,0,1]=4 1848 B8R0.7 CC(C)CCCCS[13CH3] 62a_200025704644_100011216152 [1,0,0,0,0,0|2,0,1]=4 1849 B8R0.7 CC/C=C\CCC(=O)C 1458a_100000070787_100015370543 [1,0,0,0,0,0|0,0,2]=3 1850 B8R0.7 CC=CCOCC(=O)C 34a_100000211253_100000070051 [1,0,0,0,0,0|1,0,2]=4 1851 B8R0.7 CCC/C=C/CC(=O)C 1458a_200016266809_200000210301 [1,0,0,0,0,0|0,0,2]=3 1852 B8R0.7 CCC/C=C/CC(=O)[13CH3] 1458a_200016266809_200025704644 [1,0,0,0,0,0|0,0,2]=3 1853 B8R0.7 CCCC=NNC(=O)C 4a_100000189765_100000185831 [1,0,0,0,0,0|2,0,1]=4 1854 B8R0.7 CCCCC=CC(=O)C 1458a_100016266645_200000210301 [1,0,0,0,0,0|0,0,2]=3 1855 B8R0.7 CCCCC=CC(=O)[13CH3] 1458a_100016266645_200025704644 [1,0,0,0,0,0|0,0,2]=3 1856 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [1,0,0,0,0,0|0,0,0]=1 1857 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [1,0,0,0,0,0|0,0,0]=1 1858 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [1,0,0,0,0,0|0,0,0]=1 1859 B8R0.7 CCCCCCN(C)C 2230a_100102631434_100000210314 [1,0,0,0,0,0|2,0,0]=3 1860 B8R0.7 CCCCCCN(C)C 2230a_106256046315_200000210301 [1,0,0,0,0,0|2,0,0]=3 1861 B8R0.7 CCCCCCN(C)C 269982a_100102631434_100000210757 [1,0,0,0,0,0|2,0,0]=3 1862 B8R0.7 CCCCCCN(C)C 269982a_106256046315_200000210301 [1,0,0,0,0,0|2,0,0]=3 1863 B8R0.7 CCCCCCN(C)[13CH3] 2230a_106256046315_200025704644 [1,0,0,0,0,0|2,0,0]=3 1864 B8R0.7 CCCCCCN(C)[13CH3] 269982a_106256046315_200025704644 [1,0,0,0,0,0|2,0,0]=3 1865 B8R0.7 CCCCCNC(=O)C 11a_100000209983_100015343762 [1,0,0,0,0,0|1,0,0]=2 1866 B8R0.7 CCCCCNC(=O)C 1626a_100000209983_100015343762 [1,0,0,0,0,0|1,0,0]=2 1867 B8R0.7 CCCCCNC(=O)C 240690a_100000209983_100015343762 [1,0,0,0,0,0|1,0,0]=2 1868 B8R0.7 CCCCCNC(=O)C 527a_100000209983_100103153847 [1,0,0,0,0,0|1,0,0]=2 1869 B8R0.7 CCCCCNC(C)C 2230a_100000209983_100000210206 [1,0,0,0,0,0|2,0,1]=4 1870 B8R0.7 CCCCCNC(C)C 2230a_100138425928_100000210326 [1,0,0,0,0,0|2,0,1]=4 1871 B8R0.7 CCCCCNC(C)C 34a_100138425928_100000718602 [1,0,0,0,0,0|2,0,1]=4 1872 B8R0.7 CCCCCOC(C)C 34a_100000210253_100000210206 [1,0,0,0,0,0|2,0,1]=4 1873 B8R0.7 CCCCCOC(C)C 34a_100000212225_100000718602 [1,0,0,0,0,0|2,0,1]=4 1874 B8R0.7 CCCCCOC(C)C 7a_100000210253_100000210206 [1,0,0,0,0,0|2,0,1]=4 1875 B8R0.7 CCCCCSC(C)C 62a_100000210206_100000210326 [1,0,0,0,0,0|2,0,1]=4 1876 B8R0.7 CCCCCSC(C)C 62a_100000210326_100000210206 [1,0,0,0,0,0|2,0,1]=4 1877 B8R0.7 CCCCNCC(=O)N 2230a_100000102301_100000747473 [1,0,0,0,0,0|2,0,0]=3 1878 B8R0.7 CCCCNCC(=O)N 2230a_100000711301_100000210211 [1,0,0,0,0,0|2,0,0]=3 1879 B8R0.7 CCCCNCC(=O)N 7a_106832991798_100000187820 [1,0,0,0,0,0|2,0,0]=3 1880 B8R0.7 CCCCNCC(=O)O 269956a_100016091260_100000210211 [1,0,0,0,0,0|2,0,0]=3 1881 B8R0.7 CCCCNCC(C)C 2230a_100000102301_100000210760 [1,0,0,0,0,0|2,0,1]=4 1882 B8R0.7 CCCCNCC(C)C 2230a_100000210953_100000210211 [1,0,0,0,0,0|2,0,1]=4 1883 B8R0.7 CCCCNCC(C)C 270004a_100000102301_100000210432 [1,0,0,0,0,0|2,0,1]=4 1884 B8R0.7 CCCCNCC(C)C 34a_100000210953_100000210210 [1,0,0,0,0,0|2,0,1]=4 1885 B8R0.7 CCCCNCC(C)C 7a_106832991798_100000210760 [1,0,0,0,0,0|2,0,1]=4 1886 B8R0.7 CCCCNCC(C)O 2230a_100000102301_100011218427 [1,0,0,0,0,0|1,0,2]=4 1887 B8R0.7 CCCCNCC(C)O 2230a_100000210904_100000210211 [1,0,0,0,0,0|1,0,2]=4 1888 B8R0.7 CCCCNCC(C)O 34a_100000210904_100000210210 [1,0,0,0,0,0|1,0,2]=4 1889 B8R0.7 CCCCNCC(C)O 7a_106832991798_100011218427 [1,0,0,0,0,0|1,0,2]=4 1890 B8R0.7 CCCCNC[C@@H](C)O 2230a_100000102301_100009817552 [1,0,0,0,0,0|1,0,2]=4 1891 B8R0.7 CCCCNC[C@@H](C)O 7a_106832991798_100009817552 [1,0,0,0,0,0|1,0,2]=4 1892 B8R0.7 CCCCNNC(=O)C 22a_100025702795_100000070787 [1,0,0,0,0,0|2,0,0]=3 1893 B8R0.7 CCCCOCC(=O)C 1458a_100000070787_100011995733 [1,0,0,0,0,0|1,0,0]=2 1894 B8R0.7 CCCCOCC(=O)C 1458a_100000757543_200000210301 [1,0,0,0,0,0|1,0,0]=2 1895 B8R0.7 CCCCOCC(=O)C 34a_100000211253_100000210210 [1,0,0,0,0,0|1,0,0]=2 1896 B8R0.7 CCCCOCC(=O)N 34a_100000210227_100000187820 [1,0,0,0,0,0|2,0,0]=3 1897 B8R0.7 CCCCOCC(=O)N 7a_100000210227_100000187820 [1,0,0,0,0,0|2,0,0]=3 1898 B8R0.7 CCCCOCC(=O)[13CH3] 1458a_100000757543_200025704644 [1,0,0,0,0,0|1,0,0]=2 1899 B8R0.7 CCCCOCC(=O)[O-] 34a_100000210227_100020667443 [1,0,0,0,0,0|2,0,0]=3 1900 B8R0.7 CCCCOCC(C)Br 34a_100012180447_100000210210 [1,0,0,0,0,0|2,0,1]=4 1901 B8R0.7 CCCCOCC(C)C 34a_100000210227_100000210624 [1,0,0,0,0,0|2,0,1]=4 1902 B8R0.7 CCCCOCC(C)C 34a_100000210257_100000210210 [1,0,0,0,0,0|2,0,1]=4 1903 B8R0.7 CCCCOCC(C)C 7a_100000210227_100000210760 [1,0,0,0,0,0|2,0,1]=4 1904 B8R0.7 CCCCOCC(C)F 34a_100015925927_100000210210 [1,0,0,0,0,0|2,0,1]=4 1905 B8R0.7 CCCCOCC(C)O 34a_100000210227_100011218427 [1,0,0,0,0,0|1,0,2]=4 1906 B8R0.7 CCCCOCC(C)O 7a_100000210227_100011218427 [1,0,0,0,0,0|1,0,2]=4 1907 B8R0.7 CCCCOCN(C)C 2230a_100102631434_100011995733 [1,0,0,0,0,0|3,0,0]=4 1908 B8R0.7 CCCCOCN(C)C 269982a_100102631434_100011995733 [1,0,0,0,0,0|3,0,0]=4 1909 B8R0.7 CCCCOC[C@@H](C)Cl 34a_100016084084_100000210210 [1,0,0,0,0,0|2,0,1]=4 1910 B8R0.7 CCCCOC[C@@H](C)N 34a_100000737577_100000210210 [1,0,0,0,0,0|2,0,1]=4 1911 B8R0.7 CCCCOC[C@@H](C)O 34a_100000210227_100009817552 [1,0,0,0,0,0|1,0,2]=4 1912 B8R0.7 CCCCOC[C@@H](C)O 7a_100000210227_100009817552 [1,0,0,0,0,0|1,0,2]=4 1913 B8R0.7 CCCCOC[N+](=O)[O-] 34a_100000210227_100000761209 [1,0,0,0,0,0|3,0,0]=4 1914 B8R0.7 CCCCSCC(=O)C 1458a_100000191162_200000210301 [1,0,0,0,0,0|1,0,0]=2 1915 B8R0.7 CCCCSCC(=O)N 62a_100000210211_100000747473 [1,0,0,0,0,0|2,0,0]=3 1916 B8R0.7 CCCCSCC(=O)N 62a_100000747473_100000210210 [1,0,0,0,0,0|2,0,0]=3 1917 B8R0.7 CCCCSCC(=O)[13CH3] 1458a_100000191162_200025704644 [1,0,0,0,0,0|1,0,0]=2 1918 B8R0.7 CCCCSCC(=O)[O-] 62a_100000210211_100020667443 [1,0,0,0,0,0|2,0,0]=3 1919 B8R0.7 CCCCSCC(=O)[O-] 62a_100020667443_100000210210 [1,0,0,0,0,0|2,0,0]=3 1920 B8R0.7 CCCCSCC(C)C 62a_100000210211_100000210760 [1,0,0,0,0,0|2,0,1]=4 1921 B8R0.7 CCCCSCC(C)C 62a_100000210624_100000210210 [1,0,0,0,0,0|2,0,1]=4 1922 B8R0.7 CCCCSCC(C)O 62a_100000210211_100011218427 [1,0,0,0,0,0|1,0,2]=4 1923 B8R0.7 CCCCSCC(C)O 62a_100011218427_100000210210 [1,0,0,0,0,0|1,0,2]=4 1924 B8R0.7 CCCCSC[C@@H](C)O 62a_100000210211_100009817552 [1,0,0,0,0,0|1,0,2]=4 1925 B8R0.7 CCCCSC[C@@H](C)O 62a_100009817552_100000210210 [1,0,0,0,0,0|1,0,2]=4 1926 B8R0.7 CCCCSC[N+](=O)[O-] 62a_100000210211_100000761209 [1,0,0,0,0,0|3,0,0]=4 1927 B8R0.7 CCCNCC=C(C)C 34a_100000718196_100000210303 [1,0,0,0,0,0|2,0,1]=4 1928 B8R0.7 CCCNCCC(C)C 269862a_100020643023_100000185833 [1,0,0,0,0,0|2,0,1]=4 1929 B8R0.7 CCCNCCC(C)O 2230a_200000755665_100000210303 [1,0,0,0,0,0|1,0,2]=4 1930 B8R0.7 CCCNOCC(=O)O 269956a_100000106656_100000210207 [1,0,0,0,0,0|3,0,0]=4 1931 B8R0.7 CCCOCC=C(C)C 34a_100000210258_100000761012 [1,0,0,0,0,0|2,0,1]=4 1932 B8R0.7 CCCOCC=C(C)C 34a_100000753907_100000210303 [1,0,0,0,0,0|2,0,1]=4 1933 B8R0.7 CCCOCCC(=O)C 1458a_100000070787_100011215938 [1,0,0,0,0,0|1,0,0]=2 1934 B8R0.7 CCCOCCC(=O)C 34a_100000759926_100000210303 [1,0,0,0,0,0|1,0,0]=2 1935 B8R0.7 CCCOCCC(=O)C 7a_100000759926_100000210303 [1,0,0,0,0,0|1,0,0]=2 1936 B8R0.7 CCCOCCC(=O)N 34a_100000210258_100000731001 [1,0,0,0,0,0|2,0,0]=3 1937 B8R0.7 CCCOCCC(=O)N 34a_100000757172_100000210303 [1,0,0,0,0,0|2,0,0]=3 1938 B8R0.7 CCCOCCC(=O)N 7a_100000757172_100000210303 [1,0,0,0,0,0|2,0,0]=3 1939 B8R0.7 CCCOCCC(C)Br 34a_100009893172_100000210303 [1,0,0,0,0,0|2,0,1]=4 1940 B8R0.7 CCCOCCC(C)C 34a_100000210254_100000210303 [1,0,0,0,0,0|2,0,1]=4 1941 B8R0.7 CCCOCCC(C)C 34a_100000210258_100000210312 [1,0,0,0,0,0|2,0,1]=4 1942 B8R0.7 CCCOCCC(C)C 7a_100000210254_100000210303 [1,0,0,0,0,0|2,0,1]=4 1943 B8R0.7 CCCOCCC(C)O 34a_100000210258_100012276601 [1,0,0,0,0,0|1,0,2]=4 1944 B8R0.7 CCCOCCN(C)C 2230a_100102631434_100011215938 [1,0,0,0,0,0|3,0,0]=4 1945 B8R0.7 CCCOCCN(C)C 269982a_100102631434_100011215938 [1,0,0,0,0,0|3,0,0]=4 1946 B8R0.7 CCCOCC[C@@H](C)N 34a_100000706166_100000210303 [1,0,0,0,0,0|2,0,1]=4 1947 B8R0.7 CCCOCOC(=O)C 34a_100000210258_100009813279 [1,0,0,0,0,0|2,0,0]=3 1948 B8R0.7 CCCSCC=C(C)C 62a_100000210303_100000761012 [1,0,0,0,0,0|2,0,1]=4 1949 B8R0.7 CCCSCC=C(C)C 62a_100000761012_100000210303 [1,0,0,0,0,0|2,0,1]=4 1950 B8R0.7 CCCSCCC(=O)C 62a_100000053229_100000210303 [1,0,0,0,0,0|1,0,0]=2 1951 B8R0.7 CCCSCCC(=O)C 62a_100000210303_100000053229 [1,0,0,0,0,0|1,0,0]=2 1952 B8R0.7 CCCSCCC(=O)N 62a_100000210303_100000744528 [1,0,0,0,0,0|2,0,0]=3 1953 B8R0.7 CCCSCCC(=O)N 62a_100000744528_100000210303 [1,0,0,0,0,0|2,0,0]=3 1954 B8R0.7 CCCSCCC(C)C 62a_100000210303_100000210312 [1,0,0,0,0,0|2,0,1]=4 1955 B8R0.7 CCCSCCC(C)C 62a_100000210312_100000210303 [1,0,0,0,0,0|2,0,1]=4 1956 B8R0.7 CCCSCCC(C)O 62a_100000210303_100012276601 [1,0,0,0,0,0|1,0,2]=4 1957 B8R0.7 CCCSCCC(C)O 62a_100012276601_100000210303 [1,0,0,0,0,0|1,0,2]=4 1958 B8R0.7 CCCSCCN(C)C 62a_100000210303_100000755713 [1,0,0,0,0,0|3,0,0]=4 1959 B8R0.7 CCCSCOC(=O)C 62a_100000076356_100000210303 [1,0,0,0,0,0|2,0,0]=3 1960 B8R0.7 CCCSCOC(=O)C 62a_100000210303_100000076356 [1,0,0,0,0,0|2,0,0]=3 1961 B8R0.7 CCNCCC=C(C)C 2230a_100015525214_100011217483 [1,0,0,0,0,0|2,0,1]=4 1962 B8R0.7 CCNCCCC(=O)N 34a_100000739312_100000210202 [1,0,0,0,0,0|2,0,0]=3 1963 B8R0.7 CCNCCCC(C)C 2230a_100015525214_100011214892 [1,0,0,0,0,0|2,0,1]=4 1964 B8R0.7 CCNCCCC(C)C 2230a_200000737386_100000210202 [1,0,0,0,0,0|2,0,1]=4 1965 B8R0.7 CCNCCCC(C)C 34a_200000737386_100000210202 [1,0,0,0,0,0|2,0,1]=4 1966 B8R0.7 CCNCCCC(C)O 2230a_100015525214_200000718107 [1,0,0,0,0,0|1,0,2]=4 1967 B8R0.7 CCNCCCS(=O)C 2230a_200000753449_100000210202 [1,0,0,0,0,0|2,0,0]=3 1968 B8R0.7 CCNCCNC(=O)C 2230a_100000209853_100000210202 [1,0,0,0,0,0|2,0,0]=3 1969 B8R0.7 CCNCCNC(=O)C 2230a_100015525214_100000189650 [1,0,0,0,0,0|2,0,0]=3 1970 B8R0.7 CCNCCNC(=O)N 2230a_100015525214_200000034859 [1,0,0,0,0,0|3,0,0]=4 1971 B8R0.7 CCNCCNC(=O)N 34a_100020590234_100000210202 [1,0,0,0,0,0|3,0,0]=4 1972 B8R0.7 CCOCCC=C(C)C 34a_100121572206_100011217483 [1,0,0,0,0,0|2,0,1]=4 1973 B8R0.7 CCOCCCC(=O)C 1458a_100000070787_100012232248 [1,0,0,0,0,0|1,0,0]=2 1974 B8R0.7 CCOCCCC(=O)C 34a_100000759063_100000210202 [1,0,0,0,0,0|1,0,0]=2 1975 B8R0.7 CCOCCCC(=O)C 34a_100121572206_100000685027 [1,0,0,0,0,0|1,0,0]=2 1976 B8R0.7 CCOCCCC(=O)C 7a_100000759063_100000210202 [1,0,0,0,0,0|1,0,0]=2 1977 B8R0.7 CCOCCCC(=O)N 34a_100121572206_100102525003 [1,0,0,0,0,0|2,0,0]=3 1978 B8R0.7 CCOCCCC(C)C 34a_100000210774_100000210202 [1,0,0,0,0,0|2,0,1]=4 1979 B8R0.7 CCOCCCC(C)C 34a_100121572206_100011214892 [1,0,0,0,0,0|2,0,1]=4 1980 B8R0.7 CCOCCCC(C)C 7a_100000210774_100000210202 [1,0,0,0,0,0|2,0,1]=4 1981 B8R0.7 CCOCCCC(C)O 34a_100121572206_200000718107 [1,0,0,0,0,0|1,0,2]=4 1982 B8R0.7 CCOCCCN(C)C 2230a_100102631434_100012232248 [1,0,0,0,0,0|3,0,0]=4 1983 B8R0.7 CCOCCCN(C)C 269982a_100102631434_100012232248 [1,0,0,0,0,0|3,0,0]=4 1984 B8R0.7 CCOCCC[N+](=O)[O-] 34a_200000037920_100000210202 [1,0,0,0,0,0|3,0,0]=4 1985 B8R0.7 CCOCCNC(=O)C 11a_100011200944_100015343762 [1,0,0,0,0,0|2,0,0]=3 1986 B8R0.7 CCOCCNC(=O)C 1626a_102516460346_100015343762 [1,0,0,0,0,0|2,0,0]=3 1987 B8R0.7 CCOCCNC(=O)C 240690a_100011200944_100015343762 [1,0,0,0,0,0|2,0,0]=3 1988 B8R0.7 CCOCCNC(=O)C 34a_100000158858_100000210202 [1,0,0,0,0,0|2,0,0]=3 1989 B8R0.7 CCOCCNC(=O)C 527a_100011200944_100103153847 [1,0,0,0,0,0|2,0,0]=3 1990 B8R0.7 CCOCCNC(=O)N 34a_100000181757_100000210202 [1,0,0,0,0,0|3,0,0]=4 1991 B8R0.7 CCOCCOC(=O)C 34a_100121572206_100009814007 [1,0,0,0,0,0|2,0,0]=3 1992 B8R0.7 CCOCCOC(=O)N 34a_100121572206_200011214921 [1,0,0,0,0,0|3,0,0]=4 1993 B8R0.7 CCOCCOC(=O)N 7a_100000766696_100000210202 [1,0,0,0,0,0|3,0,0]=4 1994 B8R0.7 CCOCNCC(=O)O 269956a_100016091260_100000739092 [1,0,0,0,0,0|3,0,0]=4 1995 B8R0.7 CCOCSCC(=O)N 62a_100000739092_100000747473 [1,0,0,0,0,0|3,0,0]=4 1996 B8R0.7 CCOCSCC(=O)N 62a_100000747473_100000739092 [1,0,0,0,0,0|3,0,0]=4 1997 B8R0.7 CCOCSCC(=O)[O-] 62a_100000739092_100020667443 [1,0,0,0,0,0|3,0,0]=4 1998 B8R0.7 CCOCSCC(=O)[O-] 62a_100020667443_100000739092 [1,0,0,0,0,0|3,0,0]=4 1999 B8R0.7 CCSCCC=C(C)C 62a_100000210202_100011217483 [1,0,0,0,0,0|2,0,1]=4 2000 B8R0.7 CCSCCC=C(C)C 62a_100011217483_100000210202 [1,0,0,0,0,0|2,0,1]=4 2001 B8R0.7 CCSCCCC(=O)C 62a_100000210202_100011215641 [1,0,0,0,0,0|1,0,0]=2 2002 B8R0.7 CCSCCCC(=O)C 62a_100011215641_100000210202 [1,0,0,0,0,0|1,0,0]=2 2003 B8R0.7 CCSCCCC(=O)N 62a_100000210202_100102525003 [1,0,0,0,0,0|2,0,0]=3 2004 B8R0.7 CCSCCCC(=O)N 62a_100102525003_100000210202 [1,0,0,0,0,0|2,0,0]=3 2005 B8R0.7 CCSCCCC(C)C 62a_100000210202_100011214892 [1,0,0,0,0,0|2,0,1]=4 2006 B8R0.7 CCSCCCC(C)C 62a_100011214892_100000210202 [1,0,0,0,0,0|2,0,1]=4 2007 B8R0.7 CCSCCCC(C)O 62a_100000210202_200000718107 [1,0,0,0,0,0|1,0,2]=4 2008 B8R0.7 CCSCCCC(C)O 62a_200000718107_100000210202 [1,0,0,0,0,0|1,0,2]=4 2009 B8R0.7 CCSCCCN(C)C 62a_100000210202_100000757444 [1,0,0,0,0,0|3,0,0]=4 2010 B8R0.7 CCSCCNC(=O)C 11a_100000106463_100015343762 [1,0,0,0,0,0|2,0,0]=3 2011 B8R0.7 CCSCCNC(=O)C 1626a_100000106463_100015343762 [1,0,0,0,0,0|2,0,0]=3 2012 B8R0.7 CCSCCNC(=O)C 240690a_100000106463_100015343762 [1,0,0,0,0,0|2,0,0]=3 2013 B8R0.7 CCSCCNC(=O)C 527a_100000106463_100103153847 [1,0,0,0,0,0|2,0,0]=3 2014 B8R0.7 CCSCCNC(=O)C 62a_100000189650_100000210202 [1,0,0,0,0,0|2,0,0]=3 2015 B8R0.7 CCSCCNC(=O)C 62a_100000210202_100000189650 [1,0,0,0,0,0|2,0,0]=3 2016 B8R0.7 CCSCCNC(=O)N 62a_100000210202_200000034859 [1,0,0,0,0,0|3,0,0]=4 2017 B8R0.7 CCSCCNC(=O)N 62a_200000034859_100000210202 [1,0,0,0,0,0|3,0,0]=4 2018 B8R0.7 CCSCCOC(=O)C 62a_100000210202_100009814007 [1,0,0,0,0,0|2,0,0]=3 2019 B8R0.7 CCSCCOC(=O)C 62a_100009814007_100000210202 [1,0,0,0,0,0|2,0,0]=3 2020 B8R0.7 CCSCCOC(=O)N 62a_100000210202_200011214921 [1,0,0,0,0,0|3,0,0]=4 2021 B8R0.7 CCSCCOC(=O)N 62a_200011214921_100000210202 [1,0,0,0,0,0|3,0,0]=4 2022 B8R0.7 CN(C)CCCCCF 2230a_100102631434_100000729378 [1,0,0,0,0,0|3,0,0]=4 2023 B8R0.7 CN(C)CCCCCF 269982a_100102631434_100000729378 [1,0,0,0,0,0|3,0,0]=4 2024 B8R0.7 CN(C)CCCCCO 2230a_100000722520_200000210301 [1,0,0,0,0,0|3,0,0]=4 2025 B8R0.7 CN(C)CCCCCO 2230a_100102631434_100000746330 [1,0,0,0,0,0|3,0,0]=4 2026 B8R0.7 CN(C)CCCCCO 269982a_100000722520_200000210301 [1,0,0,0,0,0|3,0,0]=4 2027 B8R0.7 CN(C)CCCCCO 269982a_100102631434_100000746330 [1,0,0,0,0,0|3,0,0]=4 2028 B8R0.7 CN(C)CCCCS[13CH3] 62a_200025704644_100000690147 [1,0,0,0,0,0|3,0,0]=4 2029 B8R0.7 CN([13CH3])CCCCCO 2230a_100000722520_200025704644 [1,0,0,0,0,0|3,0,0]=4 2030 B8R0.7 CN([13CH3])CCCCCO 269982a_100000722520_200025704644 [1,0,0,0,0,0|3,0,0]=4 2031 B8R0.7 CNCCCCC(=O)C 34a_100102657272_100009817362 [1,0,0,0,0,0|1,0,0]=2 2032 B8R0.7 CNCCCCC(=O)C 7a_106832991635_100000735457 [1,0,0,0,0,0|1,0,0]=2 2033 B8R0.7 CNCCCCC(=O)N 34a_100000696515_200000210301 [1,0,0,0,0,0|2,0,0]=3 2034 B8R0.7 CNCCCCC(C)C 2230a_106832991635_100011216152 [1,0,0,0,0,0|2,0,1]=4 2035 B8R0.7 CNCCCCC(C)C 34a_100102657272_100011216152 [1,0,0,0,0,0|2,0,1]=4 2036 B8R0.7 CNCCCCC(C)C 7a_106832991635_100011216152 [1,0,0,0,0,0|2,0,1]=4 2037 B8R0.7 CNCCCNC(=O)C 34a_100000736810_200000210301 [1,0,0,0,0,0|2,0,0]=3 2038 B8R0.7 CNCCCOC(=O)C 34a_100102657272_100000042594 [1,0,0,0,0,0|2,0,0]=3 2039 B8R0.7 CNCCCOC(=O)C 7a_106832991635_100000042594 [1,0,0,0,0,0|2,0,0]=3 2040 B8R0.7 CNCCCOC(=S)C 2230a_106832991635_200135323944 [1,0,0,0,0,0|2,1,0]=4 2041 B8R0.7 CNCCCOC(=S)C 34a_100102657272_200135323944 [1,0,0,0,0,0|2,1,0]=4 2042 B8R0.7 CNCCCOC(=S)C 7a_106832991635_200135323944 [1,0,0,0,0,0|2,1,0]=4 2043 B8R0.7 CNCCCSC(=O)C 2230a_106832991635_100000038929 [1,0,0,0,0,0|2,0,0]=3 2044 B8R0.7 CNCCCSC(=O)C 34a_100102657272_100000038929 [1,0,0,0,0,0|2,0,0]=3 2045 B8R0.7 CNCCCSC(=O)C 7a_106832991635_100000038929 [1,0,0,0,0,0|2,0,0]=3 2046 B8R0.7 CNCCOCC(=O)N 2230a_106832991635_100000076697 [1,0,0,0,0,0|3,0,0]=4 2047 B8R0.7 CNCCOCC(=O)N 34a_100102657272_100000076697 [1,0,0,0,0,0|3,0,0]=4 2048 B8R0.7 CNCCOCC(=O)N 7a_106832991635_100000076697 [1,0,0,0,0,0|3,0,0]=4 2049 B8R0.7 CNCCOCC(=O)O 269956a_100000700818_200000210301 [1,0,0,0,0,0|3,0,0]=4 2050 B8R0.7 COCCCCC(=O)C 1458a_100000070787_100000755781 [1,0,0,0,0,0|1,0,0]=2 2051 B8R0.7 COCCCCC(=O)C 34a_100138415774_100009817362 [1,0,0,0,0,0|1,0,0]=2 2052 B8R0.7 COCCCCC(=O)N 34a_100012022536_200000210301 [1,0,0,0,0,0|2,0,0]=3 2053 B8R0.7 COCCCCC(=O)N 7a_100012022536_200000210301 [1,0,0,0,0,0|2,0,0]=3 2054 B8R0.7 COCCCCC(C)C 34a_100011214890_200000210301 [1,0,0,0,0,0|2,0,1]=4 2055 B8R0.7 COCCCCC(C)C 34a_100138415774_100011216152 [1,0,0,0,0,0|2,0,1]=4 2056 B8R0.7 COCCCCC(C)C 7a_100011214890_200000210301 [1,0,0,0,0,0|2,0,1]=4 2057 B8R0.7 COCCCCN(C)C 2230a_100102631434_100000730899 [1,0,0,0,0,0|3,0,0]=4 2058 B8R0.7 COCCCCN(C)C 269982a_100102631434_100000730899 [1,0,0,0,0,0|3,0,0]=4 2059 B8R0.7 COCCCC[N+](=O)[O-] 34a_200015379883_200000210301 [1,0,0,0,0,0|3,0,0]=4 2060 B8R0.7 COCCCC[N+](=O)[O-] 7a_200015379883_200000210301 [1,0,0,0,0,0|3,0,0]=4 2061 B8R0.7 COCCCNC(=O)C 1626a_100150723488_100015343762 [1,0,0,0,0,0|2,0,0]=3 2062 B8R0.7 COCCCNC(=O)C 240690a_100150723488_100015343762 [1,0,0,0,0,0|2,0,0]=3 2063 B8R0.7 COCCCNC(=O)C 34a_100000752032_200000210301 [1,0,0,0,0,0|2,0,0]=3 2064 B8R0.7 COCCCNC(=O)C 527a_100150723488_100103153847 [1,0,0,0,0,0|2,0,0]=3 2065 B8R0.7 COCCCOC(=O)C 34a_100138415774_100000042594 [1,0,0,0,0,0|2,0,0]=3 2066 B8R0.7 COCCCOC(=S)C 34a_100138415774_200135323944 [1,0,0,0,0,0|2,1,0]=4 2067 B8R0.7 COCCCSC(=O)C 34a_100138415774_100000038929 [1,0,0,0,0,0|2,0,0]=3 2068 B8R0.7 COCCNCC(=O)N 2230a_100000209980_100000747473 [1,0,0,0,0,0|3,0,0]=4 2069 B8R0.7 COCCNCC(=O)N 2230a_100000711301_100011201679 [1,0,0,0,0,0|3,0,0]=4 2070 B8R0.7 COCCNCC(=O)O 269956a_100016091260_100000233755 [1,0,0,0,0,0|3,0,0]=4 2071 B8R0.7 COCCNNC(=O)C 22a_100000741390_100000070787 [1,0,0,0,0,0|3,0,0]=4 2072 B8R0.7 COCCOCC(=O)C 1458a_100000211095_200000210301 [1,0,0,0,0,0|2,0,0]=3 2073 B8R0.7 COCCOCC(=O)C 34a_100000211253_100011201679 [1,0,0,0,0,0|2,0,0]=3 2074 B8R0.7 COCCOCC(=O)N 34a_100000210237_100000187820 [1,0,0,0,0,0|3,0,0]=4 2075 B8R0.7 COCCOCC(=O)N 34a_100138415774_100000076697 [1,0,0,0,0,0|3,0,0]=4 2076 B8R0.7 COCCOCC(=O)[13CH3] 1458a_100000211095_200025704644 [1,0,0,0,0,0|2,0,0]=3 2077 B8R0.7 COCCOCC(=O)[O-] 34a_100000210237_100020667443 [1,0,0,0,0,0|3,0,0]=4 2078 B8R0.7 COCCSCC(=O)N 62a_100000233755_100000747473 [1,0,0,0,0,0|3,0,0]=4 2079 B8R0.7 COCCSCC(=O)N 62a_100000747473_100000233755 [1,0,0,0,0,0|3,0,0]=4 2080 B8R0.7 COCCSCC(=O)[O-] 62a_100000233755_100020667443 [1,0,0,0,0,0|3,0,0]=4 2081 B8R0.7 COCCSCC(=O)[O-] 62a_100020667443_100000233755 [1,0,0,0,0,0|3,0,0]=4 2082 B8R0.7 COCSCCC(=O)C 62a_100000053229_100000766300 [1,0,0,0,0,0|2,0,0]=3 2083 B8R0.7 COCSCCC(=O)C 62a_100000766300_100000053229 [1,0,0,0,0,0|2,0,0]=3 2084 B8R0.7 COCSCCC(=O)N 62a_100000744528_100000766300 [1,0,0,0,0,0|3,0,0]=4 2085 B8R0.7 COCSCCC(=O)N 62a_100000766300_100000744528 [1,0,0,0,0,0|3,0,0]=4 2086 B8R0.7 COCSCOC(=O)C 62a_100000076356_100000766300 [1,0,0,0,0,0|3,0,0]=4 2087 B8R0.7 COCSCOC(=O)C 62a_100000766300_100000076356 [1,0,0,0,0,0|3,0,0]=4 2088 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [1,0,0,0,0,0|1,0,0]=2 2089 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [1,0,0,0,0,0|1,0,0]=2 2090 B8R0.7 CSCCCCC(C)C 62a_100011216152_200000210301 [1,0,0,0,0,0|2,0,1]=4 2091 B8R0.7 CSCCCCC(C)C 62a_200000210301_100011216152 [1,0,0,0,0,0|2,0,1]=4 2092 B8R0.7 CSCCCCN(C)C 62a_200000210301_100000690147 [1,0,0,0,0,0|3,0,0]=4 2093 B8R0.7 CSCCCNC(=O)C 11a_100000749238_100015343762 [1,0,0,0,0,0|2,0,0]=3 2094 B8R0.7 CSCCCNC(=O)C 1626a_100000749238_100015343762 [1,0,0,0,0,0|2,0,0]=3 2095 B8R0.7 CSCCCNC(=O)C 240690a_100000749238_100015343762 [1,0,0,0,0,0|2,0,0]=3 2096 B8R0.7 CSCCCNC(=O)C 527a_100000749238_100103153847 [1,0,0,0,0,0|2,0,0]=3 2097 B8R0.7 CSCCCOC(=O)C 62a_100000042594_200000210301 [1,0,0,0,0,0|2,0,0]=3 2098 B8R0.7 CSCCCOC(=O)C 62a_200000210301_100000042594 [1,0,0,0,0,0|2,0,0]=3 2099 B8R0.7 CSCCCOC(=S)C 62a_200000210301_200135323944 [1,0,0,0,0,0|2,1,0]=4 2100 B8R0.7 CSCCCOC(=S)C 62a_200135323944_200000210301 [1,0,0,0,0,0|2,1,0]=4 2101 B8R0.7 CSCCCSC(=O)C 62a_100000038929_200000210301 [1,0,0,0,0,0|2,0,0]=3 2102 B8R0.7 CSCCCSC(=O)C 62a_200000210301_100000038929 [1,0,0,0,0,0|2,0,0]=3 2103 B8R0.7 CSCCNCC(=O)N 2230a_100000711301_100000751147 [1,0,0,0,0,0|3,0,0]=4 2104 B8R0.7 CSCCNCC(=O)N 2230a_100020590264_100000747473 [1,0,0,0,0,0|3,0,0]=4 2105 B8R0.7 CSCCNCC(=O)O 269956a_100016091260_100000212216 [1,0,0,0,0,0|3,0,0]=4 2106 B8R0.7 CSCCOCC(=O)C 34a_100000211253_100000212216 [1,0,0,0,0,0|2,0,0]=3 2107 B8R0.7 CSCCOCC(=O)N 34a_100000230434_100000187820 [1,0,0,0,0,0|3,0,0]=4 2108 B8R0.7 CSCCOCC(=O)N 62a_100000076697_200000210301 [1,0,0,0,0,0|3,0,0]=4 2109 B8R0.7 CSCCOCC(=O)N 62a_200000210301_100000076697 [1,0,0,0,0,0|3,0,0]=4 2110 B8R0.7 CSCCOCC(=O)N 7a_100000230434_100000187820 [1,0,0,0,0,0|3,0,0]=4 2111 B8R0.7 CSCCOCC(=O)[O-] 34a_100000230434_100020667443 [1,0,0,0,0,0|3,0,0]=4 2112 B8R0.7 CSCCSCC(=O)N 62a_100000212216_100000747473 [1,0,0,0,0,0|3,0,0]=4 2113 B8R0.7 CSCCSCC(=O)N 62a_100000747473_100000751147 [1,0,0,0,0,0|3,0,0]=4 2114 B8R0.7 CSCCSCC(=O)[O-] 62a_100000212216_100020667443 [1,0,0,0,0,0|3,0,0]=4 2115 B8R0.7 CSCCSCC(=O)[O-] 62a_100020667443_100000751147 [1,0,0,0,0,0|3,0,0]=4 2116 B8R0.7 CSCOCCC(=O)C 34a_100000759926_100011218213 [1,0,0,0,0,0|2,0,0]=3 2117 B8R0.7 CSCOCCC(=O)N 34a_100000757172_100011218213 [1,0,0,0,0,0|3,0,0]=4 2118 B8R0.7 CSCSCCC(=O)C 62a_100000053229_100011218213 [1,0,0,0,0,0|2,0,0]=3 2119 B8R0.7 CSCSCCC(=O)C 62a_100011218213_100000053229 [1,0,0,0,0,0|2,0,0]=3 2120 B8R0.7 CSCSCCC(=O)N 62a_100000744528_100011218213 [1,0,0,0,0,0|3,0,0]=4 2121 B8R0.7 CSCSCCC(=O)N 62a_100011218213_100000744528 [1,0,0,0,0,0|3,0,0]=4 2122 B8R0.7 CSCSCOC(=O)C 62a_100000076356_100011218213 [1,0,0,0,0,0|3,0,0]=4 2123 B8R0.7 CSCSCOC(=O)C 62a_100011218213_100000076356 [1,0,0,0,0,0|3,0,0]=4 2124 B8R0.7 NC(=O)CCCNCF 34a_100000739312_100015361967 [1,0,0,0,0,0|3,0,0]=4 2125 B8R0.7 NC(=O)CCCSCF 62a_100015361967_100102525003 [1,0,0,0,0,0|3,0,0]=4 2126 B8R0.7 NC(=O)CCCSCF 62a_100102525003_100015361967 [1,0,0,0,0,0|3,0,0]=4 2127 B8R0.7 NC(=O)CCNCCF 34a_100000724931_100000731001 [1,0,0,0,0,0|3,0,0]=4 2128 B8R0.7 NC(=O)CCNCCO 2230a_100016997473_100000744528 [1,0,0,0,0,0|3,0,0]=4 2129 B8R0.7 NC(=O)CCNCCO 34a_100016990907_100000731001 [1,0,0,0,0,0|3,0,0]=4 2130 B8R0.7 NC(=O)CCOCCBr 34a_100000211926_100000731001 [1,0,0,0,0,0|3,0,0]=4 2131 B8R0.7 NC(=O)CCOCCF 34a_100000757172_100011217306 [1,0,0,0,0,0|3,0,0]=4 2132 B8R0.7 NC(=O)CCOCCF 7a_100000757172_100011217306 [1,0,0,0,0,0|3,0,0]=4 2133 B8R0.7 NC(=O)CCOCCO 34a_100000757172_100000211926 [1,0,0,0,0,0|3,0,0]=4 2134 B8R0.7 NC(=O)CCOCCO 7a_100000757172_100000211926 [1,0,0,0,0,0|3,0,0]=4 2135 B8R0.7 NC(=O)CCSCCF 62a_100000744528_100011217306 [1,0,0,0,0,0|3,0,0]=4 2136 B8R0.7 NC(=O)CCSCCF 62a_100011217306_100000744528 [1,0,0,0,0,0|3,0,0]=4 2137 B8R0.7 NC(=O)CCSCCO 62a_100000211926_100000744528 [1,0,0,0,0,0|3,0,0]=4 2138 B8R0.7 NC(=O)CCSCCO 62a_100000744528_100000211926 [1,0,0,0,0,0|3,0,0]=4 2139 B8R0.7 NC(=O)CNCCCF 2230a_100000711301_100011934791 [1,0,0,0,0,0|3,0,0]=4 2140 B8R0.7 NC(=O)CNCCCF 2230a_100015189416_100000747473 [1,0,0,0,0,0|3,0,0]=4 2141 B8R0.7 NC(=O)CNCCCF 34a_100015189416_100000187820 [1,0,0,0,0,0|3,0,0]=4 2142 B8R0.7 NC(=O)CNCCCO 2230a_100000711301_100000230001 [1,0,0,0,0,0|3,0,0]=4 2143 B8R0.7 NC(=O)COCCCBr 34a_100011217188_100000187820 [1,0,0,0,0,0|3,0,0]=4 2144 B8R0.7 NC(=O)COCCCCl 34a_100000230001_100000187820 [1,0,0,0,0,0|3,0,0]=4 2145 B8R0.7 NC(=O)COCCCF 34a_100000759539_100000187820 [1,0,0,0,0,0|3,0,0]=4 2146 B8R0.7 NC(=O)CSCCCF 62a_100000747473_100011934791 [1,0,0,0,0,0|3,0,0]=4 2147 B8R0.7 NC(=O)CSCCCF 62a_100011934791_100000747473 [1,0,0,0,0,0|3,0,0]=4 2148 B8R0.7 NC(=O)CSCCCO 62a_100000747473_100011215043 [1,0,0,0,0,0|3,0,0]=4 2149 B8R0.7 NC(=O)CSCCCO 62a_100011215043_100000747473 [1,0,0,0,0,0|3,0,0]=4 2150 B8R0.7 NCCCOCC(=O)N 34a_100000182051_100000187820 [1,0,0,0,0,0|3,0,0]=4 2151 B8R0.7 NCCCOCC(=O)[O-] 34a_100000182051_100020667443 [1,0,0,0,0,0|3,0,0]=4 2152 B8R0.7 NCCOCCC(=O)N 34a_100000210304_100000731001 [1,0,0,0,0,0|3,0,0]=4 2153 B8R0.7 O=C(O)CNCCCF 269956a_100016091260_100011934791 [1,0,0,0,0,0|3,0,0]=4 2154 B8R0.7 O=C(O)CNCCCO 269956a_100016091260_100011215043 [1,0,0,0,0,0|3,0,0]=4 2155 B8R0.7 O=C([O-])CNCCCF 34a_100015189416_100020667443 [1,0,0,0,0,0|3,0,0]=4 2156 B8R0.7 O=C([O-])COCCCBr 34a_100011217188_100020667443 [1,0,0,0,0,0|3,0,0]=4 2157 B8R0.7 O=C([O-])COCCCCl 34a_100000230001_100020667443 [1,0,0,0,0,0|3,0,0]=4 2158 B8R0.7 O=C([O-])COCCCF 34a_100000759539_100020667443 [1,0,0,0,0,0|3,0,0]=4 2159 B8R0.7 O=C([O-])CSCCCF 62a_100011934791_100020667443 [1,0,0,0,0,0|3,0,0]=4 2160 B8R0.7 O=C([O-])CSCCCF 62a_100020667443_100011934791 [1,0,0,0,0,0|3,0,0]=4 2161 B8R0.7 O=C([O-])CSCCCO 62a_100011215043_100020667443 [1,0,0,0,0,0|3,0,0]=4 2162 B8R0.7 O=C([O-])CSCCCO 62a_100020667443_100011215043 [1,0,0,0,0,0|3,0,0]=4 2163 B8R0.7 [13CH3]C(=O)CCCCCO 1458a_100102619762_200025704644 [1,0,0,0,0,0|1,0,0]=2 2164 B8R0.7 [13CH3]C(=O)CCCN=[N+]=[N-] 1458a_100010262590_200025704644 [1,0,0,0,0,0|3,0,0]=4 2165 B8R0.7 [13CH3]C(=O)CCOCCO 1458a_100011229844_200025704644 [1,0,0,0,0,0|2,0,0]=3 2166 B8R0.7 [13CH3]NCCCCC(=O)N 34a_100000696515_200025704644 [1,0,0,0,0,0|2,0,0]=3 2167 B8R0.7 [13CH3]NCCOCC(=O)O 269956a_100000700818_200025704644 [1,0,0,0,0,0|3,0,0]=4 2168 B8R0.7 [13CH3]OCCCCC(=O)N 34a_100012022536_200025704644 [1,0,0,0,0,0|2,0,0]=3 2169 B8R0.7 [13CH3]OCCCCC(=O)N 7a_100012022536_200025704644 [1,0,0,0,0,0|2,0,0]=3 2170 B8R0.7 [13CH3]OCCCC[N+](=O)[O-] 34a_200015379883_200025704644 [1,0,0,0,0,0|3,0,0]=4 2171 B8R0.7 [13CH3]OCCCC[N+](=O)[O-] 7a_200015379883_200025704644 [1,0,0,0,0,0|3,0,0]=4 2172 B8R0.7 [13CH3]SCCOCC(=O)N 62a_100000076697_200025704644 [1,0,0,0,0,0|3,0,0]=4 2173 B8R0.7 [13CH3]SCCOCC(=O)N 62a_200025704644_100000076697 [1,0,0,0,0,0|3,0,0]=4 2174 B10R0.1 C#CCC(=O)C/C=C/CCC 1458a_200016266809_100000184674 [0,1,0,0,0,0|0,0,3]=4 2175 B10R0.1 C#CCC(=O)C=CCCCC 1458a_100016266645_100000184674 [0,1,0,0,0,0|0,0,3]=4 2176 B10R0.1 C#CCC(=O)CC/C=C\CC 1458a_100011220946_100015370543 [0,1,0,0,0,0|0,0,3]=4 2177 B10R0.1 C#CCC(=O)CCCCC#N 1458a_100011220946_100000211819 [0,1,0,0,0,0|1,0,2]=4 2178 B10R0.1 C#CCC(=O)CCCCC=C 1458a_100011215552_100000184674 [0,1,0,0,0,0|0,0,3]=4 2179 B10R0.1 C#CCC(=O)CCCCC=C 1458a_100011220946_100011215482 [0,1,0,0,0,0|0,0,3]=4 2180 B10R0.1 C#CCC(=O)CCCCCC 1458a_100011220946_100000210757 [0,1,0,0,0,0|0,0,1]=2 2181 B10R0.1 C#CCC(=O)CCCCCC 1458a_100102632555_100000184674 [0,1,0,0,0,0|0,0,1]=2 2182 B10R0.1 C#CCC(=O)CCCCCF 1458a_100011220946_100000729378 [0,1,0,0,0,0|1,0,1]=3 2183 B10R0.1 C#CCC(=O)CCCCCO 1458a_100011220946_100000746330 [0,1,0,0,0,0|1,0,1]=3 2184 B10R0.1 C#CCC(=O)CCCCCO 1458a_100102619762_100000184674 [0,1,0,0,0,0|1,0,1]=3 2185 B10R0.1 C#CCC(=O)CCCCOC 1458a_100011220946_100000755781 [0,1,0,0,0,0|1,0,1]=3 2186 B10R0.1 C#CCC(=O)CCCOCC 1458a_100011220946_100012232248 [0,1,0,0,0,0|1,0,1]=3 2187 B10R0.1 C#CCC(=O)CCOCCC 1458a_100011220946_100011215938 [0,1,0,0,0,0|1,0,1]=3 2188 B10R0.1 C#CCC(=O)CCOCCO 1458a_100011220946_100011215305 [0,1,0,0,0,0|2,0,1]=4 2189 B10R0.1 C#CCC(=O)CCOCCO 1458a_100011229844_100000184674 [0,1,0,0,0,0|2,0,1]=4 2190 B10R0.1 C#CCC(=O)COCCCC 1458a_100000757543_100000184674 [0,1,0,0,0,0|1,0,1]=3 2191 B10R0.1 C#CCC(=O)COCCCC 1458a_100011220946_100011995733 [0,1,0,0,0,0|1,0,1]=3 2192 B10R0.1 C#CCC(=O)COCCOC 1458a_100000211095_100000184674 [0,1,0,0,0,0|2,0,1]=4 2193 B10R0.1 C#CCC(=O)CSCCCC 1458a_100000191162_100000184674 [0,1,0,0,0,0|1,0,1]=3 2194 B10R0.1 C#CCC(=O)NCCCCC 1626a_100000209983_100011220946 [0,1,0,0,0,0|1,0,1]=3 2195 B10R0.1 C#CCC(=O)NCCCCC 527a_100000209983_100011220946 [0,1,0,0,0,0|1,0,1]=3 2196 B10R0.1 C#CCC(=O)NCCCCO 527a_100000750430_100011220946 [0,1,0,0,0,0|2,0,1]=4 2197 B10R0.1 C#CCC(=O)NCCCOC 1626a_100150723488_100011220946 [0,1,0,0,0,0|2,0,1]=4 2198 B10R0.1 C#CCC(=O)NCCCOC 527a_100150723488_100011220946 [0,1,0,0,0,0|2,0,1]=4 2199 B10R0.1 C#CCC(=O)NCCCSC 1626a_100000749238_100011220946 [0,1,0,0,0,0|2,0,1]=4 2200 B10R0.1 C#CCC(=O)NCCCSC 527a_100000749238_100011220946 [0,1,0,0,0,0|2,0,1]=4 2201 B10R0.1 C#CCC(=O)NCCOCC 1626a_102516460346_100011220946 [0,1,0,0,0,0|2,0,1]=4 2202 B10R0.1 C#CCC(=O)NCCOCC 527a_100011200944_100011220946 [0,1,0,0,0,0|2,0,1]=4 2203 B10R0.1 C#CCC(=O)NCCSCC 1626a_100000106463_100011220946 [0,1,0,0,0,0|2,0,1]=4 2204 B10R0.1 C#CCC(=O)NCCSCC 527a_100000106463_100011220946 [0,1,0,0,0,0|2,0,1]=4 2205 B10R0.1 C#CCCCCC(=O)C#CC 1458a_100000763181_100010269958 [0,1,0,0,0,0|0,0,3]=4 2206 B10R0.1 C#CCCCCC(=O)C=CC 1458a_100000210699_100010269958 [0,1,0,0,0,0|0,0,3]=4 2207 B10R0.1 C#CCCCCC(=O)CC#C 1458a_100000696528_100000184674 [0,1,0,0,0,0|0,0,3]=4 2208 B10R0.1 C#CCCCCC(=O)CC#C 1458a_100011220946_100010269958 [0,1,0,0,0,0|0,0,3]=4 2209 B10R0.1 C#CCCCCC(=O)CC#N 1458a_100000696528_100011214920 [0,1,0,0,0,0|0,0,3]=4 2210 B10R0.1 C#CCCCCC(=O)CC#N 1458a_100051588842_100010269958 [0,1,0,0,0,0|0,0,3]=4 2211 B10R0.1 C#CCCCCC(=O)CC=C 1458a_100000210193_100010269958 [0,1,0,0,0,0|0,0,3]=4 2212 B10R0.1 C#CCCCCC(=O)CC=C 1458a_100000696528_100000210623 [0,1,0,0,0,0|0,0,3]=4 2213 B10R0.1 C#CCCCCC(=O)CCC 1458a_100000211992_100010269958 [0,1,0,0,0,0|0,0,2]=3 2214 B10R0.1 C#CCCCCC(=O)CCC 1458a_100000696528_100000210303 [0,1,0,0,0,0|0,0,2]=3 2215 B10R0.1 C#CCCCCC(=O)CCF 1458a_100000696528_100011217306 [0,1,0,0,0,0|0,0,2]=3 2216 B10R0.1 C#CCCCCC(=O)CCO 1458a_100000696528_100000211926 [0,1,0,0,0,0|0,0,2]=3 2217 B10R0.1 C#CCCCCC(=O)CCO 1458a_100011216618_100010269958 [0,1,0,0,0,0|0,0,2]=3 2218 B10R0.1 C#CCCCCC(=O)COC 1458a_100000210968_100010269958 [0,1,0,0,0,0|0,0,2]=3 2219 B10R0.1 C#CCCCCC(=O)CSC 1458a_100000184570_100010269958 [0,1,0,0,0,0|0,0,2]=3 2220 B10R0.1 C#CCCCCC(=O)NCC 11a_100015525214_100000696528 [0,1,0,0,0,0|0,0,2]=3 2221 B10R0.1 C#CCCCCC(=O)NCC 240690a_100015525214_100000696528 [0,1,0,0,0,0|0,0,2]=3 2222 B10R0.1 C#CCCCCC(=O)NCC 527a_100015525214_100000696528 [0,1,0,0,0,0|0,0,2]=3 2223 B10R0.1 C#CCCCCC(=O)NNC 22a_100016993582_100000696528 [0,1,0,0,0,0|1,0,2]=4 2224 B10R0.1 C#CCCCNC(=O)CCC 11a_100000718082_100000211992 [0,1,0,0,0,0|1,0,2]=4 2225 B10R0.1 C#CCCCNC(=O)CCC 1626a_100000718082_100000211992 [0,1,0,0,0,0|1,0,2]=4 2226 B10R0.1 C#CCCCNC(=O)CCC 240690a_100000718082_100000211992 [0,1,0,0,0,0|1,0,2]=4 2227 B10R0.1 C#CCCCNC(=O)CCC 527a_100000718082_100000211992 [0,1,0,0,0,0|1,0,2]=4 2228 B10R0.1 C#CCCCNC(=O)CCO 240690a_100000718082_100011216618 [0,1,0,0,0,0|1,0,2]=4 2229 B10R0.1 C#CCCCNC(=O)COC 11a_100000718082_100000210968 [0,1,0,0,0,0|1,0,2]=4 2230 B10R0.1 C#CCCCNC(=O)COC 1626a_100000718082_100000210968 [0,1,0,0,0,0|1,0,2]=4 2231 B10R0.1 C#CCCCNC(=O)COC 240690a_100000718082_100000210968 [0,1,0,0,0,0|1,0,2]=4 2232 B10R0.1 C#CCCCNC(=O)COC 527a_100000718082_100000210968 [0,1,0,0,0,0|1,0,2]=4 2233 B10R0.1 C#CCCCNC(=O)CSC 11a_100000718082_100000184570 [0,1,0,0,0,0|1,0,2]=4 2234 B10R0.1 C#CCCCNC(=O)CSC 1626a_100000718082_100000184570 [0,1,0,0,0,0|1,0,2]=4 2235 B10R0.1 C#CCCCNC(=O)CSC 240690a_100000718082_100000184570 [0,1,0,0,0,0|1,0,2]=4 2236 B10R0.1 C#CCCCNC(=O)CSC 527a_100000718082_100000184570 [0,1,0,0,0,0|1,0,2]=4 2237 B10R0.1 C#CCCCNC(=O)NCC 2708a_100000718082_100015525214 [0,1,0,0,0,0|1,0,2]=4 2238 B10R0.1 C#CCCCNC(=O)NCC 2708a_100015525214_100000718082 [0,1,0,0,0,0|1,0,2]=4 2239 B10R0.1 C#CCCCNC(=O)NCC 273464a_100000718082_100015525214 [0,1,0,0,0,0|1,0,2]=4 2240 B10R0.1 C#CCCCNC(=O)NCC 273464a_100015525214_100000718082 [0,1,0,0,0,0|1,0,2]=4 2241 B10R0.1 C#CCCCNC(=O)NCC 512a_100000718082_100015525214 [0,1,0,0,0,0|1,0,2]=4 2242 B10R0.1 C#CCCCNC(=O)NCC 512a_100015525214_100000718082 [0,1,0,0,0,0|1,0,2]=4 2243 B10R0.1 C#CCCNCC(=O)NCC 2230a_100016988866_100000688953 [0,1,0,0,0,0|1,0,2]=4 2244 B10R0.1 C#CCCNCC(=O)NCC 34a_100000755551_100000183381 [0,1,0,0,0,0|1,0,2]=4 2245 B10R0.1 C#CCCNCC(=O)OCC 34a_100000755551_100000188475 [0,1,0,0,0,0|1,0,2]=4 2246 B10R0.1 C#CCCOCC(=O)NCC 34a_100011215631_100000183381 [0,1,0,0,0,0|1,0,2]=4 2247 B10R0.1 C#CCCOCC(=O)OCC 34a_100011215631_100000188475 [0,1,0,0,0,0|1,0,2]=4 2248 B10R0.1 C#CCCSCC(=O)CCC 62a_100000688953_100000747444 [0,1,0,0,0,0|1,0,2]=4 2249 B10R0.1 C#CCCSCC(=O)CCC 62a_100000747444_100000688953 [0,1,0,0,0,0|1,0,2]=4 2250 B10R0.1 C#CCCSCC(=O)NCC 62a_100000183381_100000688953 [0,1,0,0,0,0|1,0,2]=4 2251 B10R0.1 C#CCCSCC(=O)NCC 62a_100000688953_100000183381 [0,1,0,0,0,0|1,0,2]=4 2252 B10R0.1 C#CCCSCC(=O)OCC 62a_100000188475_100000688953 [0,1,0,0,0,0|1,0,2]=4 2253 B10R0.1 C#CCCSCC(=O)OCC 62a_100000688953_100000188475 [0,1,0,0,0,0|1,0,2]=4 2254 B10R0.1 C#CCN(C)CCCCCC 2230a_100000225692_100000210314 [0,1,0,0,0,0|2,0,1]=4 2255 B10R0.1 C#CCN(C)CCCCCC 2230a_106256046315_100000038162 [0,1,0,0,0,0|2,0,1]=4 2256 B10R0.1 C#CCN(C)CCCCCC 34a_100000225692_100000210314 [0,1,0,0,0,0|2,0,1]=4 2257 B10R0.1 C#CCNCCC(=O)NCC 34a_100025743525_100000184674 [0,1,0,0,0,0|1,0,2]=4 2258 B10R0.1 C#CCNCCC(=O)OCC 34a_100000212058_100000765890 [0,1,0,0,0,0|1,0,2]=4 2259 B10R0.1 C#CCOCCC(=O)CCC 1458a_100000211992_100010402529 [0,1,0,0,0,0|1,0,2]=4 2260 B10R0.1 C#CCOCCC(=O)CCC 1458a_100000693358_100000210303 [0,1,0,0,0,0|1,0,2]=4 2261 B10R0.1 C#CCOCCC(=O)CCF 1458a_100000693358_100011217306 [0,1,0,0,0,0|1,0,2]=4 2262 B10R0.1 C#CCOCCC(=O)CCO 1458a_100000693358_100000211926 [0,1,0,0,0,0|1,0,2]=4 2263 B10R0.1 C#CCOCCC(=O)CCO 1458a_100011216618_100010402529 [0,1,0,0,0,0|1,0,2]=4 2264 B10R0.1 C#CCOCCC(=O)COC 1458a_100000210968_100010402529 [0,1,0,0,0,0|1,0,2]=4 2265 B10R0.1 C#CCOCCC(=O)CSC 1458a_100000184570_100010402529 [0,1,0,0,0,0|1,0,2]=4 2266 B10R0.1 C#CCOCCC(=O)NCC 11a_100015525214_100000693358 [0,1,0,0,0,0|1,0,2]=4 2267 B10R0.1 C#CCOCCC(=O)NCC 240690a_100015525214_100000693358 [0,1,0,0,0,0|1,0,2]=4 2268 B10R0.1 C#CCOCCC(=O)NCC 527a_100015525214_100000693358 [0,1,0,0,0,0|1,0,2]=4 2269 B10R0.1 C#CCOCCC(=O)OCC 34a_100000210247_100000765890 [0,1,0,0,0,0|1,0,2]=4 2270 B10R0.1 C#CCSCCC(=O)NCC 62a_100000038162_100000737597 [0,1,0,0,0,0|1,0,2]=4 2271 B10R0.1 C#CCSCCC(=O)OCC 62a_100000038162_100000765890 [0,1,0,0,0,0|1,0,2]=4 2272 B10R0.1 C/C=C/COCC(=O)NCC 34a_100016270725_100000183381 [0,1,0,0,0,0|1,0,2]=4 2273 B10R0.1 C/C=C/COCC(=O)OCC 34a_100016270725_100000188475 [0,1,0,0,0,0|1,0,2]=4 2274 B10R0.1 C/C=C/CSCC(=O)CCC 62a_100000747444_100102629194 [0,1,0,0,0,0|1,0,2]=4 2275 B10R0.1 C/C=C/CSCC(=O)CCC 62a_100102629194_100000747444 [0,1,0,0,0,0|1,0,2]=4 2276 B10R0.1 C/C=C/CSCC(=O)NCC 62a_100000183381_100102629194 [0,1,0,0,0,0|1,0,2]=4 2277 B10R0.1 C/C=C/CSCC(=O)NCC 62a_100102629194_100000183381 [0,1,0,0,0,0|1,0,2]=4 2278 B10R0.1 C/C=C/CSCC(=O)OCC 62a_100000188475_100102629194 [0,1,0,0,0,0|1,0,2]=4 2279 B10R0.1 C/C=C/CSCC(=O)OCC 62a_100102629194_100000188475 [0,1,0,0,0,0|1,0,2]=4 2280 B10R0.1 C=CCC(=O)C/C=C/CCC 1458a_200016266809_100000210623 [0,1,0,0,0,0|0,0,3]=4 2281 B10R0.1 C=CCC(=O)C=CCCCC 1458a_100016266645_100000210623 [0,1,0,0,0,0|0,0,3]=4 2282 B10R0.1 C=CCC(=O)CC/C=C\CC 1458a_100000210193_100015370543 [0,1,0,0,0,0|0,0,3]=4 2283 B10R0.1 C=CCC(=O)CCCCC#N 1458a_100000210193_100000211819 [0,1,0,0,0,0|1,0,2]=4 2284 B10R0.1 C=CCC(=O)CCCCCC 1458a_100000210193_100000210757 [0,1,0,0,0,0|0,0,1]=2 2285 B10R0.1 C=CCC(=O)CCCCCC 1458a_100102632555_100000210623 [0,1,0,0,0,0|0,0,1]=2 2286 B10R0.1 C=CCC(=O)CCCCCF 1458a_100000210193_100000729378 [0,1,0,0,0,0|1,0,1]=3 2287 B10R0.1 C=CCC(=O)CCCCCO 1458a_100000210193_100000746330 [0,1,0,0,0,0|1,0,1]=3 2288 B10R0.1 C=CCC(=O)CCCCCO 1458a_100102619762_100000210623 [0,1,0,0,0,0|1,0,1]=3 2289 B10R0.1 C=CCC(=O)CCCCOC 1458a_100000210193_100000755781 [0,1,0,0,0,0|1,0,1]=3 2290 B10R0.1 C=CCC(=O)CCCOCC 1458a_100000210193_100012232248 [0,1,0,0,0,0|1,0,1]=3 2291 B10R0.1 C=CCC(=O)CCOCCC 1458a_100000210193_100011215938 [0,1,0,0,0,0|1,0,1]=3 2292 B10R0.1 C=CCC(=O)CCOCCO 1458a_100000210193_100011215305 [0,1,0,0,0,0|2,0,1]=4 2293 B10R0.1 C=CCC(=O)CCOCCO 1458a_100011229844_100000210623 [0,1,0,0,0,0|2,0,1]=4 2294 B10R0.1 C=CCC(=O)COCCCC 1458a_100000210193_100011995733 [0,1,0,0,0,0|1,0,1]=3 2295 B10R0.1 C=CCC(=O)COCCCC 1458a_100000757543_100000210623 [0,1,0,0,0,0|1,0,1]=3 2296 B10R0.1 C=CCC(=O)COCCOC 1458a_100000211095_100000210623 [0,1,0,0,0,0|2,0,1]=4 2297 B10R0.1 C=CCC(=O)CSCCCC 1458a_100000191162_100000210623 [0,1,0,0,0,0|1,0,1]=3 2298 B10R0.1 C=CCC(=O)NCCCCC 11a_100000209983_100000210193 [0,1,0,0,0,0|1,0,1]=3 2299 B10R0.1 C=CCC(=O)NCCCCC 1626a_100000209983_100000210193 [0,1,0,0,0,0|1,0,1]=3 2300 B10R0.1 C=CCC(=O)NCCCCC 240690a_100000209983_100000210193 [0,1,0,0,0,0|1,0,1]=3 2301 B10R0.1 C=CCC(=O)NCCCCC 527a_100000209983_100000210193 [0,1,0,0,0,0|1,0,1]=3 2302 B10R0.1 C=CCC(=O)NCCCCO 240690a_100000750430_100000210193 [0,1,0,0,0,0|2,0,1]=4 2303 B10R0.1 C=CCC(=O)NCCCCO 527a_100000750430_100000210193 [0,1,0,0,0,0|2,0,1]=4 2304 B10R0.1 C=CCC(=O)NCCCOC 1626a_100150723488_100000210193 [0,1,0,0,0,0|2,0,1]=4 2305 B10R0.1 C=CCC(=O)NCCCOC 240690a_100150723488_100000210193 [0,1,0,0,0,0|2,0,1]=4 2306 B10R0.1 C=CCC(=O)NCCCOC 527a_100150723488_100000210193 [0,1,0,0,0,0|2,0,1]=4 2307 B10R0.1 C=CCC(=O)NCCCSC 11a_100000749238_100000210193 [0,1,0,0,0,0|2,0,1]=4 2308 B10R0.1 C=CCC(=O)NCCCSC 1626a_100000749238_100000210193 [0,1,0,0,0,0|2,0,1]=4 2309 B10R0.1 C=CCC(=O)NCCCSC 240690a_100000749238_100000210193 [0,1,0,0,0,0|2,0,1]=4 2310 B10R0.1 C=CCC(=O)NCCCSC 527a_100000749238_100000210193 [0,1,0,0,0,0|2,0,1]=4 2311 B10R0.1 C=CCC(=O)NCCOCC 11a_100011200944_100000210193 [0,1,0,0,0,0|2,0,1]=4 2312 B10R0.1 C=CCC(=O)NCCOCC 1626a_102516460346_100000210193 [0,1,0,0,0,0|2,0,1]=4 2313 B10R0.1 C=CCC(=O)NCCOCC 240690a_100011200944_100000210193 [0,1,0,0,0,0|2,0,1]=4 2314 B10R0.1 C=CCC(=O)NCCOCC 527a_100011200944_100000210193 [0,1,0,0,0,0|2,0,1]=4 2315 B10R0.1 C=CCC(=O)NCCSCC 11a_100000106463_100000210193 [0,1,0,0,0,0|2,0,1]=4 2316 B10R0.1 C=CCC(=O)NCCSCC 1626a_100000106463_100000210193 [0,1,0,0,0,0|2,0,1]=4 2317 B10R0.1 C=CCC(=O)NCCSCC 240690a_100000106463_100000210193 [0,1,0,0,0,0|2,0,1]=4 2318 B10R0.1 C=CCC(=O)NCCSCC 527a_100000106463_100000210193 [0,1,0,0,0,0|2,0,1]=4 2319 B10R0.1 C=CCC(=O)NNCCCC 22a_100025702795_100000210193 [0,1,0,0,0,0|2,0,1]=4 2320 B10R0.1 C=CCCCCC(=O)C#CC 1458a_100000763181_100011215482 [0,1,0,0,0,0|0,0,3]=4 2321 B10R0.1 C=CCCCCC(=O)C=CC 1458a_100000210699_100011215482 [0,1,0,0,0,0|0,0,3]=4 2322 B10R0.1 C=CCCCCC(=O)CC#N 1458a_100011215552_100011214920 [0,1,0,0,0,0|0,0,3]=4 2323 B10R0.1 C=CCCCCC(=O)CC#N 1458a_100051588842_100011215482 [0,1,0,0,0,0|0,0,3]=4 2324 B10R0.1 C=CCCCCC(=O)CC=C 1458a_100000210193_100011215482 [0,1,0,0,0,0|0,0,3]=4 2325 B10R0.1 C=CCCCCC(=O)CC=C 1458a_100011215552_100000210623 [0,1,0,0,0,0|0,0,3]=4 2326 B10R0.1 C=CCCCCC(=O)CCC 1458a_100000211992_100011215482 [0,1,0,0,0,0|0,0,2]=3 2327 B10R0.1 C=CCCCCC(=O)CCC 1458a_100011215552_100000210303 [0,1,0,0,0,0|0,0,2]=3 2328 B10R0.1 C=CCCCCC(=O)CCF 1458a_100011215552_100011217306 [0,1,0,0,0,0|0,0,2]=3 2329 B10R0.1 C=CCCCCC(=O)CCO 1458a_100011215552_100000211926 [0,1,0,0,0,0|0,0,2]=3 2330 B10R0.1 C=CCCCCC(=O)CCO 1458a_100011216618_100011215482 [0,1,0,0,0,0|0,0,2]=3 2331 B10R0.1 C=CCCCCC(=O)COC 1458a_100000210968_100011215482 [0,1,0,0,0,0|0,0,2]=3 2332 B10R0.1 C=CCCCCC(=O)CSC 1458a_100000184570_100011215482 [0,1,0,0,0,0|0,0,2]=3 2333 B10R0.1 C=CCCCCC(=O)NCC 11a_100015525214_100011215552 [0,1,0,0,0,0|0,0,2]=3 2334 B10R0.1 C=CCCCCC(=O)NCC 240690a_100015525214_100011215552 [0,1,0,0,0,0|0,0,2]=3 2335 B10R0.1 C=CCCCCC(=O)NCC 527a_100015525214_100011215552 [0,1,0,0,0,0|0,0,2]=3 2336 B10R0.1 C=CCCCCC(=O)NNC 22a_100016993582_100011215552 [0,1,0,0,0,0|1,0,2]=4 2337 B10R0.1 C=CCCCNC(=O)CCC 11a_100000700776_100000211992 [0,1,0,0,0,0|1,0,2]=4 2338 B10R0.1 C=CCCCNC(=O)CCC 1626a_100000700776_100000211992 [0,1,0,0,0,0|1,0,2]=4 2339 B10R0.1 C=CCCCNC(=O)CCC 240690a_100000700776_100000211992 [0,1,0,0,0,0|1,0,2]=4 2340 B10R0.1 C=CCCCNC(=O)CCC 527a_100000700776_100000211992 [0,1,0,0,0,0|1,0,2]=4 2341 B10R0.1 C=CCCCNC(=O)CCO 240690a_100000700776_100011216618 [0,1,0,0,0,0|1,0,2]=4 2342 B10R0.1 C=CCCCNC(=O)COC 11a_100000700776_100000210968 [0,1,0,0,0,0|1,0,2]=4 2343 B10R0.1 C=CCCCNC(=O)COC 1626a_100000700776_100000210968 [0,1,0,0,0,0|1,0,2]=4 2344 B10R0.1 C=CCCCNC(=O)COC 240690a_100000700776_100000210968 [0,1,0,0,0,0|1,0,2]=4 2345 B10R0.1 C=CCCCNC(=O)COC 527a_100000700776_100000210968 [0,1,0,0,0,0|1,0,2]=4 2346 B10R0.1 C=CCCCNC(=O)CSC 11a_100000700776_100000184570 [0,1,0,0,0,0|1,0,2]=4 2347 B10R0.1 C=CCCCNC(=O)CSC 1626a_100000700776_100000184570 [0,1,0,0,0,0|1,0,2]=4 2348 B10R0.1 C=CCCCNC(=O)CSC 240690a_100000700776_100000184570 [0,1,0,0,0,0|1,0,2]=4 2349 B10R0.1 C=CCCCNC(=O)CSC 527a_100000700776_100000184570 [0,1,0,0,0,0|1,0,2]=4 2350 B10R0.1 C=CCCCNC(=O)NCC 2708a_100000700776_100015525214 [0,1,0,0,0,0|1,0,2]=4 2351 B10R0.1 C=CCCCNC(=O)NCC 2708a_100015525214_100000700776 [0,1,0,0,0,0|1,0,2]=4 2352 B10R0.1 C=CCCCNC(=O)NCC 273464a_100000700776_100015525214 [0,1,0,0,0,0|1,0,2]=4 2353 B10R0.1 C=CCCCNC(=O)NCC 273464a_100015525214_100000700776 [0,1,0,0,0,0|1,0,2]=4 2354 B10R0.1 C=CCCCNC(=O)NCC 512a_100000700776_100015525214 [0,1,0,0,0,0|1,0,2]=4 2355 B10R0.1 C=CCCCNC(=O)NCC 512a_100015525214_100000700776 [0,1,0,0,0,0|1,0,2]=4 2356 B10R0.1 C=CCCNCC(=O)CCC 2230a_100015191253_100000747444 [0,1,0,0,0,0|1,0,2]=4 2357 B10R0.1 C=CCCNCC(=O)NCC 2230a_100015191253_100000183381 [0,1,0,0,0,0|1,0,2]=4 2358 B10R0.1 C=CCCNCC(=O)NCC 2230a_100016988866_100000754431 [0,1,0,0,0,0|1,0,2]=4 2359 B10R0.1 C=CCCNCC(=O)OCC 2230a_100015191253_100000188475 [0,1,0,0,0,0|1,0,2]=4 2360 B10R0.1 C=CCCOCC(=O)NCC 34a_100011205117_100000183381 [0,1,0,0,0,0|1,0,2]=4 2361 B10R0.1 C=CCCOCC(=O)OCC 34a_100011205117_100000188475 [0,1,0,0,0,0|1,0,2]=4 2362 B10R0.1 C=CCCSCC(=O)CCC 62a_100000747444_100000754431 [0,1,0,0,0,0|1,0,2]=4 2363 B10R0.1 C=CCCSCC(=O)CCC 62a_100000754431_100000747444 [0,1,0,0,0,0|1,0,2]=4 2364 B10R0.1 C=CCCSCC(=O)NCC 62a_100000183381_100000754431 [0,1,0,0,0,0|1,0,2]=4 2365 B10R0.1 C=CCCSCC(=O)NCC 62a_100000754431_100000183381 [0,1,0,0,0,0|1,0,2]=4 2366 B10R0.1 C=CCCSCC(=O)OCC 62a_100000188475_100000754431 [0,1,0,0,0,0|1,0,2]=4 2367 B10R0.1 C=CCCSCC(=O)OCC 62a_100000754431_100000188475 [0,1,0,0,0,0|1,0,2]=4 2368 B10R0.1 C=CCN(C)CCCCCC 2230a_100000225617_100000210314 [0,1,0,0,0,0|2,0,1]=4 2369 B10R0.1 C=CCN(C)CCCCCC 2230a_106256046315_100000210623 [0,1,0,0,0,0|2,0,1]=4 2370 B10R0.1 C=CCN(C)CCCCCC 269982a_100000225617_100000210757 [0,1,0,0,0,0|2,0,1]=4 2371 B10R0.1 C=CCN(C)CCCCCC 269982a_106256046315_100000210623 [0,1,0,0,0,0|2,0,1]=4 2372 B10R0.1 C=CCNCCC(=O)NCC 2230a_100020586998_100000737597 [0,1,0,0,0,0|1,0,2]=4 2373 B10R0.1 C=CCNCCC(=O)NCC 34a_100025743525_100015514636 [0,1,0,0,0,0|1,0,2]=4 2374 B10R0.1 C=CCNCCC(=O)OCC 2230a_100020586998_100011206558 [0,1,0,0,0,0|1,0,2]=4 2375 B10R0.1 C=CCOCCC(=O)CCC 1458a_200011217002_100000210303 [0,1,0,0,0,0|1,0,2]=4 2376 B10R0.1 C=CCOCCC(=O)CCF 1458a_200011217002_100011217306 [0,1,0,0,0,0|1,0,2]=4 2377 B10R0.1 C=CCOCCC(=O)CCO 1458a_200011217002_100000211926 [0,1,0,0,0,0|1,0,2]=4 2378 B10R0.1 C=CCOCCC(=O)NCC 11a_100015525214_200011217002 [0,1,0,0,0,0|1,0,2]=4 2379 B10R0.1 C=CCOCCC(=O)NCC 240690a_100015525214_200011217002 [0,1,0,0,0,0|1,0,2]=4 2380 B10R0.1 C=CCOCCC(=O)NCC 527a_100015525214_200011217002 [0,1,0,0,0,0|1,0,2]=4 2381 B10R0.1 C=CCOCCC(=O)OCC 34a_200000210373_100000765890 [0,1,0,0,0,0|1,0,2]=4 2382 B10R0.1 C=CCSCCC(=O)NCC 62a_100000210623_100000737597 [0,1,0,0,0,0|1,0,2]=4 2383 B10R0.1 C=CCSCCC(=O)NCC 62a_100000737597_100000210623 [0,1,0,0,0,0|1,0,2]=4 2384 B10R0.1 C=CCSCCC(=O)OCC 62a_100000210623_100000765890 [0,1,0,0,0,0|1,0,2]=4 2385 B10R0.1 C=CCSCCC(=O)OCC 62a_100000765890_100000210623 [0,1,0,0,0,0|1,0,2]=4 2386 B10R0.1 C=COC(=O)CNCCCC 2230a_100000102301_100000036128 [0,1,0,0,0,0|1,0,2]=4 2387 B10R0.1 C=COC(=O)COCCCC 34a_100000210227_100000036128 [0,1,0,0,0,0|1,0,2]=4 2388 B10R0.1 C=COC(=O)CSCCCC 62a_100000036128_100000210210 [0,1,0,0,0,0|1,0,2]=4 2389 B10R0.1 C=COC(=O)CSCCCC 62a_100000210211_100000036128 [0,1,0,0,0,0|1,0,2]=4 2390 B10R0.1 CC#CC(=O)CC/C=C\CC 1458a_100000763181_100015370543 [0,1,0,0,0,0|0,0,3]=4 2391 B10R0.1 CC#CC(=O)CCCCC#N 1458a_100000763181_100000211819 [0,1,0,0,0,0|1,0,2]=4 2392 B10R0.1 CC#CC(=O)CCCCCC 1458a_100000763181_100000210757 [0,1,0,0,0,0|0,0,1]=2 2393 B10R0.1 CC#CC(=O)CCCCCF 1458a_100000763181_100000729378 [0,1,0,0,0,0|1,0,1]=3 2394 B10R0.1 CC#CC(=O)CCCCCO 1458a_100000763181_100000746330 [0,1,0,0,0,0|1,0,1]=3 2395 B10R0.1 CC#CC(=O)CCCCOC 1458a_100000763181_100000755781 [0,1,0,0,0,0|1,0,1]=3 2396 B10R0.1 CC#CC(=O)CCCOCC 1458a_100000763181_100012232248 [0,1,0,0,0,0|1,0,1]=3 2397 B10R0.1 CC#CC(=O)CCOCCC 1458a_100000763181_100011215938 [0,1,0,0,0,0|1,0,1]=3 2398 B10R0.1 CC#CC(=O)CCOCCO 1458a_100000763181_100011215305 [0,1,0,0,0,0|2,0,1]=4 2399 B10R0.1 CC#CC(=O)COCCCC 1458a_100000763181_100011995733 [0,1,0,0,0,0|1,0,1]=3 2400 B10R0.1 CC#CC(=O)NNCCCC 22a_100025702795_100000763181 [0,1,0,0,0,0|2,0,1]=4 2401 B10R0.1 CC#CCNCC(=O)CCC 2230a_100000685387_100000747444 [0,1,0,0,0,0|1,0,2]=4 2402 B10R0.1 CC#CCNCC(=O)NCC 2230a_100000685387_100000183381 [0,1,0,0,0,0|1,0,2]=4 2403 B10R0.1 CC#CCNCC(=O)NCC 2230a_100016988866_100000748600 [0,1,0,0,0,0|1,0,2]=4 2404 B10R0.1 CC#CCNCC(=O)NCC 34a_100000685387_100000183381 [0,1,0,0,0,0|1,0,2]=4 2405 B10R0.1 CC#CCNCC(=O)OCC 2230a_100000685387_100000188475 [0,1,0,0,0,0|1,0,2]=4 2406 B10R0.1 CC#CCNCC(=O)OCC 34a_100000685387_100000188475 [0,1,0,0,0,0|1,0,2]=4 2407 B10R0.1 CC#CCOCC(=O)NCC 34a_100000761923_100000183381 [0,1,0,0,0,0|1,0,2]=4 2408 B10R0.1 CC#CCOCC(=O)OCC 34a_100000761923_100000188475 [0,1,0,0,0,0|1,0,2]=4 2409 B10R0.1 CC#CCSCC(=O)CCC 62a_100000747444_100000748600 [0,1,0,0,0,0|1,0,2]=4 2410 B10R0.1 CC#CCSCC(=O)CCC 62a_100000748600_100000747444 [0,1,0,0,0,0|1,0,2]=4 2411 B10R0.1 CC#CCSCC(=O)NCC 62a_100000183381_100000748600 [0,1,0,0,0,0|1,0,2]=4 2412 B10R0.1 CC#CCSCC(=O)NCC 62a_100000748600_100000183381 [0,1,0,0,0,0|1,0,2]=4 2413 B10R0.1 CC#CCSCC(=O)OCC 62a_100000188475_100000748600 [0,1,0,0,0,0|1,0,2]=4 2414 B10R0.1 CC#CCSCC(=O)OCC 62a_100000748600_100000188475 [0,1,0,0,0,0|1,0,2]=4 2415 B10R0.1 CC/C=C\CCC(=O)CC#N 1458a_100051588842_100015370543 [0,1,0,0,0,0|0,0,3]=4 2416 B10R0.1 CC/C=C\CCC(=O)CCC 1458a_100000211992_100015370543 [0,1,0,0,0,0|0,0,2]=3 2417 B10R0.1 CC/C=C\CCC(=O)CCO 1458a_100011216618_100015370543 [0,1,0,0,0,0|0,0,2]=3 2418 B10R0.1 CC/C=C\CCC(=O)COC 1458a_100000210968_100015370543 [0,1,0,0,0,0|0,0,2]=3 2419 B10R0.1 CC/C=C\CCC(=O)CSC 1458a_100000184570_100015370543 [0,1,0,0,0,0|0,0,2]=3 2420 B10R0.1 CC=CC(=O)CC/C=C\CC 1458a_100000210699_100015370543 [0,1,0,0,0,0|0,0,3]=4 2421 B10R0.1 CC=CC(=O)CCCCC#N 1458a_100000210699_100000211819 [0,1,0,0,0,0|1,0,2]=4 2422 B10R0.1 CC=CC(=O)CCCCCC 1458a_100000210699_100000210757 [0,1,0,0,0,0|0,0,1]=2 2423 B10R0.1 CC=CC(=O)CCCCCF 1458a_100000210699_100000729378 [0,1,0,0,0,0|1,0,1]=3 2424 B10R0.1 CC=CC(=O)CCCCCO 1458a_100000210699_100000746330 [0,1,0,0,0,0|1,0,1]=3 2425 B10R0.1 CC=CC(=O)CCCCOC 1458a_100000210699_100000755781 [0,1,0,0,0,0|1,0,1]=3 2426 B10R0.1 CC=CC(=O)CCCOCC 1458a_100000210699_100012232248 [0,1,0,0,0,0|1,0,1]=3 2427 B10R0.1 CC=CC(=O)CCOCCC 1458a_100000210699_100011215938 [0,1,0,0,0,0|1,0,1]=3 2428 B10R0.1 CC=CC(=O)CCOCCO 1458a_100000210699_100011215305 [0,1,0,0,0,0|2,0,1]=4 2429 B10R0.1 CC=CC(=O)COCCCC 1458a_100000210699_100011995733 [0,1,0,0,0,0|1,0,1]=3 2430 B10R0.1 CC=CC(=O)NCCCCC 11a_100000209983_100000210699 [0,1,0,0,0,0|1,0,1]=3 2431 B10R0.1 CC=CC(=O)NCCCCC 1626a_100000209983_100000210699 [0,1,0,0,0,0|1,0,1]=3 2432 B10R0.1 CC=CC(=O)NCCCCC 240690a_100000209983_100000210699 [0,1,0,0,0,0|1,0,1]=3 2433 B10R0.1 CC=CC(=O)NCCCCO 240690a_100000750430_100000210699 [0,1,0,0,0,0|2,0,1]=4 2434 B10R0.1 CC=CC(=O)NCCCOC 1626a_100150723488_100000210699 [0,1,0,0,0,0|2,0,1]=4 2435 B10R0.1 CC=CC(=O)NCCCOC 240690a_100150723488_100000210699 [0,1,0,0,0,0|2,0,1]=4 2436 B10R0.1 CC=CC(=O)NCCCSC 11a_100000749238_100000210699 [0,1,0,0,0,0|2,0,1]=4 2437 B10R0.1 CC=CC(=O)NCCCSC 1626a_100000749238_100000210699 [0,1,0,0,0,0|2,0,1]=4 2438 B10R0.1 CC=CC(=O)NCCCSC 240690a_100000749238_100000210699 [0,1,0,0,0,0|2,0,1]=4 2439 B10R0.1 CC=CC(=O)NCCOCC 11a_100011200944_100000210699 [0,1,0,0,0,0|2,0,1]=4 2440 B10R0.1 CC=CC(=O)NCCOCC 1626a_102516460346_100000210699 [0,1,0,0,0,0|2,0,1]=4 2441 B10R0.1 CC=CC(=O)NCCOCC 240690a_100011200944_100000210699 [0,1,0,0,0,0|2,0,1]=4 2442 B10R0.1 CC=CC(=O)NCCSCC 11a_100000106463_100000210699 [0,1,0,0,0,0|2,0,1]=4 2443 B10R0.1 CC=CC(=O)NCCSCC 1626a_100000106463_100000210699 [0,1,0,0,0,0|2,0,1]=4 2444 B10R0.1 CC=CC(=O)NCCSCC 240690a_100000106463_100000210699 [0,1,0,0,0,0|2,0,1]=4 2445 B10R0.1 CC=CC(=O)NNCCCC 22a_100025702795_100000210699 [0,1,0,0,0,0|2,0,1]=4 2446 B10R0.1 CC=CCNCC(=O)NCC 2230a_100016988866_100000070051 [0,1,0,0,0,0|1,0,2]=4 2447 B10R0.1 CC=CCSCC(=O)CCC 62a_100000070051_100000747444 [0,1,0,0,0,0|1,0,2]=4 2448 B10R0.1 CC=CCSCC(=O)CCC 62a_100000747444_100000070051 [0,1,0,0,0,0|1,0,2]=4 2449 B10R0.1 CC=CCSCC(=O)NCC 62a_100000070051_100000183381 [0,1,0,0,0,0|1,0,2]=4 2450 B10R0.1 CC=CCSCC(=O)NCC 62a_100000183381_100000070051 [0,1,0,0,0,0|1,0,2]=4 2451 B10R0.1 CC=CCSCC(=O)OCC 62a_100000070051_100000188475 [0,1,0,0,0,0|1,0,2]=4 2452 B10R0.1 CC=CCSCC(=O)OCC 62a_100000188475_100000070051 [0,1,0,0,0,0|1,0,2]=4 2453 B10R0.1 CCC/C=C/CC(=O)CC#N 1458a_200016266809_100011214920 [0,1,0,0,0,0|0,0,3]=4 2454 B10R0.1 CCC/C=C/CC(=O)CCC 1458a_200016266809_100000210303 [0,1,0,0,0,0|0,0,2]=3 2455 B10R0.1 CCC/C=C/CC(=O)CCF 1458a_200016266809_100011217306 [0,1,0,0,0,0|0,0,2]=3 2456 B10R0.1 CCC/C=C/CC(=O)CCO 1458a_200016266809_100000211926 [0,1,0,0,0,0|0,0,2]=3 2457 B10R0.1 CCC/C=C/CC(=O)NCC 11a_100015525214_200016266809 [0,1,0,0,0,0|0,0,2]=3 2458 B10R0.1 CCC/C=C/CC(=O)NCC 240690a_100015525214_200016266809 [0,1,0,0,0,0|0,0,2]=3 2459 B10R0.1 CCC/C=C/CC(=O)NCC 527a_100015525214_200016266809 [0,1,0,0,0,0|0,0,2]=3 2460 B10R0.1 CCC/C=C/CC(=O)NNC 22a_100016993582_200016266809 [0,1,0,0,0,0|1,0,2]=4 2461 B10R0.1 CCCC(=O)CCCCC#N 1458a_100000211992_100000211819 [0,1,0,0,0,0|1,0,1]=3 2462 B10R0.1 CCCC(=O)CCCCCF 1458a_100000211992_100000729378 [0,1,0,0,0,0|1,0,0]=2 2463 B10R0.1 CCCC(=O)CCCCCO 1458a_100000211992_100000746330 [0,1,0,0,0,0|1,0,0]=2 2464 B10R0.1 CCCC(=O)CCCCCO 1458a_100102619762_100000210303 [0,1,0,0,0,0|1,0,0]=2 2465 B10R0.1 CCCC(=O)CCCCOC 1458a_100000211992_100000755781 [0,1,0,0,0,0|1,0,0]=2 2466 B10R0.1 CCCC(=O)CCCN=[N+]=[N-] 1458a_100010262590_100000210303 [0,1,0,0,0,0|3,0,0]=4 2467 B10R0.1 CCCC(=O)CCCOCC 1458a_100000211992_100012232248 [0,1,0,0,0,0|1,0,0]=2 2468 B10R0.1 CCCC(=O)CCOCC#N 1458a_100000211992_200000047693 [0,1,0,0,0,0|2,0,1]=4 2469 B10R0.1 CCCC(=O)CCOCCO 1458a_100000211992_100011215305 [0,1,0,0,0,0|2,0,0]=3 2470 B10R0.1 CCCC(=O)CCOCCO 1458a_100011229844_100000210303 [0,1,0,0,0,0|2,0,0]=3 2471 B10R0.1 CCCC(=O)CNCCCF 2230a_100015189416_100000747444 [0,1,0,0,0,0|2,0,0]=3 2472 B10R0.1 CCCC(=O)CNCCOC 2230a_100000209980_100000747444 [0,1,0,0,0,0|2,0,0]=3 2473 B10R0.1 CCCC(=O)CNCCSC 2230a_100020590264_100000747444 [0,1,0,0,0,0|2,0,0]=3 2474 B10R0.1 CCCC(=O)COCCOC 1458a_100000211095_100000210303 [0,1,0,0,0,0|2,0,0]=3 2475 B10R0.1 CCCC(=O)COCCSC 7a_100000230434_100000747444 [0,1,0,0,0,0|2,0,0]=3 2476 B10R0.1 CCCC(=O)CSCCC#N 62a_100000747444_100011215226 [0,1,0,0,0,0|2,0,1]=4 2477 B10R0.1 CCCC(=O)CSCCC#N 62a_100011215226_100000747444 [0,1,0,0,0,0|2,0,1]=4 2478 B10R0.1 CCCC(=O)CSCCCF 62a_100000747444_100011934791 [0,1,0,0,0,0|2,0,0]=3 2479 B10R0.1 CCCC(=O)CSCCCF 62a_100011934791_100000747444 [0,1,0,0,0,0|2,0,0]=3 2480 B10R0.1 CCCC(=O)CSCCCO 62a_100000747444_100011215043 [0,1,0,0,0,0|2,0,0]=3 2481 B10R0.1 CCCC(=O)CSCCCO 62a_100011215043_100000747444 [0,1,0,0,0,0|2,0,0]=3 2482 B10R0.1 CCCC(=O)CSCCOC 62a_100000233755_100000747444 [0,1,0,0,0,0|2,0,0]=3 2483 B10R0.1 CCCC(=O)CSCCOC 62a_100000747444_100000233755 [0,1,0,0,0,0|2,0,0]=3 2484 B10R0.1 CCCC(=O)CSCCSC 62a_100000212216_100000747444 [0,1,0,0,0,0|2,0,0]=3 2485 B10R0.1 CCCC(=O)CSCCSC 62a_100000747444_100000751147 [0,1,0,0,0,0|2,0,0]=3 2486 B10R0.1 CCCC(=O)CSCOCC 62a_100000739092_100000747444 [0,1,0,0,0,0|2,0,0]=3 2487 B10R0.1 CCCC(=O)CSCOCC 62a_100000747444_100000739092 [0,1,0,0,0,0|2,0,0]=3 2488 B10R0.1 CCCC(=O)NCCCCO 240690a_100000750430_100000211992 [0,1,0,0,0,0|2,0,0]=3 2489 B10R0.1 CCCC(=O)NCCCCO 527a_100000750430_100000211992 [0,1,0,0,0,0|2,0,0]=3 2490 B10R0.1 CCCC(=O)NCCCOC 1626a_100150723488_100000211992 [0,1,0,0,0,0|2,0,0]=3 2491 B10R0.1 CCCC(=O)NCCCOC 240690a_100150723488_100000211992 [0,1,0,0,0,0|2,0,0]=3 2492 B10R0.1 CCCC(=O)NCCCOC 527a_100150723488_100000211992 [0,1,0,0,0,0|2,0,0]=3 2493 B10R0.1 CCCC(=O)NCCCSC 11a_100000749238_100000211992 [0,1,0,0,0,0|2,0,0]=3 2494 B10R0.1 CCCC(=O)NCCCSC 1626a_100000749238_100000211992 [0,1,0,0,0,0|2,0,0]=3 2495 B10R0.1 CCCC(=O)NCCCSC 240690a_100000749238_100000211992 [0,1,0,0,0,0|2,0,0]=3 2496 B10R0.1 CCCC(=O)NCCCSC 527a_100000749238_100000211992 [0,1,0,0,0,0|2,0,0]=3 2497 B10R0.1 CCCC(=O)NCCOCC 11a_100011200944_100000211992 [0,1,0,0,0,0|2,0,0]=3 2498 B10R0.1 CCCC(=O)NCCOCC 1626a_102516460346_100000211992 [0,1,0,0,0,0|2,0,0]=3 2499 B10R0.1 CCCC(=O)NCCOCC 240690a_100011200944_100000211992 [0,1,0,0,0,0|2,0,0]=3 2500 B10R0.1 CCCC(=O)NCCOCC 527a_100011200944_100000211992 [0,1,0,0,0,0|2,0,0]=3 2501 B10R0.1 CCCC(=O)NCCSCC 11a_100000106463_100000211992 [0,1,0,0,0,0|2,0,0]=3 2502 B10R0.1 CCCC(=O)NCCSCC 1626a_100000106463_100000211992 [0,1,0,0,0,0|2,0,0]=3 2503 B10R0.1 CCCC(=O)NCCSCC 240690a_100000106463_100000211992 [0,1,0,0,0,0|2,0,0]=3 2504 B10R0.1 CCCC(=O)NCCSCC 527a_100000106463_100000211992 [0,1,0,0,0,0|2,0,0]=3 2505 B10R0.1 CCCC(=O)NNCCOC 22a_100000741390_100000211992 [0,1,0,0,0,0|3,0,0]=4 2506 B10R0.1 CCCC(=O)OCNCCF 34a_100000724931_100000034017 [0,1,0,0,0,0|3,0,0]=4 2507 B10R0.1 CCCC(=O)OCNCCO 2230a_100016997473_100000034017 [0,1,0,0,0,0|3,0,0]=4 2508 B10R0.1 CCCC(=O)OCNCCO 34a_100016990907_100000034017 [0,1,0,0,0,0|3,0,0]=4 2509 B10R0.1 CCCC(=O)OCOCCBr 34a_100000211926_100000034017 [0,1,0,0,0,0|3,0,0]=4 2510 B10R0.1 CCCC(=O)OCOCCN 34a_100000210304_100000034017 [0,1,0,0,0,0|3,0,0]=4 2511 B10R0.1 CCCC(=O)OCSCCF 62a_100011217306_100000034017 [0,1,0,0,0,0|3,0,0]=4 2512 B10R0.1 CCCC(=O)OCSCCO 62a_100000211926_100000034017 [0,1,0,0,0,0|3,0,0]=4 2513 B10R0.1 CCCC(=O)OCSCOC 62a_100000766300_100000034017 [0,1,0,0,0,0|3,0,0]=4 2514 B10R0.1 CCCC(=O)OCSCSC 62a_100011218213_100000034017 [0,1,0,0,0,0|3,0,0]=4 2515 B10R0.1 CCCC(C)CCCOCC 34a_100011713154_100000210202 [0,1,0,0,0,0|2,0,1]=4 2516 B10R0.1 CCCC(C)CCCOCC 7a_100011713154_100000210202 [0,1,0,0,0,0|2,0,1]=4 2517 B10R0.1 CCCC=NNC(=O)CCC 4a_100000189770_100000185831 [0,1,0,0,0,0|2,0,1]=4 2518 B10R0.1 CCCC=NNC(=O)COC 4a_100000216845_100000185831 [0,1,0,0,0,0|2,0,1]=4 2519 B10R0.1 CCCCC=CC(=O)CC#N 1458a_100016266645_100011214920 [0,1,0,0,0,0|0,0,3]=4 2520 B10R0.1 CCCCC=CC(=O)CCC 1458a_100016266645_100000210303 [0,1,0,0,0,0|0,0,2]=3 2521 B10R0.1 CCCCC=CC(=O)CCF 1458a_100016266645_100011217306 [0,1,0,0,0,0|0,0,2]=3 2522 B10R0.1 CCCCC=CC(=O)CCO 1458a_100016266645_100000211926 [0,1,0,0,0,0|0,0,2]=3 2523 B10R0.1 CCCCC=CC(=O)NCC 11a_100015525214_100016266645 [0,1,0,0,0,0|0,0,2]=3 2524 B10R0.1 CCCCC=CC(=O)NCC 240690a_100015525214_100016266645 [0,1,0,0,0,0|0,0,2]=3 2525 B10R0.1 CCCCC=CC(=O)NNC 22a_100016993582_100016266645 [0,1,0,0,0,0|1,0,2]=4 2526 B10R0.1 CCCCCCC(=O)C=CBr 1458a_100016273825_100000210757 [0,1,0,0,0,0|0,0,2]=3 2527 B10R0.1 CCCCCCC(=O)C=CCl 1458a_200016279998_100000210757 [0,1,0,0,0,0|0,0,2]=3 2528 B10R0.1 CCCCCCC(=O)C=CI 1458a_100016256311_100000210757 [0,1,0,0,0,0|0,0,2]=3 2529 B10R0.1 CCCCCCC(=O)CC#N 1458a_100051588842_100000210757 [0,1,0,0,0,0|0,0,1]=2 2530 B10R0.1 CCCCCCC(=O)CC#N 1458a_100102632555_100011214920 [0,1,0,0,0,0|0,0,1]=2 2531 B10R0.1 CCCCCCC(=O)CCC 1458a_100000211992_100000210757 [0,1,0,0,0,0|0,0,0]=1 2532 B10R0.1 CCCCCCC(=O)CCC 1458a_100102632555_100000210303 [0,1,0,0,0,0|0,0,0]=1 2533 B10R0.1 CCCCCCC(=O)CCF 1458a_100102632555_100011217306 [0,1,0,0,0,0|0,0,0]=1 2534 B10R0.1 CCCCCCC(=O)CCO 1458a_100011216618_100000210757 [0,1,0,0,0,0|0,0,0]=1 2535 B10R0.1 CCCCCCC(=O)CCO 1458a_100102632555_100000211926 [0,1,0,0,0,0|0,0,0]=1 2536 B10R0.1 CCCCCCC(=O)COC 1458a_100000210968_100000210757 [0,1,0,0,0,0|0,0,0]=1 2537 B10R0.1 CCCCCCC(=O)CSC 1458a_100000184570_100000210757 [0,1,0,0,0,0|0,0,0]=1 2538 B10R0.1 CCCCCCC(=O)NCC 11a_100015525214_100102632555 [0,1,0,0,0,0|0,0,0]=1 2539 B10R0.1 CCCCCCC(=O)NCC 240690a_100015525214_100102632555 [0,1,0,0,0,0|0,0,0]=1 2540 B10R0.1 CCCCCCC(=O)NCC 527a_100015525214_100102632555 [0,1,0,0,0,0|0,0,0]=1 2541 B10R0.1 CCCCCCC(=O)NNC 22a_100016993582_100102632555 [0,1,0,0,0,0|1,0,0]=2 2542 B10R0.1 CCCCCCC(C)NCC 2230a_100000210919_100000210202 [0,1,0,0,0,0|1,0,1]=3 2543 B10R0.1 CCCCCCC(C)NCC 2230a_100015525214_100011215978 [0,1,0,0,0,0|1,0,1]=3 2544 B10R0.1 CCCCCCC(C)NCC 270004a_100015525214_100000210826 [0,1,0,0,0,0|1,0,1]=3 2545 B10R0.1 CCCCCCC(C)NCC 34a_100000210919_100000210202 [0,1,0,0,0,0|1,0,1]=3 2546 B10R0.1 CCCCCCC(C)NCF 34a_100000210919_100015361967 [0,1,0,0,0,0|2,0,1]=4 2547 B10R0.1 CCCCCCC(C)OCC 34a_100000210265_100000210202 [0,1,0,0,0,0|1,0,1]=3 2548 B10R0.1 CCCCCCC(C)OCC 34a_100121572206_100011215978 [0,1,0,0,0,0|1,0,1]=3 2549 B10R0.1 CCCCCCC(C)OCC 7a_100000210265_100000210202 [0,1,0,0,0,0|1,0,1]=3 2550 B10R0.1 CCCCCCC(C)OCF 34a_100000210265_100015361967 [0,1,0,0,0,0|2,0,1]=4 2551 B10R0.1 CCCCCCC(C)OCF 7a_100000210265_100015361967 [0,1,0,0,0,0|2,0,1]=4 2552 B10R0.1 CCCCCCC(C)SCC 62a_100000210202_100011215978 [0,1,0,0,0,0|1,0,1]=3 2553 B10R0.1 CCCCCCC(C)SCC 62a_100011215978_100000210202 [0,1,0,0,0,0|1,0,1]=3 2554 B10R0.1 CCCCCCC(C)SCF 62a_100011215978_100015361967 [0,1,0,0,0,0|2,0,1]=4 2555 B10R0.1 CCCCCCC(C)SCF 62a_100015361967_100011215978 [0,1,0,0,0,0|2,0,1]=4 2556 B10R0.1 CCCCCCN(C)CC#N 2230a_100000748184_100000210314 [0,1,0,0,0,0|2,0,1]=4 2557 B10R0.1 CCCCCCN(C)CC#N 2230a_106256046315_100011215382 [0,1,0,0,0,0|2,0,1]=4 2558 B10R0.1 CCCCCCN(C)CC#N 269982a_106256046315_100011214920 [0,1,0,0,0,0|2,0,1]=4 2559 B10R0.1 CCCCCCN(C)CC=O 2230a_106256046315_200015260668 [0,1,0,0,0,0|2,0,1]=4 2560 B10R0.1 CCCCCCN(C)CC=O 269982a_106256046315_200015260668 [0,1,0,0,0,0|2,0,1]=4 2561 B10R0.1 CCCCCCN(C)CCC 2230a_100000747261_100000210314 [0,1,0,0,0,0|2,0,0]=3 2562 B10R0.1 CCCCCCN(C)CCC 2230a_106256046315_100000210303 [0,1,0,0,0,0|2,0,0]=3 2563 B10R0.1 CCCCCCN(C)CCC 269982a_100000747261_100000210757 [0,1,0,0,0,0|2,0,0]=3 2564 B10R0.1 CCCCCCN(C)CCC 269982a_106256046315_100000210303 [0,1,0,0,0,0|2,0,0]=3 2565 B10R0.1 CCCCCCN(C)CCF 2230a_106256046315_100011217306 [0,1,0,0,0,0|2,0,0]=3 2566 B10R0.1 CCCCCCN(C)CCF 269982a_106256046315_100011217306 [0,1,0,0,0,0|2,0,0]=3 2567 B10R0.1 CCCCCCN(C)CCO 2230a_100000210263_100000210314 [0,1,0,0,0,0|2,0,0]=3 2568 B10R0.1 CCCCCCN(C)CCO 2230a_106256046315_100000211926 [0,1,0,0,0,0|2,0,0]=3 2569 B10R0.1 CCCCCCN(C)CCO 269982a_100000210263_100000210757 [0,1,0,0,0,0|2,0,0]=3 2570 B10R0.1 CCCCCCN(C)CCO 269982a_106256046315_100000211926 [0,1,0,0,0,0|2,0,0]=3 2571 B10R0.1 CCCCCCN(C)COC 2230a_106256046315_100000766300 [0,1,0,0,0,0|2,0,0]=3 2572 B10R0.1 CCCCCCN(C)COC 269982a_106256046315_100000766300 [0,1,0,0,0,0|2,0,0]=3 2573 B10R0.1 CCCCCCN(C)CSC 2230a_106256046315_100011218213 [0,1,0,0,0,0|2,0,0]=3 2574 B10R0.1 CCCCCCN(C)CSC 269982a_106256046315_100011218213 [0,1,0,0,0,0|2,0,0]=3 2575 B10R0.1 CCCCCNC(=O)C=CBr 1626a_100000209983_100016273825 [0,1,0,0,0,0|1,0,2]=4 2576 B10R0.1 CCCCCNC(=O)C=CBr 240690a_100000209983_100016273825 [0,1,0,0,0,0|1,0,2]=4 2577 B10R0.1 CCCCCNC(=O)C=CCl 11a_100000209983_200016279998 [0,1,0,0,0,0|1,0,2]=4 2578 B10R0.1 CCCCCNC(=O)C=CCl 1626a_100000209983_200016279998 [0,1,0,0,0,0|1,0,2]=4 2579 B10R0.1 CCCCCNC(=O)C=CCl 240690a_100000209983_200016279998 [0,1,0,0,0,0|1,0,2]=4 2580 B10R0.1 CCCCCNC(=O)C=CI 1626a_100000209983_100016256311 [0,1,0,0,0,0|1,0,2]=4 2581 B10R0.1 CCCCCNC(=O)CC#N 1626a_100000209983_100051588842 [0,1,0,0,0,0|1,0,1]=3 2582 B10R0.1 CCCCCNC(=O)CC#N 240690a_100000209983_100051588842 [0,1,0,0,0,0|1,0,1]=3 2583 B10R0.1 CCCCCNC(=O)CCC 11a_100000209983_100000211992 [0,1,0,0,0,0|1,0,0]=2 2584 B10R0.1 CCCCCNC(=O)CCC 1626a_100000209983_100000211992 [0,1,0,0,0,0|1,0,0]=2 2585 B10R0.1 CCCCCNC(=O)CCC 240690a_100000209983_100000211992 [0,1,0,0,0,0|1,0,0]=2 2586 B10R0.1 CCCCCNC(=O)CCC 527a_100000209983_100000211992 [0,1,0,0,0,0|1,0,0]=2 2587 B10R0.1 CCCCCNC(=O)CCO 240690a_100000209983_100011216618 [0,1,0,0,0,0|1,0,0]=2 2588 B10R0.1 CCCCCNC(=O)CNC 2230a_106832991635_100000230301 [0,1,0,0,0,0|1,0,0]=2 2589 B10R0.1 CCCCCNC(=O)CNC 34a_100102657272_100000230301 [0,1,0,0,0,0|1,0,0]=2 2590 B10R0.1 CCCCCNC(=O)CNC 7a_106832991635_100000230301 [0,1,0,0,0,0|1,0,0]=2 2591 B10R0.1 CCCCCNC(=O)COC 11a_100000209983_100000210968 [0,1,0,0,0,0|1,0,0]=2 2592 B10R0.1 CCCCCNC(=O)COC 1626a_100000209983_100000210968 [0,1,0,0,0,0|1,0,0]=2 2593 B10R0.1 CCCCCNC(=O)COC 240690a_100000209983_100000210968 [0,1,0,0,0,0|1,0,0]=2 2594 B10R0.1 CCCCCNC(=O)COC 34a_100138415774_100000230301 [0,1,0,0,0,0|1,0,0]=2 2595 B10R0.1 CCCCCNC(=O)COC 527a_100000209983_100000210968 [0,1,0,0,0,0|1,0,0]=2 2596 B10R0.1 CCCCCNC(=O)CSC 11a_100000209983_100000184570 [0,1,0,0,0,0|1,0,0]=2 2597 B10R0.1 CCCCCNC(=O)CSC 1626a_100000209983_100000184570 [0,1,0,0,0,0|1,0,0]=2 2598 B10R0.1 CCCCCNC(=O)CSC 240690a_100000209983_100000184570 [0,1,0,0,0,0|1,0,0]=2 2599 B10R0.1 CCCCCNC(=O)CSC 527a_100000209983_100000184570 [0,1,0,0,0,0|1,0,0]=2 2600 B10R0.1 CCCCCNC(=O)CSC 62a_100000230301_200000210301 [0,1,0,0,0,0|1,0,0]=2 2601 B10R0.1 CCCCCNC(=O)CSC 62a_200000210301_100000230301 [0,1,0,0,0,0|1,0,0]=2 2602 B10R0.1 CCCCCNC(=O)CS[13CH3] 62a_100000230301_200025704644 [0,1,0,0,0,0|1,0,0]=2 2603 B10R0.1 CCCCCNC(=O)CS[13CH3] 62a_200025704644_100000230301 [0,1,0,0,0,0|1,0,0]=2 2604 B10R0.1 CCCCCNC(=O)NCC 2708a_100000209983_100015525214 [0,1,0,0,0,0|1,0,0]=2 2605 B10R0.1 CCCCCNC(=O)NCC 2708a_100015525214_100000209983 [0,1,0,0,0,0|1,0,0]=2 2606 B10R0.1 CCCCCNC(=O)NCC 273464a_100000209983_100015525214 [0,1,0,0,0,0|1,0,0]=2 2607 B10R0.1 CCCCCNC(=O)NCC 273464a_100015525214_100000209983 [0,1,0,0,0,0|1,0,0]=2 2608 B10R0.1 CCCCCNC(=O)NCC 512a_100000209983_100015525214 [0,1,0,0,0,0|1,0,0]=2 2609 B10R0.1 CCCCCNC(=O)NCC 512a_100015525214_100000209983 [0,1,0,0,0,0|1,0,0]=2 2610 B10R0.1 CCCCCNC(=O)NNC 273464a_100000209983_100016993582 [0,1,0,0,0,0|2,0,0]=3 2611 B10R0.1 CCCCCNC(=O)NNC 512a_100000209983_100016993582 [0,1,0,0,0,0|2,0,0]=3 2612 B10R0.1 CCCCCNC(=O)NNC 512a_100016993582_100000209983 [0,1,0,0,0,0|2,0,0]=3 2613 B10R0.1 CCCCCNC(C)CCC 2230a_100000209983_100000766640 [0,1,0,0,0,0|2,0,1]=4 2614 B10R0.1 CCCCCNC(C)CCC 2230a_100000741246_100000210326 [0,1,0,0,0,0|2,0,1]=4 2615 B10R0.1 CCCCCNC(C)CCC 270004a_100000209983_100000211909 [0,1,0,0,0,0|2,0,1]=4 2616 B10R0.1 CCCCCNC(C)CCO 2230a_100000209983_100009893172 [0,1,0,0,0,0|2,0,1]=4 2617 B10R0.1 CCCCCNC(C)COC 2230a_100000209983_100000765312 [0,1,0,0,0,0|2,0,1]=4 2618 B10R0.1 CCCCCNC(C)COC 270004a_100000209983_100000749346 [0,1,0,0,0,0|2,0,1]=4 2619 B10R0.1 CCCCCNC(C)CSC 270004a_100000209983_100011216314 [0,1,0,0,0,0|2,0,1]=4 2620 B10R0.1 CCCCCN[C@H](C)CCO 2230a_100000706166_100000210326 [0,1,0,0,0,0|2,0,1]=4 2621 B10R0.1 CCCCCN[C@H](C)CCO 34a_100000706166_100000718602 [0,1,0,0,0,0|2,0,1]=4 2622 B10R0.1 CCCCCN[C@H](C)COC 2230a_100000764878_100000210326 [0,1,0,0,0,0|2,0,1]=4 2623 B10R0.1 CCCCCOC(C)CCBr 34a_100012276601_100000718602 [0,1,0,0,0,0|2,0,1]=4 2624 B10R0.1 CCCCCOC(C)CCC 34a_100000210253_100000766640 [0,1,0,0,0,0|2,0,1]=4 2625 B10R0.1 CCCCCOC(C)CCC 34a_100000764384_100000718602 [0,1,0,0,0,0|2,0,1]=4 2626 B10R0.1 CCCCCOC(C)CCC 7a_100000210253_100000766640 [0,1,0,0,0,0|2,0,1]=4 2627 B10R0.1 CCCCCOC(C)CCC 7a_100000764384_100000210326 [0,1,0,0,0,0|2,0,1]=4 2628 B10R0.1 CCCCCOC(C)CCO 34a_100000210253_100009893172 [0,1,0,0,0,0|2,0,1]=4 2629 B10R0.1 CCCCCOC(C)CCO 7a_100000210253_100009893172 [0,1,0,0,0,0|2,0,1]=4 2630 B10R0.1 CCCCCOC(C)COC 34a_100000210253_100000765312 [0,1,0,0,0,0|2,0,1]=4 2631 B10R0.1 CCCCCOC(C)COC 7a_100000210253_100000765312 [0,1,0,0,0,0|2,0,1]=4 2632 B10R0.1 CCCCCO[C@H](C)COC 34a_100011934205_100000718602 [0,1,0,0,0,0|2,0,1]=4 2633 B10R0.1 CCCCCSC(C)CCC 62a_100000210326_100000766640 [0,1,0,0,0,0|2,0,1]=4 2634 B10R0.1 CCCCCSC(C)CCC 62a_100000766640_100000210326 [0,1,0,0,0,0|2,0,1]=4 2635 B10R0.1 CCCCCSC(C)CCO 62a_100000210326_100009893172 [0,1,0,0,0,0|2,0,1]=4 2636 B10R0.1 CCCCCSC(C)CCO 62a_100009893172_100000210326 [0,1,0,0,0,0|2,0,1]=4 2637 B10R0.1 CCCCCSC(C)COC 62a_100000210326_100000765312 [0,1,0,0,0,0|2,0,1]=4 2638 B10R0.1 CCCCCSC(C)COC 62a_100000765312_100000210326 [0,1,0,0,0,0|2,0,1]=4 2639 B10R0.1 CCCCNCC(=O)CCC 2230a_100000102301_100000747444 [0,1,0,0,0,0|1,0,0]=2 2640 B10R0.1 CCCCNCC(=O)CCC 7a_106832991798_100000747444 [0,1,0,0,0,0|1,0,0]=2 2641 B10R0.1 CCCCNCC(=O)NCC 2230a_100000102301_100000183381 [0,1,0,0,0,0|1,0,0]=2 2642 B10R0.1 CCCCNCC(=O)NCC 2230a_100016988866_100000210211 [0,1,0,0,0,0|1,0,0]=2 2643 B10R0.1 CCCCNCC(=O)NCC 7a_106832991798_100000183381 [0,1,0,0,0,0|1,0,0]=2 2644 B10R0.1 CCCCNCC(=O)NCO 2230a_100000102301_100000185155 [0,1,0,0,0,0|2,0,0]=3 2645 B10R0.1 CCCCNCC(=O)NCO 7a_106832991798_100000185155 [0,1,0,0,0,0|2,0,0]=3 2646 B10R0.1 CCCCNCC(=O)OCC 2230a_100000102301_100000188475 [0,1,0,0,0,0|1,0,0]=2 2647 B10R0.1 CCCCNCC(=O)OCC 7a_106832991798_100000188475 [0,1,0,0,0,0|1,0,0]=2 2648 B10R0.1 CCCCNCC(C)CCC 2230a_100000102301_100011216630 [0,1,0,0,0,0|2,0,1]=4 2649 B10R0.1 CCCCNCC(C)CCC 270004a_100000102301_100000243154 [0,1,0,0,0,0|2,0,1]=4 2650 B10R0.1 CCCCNCC(C)CCC 7a_106832991798_100011216630 [0,1,0,0,0,0|2,0,1]=4 2651 B10R0.1 CCCCNCC(O)COC 2230a_100000756049_100000210211 [0,1,0,0,0,0|1,0,2]=4 2652 B10R0.1 CCCCNCC(O)COC 34a_100000756049_100000210210 [0,1,0,0,0,0|1,0,2]=4 2653 B10R0.1 CCCCNCC(O)COC 7a_106832991798_100011215053 [0,1,0,0,0,0|1,0,2]=4 2654 B10R0.1 CCCCNN=C(C)CCC 4a_100025702795_100000211909 [0,1,0,0,0,0|3,0,0]=4 2655 B10R0.1 CCCCNN=C(C)COC 4a_100025702795_100000749346 [0,1,0,0,0,0|3,0,0]=4 2656 B10R0.1 CCCCNN=C(C)CSC 4a_100025702795_100011216314 [0,1,0,0,0,0|3,0,0]=4 2657 B10R0.1 CCCCNNC(=O)CC#N 22a_100025702795_100051588842 [0,1,0,0,0,0|2,0,1]=4 2658 B10R0.1 CCCCNNC(=O)CCC 22a_100025702795_100000211992 [0,1,0,0,0,0|2,0,0]=3 2659 B10R0.1 CCCCNNC(=O)CCO 22a_100025702795_100011216618 [0,1,0,0,0,0|2,0,0]=3 2660 B10R0.1 CCCCNNC(=O)COC 22a_100025702795_100000210968 [0,1,0,0,0,0|2,0,0]=3 2661 B10R0.1 CCCCNNC(=O)CSC 22a_100025702795_100000184570 [0,1,0,0,0,0|2,0,0]=3 2662 B10R0.1 CCCCNNC(=O)NCC 273464a_100015525214_100025702795 [0,1,0,0,0,0|2,0,0]=3 2663 B10R0.1 CCCCNNC(=O)NCC 512a_100015525214_100025702795 [0,1,0,0,0,0|2,0,0]=3 2664 B10R0.1 CCCCNNC(=O)NCC 512a_100025702795_100015525214 [0,1,0,0,0,0|2,0,0]=3 2665 B10R0.1 CCCCNNC(=O)NNC 512a_100016993582_100025702795 [0,1,0,0,0,0|3,0,0]=4 2666 B10R0.1 CCCCNNC(=O)NNC 512a_100025702795_100016993582 [0,1,0,0,0,0|3,0,0]=4 2667 B10R0.1 CCCCOCC(=O)C=CBr 1458a_100016273825_100011995733 [0,1,0,0,0,0|1,0,2]=4 2668 B10R0.1 CCCCOCC(=O)C=CCl 1458a_200016279998_100011995733 [0,1,0,0,0,0|1,0,2]=4 2669 B10R0.1 CCCCOCC(=O)C=CI 1458a_100016256311_100011995733 [0,1,0,0,0,0|1,0,2]=4 2670 B10R0.1 CCCCOCC(=O)CC#N 1458a_100000757543_100011214920 [0,1,0,0,0,0|1,0,1]=3 2671 B10R0.1 CCCCOCC(=O)CC#N 1458a_100051588842_100011995733 [0,1,0,0,0,0|1,0,1]=3 2672 B10R0.1 CCCCOCC(=O)CCC 1458a_100000211992_100011995733 [0,1,0,0,0,0|1,0,0]=2 2673 B10R0.1 CCCCOCC(=O)CCC 1458a_100000757543_100000210303 [0,1,0,0,0,0|1,0,0]=2 2674 B10R0.1 CCCCOCC(=O)CCC 7a_100000210227_100000747444 [0,1,0,0,0,0|1,0,0]=2 2675 B10R0.1 CCCCOCC(=O)CCF 1458a_100000757543_100011217306 [0,1,0,0,0,0|1,0,0]=2 2676 B10R0.1 CCCCOCC(=O)CCO 1458a_100000757543_100000211926 [0,1,0,0,0,0|1,0,0]=2 2677 B10R0.1 CCCCOCC(=O)CCO 1458a_100011216618_100011995733 [0,1,0,0,0,0|1,0,0]=2 2678 B10R0.1 CCCCOCC(=O)COC 1458a_100000210968_100011995733 [0,1,0,0,0,0|1,0,0]=2 2679 B10R0.1 CCCCOCC(=O)CSC 1458a_100000184570_100011995733 [0,1,0,0,0,0|1,0,0]=2 2680 B10R0.1 CCCCOCC(=O)NCC 11a_100015525214_100000757543 [0,1,0,0,0,0|1,0,0]=2 2681 B10R0.1 CCCCOCC(=O)NCC 240690a_100015525214_100000757543 [0,1,0,0,0,0|1,0,0]=2 2682 B10R0.1 CCCCOCC(=O)NCC 34a_100000210227_100000183381 [0,1,0,0,0,0|1,0,0]=2 2683 B10R0.1 CCCCOCC(=O)NCC 527a_100015525214_100000757543 [0,1,0,0,0,0|1,0,0]=2 2684 B10R0.1 CCCCOCC(=O)NCC 7a_100000210227_100000183381 [0,1,0,0,0,0|1,0,0]=2 2685 B10R0.1 CCCCOCC(=O)NCO 34a_100000210227_100000185155 [0,1,0,0,0,0|2,0,0]=3 2686 B10R0.1 CCCCOCC(=O)NCO 7a_100000210227_100000185155 [0,1,0,0,0,0|2,0,0]=3 2687 B10R0.1 CCCCOCC(=O)NNC 22a_100016993582_100000757543 [0,1,0,0,0,0|2,0,0]=3 2688 B10R0.1 CCCCOCC(=O)OCC 34a_100000210227_100000188475 [0,1,0,0,0,0|1,0,0]=2 2689 B10R0.1 CCCCOCC(=O)OCC 7a_100000210227_100000188475 [0,1,0,0,0,0|1,0,0]=2 2690 B10R0.1 CCCCOCC(C)CCC 34a_100000210227_100011216630 [0,1,0,0,0,0|2,0,1]=4 2691 B10R0.1 CCCCOCC(C)CCC 34a_100000688023_100000210210 [0,1,0,0,0,0|2,0,1]=4 2692 B10R0.1 CCCCOCC(C)CCC 7a_100000210227_100011216630 [0,1,0,0,0,0|2,0,1]=4 2693 B10R0.1 CCCCOCC(C)CCC 7a_100000688023_100000210211 [0,1,0,0,0,0|2,0,1]=4 2694 B10R0.1 CCCCOCC(C)CCN 34a_106354213184_100000210210 [0,1,0,0,0,0|2,0,1]=4 2695 B10R0.1 CCCCOCC(C)OCC 34a_100011217071_100000210202 [0,1,0,0,0,0|2,0,1]=4 2696 B10R0.1 CCCCOCC(C)OCC 7a_100011217071_100000210202 [0,1,0,0,0,0|2,0,1]=4 2697 B10R0.1 CCCCOCC(N)COC 34a_100000724102_100000210210 [0,1,0,0,0,0|2,0,1]=4 2698 B10R0.1 CCCCOCC(O)COC 34a_100000210227_100011215053 [0,1,0,0,0,0|1,0,2]=4 2699 B10R0.1 CCCCOCC(O)COC 7a_100000210227_100011215053 [0,1,0,0,0,0|1,0,2]=4 2700 B10R0.1 CCCCOCN(C)CCC 2230a_100000747261_100011995733 [0,1,0,0,0,0|3,0,0]=4 2701 B10R0.1 CCCCOCN(C)CCC 269982a_100000747261_100011995733 [0,1,0,0,0,0|3,0,0]=4 2702 B10R0.1 CCCCOCN(C)CCO 2230a_100000210263_100011995733 [0,1,0,0,0,0|3,0,0]=4 2703 B10R0.1 CCCCOCN(C)CCO 269982a_100000210263_100011995733 [0,1,0,0,0,0|3,0,0]=4 2704 B10R0.1 CCCCOC[C@@H](N)CCC 34a_100000732646_100000210210 [0,1,0,0,0,0|2,0,1]=4 2705 B10R0.1 CCCCSCC(=O)CC#N 1458a_100000191162_100011214920 [0,1,0,0,0,0|1,0,1]=3 2706 B10R0.1 CCCCSCC(=O)CCC 1458a_100000191162_100000210303 [0,1,0,0,0,0|1,0,0]=2 2707 B10R0.1 CCCCSCC(=O)CCC 62a_100000210211_100000747444 [0,1,0,0,0,0|1,0,0]=2 2708 B10R0.1 CCCCSCC(=O)CCC 62a_100000747444_100000210210 [0,1,0,0,0,0|1,0,0]=2 2709 B10R0.1 CCCCSCC(=O)CCF 1458a_100000191162_100011217306 [0,1,0,0,0,0|1,0,0]=2 2710 B10R0.1 CCCCSCC(=O)CCO 1458a_100000191162_100000211926 [0,1,0,0,0,0|1,0,0]=2 2711 B10R0.1 CCCCSCC(=O)NCC 11a_100015525214_100000191162 [0,1,0,0,0,0|1,0,0]=2 2712 B10R0.1 CCCCSCC(=O)NCC 240690a_100015525214_100000191162 [0,1,0,0,0,0|1,0,0]=2 2713 B10R0.1 CCCCSCC(=O)NCC 527a_100015525214_100000191162 [0,1,0,0,0,0|1,0,0]=2 2714 B10R0.1 CCCCSCC(=O)NCC 62a_100000183381_100000210210 [0,1,0,0,0,0|1,0,0]=2 2715 B10R0.1 CCCCSCC(=O)NCC 62a_100000210211_100000183381 [0,1,0,0,0,0|1,0,0]=2 2716 B10R0.1 CCCCSCC(=O)NCO 62a_100000185155_100000210210 [0,1,0,0,0,0|2,0,0]=3 2717 B10R0.1 CCCCSCC(=O)NCO 62a_100000210211_100000185155 [0,1,0,0,0,0|2,0,0]=3 2718 B10R0.1 CCCCSCC(=O)NNC 22a_100016993582_100000191162 [0,1,0,0,0,0|2,0,0]=3 2719 B10R0.1 CCCCSCC(=O)OCC 62a_100000188475_100000210210 [0,1,0,0,0,0|1,0,0]=2 2720 B10R0.1 CCCCSCC(=O)OCC 62a_100000210211_100000188475 [0,1,0,0,0,0|1,0,0]=2 2721 B10R0.1 CCCCSCC(C)CCC 62a_100000210211_100011216630 [0,1,0,0,0,0|2,0,1]=4 2722 B10R0.1 CCCCSCC(C)CCC 62a_100011216630_100000210210 [0,1,0,0,0,0|2,0,1]=4 2723 B10R0.1 CCCCSCC(O)COC 62a_100000210211_100011215053 [0,1,0,0,0,0|1,0,2]=4 2724 B10R0.1 CCCCSCC(O)COC 62a_100011215053_100000210210 [0,1,0,0,0,0|1,0,2]=4 2725 B10R0.1 CCCN(C)CCCCCF 2230a_100000747261_100000729378 [0,1,0,0,0,0|3,0,0]=4 2726 B10R0.1 CCCN(C)CCCCCF 269982a_100000747261_100000729378 [0,1,0,0,0,0|3,0,0]=4 2727 B10R0.1 CCCN(C)CCCCCO 2230a_100000722520_100000210303 [0,1,0,0,0,0|3,0,0]=4 2728 B10R0.1 CCCN(C)CCCCCO 2230a_100000747261_100000746330 [0,1,0,0,0,0|3,0,0]=4 2729 B10R0.1 CCCN(C)CCCCCO 269982a_100000722520_100000210303 [0,1,0,0,0,0|3,0,0]=4 2730 B10R0.1 CCCN(C)CCCCCO 269982a_100000747261_100000746330 [0,1,0,0,0,0|3,0,0]=4 2731 B10R0.1 CCCN(C)CCCCOC 2230a_100000747261_100000730899 [0,1,0,0,0,0|3,0,0]=4 2732 B10R0.1 CCCN(C)CCCCOC 269982a_100000747261_100000730899 [0,1,0,0,0,0|3,0,0]=4 2733 B10R0.1 CCCN(C)CCCOCC 2230a_100000747261_100012232248 [0,1,0,0,0,0|3,0,0]=4 2734 B10R0.1 CCCN(C)CCCOCC 269982a_100000747261_100012232248 [0,1,0,0,0,0|3,0,0]=4 2735 B10R0.1 CCCNCCC(=O)NCC 34a_100025743525_100000210303 [0,1,0,0,0,0|1,0,0]=2 2736 B10R0.1 CCCNN=CC(=O)OCC 4a_100000740057_100000742314 [0,1,0,0,0,0|2,0,1]=4 2737 B10R0.1 CCCOCCC(=O)C=CBr 1458a_100016273825_100011215938 [0,1,0,0,0,0|1,0,2]=4 2738 B10R0.1 CCCOCCC(=O)C=CCl 1458a_200016279998_100011215938 [0,1,0,0,0,0|1,0,2]=4 2739 B10R0.1 CCCOCCC(=O)C=CI 1458a_100016256311_100011215938 [0,1,0,0,0,0|1,0,2]=4 2740 B10R0.1 CCCOCCC(=O)CC#N 1458a_100051588842_100011215938 [0,1,0,0,0,0|1,0,1]=3 2741 B10R0.1 CCCOCCC(=O)CCC 1458a_100000211992_100011215938 [0,1,0,0,0,0|1,0,0]=2 2742 B10R0.1 CCCOCCC(=O)CCO 1458a_100011216618_100011215938 [0,1,0,0,0,0|1,0,0]=2 2743 B10R0.1 CCCOCCC(=O)COC 1458a_100000210968_100011215938 [0,1,0,0,0,0|1,0,0]=2 2744 B10R0.1 CCCOCCC(=O)CSC 1458a_100000184570_100011215938 [0,1,0,0,0,0|1,0,0]=2 2745 B10R0.1 CCCOCCC(=O)OCC 34a_100000210258_100000765890 [0,1,0,0,0,0|1,0,0]=2 2746 B10R0.1 CCCOCCC(C)CCC 34a_100011217855_100000210303 [0,1,0,0,0,0|2,0,1]=4 2747 B10R0.1 CCCOCCC(C)CCC 7a_100011217855_100000210303 [0,1,0,0,0,0|2,0,1]=4 2748 B10R0.1 CCCOCCN(C)CCC 2230a_100000747261_100011215938 [0,1,0,0,0,0|3,0,0]=4 2749 B10R0.1 CCCOCCN(C)CCC 269982a_100000747261_100011215938 [0,1,0,0,0,0|3,0,0]=4 2750 B10R0.1 CCCOCCN(C)CCO 2230a_100000210263_100011215938 [0,1,0,0,0,0|3,0,0]=4 2751 B10R0.1 CCCOCCN(C)CCO 269982a_100000210263_100011215938 [0,1,0,0,0,0|3,0,0]=4 2752 B10R0.1 CCCOCC[C@@H](N)CCC 34a_100015193777_100000210303 [0,1,0,0,0,0|2,0,1]=4 2753 B10R0.1 CCCOCOC(=O)CCC 34a_100000210258_100000034017 [0,1,0,0,0,0|2,0,0]=3 2754 B10R0.1 CCCSCCC(=O)NCC 62a_100000210303_100000737597 [0,1,0,0,0,0|1,0,0]=2 2755 B10R0.1 CCCSCCC(=O)NCC 62a_100000737597_100000210303 [0,1,0,0,0,0|1,0,0]=2 2756 B10R0.1 CCCSCCC(=O)OCC 62a_100000210303_100000765890 [0,1,0,0,0,0|1,0,0]=2 2757 B10R0.1 CCCSCCC(=O)OCC 62a_100000765890_100000210303 [0,1,0,0,0,0|1,0,0]=2 2758 B10R0.1 CCCSCOC(=O)CCC 62a_100000210303_100000034017 [0,1,0,0,0,0|2,0,0]=3 2759 B10R0.1 CCCSCOC(=O)OCC 62a_100000210303_100000075025 [0,1,0,0,0,0|2,0,0]=3 2760 B10R0.1 CCNC(=O)CCCCCO 240690a_100015525214_100102619762 [0,1,0,0,0,0|1,0,0]=2 2761 B10R0.1 CCNC(=O)CCCN=[N+]=[N-] 11a_100015525214_100010262590 [0,1,0,0,0,0|3,0,0]=4 2762 B10R0.1 CCNC(=O)CCCN=[N+]=[N-] 240690a_100015525214_100010262590 [0,1,0,0,0,0|3,0,0]=4 2763 B10R0.1 CCNC(=O)CCCN=[N+]=[N-] 527a_100015525214_100010262590 [0,1,0,0,0,0|3,0,0]=4 2764 B10R0.1 CCNC(=O)CCNCC=O 34a_100025743525_200009817547 [0,1,0,0,0,0|2,0,1]=4 2765 B10R0.1 CCNC(=O)CCNCCF 34a_100025743525_100011217306 [0,1,0,0,0,0|2,0,0]=3 2766 B10R0.1 CCNC(=O)CCNCCO 2230a_100016997473_100000737597 [0,1,0,0,0,0|2,0,0]=3 2767 B10R0.1 CCNC(=O)CCNCCO 34a_100025743525_100000211926 [0,1,0,0,0,0|2,0,0]=3 2768 B10R0.1 CCNC(=O)CCNCSC 34a_100025743525_100011218213 [0,1,0,0,0,0|2,0,0]=3 2769 B10R0.1 CCNC(=O)CCOCCO 240690a_100015525214_100011229844 [0,1,0,0,0,0|2,0,0]=3 2770 B10R0.1 CCNC(=O)CCSCC#N 62a_100000737597_100011215382 [0,1,0,0,0,0|2,0,1]=4 2771 B10R0.1 CCNC(=O)CCSCC#N 62a_100011215382_100000737597 [0,1,0,0,0,0|2,0,1]=4 2772 B10R0.1 CCNC(=O)CCSCC=O 62a_100000737597_200015260668 [0,1,0,0,0,0|2,0,1]=4 2773 B10R0.1 CCNC(=O)CCSCC=O 62a_200015260668_100000737597 [0,1,0,0,0,0|2,0,1]=4 2774 B10R0.1 CCNC(=O)CCSCCF 62a_100000737597_100011217306 [0,1,0,0,0,0|2,0,0]=3 2775 B10R0.1 CCNC(=O)CCSCCF 62a_100011217306_100000737597 [0,1,0,0,0,0|2,0,0]=3 2776 B10R0.1 CCNC(=O)CCSCCO 62a_100000211926_100000737597 [0,1,0,0,0,0|2,0,0]=3 2777 B10R0.1 CCNC(=O)CCSCCO 62a_100000737597_100000211926 [0,1,0,0,0,0|2,0,0]=3 2778 B10R0.1 CCNC(=O)CCSCOC 62a_100000737597_100000766300 [0,1,0,0,0,0|2,0,0]=3 2779 B10R0.1 CCNC(=O)CCSCOC 62a_100000766300_100000737597 [0,1,0,0,0,0|2,0,0]=3 2780 B10R0.1 CCNC(=O)CCSCSC 62a_100000737597_100011218213 [0,1,0,0,0,0|2,0,0]=3 2781 B10R0.1 CCNC(=O)CCSCSC 62a_100011218213_100000737597 [0,1,0,0,0,0|2,0,0]=3 2782 B10R0.1 CCNC(=O)CNCCC#N 2230a_100016988866_100011215226 [0,1,0,0,0,0|2,0,1]=4 2783 B10R0.1 CCNC(=O)CNCCCF 2230a_100015189416_100000183381 [0,1,0,0,0,0|2,0,0]=3 2784 B10R0.1 CCNC(=O)CNCCCF 2230a_100016988866_100011934791 [0,1,0,0,0,0|2,0,0]=3 2785 B10R0.1 CCNC(=O)CNCCCF 34a_100015189416_100000183381 [0,1,0,0,0,0|2,0,0]=3 2786 B10R0.1 CCNC(=O)CNCCCO 2230a_100016988866_100000230001 [0,1,0,0,0,0|2,0,0]=3 2787 B10R0.1 CCNC(=O)CNCCOC 2230a_100000209980_100000183381 [0,1,0,0,0,0|2,0,0]=3 2788 B10R0.1 CCNC(=O)CNCCOC 2230a_100016988866_100011201679 [0,1,0,0,0,0|2,0,0]=3 2789 B10R0.1 CCNC(=O)CNCCSC 2230a_100016988866_100000751147 [0,1,0,0,0,0|2,0,0]=3 2790 B10R0.1 CCNC(=O)CNCCSC 2230a_100020590264_100000183381 [0,1,0,0,0,0|2,0,0]=3 2791 B10R0.1 CCNC(=O)COCCCBr 34a_100011217188_100000183381 [0,1,0,0,0,0|2,0,0]=3 2792 B10R0.1 CCNC(=O)COCCCCl 34a_100000230001_100000183381 [0,1,0,0,0,0|2,0,0]=3 2793 B10R0.1 CCNC(=O)COCCCF 34a_100000759539_100000183381 [0,1,0,0,0,0|2,0,0]=3 2794 B10R0.1 CCNC(=O)COCCCN 34a_100000182051_100000183381 [0,1,0,0,0,0|2,0,0]=3 2795 B10R0.1 CCNC(=O)COCCOC 11a_100015525214_100000211095 [0,1,0,0,0,0|2,0,0]=3 2796 B10R0.1 CCNC(=O)COCCOC 240690a_100015525214_100000211095 [0,1,0,0,0,0|2,0,0]=3 2797 B10R0.1 CCNC(=O)COCCOC 34a_100000210237_100000183381 [0,1,0,0,0,0|2,0,0]=3 2798 B10R0.1 CCNC(=O)COCCOC 527a_100015525214_100000211095 [0,1,0,0,0,0|2,0,0]=3 2799 B10R0.1 CCNC(=O)COCCON 34a_100000700252_100000183381 [0,1,0,0,0,0|3,0,0]=4 2800 B10R0.1 CCNC(=O)COCCSC 34a_100000230434_100000183381 [0,1,0,0,0,0|2,0,0]=3 2801 B10R0.1 CCNC(=O)COCCSC 7a_100000230434_100000183381 [0,1,0,0,0,0|2,0,0]=3 2802 B10R0.1 CCNC(=O)CSCCC#N 62a_100000183381_100011215226 [0,1,0,0,0,0|2,0,1]=4 2803 B10R0.1 CCNC(=O)CSCCC#N 62a_100011215226_100000183381 [0,1,0,0,0,0|2,0,1]=4 2804 B10R0.1 CCNC(=O)CSCCCF 62a_100000183381_100011934791 [0,1,0,0,0,0|2,0,0]=3 2805 B10R0.1 CCNC(=O)CSCCCF 62a_100011934791_100000183381 [0,1,0,0,0,0|2,0,0]=3 2806 B10R0.1 CCNC(=O)CSCCCO 62a_100000183381_100011215043 [0,1,0,0,0,0|2,0,0]=3 2807 B10R0.1 CCNC(=O)CSCCCO 62a_100011215043_100000183381 [0,1,0,0,0,0|2,0,0]=3 2808 B10R0.1 CCNC(=O)CSCCOC 62a_100000183381_100000233755 [0,1,0,0,0,0|2,0,0]=3 2809 B10R0.1 CCNC(=O)CSCCOC 62a_100000233755_100000183381 [0,1,0,0,0,0|2,0,0]=3 2810 B10R0.1 CCNC(=O)CSCCSC 62a_100000183381_100000751147 [0,1,0,0,0,0|2,0,0]=3 2811 B10R0.1 CCNC(=O)CSCCSC 62a_100000212216_100000183381 [0,1,0,0,0,0|2,0,0]=3 2812 B10R0.1 CCNC(=O)CSCOCC 62a_100000183381_100000739092 [0,1,0,0,0,0|2,0,0]=3 2813 B10R0.1 CCNC(=O)CSCOCC 62a_100000739092_100000183381 [0,1,0,0,0,0|2,0,0]=3 2814 B10R0.1 CCNC(=O)NCCCCO 2708a_100000750430_100015525214 [0,1,0,0,0,0|2,0,0]=3 2815 B10R0.1 CCNC(=O)NCCCCO 2708a_100015525214_100000750430 [0,1,0,0,0,0|2,0,0]=3 2816 B10R0.1 CCNC(=O)NCCCCO 273464a_100000750430_100015525214 [0,1,0,0,0,0|2,0,0]=3 2817 B10R0.1 CCNC(=O)NCCCCO 273464a_100015525214_100000750430 [0,1,0,0,0,0|2,0,0]=3 2818 B10R0.1 CCNC(=O)NCCCCO 512a_100000750430_100015525214 [0,1,0,0,0,0|2,0,0]=3 2819 B10R0.1 CCNC(=O)NCCCCO 512a_100015525214_100000750430 [0,1,0,0,0,0|2,0,0]=3 2820 B10R0.1 CCNC(=O)NCCCOC 2708a_100015525214_100150723488 [0,1,0,0,0,0|2,0,0]=3 2821 B10R0.1 CCNC(=O)NCCCOC 2708a_100150723488_100015525214 [0,1,0,0,0,0|2,0,0]=3 2822 B10R0.1 CCNC(=O)NCCCOC 273464a_100015525214_100150723488 [0,1,0,0,0,0|2,0,0]=3 2823 B10R0.1 CCNC(=O)NCCCOC 273464a_100150723488_100015525214 [0,1,0,0,0,0|2,0,0]=3 2824 B10R0.1 CCNC(=O)NCCCOC 512a_100015525214_100150723488 [0,1,0,0,0,0|2,0,0]=3 2825 B10R0.1 CCNC(=O)NCCCSC 2708a_100000749238_100015525214 [0,1,0,0,0,0|2,0,0]=3 2826 B10R0.1 CCNC(=O)NCCCSC 2708a_100015525214_100000749238 [0,1,0,0,0,0|2,0,0]=3 2827 B10R0.1 CCNC(=O)NCCCSC 273464a_100000749238_100015525214 [0,1,0,0,0,0|2,0,0]=3 2828 B10R0.1 CCNC(=O)NCCCSC 273464a_100015525214_100000749238 [0,1,0,0,0,0|2,0,0]=3 2829 B10R0.1 CCNC(=O)NCCCSC 512a_100000749238_100015525214 [0,1,0,0,0,0|2,0,0]=3 2830 B10R0.1 CCNC(=O)NCCCSC 512a_100015525214_100000749238 [0,1,0,0,0,0|2,0,0]=3 2831 B10R0.1 CCNC(=O)NCCOCC 2708a_100011200944_100015525214 [0,1,0,0,0,0|2,0,0]=3 2832 B10R0.1 CCNC(=O)NCCOCC 2708a_100015525214_100011200944 [0,1,0,0,0,0|2,0,0]=3 2833 B10R0.1 CCNC(=O)NCCOCC 273464a_100015525214_102516460346 [0,1,0,0,0,0|2,0,0]=3 2834 B10R0.1 CCNC(=O)NCCOCC 273464a_102516460346_100015525214 [0,1,0,0,0,0|2,0,0]=3 2835 B10R0.1 CCNC(=O)NCCOCC 512a_100011200944_100015525214 [0,1,0,0,0,0|2,0,0]=3 2836 B10R0.1 CCNC(=O)NCCOCC 512a_100015525214_100011200944 [0,1,0,0,0,0|2,0,0]=3 2837 B10R0.1 CCNC(=O)NCCSCC 2708a_100000106463_100015525214 [0,1,0,0,0,0|2,0,0]=3 2838 B10R0.1 CCNC(=O)NCCSCC 2708a_100015525214_100000106463 [0,1,0,0,0,0|2,0,0]=3 2839 B10R0.1 CCNC(=O)NCCSCC 273464a_100000106463_100015525214 [0,1,0,0,0,0|2,0,0]=3 2840 B10R0.1 CCNC(=O)NCCSCC 273464a_100015525214_100000106463 [0,1,0,0,0,0|2,0,0]=3 2841 B10R0.1 CCNC(=O)NCCSCC 512a_100000106463_100015525214 [0,1,0,0,0,0|2,0,0]=3 2842 B10R0.1 CCNC(=O)NCCSCC 512a_100015525214_100000106463 [0,1,0,0,0,0|2,0,0]=3 2843 B10R0.1 CCNC(=O)NNCCOC 273464a_100015525214_100000741390 [0,1,0,0,0,0|3,0,0]=4 2844 B10R0.1 CCNC/C=C/C(=O)OCC 2230a_100015525214_100016267167 [0,1,0,0,0,0|1,0,2]=4 2845 B10R0.1 CCNCCCC(=O)OCC 2230a_100015525214_100009991533 [0,1,0,0,0,0|1,0,0]=2 2846 B10R0.1 CCOC(=O)/C=C/CSCC 62a_100000210202_100016267167 [0,1,0,0,0,0|1,0,2]=4 2847 B10R0.1 CCOC(=O)/C=C/CSCC 62a_100016267167_100000210202 [0,1,0,0,0,0|1,0,2]=4 2848 B10R0.1 CCOC(=O)CCCCNC 2230a_106832991635_100000750268 [0,1,0,0,0,0|1,0,0]=2 2849 B10R0.1 CCOC(=O)CCCCNC 34a_100102657272_100000750268 [0,1,0,0,0,0|1,0,0]=2 2850 B10R0.1 CCOC(=O)CCCCNC 7a_106832991635_100000750268 [0,1,0,0,0,0|1,0,0]=2 2851 B10R0.1 CCOC(=O)CCCCOC 34a_100138415774_100000750268 [0,1,0,0,0,0|1,0,0]=2 2852 B10R0.1 CCOC(=O)CCCCSC 62a_100000750268_200000210301 [0,1,0,0,0,0|1,0,0]=2 2853 B10R0.1 CCOC(=O)CCCCSC 62a_200000210301_100000750268 [0,1,0,0,0,0|1,0,0]=2 2854 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_100000750268_200025704644 [0,1,0,0,0,0|1,0,0]=2 2855 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_200025704644_100000750268 [0,1,0,0,0,0|1,0,0]=2 2856 B10R0.1 CCOC(=O)CCCOCF 7a_100012001163_100015361967 [0,1,0,0,0,0|2,0,0]=3 2857 B10R0.1 CCOC(=O)CCCSCC 62a_100000210202_100009991533 [0,1,0,0,0,0|1,0,0]=2 2858 B10R0.1 CCOC(=O)CCCSCC 62a_100009991533_100000210202 [0,1,0,0,0,0|1,0,0]=2 2859 B10R0.1 CCOC(=O)CCCSCF 62a_100009991533_100015361967 [0,1,0,0,0,0|2,0,0]=3 2860 B10R0.1 CCOC(=O)CCCSCF 62a_100015361967_100009991533 [0,1,0,0,0,0|2,0,0]=3 2861 B10R0.1 CCOC(=O)CCNCCF 34a_100000724931_100000765890 [0,1,0,0,0,0|2,0,0]=3 2862 B10R0.1 CCOC(=O)CCNCCO 2230a_100016997473_100011206558 [0,1,0,0,0,0|2,0,0]=3 2863 B10R0.1 CCOC(=O)CCNCCO 34a_100016990907_100000765890 [0,1,0,0,0,0|2,0,0]=3 2864 B10R0.1 CCOC(=O)CCOCCBr 34a_100000211926_100000765890 [0,1,0,0,0,0|2,0,0]=3 2865 B10R0.1 CCOC(=O)CCOCCN 34a_100000210304_100000765890 [0,1,0,0,0,0|2,0,0]=3 2866 B10R0.1 CCOC(=O)CCSCC#N 62a_100000765890_100011215382 [0,1,0,0,0,0|2,0,1]=4 2867 B10R0.1 CCOC(=O)CCSCC#N 62a_100011215382_100000765890 [0,1,0,0,0,0|2,0,1]=4 2868 B10R0.1 CCOC(=O)CCSCC=O 62a_100000765890_200015260668 [0,1,0,0,0,0|2,0,1]=4 2869 B10R0.1 CCOC(=O)CCSCC=O 62a_200015260668_100000765890 [0,1,0,0,0,0|2,0,1]=4 2870 B10R0.1 CCOC(=O)CCSCCF 62a_100000765890_100011217306 [0,1,0,0,0,0|2,0,0]=3 2871 B10R0.1 CCOC(=O)CCSCCF 62a_100011217306_100000765890 [0,1,0,0,0,0|2,0,0]=3 2872 B10R0.1 CCOC(=O)CCSCCO 62a_100000211926_100000765890 [0,1,0,0,0,0|2,0,0]=3 2873 B10R0.1 CCOC(=O)CCSCCO 62a_100000765890_100000211926 [0,1,0,0,0,0|2,0,0]=3 2874 B10R0.1 CCOC(=O)CCSCOC 62a_100000765890_100000766300 [0,1,0,0,0,0|2,0,0]=3 2875 B10R0.1 CCOC(=O)CCSCOC 62a_100000766300_100000765890 [0,1,0,0,0,0|2,0,0]=3 2876 B10R0.1 CCOC(=O)CCSCSC 62a_100000765890_100011218213 [0,1,0,0,0,0|2,0,0]=3 2877 B10R0.1 CCOC(=O)CCSCSC 62a_100011218213_100000765890 [0,1,0,0,0,0|2,0,0]=3 2878 B10R0.1 CCOC(=O)CNCCCF 2230a_100015189416_100000188475 [0,1,0,0,0,0|2,0,0]=3 2879 B10R0.1 CCOC(=O)CNCCCF 34a_100015189416_100000188475 [0,1,0,0,0,0|2,0,0]=3 2880 B10R0.1 CCOC(=O)CNCCOC 2230a_100000209980_100000188475 [0,1,0,0,0,0|2,0,0]=3 2881 B10R0.1 CCOC(=O)CNCCSC 2230a_100020590264_100000188475 [0,1,0,0,0,0|2,0,0]=3 2882 B10R0.1 CCOC(=O)COCCCBr 34a_100011217188_100000188475 [0,1,0,0,0,0|2,0,0]=3 2883 B10R0.1 CCOC(=O)COCCCCl 34a_100000230001_100000188475 [0,1,0,0,0,0|2,0,0]=3 2884 B10R0.1 CCOC(=O)COCCCF 34a_100000759539_100000188475 [0,1,0,0,0,0|2,0,0]=3 2885 B10R0.1 CCOC(=O)COCCCN 34a_100000182051_100000188475 [0,1,0,0,0,0|2,0,0]=3 2886 B10R0.1 CCOC(=O)COCCNC 2230a_106832991635_100000088970 [0,1,0,0,0,0|2,0,0]=3 2887 B10R0.1 CCOC(=O)COCCNC 34a_100102657272_100000088970 [0,1,0,0,0,0|2,0,0]=3 2888 B10R0.1 CCOC(=O)COCCNC 7a_106832991635_100000088970 [0,1,0,0,0,0|2,0,0]=3 2889 B10R0.1 CCOC(=O)COCCOC 34a_100000210237_100000188475 [0,1,0,0,0,0|2,0,0]=3 2890 B10R0.1 CCOC(=O)COCCOC 34a_100138415774_100000088970 [0,1,0,0,0,0|2,0,0]=3 2891 B10R0.1 CCOC(=O)COCCON 34a_100000700252_100000188475 [0,1,0,0,0,0|3,0,0]=4 2892 B10R0.1 CCOC(=O)COCCSC 34a_100000230434_100000188475 [0,1,0,0,0,0|2,0,0]=3 2893 B10R0.1 CCOC(=O)COCCSC 62a_100000088970_200000210301 [0,1,0,0,0,0|2,0,0]=3 2894 B10R0.1 CCOC(=O)COCCSC 62a_200000210301_100000088970 [0,1,0,0,0,0|2,0,0]=3 2895 B10R0.1 CCOC(=O)COCCSC 7a_100000230434_100000188475 [0,1,0,0,0,0|2,0,0]=3 2896 B10R0.1 CCOC(=O)COCCS[13CH3] 62a_100000088970_200025704644 [0,1,0,0,0,0|2,0,0]=3 2897 B10R0.1 CCOC(=O)COCCS[13CH3] 62a_200025704644_100000088970 [0,1,0,0,0,0|2,0,0]=3 2898 B10R0.1 CCOC(=O)CSCCC#N 62a_100000188475_100011215226 [0,1,0,0,0,0|2,0,1]=4 2899 B10R0.1 CCOC(=O)CSCCC#N 62a_100011215226_100000188475 [0,1,0,0,0,0|2,0,1]=4 2900 B10R0.1 CCOC(=O)CSCCCF 62a_100000188475_100011934791 [0,1,0,0,0,0|2,0,0]=3 2901 B10R0.1 CCOC(=O)CSCCCF 62a_100011934791_100000188475 [0,1,0,0,0,0|2,0,0]=3 2902 B10R0.1 CCOC(=O)CSCCCO 62a_100000188475_100011215043 [0,1,0,0,0,0|2,0,0]=3 2903 B10R0.1 CCOC(=O)CSCCCO 62a_100011215043_100000188475 [0,1,0,0,0,0|2,0,0]=3 2904 B10R0.1 CCOC(=O)CSCCOC 62a_100000188475_100000233755 [0,1,0,0,0,0|2,0,0]=3 2905 B10R0.1 CCOC(=O)CSCCOC 62a_100000233755_100000188475 [0,1,0,0,0,0|2,0,0]=3 2906 B10R0.1 CCOC(=O)CSCCOC 7a_200000230590_200000210301 [0,1,0,0,0,0|2,0,0]=3 2907 B10R0.1 CCOC(=O)CSCCO[13CH3] 7a_200000230590_200025704644 [0,1,0,0,0,0|2,0,0]=3 2908 B10R0.1 CCOC(=O)CSCCSC 62a_100000188475_100000751147 [0,1,0,0,0,0|2,0,0]=3 2909 B10R0.1 CCOC(=O)CSCCSC 62a_100000212216_100000188475 [0,1,0,0,0,0|2,0,0]=3 2910 B10R0.1 CCOC(=O)NCCOCF 34a_100000158857_100015361967 [0,1,0,0,0,0|3,0,0]=4 2911 B10R0.1 CCOC(=O)NCCSCC 62a_100000210202_200011445536 [0,1,0,0,0,0|2,0,0]=3 2912 B10R0.1 CCOC(=O)NCCSCF 62a_100015361967_200011445536 [0,1,0,0,0,0|3,0,0]=4 2913 B10R0.1 CCOC(=O)OCSCCF 62a_100011217306_100000075025 [0,1,0,0,0,0|3,0,0]=4 2914 B10R0.1 CCOC(=O)OCSCCO 62a_100000211926_100000075025 [0,1,0,0,0,0|3,0,0]=4 2915 B10R0.1 CCOC(=O)OCSCOC 62a_100000766300_100000075025 [0,1,0,0,0,0|3,0,0]=4 2916 B10R0.1 CCOC(=O)OCSCSC 62a_100011218213_100000075025 [0,1,0,0,0,0|3,0,0]=4 2917 B10R0.1 CCOC/C=C/C(=O)OCC 34a_100121572206_100016267167 [0,1,0,0,0,0|1,0,2]=4 2918 B10R0.1 CCOCCCC(=O)C=CBr 1458a_100016273825_100012232248 [0,1,0,0,0,0|1,0,2]=4 2919 B10R0.1 CCOCCCC(=O)C=CCl 1458a_200016279998_100012232248 [0,1,0,0,0,0|1,0,2]=4 2920 B10R0.1 CCOCCCC(=O)C=CI 1458a_100016256311_100012232248 [0,1,0,0,0,0|1,0,2]=4 2921 B10R0.1 CCOCCCC(=O)CC#N 1458a_100051588842_100012232248 [0,1,0,0,0,0|1,0,1]=3 2922 B10R0.1 CCOCCCC(=O)CCO 1458a_100011216618_100012232248 [0,1,0,0,0,0|1,0,0]=2 2923 B10R0.1 CCOCCCC(=O)COC 1458a_100000210968_100012232248 [0,1,0,0,0,0|1,0,0]=2 2924 B10R0.1 CCOCCCC(=O)CSC 1458a_100000184570_100012232248 [0,1,0,0,0,0|1,0,0]=2 2925 B10R0.1 CCOCCCC(=O)OCC 34a_100121572206_100009991533 [0,1,0,0,0,0|1,0,0]=2 2926 B10R0.1 CCOCCCC(=O)OCC 7a_100012001163_100000210202 [0,1,0,0,0,0|1,0,0]=2 2927 B10R0.1 CCOCCCN(C)CCO 2230a_100000210263_100012232248 [0,1,0,0,0,0|3,0,0]=4 2928 B10R0.1 CCOCCCN(C)CCO 269982a_100000210263_100012232248 [0,1,0,0,0,0|3,0,0]=4 2929 B10R0.1 CCOCCNC(=O)CC#N 1626a_102516460346_100051588842 [0,1,0,0,0,0|2,0,1]=4 2930 B10R0.1 CCOCCNC(=O)CC#N 240690a_100011200944_100051588842 [0,1,0,0,0,0|2,0,1]=4 2931 B10R0.1 CCOCCNC(=O)CCO 240690a_100011200944_100011216618 [0,1,0,0,0,0|2,0,0]=3 2932 B10R0.1 CCOCCNC(=O)COC 11a_100011200944_100000210968 [0,1,0,0,0,0|2,0,0]=3 2933 B10R0.1 CCOCCNC(=O)COC 1626a_102516460346_100000210968 [0,1,0,0,0,0|2,0,0]=3 2934 B10R0.1 CCOCCNC(=O)COC 240690a_100011200944_100000210968 [0,1,0,0,0,0|2,0,0]=3 2935 B10R0.1 CCOCCNC(=O)COC 527a_100011200944_100000210968 [0,1,0,0,0,0|2,0,0]=3 2936 B10R0.1 CCOCCNC(=O)CSC 11a_100011200944_100000184570 [0,1,0,0,0,0|2,0,0]=3 2937 B10R0.1 CCOCCNC(=O)CSC 1626a_102516460346_100000184570 [0,1,0,0,0,0|2,0,0]=3 2938 B10R0.1 CCOCCNC(=O)CSC 240690a_100011200944_100000184570 [0,1,0,0,0,0|2,0,0]=3 2939 B10R0.1 CCOCCNC(=O)CSC 527a_100011200944_100000184570 [0,1,0,0,0,0|2,0,0]=3 2940 B10R0.1 CCOCCNC(=O)NNC 273464a_102516460346_100016993582 [0,1,0,0,0,0|3,0,0]=4 2941 B10R0.1 CCOCCNC(=O)NNC 512a_100011200944_100016993582 [0,1,0,0,0,0|3,0,0]=4 2942 B10R0.1 CCOCCNC(=O)NNC 512a_100016993582_100011200944 [0,1,0,0,0,0|3,0,0]=4 2943 B10R0.1 CCOCCNC(=O)OCC 34a_100000158857_100000210202 [0,1,0,0,0,0|2,0,0]=3 2944 B10R0.1 CCOCCOC(=O)CNC 2230a_106832991635_200000101388 [0,1,0,0,0,0|2,0,0]=3 2945 B10R0.1 CCOCCOC(=O)CNC 34a_100102657272_200000101388 [0,1,0,0,0,0|2,0,0]=3 2946 B10R0.1 CCOCCOC(=O)CNC 7a_106832991635_200000101388 [0,1,0,0,0,0|2,0,0]=3 2947 B10R0.1 CCOCCOC(=O)COC 34a_100138415774_200000101388 [0,1,0,0,0,0|2,0,0]=3 2948 B10R0.1 CCOCCOC(=O)CSC 62a_200000101388_200000210301 [0,1,0,0,0,0|2,0,0]=3 2949 B10R0.1 CCOCCOC(=O)CSC 62a_200000210301_200000101388 [0,1,0,0,0,0|2,0,0]=3 2950 B10R0.1 CCOCCOC(=O)CS[13CH3] 62a_200000101388_200025704644 [0,1,0,0,0,0|2,0,0]=3 2951 B10R0.1 CCOCCOC(=O)CS[13CH3] 62a_200025704644_200000101388 [0,1,0,0,0,0|2,0,0]=3 2952 B10R0.1 CCOCSCC(=O)NCO 62a_100000185155_100000739092 [0,1,0,0,0,0|3,0,0]=4 2953 B10R0.1 CCOCSCC(=O)NCO 62a_100000739092_100000185155 [0,1,0,0,0,0|3,0,0]=4 2954 B10R0.1 CCOCSCC(=O)OCC 62a_100000188475_100000739092 [0,1,0,0,0,0|2,0,0]=3 2955 B10R0.1 CCOCSCC(=O)OCC 62a_100000739092_100000188475 [0,1,0,0,0,0|2,0,0]=3 2956 B10R0.1 CCSCCNC(=O)CC#N 1626a_100000106463_100051588842 [0,1,0,0,0,0|2,0,1]=4 2957 B10R0.1 CCSCCNC(=O)CC#N 240690a_100000106463_100051588842 [0,1,0,0,0,0|2,0,1]=4 2958 B10R0.1 CCSCCNC(=O)CCO 240690a_100000106463_100011216618 [0,1,0,0,0,0|2,0,0]=3 2959 B10R0.1 CCSCCNC(=O)COC 11a_100000106463_100000210968 [0,1,0,0,0,0|2,0,0]=3 2960 B10R0.1 CCSCCNC(=O)COC 1626a_100000106463_100000210968 [0,1,0,0,0,0|2,0,0]=3 2961 B10R0.1 CCSCCNC(=O)COC 240690a_100000106463_100000210968 [0,1,0,0,0,0|2,0,0]=3 2962 B10R0.1 CCSCCNC(=O)COC 527a_100000106463_100000210968 [0,1,0,0,0,0|2,0,0]=3 2963 B10R0.1 CCSCCNC(=O)CSC 11a_100000106463_100000184570 [0,1,0,0,0,0|2,0,0]=3 2964 B10R0.1 CCSCCNC(=O)CSC 1626a_100000106463_100000184570 [0,1,0,0,0,0|2,0,0]=3 2965 B10R0.1 CCSCCNC(=O)CSC 240690a_100000106463_100000184570 [0,1,0,0,0,0|2,0,0]=3 2966 B10R0.1 CCSCCNC(=O)CSC 527a_100000106463_100000184570 [0,1,0,0,0,0|2,0,0]=3 2967 B10R0.1 CCSCCNC(=O)NNC 273464a_100000106463_100016993582 [0,1,0,0,0,0|3,0,0]=4 2968 B10R0.1 CCSCCNC(=O)NNC 512a_100000106463_100016993582 [0,1,0,0,0,0|3,0,0]=4 2969 B10R0.1 CCSCCNC(=O)NNC 512a_100016993582_100000106463 [0,1,0,0,0,0|3,0,0]=4 2970 B10R0.1 CN(CCF)CCCCCO 2230a_100000722520_100011217306 [0,1,0,0,0,0|3,0,0]=4 2971 B10R0.1 CN(CCF)CCCCCO 269982a_100000722520_100011217306 [0,1,0,0,0,0|3,0,0]=4 2972 B10R0.1 CN(CCO)CCCCCF 2230a_100000210263_100000729378 [0,1,0,0,0,0|3,0,0]=4 2973 B10R0.1 CN(CCO)CCCCCF 269982a_100000210263_100000729378 [0,1,0,0,0,0|3,0,0]=4 2974 B10R0.1 CN(CCO)CCCCCO 2230a_100000210263_100000746330 [0,1,0,0,0,0|3,0,0]=4 2975 B10R0.1 CN(CCO)CCCCCO 2230a_100000722520_100000211926 [0,1,0,0,0,0|3,0,0]=4 2976 B10R0.1 CN(CCO)CCCCCO 269982a_100000210263_100000746330 [0,1,0,0,0,0|3,0,0]=4 2977 B10R0.1 CN(CCO)CCCCCO 269982a_100000722520_100000211926 [0,1,0,0,0,0|3,0,0]=4 2978 B10R0.1 CNCC(=O)NCCCOC 2230a_106832991635_100000183178 [0,1,0,0,0,0|2,0,0]=3 2979 B10R0.1 CNCC(=O)NCCCOC 34a_100102657272_100000183178 [0,1,0,0,0,0|2,0,0]=3 2980 B10R0.1 CNCC(=O)NCCCOC 7a_106832991635_100000183178 [0,1,0,0,0,0|2,0,0]=3 2981 B10R0.1 CNNC(=O)CCCCCO 22a_100016993582_100102619762 [0,1,0,0,0,0|2,0,0]=3 2982 B10R0.1 CNNC(=O)CCOCCO 22a_100016993582_100011229844 [0,1,0,0,0,0|3,0,0]=4 2983 B10R0.1 CNNC(=O)COCCOC 22a_100016993582_100000211095 [0,1,0,0,0,0|3,0,0]=4 2984 B10R0.1 CNNC(=O)NCCCCO 273464a_100000750430_100016993582 [0,1,0,0,0,0|3,0,0]=4 2985 B10R0.1 CNNC(=O)NCCCCO 512a_100000750430_100016993582 [0,1,0,0,0,0|3,0,0]=4 2986 B10R0.1 CNNC(=O)NCCCCO 512a_100016993582_100000750430 [0,1,0,0,0,0|3,0,0]=4 2987 B10R0.1 CNNC(=O)NCCCOC 273464a_100150723488_100016993582 [0,1,0,0,0,0|3,0,0]=4 2988 B10R0.1 CNNC(=O)NCCCOC 512a_100016993582_100150723488 [0,1,0,0,0,0|3,0,0]=4 2989 B10R0.1 CNNC(=O)NCCCSC 273464a_100000749238_100016993582 [0,1,0,0,0,0|3,0,0]=4 2990 B10R0.1 CNNC(=O)NCCCSC 512a_100000749238_100016993582 [0,1,0,0,0,0|3,0,0]=4 2991 B10R0.1 CNNC(=O)NCCCSC 512a_100016993582_100000749238 [0,1,0,0,0,0|3,0,0]=4 2992 B10R0.1 COCC(=O)CCCCC#N 1458a_100000210968_100000211819 [0,1,0,0,0,0|1,0,1]=3 2993 B10R0.1 COCC(=O)CCCCCF 1458a_100000210968_100000729378 [0,1,0,0,0,0|1,0,0]=2 2994 B10R0.1 COCC(=O)CCCCCO 1458a_100000210968_100000746330 [0,1,0,0,0,0|1,0,0]=2 2995 B10R0.1 COCC(=O)CCOCC#N 1458a_100000210968_200000047693 [0,1,0,0,0,0|2,0,1]=4 2996 B10R0.1 COCC(=O)CCOCCO 1458a_100000210968_100011215305 [0,1,0,0,0,0|2,0,0]=3 2997 B10R0.1 COCC(=O)NCCCCO 240690a_100000750430_100000210968 [0,1,0,0,0,0|2,0,0]=3 2998 B10R0.1 COCC(=O)NCCCCO 527a_100000750430_100000210968 [0,1,0,0,0,0|2,0,0]=3 2999 B10R0.1 COCC(=O)NCCCSC 11a_100000749238_100000210968 [0,1,0,0,0,0|2,0,0]=3 3000 B10R0.1 COCC(=O)NCCCSC 1626a_100000749238_100000210968 [0,1,0,0,0,0|2,0,0]=3 3001 B10R0.1 COCC(=O)NCCCSC 240690a_100000749238_100000210968 [0,1,0,0,0,0|2,0,0]=3 3002 B10R0.1 COCC(=O)NCCCSC 527a_100000749238_100000210968 [0,1,0,0,0,0|2,0,0]=3 3003 B10R0.1 COCCCCC(=O)C=CBr 1458a_100016273825_100000755781 [0,1,0,0,0,0|1,0,2]=4 3004 B10R0.1 COCCCCC(=O)C=CCl 1458a_200016279998_100000755781 [0,1,0,0,0,0|1,0,2]=4 3005 B10R0.1 COCCCCC(=O)C=CI 1458a_100016256311_100000755781 [0,1,0,0,0,0|1,0,2]=4 3006 B10R0.1 COCCCCC(=O)CC#N 1458a_100051588842_100000755781 [0,1,0,0,0,0|1,0,1]=3 3007 B10R0.1 COCCCCC(=O)CCO 1458a_100011216618_100000755781 [0,1,0,0,0,0|1,0,0]=2 3008 B10R0.1 COCCCCC(=O)COC 1458a_100000210968_100000755781 [0,1,0,0,0,0|1,0,0]=2 3009 B10R0.1 COCCCCC(=O)CSC 1458a_100000184570_100000755781 [0,1,0,0,0,0|1,0,0]=2 3010 B10R0.1 COCCCCN(C)CCO 2230a_100000210263_100000730899 [0,1,0,0,0,0|3,0,0]=4 3011 B10R0.1 COCCCCN(C)CCO 269982a_100000210263_100000730899 [0,1,0,0,0,0|3,0,0]=4 3012 B10R0.1 COCCCNC(=O)CC#N 1626a_100150723488_100051588842 [0,1,0,0,0,0|2,0,1]=4 3013 B10R0.1 COCCCNC(=O)CC#N 240690a_100150723488_100051588842 [0,1,0,0,0,0|2,0,1]=4 3014 B10R0.1 COCCCNC(=O)CCO 240690a_100150723488_100011216618 [0,1,0,0,0,0|2,0,0]=3 3015 B10R0.1 COCCCNC(=O)COC 1626a_100150723488_100000210968 [0,1,0,0,0,0|2,0,0]=3 3016 B10R0.1 COCCCNC(=O)COC 240690a_100150723488_100000210968 [0,1,0,0,0,0|2,0,0]=3 3017 B10R0.1 COCCCNC(=O)COC 34a_100138415774_100000183178 [0,1,0,0,0,0|2,0,0]=3 3018 B10R0.1 COCCCNC(=O)COC 527a_100150723488_100000210968 [0,1,0,0,0,0|2,0,0]=3 3019 B10R0.1 COCCCNC(=O)CSC 1626a_100150723488_100000184570 [0,1,0,0,0,0|2,0,0]=3 3020 B10R0.1 COCCCNC(=O)CSC 240690a_100150723488_100000184570 [0,1,0,0,0,0|2,0,0]=3 3021 B10R0.1 COCCCNC(=O)CSC 527a_100150723488_100000184570 [0,1,0,0,0,0|2,0,0]=3 3022 B10R0.1 COCCCNC(=O)CSC 62a_100000183178_200000210301 [0,1,0,0,0,0|2,0,0]=3 3023 B10R0.1 COCCCNC(=O)CS[13CH3] 62a_100000183178_200025704644 [0,1,0,0,0,0|2,0,0]=3 3024 B10R0.1 COCCNCC(=O)NCO 2230a_100000209980_100000185155 [0,1,0,0,0,0|3,0,0]=4 3025 B10R0.1 COCCNNC(=O)CCO 22a_100000741390_100011216618 [0,1,0,0,0,0|3,0,0]=4 3026 B10R0.1 COCCNNC(=O)COC 22a_100000741390_100000210968 [0,1,0,0,0,0|3,0,0]=4 3027 B10R0.1 COCCNNC(=O)CSC 22a_100000741390_100000184570 [0,1,0,0,0,0|3,0,0]=4 3028 B10R0.1 COCCOCC(=O)CC#N 1458a_100000211095_100011214920 [0,1,0,0,0,0|2,0,1]=4 3029 B10R0.1 COCCOCC(=O)CCF 1458a_100000211095_100011217306 [0,1,0,0,0,0|2,0,0]=3 3030 B10R0.1 COCCOCC(=O)CCO 1458a_100000211095_100000211926 [0,1,0,0,0,0|2,0,0]=3 3031 B10R0.1 COCCOCC(=O)NCO 34a_100000210237_100000185155 [0,1,0,0,0,0|3,0,0]=4 3032 B10R0.1 COCCSCC(=O)NCO 62a_100000185155_100000233755 [0,1,0,0,0,0|3,0,0]=4 3033 B10R0.1 COCCSCC(=O)NCO 62a_100000233755_100000185155 [0,1,0,0,0,0|3,0,0]=4 3034 B10R0.1 COCN(C)CCCCCO 2230a_100000722520_100000766300 [0,1,0,0,0,0|3,0,0]=4 3035 B10R0.1 COCN(C)CCCCCO 269982a_100000722520_100000766300 [0,1,0,0,0,0|3,0,0]=4 3036 B10R0.1 CSCC(=O)CCCCC#N 1458a_100000184570_100000211819 [0,1,0,0,0,0|1,0,1]=3 3037 B10R0.1 CSCC(=O)CCCCCF 1458a_100000184570_100000729378 [0,1,0,0,0,0|1,0,0]=2 3038 B10R0.1 CSCC(=O)CCCCCO 1458a_100000184570_100000746330 [0,1,0,0,0,0|1,0,0]=2 3039 B10R0.1 CSCC(=O)CCOCC#N 1458a_100000184570_200000047693 [0,1,0,0,0,0|2,0,1]=4 3040 B10R0.1 CSCC(=O)CCOCCO 1458a_100000184570_100011215305 [0,1,0,0,0,0|2,0,0]=3 3041 B10R0.1 CSCC(=O)NCCCCO 240690a_100000750430_100000184570 [0,1,0,0,0,0|2,0,0]=3 3042 B10R0.1 CSCC(=O)NCCCCO 527a_100000750430_100000184570 [0,1,0,0,0,0|2,0,0]=3 3043 B10R0.1 CSCCCNC(=O)CC#N 1626a_100000749238_100051588842 [0,1,0,0,0,0|2,0,1]=4 3044 B10R0.1 CSCCCNC(=O)CC#N 240690a_100000749238_100051588842 [0,1,0,0,0,0|2,0,1]=4 3045 B10R0.1 CSCCCNC(=O)CCO 240690a_100000749238_100011216618 [0,1,0,0,0,0|2,0,0]=3 3046 B10R0.1 CSCCCNC(=O)CSC 11a_100000749238_100000184570 [0,1,0,0,0,0|2,0,0]=3 3047 B10R0.1 CSCCCNC(=O)CSC 1626a_100000749238_100000184570 [0,1,0,0,0,0|2,0,0]=3 3048 B10R0.1 CSCCCNC(=O)CSC 240690a_100000749238_100000184570 [0,1,0,0,0,0|2,0,0]=3 3049 B10R0.1 CSCCCNC(=O)CSC 527a_100000749238_100000184570 [0,1,0,0,0,0|2,0,0]=3 3050 B10R0.1 CSCCNCC(=O)NCO 2230a_100020590264_100000185155 [0,1,0,0,0,0|3,0,0]=4 3051 B10R0.1 CSCCOCC(=O)NCO 34a_100000230434_100000185155 [0,1,0,0,0,0|3,0,0]=4 3052 B10R0.1 CSCCOCC(=O)NCO 7a_100000230434_100000185155 [0,1,0,0,0,0|3,0,0]=4 3053 B10R0.1 CSCCSCC(=O)NCO 62a_100000185155_100000751147 [0,1,0,0,0,0|3,0,0]=4 3054 B10R0.1 CSCCSCC(=O)NCO 62a_100000212216_100000185155 [0,1,0,0,0,0|3,0,0]=4 3055 B10R0.1 CSCN(C)CCCCCO 2230a_100000722520_100011218213 [0,1,0,0,0,0|3,0,0]=4 3056 B10R0.1 CSCN(C)CCCCCO 269982a_100000722520_100011218213 [0,1,0,0,0,0|3,0,0]=4 3057 B10R0.1 N#CCC(=O)CCCCCF 1458a_100051588842_100000729378 [0,1,0,0,0,0|1,0,1]=3 3058 B10R0.1 N#CCC(=O)CCCCCO 1458a_100051588842_100000746330 [0,1,0,0,0,0|1,0,1]=3 3059 B10R0.1 N#CCC(=O)CCCCCO 1458a_100102619762_100011214920 [0,1,0,0,0,0|1,0,1]=3 3060 B10R0.1 N#CCC(=O)CCOCCO 1458a_100011229844_100011214920 [0,1,0,0,0,0|2,0,1]=4 3061 B10R0.1 N#CCC(=O)CCOCCO 1458a_100051588842_100011215305 [0,1,0,0,0,0|2,0,1]=4 3062 B10R0.1 N#CCC(=O)NCCCCO 240690a_100000750430_100051588842 [0,1,0,0,0,0|2,0,1]=4 3063 B10R0.1 N#CCCCCC(=O)CC#N 1458a_100051588842_100000211819 [0,1,0,0,0,0|1,0,2]=4 3064 B10R0.1 N#CCCCCC(=O)CCO 1458a_100011216618_100000211819 [0,1,0,0,0,0|1,0,1]=3 3065 B10R0.1 N#CCOCCC(=O)CCO 1458a_100011216618_200000047693 [0,1,0,0,0,0|2,0,1]=4 3066 B10R0.1 NCCCOCC(=O)NCO 34a_100000182051_100000185155 [0,1,0,0,0,0|3,0,0]=4 3067 B10R0.1 O=C(C=CBr)CCCCCF 1458a_100016273825_100000729378 [0,1,0,0,0,0|1,0,2]=4 3068 B10R0.1 O=C(C=CBr)CCCCCO 1458a_100016273825_100000746330 [0,1,0,0,0,0|1,0,2]=4 3069 B10R0.1 O=C(C=CCl)CCCCCF 1458a_200016279998_100000729378 [0,1,0,0,0,0|1,0,2]=4 3070 B10R0.1 O=C(C=CCl)CCCCCO 1458a_200016279998_100000746330 [0,1,0,0,0,0|1,0,2]=4 3071 B10R0.1 O=C(C=CI)CCCCCF 1458a_100016256311_100000729378 [0,1,0,0,0,0|1,0,2]=4 3072 B10R0.1 O=C(C=CI)CCCCCO 1458a_100016256311_100000746330 [0,1,0,0,0,0|1,0,2]=4 3073 B10R0.1 O=C(CCF)CCCCCO 1458a_100102619762_100011217306 [0,1,0,0,0,0|1,0,0]=2 3074 B10R0.1 O=C(CCF)CCOCCO 1458a_100011229844_100011217306 [0,1,0,0,0,0|2,0,0]=3 3075 B10R0.1 O=C(CCO)CCCCCF 1458a_100011216618_100000729378 [0,1,0,0,0,0|1,0,0]=2 3076 B10R0.1 O=C(CCO)CCCCCO 1458a_100011216618_100000746330 [0,1,0,0,0,0|1,0,0]=2 3077 B10R0.1 O=C(CCO)CCCCCO 1458a_100102619762_100000211926 [0,1,0,0,0,0|1,0,0]=2 3078 B10R0.1 O=C(CCO)CCOCCO 1458a_100011216618_100011215305 [0,1,0,0,0,0|2,0,0]=3 3079 B10R0.1 O=C(CCO)CCOCCO 1458a_100011229844_100000211926 [0,1,0,0,0,0|2,0,0]=3 3080 B10R0.1 O=C(CCO)NCCCCO 240690a_100000750430_100011216618 [0,1,0,0,0,0|2,0,0]=3 3081 B10R0.1 O=C(CNCCCF)NCO 2230a_100015189416_100000185155 [0,1,0,0,0,0|3,0,0]=4 3082 B10R0.1 O=C(CNCCCF)NCO 34a_100015189416_100000185155 [0,1,0,0,0,0|3,0,0]=4 3083 B10R0.1 O=C(COCCCBr)NCO 34a_100011217188_100000185155 [0,1,0,0,0,0|3,0,0]=4 3084 B10R0.1 O=C(COCCCCl)NCO 34a_100000230001_100000185155 [0,1,0,0,0,0|3,0,0]=4 3085 B10R0.1 O=C(COCCCF)NCO 34a_100000759539_100000185155 [0,1,0,0,0,0|3,0,0]=4 3086 B10R0.1 O=C(CSCCCF)NCO 62a_100000185155_100011934791 [0,1,0,0,0,0|3,0,0]=4 3087 B10R0.1 O=C(CSCCCF)NCO 62a_100011934791_100000185155 [0,1,0,0,0,0|3,0,0]=4 3088 B10R0.1 O=C(CSCCCO)NCO 62a_100000185155_100011215043 [0,1,0,0,0,0|3,0,0]=4 3089 B10R0.1 O=C(CSCCCO)NCO 62a_100011215043_100000185155 [0,1,0,0,0,0|3,0,0]=4 3090 B10R0.1 [N-]=[N+]=NCCCC(=O)CCF 1458a_100010262590_100011217306 [0,1,0,0,0,0|3,0,0]=4 3091 B10R0.1 [N-]=[N+]=NCCCC(=O)CCO 1458a_100010262590_100000211926 [0,1,0,0,0,0|3,0,0]=4 3092 B10R0.18 C#CCCC(=O)CC(=O)CC 1458a_100000692101_100000747405 [0,1,0,0,0,0|0,0,3]=4 3093 B10R0.18 C=C(CC(=O)CC)OCOC 1458a_100000210414_100000042856 [0,1,0,0,0,0|2,0,1]=4 3094 B10R0.18 C=CC(=O)NC(C)CCCC 1626a_100000126638_100000185746 [0,1,0,0,0,0|1,0,2]=4 3095 B10R0.18 C=CC(=O)NC(C)CCCC 240690a_100000126638_200121576911 [0,1,0,0,0,0|1,0,2]=4 3096 B10R0.18 C=CCCC(=O)CC(=O)CC 1458a_100000749702_100000747405 [0,1,0,0,0,0|0,0,3]=4 3097 B10R0.18 C=CCCN(C)CC(=O)CC 269982a_100020639649_100000747405 [0,1,0,0,0,0|1,0,2]=4 3098 B10R0.18 CC=CCC(=O)CC(=O)CC 1458a_100121576822_100000747405 [0,1,0,0,0,0|0,0,3]=4 3099 B10R0.18 CCC#CC(=O)CC(=O)CC 1458a_100011827653_100000747405 [0,1,0,0,0,0|0,0,3]=4 3100 B10R0.18 CCC(=O)CC(=O)CCC#N 1458a_100011934036_100000747405 [0,1,0,0,0,0|1,0,2]=4 3101 B10R0.18 CCC(=O)CC(=O)CCOC 1458a_100000749529_100000747405 [0,1,0,0,0,0|1,0,1]=3 3102 B10R0.18 CCC(=O)CC(=O)CCSC 1458a_100000174002_100000747405 [0,1,0,0,0,0|1,0,1]=3 3103 B10R0.18 CCC(=O)CN(C)CCCO 269982a_100000213112_100000747405 [0,1,0,0,0,0|2,0,0]=3 3104 B10R0.18 CCC(=O)CN(C)CCOC 269982a_100000743101_100000747405 [0,1,0,0,0,0|2,0,0]=3 3105 B10R0.18 CCC(=O)CN(C)CCSC 269982a_100000686725_100000747405 [0,1,0,0,0,0|2,0,0]=3 3106 B10R0.18 CCC=CC(=O)CC(=O)CC 1458a_100000212282_100000747405 [0,1,0,0,0,0|0,0,3]=4 3107 B10R0.18 CCCCC(=O)C=C(C)CC 1458a_100020758463_100000210211 [0,1,0,0,0,0|1,0,2]=4 3108 B10R0.18 CCCCC(=O)CC(=O)CC 1458a_100000210183_100000747405 [0,1,0,0,0,0|0,0,1]=2 3109 B10R0.18 CCCCC(=O)CC(=O)NC 1458a_100000210183_100000183359 [0,1,0,0,0,0|1,0,1]=3 3110 B10R0.18 CCCCC(=O)CC(=O)OC 1458a_100000210183_100000747449 [0,1,0,0,0,0|1,0,1]=3 3111 B10R0.18 CCCCC(=O)CC(=O)OC 1458a_100000211351_100000210211 [0,1,0,0,0,0|1,0,1]=3 3112 B10R0.18 CCCCC(=O)CC(C)CC 1458a_100000210183_100000748023 [0,1,0,0,0,0|1,0,2]=4 3113 B10R0.18 CCCCC(=O)CC(C)CC 1458a_100000708755_100000210211 [0,1,0,0,0,0|1,0,2]=4 3114 B10R0.18 CCCCC(=O)CC(O)CC 1458a_100000210183_100011218378 [0,1,0,0,0,0|0,0,3]=4 3115 B10R0.18 CCCCC(=O)CC(O)CC 1458a_100011667805_100000210211 [0,1,0,0,0,0|0,0,3]=4 3116 B10R0.18 CCCCC(=O)CN(C)CC 1458a_100116209913_100000210211 [0,1,0,0,0,0|2,0,1]=4 3117 B10R0.18 CCCCC(=O)C[C@@H](C)CC 1458a_100000210183_100009816398 [0,1,0,0,0,0|1,0,2]=4 3118 B10R0.18 CCCCC(C)NC(=O)CC 11a_100000126638_100000210414 [0,1,0,0,0,0|1,0,0]=2 3119 B10R0.18 CCCCC(C)NC(=O)CC 1626a_100000126638_100000210414 [0,1,0,0,0,0|1,0,0]=2 3120 B10R0.18 CCCCC(C)NC(=O)CC 240690a_100000126638_100000210414 [0,1,0,0,0,0|1,0,0]=2 3121 B10R0.18 CCCCC(C)NC(=O)CC 527a_100000126638_100000210414 [0,1,0,0,0,0|1,0,0]=2 3122 B10R0.18 CCCCC(C)NC(=O)CO 240690a_100000126638_100000210174 [0,1,0,0,0,0|2,0,0]=3 3123 B10R0.18 CCCCC(C)NC(=O)CO 527a_100000126638_100000210174 [0,1,0,0,0,0|2,0,0]=3 3124 B10R0.18 CCCCC(C)NC(=O)NC 2708a_100000126638_106832991635 [0,1,0,0,0,0|2,0,0]=3 3125 B10R0.18 CCCCC(C)NC(=O)NC 2708a_100102657272_100000126638 [0,1,0,0,0,0|2,0,0]=3 3126 B10R0.18 CCCCC(C)NC(=O)NC 273464a_100000126638_100102657272 [0,1,0,0,0,0|2,0,0]=3 3127 B10R0.18 CCCCC(C)NC(=O)NC 273464a_100102657272_100000126638 [0,1,0,0,0,0|2,0,0]=3 3128 B10R0.18 CCCCC(C)NC(=O)NC 512a_100000126638_100102657272 [0,1,0,0,0,0|2,0,0]=3 3129 B10R0.18 CCCCC(C)NC(=O)NC 512a_106832991638_100000126638 [0,1,0,0,0,0|2,0,0]=3 3130 B10R0.18 CCCCC(C)NC(C)CC 2230a_100000126638_100000758301 [0,1,0,0,0,0|2,0,1]=4 3131 B10R0.18 CCCCC(C)NC(C)CC 2230a_100000209981_200011215066 [0,1,0,0,0,0|2,0,1]=4 3132 B10R0.18 CCCCC(C)NC(C)CC 270004a_100000209981_100000210087 [0,1,0,0,0,0|2,0,1]=4 3133 B10R0.18 CCCCC(C)OC(C)CC 34a_100000687866_100011215416 [0,1,0,0,0,0|2,0,1]=4 3134 B10R0.18 CCCCC(C)OC(C)CC 7a_100000210228_200011215066 [0,1,0,0,0,0|2,0,1]=4 3135 B10R0.18 CCCCC(C)OC(C)CC 7a_100000687866_100000758301 [0,1,0,0,0,0|2,0,1]=4 3136 B10R0.18 CCCCC(C)SC(C)CC 62a_100000758301_200011215066 [0,1,0,0,0,0|2,0,1]=4 3137 B10R0.18 CCCCC(C)SC(C)CC 62a_200011215066_100000758301 [0,1,0,0,0,0|2,0,1]=4 3138 B10R0.18 CCCCN(C)CC(=O)CC 269982a_100000207549_100000747405 [0,1,0,0,0,0|1,0,0]=2 3139 B10R0.18 CCCCN(C)CC(=O)NC 2230a_100000189611_100000210211 [0,1,0,0,0,0|2,0,0]=3 3140 B10R0.18 CCCCN(C)CC(=O)NC 2230a_100000207549_100000183359 [0,1,0,0,0,0|2,0,0]=3 3141 B10R0.18 CCCCN(C)CC(=O)NC 269982a_100000207549_100000183359 [0,1,0,0,0,0|2,0,0]=3 3142 B10R0.18 CCCCN(C)CC(=O)OC 2230a_100000198492_100000210211 [0,1,0,0,0,0|2,0,0]=3 3143 B10R0.18 CCCCN(C)CC(=O)OC 2230a_100000207549_100000747449 [0,1,0,0,0,0|2,0,0]=3 3144 B10R0.18 CCCCN(C)CC(=O)OC 269982a_100000207549_100000747449 [0,1,0,0,0,0|2,0,0]=3 3145 B10R0.18 CCCCN(C)CC(C)CC 2230a_100000207549_100000748023 [0,1,0,0,0,0|2,0,1]=4 3146 B10R0.18 CCCCN(C)CC(C)CC 2230a_100000753921_100000210211 [0,1,0,0,0,0|2,0,1]=4 3147 B10R0.18 CCCCN(C)CC(C)CC 269982a_100000207549_100000748023 [0,1,0,0,0,0|2,0,1]=4 3148 B10R0.18 CCCCN(C)CC(C)CC 269982a_100000753921_100000210211 [0,1,0,0,0,0|2,0,1]=4 3149 B10R0.18 CCCCN(C)CC(C)CC 270004a_100000207549_100000243153 [0,1,0,0,0,0|2,0,1]=4 3150 B10R0.18 CCCCN(C)CC(O)CC 2230a_100000207549_100011218378 [0,1,0,0,0,0|1,0,2]=4 3151 B10R0.18 CCCCN(C)CC(O)CC 269982a_100000207549_100011218378 [0,1,0,0,0,0|1,0,2]=4 3152 B10R0.18 CCCCN(C)C[C@@H](C)CC 2230a_100000207549_100009816398 [0,1,0,0,0,0|2,0,1]=4 3153 B10R0.18 CCCCN(C)C[C@@H](C)CC 269982a_100000207549_100009816398 [0,1,0,0,0,0|2,0,1]=4 3154 B10R0.18 CCCNC(=O)CC(=O)CC 1458a_100000210414_100000183358 [0,1,0,0,0,0|1,0,1]=3 3155 B10R0.18 CCCNC(=O)CC(=O)CO 1458a_100000210174_100000183358 [0,1,0,0,0,0|2,0,1]=4 3156 B10R0.18 CCCNC(=O)CC(=O)OC 240690a_100020643023_100000211351 [0,1,0,0,0,0|2,0,1]=4 3157 B10R0.18 CCCNC(C)CC(C)CC 2230a_100000763565_100000210303 [0,1,0,0,0,0|2,0,1]=4 3158 B10R0.18 CCCNC(C)CC(C)CC 270004a_100020643023_100011710205 [0,1,0,0,0,0|2,0,1]=4 3159 B10R0.18 CCCOC(=O)CC(=O)CC 1458a_100000210414_200011215008 [0,1,0,0,0,0|1,0,1]=3 3160 B10R0.18 CCCOC(=O)CC(=O)CO 1458a_100000210174_200011215008 [0,1,0,0,0,0|2,0,1]=4 3161 B10R0.18 CCCOC(C)CC(=O)OC 34a_100000210258_100009817358 [0,1,0,0,0,0|2,0,0]=3 3162 B10R0.18 CCCSC(C)CC(=O)OC 62a_100000210303_100009817358 [0,1,0,0,0,0|2,0,0]=3 3163 B10R0.18 CCCSC(C)CC(=O)OC 62a_100009817358_100000210303 [0,1,0,0,0,0|2,0,0]=3 3164 B10R0.18 CCOCC(=O)CC(=O)CC 1458a_100000211967_100000747405 [0,1,0,0,0,0|1,0,1]=3 3165 B10R0.18 CCOCC(=O)CC(=O)NC 1458a_100000211967_100000183359 [0,1,0,0,0,0|2,0,1]=4 3166 B10R0.18 CCOCC(=O)CC(=O)OC 1458a_100000211967_100000747449 [0,1,0,0,0,0|2,0,1]=4 3167 B10R0.18 CCOC[C@H](O)CC(=O)OC 34a_100121572206_100000754131 [0,1,0,0,0,0|2,0,0]=3 3168 B10R0.18 CCSCC(=O)CC(=O)CC 1458a_100000230394_100000747405 [0,1,0,0,0,0|1,0,1]=3 3169 B10R0.18 CCSCC(=O)CC(=O)NC 1458a_100000230394_100000183359 [0,1,0,0,0,0|2,0,1]=4 3170 B10R0.18 CCSCC(=O)CC(=O)OC 1458a_100000230394_100000747449 [0,1,0,0,0,0|2,0,1]=4 3171 B10R0.18 CCSCC(=O)CC(=O)OC 62a_100000210202_100000210525 [0,1,0,0,0,0|2,0,1]=4 3172 B10R0.18 CCSCC(=O)CC(=O)OC 62a_100000210525_100000210202 [0,1,0,0,0,0|2,0,1]=4 3173 B10R0.18 CCSC[C@H](O)CC(=O)OC 62a_100000210202_100000754131 [0,1,0,0,0,0|2,0,0]=3 3174 B10R0.18 CCSC[C@H](O)CC(=O)OC 62a_100000754131_100000210202 [0,1,0,0,0,0|2,0,0]=3 3175 B10R0.18 CNC(=O)CC(=O)CCOC 1458a_100000749529_100000183359 [0,1,0,0,0,0|2,0,1]=4 3176 B10R0.18 CNC(=O)CC(=O)CCSC 1458a_100000174002_100000183359 [0,1,0,0,0,0|2,0,1]=4 3177 B10R0.18 CNC(=O)CN(C)CCCF 2230a_100000189611_100011934791 [0,1,0,0,0,0|3,0,0]=4 3178 B10R0.18 CNC(=O)CN(C)CCCO 2230a_100000189611_100000230001 [0,1,0,0,0,0|3,0,0]=4 3179 B10R0.18 CNC(=O)CN(C)CCCO 2230a_100000213112_100000183359 [0,1,0,0,0,0|3,0,0]=4 3180 B10R0.18 CNC(=O)CN(C)CCCO 269982a_100000213112_100000183359 [0,1,0,0,0,0|3,0,0]=4 3181 B10R0.18 CNC(=O)CN(C)CCOC 2230a_100000189611_100011201679 [0,1,0,0,0,0|3,0,0]=4 3182 B10R0.18 CNC(=O)CN(C)CCOC 2230a_100000743101_100000183359 [0,1,0,0,0,0|3,0,0]=4 3183 B10R0.18 CNC(=O)CN(C)CCOC 240690a_100102657272_100015184299 [0,1,0,0,0,0|3,0,0]=4 3184 B10R0.18 CNC(=O)CN(C)CCOC 269982a_100000743101_100000183359 [0,1,0,0,0,0|3,0,0]=4 3185 B10R0.18 CNC(=O)CN(C)CCOC 527a_100102657272_100015184299 [0,1,0,0,0,0|3,0,0]=4 3186 B10R0.18 CNC(=O)CN(C)CCSC 2230a_100000189611_100000751147 [0,1,0,0,0,0|3,0,0]=4 3187 B10R0.18 CNC(=O)CN(C)CCSC 2230a_100000686725_100000183359 [0,1,0,0,0,0|3,0,0]=4 3188 B10R0.18 CNC(=O)CN(C)CCSC 269982a_100000686725_100000183359 [0,1,0,0,0,0|3,0,0]=4 3189 B10R0.18 COC(=O)CC(=O)CCCF 1458a_100000211351_100011934791 [0,1,0,0,0,0|2,0,1]=4 3190 B10R0.18 COC(=O)CC(=O)CCCO 1458a_100000211351_100011215043 [0,1,0,0,0,0|2,0,1]=4 3191 B10R0.18 COC(=O)CC(=O)CCSC 1458a_100000174002_100000747449 [0,1,0,0,0,0|2,0,1]=4 3192 B10R0.18 COC(=O)CC(=O)CCSC 1458a_100000211351_100000751147 [0,1,0,0,0,0|2,0,1]=4 3193 B10R0.18 COC(=O)CC(C)NCCF 34a_100000724931_100009817358 [0,1,0,0,0,0|3,0,0]=4 3194 B10R0.18 COC(=O)CC(C)NCCO 2230a_100016997473_100009817358 [0,1,0,0,0,0|3,0,0]=4 3195 B10R0.18 COC(=O)CC(C)NCCO 34a_100016990907_100009817358 [0,1,0,0,0,0|3,0,0]=4 3196 B10R0.18 COC(=O)CC(C)OCCBr 34a_100000211926_100009817358 [0,1,0,0,0,0|3,0,0]=4 3197 B10R0.18 COC(=O)CC(C)OCCN 34a_100000210304_100009817358 [0,1,0,0,0,0|3,0,0]=4 3198 B10R0.18 COC(=O)CC(C)SCCF 62a_100009817358_100011217306 [0,1,0,0,0,0|3,0,0]=4 3199 B10R0.18 COC(=O)CC(C)SCCF 62a_100011217306_100009817358 [0,1,0,0,0,0|3,0,0]=4 3200 B10R0.18 COC(=O)CC(C)SCCO 62a_100000211926_100009817358 [0,1,0,0,0,0|3,0,0]=4 3201 B10R0.18 COC(=O)CC(C)SCCO 62a_100009817358_100000211926 [0,1,0,0,0,0|3,0,0]=4 3202 B10R0.18 COC(=O)CC(C)SCSC 62a_100009817358_100011218213 [0,1,0,0,0,0|3,0,0]=4 3203 B10R0.18 COC(=O)CC(C)SCSC 62a_100011218213_100009817358 [0,1,0,0,0,0|3,0,0]=4 3204 B10R0.18 COC(=O)CN(C)CCCF 2230a_100000198492_100011934791 [0,1,0,0,0,0|3,0,0]=4 3205 B10R0.18 COC(=O)CN(C)CCCO 2230a_100000198492_100000230001 [0,1,0,0,0,0|3,0,0]=4 3206 B10R0.18 COC(=O)CN(C)CCCO 2230a_100000213112_100000747449 [0,1,0,0,0,0|3,0,0]=4 3207 B10R0.18 COC(=O)CN(C)CCCO 269982a_100000213112_100000747449 [0,1,0,0,0,0|3,0,0]=4 3208 B10R0.18 COC(=O)CN(C)CCSC 2230a_100000198492_100000751147 [0,1,0,0,0,0|3,0,0]=4 3209 B10R0.18 COC(=O)CN(C)CCSC 2230a_100000686725_100000747449 [0,1,0,0,0,0|3,0,0]=4 3210 B10R0.18 COC(=O)CN(C)CCSC 269982a_100000686725_100000747449 [0,1,0,0,0,0|3,0,0]=4 3211 B10R0.18 COC(=O)C[C@@H](O)CSCF 62a_100000754131_100015361967 [0,1,0,0,0,0|3,0,0]=4 3212 B10R0.18 COC(=O)C[C@@H](O)CSCF 62a_100015361967_100000754131 [0,1,0,0,0,0|3,0,0]=4 3213 B10R0.18 COCCC(=O)CC(=O)OC 1458a_100000211351_100000233755 [0,1,0,0,0,0|2,0,1]=4 3214 B10R0.18 COCCC(=O)CC(=O)OC 1458a_100000749529_100000747449 [0,1,0,0,0,0|2,0,1]=4 3215 B10R0.18 COCCN(C)CC(=O)OC 2230a_100000198492_100011201679 [0,1,0,0,0,0|3,0,0]=4 3216 B10R0.18 COCCN(C)CC(=O)OC 2230a_100000743101_100000747449 [0,1,0,0,0,0|3,0,0]=4 3217 B10R0.18 COCCN(C)CC(=O)OC 269982a_100000743101_100000747449 [0,1,0,0,0,0|3,0,0]=4 3218 B10R0.18 COCSC(C)CC(=O)OC 62a_100000766300_100009817358 [0,1,0,0,0,0|3,0,0]=4 3219 B10R0.18 COCSC(C)CC(=O)OC 62a_100009817358_100000766300 [0,1,0,0,0,0|3,0,0]=4 3220 B10R0.41 C#CC(CC)OCCCCC 34a_100000758843_100000718602 [0,1,0,0,0,0|2,0,1]=4 3221 B10R0.41 C#CC(CC)OCCCCC 7a_100000758843_100000210326 [0,1,0,0,0,0|2,0,1]=4 3222 B10R0.41 C=CC(=NNCCCC)CC 4a_100025702795_100000747743 [0,1,0,0,0,0|3,0,0]=4 3223 B10R0.41 C=CC(CC)OCCCCC 34a_100000766422_100000718602 [0,1,0,0,0,0|2,0,1]=4 3224 B10R0.41 C=CC(CC)OCCCCC 7a_100000766422_100000210326 [0,1,0,0,0,0|2,0,1]=4 3225 B10R0.41 C=CC(CCCCCC)OC 34a_200011215977_200000210301 [0,1,0,0,0,0|2,0,1]=4 3226 B10R0.41 C=CC(CCCCCC)OC 7a_200011215977_200000210301 [0,1,0,0,0,0|2,0,1]=4 3227 B10R0.41 C=CC(CCCCCC)O[13CH3] 34a_200011215977_200025704644 [0,1,0,0,0,0|2,0,1]=4 3228 B10R0.41 C=CC(CCCCCC)O[13CH3] 7a_200011215977_200025704644 [0,1,0,0,0,0|2,0,1]=4 3229 B10R0.41 CCCCCCC(CC)NC 270004a_106832991635_100011219640 [0,1,0,0,0,0|1,0,1]=3 3230 B10R0.41 CCCCCCC(CC)OC 34a_100011215785_200000210301 [0,1,0,0,0,0|0,0,2]=3 3231 B10R0.41 CCCCCCC(CC)OC 7a_100011215785_200000210301 [0,1,0,0,0,0|0,0,2]=3 3232 B10R0.41 CCCCCCC(CC)O[13CH3] 34a_100011215785_200025704644 [0,1,0,0,0,0|0,0,2]=3 3233 B10R0.41 CCCCCCC(CC)O[13CH3] 7a_100011215785_200025704644 [0,1,0,0,0,0|0,0,2]=3 3234 B10R0.41 CCCCCCN(CC)CC 2230a_100000724800_100000210314 [0,1,0,0,0,0|2,0,0]=3 3235 B10R0.41 CCCCCCN(CC)CC 269956a_100000042499_100000210757 [0,1,0,0,0,0|2,0,0]=3 3236 B10R0.41 CCCCCCN(CC)CC 269982a_100000724800_100000210757 [0,1,0,0,0,0|2,0,0]=3 3237 B10R0.41 CCCCCNC(CC)CC 2230a_100000199018_100000210326 [0,1,0,0,0,0|2,0,1]=4 3238 B10R0.41 CCCCCNC(CC)CC 270004a_100000209983_100000210860 [0,1,0,0,0,0|2,0,1]=4 3239 B10R0.41 CCCCCN[C@@H](CC)CO 2230a_100000709445_100000210326 [0,1,0,0,0,0|1,0,2]=4 3240 B10R0.41 CCCCCOC(CC)CC 7a_100000210253_100000210505 [0,1,0,0,0,0|2,0,1]=4 3241 B10R0.41 CCCCCOC(CC)CC 7a_100000688536_100000210326 [0,1,0,0,0,0|2,0,1]=4 3242 B10R0.41 CCCCCSC(CC)CC 62a_100000210326_100000210505 [0,1,0,0,0,0|2,0,1]=4 3243 B10R0.41 CCCCCSC(CC)CC 62a_100000210505_100000210326 [0,1,0,0,0,0|2,0,1]=4 3244 B10R0.41 CCCCNCC(CC)CC 2230a_100000102301_100011215472 [0,1,0,0,0,0|2,0,1]=4 3245 B10R0.41 CCCCNCC(CC)CC 2230a_100102946423_100000210211 [0,1,0,0,0,0|2,0,1]=4 3246 B10R0.41 CCCCNCC(CC)CC 269862a_100000102301_100000211137 [0,1,0,0,0,0|2,0,1]=4 3247 B10R0.41 CCCCNCC(CC)CC 270004a_100000102301_100000211137 [0,1,0,0,0,0|2,0,1]=4 3248 B10R0.41 CCCCNCC(CC)CC 7a_106832991798_100011215472 [0,1,0,0,0,0|2,0,1]=4 3249 B10R0.41 CCCCNN=C(CC)CC 4a_100025702795_100000210860 [0,1,0,0,0,0|3,0,0]=4 3250 B10R0.41 CCCCNN=C(CC)CO 4a_100025702795_100000725409 [0,1,0,0,0,0|2,0,1]=4 3251 B10R0.41 CCCCOCC(CC)CC 34a_100000210227_100011215472 [0,1,0,0,0,0|2,0,1]=4 3252 B10R0.41 CCCCOCC(CC)CC 7a_100000210227_100011215472 [0,1,0,0,0,0|2,0,1]=4 3253 B10R0.41 CCCCOCC(CC)CC 7a_100000703878_100000210211 [0,1,0,0,0,0|2,0,1]=4 3254 B10R0.41 CCCCOCC(CC)OC 34a_100011934954_100000210210 [0,1,0,0,0,0|1,0,2]=4 3255 B10R0.41 CCCCOCC(CC)OC 7a_100011934954_100000210211 [0,1,0,0,0,0|1,0,2]=4 3256 B10R0.41 CCCCOCN(CC)CC 2230a_100000724800_100011995733 [0,1,0,0,0,0|3,0,0]=4 3257 B10R0.41 CCCCOCN(CC)CC 269956a_100000042499_100011995733 [0,1,0,0,0,0|3,0,0]=4 3258 B10R0.41 CCCCOCN(CC)CC 269982a_100000724800_100011995733 [0,1,0,0,0,0|3,0,0]=4 3259 B10R0.41 CCCCOCN(CC)CC 7a_200015374951_100000210211 [0,1,0,0,0,0|3,0,0]=4 3260 B10R0.41 CCCCSCC(CC)CC 62a_100000210211_100011215472 [0,1,0,0,0,0|2,0,1]=4 3261 B10R0.41 CCCCSCC(CC)CC 62a_100011215472_100000210210 [0,1,0,0,0,0|2,0,1]=4 3262 B10R0.41 CCCNCCN(CC)CC 2230a_100015382049_100000210303 [0,1,0,0,0,0|3,0,0]=4 3263 B10R0.41 CCCOCCN(CC)CC 2230a_100000724800_100011215938 [0,1,0,0,0,0|3,0,0]=4 3264 B10R0.41 CCCOCCN(CC)CC 269956a_100000042499_100011215938 [0,1,0,0,0,0|3,0,0]=4 3265 B10R0.41 CCCOCCN(CC)CC 269982a_100000724800_100011215938 [0,1,0,0,0,0|3,0,0]=4 3266 B10R0.41 CCCOCCN(CC)CC 7a_100016990331_100000210303 [0,1,0,0,0,0|3,0,0]=4 3267 B10R0.41 CCCSCCN(CC)CC 62a_100000210303_100000700428 [0,1,0,0,0,0|3,0,0]=4 3268 B10R0.41 CCN(CC)CCCCCF 2230a_100000724800_100000729378 [0,1,0,0,0,0|3,0,0]=4 3269 B10R0.41 CCN(CC)CCCCCF 269956a_100000042499_100000729378 [0,1,0,0,0,0|3,0,0]=4 3270 B10R0.41 CCN(CC)CCCCCF 269982a_100000724800_100000729378 [0,1,0,0,0,0|3,0,0]=4 3271 B10R0.41 CCN(CC)CCCCCO 2230a_100000724800_100000746330 [0,1,0,0,0,0|3,0,0]=4 3272 B10R0.41 CCN(CC)CCCCCO 269956a_100000042499_100000746330 [0,1,0,0,0,0|3,0,0]=4 3273 B10R0.41 CCN(CC)CCCCCO 269982a_100000724800_100000746330 [0,1,0,0,0,0|3,0,0]=4 3274 B10R0.41 CCN(CC)CCCCNC 2230a_100000743895_200000210301 [0,1,0,0,0,0|3,0,0]=4 3275 B10R0.41 CCN(CC)CCCCN[13CH3] 2230a_100000743895_200025704644 [0,1,0,0,0,0|3,0,0]=4 3276 B10R0.41 CCN(CC)CCCCOC 2230a_100000724800_100000730899 [0,1,0,0,0,0|3,0,0]=4 3277 B10R0.41 CCN(CC)CCCCOC 269956a_100000042499_100000730899 [0,1,0,0,0,0|3,0,0]=4 3278 B10R0.41 CCN(CC)CCCCOC 269982a_100000724800_100000730899 [0,1,0,0,0,0|3,0,0]=4 3279 B10R0.41 CCN(CC)CCCCOC 7a_100011305530_200000210301 [0,1,0,0,0,0|3,0,0]=4 3280 B10R0.41 CCN(CC)CCCCO[13CH3] 7a_100011305530_200025704644 [0,1,0,0,0,0|3,0,0]=4 3281 B10R0.41 CCN(CCCCOC)N=O 34a_200000035056_200000210301 [0,1,0,0,0,0|2,0,0]=3 3282 B10R0.41 CCN(CCCCO[13CH3])N=O 34a_200000035056_200025704644 [0,1,0,0,0,0|2,0,0]=3 3283 B10R0.41 CCNCCCN(CC)CC 2230a_100015525214_100000709985 [0,1,0,0,0,0|3,0,0]=4 3284 B10R0.41 CCOCCCN(CC)CC 2230a_100000724800_100012232248 [0,1,0,0,0,0|3,0,0]=4 3285 B10R0.41 CCOCCCN(CC)CC 269956a_100000042499_100012232248 [0,1,0,0,0,0|3,0,0]=4 3286 B10R0.41 CCOCCCN(CC)CC 269982a_100000724800_100012232248 [0,1,0,0,0,0|3,0,0]=4 3287 B10R0.41 CCOCCCN(CC)CC 7a_100000212844_100000210202 [0,1,0,0,0,0|3,0,0]=4 3288 B10R0.41 CCSCCCN(CC)CC 62a_100000210202_100000709985 [0,1,0,0,0,0|3,0,0]=4 3289 B10R0.55 C#CC(=O)CCCCC(=O)C 1458a_100000211873_100000735457 [0,1,0,0,0,0|0,0,3]=4 3290 B10R0.55 C#CC(=O)CCCCC(C)C 1458a_100000211873_100011216152 [0,1,0,0,0,0|0,0,2]=3 3291 B10R0.55 C=C(C)CCNCC(=O)NC 2230a_100000693194_100000730704 [0,1,0,0,0,0|2,0,1]=4 3292 B10R0.55 C=C(C)CCOCC(=O)CC 34a_100000725409_100000730704 [0,1,0,0,0,0|1,0,1]=3 3293 B10R0.55 C=C(C)CCOCC(=O)NC 34a_100000750040_100000730704 [0,1,0,0,0,0|2,0,1]=4 3294 B10R0.55 C=C(C)CCOCC(=O)NC 34a_100000764851_100000183359 [0,1,0,0,0,0|2,0,1]=4 3295 B10R0.55 C=C(C)CCOCC(=O)OC 34a_100000764851_100000747449 [0,1,0,0,0,0|2,0,1]=4 3296 B10R0.55 C=C(C)CCSCC(=O)CC 62a_100000730704_100000747405 [0,1,0,0,0,0|1,0,1]=3 3297 B10R0.55 C=C(C)CCSCC(=O)CC 62a_100000747405_100000730704 [0,1,0,0,0,0|1,0,1]=3 3298 B10R0.55 C=C(C)CCSCC(=O)NC 62a_100000183359_100000730704 [0,1,0,0,0,0|2,0,1]=4 3299 B10R0.55 C=C(C)CCSCC(=O)NC 62a_100000730704_100000183359 [0,1,0,0,0,0|2,0,1]=4 3300 B10R0.55 C=C(C)CCSCC(=O)OC 62a_100000730704_100000747449 [0,1,0,0,0,0|2,0,1]=4 3301 B10R0.55 C=C(C)CCSCC(=O)OC 62a_100000747449_100000730704 [0,1,0,0,0,0|2,0,1]=4 3302 B10R0.55 C=C(C)CNCCC(=O)NC 2230a_100000738227_100000748629 [0,1,0,0,0,0|2,0,1]=4 3303 B10R0.55 C=C(C)CNCCC(=O)NC 34a_100000738227_100000748629 [0,1,0,0,0,0|2,0,1]=4 3304 B10R0.55 C=C(C)COCCC(=O)NC 34a_100000210245_100012179268 [0,1,0,0,0,0|2,0,1]=4 3305 B10R0.55 C=C(C)COCCC(=O)NC 34a_100000754576_100000748629 [0,1,0,0,0,0|2,0,1]=4 3306 B10R0.55 C=C(C)COCCC(=O)OC 34a_100000210245_100000742370 [0,1,0,0,0,0|2,0,1]=4 3307 B10R0.55 C=C(C)CSCCC(=O)NC 62a_100000737683_100000211660 [0,1,0,0,0,0|2,0,1]=4 3308 B10R0.55 C=C(C)CSCCC(=O)NC 62a_100000748629_100000737683 [0,1,0,0,0,0|2,0,1]=4 3309 B10R0.55 C=C(C)CSCCC(=O)OC 62a_100000204255_100000211660 [0,1,0,0,0,0|2,0,1]=4 3310 B10R0.55 C=C(C)CSCCC(=O)OC 62a_100000748629_100000204255 [0,1,0,0,0,0|2,0,1]=4 3311 B10R0.55 C=CC(=O)CCCCC(=O)C 1458a_100000185746_100000735457 [0,1,0,0,0,0|0,0,3]=4 3312 B10R0.55 C=CC(=O)CCCCC(C)C 1458a_100000185746_100011216152 [0,1,0,0,0,0|0,0,2]=3 3313 B10R0.55 C=CC(=O)NCCCC(C)C 1626a_200000737386_100000185746 [0,1,0,0,0,0|1,0,2]=4 3314 B10R0.55 C=CC(=O)NCCCC(C)C 240690a_200000737386_200121576911 [0,1,0,0,0,0|1,0,2]=4 3315 B10R0.55 CC(=O)CCCCC(=O)CO 1458a_100000210174_100000735457 [0,1,0,0,0,0|1,0,1]=3 3316 B10R0.55 CC(=O)NCCCC(=O)CF 1458a_100000194741_100015361967 [0,1,0,0,0,0|2,0,1]=4 3317 B10R0.55 CC(=O)OCCCC(=O)CO 1458a_100000210174_100000042594 [0,1,0,0,0,0|2,0,1]=4 3318 B10R0.55 CC(=O)SCCCC(=O)CO 1458a_100000210174_100000038929 [0,1,0,0,0,0|2,0,1]=4 3319 B10R0.55 CC(=S)OCCCC(=O)CO 1458a_100000210174_200135323944 [0,1,0,0,0,0|2,0,1]=4 3320 B10R0.55 CC(C)CCCCC(=O)CF 1458a_100011933920_100015361967 [0,1,0,0,0,0|1,0,0]=2 3321 B10R0.55 CC(C)CCCCC(=O)CO 1458a_100000210174_100011216152 [0,1,0,0,0,0|1,0,0]=2 3322 B10R0.55 CC(C)CCCNC(=O)CO 240690a_200000737386_100000210174 [0,1,0,0,0,0|2,0,0]=3 3323 B10R0.55 CC(C)CCCNC(=O)CO 527a_200000737386_100000210174 [0,1,0,0,0,0|2,0,0]=3 3324 B10R0.55 CC(C)OCCCC(=O)NN 34a_100000211488_100000210206 [0,1,0,0,0,0|3,0,0]=4 3325 B10R0.55 CC(C)OCCNC(=O)CO 240690a_100000701111_100000210174 [0,1,0,0,0,0|3,0,0]=4 3326 B10R0.55 CC(C)OCCNC(=O)CO 527a_100000701111_100000210174 [0,1,0,0,0,0|3,0,0]=4 3327 B10R0.55 CC(C)SCCNC(=O)CO 240690a_100000731138_100000210174 [0,1,0,0,0,0|3,0,0]=4 3328 B10R0.55 CC(C)SCCNC(=O)CO 527a_100000731138_100000210174 [0,1,0,0,0,0|3,0,0]=4 3329 B10R0.55 CCC(=O)CCCCB(O)O 1458a_100000210414_200009817182 [0,1,0,0,0,0|2,0,0]=3 3330 B10R0.55 CCC(=O)CCCCC(=O)C 1458a_100000210414_100000735457 [0,1,0,0,0,0|0,0,1]=2 3331 B10R0.55 CCC(=O)CCCCC(C)C 1458a_100000210414_100011216152 [0,1,0,0,0,0|0,0,0]=1 3332 B10R0.55 CCC(=O)CCCCC(C)C 1458a_100011933920_100000210202 [0,1,0,0,0,0|0,0,0]=1 3333 B10R0.55 CCC(=O)CCCN=C(N)N 1458a_100000034108_100000210202 [0,1,0,0,0,0|2,0,1]=4 3334 B10R0.55 CCC(=O)CCCNC(=O)C 1458a_100000194741_100000210202 [0,1,0,0,0,0|1,0,1]=3 3335 B10R0.55 CCC(=O)CCCOC(=O)C 1458a_100000210414_100000042594 [0,1,0,0,0,0|1,0,1]=3 3336 B10R0.55 CCC(=O)CCCOC(=S)C 1458a_100000210414_200135323944 [0,1,0,0,0,0|1,0,1]=3 3337 B10R0.55 CCC(=O)CCCSC(=O)C 1458a_100000210414_100000038929 [0,1,0,0,0,0|1,0,1]=3 3338 B10R0.55 CCC(=O)CCOCC(=O)N 1458a_100000210414_100000076697 [0,1,0,0,0,0|2,0,1]=4 3339 B10R0.55 CCC(=O)CCOCC(F)F 1458a_100000210414_200012177212 [0,1,0,0,0,0|2,0,0]=3 3340 B10R0.55 CCC(=O)CCSCC(=O)N 1458a_100000148550_100000210202 [0,1,0,0,0,0|2,0,1]=4 3341 B10R0.55 CCC(=O)COCC=C(C)C 34a_100000725409_100000761012 [0,1,0,0,0,0|1,0,2]=4 3342 B10R0.55 CCC(=O)COCCC(=O)C 7a_100000759926_100000747405 [0,1,0,0,0,0|1,0,1]=3 3343 B10R0.55 CCC(=O)COCCC(=O)N 34a_100000725409_100000731001 [0,1,0,0,0,0|2,0,1]=4 3344 B10R0.55 CCC(=O)COCCC(=O)N 7a_100000757172_100000747405 [0,1,0,0,0,0|2,0,1]=4 3345 B10R0.55 CCC(=O)COCCC(C)C 34a_100000725409_100000210312 [0,1,0,0,0,0|1,0,0]=2 3346 B10R0.55 CCC(=O)COCCC(C)C 7a_100000210254_100000747405 [0,1,0,0,0,0|1,0,0]=2 3347 B10R0.55 CCC(=O)COCCC(C)O 34a_100000725409_100012276601 [0,1,0,0,0,0|1,0,0]=2 3348 B10R0.55 CCC(=O)COCOC(=O)C 34a_100000725409_100009813279 [0,1,0,0,0,0|2,0,1]=4 3349 B10R0.55 CCC(=O)COCOC(C)C 34a_100000725409_100000709892 [0,1,0,0,0,0|2,0,0]=3 3350 B10R0.55 CCC(=O)CSCC=C(C)C 62a_100000747405_100000761012 [0,1,0,0,0,0|1,0,2]=4 3351 B10R0.55 CCC(=O)CSCC=C(C)C 62a_100000761012_100000747405 [0,1,0,0,0,0|1,0,2]=4 3352 B10R0.55 CCC(=O)CSCCC(=O)C 62a_100000053229_100000747405 [0,1,0,0,0,0|1,0,1]=3 3353 B10R0.55 CCC(=O)CSCCC(=O)C 62a_100000747405_100000053229 [0,1,0,0,0,0|1,0,1]=3 3354 B10R0.55 CCC(=O)CSCCC(=O)N 62a_100000744528_100000747405 [0,1,0,0,0,0|2,0,1]=4 3355 B10R0.55 CCC(=O)CSCCC(=O)N 62a_100000747405_100000744528 [0,1,0,0,0,0|2,0,1]=4 3356 B10R0.55 CCC(=O)CSCCC(C)C 62a_100000210312_100000747405 [0,1,0,0,0,0|1,0,0]=2 3357 B10R0.55 CCC(=O)CSCCC(C)C 62a_100000747405_100000210312 [0,1,0,0,0,0|1,0,0]=2 3358 B10R0.55 CCC(=O)CSCCC(C)O 62a_100000747405_100012276601 [0,1,0,0,0,0|1,0,0]=2 3359 B10R0.55 CCC(=O)CSCCC(C)O 62a_100012276601_100000747405 [0,1,0,0,0,0|1,0,0]=2 3360 B10R0.55 CCC(=O)CSCCN(C)C 62a_100000747405_100000755713 [0,1,0,0,0,0|2,0,0]=3 3361 B10R0.55 CCC(=O)CSCOC(=O)C 62a_100000076356_100000747405 [0,1,0,0,0,0|2,0,1]=4 3362 B10R0.55 CCC(=O)CSCOC(=O)C 62a_100000747405_100000076356 [0,1,0,0,0,0|2,0,1]=4 3363 B10R0.55 CCC(=O)CSCOC(C)C 62a_100000709892_100000747405 [0,1,0,0,0,0|2,0,0]=3 3364 B10R0.55 CCC(=O)CSCOC(C)C 62a_100000747405_100000709892 [0,1,0,0,0,0|2,0,0]=3 3365 B10R0.55 CCC(=O)NCCCC(=O)N 240690a_100000739312_100000210414 [0,1,0,0,0,0|2,0,1]=4 3366 B10R0.55 CCC(=O)NCCCC(=O)N 527a_100000739312_100000210414 [0,1,0,0,0,0|2,0,1]=4 3367 B10R0.55 CCC(=O)NCCCC(C)C 11a_200000737386_100000210414 [0,1,0,0,0,0|1,0,0]=2 3368 B10R0.55 CCC(=O)NCCCC(C)C 1626a_200000737386_100000210414 [0,1,0,0,0,0|1,0,0]=2 3369 B10R0.55 CCC(=O)NCCCC(C)C 240690a_200000737386_100000210414 [0,1,0,0,0,0|1,0,0]=2 3370 B10R0.55 CCC(=O)NCCCC(C)C 527a_200000737386_100000210414 [0,1,0,0,0,0|1,0,0]=2 3371 B10R0.55 CCC(=O)NCCCN(C)C 240690a_102531767803_100000210414 [0,1,0,0,0,0|2,0,0]=3 3372 B10R0.55 CCC(=O)NCCCN(C)C 527a_102531767803_100000210414 [0,1,0,0,0,0|2,0,0]=3 3373 B10R0.55 CCC(=O)NCCCS(=O)C 11a_200000753449_100000210414 [0,1,0,0,0,0|2,0,0]=3 3374 B10R0.55 CCC(=O)NCCCS(=O)C 240690a_200000753449_100000210414 [0,1,0,0,0,0|2,0,0]=3 3375 B10R0.55 CCC(=O)NCCCS(=O)C 527a_200000753449_100000210414 [0,1,0,0,0,0|2,0,0]=3 3376 B10R0.55 CCC(=O)NCCNC(=O)C 11a_100132302217_100015343762 [0,1,0,0,0,0|2,0,1]=4 3377 B10R0.55 CCC(=O)NCCNC(=O)C 1626a_100132302217_100015343762 [0,1,0,0,0,0|2,0,1]=4 3378 B10R0.55 CCC(=O)NCCNC(=O)C 240690a_100000209853_100000210414 [0,1,0,0,0,0|2,0,1]=4 3379 B10R0.55 CCC(=O)NCCNC(=O)C 240690a_100132302217_100015343762 [0,1,0,0,0,0|2,0,1]=4 3380 B10R0.55 CCC(=O)NCCNC(=O)C 527a_100000209853_100000210414 [0,1,0,0,0,0|2,0,1]=4 3381 B10R0.55 CCC(=O)NCCNC(=O)C 527a_100132302217_100103153847 [0,1,0,0,0,0|2,0,1]=4 3382 B10R0.55 CCC(=O)NCCNC(C)C 34a_100132302217_100000210206 [0,1,0,0,0,0|2,0,0]=3 3383 B10R0.55 CCC(=O)NCCOC(=O)C 11a_100000724843_100000210414 [0,1,0,0,0,0|2,0,1]=4 3384 B10R0.55 CCC(=O)NCCOC(=O)C 240690a_100000724843_100000210414 [0,1,0,0,0,0|2,0,1]=4 3385 B10R0.55 CCC(=O)NCCOC(=O)C 527a_100000724843_100000210414 [0,1,0,0,0,0|2,0,1]=4 3386 B10R0.55 CCC(=O)NCCOC(C)C 11a_100000701111_100000210414 [0,1,0,0,0,0|2,0,0]=3 3387 B10R0.55 CCC(=O)NCCOC(C)C 1626a_100000701111_100000210414 [0,1,0,0,0,0|2,0,0]=3 3388 B10R0.55 CCC(=O)NCCOC(C)C 240690a_100000701111_100000210414 [0,1,0,0,0,0|2,0,0]=3 3389 B10R0.55 CCC(=O)NCCOC(C)C 34a_200000158885_100000210206 [0,1,0,0,0,0|2,0,0]=3 3390 B10R0.55 CCC(=O)NCCOC(C)C 527a_100000701111_100000210414 [0,1,0,0,0,0|2,0,0]=3 3391 B10R0.55 CCC(=O)NCCOC(C)C 7a_200000158885_100000210206 [0,1,0,0,0,0|2,0,0]=3 3392 B10R0.55 CCC(=O)NCCSC(=O)C 11a_100020647217_100000210414 [0,1,0,0,0,0|2,0,1]=4 3393 B10R0.55 CCC(=O)NCCSC(=O)C 240690a_100020647217_100000210414 [0,1,0,0,0,0|2,0,1]=4 3394 B10R0.55 CCC(=O)NCCSC(=O)C 527a_100020647217_100000210414 [0,1,0,0,0,0|2,0,1]=4 3395 B10R0.55 CCC(=O)NCCSC(C)C 11a_100000731138_100000210414 [0,1,0,0,0,0|2,0,0]=3 3396 B10R0.55 CCC(=O)NCCSC(C)C 1626a_100000731138_100000210414 [0,1,0,0,0,0|2,0,0]=3 3397 B10R0.55 CCC(=O)NCCSC(C)C 240690a_100000731138_100000210414 [0,1,0,0,0,0|2,0,0]=3 3398 B10R0.55 CCC(=O)NCCSC(C)C 527a_100000731138_100000210414 [0,1,0,0,0,0|2,0,0]=3 3399 B10R0.55 CCC(=O)NN=CCC(C)C 4a_100000183195_100000185833 [0,1,0,0,0,0|2,0,1]=4 3400 B10R0.55 CCC(=O)NNCCN(C)C 22a_100000738145_100000210414 [0,1,0,0,0,0|3,0,0]=4 3401 B10R0.55 CCC(=O)OCCOC(C)C 7a_200000031056_100000210206 [0,1,0,0,0,0|2,0,0]=3 3402 B10R0.55 CCC(C)CCCOC(C)C 7a_100011216074_100000210206 [0,1,0,0,0,0|2,0,1]=4 3403 B10R0.55 CCC(C)CCNCC(C)C 2230a_100020591266_100000210760 [0,1,0,0,0,0|2,0,1]=4 3404 B10R0.55 CCC(C)CCNCC(C)C 270004a_100020591266_100000210432 [0,1,0,0,0,0|2,0,1]=4 3405 B10R0.55 CCC(C)CCNCC(C)O 2230a_100020591266_100011218427 [0,1,0,0,0,0|2,0,1]=4 3406 B10R0.55 CCC(C)CCNC[C@@H](C)O 2230a_100020591266_100009817552 [0,1,0,0,0,0|2,0,1]=4 3407 B10R0.55 CCC(C)CCOCC(C)C 7a_100011215188_100000210760 [0,1,0,0,0,0|2,0,1]=4 3408 B10R0.55 CCC(C)CCOCC(C)O 7a_100011215188_100011218427 [0,1,0,0,0,0|2,0,1]=4 3409 B10R0.55 CCC(C)CCOC[C@@H](C)O 7a_100011215188_100009817552 [0,1,0,0,0,0|2,0,1]=4 3410 B10R0.55 CCC(C)CNCCC(C)C 2230a_100020588543_100000210312 [0,1,0,0,0,0|2,0,1]=4 3411 B10R0.55 CCC(C)CNCCC(C)C 269862a_100020588543_100000185833 [0,1,0,0,0,0|2,0,1]=4 3412 B10R0.55 CCC(C)CNCCC(C)C 270004a_100000210545_100000243153 [0,1,0,0,0,0|2,0,1]=4 3413 B10R0.55 CCC(C)CNCCC(C)O 2230a_100020588543_100012276601 [0,1,0,0,0,0|2,0,1]=4 3414 B10R0.55 CCC(C)CNCCC(C)O 2230a_200000755665_100000748023 [0,1,0,0,0,0|2,0,1]=4 3415 B10R0.55 CCC(C)CNCCC(C)O 270004a_200000755665_100000243153 [0,1,0,0,0,0|2,0,1]=4 3416 B10R0.55 CCC(C)COCCC(C)Br 34a_100009893172_100000748023 [0,1,0,0,0,0|2,0,1]=4 3417 B10R0.55 CCC(C)COCCC(C)C 34a_100000210254_100000748023 [0,1,0,0,0,0|2,0,1]=4 3418 B10R0.55 CCC(C)COCCC(C)C 7a_100000210254_100000748023 [0,1,0,0,0,0|2,0,1]=4 3419 B10R0.55 CCC(C)COCC[C@@H](C)N 34a_100000706166_100000748023 [0,1,0,0,0,0|2,0,1]=4 3420 B10R0.55 CCC(C)CSCCC(C)C 62a_100000210312_100000748023 [0,1,0,0,0,0|2,0,1]=4 3421 B10R0.55 CCC(C)CSCCC(C)C 62a_100000748023_100000210312 [0,1,0,0,0,0|2,0,1]=4 3422 B10R0.55 CCC(C)CSCCC(C)O 62a_100000748023_100012276601 [0,1,0,0,0,0|2,0,1]=4 3423 B10R0.55 CCC(C)CSCCC(C)O 62a_100012276601_100000748023 [0,1,0,0,0,0|2,0,1]=4 3424 B10R0.55 CCC(C)NCCCC(C)C 2230a_100000209981_100011214892 [0,1,0,0,0,0|2,0,1]=4 3425 B10R0.55 CCC(C)NCCCC(C)C 2230a_200000737386_100000758301 [0,1,0,0,0,0|2,0,1]=4 3426 B10R0.55 CCC(C)NCCCC(C)C 34a_200000737386_100011215416 [0,1,0,0,0,0|2,0,1]=4 3427 B10R0.55 CCC(C)NCCCC(C)O 2230a_100000209981_200000718107 [0,1,0,0,0,0|2,0,1]=4 3428 B10R0.55 CCC(C)OCCCC(C)C 34a_100000210774_100011215416 [0,1,0,0,0,0|2,0,1]=4 3429 B10R0.55 CCC(C)OCCCC(C)C 7a_100000210228_100011214892 [0,1,0,0,0,0|2,0,1]=4 3430 B10R0.55 CCC(C)OCCCC(C)C 7a_100000210774_100000758301 [0,1,0,0,0,0|2,0,1]=4 3431 B10R0.55 CCC(C)OCCCC(C)O 7a_100000210228_200000718107 [0,1,0,0,0,0|2,0,1]=4 3432 B10R0.55 CCC(C)SCCCC(C)C 62a_100000758301_100011214892 [0,1,0,0,0,0|2,0,1]=4 3433 B10R0.55 CCC(C)SCCCC(C)C 62a_100011214892_100000758301 [0,1,0,0,0,0|2,0,1]=4 3434 B10R0.55 CCC(C)SCCCC(C)O 62a_100000758301_200000718107 [0,1,0,0,0,0|2,0,1]=4 3435 B10R0.55 CCC(C)SCCCC(C)O 62a_200000718107_100000758301 [0,1,0,0,0,0|2,0,1]=4 3436 B10R0.55 CCC(O)CNCCC(C)C 2230a_100011218483_100000210312 [0,1,0,0,0,0|1,0,2]=4 3437 B10R0.55 CCC(O)CNCCC(C)C 269862a_100011218483_100000185833 [0,1,0,0,0,0|1,0,2]=4 3438 B10R0.55 CCC(O)CNCCC(C)O 2230a_100011218483_100012276601 [0,1,0,0,0,0|1,0,2]=4 3439 B10R0.55 CCC(O)CNCCC(C)O 2230a_200000755665_100011218378 [0,1,0,0,0,0|1,0,2]=4 3440 B10R0.55 CCC(O)COCCC(C)Br 34a_100009893172_100011218378 [0,1,0,0,0,0|1,0,2]=4 3441 B10R0.55 CCC(O)COCCC(C)C 34a_100000210254_100011218378 [0,1,0,0,0,0|1,0,2]=4 3442 B10R0.55 CCC(O)COCCC(C)C 7a_100000210254_100011218378 [0,1,0,0,0,0|1,0,2]=4 3443 B10R0.55 CCC(O)COCC[C@@H](C)N 34a_100000706166_100011218378 [0,1,0,0,0,0|1,0,2]=4 3444 B10R0.55 CCC(O)CSCCC(C)C 62a_100000210312_100011218378 [0,1,0,0,0,0|1,0,2]=4 3445 B10R0.55 CCC(O)CSCCC(C)C 62a_100011218378_100000210312 [0,1,0,0,0,0|1,0,2]=4 3446 B10R0.55 CCC(O)CSCCC(C)O 62a_100011218378_100012276601 [0,1,0,0,0,0|1,0,2]=4 3447 B10R0.55 CCC(O)CSCCC(C)O 62a_100012276601_100011218378 [0,1,0,0,0,0|1,0,2]=4 3448 B10R0.55 CCN(C)CCCCC(=O)C 269982a_100000225621_100000735457 [0,1,0,0,0,0|2,0,1]=4 3449 B10R0.55 CCN(C)CCCCC(C)C 2230a_100000225621_100011216152 [0,1,0,0,0,0|2,0,0]=3 3450 B10R0.55 CCN(C)CCCCC(C)C 269982a_100000225621_100011216152 [0,1,0,0,0,0|2,0,0]=3 3451 B10R0.55 CCN(C)CCCCN(C)C 269982a_100000225621_100000690147 [0,1,0,0,0,0|3,0,0]=4 3452 B10R0.55 CCN(C)CCCNC(C)C 2230a_100138425928_100015186262 [0,1,0,0,0,0|3,0,0]=4 3453 B10R0.55 CCN(C)CCCSC(C)C 62a_100000210206_100015186262 [0,1,0,0,0,0|3,0,0]=4 3454 B10R0.55 CC[C@H](C)CNCCC(C)O 2230a_200000755665_100009816398 [0,1,0,0,0,0|2,0,1]=4 3455 B10R0.55 CC[C@H](C)COCCC(C)Br 34a_100009893172_100009816398 [0,1,0,0,0,0|2,0,1]=4 3456 B10R0.55 CC[C@H](C)COCCC(C)C 34a_100000210254_100009816398 [0,1,0,0,0,0|2,0,1]=4 3457 B10R0.55 CC[C@H](C)COCCC(C)C 7a_100000210254_100009816398 [0,1,0,0,0,0|2,0,1]=4 3458 B10R0.55 CC[C@H](C)COCCC(C)C 7a_100009816381_100000210626 [0,1,0,0,0,0|2,0,1]=4 3459 B10R0.55 CC[C@H](C)COCCC(C)O 7a_100009816381_100012276601 [0,1,0,0,0,0|2,0,1]=4 3460 B10R0.55 CC[C@H](C)COCC[C@@H](C)N 34a_100000706166_100009816398 [0,1,0,0,0,0|2,0,1]=4 3461 B10R0.55 CC[C@H](C)CSCCC(C)C 62a_100000210312_100009816398 [0,1,0,0,0,0|2,0,1]=4 3462 B10R0.55 CC[C@H](C)CSCCC(C)C 62a_100009816398_100000210312 [0,1,0,0,0,0|2,0,1]=4 3463 B10R0.55 CC[C@H](C)CSCCC(C)O 62a_100009816398_100012276601 [0,1,0,0,0,0|2,0,1]=4 3464 B10R0.55 CC[C@H](C)CSCCC(C)O 62a_100012276601_100009816398 [0,1,0,0,0,0|2,0,1]=4 3465 B10R0.55 CN(C)CCCNC(=O)CO 240690a_102531767803_100000210174 [0,1,0,0,0,0|3,0,0]=4 3466 B10R0.55 CN(C)CCCNC(=O)CO 527a_102531767803_100000210174 [0,1,0,0,0,0|3,0,0]=4 3467 B10R0.55 CNC(=O)CCCCC(C)C 11a_106832991635_100011933920 [0,1,0,0,0,0|1,0,0]=2 3468 B10R0.55 CNC(=O)CCCCC(C)C 1626a_100102657272_100011933920 [0,1,0,0,0,0|1,0,0]=2 3469 B10R0.55 CNC(=O)CCCCC(C)C 240690a_100102657272_100011933920 [0,1,0,0,0,0|1,0,0]=2 3470 B10R0.55 CNC(=O)CCCCC(C)C 527a_100102657272_100011933920 [0,1,0,0,0,0|1,0,0]=2 3471 B10R0.55 CNC(=O)CCCCN(C)C 11a_106832991635_100000751710 [0,1,0,0,0,0|2,0,0]=3 3472 B10R0.55 CNC(=O)CCCCN(C)C 240690a_100102657272_100000751710 [0,1,0,0,0,0|2,0,0]=3 3473 B10R0.55 CNC(=O)CCCCN(C)C 527a_100102657272_100000751710 [0,1,0,0,0,0|2,0,0]=3 3474 B10R0.55 CNC(=O)CCCNC(=O)C 11a_100000740002_100015343762 [0,1,0,0,0,0|2,0,1]=4 3475 B10R0.55 CNC(=O)CCCNC(=O)C 11a_106832991635_100000194741 [0,1,0,0,0,0|2,0,1]=4 3476 B10R0.55 CNC(=O)CCCNC(=O)C 1626a_100102657272_100000194741 [0,1,0,0,0,0|2,0,1]=4 3477 B10R0.55 CNC(=O)CCCNC(=O)C 240690a_100000740002_100015343762 [0,1,0,0,0,0|2,0,1]=4 3478 B10R0.55 CNC(=O)CCCNC(=O)C 240690a_100102657272_100000194741 [0,1,0,0,0,0|2,0,1]=4 3479 B10R0.55 CNC(=O)CCCNC(=O)C 527a_100000740002_100103153847 [0,1,0,0,0,0|2,0,1]=4 3480 B10R0.55 CNC(=O)CCCNC(=O)C 527a_100102657272_100000194741 [0,1,0,0,0,0|2,0,1]=4 3481 B10R0.55 CNC(=O)CCCNC(C)C 2230a_100000740002_100000210206 [0,1,0,0,0,0|2,0,0]=3 3482 B10R0.55 CNC(=O)CCCNC(C)C 2230a_100138425928_100000741757 [0,1,0,0,0,0|2,0,0]=3 3483 B10R0.55 CNC(=O)CCCNC(C)C 34a_100000740002_100000210206 [0,1,0,0,0,0|2,0,0]=3 3484 B10R0.55 CNC(=O)CCCNC(C)C 34a_100138425928_100000741757 [0,1,0,0,0,0|2,0,0]=3 3485 B10R0.55 CNC(=O)CCCOC(C)C 34a_100000212225_100000741757 [0,1,0,0,0,0|2,0,0]=3 3486 B10R0.55 CNC(=O)CCCSC(C)C 62a_100000210206_100000741757 [0,1,0,0,0,0|2,0,0]=3 3487 B10R0.55 CNC(=O)CCCSC(C)C 62a_100000741757_100000210206 [0,1,0,0,0,0|2,0,0]=3 3488 B10R0.55 CNC(=O)CCNCC(C)C 2230a_100000210953_100000737683 [0,1,0,0,0,0|2,0,0]=3 3489 B10R0.55 CNC(=O)CCNCC(C)C 2230a_100000738227_100000210760 [0,1,0,0,0,0|2,0,0]=3 3490 B10R0.55 CNC(=O)CCNCC(C)C 270004a_100000738227_100000210432 [0,1,0,0,0,0|2,0,0]=3 3491 B10R0.55 CNC(=O)CCNCC(C)C 34a_100000210953_100012179268 [0,1,0,0,0,0|2,0,0]=3 3492 B10R0.55 CNC(=O)CCNCC(C)C 34a_100000738227_100000210624 [0,1,0,0,0,0|2,0,0]=3 3493 B10R0.55 CNC(=O)CCNCC(C)O 2230a_100000210904_100000737683 [0,1,0,0,0,0|2,0,0]=3 3494 B10R0.55 CNC(=O)CCNCC(C)O 2230a_100000738227_100011218427 [0,1,0,0,0,0|2,0,0]=3 3495 B10R0.55 CNC(=O)CCNCC(C)O 34a_100000210904_100012179268 [0,1,0,0,0,0|2,0,0]=3 3496 B10R0.55 CNC(=O)CCNCC(C)O 34a_100000738227_100011218427 [0,1,0,0,0,0|2,0,0]=3 3497 B10R0.55 CNC(=O)CCNCC(F)F 2230a_100000738227_100011934356 [0,1,0,0,0,0|3,0,0]=4 3498 B10R0.55 CNC(=O)CCNCC(F)F 34a_100000738227_100011934356 [0,1,0,0,0,0|3,0,0]=4 3499 B10R0.55 CNC(=O)CCNCC(F)F 34a_100000765723_100012179268 [0,1,0,0,0,0|3,0,0]=4 3500 B10R0.55 CNC(=O)CCNC[C@@H](C)O 2230a_100000738227_100009817552 [0,1,0,0,0,0|2,0,0]=3 3501 B10R0.55 CNC(=O)CCNC[C@@H](C)O 34a_100000738227_100009817552 [0,1,0,0,0,0|2,0,0]=3 3502 B10R0.55 CNC(=O)CCOCC(=O)C 34a_100000211253_100012179268 [0,1,0,0,0,0|2,0,1]=4 3503 B10R0.55 CNC(=O)CCOCC(C)Br 34a_100012180447_100012179268 [0,1,0,0,0,0|2,0,0]=3 3504 B10R0.55 CNC(=O)CCOCC(C)C 34a_100000210257_100012179268 [0,1,0,0,0,0|2,0,0]=3 3505 B10R0.55 CNC(=O)CCOCC(C)C 34a_100000754576_100000210624 [0,1,0,0,0,0|2,0,0]=3 3506 B10R0.55 CNC(=O)CCOCC(C)F 34a_100015925927_100012179268 [0,1,0,0,0,0|2,0,0]=3 3507 B10R0.55 CNC(=O)CCOCC(C)O 34a_100000754576_100011218427 [0,1,0,0,0,0|2,0,0]=3 3508 B10R0.55 CNC(=O)CCOCC(F)F 34a_100000743014_100012179268 [0,1,0,0,0,0|3,0,0]=4 3509 B10R0.55 CNC(=O)CCOCC(F)F 34a_100000754576_100011934356 [0,1,0,0,0,0|3,0,0]=4 3510 B10R0.55 CNC(=O)CCOC[C@@H](C)Cl 34a_100016084084_100012179268 [0,1,0,0,0,0|2,0,0]=3 3511 B10R0.55 CNC(=O)CCOC[C@@H](C)N 34a_100000737577_100012179268 [0,1,0,0,0,0|2,0,0]=3 3512 B10R0.55 CNC(=O)CCOC[C@@H](C)O 34a_100000754576_100009817552 [0,1,0,0,0,0|2,0,0]=3 3513 B10R0.55 CNC(=O)CCSCC(C)C 62a_100000210624_100000737683 [0,1,0,0,0,0|2,0,0]=3 3514 B10R0.55 CNC(=O)CCSCC(C)C 62a_100000737683_100000210760 [0,1,0,0,0,0|2,0,0]=3 3515 B10R0.55 CNC(=O)CCSCC(C)O 62a_100000737683_100011218427 [0,1,0,0,0,0|2,0,0]=3 3516 B10R0.55 CNC(=O)CCSCC(C)O 62a_100011218427_100000737683 [0,1,0,0,0,0|2,0,0]=3 3517 B10R0.55 CNC(=O)CCSCC(F)F 62a_100000737683_100011934356 [0,1,0,0,0,0|3,0,0]=4 3518 B10R0.55 CNC(=O)CCSCC(F)F 62a_100011934356_100000737683 [0,1,0,0,0,0|3,0,0]=4 3519 B10R0.55 CNC(=O)CCSC[C@@H](C)O 62a_100000737683_100009817552 [0,1,0,0,0,0|2,0,0]=3 3520 B10R0.55 CNC(=O)CCSC[C@@H](C)O 62a_100009817552_100000737683 [0,1,0,0,0,0|2,0,0]=3 3521 B10R0.55 CNC(=O)CNCCC(C)C 2230a_100000693194_100000210312 [0,1,0,0,0,0|2,0,0]=3 3522 B10R0.55 CNC(=O)CNCCC(C)C 269862a_100000693194_100000185833 [0,1,0,0,0,0|2,0,0]=3 3523 B10R0.55 CNC(=O)CNCCC(C)O 2230a_100000693194_100012276601 [0,1,0,0,0,0|2,0,0]=3 3524 B10R0.55 CNC(=O)CNCCC(C)O 2230a_200000755665_100000183359 [0,1,0,0,0,0|2,0,0]=3 3525 B10R0.55 CNC(=O)CNCOC(C)C 2230a_100000693194_100000709892 [0,1,0,0,0,0|3,0,0]=4 3526 B10R0.55 CNC(=O)COCCC(=O)C 34a_100000759926_100000183359 [0,1,0,0,0,0|2,0,1]=4 3527 B10R0.55 CNC(=O)COCCC(=O)C 7a_100000759926_100000183359 [0,1,0,0,0,0|2,0,1]=4 3528 B10R0.55 CNC(=O)COCCC(C)Br 34a_100009893172_100000183359 [0,1,0,0,0,0|2,0,0]=3 3529 B10R0.55 CNC(=O)COCCC(C)C 34a_100000210254_100000183359 [0,1,0,0,0,0|2,0,0]=3 3530 B10R0.55 CNC(=O)COCCC(C)C 34a_100000750040_100000210312 [0,1,0,0,0,0|2,0,0]=3 3531 B10R0.55 CNC(=O)COCCC(C)C 7a_100000210254_100000183359 [0,1,0,0,0,0|2,0,0]=3 3532 B10R0.55 CNC(=O)COCCC(C)O 34a_100000750040_100012276601 [0,1,0,0,0,0|2,0,0]=3 3533 B10R0.55 CNC(=O)COCCC(F)F 34a_100103093639_100000183359 [0,1,0,0,0,0|3,0,0]=4 3534 B10R0.55 CNC(=O)COCC[C@@H](C)N 34a_100000706166_100000183359 [0,1,0,0,0,0|2,0,0]=3 3535 B10R0.55 CNC(=O)COCOC(C)C 34a_100000750040_100000709892 [0,1,0,0,0,0|3,0,0]=4 3536 B10R0.55 CNC(=O)CSCCC(=O)C 62a_100000053229_100000183359 [0,1,0,0,0,0|2,0,1]=4 3537 B10R0.55 CNC(=O)CSCCC(=O)C 62a_100000183359_100000053229 [0,1,0,0,0,0|2,0,1]=4 3538 B10R0.55 CNC(=O)CSCCC(C)C 62a_100000183359_100000210312 [0,1,0,0,0,0|2,0,0]=3 3539 B10R0.55 CNC(=O)CSCCC(C)C 62a_100000210312_100000183359 [0,1,0,0,0,0|2,0,0]=3 3540 B10R0.55 CNC(=O)CSCCC(C)O 62a_100000183359_100012276601 [0,1,0,0,0,0|2,0,0]=3 3541 B10R0.55 CNC(=O)CSCCC(C)O 62a_100012276601_100000183359 [0,1,0,0,0,0|2,0,0]=3 3542 B10R0.55 CNC(=O)CSCCN(C)C 62a_100000183359_100000755713 [0,1,0,0,0,0|3,0,0]=4 3543 B10R0.55 CNC(=O)CSCOC(C)C 62a_100000183359_100000709892 [0,1,0,0,0,0|3,0,0]=4 3544 B10R0.55 CNC(=O)CSCOC(C)C 62a_100000709892_100000183359 [0,1,0,0,0,0|3,0,0]=4 3545 B10R0.55 CNC(=O)NCCCC(C)C 2708a_100102657272_200000737386 [0,1,0,0,0,0|2,0,0]=3 3546 B10R0.55 CNC(=O)NCCCC(C)C 2708a_200000737386_106832991635 [0,1,0,0,0,0|2,0,0]=3 3547 B10R0.55 CNC(=O)NCCCC(C)C 273464a_100102657272_200000737386 [0,1,0,0,0,0|2,0,0]=3 3548 B10R0.55 CNC(=O)NCCCC(C)C 273464a_200000737386_100102657272 [0,1,0,0,0,0|2,0,0]=3 3549 B10R0.55 CNC(=O)NCCCC(C)C 512a_106832991638_200000737386 [0,1,0,0,0,0|2,0,0]=3 3550 B10R0.55 CNC(=O)NCCCC(C)C 512a_200000737386_100102657272 [0,1,0,0,0,0|2,0,0]=3 3551 B10R0.55 CNC(=O)NCCCN(C)C 2708a_100102657272_102531767803 [0,1,0,0,0,0|3,0,0]=4 3552 B10R0.55 CNC(=O)NCCCN(C)C 273464a_100102657272_102531767803 [0,1,0,0,0,0|3,0,0]=4 3553 B10R0.55 CNC(=O)NCCCN(C)C 273464a_102531767803_100102657272 [0,1,0,0,0,0|3,0,0]=4 3554 B10R0.55 CNC(=O)NCCCN(C)C 512a_102531767803_100102657272 [0,1,0,0,0,0|3,0,0]=4 3555 B10R0.55 CNC(=O)NCCCN(C)C 512a_106832991638_102531767803 [0,1,0,0,0,0|3,0,0]=4 3556 B10R0.55 CNC(=O)NCCCS(=O)C 2708a_100102657272_200000753449 [0,1,0,0,0,0|3,0,0]=4 3557 B10R0.55 CNC(=O)NCCCS(=O)C 2708a_200000753449_106832991635 [0,1,0,0,0,0|3,0,0]=4 3558 B10R0.55 CNC(=O)NCCCS(=O)C 273464a_100102657272_200000753449 [0,1,0,0,0,0|3,0,0]=4 3559 B10R0.55 CNC(=O)NCCCS(=O)C 273464a_200000753449_100102657272 [0,1,0,0,0,0|3,0,0]=4 3560 B10R0.55 CNC(=O)NCCCS(=O)C 512a_106832991638_200000753449 [0,1,0,0,0,0|3,0,0]=4 3561 B10R0.55 CNC(=O)NCCCS(=O)C 512a_200000753449_100102657272 [0,1,0,0,0,0|3,0,0]=4 3562 B10R0.55 CNC(=O)NCCNC(C)C 34a_100015205895_100000210206 [0,1,0,0,0,0|3,0,0]=4 3563 B10R0.55 CNC(=O)NCCOC(C)C 2708a_100000701111_106832991635 [0,1,0,0,0,0|3,0,0]=4 3564 B10R0.55 CNC(=O)NCCOC(C)C 2708a_100102657272_100000701111 [0,1,0,0,0,0|3,0,0]=4 3565 B10R0.55 CNC(=O)NCCOC(C)C 273464a_100000701111_100102657272 [0,1,0,0,0,0|3,0,0]=4 3566 B10R0.55 CNC(=O)NCCOC(C)C 273464a_100102657272_100000701111 [0,1,0,0,0,0|3,0,0]=4 3567 B10R0.55 CNC(=O)NCCOC(C)C 512a_100000701111_100102657272 [0,1,0,0,0,0|3,0,0]=4 3568 B10R0.55 CNC(=O)NCCOC(C)C 512a_106832991638_100000701111 [0,1,0,0,0,0|3,0,0]=4 3569 B10R0.55 CNC(=O)NCCSC(C)C 2708a_100000731138_106832991635 [0,1,0,0,0,0|3,0,0]=4 3570 B10R0.55 CNC(=O)NCCSC(C)C 2708a_100102657272_100000731138 [0,1,0,0,0,0|3,0,0]=4 3571 B10R0.55 CNC(=O)NCCSC(C)C 273464a_100000731138_100102657272 [0,1,0,0,0,0|3,0,0]=4 3572 B10R0.55 CNC(=O)NCCSC(C)C 273464a_100102657272_100000731138 [0,1,0,0,0,0|3,0,0]=4 3573 B10R0.55 CNC(=O)NCCSC(C)C 512a_100000731138_100102657272 [0,1,0,0,0,0|3,0,0]=4 3574 B10R0.55 CNC(=O)NCCSC(C)C 512a_106832991638_100000731138 [0,1,0,0,0,0|3,0,0]=4 3575 B10R0.55 CNC(=O)OCCNC(C)C 34a_100138425928_200011997002 [0,1,0,0,0,0|3,0,0]=4 3576 B10R0.55 CNC(=O)OCCOC(C)C 34a_100000212225_200011997002 [0,1,0,0,0,0|3,0,0]=4 3577 B10R0.55 CNC(=O)OCCSC(C)C 62a_100000210206_200011997002 [0,1,0,0,0,0|3,0,0]=4 3578 B10R0.55 CNC(=O)OCCSC(C)C 62a_200011997002_100000210206 [0,1,0,0,0,0|3,0,0]=4 3579 B10R0.55 COC(=O)CCCCC(=O)C 1458a_100000070787_100000204269 [0,1,0,0,0,0|1,0,1]=3 3580 B10R0.55 COC(=O)CCCCC(=O)C 1458a_100000695723_200000210301 [0,1,0,0,0,0|1,0,1]=3 3581 B10R0.55 COC(=O)CCCCC(=O)[13CH3] 1458a_100000695723_200025704644 [0,1,0,0,0,0|1,0,1]=3 3582 B10R0.55 COC(=O)CCCCN(C)C 2230a_100102631434_100000204269 [0,1,0,0,0,0|2,0,0]=3 3583 B10R0.55 COC(=O)CCCCN(C)C 269982a_100102631434_100000204269 [0,1,0,0,0,0|2,0,0]=3 3584 B10R0.55 COC(=O)CCCNC(=O)C 188690a_100000184769_100015343762 [0,1,0,0,0,0|2,0,1]=4 3585 B10R0.55 COC(=O)CCCNC(C)C 2230a_100138425928_100011218270 [0,1,0,0,0,0|2,0,0]=3 3586 B10R0.55 COC(=O)CCCNC(C)C 34a_100138425928_100000742333 [0,1,0,0,0,0|2,0,0]=3 3587 B10R0.55 COC(=O)CCCOC(C)C 34a_100000212225_100000742333 [0,1,0,0,0,0|2,0,0]=3 3588 B10R0.55 COC(=O)CCCSC(C)C 62a_100000210206_100011218270 [0,1,0,0,0,0|2,0,0]=3 3589 B10R0.55 COC(=O)CCCSC(C)C 62a_100011218270_100000210206 [0,1,0,0,0,0|2,0,0]=3 3590 B10R0.55 COC(=O)CCNCC(C)C 2230a_100000210953_100000204255 [0,1,0,0,0,0|2,0,0]=3 3591 B10R0.55 COC(=O)CCNCC(C)C 34a_100000210953_100000742370 [0,1,0,0,0,0|2,0,0]=3 3592 B10R0.55 COC(=O)CCNCC(C)O 2230a_100000210904_100000204255 [0,1,0,0,0,0|2,0,0]=3 3593 B10R0.55 COC(=O)CCNCC(C)O 34a_100000210904_100000742370 [0,1,0,0,0,0|2,0,0]=3 3594 B10R0.55 COC(=O)CCNCC(F)F 34a_100000765723_100000742370 [0,1,0,0,0,0|3,0,0]=4 3595 B10R0.55 COC(=O)CCOCC(=O)C 34a_100000211253_100000742370 [0,1,0,0,0,0|2,0,1]=4 3596 B10R0.55 COC(=O)CCOCC(C)Br 34a_100012180447_100000742370 [0,1,0,0,0,0|2,0,0]=3 3597 B10R0.55 COC(=O)CCOCC(C)C 34a_100000210257_100000742370 [0,1,0,0,0,0|2,0,0]=3 3598 B10R0.55 COC(=O)CCOCC(C)F 34a_100015925927_100000742370 [0,1,0,0,0,0|2,0,0]=3 3599 B10R0.55 COC(=O)CCOCC(F)F 34a_100000743014_100000742370 [0,1,0,0,0,0|3,0,0]=4 3600 B10R0.55 COC(=O)CCOC[C@@H](C)Cl 34a_100016084084_100000742370 [0,1,0,0,0,0|2,0,0]=3 3601 B10R0.55 COC(=O)CCOC[C@@H](C)N 34a_100000737577_100000742370 [0,1,0,0,0,0|2,0,0]=3 3602 B10R0.55 COC(=O)CCSCC(C)C 62a_100000204255_100000210760 [0,1,0,0,0,0|2,0,0]=3 3603 B10R0.55 COC(=O)CCSCC(C)C 62a_100000210624_100000204255 [0,1,0,0,0,0|2,0,0]=3 3604 B10R0.55 COC(=O)CCSCC(C)O 62a_100000204255_100011218427 [0,1,0,0,0,0|2,0,0]=3 3605 B10R0.55 COC(=O)CCSCC(C)O 62a_100011218427_100000204255 [0,1,0,0,0,0|2,0,0]=3 3606 B10R0.55 COC(=O)CCSCC(F)F 62a_100000204255_100011934356 [0,1,0,0,0,0|3,0,0]=4 3607 B10R0.55 COC(=O)CCSCC(F)F 62a_100011934356_100000204255 [0,1,0,0,0,0|3,0,0]=4 3608 B10R0.55 COC(=O)CCSC[C@@H](C)O 62a_100000204255_100009817552 [0,1,0,0,0,0|2,0,0]=3 3609 B10R0.55 COC(=O)CCSC[C@@H](C)O 62a_100009817552_100000204255 [0,1,0,0,0,0|2,0,0]=3 3610 B10R0.55 COC(=O)CNCCC(C)O 2230a_200000755665_100000747449 [0,1,0,0,0,0|2,0,0]=3 3611 B10R0.55 COC(=O)COCCC(=O)C 1458a_100000070787_100000090808 [0,1,0,0,0,0|2,0,1]=4 3612 B10R0.55 COC(=O)COCCC(=O)C 34a_100000759926_100000747449 [0,1,0,0,0,0|2,0,1]=4 3613 B10R0.55 COC(=O)COCCC(=O)C 7a_100000759926_100000747449 [0,1,0,0,0,0|2,0,1]=4 3614 B10R0.55 COC(=O)COCCC(C)Br 34a_100009893172_100000747449 [0,1,0,0,0,0|2,0,0]=3 3615 B10R0.55 COC(=O)COCCC(C)C 34a_100000210254_100000747449 [0,1,0,0,0,0|2,0,0]=3 3616 B10R0.55 COC(=O)COCCC(C)C 7a_100000210254_100000747449 [0,1,0,0,0,0|2,0,0]=3 3617 B10R0.55 COC(=O)COCCC(F)F 34a_100103093639_100000747449 [0,1,0,0,0,0|3,0,0]=4 3618 B10R0.55 COC(=O)COCCN(C)C 2230a_100102631434_100000090808 [0,1,0,0,0,0|3,0,0]=4 3619 B10R0.55 COC(=O)COCC[C@@H](C)N 34a_100000706166_100000747449 [0,1,0,0,0,0|2,0,0]=3 3620 B10R0.55 COC(=O)CSCCC(=O)C 62a_100000053229_100000747449 [0,1,0,0,0,0|2,0,1]=4 3621 B10R0.55 COC(=O)CSCCC(=O)C 62a_100000747449_100000053229 [0,1,0,0,0,0|2,0,1]=4 3622 B10R0.55 COC(=O)CSCCC(C)C 62a_100000210312_100000747449 [0,1,0,0,0,0|2,0,0]=3 3623 B10R0.55 COC(=O)CSCCC(C)C 62a_100000747449_100000210312 [0,1,0,0,0,0|2,0,0]=3 3624 B10R0.55 COC(=O)CSCCC(C)O 62a_100000747449_100012276601 [0,1,0,0,0,0|2,0,0]=3 3625 B10R0.55 COC(=O)CSCCC(C)O 62a_100012276601_100000747449 [0,1,0,0,0,0|2,0,0]=3 3626 B10R0.55 COC(=O)CSCCN(C)C 62a_100000747449_100000755713 [0,1,0,0,0,0|3,0,0]=4 3627 B10R0.55 COC(=O)CSCOC(C)C 62a_100000709892_100000747449 [0,1,0,0,0,0|3,0,0]=4 3628 B10R0.55 COC(=O)CSCOC(C)C 62a_100000747449_100000709892 [0,1,0,0,0,0|3,0,0]=4 3629 B10R0.55 COC(=O)NCCCC(=O)C 1458a_100000753017_200000210301 [0,1,0,0,0,0|2,0,1]=4 3630 B10R0.55 COC(=O)NCCCC(=O)[13CH3] 1458a_100000753017_200025704644 [0,1,0,0,0,0|2,0,1]=4 3631 B10R0.55 COC(=O)NCCOC(C)C 34a_100000757965_100000210206 [0,1,0,0,0,0|3,0,0]=4 3632 B10R0.55 COC(=O)OCCOC(C)C 34a_100010262106_100000210206 [0,1,0,0,0,0|3,0,0]=4 3633 B10R0.55 COC(=O)OCSCC(C)C 62a_100000210624_100000139417 [0,1,0,0,0,0|3,0,0]=4 3634 B10R0.55 COC(=O)OCSCC(C)O 62a_100011218427_100000139417 [0,1,0,0,0,0|3,0,0]=4 3635 B10R0.55 COC(=O)OCSC[C@@H](C)O 62a_100009817552_100000139417 [0,1,0,0,0,0|3,0,0]=4 3636 B10R0.55 CS(=O)CCCNC(=O)CO 240690a_200000753449_100000210174 [0,1,0,0,0,0|3,0,0]=4 3637 B10R0.55 CS(=O)CCCNC(=O)CO 527a_200000753449_100000210174 [0,1,0,0,0,0|3,0,0]=4 3638 B10R0.55 O=C(CO)CCCCB(O)O 1458a_100000210174_200009817182 [0,1,0,0,0,0|3,0,0]=4 3639 B10R0.55 O=C(CO)CCOCC(F)F 1458a_100000210174_200012177212 [0,1,0,0,0,0|3,0,0]=4 3640 B10R0.59 C#CC(=O)CCCN(C)CC 1458a_100000211873_100015186262 [0,1,0,0,0,0|1,0,2]=4 3641 B10R0.59 C=CC(=O)CCCN(C)CC 1458a_100000185746_100015186262 [0,1,0,0,0,0|1,0,2]=4 3642 B10R0.59 C=CC(=O)NCCC(C)CC 1626a_100020591266_100000185746 [0,1,0,0,0,0|1,0,2]=4 3643 B10R0.59 C=CC(=O)NCCC(C)CC 240690a_100020591266_200121576911 [0,1,0,0,0,0|1,0,2]=4 3644 B10R0.59 C=CC(C)COCC(=O)CC 7a_100011215527_100000747405 [0,1,0,0,0,0|1,0,2]=4 3645 B10R0.59 C=CC(O)COCC(=O)CC 34a_100000725409_100000730141 [0,1,0,0,0,0|1,0,2]=4 3646 B10R0.59 C=CC(O)CSCC(=O)CC 62a_100000730141_100000747405 [0,1,0,0,0,0|1,0,2]=4 3647 B10R0.59 C=CC(O)CSCC(=O)CC 62a_100000747405_100000730141 [0,1,0,0,0,0|1,0,2]=4 3648 B10R0.59 CC(CO)CCNC(=O)CO 240690a_106354213184_100000210174 [0,1,0,0,0,0|3,0,0]=4 3649 B10R0.59 CC(CO)CCNC(=O)CO 527a_106354213184_100000210174 [0,1,0,0,0,0|3,0,0]=4 3650 B10R0.59 CCC(=O)CCCC(=O)NC 1458a_100000210414_100000741757 [0,1,0,0,0,0|1,0,1]=3 3651 B10R0.59 CCC(=O)CCCC(=O)OC 1458a_100000210414_100011218270 [0,1,0,0,0,0|1,0,1]=3 3652 B10R0.59 CCC(=O)CCCC(=O)OC 1458a_100000239890_100000210202 [0,1,0,0,0,0|1,0,1]=3 3653 B10R0.59 CCC(=O)CCCN(C)CC 1458a_100000210414_100015186262 [0,1,0,0,0,0|1,0,0]=2 3654 B10R0.59 CCC(=O)CCCN(C)N=O 1458a_200000076914_100000210202 [0,1,0,0,0,0|3,0,0]=4 3655 B10R0.59 CCC(=O)CCOC(=O)NC 1458a_100000210414_200011997002 [0,1,0,0,0,0|2,0,1]=4 3656 B10R0.59 CCC(=O)COCC(=O)NC 34a_100000725409_100000183359 [0,1,0,0,0,0|2,0,1]=4 3657 B10R0.59 CCC(=O)COCC(=O)OC 34a_100000725409_100000747449 [0,1,0,0,0,0|2,0,1]=4 3658 B10R0.59 CCC(=O)COCC(C)CC 34a_100000725409_100000748023 [0,1,0,0,0,0|1,0,0]=2 3659 B10R0.59 CCC(=O)COCC(O)CC 34a_100000725409_100011218378 [0,1,0,0,0,0|1,0,0]=2 3660 B10R0.59 CCC(=O)COCC(O)CO 34a_100000725409_100011219619 [0,1,0,0,0,0|2,0,0]=3 3661 B10R0.59 CCC(=O)COC[C@@H](C)CC 34a_100000725409_100009816398 [0,1,0,0,0,0|1,0,0]=2 3662 B10R0.59 CCC(=O)COC[C@@H](C)CC 7a_100009816381_100000747405 [0,1,0,0,0,0|1,0,0]=2 3663 B10R0.59 CCC(=O)COC[C@@H](C)CO 34a_100000725409_100000059175 [0,1,0,0,0,0|2,0,0]=3 3664 B10R0.59 CCC(=O)COC[C@@H](O)CF 34a_100000725409_100015614560 [0,1,0,0,0,0|2,0,0]=3 3665 B10R0.59 CCC(=O)COC[C@@H](O)CO 34a_100000725409_100009815848 [0,1,0,0,0,0|2,0,0]=3 3666 B10R0.59 CCC(=O)CSCC(=O)CC 62a_100000747405_100000747405 [0,1,0,0,0,0|1,0,1]=3 3667 B10R0.59 CCC(=O)CSCC(=O)NC 62a_100000183359_100000747405 [0,1,0,0,0,0|2,0,1]=4 3668 B10R0.59 CCC(=O)CSCC(=O)NC 62a_100000747405_100000183359 [0,1,0,0,0,0|2,0,1]=4 3669 B10R0.59 CCC(=O)CSCC(=O)OC 1458a_100000191316_100000210202 [0,1,0,0,0,0|2,0,1]=4 3670 B10R0.59 CCC(=O)CSCC(=O)OC 62a_100000747405_100000747449 [0,1,0,0,0,0|2,0,1]=4 3671 B10R0.59 CCC(=O)CSCC(=O)OC 62a_100000747449_100000747405 [0,1,0,0,0,0|2,0,1]=4 3672 B10R0.59 CCC(=O)CSCC(C)CC 62a_100000747405_100000748023 [0,1,0,0,0,0|1,0,0]=2 3673 B10R0.59 CCC(=O)CSCC(C)CC 62a_100000748023_100000747405 [0,1,0,0,0,0|1,0,0]=2 3674 B10R0.59 CCC(=O)CSCC(O)CC 62a_100000747405_100011218378 [0,1,0,0,0,0|1,0,0]=2 3675 B10R0.59 CCC(=O)CSCC(O)CC 62a_100011218378_100000747405 [0,1,0,0,0,0|1,0,0]=2 3676 B10R0.59 CCC(=O)CSCC(O)CO 62a_100000747405_100011219619 [0,1,0,0,0,0|2,0,0]=3 3677 B10R0.59 CCC(=O)CSCC(O)CO 62a_100011219619_100000747405 [0,1,0,0,0,0|2,0,0]=3 3678 B10R0.59 CCC(=O)CSC[C@@H](C)CC 62a_100000747405_100009816398 [0,1,0,0,0,0|1,0,0]=2 3679 B10R0.59 CCC(=O)CSC[C@@H](C)CC 62a_100009816398_100000747405 [0,1,0,0,0,0|1,0,0]=2 3680 B10R0.59 CCC(=O)CSC[C@@H](C)CO 62a_100000059175_100000747405 [0,1,0,0,0,0|2,0,0]=3 3681 B10R0.59 CCC(=O)CSC[C@@H](C)CO 62a_100000747405_100000059175 [0,1,0,0,0,0|2,0,0]=3 3682 B10R0.59 CCC(=O)CSC[C@@H](O)CF 62a_100000747405_100015614560 [0,1,0,0,0,0|2,0,0]=3 3683 B10R0.59 CCC(=O)CSC[C@@H](O)CF 62a_100015614560_100000747405 [0,1,0,0,0,0|2,0,0]=3 3684 B10R0.59 CCC(=O)CSC[C@@H](O)CO 62a_100000747405_100009815848 [0,1,0,0,0,0|2,0,0]=3 3685 B10R0.59 CCC(=O)CSC[C@@H](O)CO 62a_100009815848_100000747405 [0,1,0,0,0,0|2,0,0]=3 3686 B10R0.59 CCC(=O)NCCC(=O)NC 11a_100000738227_100000210414 [0,1,0,0,0,0|2,0,1]=4 3687 B10R0.59 CCC(=O)NCCC(=O)NC 240690a_100000738227_100000210414 [0,1,0,0,0,0|2,0,1]=4 3688 B10R0.59 CCC(=O)NCCC(=O)NC 527a_100000738227_100000210414 [0,1,0,0,0,0|2,0,1]=4 3689 B10R0.59 CCC(=O)NCCC(=O)OC 188690a_100000683876_100000210414 [0,1,0,0,0,0|2,0,1]=4 3690 B10R0.59 CCC(=O)NCCC(C)CC 11a_100020591266_100000210414 [0,1,0,0,0,0|1,0,0]=2 3691 B10R0.59 CCC(=O)NCCC(C)CC 1626a_100020591266_100000210414 [0,1,0,0,0,0|1,0,0]=2 3692 B10R0.59 CCC(=O)NCCC(C)CC 240690a_100020591266_100000210414 [0,1,0,0,0,0|1,0,0]=2 3693 B10R0.59 CCC(=O)NCCC(C)CC 527a_100020591266_100000210414 [0,1,0,0,0,0|1,0,0]=2 3694 B10R0.59 CCC(=O)NCCC(C)CO 240690a_106354213184_100000210414 [0,1,0,0,0,0|2,0,0]=3 3695 B10R0.59 CCC(=O)NCCC(C)CO 527a_106354213184_100000210414 [0,1,0,0,0,0|2,0,0]=3 3696 B10R0.59 CCC(=O)NN=CC(C)CC 4a_100000183195_100000243153 [0,1,0,0,0,0|2,0,1]=4 3697 B10R0.59 CCC(=O)NNCC(O)CC 22a_100015206393_100000210414 [0,1,0,0,0,0|2,0,0]=3 3698 B10R0.59 CCC(C)CCNC(=O)CO 240690a_100020591266_100000210174 [0,1,0,0,0,0|2,0,0]=3 3699 B10R0.59 CCC(C)CCNC(=O)CO 527a_100020591266_100000210174 [0,1,0,0,0,0|2,0,0]=3 3700 B10R0.59 CCC(C)CCNC(=O)NC 2708a_100020591266_106832991635 [0,1,0,0,0,0|2,0,0]=3 3701 B10R0.59 CCC(C)CCNC(=O)NC 2708a_100102657272_100020591266 [0,1,0,0,0,0|2,0,0]=3 3702 B10R0.59 CCC(C)CCNC(=O)NC 273464a_100020591266_100102657272 [0,1,0,0,0,0|2,0,0]=3 3703 B10R0.59 CCC(C)CCNC(=O)NC 273464a_100102657272_100020591266 [0,1,0,0,0,0|2,0,0]=3 3704 B10R0.59 CCC(C)CCNC(=O)NC 512a_100020591266_100102657272 [0,1,0,0,0,0|2,0,0]=3 3705 B10R0.59 CCC(C)CCNC(=O)NC 512a_106832991638_100020591266 [0,1,0,0,0,0|2,0,0]=3 3706 B10R0.59 CCC(C)CCNC(C)CC 2230a_100020591266_100000758301 [0,1,0,0,0,0|2,0,1]=4 3707 B10R0.59 CCC(C)CCOC(C)CC 7a_100011215188_100000758301 [0,1,0,0,0,0|2,0,1]=4 3708 B10R0.59 CCC(C)CNCC(=O)NC 2230a_100000693194_100000748023 [0,1,0,0,0,0|2,0,0]=3 3709 B10R0.59 CCC(C)CNCC(=O)NC 2230a_100020588543_100000183359 [0,1,0,0,0,0|2,0,0]=3 3710 B10R0.59 CCC(C)CNCC(=O)NC 270004a_100000693194_100000243153 [0,1,0,0,0,0|2,0,0]=3 3711 B10R0.59 CCC(C)CNCC(=O)OC 2230a_100020588543_100000747449 [0,1,0,0,0,0|2,0,0]=3 3712 B10R0.59 CCC(C)CNCC(C)CC 2230a_100020588543_100000748023 [0,1,0,0,0,0|2,0,1]=4 3713 B10R0.59 CCC(C)CNCC(C)CC 270004a_100020588543_100000243153 [0,1,0,0,0,0|2,0,1]=4 3714 B10R0.59 CCC(C)CNCC(O)CC 2230a_100011218483_100000748023 [0,1,0,0,0,0|1,0,2]=4 3715 B10R0.59 CCC(C)CNCC(O)CC 2230a_100020588543_100011218378 [0,1,0,0,0,0|1,0,2]=4 3716 B10R0.59 CCC(C)CNCC(O)CC 270004a_100011218483_100000243153 [0,1,0,0,0,0|1,0,2]=4 3717 B10R0.59 CCC(C)CNC[C@@H](C)CC 2230a_100020588543_100009816398 [0,1,0,0,0,0|2,0,1]=4 3718 B10R0.59 CCC(C)COCC(=O)NC 34a_100000750040_100000748023 [0,1,0,0,0,0|2,0,0]=3 3719 B10R0.59 CCC(C)COC[C@@H](C)CC 7a_100009816381_100000748023 [0,1,0,0,0,0|2,0,1]=4 3720 B10R0.59 CCC(C)CSCC(=O)NC 62a_100000183359_100000748023 [0,1,0,0,0,0|2,0,0]=3 3721 B10R0.59 CCC(C)CSCC(=O)NC 62a_100000748023_100000183359 [0,1,0,0,0,0|2,0,0]=3 3722 B10R0.59 CCC(C)CSCC(=O)OC 62a_100000747449_100000748023 [0,1,0,0,0,0|2,0,0]=3 3723 B10R0.59 CCC(C)CSCC(=O)OC 62a_100000748023_100000747449 [0,1,0,0,0,0|2,0,0]=3 3724 B10R0.59 CCC(C)CSCC(C)CC 62a_100000748023_100000748023 [0,1,0,0,0,0|2,0,1]=4 3725 B10R0.59 CCC(C)CSCC(O)CC 62a_100000748023_100011218378 [0,1,0,0,0,0|1,0,2]=4 3726 B10R0.59 CCC(C)CSCC(O)CC 62a_100011218378_100000748023 [0,1,0,0,0,0|1,0,2]=4 3727 B10R0.59 CCC(C)CSC[C@@H](C)CC 62a_100000748023_100009816398 [0,1,0,0,0,0|2,0,1]=4 3728 B10R0.59 CCC(C)CSC[C@@H](C)CC 62a_100009816398_100000748023 [0,1,0,0,0,0|2,0,1]=4 3729 B10R0.59 CCC(C)NCCC(=O)NC 2230a_100000209981_100000737683 [0,1,0,0,0,0|2,0,0]=3 3730 B10R0.59 CCC(C)NCCC(=O)NC 2230a_100000738227_100000758301 [0,1,0,0,0,0|2,0,0]=3 3731 B10R0.59 CCC(C)NCCC(=O)NC 34a_100000738227_100011215416 [0,1,0,0,0,0|2,0,0]=3 3732 B10R0.59 CCC(C)NCCC(=O)OC 2230a_100000209981_100000204255 [0,1,0,0,0,0|2,0,0]=3 3733 B10R0.59 CCC(C)OCCC(=O)NC 34a_100000754576_100011215416 [0,1,0,0,0,0|2,0,0]=3 3734 B10R0.59 CCC(C)OCCC(=O)NC 7a_100000210228_100000737683 [0,1,0,0,0,0|2,0,0]=3 3735 B10R0.59 CCC(C)OCCC(=O)OC 7a_100000210228_100000204255 [0,1,0,0,0,0|2,0,0]=3 3736 B10R0.59 CCC(C)SCCC(=O)NC 62a_100000737683_100000758301 [0,1,0,0,0,0|2,0,0]=3 3737 B10R0.59 CCC(C)SCCC(=O)NC 62a_100000758301_100000737683 [0,1,0,0,0,0|2,0,0]=3 3738 B10R0.59 CCC(C)SCCC(=O)OC 62a_100000204255_100000758301 [0,1,0,0,0,0|2,0,0]=3 3739 B10R0.59 CCC(C)SCCC(=O)OC 62a_100000758301_100000204255 [0,1,0,0,0,0|2,0,0]=3 3740 B10R0.59 CCC(C)SCOC(=O)OC 62a_100000758301_100000139417 [0,1,0,0,0,0|3,0,0]=4 3741 B10R0.59 CCC(O)CNCC(=O)NC 2230a_100000693194_100011218378 [0,1,0,0,0,0|2,0,0]=3 3742 B10R0.59 CCC(O)CNCC(=O)NC 2230a_100011218483_100000183359 [0,1,0,0,0,0|2,0,0]=3 3743 B10R0.59 CCC(O)CNCC(=O)OC 2230a_100011218483_100000747449 [0,1,0,0,0,0|2,0,0]=3 3744 B10R0.59 CCC(O)CNCC(O)CC 2230a_100011218483_100011218378 [0,1,0,0,0,0|1,0,2]=4 3745 B10R0.59 CCC(O)CNC[C@@H](C)CC 2230a_100011218483_100009816398 [0,1,0,0,0,0|1,0,2]=4 3746 B10R0.59 CCC(O)CNNC(=O)CO 22a_100015206393_100000210174 [0,1,0,0,0,0|3,0,0]=4 3747 B10R0.59 CCC(O)CNNC(=O)NC 273464a_100102657272_100015206393 [0,1,0,0,0,0|3,0,0]=4 3748 B10R0.59 CCC(O)CNNC(=O)NC 512a_100015206393_100102657272 [0,1,0,0,0,0|3,0,0]=4 3749 B10R0.59 CCC(O)CNNC(=O)NC 512a_106832991638_100015206393 [0,1,0,0,0,0|3,0,0]=4 3750 B10R0.59 CCC(O)COCC(=O)NC 34a_100000750040_100011218378 [0,1,0,0,0,0|2,0,0]=3 3751 B10R0.59 CCC(O)COC[C@@H](C)CC 7a_100009816381_100011218378 [0,1,0,0,0,0|1,0,2]=4 3752 B10R0.59 CCC(O)CSCC(=O)NC 62a_100000183359_100011218378 [0,1,0,0,0,0|2,0,0]=3 3753 B10R0.59 CCC(O)CSCC(=O)NC 62a_100011218378_100000183359 [0,1,0,0,0,0|2,0,0]=3 3754 B10R0.59 CCC(O)CSCC(=O)OC 62a_100000747449_100011218378 [0,1,0,0,0,0|2,0,0]=3 3755 B10R0.59 CCC(O)CSCC(=O)OC 62a_100011218378_100000747449 [0,1,0,0,0,0|2,0,0]=3 3756 B10R0.59 CCC(O)CSCC(O)CC 62a_100011218378_100011218378 [0,1,0,0,0,0|1,0,2]=4 3757 B10R0.59 CCC(O)CSC[C@@H](C)CC 62a_100009816398_100011218378 [0,1,0,0,0,0|1,0,2]=4 3758 B10R0.59 CCC(O)CSC[C@@H](C)CC 62a_100011218378_100009816398 [0,1,0,0,0,0|1,0,2]=4 3759 B10R0.59 CCN(C)CCCC(=O)CO 1458a_100000210174_100015186262 [0,1,0,0,0,0|2,0,0]=3 3760 B10R0.59 CCN(C)CCCC(=O)NC 2230a_100000225621_100000741757 [0,1,0,0,0,0|2,0,0]=3 3761 B10R0.59 CCN(C)CCCC(=O)NC 269982a_100000225621_100000741757 [0,1,0,0,0,0|2,0,0]=3 3762 B10R0.59 CCN(C)CCCC(=O)OC 2230a_100000225621_100011218270 [0,1,0,0,0,0|2,0,0]=3 3763 B10R0.59 CCN(C)CCCC(=O)OC 269982a_100000225621_100011218270 [0,1,0,0,0,0|2,0,0]=3 3764 B10R0.59 CCN(C)CCCC(=O)OC 269982a_100000739225_100000204670 [0,1,0,0,0,0|2,0,0]=3 3765 B10R0.59 CCN(C)CCCN(C)CC 2230a_100000225621_100015186262 [0,1,0,0,0,0|3,0,0]=4 3766 B10R0.59 CCN(C)CCCN(C)CC 269982a_100000225621_100015186262 [0,1,0,0,0,0|3,0,0]=4 3767 B10R0.59 CCN(C)CCOC(=O)NC 269982a_100000225621_200011997002 [0,1,0,0,0,0|3,0,0]=4 3768 B10R0.59 CC[C@H](C)CNCC(=O)NC 2230a_100000693194_100009816398 [0,1,0,0,0,0|2,0,0]=3 3769 B10R0.59 CC[C@H](C)COCC(=O)NC 34a_100000750040_100009816398 [0,1,0,0,0,0|2,0,0]=3 3770 B10R0.59 CC[C@H](C)COCC(=O)NC 7a_100009816381_100000183359 [0,1,0,0,0,0|2,0,0]=3 3771 B10R0.59 CC[C@H](C)COCC(=O)OC 7a_100009816381_100000747449 [0,1,0,0,0,0|2,0,0]=3 3772 B10R0.59 CC[C@H](C)COC[C@@H](C)CC 7a_100009816381_100009816398 [0,1,0,0,0,0|2,0,1]=4 3773 B10R0.59 CC[C@H](C)CSCC(=O)NC 62a_100000183359_100009816398 [0,1,0,0,0,0|2,0,0]=3 3774 B10R0.59 CC[C@H](C)CSCC(=O)NC 62a_100009816398_100000183359 [0,1,0,0,0,0|2,0,0]=3 3775 B10R0.59 CC[C@H](C)CSCC(=O)OC 62a_100000747449_100009816398 [0,1,0,0,0,0|2,0,0]=3 3776 B10R0.59 CC[C@H](C)CSCC(=O)OC 62a_100009816398_100000747449 [0,1,0,0,0,0|2,0,0]=3 3777 B10R0.59 CC[C@H](C)CSC[C@@H](C)CC 62a_100009816398_100009816398 [0,1,0,0,0,0|2,0,1]=4 3778 B10R0.59 CNC(=O)CCCC(=O)CO 1458a_100000210174_100000741757 [0,1,0,0,0,0|2,0,1]=4 3779 B10R0.59 CNC(=O)CCCC(=O)OC 11a_106832991635_100000239890 [0,1,0,0,0,0|2,0,1]=4 3780 B10R0.59 CNC(=O)CCCC(=O)OC 1626a_100102657272_100000239890 [0,1,0,0,0,0|2,0,1]=4 3781 B10R0.59 CNC(=O)CCCC(=O)OC 240690a_100102657272_100000239890 [0,1,0,0,0,0|2,0,1]=4 3782 B10R0.59 CNC(=O)CCCC(=O)OC 527a_100102657272_100000239890 [0,1,0,0,0,0|2,0,1]=4 3783 B10R0.59 CNC(=O)CCNC(C)CO 2230a_100000738227_100012180447 [0,1,0,0,0,0|3,0,0]=4 3784 B10R0.59 CNC(=O)CCNC(C)CO 34a_100000738227_100012180447 [0,1,0,0,0,0|3,0,0]=4 3785 B10R0.59 CNC(=O)CCN[C@H](C)CO 2230a_100000737577_100000737683 [0,1,0,0,0,0|3,0,0]=4 3786 B10R0.59 CNC(=O)CCOC(C)CF 34a_100016041109_100012179268 [0,1,0,0,0,0|3,0,0]=4 3787 B10R0.59 CNC(=O)CCOC(C)CF 7a_100016041109_100000737683 [0,1,0,0,0,0|3,0,0]=4 3788 B10R0.59 CNC(=O)CCOC(C)CN 34a_100000210904_100012179268 [0,1,0,0,0,0|3,0,0]=4 3789 B10R0.59 CNC(=O)CCOC(C)CO 34a_100000754576_100012180447 [0,1,0,0,0,0|3,0,0]=4 3790 B10R0.59 CNC(=O)CCSC(C)CO 62a_100012180447_100000737683 [0,1,0,0,0,0|3,0,0]=4 3791 B10R0.59 CNC(=O)CCSC(C)OC 62a_100000737683_100009879195 [0,1,0,0,0,0|3,0,0]=4 3792 B10R0.59 CNC(=O)CCSC(C)OC 62a_100009879195_100000737683 [0,1,0,0,0,0|3,0,0]=4 3793 B10R0.59 CNC(=O)CCS[C@H](C)CO 62a_100000737683_100016084084 [0,1,0,0,0,0|3,0,0]=4 3794 B10R0.59 CNC(=O)CCS[C@H](C)CO 62a_100016084084_100000737683 [0,1,0,0,0,0|3,0,0]=4 3795 B10R0.59 CNC(=O)CNCC(C)CO 34a_100000744482_100000183359 [0,1,0,0,0,0|3,0,0]=4 3796 B10R0.59 CNC(=O)CNCC(O)CO 2230a_100000693194_100011219619 [0,1,0,0,0,0|3,0,0]=4 3797 B10R0.59 CNC(=O)CNC[C@@H](C)CO 2230a_100000693194_100000059175 [0,1,0,0,0,0|3,0,0]=4 3798 B10R0.59 CNC(=O)CNC[C@@H](C)OC 2230a_100020591295_100000183359 [0,1,0,0,0,0|3,0,0]=4 3799 B10R0.59 CNC(=O)CNC[C@@H](F)CO 34a_100015665980_100000183359 [0,1,0,0,0,0|3,0,0]=4 3800 B10R0.59 CNC(=O)CNC[C@@H](O)CF 2230a_100000693194_100015614560 [0,1,0,0,0,0|3,0,0]=4 3801 B10R0.59 CNC(=O)CNC[C@@H](O)CO 2230a_100000693194_100009815848 [0,1,0,0,0,0|3,0,0]=4 3802 B10R0.59 CNC(=O)CNC[C@H](O)CO 2230a_100020644852_100000183359 [0,1,0,0,0,0|3,0,0]=4 3803 B10R0.59 CNC(=O)COCC(C)CN 34a_100000744482_100000183359 [0,1,0,0,0,0|3,0,0]=4 3804 B10R0.59 CNC(=O)COCC(C)OC 34a_100000690652_100000183359 [0,1,0,0,0,0|3,0,0]=4 3805 B10R0.59 CNC(=O)COCC(Cl)CCl 34a_100000033668_100000183359 [0,1,0,0,0,0|3,0,0]=4 3806 B10R0.59 CNC(=O)COCC(O)CO 34a_100000750040_100011219619 [0,1,0,0,0,0|3,0,0]=4 3807 B10R0.59 CNC(=O)COC[C@@H](C)CO 34a_100000750040_100000059175 [0,1,0,0,0,0|3,0,0]=4 3808 B10R0.59 CNC(=O)COC[C@@H](O)CF 34a_100000750040_100015614560 [0,1,0,0,0,0|3,0,0]=4 3809 B10R0.59 CNC(=O)COC[C@@H](O)CO 34a_100000750040_100009815848 [0,1,0,0,0,0|3,0,0]=4 3810 B10R0.59 CNC(=O)COC[C@H](F)CN 34a_100015665980_100000183359 [0,1,0,0,0,0|3,0,0]=4 3811 B10R0.59 CNC(=O)CSCC(O)CO 62a_100000183359_100011219619 [0,1,0,0,0,0|3,0,0]=4 3812 B10R0.59 CNC(=O)CSCC(O)CO 62a_100011219619_100000183359 [0,1,0,0,0,0|3,0,0]=4 3813 B10R0.59 CNC(=O)CSC[C@@H](C)CO 62a_100000059175_100000183359 [0,1,0,0,0,0|3,0,0]=4 3814 B10R0.59 CNC(=O)CSC[C@@H](C)CO 62a_100000183359_100000059175 [0,1,0,0,0,0|3,0,0]=4 3815 B10R0.59 CNC(=O)CSC[C@@H](O)CF 62a_100000183359_100015614560 [0,1,0,0,0,0|3,0,0]=4 3816 B10R0.59 CNC(=O)CSC[C@@H](O)CF 62a_100015614560_100000183359 [0,1,0,0,0,0|3,0,0]=4 3817 B10R0.59 CNC(=O)CSC[C@@H](O)CO 62a_100000183359_100009815848 [0,1,0,0,0,0|3,0,0]=4 3818 B10R0.59 CNC(=O)CSC[C@@H](O)CO 62a_100009815848_100000183359 [0,1,0,0,0,0|3,0,0]=4 3819 B10R0.59 CNC(=O)NCCC(C)CO 2708a_100102657272_106354213184 [0,1,0,0,0,0|3,0,0]=4 3820 B10R0.59 CNC(=O)NCCC(C)CO 273464a_100102657272_106354213184 [0,1,0,0,0,0|3,0,0]=4 3821 B10R0.59 CNC(=O)NCCC(C)CO 273464a_106354213184_100102657272 [0,1,0,0,0,0|3,0,0]=4 3822 B10R0.59 CNC(=O)NCCC(C)CO 512a_106354213184_100102657272 [0,1,0,0,0,0|3,0,0]=4 3823 B10R0.59 CNC(=O)NCCC(C)CO 512a_106832991638_106354213184 [0,1,0,0,0,0|3,0,0]=4 3824 B10R0.59 COC(=O)CCCC(=O)CF 1458a_100000239890_100015361967 [0,1,0,0,0,0|2,0,1]=4 3825 B10R0.59 COC(=O)CCCC(=O)CO 1458a_100000210174_100011218270 [0,1,0,0,0,0|2,0,1]=4 3826 B10R0.59 COC(=O)CCCN(C)CF 269982a_100000739225_100015361967 [0,1,0,0,0,0|3,0,0]=4 3827 B10R0.59 COC(=O)CCN[C@H](C)CO 2230a_100000737577_100000204255 [0,1,0,0,0,0|3,0,0]=4 3828 B10R0.59 COC(=O)CCOC(C)CF 34a_100016041109_100000742370 [0,1,0,0,0,0|3,0,0]=4 3829 B10R0.59 COC(=O)CCOC(C)CF 7a_100016041109_100000204255 [0,1,0,0,0,0|3,0,0]=4 3830 B10R0.59 COC(=O)CCOC(C)CN 34a_100000210904_100000742370 [0,1,0,0,0,0|3,0,0]=4 3831 B10R0.59 COC(=O)CCSC(C)CO 62a_100012180447_100000204255 [0,1,0,0,0,0|3,0,0]=4 3832 B10R0.59 COC(=O)CCSC(C)OC 62a_100000204255_100009879195 [0,1,0,0,0,0|3,0,0]=4 3833 B10R0.59 COC(=O)CCSC(C)OC 62a_100009879195_100000204255 [0,1,0,0,0,0|3,0,0]=4 3834 B10R0.59 COC(=O)CCS[C@H](C)CO 62a_100000204255_100016084084 [0,1,0,0,0,0|3,0,0]=4 3835 B10R0.59 COC(=O)CCS[C@H](C)CO 62a_100016084084_100000204255 [0,1,0,0,0,0|3,0,0]=4 3836 B10R0.59 COC(=O)CNCC(C)CO 34a_100000744482_100000747449 [0,1,0,0,0,0|3,0,0]=4 3837 B10R0.59 COC(=O)CNC[C@@H](C)OC 2230a_100020591295_100000747449 [0,1,0,0,0,0|3,0,0]=4 3838 B10R0.59 COC(=O)CNC[C@@H](F)CO 34a_100015665980_100000747449 [0,1,0,0,0,0|3,0,0]=4 3839 B10R0.59 COC(=O)CNC[C@H](O)CO 2230a_100020644852_100000747449 [0,1,0,0,0,0|3,0,0]=4 3840 B10R0.59 COC(=O)COCC(C)CN 34a_100000744482_100000747449 [0,1,0,0,0,0|3,0,0]=4 3841 B10R0.59 COC(=O)COCC(C)OC 34a_100000690652_100000747449 [0,1,0,0,0,0|3,0,0]=4 3842 B10R0.59 COC(=O)COCC(Cl)CCl 34a_100000033668_100000747449 [0,1,0,0,0,0|3,0,0]=4 3843 B10R0.59 COC(=O)COC[C@H](F)CN 34a_100015665980_100000747449 [0,1,0,0,0,0|3,0,0]=4 3844 B10R0.59 COC(=O)CSCC(O)CO 62a_100000747449_100011219619 [0,1,0,0,0,0|3,0,0]=4 3845 B10R0.59 COC(=O)CSCC(O)CO 62a_100011219619_100000747449 [0,1,0,0,0,0|3,0,0]=4 3846 B10R0.59 COC(=O)CSC[C@@H](C)CO 62a_100000059175_100000747449 [0,1,0,0,0,0|3,0,0]=4 3847 B10R0.59 COC(=O)CSC[C@@H](C)CO 62a_100000747449_100000059175 [0,1,0,0,0,0|3,0,0]=4 3848 B10R0.59 COC(=O)CSC[C@@H](O)CF 62a_100000747449_100015614560 [0,1,0,0,0,0|3,0,0]=4 3849 B10R0.59 COC(=O)CSC[C@@H](O)CF 62a_100015614560_100000747449 [0,1,0,0,0,0|3,0,0]=4 3850 B10R0.59 COC(=O)CSC[C@@H](O)CO 62a_100000747449_100009815848 [0,1,0,0,0,0|3,0,0]=4 3851 B10R0.59 COC(=O)CSC[C@@H](O)CO 62a_100009815848_100000747449 [0,1,0,0,0,0|3,0,0]=4 3852 B10R0.62 CCCCCCC(C)(C)OC 7a_200011995690_200000210301 [0,1,0,0,0,0|2,0,1]=4 3853 B10R0.62 CCCCCCC(C)(C)O[13CH3] 7a_200011995690_200025704644 [0,1,0,0,0,0|2,0,1]=4 3854 B10R0.62 CCCCCCS(=O)(=O)NC 270084a_100102657272_100011361803 [0,1,0,0,0,0|2,0,0]=3 3855 B10R0.62 CCCCCCS(=O)(=O)NC 274078a_100102657272_100011361803 [0,1,0,0,0,0|2,0,0]=3 3856 B10R0.62 CCCCCNC(C)(C)CC 2230a_100000211385_100000210326 [0,1,0,0,0,0|2,0,1]=4 3857 B10R0.62 CCCCCNS(=O)(=O)CC 270084a_100000209983_100000211323 [0,1,0,0,0,0|2,0,0]=3 3858 B10R0.62 CCCCCNS(=O)(=O)CC 274078a_100000209983_100000211323 [0,1,0,0,0,0|2,0,0]=3 3859 B10R0.62 CCCCCNS(=O)(=O)CC 40a_100000209983_100000053943 [0,1,0,0,0,0|2,0,0]=3 3860 B10R0.62 CCCCCNS(=O)(=O)CCl 270084a_100000209983_100000031410 [0,1,0,0,0,0|3,0,0]=4 3861 B10R0.62 CCCCCNS(=O)(=O)CCl 274078a_100000209983_100000031410 [0,1,0,0,0,0|3,0,0]=4 3862 B10R0.62 CCCCCOC(C)(C)CC 7a_100000210230_100000210326 [0,1,0,0,0,0|2,0,1]=4 3863 B10R0.62 CCCCCOC(C)(C)CC 7a_100000210253_100000210677 [0,1,0,0,0,0|2,0,1]=4 3864 B10R0.62 CCCCCSC(C)(C)CC 62a_100000032637_100000210326 [0,1,0,0,0,0|2,0,1]=4 3865 B10R0.62 CCCCCSC(C)(C)CC 62a_100000210326_100000032637 [0,1,0,0,0,0|2,0,1]=4 3866 B10R0.62 CCCCNNS(=O)(=O)CC 40a_100025702795_100000053943 [0,1,0,0,0,0|3,0,0]=4 3867 B10R0.62 CCCCOCC(C)(C)CC 7a_100000765029_100000210211 [0,1,0,0,0,0|2,0,1]=4 3868 B10R0.62 CCCNCCS(=O)(=O)CC 2230a_100000751051_100000210303 [0,1,0,0,0,0|2,0,0]=3 3869 B10R0.62 CCCNCCS(=O)(=O)CC 34a_100000751051_100000210303 [0,1,0,0,0,0|2,0,0]=3 3870 B10R0.62 CCCNCCS(=O)(=O)NC 2230a_100000710037_100000210303 [0,1,0,0,0,0|3,0,0]=4 3871 B10R0.62 CCCNCCS(=O)(=O)NC 34a_100000710037_100000210303 [0,1,0,0,0,0|3,0,0]=4 3872 B10R0.62 CCCOCCS(=O)(=O)CC 34a_100000210258_100000756660 [0,1,0,0,0,0|2,0,0]=3 3873 B10R0.62 CCCOCCS(=O)(=O)CC 34a_200011216379_100000210303 [0,1,0,0,0,0|2,0,0]=3 3874 B10R0.62 CCCOCCS(=O)(=O)CC 7a_200011216379_100000210303 [0,1,0,0,0,0|2,0,0]=3 3875 B10R0.62 CCCSCCS(=O)(=O)CC 62a_100000210303_100000756660 [0,1,0,0,0,0|2,0,0]=3 3876 B10R0.62 CCCSCCS(=O)(=O)CC 62a_100000756660_100000210303 [0,1,0,0,0,0|2,0,0]=3 3877 B10R0.62 CCOCCNS(=O)(=O)CC 270084a_102516460346_100000211323 [0,1,0,0,0,0|3,0,0]=4 3878 B10R0.62 CCOCCNS(=O)(=O)CC 274078a_102516460346_100000211323 [0,1,0,0,0,0|3,0,0]=4 3879 B10R0.62 CCOCCNS(=O)(=O)CC 40a_100011200944_100000053943 [0,1,0,0,0,0|3,0,0]=4 3880 B10R0.62 CCS(=O)(=O)CCNCCF 2230a_100000751051_100011217306 [0,1,0,0,0,0|3,0,0]=4 3881 B10R0.62 CCS(=O)(=O)CCNCCF 34a_100000724931_100000756660 [0,1,0,0,0,0|3,0,0]=4 3882 B10R0.62 CCS(=O)(=O)CCNCCF 34a_100000751051_100011217306 [0,1,0,0,0,0|3,0,0]=4 3883 B10R0.62 CCS(=O)(=O)CCNCCO 2230a_100000751051_100000211926 [0,1,0,0,0,0|3,0,0]=4 3884 B10R0.62 CCS(=O)(=O)CCNCCO 2230a_100016997473_100000756660 [0,1,0,0,0,0|3,0,0]=4 3885 B10R0.62 CCS(=O)(=O)CCNCCO 34a_100000751051_100000211926 [0,1,0,0,0,0|3,0,0]=4 3886 B10R0.62 CCS(=O)(=O)CCNCCO 34a_100016990907_100000756660 [0,1,0,0,0,0|3,0,0]=4 3887 B10R0.62 CCS(=O)(=O)CCNCOC 2230a_100000751051_100000766300 [0,1,0,0,0,0|3,0,0]=4 3888 B10R0.62 CCS(=O)(=O)CCNCSC 2230a_100000751051_100011218213 [0,1,0,0,0,0|3,0,0]=4 3889 B10R0.62 CCS(=O)(=O)CCNCSC 34a_100000751051_100011218213 [0,1,0,0,0,0|3,0,0]=4 3890 B10R0.62 CCS(=O)(=O)CCOCCBr 34a_100000211926_100000756660 [0,1,0,0,0,0|3,0,0]=4 3891 B10R0.62 CCS(=O)(=O)CCOCCF 34a_200011216379_100011217306 [0,1,0,0,0,0|3,0,0]=4 3892 B10R0.62 CCS(=O)(=O)CCOCCF 7a_200011216379_100011217306 [0,1,0,0,0,0|3,0,0]=4 3893 B10R0.62 CCS(=O)(=O)CCOCCN 34a_100000210304_100000756660 [0,1,0,0,0,0|3,0,0]=4 3894 B10R0.62 CCS(=O)(=O)CCOCCO 34a_200011216379_100000211926 [0,1,0,0,0,0|3,0,0]=4 3895 B10R0.62 CCS(=O)(=O)CCOCCO 7a_200011216379_100000211926 [0,1,0,0,0,0|3,0,0]=4 3896 B10R0.62 CCS(=O)(=O)CCOCSC 34a_200011216379_100011218213 [0,1,0,0,0,0|3,0,0]=4 3897 B10R0.62 CCS(=O)(=O)CCSCCF 62a_100000756660_100011217306 [0,1,0,0,0,0|3,0,0]=4 3898 B10R0.62 CCS(=O)(=O)CCSCCF 62a_100011217306_100000756660 [0,1,0,0,0,0|3,0,0]=4 3899 B10R0.62 CCS(=O)(=O)CCSCCO 62a_100000211926_100000756660 [0,1,0,0,0,0|3,0,0]=4 3900 B10R0.62 CCS(=O)(=O)CCSCCO 62a_100000756660_100000211926 [0,1,0,0,0,0|3,0,0]=4 3901 B10R0.62 CCS(=O)(=O)CCSCOC 62a_100000756660_100000766300 [0,1,0,0,0,0|3,0,0]=4 3902 B10R0.62 CCS(=O)(=O)CCSCOC 62a_100000766300_100000756660 [0,1,0,0,0,0|3,0,0]=4 3903 B10R0.62 CCS(=O)(=O)CCSCSC 62a_100000756660_100011218213 [0,1,0,0,0,0|3,0,0]=4 3904 B10R0.62 CCS(=O)(=O)CCSCSC 62a_100011218213_100000756660 [0,1,0,0,0,0|3,0,0]=4 3905 B10R0.62 CCS(=O)(=O)NCCCCO 270084a_100000750430_100000211323 [0,1,0,0,0,0|3,0,0]=4 3906 B10R0.62 CCS(=O)(=O)NCCCCO 274078a_100000750430_100000211323 [0,1,0,0,0,0|3,0,0]=4 3907 B10R0.62 CCS(=O)(=O)NCCCCO 40a_100000750430_100000053943 [0,1,0,0,0,0|3,0,0]=4 3908 B10R0.62 CCS(=O)(=O)NCCCOC 270084a_100150723488_100000211323 [0,1,0,0,0,0|3,0,0]=4 3909 B10R0.62 CCS(=O)(=O)NCCCOC 274078a_100150723488_100000211323 [0,1,0,0,0,0|3,0,0]=4 3910 B10R0.62 CCS(=O)(=O)NCCCOC 40a_100150723488_100000053943 [0,1,0,0,0,0|3,0,0]=4 3911 B10R0.62 CCS(=O)(=O)NCCCSC 270084a_100000749238_100000211323 [0,1,0,0,0,0|3,0,0]=4 3912 B10R0.62 CCS(=O)(=O)NCCCSC 274078a_100000749238_100000211323 [0,1,0,0,0,0|3,0,0]=4 3913 B10R0.62 CCS(=O)(=O)NCCCSC 40a_100000749238_100000053943 [0,1,0,0,0,0|3,0,0]=4 3914 B10R0.62 CCSCCNS(=O)(=O)CC 270084a_100000106463_100000211323 [0,1,0,0,0,0|3,0,0]=4 3915 B10R0.62 CCSCCNS(=O)(=O)CC 274078a_100000106463_100000211323 [0,1,0,0,0,0|3,0,0]=4 3916 B10R0.62 CCSCCNS(=O)(=O)CC 40a_100000106463_100000053943 [0,1,0,0,0,0|3,0,0]=4 3917 B10R0.74 C#CC(=O)CCCCCC#N 1458a_100000211873_100009813376 [0,1,0,0,0,0|0,0,3]=4 3918 B10R0.74 C#CC(=O)CCCCCC=C 1458a_100000211873_100000700193 [0,1,0,0,0,0|0,0,3]=4 3919 B10R0.74 C#CC(=O)CCCCCCC 1458a_100000211873_100000210614 [0,1,0,0,0,0|0,0,2]=3 3920 B10R0.74 C#CC(=O)CCCCCCF 1458a_100000211873_100015922095 [0,1,0,0,0,0|0,0,2]=3 3921 B10R0.74 C#CC(=O)CCCCCCO 1458a_100000211873_100000766143 [0,1,0,0,0,0|0,0,2]=3 3922 B10R0.74 C#CC(=O)CCOCCCC 1458a_100000211873_100000743108 [0,1,0,0,0,0|0,0,2]=3 3923 B10R0.74 C#CC(=O)CCOCCOC 1458a_100000211873_100000695917 [0,1,0,0,0,0|1,0,2]=4 3924 B10R0.74 C#CCCCCCC(=O)C#C 1458a_100000211873_100012094781 [0,1,0,0,0,0|0,0,3]=4 3925 B10R0.74 C#CCCCCCC(=O)C=C 1458a_100000185746_100012094781 [0,1,0,0,0,0|0,0,3]=4 3926 B10R0.74 C#CCCCCCC(=O)CC 1458a_100000210414_100012094781 [0,1,0,0,0,0|0,0,1]=2 3927 B10R0.74 C#CCCCCCC(=O)CC 1458a_100000694772_100000210202 [0,1,0,0,0,0|0,0,1]=2 3928 B10R0.74 C#CCCCCCC(=O)CF 1458a_100000694772_100015361967 [0,1,0,0,0,0|1,0,1]=3 3929 B10R0.74 C#CCCCCCC(=O)CO 1458a_100000210174_100012094781 [0,1,0,0,0,0|1,0,1]=3 3930 B10R0.74 C#CCCCCCC(=O)NC 11a_106832991635_100000694772 [0,1,0,0,0,0|1,0,1]=3 3931 B10R0.74 C#CCCCCCC(=O)NC 1626a_100102657272_100000694772 [0,1,0,0,0,0|1,0,1]=3 3932 B10R0.74 C#CCCCCCC(=O)NC 240690a_100102657272_100000694772 [0,1,0,0,0,0|1,0,1]=3 3933 B10R0.74 C#CCCCCCC(=O)NC 527a_100102657272_100000694772 [0,1,0,0,0,0|1,0,1]=3 3934 B10R0.74 C#CCCCCCN(C)CC 2230a_100000225621_100012094781 [0,1,0,0,0,0|2,0,1]=4 3935 B10R0.74 C#CCCCCCN(C)CC 269982a_100000225621_100012094781 [0,1,0,0,0,0|2,0,1]=4 3936 B10R0.74 C#CCCCCNC(=O)CC 11a_100000706060_100000210414 [0,1,0,0,0,0|0,0,2]=3 3937 B10R0.74 C#CCCCCNC(=O)CC 1626a_100000706060_100000210414 [0,1,0,0,0,0|0,0,2]=3 3938 B10R0.74 C#CCCCCNC(=O)CC 240690a_100000706060_100000210414 [0,1,0,0,0,0|0,0,2]=3 3939 B10R0.74 C#CCCCCNC(=O)CC 527a_100000706060_100000210414 [0,1,0,0,0,0|0,0,2]=3 3940 B10R0.74 C#CCCCCNC(=O)CO 240690a_100000706060_100000210174 [0,1,0,0,0,0|1,0,2]=4 3941 B10R0.74 C#CCCCCNC(=O)CO 527a_100000706060_100000210174 [0,1,0,0,0,0|1,0,2]=4 3942 B10R0.74 C#CCCCCNC(=O)NC 2708a_100000706060_106832991635 [0,1,0,0,0,0|1,0,2]=4 3943 B10R0.74 C#CCCCCNC(=O)NC 2708a_100102657272_100000706060 [0,1,0,0,0,0|1,0,2]=4 3944 B10R0.74 C#CCCCCNC(=O)NC 273464a_100000706060_100102657272 [0,1,0,0,0,0|1,0,2]=4 3945 B10R0.74 C#CCCCCNC(=O)NC 273464a_100102657272_100000706060 [0,1,0,0,0,0|1,0,2]=4 3946 B10R0.74 C#CCCCCNC(=O)NC 512a_100000706060_100102657272 [0,1,0,0,0,0|1,0,2]=4 3947 B10R0.74 C#CCCCCNC(=O)NC 512a_106832991638_100000706060 [0,1,0,0,0,0|1,0,2]=4 3948 B10R0.74 C#CCCCNCC(=O)NC 2230a_100000693194_100000731252 [0,1,0,0,0,0|1,0,2]=4 3949 B10R0.74 C#CCCCNCC(=O)NC 34a_100000718082_100000183359 [0,1,0,0,0,0|1,0,2]=4 3950 B10R0.74 C#CCCCNCC(=O)OC 34a_100000718082_100000747449 [0,1,0,0,0,0|1,0,2]=4 3951 B10R0.74 C#CCCCOCC(=O)CC 34a_100000725409_100000695029 [0,1,0,0,0,0|0,0,2]=3 3952 B10R0.74 C#CCCCOCC(=O)CC 7a_100000215630_100000747405 [0,1,0,0,0,0|0,0,2]=3 3953 B10R0.74 C#CCCCOCC(=O)NC 34a_100000215630_100000183359 [0,1,0,0,0,0|1,0,2]=4 3954 B10R0.74 C#CCCCOCC(=O)NC 34a_100000750040_100000695029 [0,1,0,0,0,0|1,0,2]=4 3955 B10R0.74 C#CCCCOCC(=O)NC 7a_100000215630_100000183359 [0,1,0,0,0,0|1,0,2]=4 3956 B10R0.74 C#CCCCOCC(=O)OC 34a_100000215630_100000747449 [0,1,0,0,0,0|1,0,2]=4 3957 B10R0.74 C#CCCCOCC(=O)OC 7a_100000215630_100000747449 [0,1,0,0,0,0|1,0,2]=4 3958 B10R0.74 C#CCCCSCC(=O)CC 62a_100000747405_100011215417 [0,1,0,0,0,0|0,0,2]=3 3959 B10R0.74 C#CCCCSCC(=O)CC 62a_100011215417_100000747405 [0,1,0,0,0,0|0,0,2]=3 3960 B10R0.74 C#CCCCSCC(=O)NC 62a_100000183359_100011215417 [0,1,0,0,0,0|1,0,2]=4 3961 B10R0.74 C#CCCCSCC(=O)NC 62a_100011215417_100000183359 [0,1,0,0,0,0|1,0,2]=4 3962 B10R0.74 C#CCCCSCC(=O)OC 62a_100000747449_100011215417 [0,1,0,0,0,0|1,0,2]=4 3963 B10R0.74 C#CCCCSCC(=O)OC 62a_100011215417_100000747449 [0,1,0,0,0,0|1,0,2]=4 3964 B10R0.74 C#CCCNCCC(=O)NC 2230a_100000738227_100000688953 [0,1,0,0,0,0|1,0,2]=4 3965 B10R0.74 C#CCCNCCC(=O)NC 34a_100000738227_100000688953 [0,1,0,0,0,0|1,0,2]=4 3966 B10R0.74 C#CCCNCCC(=O)NC 34a_100000755551_100012179268 [0,1,0,0,0,0|1,0,2]=4 3967 B10R0.74 C#CCCNCCC(=O)OC 34a_100000755551_100000742370 [0,1,0,0,0,0|1,0,2]=4 3968 B10R0.74 C#CCCOCCC(=O)NC 34a_100000754576_100000688953 [0,1,0,0,0,0|1,0,2]=4 3969 B10R0.74 C#CCCOCCC(=O)NC 34a_100011215631_100012179268 [0,1,0,0,0,0|1,0,2]=4 3970 B10R0.74 C#CCCOCCC(=O)OC 34a_100011215631_100000742370 [0,1,0,0,0,0|1,0,2]=4 3971 B10R0.74 C#CCCSCCC(=O)NC 62a_100000688953_100000737683 [0,1,0,0,0,0|1,0,2]=4 3972 B10R0.74 C#CCCSCCC(=O)NC 62a_100000737683_100000688953 [0,1,0,0,0,0|1,0,2]=4 3973 B10R0.74 C#CCCSCCC(=O)OC 62a_100000204255_100000688953 [0,1,0,0,0,0|1,0,2]=4 3974 B10R0.74 C#CCCSCCC(=O)OC 62a_100000688953_100000204255 [0,1,0,0,0,0|1,0,2]=4 3975 B10R0.74 C#CCNCCCC(=O)NC 2230a_100000740002_100000038162 [0,1,0,0,0,0|1,0,2]=4 3976 B10R0.74 C#CCNCCCC(=O)NC 34a_100000212058_100000741757 [0,1,0,0,0,0|1,0,2]=4 3977 B10R0.74 C#CCNCCCC(=O)NC 34a_100000740002_100000184674 [0,1,0,0,0,0|1,0,2]=4 3978 B10R0.74 C#CCNCCCC(=O)OC 34a_100000212058_100000742333 [0,1,0,0,0,0|1,0,2]=4 3979 B10R0.74 C#CCNCCNC(=O)CC 34a_100132302217_100000184674 [0,1,0,0,0,0|1,0,2]=4 3980 B10R0.74 C#CCOCCCC(=O)NC 34a_100000210247_100000741757 [0,1,0,0,0,0|1,0,2]=4 3981 B10R0.74 C#CCOCCCC(=O)OC 34a_100000210247_100000742333 [0,1,0,0,0,0|1,0,2]=4 3982 B10R0.74 C#CCOCCNC(=O)CC 11a_100000700922_100000210414 [0,1,0,0,0,0|1,0,2]=4 3983 B10R0.74 C#CCOCCNC(=O)CC 1626a_100000700922_100000210414 [0,1,0,0,0,0|1,0,2]=4 3984 B10R0.74 C#CCOCCNC(=O)CC 240690a_100000700922_100000210414 [0,1,0,0,0,0|1,0,2]=4 3985 B10R0.74 C#CCOCCNC(=O)CC 34a_200000158885_100000184674 [0,1,0,0,0,0|1,0,2]=4 3986 B10R0.74 C#CCOCCNC(=O)CC 527a_100000700922_100000210414 [0,1,0,0,0,0|1,0,2]=4 3987 B10R0.74 C#CCOCCNC(=O)CC 7a_200000158885_100000038162 [0,1,0,0,0,0|1,0,2]=4 3988 B10R0.74 C#CCOCCOC(=O)CC 7a_200000031056_100000038162 [0,1,0,0,0,0|1,0,2]=4 3989 B10R0.74 C#CCSCCCC(=O)NC 62a_100000038162_100000741757 [0,1,0,0,0,0|1,0,2]=4 3990 B10R0.74 C#CCSCCCC(=O)OC 62a_100000038162_100011218270 [0,1,0,0,0,0|1,0,2]=4 3991 B10R0.74 C/C=C/CCOCC(=O)NC 34a_100016278192_100000183359 [0,1,0,0,0,0|1,0,2]=4 3992 B10R0.74 C/C=C/CCOCC(=O)OC 34a_100016278192_100000747449 [0,1,0,0,0,0|1,0,2]=4 3993 B10R0.74 C/C=C/CNCCC(=O)NC 34a_100000738227_100102629194 [0,1,0,0,0,0|1,0,2]=4 3994 B10R0.74 C/C=C/COCCC(=O)NC 34a_100000754576_100102629194 [0,1,0,0,0,0|1,0,2]=4 3995 B10R0.74 C/C=C/COCCC(=O)NC 34a_100016270725_100012179268 [0,1,0,0,0,0|1,0,2]=4 3996 B10R0.74 C/C=C/COCCC(=O)OC 34a_100016270725_100000742370 [0,1,0,0,0,0|1,0,2]=4 3997 B10R0.74 C/C=C/CSCCC(=O)NC 62a_100000737683_100102629194 [0,1,0,0,0,0|1,0,2]=4 3998 B10R0.74 C/C=C/CSCCC(=O)NC 62a_100102629194_100000737683 [0,1,0,0,0,0|1,0,2]=4 3999 B10R0.74 C/C=C/CSCCC(=O)OC 62a_100000204255_100102629194 [0,1,0,0,0,0|1,0,2]=4 4000 B10R0.74 C/C=C/CSCCC(=O)OC 62a_100102629194_100000204255 [0,1,0,0,0,0|1,0,2]=4 4001 B10R0.74 C=C(C#N)CNCCCCC 2230a_100000209983_100000694840 [0,1,0,0,0,0|2,0,1]=4 4002 B10R0.74 C=C(C#N)COCCCCC 34a_100000210253_100000694840 [0,1,0,0,0,0|2,0,1]=4 4003 B10R0.74 C=C(C#N)CSCCCCC 62a_100000210326_100000694840 [0,1,0,0,0,0|2,0,1]=4 4004 B10R0.74 C=CC(=O)CCCCCC#N 1458a_100000185746_100009813376 [0,1,0,0,0,0|0,0,3]=4 4005 B10R0.74 C=CC(=O)CCCCCCC 1458a_100000185746_100000210614 [0,1,0,0,0,0|0,0,2]=3 4006 B10R0.74 C=CC(=O)CCCCCCF 1458a_100000185746_100015922095 [0,1,0,0,0,0|0,0,2]=3 4007 B10R0.74 C=CC(=O)CCCCCCO 1458a_100000185746_100000766143 [0,1,0,0,0,0|0,0,2]=3 4008 B10R0.74 C=CC(=O)CCOCCCC 1458a_100000185746_100000743108 [0,1,0,0,0,0|0,0,2]=3 4009 B10R0.74 C=CC(=O)CCOCCOC 1458a_100000185746_100000695917 [0,1,0,0,0,0|1,0,2]=4 4010 B10R0.74 C=CC(=O)NCCCCCC 1626a_100000210581_100000185746 [0,1,0,0,0,0|0,0,2]=3 4011 B10R0.74 C=CC(=O)NCCCCCC 240690a_100000210581_200121576911 [0,1,0,0,0,0|0,0,2]=3 4012 B10R0.74 C=CC(=O)NCCCCCO 240690a_100000762737_200121576911 [0,1,0,0,0,0|1,0,2]=4 4013 B10R0.74 C=CC(=O)NCCCCOC 34a_100014118770_200000210301 [0,1,0,0,0,0|1,0,2]=4 4014 B10R0.74 C=CC(=O)NCCCCO[13CH3] 34a_100014118770_200025704644 [0,1,0,0,0,0|1,0,2]=4 4015 B10R0.74 C=CC(=O)NCCCOCC 1626a_100000210961_100000185746 [0,1,0,0,0,0|1,0,2]=4 4016 B10R0.74 C=CC(=O)NCCCOCC 240690a_100000210961_200121576911 [0,1,0,0,0,0|1,0,2]=4 4017 B10R0.74 C=CC(=O)NCCNCCC 2230a_114873766552_100000210303 [0,1,0,0,0,0|1,0,2]=4 4018 B10R0.74 C=CC(=O)NCCOCCC 1626a_100161115042_100000185746 [0,1,0,0,0,0|1,0,2]=4 4019 B10R0.74 C=CC(=O)NCCOCCC 240690a_100161115042_200121576911 [0,1,0,0,0,0|1,0,2]=4 4020 B10R0.74 C=CC(=O)NCCOCCC 34a_100011304386_100000210303 [0,1,0,0,0,0|1,0,2]=4 4021 B10R0.74 C=CC(=O)NCCSCCC 240690a_100020603323_200121576911 [0,1,0,0,0,0|1,0,2]=4 4022 B10R0.74 C=CC(=O)NNCCCCC 22a_100000694160_100000185746 [0,1,0,0,0,0|1,0,2]=4 4023 B10R0.74 C=CC(=O)OCCOCCC 34a_100000210258_100009813456 [0,1,0,0,0,0|1,0,2]=4 4024 B10R0.74 C=CC(=O)OCCSCCC 62a_100000210303_100009813456 [0,1,0,0,0,0|1,0,2]=4 4025 B10R0.74 C=CC(=O)OCCSCCC 62a_100009813456_100000210303 [0,1,0,0,0,0|1,0,2]=4 4026 B10R0.74 C=CCCCCCC(=O)C=C 1458a_100000185746_100000700193 [0,1,0,0,0,0|0,0,3]=4 4027 B10R0.74 C=CCCCCCC(=O)CC 1458a_100000210414_100000700193 [0,1,0,0,0,0|0,0,1]=2 4028 B10R0.74 C=CCCCCCC(=O)CC 1458a_100011934241_100000210202 [0,1,0,0,0,0|0,0,1]=2 4029 B10R0.74 C=CCCCCCC(=O)CF 1458a_100011934241_100015361967 [0,1,0,0,0,0|1,0,1]=3 4030 B10R0.74 C=CCCCCCC(=O)CO 1458a_100000210174_100000700193 [0,1,0,0,0,0|1,0,1]=3 4031 B10R0.74 C=CCCCCCC(=O)NC 11a_106832991635_100011934241 [0,1,0,0,0,0|1,0,1]=3 4032 B10R0.74 C=CCCCCCC(=O)NC 1626a_100102657272_100011934241 [0,1,0,0,0,0|1,0,1]=3 4033 B10R0.74 C=CCCCCCC(=O)NC 240690a_100102657272_100011934241 [0,1,0,0,0,0|1,0,1]=3 4034 B10R0.74 C=CCCCCCC(=O)NC 527a_100102657272_100011934241 [0,1,0,0,0,0|1,0,1]=3 4035 B10R0.74 C=CCCCCCN(C)CC 2230a_100000225621_100000700193 [0,1,0,0,0,0|2,0,1]=4 4036 B10R0.74 C=CCCCCCN(C)CC 269982a_100000225621_100000700193 [0,1,0,0,0,0|2,0,1]=4 4037 B10R0.74 C=CCCCCNC(=O)CC 11a_100000703577_100000210414 [0,1,0,0,0,0|0,0,2]=3 4038 B10R0.74 C=CCCCCNC(=O)CC 1626a_100000703577_100000210414 [0,1,0,0,0,0|0,0,2]=3 4039 B10R0.74 C=CCCCCNC(=O)CC 240690a_100000703577_100000210414 [0,1,0,0,0,0|0,0,2]=3 4040 B10R0.74 C=CCCCCNC(=O)CC 527a_100000703577_100000210414 [0,1,0,0,0,0|0,0,2]=3 4041 B10R0.74 C=CCCCCNC(=O)CO 240690a_100000703577_100000210174 [0,1,0,0,0,0|1,0,2]=4 4042 B10R0.74 C=CCCCCNC(=O)CO 527a_100000703577_100000210174 [0,1,0,0,0,0|1,0,2]=4 4043 B10R0.74 C=CCCCCNC(=O)NC 2708a_100000703577_106832991635 [0,1,0,0,0,0|1,0,2]=4 4044 B10R0.74 C=CCCCCNC(=O)NC 2708a_100102657272_100000703577 [0,1,0,0,0,0|1,0,2]=4 4045 B10R0.74 C=CCCCCNC(=O)NC 273464a_100000703577_100102657272 [0,1,0,0,0,0|1,0,2]=4 4046 B10R0.74 C=CCCCCNC(=O)NC 273464a_100102657272_100000703577 [0,1,0,0,0,0|1,0,2]=4 4047 B10R0.74 C=CCCCCNC(=O)NC 512a_100000703577_100102657272 [0,1,0,0,0,0|1,0,2]=4 4048 B10R0.74 C=CCCCCNC(=O)NC 512a_106832991638_100000703577 [0,1,0,0,0,0|1,0,2]=4 4049 B10R0.74 C=CCCCNCC(=O)NC 2230a_100000693194_100011713584 [0,1,0,0,0,0|1,0,2]=4 4050 B10R0.74 C=CCCCNCC(=O)NC 2230a_100000700776_100000183359 [0,1,0,0,0,0|1,0,2]=4 4051 B10R0.74 C=CCCCNCC(=O)NC 34a_100000700776_100000183359 [0,1,0,0,0,0|1,0,2]=4 4052 B10R0.74 C=CCCCNCC(=O)OC 2230a_100000700776_100000747449 [0,1,0,0,0,0|1,0,2]=4 4053 B10R0.74 C=CCCCNCC(=O)OC 34a_100000700776_100000747449 [0,1,0,0,0,0|1,0,2]=4 4054 B10R0.74 C=CCCCOCC(=O)CC 34a_100000725409_100000757094 [0,1,0,0,0,0|0,0,2]=3 4055 B10R0.74 C=CCCCOCC(=O)CC 7a_100000758997_100000747405 [0,1,0,0,0,0|0,0,2]=3 4056 B10R0.74 C=CCCCOCC(=O)NC 34a_100000750040_100000757094 [0,1,0,0,0,0|1,0,2]=4 4057 B10R0.74 C=CCCCOCC(=O)NC 34a_100000758997_100000183359 [0,1,0,0,0,0|1,0,2]=4 4058 B10R0.74 C=CCCCOCC(=O)NC 7a_100000758997_100000183359 [0,1,0,0,0,0|1,0,2]=4 4059 B10R0.74 C=CCCCOCC(=O)OC 34a_100000758997_100000747449 [0,1,0,0,0,0|1,0,2]=4 4060 B10R0.74 C=CCCCOCC(=O)OC 7a_100000758997_100000747449 [0,1,0,0,0,0|1,0,2]=4 4061 B10R0.74 C=CCCCSCC(=O)CC 62a_100000747405_100000757094 [0,1,0,0,0,0|0,0,2]=3 4062 B10R0.74 C=CCCCSCC(=O)CC 62a_100011713584_100000747405 [0,1,0,0,0,0|0,0,2]=3 4063 B10R0.74 C=CCCCSCC(=O)NC 62a_100000183359_100000757094 [0,1,0,0,0,0|1,0,2]=4 4064 B10R0.74 C=CCCCSCC(=O)NC 62a_100011713584_100000183359 [0,1,0,0,0,0|1,0,2]=4 4065 B10R0.74 C=CCCCSCC(=O)OC 62a_100000747449_100000757094 [0,1,0,0,0,0|1,0,2]=4 4066 B10R0.74 C=CCCCSCC(=O)OC 62a_100011713584_100000747449 [0,1,0,0,0,0|1,0,2]=4 4067 B10R0.74 C=CCCNCCC(=O)NC 2230a_100000738227_100000754431 [0,1,0,0,0,0|1,0,2]=4 4068 B10R0.74 C=CCCNCCC(=O)NC 2230a_100015191253_100000737683 [0,1,0,0,0,0|1,0,2]=4 4069 B10R0.74 C=CCCNCCC(=O)NC 34a_100000738227_100000754431 [0,1,0,0,0,0|1,0,2]=4 4070 B10R0.74 C=CCCNCCC(=O)OC 2230a_100015191253_100000204255 [0,1,0,0,0,0|1,0,2]=4 4071 B10R0.74 C=CCCOCCC(=O)NC 34a_100000754576_100000754431 [0,1,0,0,0,0|1,0,2]=4 4072 B10R0.74 C=CCCOCCC(=O)NC 34a_100011205117_100012179268 [0,1,0,0,0,0|1,0,2]=4 4073 B10R0.74 C=CCCOCCC(=O)OC 34a_100011205117_100000742370 [0,1,0,0,0,0|1,0,2]=4 4074 B10R0.74 C=CCCSCCC(=O)NC 62a_100000737683_100000754431 [0,1,0,0,0,0|1,0,2]=4 4075 B10R0.74 C=CCCSCCC(=O)NC 62a_100000754431_100000737683 [0,1,0,0,0,0|1,0,2]=4 4076 B10R0.74 C=CCCSCCC(=O)OC 62a_100000204255_100000754431 [0,1,0,0,0,0|1,0,2]=4 4077 B10R0.74 C=CCCSCCC(=O)OC 62a_100000754431_100000204255 [0,1,0,0,0,0|1,0,2]=4 4078 B10R0.74 C=CCNCCCC(=O)NC 2230a_100000740002_100000210623 [0,1,0,0,0,0|1,0,2]=4 4079 B10R0.74 C=CCNCCCC(=O)NC 2230a_100020586998_100000741757 [0,1,0,0,0,0|1,0,2]=4 4080 B10R0.74 C=CCNCCCC(=O)NC 34a_100000740002_100015514636 [0,1,0,0,0,0|1,0,2]=4 4081 B10R0.74 C=CCNCCCC(=O)OC 2230a_100020586998_100011218270 [0,1,0,0,0,0|1,0,2]=4 4082 B10R0.74 C=CCNCCNC(=O)CC 34a_100132302217_100015514636 [0,1,0,0,0,0|1,0,2]=4 4083 B10R0.74 C=CCOCCCC(=O)NC 34a_200000210373_100000741757 [0,1,0,0,0,0|1,0,2]=4 4084 B10R0.74 C=CCOCCCC(=O)OC 34a_200000210373_100000742333 [0,1,0,0,0,0|1,0,2]=4 4085 B10R0.74 C=CCOCCNC(=O)CC 34a_200000158885_100015514636 [0,1,0,0,0,0|1,0,2]=4 4086 B10R0.74 C=CCOCCNC(=O)CC 7a_200000158885_100015514636 [0,1,0,0,0,0|1,0,2]=4 4087 B10R0.74 C=CCOCCOC(=O)CC 7a_200000031056_100015514636 [0,1,0,0,0,0|1,0,2]=4 4088 B10R0.74 C=CCSCCCC(=O)NC 62a_100000210623_100000741757 [0,1,0,0,0,0|1,0,2]=4 4089 B10R0.74 C=CCSCCCC(=O)NC 62a_100000741757_100000210623 [0,1,0,0,0,0|1,0,2]=4 4090 B10R0.74 C=CCSCCCC(=O)OC 62a_100000210623_100011218270 [0,1,0,0,0,0|1,0,2]=4 4091 B10R0.74 C=CCSCCCC(=O)OC 62a_100011218270_100000210623 [0,1,0,0,0,0|1,0,2]=4 4092 B10R0.74 C=COCCCNC(=O)CC 11a_100000210767_100000210414 [0,1,0,0,0,0|1,0,2]=4 4093 B10R0.74 C=COCCCNC(=O)CC 1626a_100000210767_100000210414 [0,1,0,0,0,0|1,0,2]=4 4094 B10R0.74 C=COCCCNC(=O)CC 240690a_100000210767_100000210414 [0,1,0,0,0,0|1,0,2]=4 4095 B10R0.74 C=COCCCNC(=O)CC 527a_100000210767_100000210414 [0,1,0,0,0,0|1,0,2]=4 4096 B10R0.74 C=COCCOCC(=O)CC 34a_100000725409_100000039644 [0,1,0,0,0,0|1,0,2]=4 4097 B10R0.74 C=COCCSCC(=O)CC 62a_100000039644_100000747405 [0,1,0,0,0,0|1,0,2]=4 4098 B10R0.74 C=COCCSCC(=O)CC 62a_100000747405_100000039644 [0,1,0,0,0,0|1,0,2]=4 4099 B10R0.74 CC#CCCOCC(=O)NC 34a_100000750427_100000183359 [0,1,0,0,0,0|1,0,2]=4 4100 B10R0.74 CC#CCCOCC(=O)OC 34a_100000750427_100000747449 [0,1,0,0,0,0|1,0,2]=4 4101 B10R0.74 CC#CCNCCC(=O)NC 2230a_100000685387_100000737683 [0,1,0,0,0,0|1,0,2]=4 4102 B10R0.74 CC#CCNCCC(=O)NC 2230a_100000738227_100000748600 [0,1,0,0,0,0|1,0,2]=4 4103 B10R0.74 CC#CCNCCC(=O)NC 34a_100000685387_100012179268 [0,1,0,0,0,0|1,0,2]=4 4104 B10R0.74 CC#CCNCCC(=O)NC 34a_100000738227_100000748600 [0,1,0,0,0,0|1,0,2]=4 4105 B10R0.74 CC#CCNCCC(=O)OC 2230a_100000685387_100000204255 [0,1,0,0,0,0|1,0,2]=4 4106 B10R0.74 CC#CCNCCC(=O)OC 34a_100000685387_100000742370 [0,1,0,0,0,0|1,0,2]=4 4107 B10R0.74 CC#CCOCCC(=O)NC 34a_100000754576_100000748600 [0,1,0,0,0,0|1,0,2]=4 4108 B10R0.74 CC#CCOCCC(=O)NC 34a_100000761923_100012179268 [0,1,0,0,0,0|1,0,2]=4 4109 B10R0.74 CC#CCOCCC(=O)OC 34a_100000761923_100000742370 [0,1,0,0,0,0|1,0,2]=4 4110 B10R0.74 CC#CCSCCC(=O)NC 62a_100000737683_100000748600 [0,1,0,0,0,0|1,0,2]=4 4111 B10R0.74 CC#CCSCCC(=O)NC 62a_100000748600_100000737683 [0,1,0,0,0,0|1,0,2]=4 4112 B10R0.74 CC#CCSCCC(=O)OC 62a_100000204255_100000748600 [0,1,0,0,0,0|1,0,2]=4 4113 B10R0.74 CC#CCSCCC(=O)OC 62a_100000748600_100000204255 [0,1,0,0,0,0|1,0,2]=4 4114 B10R0.74 CC/C=C\CNCC(=O)NC 2230a_100000693194_100103147603 [0,1,0,0,0,0|1,0,2]=4 4115 B10R0.74 CC/C=C\COCC(=O)CC 34a_100000725409_100103147603 [0,1,0,0,0,0|0,0,2]=3 4116 B10R0.74 CC/C=C\COCC(=O)NC 34a_100000750040_100103147603 [0,1,0,0,0,0|1,0,2]=4 4117 B10R0.74 CC/C=C\COCC(=O)NC 34a_100016268518_100000183359 [0,1,0,0,0,0|1,0,2]=4 4118 B10R0.74 CC/C=C\COCC(=O)OC 34a_100016268518_100000747449 [0,1,0,0,0,0|1,0,2]=4 4119 B10R0.74 CC/C=C\CSCC(=O)CC 62a_100000747405_100103147603 [0,1,0,0,0,0|0,0,2]=3 4120 B10R0.74 CC/C=C\CSCC(=O)CC 62a_100103147603_100000747405 [0,1,0,0,0,0|0,0,2]=3 4121 B10R0.74 CC/C=C\CSCC(=O)NC 62a_100000183359_100103147603 [0,1,0,0,0,0|1,0,2]=4 4122 B10R0.74 CC/C=C\CSCC(=O)NC 62a_100103147603_100000183359 [0,1,0,0,0,0|1,0,2]=4 4123 B10R0.74 CC/C=C\CSCC(=O)OC 62a_100000747449_100103147603 [0,1,0,0,0,0|1,0,2]=4 4124 B10R0.74 CC/C=C\CSCC(=O)OC 62a_100103147603_100000747449 [0,1,0,0,0,0|1,0,2]=4 4125 B10R0.74 CC=CCNCCC(=O)NC 2230a_100000738227_100000070051 [0,1,0,0,0,0|1,0,2]=4 4126 B10R0.74 CC=CCNCCC(=O)NC 34a_100000738227_100000070051 [0,1,0,0,0,0|1,0,2]=4 4127 B10R0.74 CC=CCOCCC(=O)NC 34a_100000754576_100000070051 [0,1,0,0,0,0|1,0,2]=4 4128 B10R0.74 CC=CCSCCC(=O)NC 62a_100000070051_100000737683 [0,1,0,0,0,0|1,0,2]=4 4129 B10R0.74 CC=CCSCCC(=O)NC 62a_100000737683_100000070051 [0,1,0,0,0,0|1,0,2]=4 4130 B10R0.74 CC=CCSCCC(=O)OC 62a_100000070051_100000204255 [0,1,0,0,0,0|1,0,2]=4 4131 B10R0.74 CC=CCSCCC(=O)OC 62a_100000204255_100000070051 [0,1,0,0,0,0|1,0,2]=4 4132 B10R0.74 CCC#CCNCC(=O)NC 2230a_100000693194_100009813939 [0,1,0,0,0,0|1,0,2]=4 4133 B10R0.74 CCC#CCOCC(=O)CC 34a_100000725409_100009813939 [0,1,0,0,0,0|0,0,2]=3 4134 B10R0.74 CCC#CCOCC(=O)NC 34a_100000032950_100000183359 [0,1,0,0,0,0|1,0,2]=4 4135 B10R0.74 CCC#CCOCC(=O)NC 34a_100000750040_100009813939 [0,1,0,0,0,0|1,0,2]=4 4136 B10R0.74 CCC#CCOCC(=O)OC 34a_100000032950_100000747449 [0,1,0,0,0,0|1,0,2]=4 4137 B10R0.74 CCC#CCSCC(=O)CC 62a_100000747405_100009813939 [0,1,0,0,0,0|0,0,2]=3 4138 B10R0.74 CCC#CCSCC(=O)CC 62a_100009813939_100000747405 [0,1,0,0,0,0|0,0,2]=3 4139 B10R0.74 CCC#CCSCC(=O)NC 62a_100000183359_100009813939 [0,1,0,0,0,0|1,0,2]=4 4140 B10R0.74 CCC#CCSCC(=O)NC 62a_100009813939_100000183359 [0,1,0,0,0,0|1,0,2]=4 4141 B10R0.74 CCC#CCSCC(=O)OC 62a_100000747449_100009813939 [0,1,0,0,0,0|1,0,2]=4 4142 B10R0.74 CCC#CCSCC(=O)OC 62a_100009813939_100000747449 [0,1,0,0,0,0|1,0,2]=4 4143 B10R0.74 CCC(=O)CCCCCC#N 1458a_100000210414_100009813376 [0,1,0,0,0,0|0,0,1]=2 4144 B10R0.74 CCC(=O)CCCCCCF 1458a_100000210414_100015922095 [0,1,0,0,0,0|0,0,0]=1 4145 B10R0.74 CCC(=O)CCCCCCO 1458a_100000210414_100000766143 [0,1,0,0,0,0|0,0,0]=1 4146 B10R0.74 CCC(=O)CCCCCCO 1458a_100011996774_100000210202 [0,1,0,0,0,0|0,0,0]=1 4147 B10R0.74 CCC(=O)CCCCCOC 1458a_100011935119_100000210202 [0,1,0,0,0,0|0,0,0]=1 4148 B10R0.74 CCC(=O)CCCCN=[N+]=[N-] 1458a_100000070148_100000210202 [0,1,0,0,0,0|2,0,0]=3 4149 B10R0.74 CCC(=O)CCOCCOC 1458a_100000210414_100000695917 [0,1,0,0,0,0|1,0,0]=2 4150 B10R0.74 CCC(=O)CCOCCOC 1458a_100000745395_100000210202 [0,1,0,0,0,0|1,0,0]=2 4151 B10R0.74 CCC(=O)COCC#CCO 34a_100000725409_200000047223 [0,1,0,0,0,0|1,0,2]=4 4152 B10R0.74 CCC(=O)COCCCCCl 7a_100000210776_100000747405 [0,1,0,0,0,0|1,0,0]=2 4153 B10R0.74 CCC(=O)COCCCCF 34a_100000725409_100000729493 [0,1,0,0,0,0|1,0,0]=2 4154 B10R0.74 CCC(=O)COCCCCF 7a_100011995726_100000747405 [0,1,0,0,0,0|1,0,0]=2 4155 B10R0.74 CCC(=O)COCCCCO 34a_100000725409_100011216708 [0,1,0,0,0,0|1,0,0]=2 4156 B10R0.74 CCC(=O)COCCCOC 34a_100000725409_100000740836 [0,1,0,0,0,0|1,0,0]=2 4157 B10R0.74 CCC(=O)COCCCSC 7a_100000690336_100000747405 [0,1,0,0,0,0|1,0,0]=2 4158 B10R0.74 CCC(=O)CSCC#CCO 62a_100000747405_200000047223 [0,1,0,0,0,0|1,0,2]=4 4159 B10R0.74 CCC(=O)CSCC#CCO 62a_200000047223_100000747405 [0,1,0,0,0,0|1,0,2]=4 4160 B10R0.74 CCC(=O)CSCCCC#N 62a_100000687738_100000747405 [0,1,0,0,0,0|1,0,1]=3 4161 B10R0.74 CCC(=O)CSCCCC#N 62a_100000747405_100000687738 [0,1,0,0,0,0|1,0,1]=3 4162 B10R0.74 CCC(=O)CSCCCC=O 62a_100000747405_200011292268 [0,1,0,0,0,0|1,0,1]=3 4163 B10R0.74 CCC(=O)CSCCCC=O 62a_200011292268_100000747405 [0,1,0,0,0,0|1,0,1]=3 4164 B10R0.74 CCC(=O)CSCCCCF 62a_100000729493_100000747405 [0,1,0,0,0,0|1,0,0]=2 4165 B10R0.74 CCC(=O)CSCCCCF 62a_100000747405_100000729493 [0,1,0,0,0,0|1,0,0]=2 4166 B10R0.74 CCC(=O)CSCCCCO 62a_100000210776_100000747405 [0,1,0,0,0,0|1,0,0]=2 4167 B10R0.74 CCC(=O)CSCCCCO 62a_100000747405_100000210776 [0,1,0,0,0,0|1,0,0]=2 4168 B10R0.74 CCC(=O)CSCCCOC 62a_100000709357_100000747405 [0,1,0,0,0,0|1,0,0]=2 4169 B10R0.74 CCC(=O)CSCCCOC 62a_100000747405_100000709357 [0,1,0,0,0,0|1,0,0]=2 4170 B10R0.74 CCC(=O)CSCCSC#N 62a_100000034367_100000747405 [0,1,0,0,0,0|2,0,1]=4 4171 B10R0.74 CCC(=O)CSCCSC#N 62a_100000747405_100000034367 [0,1,0,0,0,0|2,0,1]=4 4172 B10R0.74 CCC(=O)NCCCCC#N 11a_100000751965_100000210414 [0,1,0,0,0,0|1,0,1]=3 4173 B10R0.74 CCC(=O)NCCCCC#N 1626a_100000751965_100000210414 [0,1,0,0,0,0|1,0,1]=3 4174 B10R0.74 CCC(=O)NCCCCC#N 240690a_100000751965_100000210414 [0,1,0,0,0,0|1,0,1]=3 4175 B10R0.74 CCC(=O)NCCCCC#N 527a_100000751965_100000210414 [0,1,0,0,0,0|1,0,1]=3 4176 B10R0.74 CCC(=O)NCCCCCO 240690a_100000762737_100000210414 [0,1,0,0,0,0|1,0,0]=2 4177 B10R0.74 CCC(=O)NCCCN=[N+]=[N-] 240690a_100000744732_100000210414 [0,1,0,0,0,0|3,0,0]=4 4178 B10R0.74 CCC(=O)NCCNCC=O 34a_100132302217_200009817547 [0,1,0,0,0,0|2,0,1]=4 4179 B10R0.74 CCC(=O)NCCNCCF 34a_100132302217_100011217306 [0,1,0,0,0,0|2,0,0]=3 4180 B10R0.74 CCC(=O)NCCNCCO 34a_100132302217_100000211926 [0,1,0,0,0,0|2,0,0]=3 4181 B10R0.74 CCC(=O)NCCNCSC 34a_100132302217_100011218213 [0,1,0,0,0,0|2,0,0]=3 4182 B10R0.74 CCC(=O)NCCOCC#N 7a_200000158885_100011215382 [0,1,0,0,0,0|2,0,1]=4 4183 B10R0.74 CCC(=O)NCCOCC=O 34a_200000158885_200009817547 [0,1,0,0,0,0|2,0,1]=4 4184 B10R0.74 CCC(=O)NCCOCC=O 7a_200000158885_200015260668 [0,1,0,0,0,0|2,0,1]=4 4185 B10R0.74 CCC(=O)NCCOCCF 34a_200000158885_100011217306 [0,1,0,0,0,0|2,0,0]=3 4186 B10R0.74 CCC(=O)NCCOCCF 7a_200000158885_100011217306 [0,1,0,0,0,0|2,0,0]=3 4187 B10R0.74 CCC(=O)NCCOCCO 240690a_100000211614_100000210414 [0,1,0,0,0,0|2,0,0]=3 4188 B10R0.74 CCC(=O)NCCOCCO 34a_200000158885_100000211926 [0,1,0,0,0,0|2,0,0]=3 4189 B10R0.74 CCC(=O)NCCOCCO 7a_200000158885_100000211926 [0,1,0,0,0,0|2,0,0]=3 4190 B10R0.74 CCC(=O)NCCOCSC 34a_200000158885_100011218213 [0,1,0,0,0,0|2,0,0]=3 4191 B10R0.74 CCC(=O)NCCSCCO 240690a_100011219999_100000210414 [0,1,0,0,0,0|2,0,0]=3 4192 B10R0.74 CCC(=O)NCCSCCO 527a_100011219999_100000210414 [0,1,0,0,0,0|2,0,0]=3 4193 B10R0.74 CCC(=O)NN=CCCSC 4a_100000183195_100000210997 [0,1,0,0,0,0|2,0,1]=4 4194 B10R0.74 CCC(=O)NNCCCOC 22a_100025702787_100000210414 [0,1,0,0,0,0|2,0,0]=3 4195 B10R0.74 CCC(=O)OCCOCC#N 7a_200000031056_100011215382 [0,1,0,0,0,0|2,0,1]=4 4196 B10R0.74 CCC(=O)OCCOCC=O 7a_200000031056_200015260668 [0,1,0,0,0,0|2,0,1]=4 4197 B10R0.74 CCC(=O)OCCOCCF 7a_200000031056_100011217306 [0,1,0,0,0,0|2,0,0]=3 4198 B10R0.74 CCC(=O)OCCOCCO 7a_200000031056_100000211926 [0,1,0,0,0,0|2,0,0]=3 4199 B10R0.74 CCC(C)CCCCCOC 7a_200000035636_200000210301 [0,1,0,0,0,0|1,0,1]=3 4200 B10R0.74 CCC(C)CCCCCO[13CH3] 7a_200000035636_200025704644 [0,1,0,0,0,0|1,0,1]=3 4201 B10R0.74 CCC(C)CCCOCCF 7a_100011216074_100011217306 [0,1,0,0,0,0|2,0,1]=4 4202 B10R0.74 CCC(C)CCCOCCO 7a_100011216074_100000211926 [0,1,0,0,0,0|2,0,1]=4 4203 B10R0.74 CCC(C)CCNCCCF 2230a_100020591266_100011934791 [0,1,0,0,0,0|2,0,1]=4 4204 B10R0.74 CCC(C)CCNCCCO 2230a_100020591266_100000230001 [0,1,0,0,0,0|2,0,1]=4 4205 B10R0.74 CCC(C)CCNCCOC 2230a_100020591266_100011201679 [0,1,0,0,0,0|2,0,1]=4 4206 B10R0.74 CCC(C)CCNCCSC 2230a_100020591266_100000751147 [0,1,0,0,0,0|2,0,1]=4 4207 B10R0.74 CCC(C)CCOCCCF 7a_100011215188_100011934791 [0,1,0,0,0,0|2,0,1]=4 4208 B10R0.74 CCC(C)CCOCCCO 7a_100011215188_100011215043 [0,1,0,0,0,0|2,0,1]=4 4209 B10R0.74 CCC(C)CCOCCOC 7a_100011215188_100000233755 [0,1,0,0,0,0|2,0,1]=4 4210 B10R0.74 CCC(C)CCOCCSC 7a_100011215188_100000212216 [0,1,0,0,0,0|2,0,1]=4 4211 B10R0.74 CCC(C)CNCCCCF 2230a_100020588543_100000729493 [0,1,0,0,0,0|2,0,1]=4 4212 B10R0.74 CCC(C)CNCCCCO 2230a_100000750430_100000748023 [0,1,0,0,0,0|2,0,1]=4 4213 B10R0.74 CCC(C)CNCCCCO 2230a_100020588543_100000210776 [0,1,0,0,0,0|2,0,1]=4 4214 B10R0.74 CCC(C)CNCCCCO 270004a_100000750430_100000243153 [0,1,0,0,0,0|2,0,1]=4 4215 B10R0.74 CCC(C)CNCCCCO 34a_100000750430_100000748023 [0,1,0,0,0,0|2,0,1]=4 4216 B10R0.74 CCC(C)CNCCCOC 2230a_100020588543_100000740836 [0,1,0,0,0,0|2,0,1]=4 4217 B10R0.74 CCC(C)CNCCCOC 270004a_100150723488_100000243153 [0,1,0,0,0,0|2,0,1]=4 4218 B10R0.74 CCC(C)CNCCCOC 34a_100150723488_100000748023 [0,1,0,0,0,0|2,0,1]=4 4219 B10R0.74 CCC(C)CNCCCSC 2230a_100000749238_100000748023 [0,1,0,0,0,0|2,0,1]=4 4220 B10R0.74 CCC(C)CNCCCSC 270004a_100000749238_100000243153 [0,1,0,0,0,0|2,0,1]=4 4221 B10R0.74 CCC(C)COCCCCBr 34a_100011216708_100000748023 [0,1,0,0,0,0|2,0,1]=4 4222 B10R0.74 CCC(C)COCCCCCl 34a_100000210776_100000748023 [0,1,0,0,0,0|2,0,1]=4 4223 B10R0.74 CCC(C)COCCCCCl 7a_100000210776_100000748023 [0,1,0,0,0,0|2,0,1]=4 4224 B10R0.74 CCC(C)COCCCCF 34a_100011995726_100000748023 [0,1,0,0,0,0|2,0,1]=4 4225 B10R0.74 CCC(C)COCCCCF 7a_100011995726_100000748023 [0,1,0,0,0,0|2,0,1]=4 4226 B10R0.74 CCC(C)COCCCCI 34a_200012148704_100000748023 [0,1,0,0,0,0|2,0,1]=4 4227 B10R0.74 CCC(C)COCCCCN 34a_100000750430_100000748023 [0,1,0,0,0,0|2,0,1]=4 4228 B10R0.74 CCC(C)COCCCNC 34a_100000213112_100000748023 [0,1,0,0,0,0|2,0,1]=4 4229 B10R0.74 CCC(C)COCCCOC 34a_100000740835_100000748023 [0,1,0,0,0,0|2,0,1]=4 4230 B10R0.74 CCC(C)COCCCSC 34a_100000690336_100000748023 [0,1,0,0,0,0|2,0,1]=4 4231 B10R0.74 CCC(C)COCCCSC 7a_100000690336_100000748023 [0,1,0,0,0,0|2,0,1]=4 4232 B10R0.74 CCC(C)CSCCCCF 62a_100000729493_100000748023 [0,1,0,0,0,0|2,0,1]=4 4233 B10R0.74 CCC(C)CSCCCCF 62a_100000748023_100000729493 [0,1,0,0,0,0|2,0,1]=4 4234 B10R0.74 CCC(C)CSCCCCO 62a_100000210776_100000748023 [0,1,0,0,0,0|2,0,1]=4 4235 B10R0.74 CCC(C)CSCCCCO 62a_100000748023_100000210776 [0,1,0,0,0,0|2,0,1]=4 4236 B10R0.74 CCC(C)CSCCCOC 62a_100000709357_100000748023 [0,1,0,0,0,0|2,0,1]=4 4237 B10R0.74 CCC(C)CSCCCOC 62a_100000748023_100000709357 [0,1,0,0,0,0|2,0,1]=4 4238 B10R0.74 CCC(C)NCCCCCF 2230a_100000209981_100000729378 [0,1,0,0,0,0|2,0,1]=4 4239 B10R0.74 CCC(C)NCCCCCO 2230a_100000209981_100000746330 [0,1,0,0,0,0|2,0,1]=4 4240 B10R0.74 CCC(C)NCCCCCO 2230a_100000762737_100000758301 [0,1,0,0,0,0|2,0,1]=4 4241 B10R0.74 CCC(C)NCCCCCO 34a_100000762737_100011215416 [0,1,0,0,0,0|2,0,1]=4 4242 B10R0.74 CCC(C)NCCCCOC 2230a_100000209981_100000730899 [0,1,0,0,0,0|2,0,1]=4 4243 B10R0.74 CCC(C)OCCCCCBr 34a_100000746331_100011215416 [0,1,0,0,0,0|2,0,1]=4 4244 B10R0.74 CCC(C)OCCCCCBr 7a_100000746331_100000758301 [0,1,0,0,0,0|2,0,1]=4 4245 B10R0.74 CCC(C)OCCCCCCl 34a_100000746330_100011215416 [0,1,0,0,0,0|2,0,1]=4 4246 B10R0.74 CCC(C)OCCCCCCl 7a_100000746330_100000758301 [0,1,0,0,0,0|2,0,1]=4 4247 B10R0.74 CCC(C)OCCCCCF 7a_100000210228_100000729378 [0,1,0,0,0,0|2,0,1]=4 4248 B10R0.74 CCC(C)OCCCCCI 34a_200012148887_100011215416 [0,1,0,0,0,0|2,0,1]=4 4249 B10R0.74 CCC(C)OCCCCCI 7a_200012148887_100000758301 [0,1,0,0,0,0|2,0,1]=4 4250 B10R0.74 CCC(C)OCCCCCN 34a_100000762737_100011215416 [0,1,0,0,0,0|2,0,1]=4 4251 B10R0.74 CCC(C)OCCCCCO 7a_100000210228_100000746330 [0,1,0,0,0,0|2,0,1]=4 4252 B10R0.74 CCC(C)OCCCCOC 34a_100000740925_100011215416 [0,1,0,0,0,0|2,0,1]=4 4253 B10R0.74 CCC(C)OCCCCOC 7a_100000210228_100000730899 [0,1,0,0,0,0|2,0,1]=4 4254 B10R0.74 CCC(C)OCCCCSC 34a_100011217163_100011215416 [0,1,0,0,0,0|2,0,1]=4 4255 B10R0.74 CCC(C)OCCCCSC 7a_100011217163_100000758301 [0,1,0,0,0,0|2,0,1]=4 4256 B10R0.74 CCC(C)SCCCCCF 62a_100000729378_100000758301 [0,1,0,0,0,0|2,0,1]=4 4257 B10R0.74 CCC(C)SCCCCCF 62a_100000758301_100000729378 [0,1,0,0,0,0|2,0,1]=4 4258 B10R0.74 CCC(C)SCCCCCO 62a_100000746330_100000758301 [0,1,0,0,0,0|2,0,1]=4 4259 B10R0.74 CCC(C)SCCCCCO 62a_100000758301_100000746330 [0,1,0,0,0,0|2,0,1]=4 4260 B10R0.74 CCC(C)SCCCCOC 62a_100000730899_100000758301 [0,1,0,0,0,0|2,0,1]=4 4261 B10R0.74 CCC(C)SCCCCOC 62a_100000758301_100000730899 [0,1,0,0,0,0|2,0,1]=4 4262 B10R0.74 CCC(O)CNCCCCF 2230a_100011218483_100000729493 [0,1,0,0,0,0|1,0,2]=4 4263 B10R0.74 CCC(O)CNCCCCO 2230a_100000750430_100011218378 [0,1,0,0,0,0|1,0,2]=4 4264 B10R0.74 CCC(O)CNCCCCO 2230a_100011218483_100000210776 [0,1,0,0,0,0|1,0,2]=4 4265 B10R0.74 CCC(O)CNCCCCO 34a_100000750430_100011218378 [0,1,0,0,0,0|1,0,2]=4 4266 B10R0.74 CCC(O)CNCCCOC 2230a_100011218483_100000740836 [0,1,0,0,0,0|1,0,2]=4 4267 B10R0.74 CCC(O)CNCCCOC 34a_100150723488_100011218378 [0,1,0,0,0,0|1,0,2]=4 4268 B10R0.74 CCC(O)CNCCCSC 2230a_100000749238_100011218378 [0,1,0,0,0,0|1,0,2]=4 4269 B10R0.74 CCC(O)COCCCCBr 34a_100011216708_100011218378 [0,1,0,0,0,0|1,0,2]=4 4270 B10R0.74 CCC(O)COCCCCCl 34a_100000210776_100011218378 [0,1,0,0,0,0|1,0,2]=4 4271 B10R0.74 CCC(O)COCCCCCl 7a_100000210776_100011218378 [0,1,0,0,0,0|1,0,2]=4 4272 B10R0.74 CCC(O)COCCCCF 34a_100011995726_100011218378 [0,1,0,0,0,0|1,0,2]=4 4273 B10R0.74 CCC(O)COCCCCF 7a_100011995726_100011218378 [0,1,0,0,0,0|1,0,2]=4 4274 B10R0.74 CCC(O)COCCCCI 34a_200012148704_100011218378 [0,1,0,0,0,0|1,0,2]=4 4275 B10R0.74 CCC(O)COCCCCN 34a_100000750430_100011218378 [0,1,0,0,0,0|1,0,2]=4 4276 B10R0.74 CCC(O)COCCCNC 34a_100000213112_100011218378 [0,1,0,0,0,0|1,0,2]=4 4277 B10R0.74 CCC(O)COCCCOC 34a_100000740835_100011218378 [0,1,0,0,0,0|1,0,2]=4 4278 B10R0.74 CCC(O)COCCCSC 34a_100000690336_100011218378 [0,1,0,0,0,0|1,0,2]=4 4279 B10R0.74 CCC(O)COCCCSC 7a_100000690336_100011218378 [0,1,0,0,0,0|1,0,2]=4 4280 B10R0.74 CCC(O)CSCCCCF 62a_100000729493_100011218378 [0,1,0,0,0,0|1,0,2]=4 4281 B10R0.74 CCC(O)CSCCCCF 62a_100011218378_100000729493 [0,1,0,0,0,0|1,0,2]=4 4282 B10R0.74 CCC(O)CSCCCCO 62a_100000210776_100011218378 [0,1,0,0,0,0|1,0,2]=4 4283 B10R0.74 CCC(O)CSCCCCO 62a_100011218378_100000210776 [0,1,0,0,0,0|1,0,2]=4 4284 B10R0.74 CCC(O)CSCCCOC 62a_100000709357_100011218378 [0,1,0,0,0,0|1,0,2]=4 4285 B10R0.74 CCC(O)CSCCCOC 62a_100011218378_100000709357 [0,1,0,0,0,0|1,0,2]=4 4286 B10R0.74 CCC/C=C/C=CC(=O)CC 1458a_200016258893_100000210202 [0,1,0,0,0,0|0,0,3]=4 4287 B10R0.74 CCCC/C=C/CC(=O)CC 1458a_200016282684_100000210202 [0,1,0,0,0,0|0,0,1]=2 4288 B10R0.74 CCCC/C=C/CC(=O)CF 1458a_200016282684_100015361967 [0,1,0,0,0,0|1,0,1]=3 4289 B10R0.74 CCCC/C=C/CC(=O)NC 11a_106832991635_200016282684 [0,1,0,0,0,0|1,0,1]=3 4290 B10R0.74 CCCC/C=C/CC(=O)NC 1626a_100102657272_200016282684 [0,1,0,0,0,0|1,0,1]=3 4291 B10R0.74 CCCC/C=C/CC(=O)NC 240690a_100102657272_200016282684 [0,1,0,0,0,0|1,0,1]=3 4292 B10R0.74 CCCC/C=C/CC(=O)NC 527a_100102657272_200016282684 [0,1,0,0,0,0|1,0,1]=3 4293 B10R0.74 CCCCC=NNC(=O)CC 4a_100000183195_100000210104 [0,1,0,0,0,0|1,0,1]=3 4294 B10R0.74 CCCCCC#CC(=O)CC 1458a_100011215388_100000210202 [0,1,0,0,0,0|0,0,1]=2 4295 B10R0.74 CCCCCC#CC(=O)CF 1458a_100011215388_100015361967 [0,1,0,0,0,0|1,0,1]=3 4296 B10R0.74 CCCCCC#CC(=O)NC 240690a_100102657272_100011215388 [0,1,0,0,0,0|1,0,1]=3 4297 B10R0.74 CCCCCC=CC(=O)CC 1458a_100016263427_100000210202 [0,1,0,0,0,0|0,0,1]=2 4298 B10R0.74 CCCCCC=CC(=O)CF 1458a_100016263427_100015361967 [0,1,0,0,0,0|1,0,1]=3 4299 B10R0.74 CCCCCC=CC(=O)NC 11a_106832991635_100016263427 [0,1,0,0,0,0|1,0,1]=3 4300 B10R0.74 CCCCCC=CC(=O)NC 1626a_100102657272_100016263427 [0,1,0,0,0,0|1,0,1]=3 4301 B10R0.74 CCCCCC=CC(=O)NC 240690a_100102657272_100016263427 [0,1,0,0,0,0|1,0,1]=3 4302 B10R0.74 CCCCCCCC(=O)CC 1458a_100000210414_100000210614 [0,1,0,0,0,0|0,0,0]=1 4303 B10R0.74 CCCCCCCC(=O)CC 1458a_100000211969_100000210202 [0,1,0,0,0,0|0,0,0]=1 4304 B10R0.74 CCCCCCCC(=O)CF 1458a_100000211969_100015361967 [0,1,0,0,0,0|1,0,0]=2 4305 B10R0.74 CCCCCCCC(=O)CO 1458a_100000210174_100000210614 [0,1,0,0,0,0|1,0,0]=2 4306 B10R0.74 CCCCCCCC(=O)NC 11a_106832991635_100000211969 [0,1,0,0,0,0|1,0,0]=2 4307 B10R0.74 CCCCCCCC(=O)NC 1626a_100102657272_100000211969 [0,1,0,0,0,0|1,0,0]=2 4308 B10R0.74 CCCCCCCC(=O)NC 240690a_100102657272_100000211969 [0,1,0,0,0,0|1,0,0]=2 4309 B10R0.74 CCCCCCCC(=O)NC 527a_100102657272_100000211969 [0,1,0,0,0,0|1,0,0]=2 4310 B10R0.74 CCCCCCCC(C)NC 2230a_106832991635_200011218727 [0,1,0,0,0,0|2,0,1]=4 4311 B10R0.74 CCCCCCCC(C)NC 270004a_106832991635_100000210596 [0,1,0,0,0,0|2,0,1]=4 4312 B10R0.74 CCCCCCCC(C)NC 34a_100102657272_200011218727 [0,1,0,0,0,0|2,0,1]=4 4313 B10R0.74 CCCCCCCC(C)NC 7a_106832991635_200011218727 [0,1,0,0,0,0|2,0,1]=4 4314 B10R0.74 CCCCCCCC(C)OC 34a_100138415774_200011218727 [0,1,0,0,0,0|2,0,1]=4 4315 B10R0.74 CCCCCCCC(C)OC 34a_200011215852_200000210301 [0,1,0,0,0,0|2,0,1]=4 4316 B10R0.74 CCCCCCCC(C)OC 7a_200011215852_200000210301 [0,1,0,0,0,0|2,0,1]=4 4317 B10R0.74 CCCCCCCC(C)O[13CH3] 34a_200011215852_200025704644 [0,1,0,0,0,0|2,0,1]=4 4318 B10R0.74 CCCCCCCC(C)O[13CH3] 7a_200011215852_200025704644 [0,1,0,0,0,0|2,0,1]=4 4319 B10R0.74 CCCCCCCC(C)SC 62a_200000210301_200011218727 [0,1,0,0,0,0|2,0,1]=4 4320 B10R0.74 CCCCCCCC(C)SC 62a_200011218727_200000210301 [0,1,0,0,0,0|2,0,1]=4 4321 B10R0.74 CCCCCCCC(C)S[13CH3] 62a_200011218727_200025704644 [0,1,0,0,0,0|2,0,1]=4 4322 B10R0.74 CCCCCCCC(C)S[13CH3] 62a_200025704644_200011218727 [0,1,0,0,0,0|2,0,1]=4 4323 B10R0.74 CCCCCCCN(C)CC 2230a_100000225621_100000210681 [0,1,0,0,0,0|2,0,0]=3 4324 B10R0.74 CCCCCCCN(C)CC 2230a_100000228206_100000210202 [0,1,0,0,0,0|2,0,0]=3 4325 B10R0.74 CCCCCCCN(C)CC 2230a_100000228213_200000210301 [0,1,0,0,0,0|2,0,0]=3 4326 B10R0.74 CCCCCCCN(C)CC 269982a_100000225621_100000210681 [0,1,0,0,0,0|2,0,0]=3 4327 B10R0.74 CCCCCCCN(C)CC 269982a_100000228206_100000204670 [0,1,0,0,0,0|2,0,0]=3 4328 B10R0.74 CCCCCCCN(C)CC 269982a_100000228213_200000210301 [0,1,0,0,0,0|2,0,0]=3 4329 B10R0.74 CCCCCCCN(C)CF 269982a_100000228206_100015361967 [0,1,0,0,0,0|3,0,0]=4 4330 B10R0.74 CCCCCCCN([13CH3])CC 2230a_100000228213_200025704644 [0,1,0,0,0,0|2,0,0]=3 4331 B10R0.74 CCCCCCCN([13CH3])CC 269982a_100000228213_200025704644 [0,1,0,0,0,0|2,0,0]=3 4332 B10R0.74 CCCCCCNC(=O)CC 11a_100000210581_100000210414 [0,1,0,0,0,0|0,0,0]=1 4333 B10R0.74 CCCCCCNC(=O)CC 1626a_100000210581_100000210414 [0,1,0,0,0,0|0,0,0]=1 4334 B10R0.74 CCCCCCNC(=O)CC 240690a_100000210581_100000210414 [0,1,0,0,0,0|0,0,0]=1 4335 B10R0.74 CCCCCCNC(=O)CC 527a_100000210581_100000210414 [0,1,0,0,0,0|0,0,0]=1 4336 B10R0.74 CCCCCCNC(=O)CO 240690a_100000210581_100000210174 [0,1,0,0,0,0|1,0,0]=2 4337 B10R0.74 CCCCCCNC(=O)CO 527a_100000210581_100000210174 [0,1,0,0,0,0|1,0,0]=2 4338 B10R0.74 CCCCCCNC(=O)NC 2708a_100000210581_106832991635 [0,1,0,0,0,0|1,0,0]=2 4339 B10R0.74 CCCCCCNC(=O)NC 2708a_100102657272_100000210581 [0,1,0,0,0,0|1,0,0]=2 4340 B10R0.74 CCCCCCNC(=O)NC 273464a_100000210581_100102657272 [0,1,0,0,0,0|1,0,0]=2 4341 B10R0.74 CCCCCCNC(=O)NC 273464a_100102657272_100000210581 [0,1,0,0,0,0|1,0,0]=2 4342 B10R0.74 CCCCCCNC(=O)NC 512a_100000210581_100102657272 [0,1,0,0,0,0|1,0,0]=2 4343 B10R0.74 CCCCCCNC(=O)NC 512a_106832991638_100000210581 [0,1,0,0,0,0|1,0,0]=2 4344 B10R0.74 CCCCCCNC(C)CC 2230a_100000209981_100000210314 [0,1,0,0,0,0|1,0,1]=3 4345 B10R0.74 CCCCCCNC(C)CC 2230a_100000210581_100000758301 [0,1,0,0,0,0|1,0,1]=3 4346 B10R0.74 CCCCCCNC(C)CO 2230a_100000210581_100012180447 [0,1,0,0,0,0|2,0,1]=4 4347 B10R0.74 CCCCCCN[C@H](C)CO 2230a_100000737577_100000210314 [0,1,0,0,0,0|2,0,1]=4 4348 B10R0.74 CCCCCCOC(C)CC 34a_100000210259_100011215416 [0,1,0,0,0,0|1,0,1]=3 4349 B10R0.74 CCCCCCOC(C)CC 7a_100000210228_100000210314 [0,1,0,0,0,0|1,0,1]=3 4350 B10R0.74 CCCCCCOC(C)CC 7a_100000210259_100000758301 [0,1,0,0,0,0|1,0,1]=3 4351 B10R0.74 CCCCCCOC(C)CF 34a_100016041109_100000210314 [0,1,0,0,0,0|2,0,1]=4 4352 B10R0.74 CCCCCCOC(C)CF 7a_100016041109_100000210314 [0,1,0,0,0,0|2,0,1]=4 4353 B10R0.74 CCCCCCOC(C)CN 34a_100000210904_100000210314 [0,1,0,0,0,0|2,0,1]=4 4354 B10R0.74 CCCCCCOC(C)CO 34a_100000210259_100012180447 [0,1,0,0,0,0|2,0,1]=4 4355 B10R0.74 CCCCCCOC(C)CO 7a_100000210259_100012180447 [0,1,0,0,0,0|2,0,1]=4 4356 B10R0.74 CCCCCCSC(C)CC 62a_100000210314_100000758301 [0,1,0,0,0,0|1,0,1]=3 4357 B10R0.74 CCCCCCSC(C)CC 62a_100000758301_100000210757 [0,1,0,0,0,0|1,0,1]=3 4358 B10R0.74 CCCCCCSC(C)CO 62a_100012180447_100000210757 [0,1,0,0,0,0|2,0,1]=4 4359 B10R0.74 CCCCCCSC(C)OC 62a_100000210314_100009879195 [0,1,0,0,0,0|2,0,1]=4 4360 B10R0.74 CCCCCCSC(C)OC 62a_100009879195_100000210757 [0,1,0,0,0,0|2,0,1]=4 4361 B10R0.74 CCCCCCS[C@H](C)CO 62a_100000210314_100016084084 [0,1,0,0,0,0|2,0,1]=4 4362 B10R0.74 CCCCCCS[C@H](C)CO 62a_100016084084_100000210757 [0,1,0,0,0,0|2,0,1]=4 4363 B10R0.74 CCCCCNCC(=O)NC 2230a_100000209983_100000183359 [0,1,0,0,0,0|1,0,0]=2 4364 B10R0.74 CCCCCNCC(=O)NC 2230a_100000693194_100000210326 [0,1,0,0,0,0|1,0,0]=2 4365 B10R0.74 CCCCCNCC(=O)OC 2230a_100000209983_100000747449 [0,1,0,0,0,0|1,0,0]=2 4366 B10R0.74 CCCCCNCC(C)CC 2230a_100000209983_100000748023 [0,1,0,0,0,0|1,0,1]=3 4367 B10R0.74 CCCCCNCC(C)CC 2230a_100020588543_100000210326 [0,1,0,0,0,0|1,0,1]=3 4368 B10R0.74 CCCCCNCC(C)CC 270004a_100000209983_100000243153 [0,1,0,0,0,0|1,0,1]=3 4369 B10R0.74 CCCCCNCC(C)CO 34a_100000744482_100000718602 [0,1,0,0,0,0|2,0,1]=4 4370 B10R0.74 CCCCCNCC(O)CC 2230a_100000209983_100011218378 [0,1,0,0,0,0|0,0,2]=3 4371 B10R0.74 CCCCCNCC(O)CC 2230a_100011218483_100000210326 [0,1,0,0,0,0|0,0,2]=3 4372 B10R0.74 CCCCCNCC(O)CO 2230a_100000209983_100011219619 [0,1,0,0,0,0|1,0,2]=4 4373 B10R0.74 CCCCCNC[C@@H](C)CC 2230a_100000209983_100009816398 [0,1,0,0,0,0|1,0,1]=3 4374 B10R0.74 CCCCCNC[C@@H](C)CO 2230a_100000209983_100000059175 [0,1,0,0,0,0|2,0,1]=4 4375 B10R0.74 CCCCCNC[C@@H](C)OC 2230a_100020591295_100000210326 [0,1,0,0,0,0|2,0,1]=4 4376 B10R0.74 CCCCCNC[C@@H](F)CO 34a_100015665980_100000718602 [0,1,0,0,0,0|2,0,1]=4 4377 B10R0.74 CCCCCNC[C@@H](O)CF 2230a_100000209983_100015614560 [0,1,0,0,0,0|1,0,2]=4 4378 B10R0.74 CCCCCNC[C@@H](O)CO 2230a_100000209983_100009815848 [0,1,0,0,0,0|1,0,2]=4 4379 B10R0.74 CCCCCNC[C@H](O)CO 2230a_100020644852_100000210326 [0,1,0,0,0,0|1,0,2]=4 4380 B10R0.74 CCCCCNN=C(C)CF 4a_100000694160_100000039719 [0,1,0,0,0,0|3,0,0]=4 4381 B10R0.74 CCCCCNN=C(C)CO 4a_100000694160_100000211253 [0,1,0,0,0,0|3,0,0]=4 4382 B10R0.74 CCCCCNNC(=O)CC 22a_100000694160_100000210414 [0,1,0,0,0,0|1,0,0]=2 4383 B10R0.74 CCCCCNNC(=O)CO 22a_100000694160_100000210174 [0,1,0,0,0,0|2,0,0]=3 4384 B10R0.74 CCCCCNNC(=O)NC 273464a_100102657272_100000694160 [0,1,0,0,0,0|2,0,0]=3 4385 B10R0.74 CCCCCNNC(=O)NC 512a_100000694160_100102657272 [0,1,0,0,0,0|2,0,0]=3 4386 B10R0.74 CCCCCNNC(=O)NC 512a_106832991638_100000694160 [0,1,0,0,0,0|2,0,0]=3 4387 B10R0.74 CCCCCOCC(=O)CC 34a_100000725409_100000718602 [0,1,0,0,0,0|0,0,0]=1 4388 B10R0.74 CCCCCOCC(=O)CC 7a_100000210253_100000747405 [0,1,0,0,0,0|0,0,0]=1 4389 B10R0.74 CCCCCOCC(=O)NC 34a_100000210253_100000183359 [0,1,0,0,0,0|1,0,0]=2 4390 B10R0.74 CCCCCOCC(=O)NC 34a_100000750040_100000718602 [0,1,0,0,0,0|1,0,0]=2 4391 B10R0.74 CCCCCOCC(=O)NC 7a_100000210253_100000183359 [0,1,0,0,0,0|1,0,0]=2 4392 B10R0.74 CCCCCOCC(=O)OC 34a_100000210253_100000747449 [0,1,0,0,0,0|1,0,0]=2 4393 B10R0.74 CCCCCOCC(=O)OC 7a_100000210253_100000747449 [0,1,0,0,0,0|1,0,0]=2 4394 B10R0.74 CCCCCOCC(C)CC 34a_100000210253_100000748023 [0,1,0,0,0,0|1,0,1]=3 4395 B10R0.74 CCCCCOCC(C)CC 7a_100000210253_100000748023 [0,1,0,0,0,0|1,0,1]=3 4396 B10R0.74 CCCCCOCC(C)CN 34a_100000744482_100000718602 [0,1,0,0,0,0|2,0,1]=4 4397 B10R0.74 CCCCCOCC(C)OC 34a_100000690652_100000718602 [0,1,0,0,0,0|2,0,1]=4 4398 B10R0.74 CCCCCOCC(Cl)CCl 34a_100000033668_100000718602 [0,1,0,0,0,0|2,0,1]=4 4399 B10R0.74 CCCCCOCC(O)CC 34a_100000210253_100011218378 [0,1,0,0,0,0|0,0,2]=3 4400 B10R0.74 CCCCCOCC(O)CC 7a_100000210253_100011218378 [0,1,0,0,0,0|0,0,2]=3 4401 B10R0.74 CCCCCOCC(O)CO 34a_100000210253_100011219619 [0,1,0,0,0,0|1,0,2]=4 4402 B10R0.74 CCCCCOCC(O)CO 7a_100000210253_100011219619 [0,1,0,0,0,0|1,0,2]=4 4403 B10R0.74 CCCCCOC[C@@H](C)CC 34a_100000210253_100009816398 [0,1,0,0,0,0|1,0,1]=3 4404 B10R0.74 CCCCCOC[C@@H](C)CC 7a_100000210253_100009816398 [0,1,0,0,0,0|1,0,1]=3 4405 B10R0.74 CCCCCOC[C@@H](C)CC 7a_100009816381_100000210326 [0,1,0,0,0,0|1,0,1]=3 4406 B10R0.74 CCCCCOC[C@@H](C)CO 34a_100000210253_100000059175 [0,1,0,0,0,0|2,0,1]=4 4407 B10R0.74 CCCCCOC[C@@H](C)CO 7a_100000210253_100000059175 [0,1,0,0,0,0|2,0,1]=4 4408 B10R0.74 CCCCCOC[C@@H](O)CF 34a_100000210253_100015614560 [0,1,0,0,0,0|1,0,2]=4 4409 B10R0.74 CCCCCOC[C@@H](O)CF 7a_100000210253_100015614560 [0,1,0,0,0,0|1,0,2]=4 4410 B10R0.74 CCCCCOC[C@@H](O)CO 34a_100000210253_100009815848 [0,1,0,0,0,0|1,0,2]=4 4411 B10R0.74 CCCCCOC[C@@H](O)CO 7a_100000210253_100009815848 [0,1,0,0,0,0|1,0,2]=4 4412 B10R0.74 CCCCCOC[C@H](F)CN 34a_100015665980_100000718602 [0,1,0,0,0,0|2,0,1]=4 4413 B10R0.74 CCCCCSCC(=O)CC 62a_100000210326_100000747405 [0,1,0,0,0,0|0,0,0]=1 4414 B10R0.74 CCCCCSCC(=O)CC 62a_100000747405_100000210326 [0,1,0,0,0,0|0,0,0]=1 4415 B10R0.74 CCCCCSCC(=O)NC 62a_100000183359_100000210326 [0,1,0,0,0,0|1,0,0]=2 4416 B10R0.74 CCCCCSCC(=O)NC 62a_100000210326_100000183359 [0,1,0,0,0,0|1,0,0]=2 4417 B10R0.74 CCCCCSCC(=O)OC 62a_100000210326_100000747449 [0,1,0,0,0,0|1,0,0]=2 4418 B10R0.74 CCCCCSCC(=O)OC 62a_100000747449_100000210326 [0,1,0,0,0,0|1,0,0]=2 4419 B10R0.74 CCCCCSCC(C)CC 62a_100000210326_100000748023 [0,1,0,0,0,0|1,0,1]=3 4420 B10R0.74 CCCCCSCC(C)CC 62a_100000748023_100000210326 [0,1,0,0,0,0|1,0,1]=3 4421 B10R0.74 CCCCCSCC(O)CC 62a_100000210326_100011218378 [0,1,0,0,0,0|0,0,2]=3 4422 B10R0.74 CCCCCSCC(O)CC 62a_100011218378_100000210326 [0,1,0,0,0,0|0,0,2]=3 4423 B10R0.74 CCCCCSCC(O)CO 62a_100000210326_100011219619 [0,1,0,0,0,0|1,0,2]=4 4424 B10R0.74 CCCCCSCC(O)CO 62a_100011219619_100000210326 [0,1,0,0,0,0|1,0,2]=4 4425 B10R0.74 CCCCCSC[C@@H](C)CC 62a_100000210326_100009816398 [0,1,0,0,0,0|1,0,1]=3 4426 B10R0.74 CCCCCSC[C@@H](C)CC 62a_100009816398_100000210326 [0,1,0,0,0,0|1,0,1]=3 4427 B10R0.74 CCCCCSC[C@@H](C)CO 62a_100000059175_100000210326 [0,1,0,0,0,0|2,0,1]=4 4428 B10R0.74 CCCCCSC[C@@H](C)CO 62a_100000210326_100000059175 [0,1,0,0,0,0|2,0,1]=4 4429 B10R0.74 CCCCCSC[C@@H](O)CF 62a_100000210326_100015614560 [0,1,0,0,0,0|1,0,2]=4 4430 B10R0.74 CCCCCSC[C@@H](O)CF 62a_100015614560_100000210326 [0,1,0,0,0,0|1,0,2]=4 4431 B10R0.74 CCCCCSC[C@@H](O)CO 62a_100000210326_100009815848 [0,1,0,0,0,0|1,0,2]=4 4432 B10R0.74 CCCCCSC[C@@H](O)CO 62a_100009815848_100000210326 [0,1,0,0,0,0|1,0,2]=4 4433 B10R0.74 CCCCNCCC(=O)NC 2230a_100000102301_100000737683 [0,1,0,0,0,0|1,0,0]=2 4434 B10R0.74 CCCCNCCC(=O)NC 2230a_100000738227_100000210211 [0,1,0,0,0,0|1,0,0]=2 4435 B10R0.74 CCCCNCCC(=O)NC 34a_100000738227_100000210210 [0,1,0,0,0,0|1,0,0]=2 4436 B10R0.74 CCCCNCCC(=O)NC 7a_106832991798_100000737683 [0,1,0,0,0,0|1,0,0]=2 4437 B10R0.74 CCCCNCCC(=O)OC 2230a_100000102301_100000204255 [0,1,0,0,0,0|1,0,0]=2 4438 B10R0.74 CCCCNCCC(=O)OC 7a_106832991798_100000204255 [0,1,0,0,0,0|1,0,0]=2 4439 B10R0.74 CCCCNCCC(C)CC 2230a_100020591266_100000210211 [0,1,0,0,0,0|1,0,1]=3 4440 B10R0.74 CCCCNCCC(C)CO 2230a_106354213184_100000210211 [0,1,0,0,0,0|2,0,1]=4 4441 B10R0.74 CCCCNCCC(C)CO 34a_106354213184_100000210210 [0,1,0,0,0,0|2,0,1]=4 4442 B10R0.74 CCCCNN=CC(=O)OC 4a_100025702795_200011823558 [0,1,0,0,0,0|2,0,1]=4 4443 B10R0.74 CCCCOCCC(=NO)N 34a_100000749954_100000210210 [0,1,0,0,0,0|3,0,0]=4 4444 B10R0.74 CCCCOCCC(=O)CC 1458a_100000210414_100000743108 [0,1,0,0,0,0|0,0,0]=1 4445 B10R0.74 CCCCOCCC(=O)CO 1458a_100000210174_100000743108 [0,1,0,0,0,0|1,0,0]=2 4446 B10R0.74 CCCCOCCC(=O)NC 34a_100000210227_100012179268 [0,1,0,0,0,0|1,0,0]=2 4447 B10R0.74 CCCCOCCC(=O)NC 34a_100000754576_100000210210 [0,1,0,0,0,0|1,0,0]=2 4448 B10R0.74 CCCCOCCC(=O)NC 7a_100000210227_100000737683 [0,1,0,0,0,0|1,0,0]=2 4449 B10R0.74 CCCCOCCC(=O)OC 34a_100000210227_100000742370 [0,1,0,0,0,0|1,0,0]=2 4450 B10R0.74 CCCCOCCC(=O)OC 7a_100000210227_100000204255 [0,1,0,0,0,0|1,0,0]=2 4451 B10R0.74 CCCCOCCC(C)CC 7a_100011215188_100000210211 [0,1,0,0,0,0|1,0,1]=3 4452 B10R0.74 CCCCOCCC(C)OC 7a_100000764861_100000210211 [0,1,0,0,0,0|2,0,1]=4 4453 B10R0.74 CCCCOCCN(C)CC 2230a_100000225621_100000743108 [0,1,0,0,0,0|2,0,0]=3 4454 B10R0.74 CCCCOCCN(C)CC 269982a_100000225621_100000743108 [0,1,0,0,0,0|2,0,0]=3 4455 B10R0.74 CCCCOCNC(C)CC 2230a_100000209981_100011995733 [0,1,0,0,0,0|2,0,1]=4 4456 B10R0.74 CCCCOCSC(C)CC 62a_100000758301_100011995733 [0,1,0,0,0,0|2,0,1]=4 4457 B10R0.74 CCCCOCSC(C)CC 62a_100011995733_100000758301 [0,1,0,0,0,0|2,0,1]=4 4458 B10R0.74 CCCCSCCC(=O)NC 62a_100000210211_100000737683 [0,1,0,0,0,0|1,0,0]=2 4459 B10R0.74 CCCCSCCC(=O)NC 62a_100000737683_100000210210 [0,1,0,0,0,0|1,0,0]=2 4460 B10R0.74 CCCCSCCC(=O)OC 62a_100000204255_100000210210 [0,1,0,0,0,0|1,0,0]=2 4461 B10R0.74 CCCCSCCC(=O)OC 62a_100000210211_100000204255 [0,1,0,0,0,0|1,0,0]=2 4462 B10R0.74 CCCCSCOC(=O)OC 62a_100000210211_100000139417 [0,1,0,0,0,0|2,0,0]=3 4463 B10R0.74 CCCNCCCC(=O)NC 2230a_100000740002_100000210303 [0,1,0,0,0,0|1,0,0]=2 4464 B10R0.74 CCCNCCCC(=O)NC 34a_100000740002_100000210303 [0,1,0,0,0,0|1,0,0]=2 4465 B10R0.74 CCCNCCNC(=O)CC 34a_100132302217_100000210303 [0,1,0,0,0,0|1,0,0]=2 4466 B10R0.74 CCCNCCNC(=O)NC 34a_100015205895_100000210303 [0,1,0,0,0,0|2,0,0]=3 4467 B10R0.74 CCCNN=CCC(=O)OC 4a_100000740057_200011552997 [0,1,0,0,0,0|2,0,1]=4 4468 B10R0.74 CCCOC/C=C/C(=O)OC 34a_100000210258_100000742655 [0,1,0,0,0,0|1,0,2]=4 4469 B10R0.74 CCCOCCCC(=O)NC 34a_100000210258_100000741757 [0,1,0,0,0,0|1,0,0]=2 4470 B10R0.74 CCCOCCCC(=O)NN 34a_100000211488_100000210303 [0,1,0,0,0,0|2,0,0]=3 4471 B10R0.74 CCCOCCCC(=O)OC 34a_100000210258_100000742333 [0,1,0,0,0,0|1,0,0]=2 4472 B10R0.74 CCCOCCCC(C)CC 7a_100011216074_100000210303 [0,1,0,0,0,0|1,0,1]=3 4473 B10R0.74 CCCOCCC[C@@H](C)CN 34a_100160569302_100000210303 [0,1,0,0,0,0|2,0,1]=4 4474 B10R0.74 CCCOCCNC(=O)CC 1626a_100161115042_100000210414 [0,1,0,0,0,0|1,0,0]=2 4475 B10R0.74 CCCOCCNC(=O)CC 240690a_100161115042_100000210414 [0,1,0,0,0,0|1,0,0]=2 4476 B10R0.74 CCCOCCNC(=O)CC 34a_200000158885_100000210303 [0,1,0,0,0,0|1,0,0]=2 4477 B10R0.74 CCCOCCNC(=O)CC 527a_100161115042_100000210414 [0,1,0,0,0,0|1,0,0]=2 4478 B10R0.74 CCCOCCNC(=O)CC 7a_200000158885_100000210303 [0,1,0,0,0,0|1,0,0]=2 4479 B10R0.74 CCCOCCNC(=O)CO 240690a_100161115042_100000210174 [0,1,0,0,0,0|2,0,0]=3 4480 B10R0.74 CCCOCCNC(=O)CO 527a_100161115042_100000210174 [0,1,0,0,0,0|2,0,0]=3 4481 B10R0.74 CCCOCCNC(=O)NC 2708a_100102657272_100161115042 [0,1,0,0,0,0|2,0,0]=3 4482 B10R0.74 CCCOCCNC(=O)NC 2708a_100161115042_106832991635 [0,1,0,0,0,0|2,0,0]=3 4483 B10R0.74 CCCOCCNC(=O)NC 273464a_100102657272_100161115042 [0,1,0,0,0,0|2,0,0]=3 4484 B10R0.74 CCCOCCNC(=O)NC 273464a_100161115042_100102657272 [0,1,0,0,0,0|2,0,0]=3 4485 B10R0.74 CCCOCCNC(=O)NC 512a_100161115042_100102657272 [0,1,0,0,0,0|2,0,0]=3 4486 B10R0.74 CCCOCCNC(=O)NC 512a_106832991638_100161115042 [0,1,0,0,0,0|2,0,0]=3 4487 B10R0.74 CCCOCCNC(=O)OC 34a_100000757965_100000210303 [0,1,0,0,0,0|2,0,0]=3 4488 B10R0.74 CCCOCCNC(C)CC 2230a_100000209981_100011215938 [0,1,0,0,0,0|2,0,1]=4 4489 B10R0.74 CCCOCCNC(C)CC 2230a_100161115042_100000758301 [0,1,0,0,0,0|2,0,1]=4 4490 B10R0.74 CCCOCCNC(C)CC 34a_100161115042_100011215416 [0,1,0,0,0,0|2,0,1]=4 4491 B10R0.74 CCCOCCOC(=O)CC 7a_200000031056_100000210303 [0,1,0,0,0,0|1,0,0]=2 4492 B10R0.74 CCCOCCOC(=O)NC 34a_100000210258_200011997002 [0,1,0,0,0,0|2,0,0]=3 4493 B10R0.74 CCCOCCOC(=O)OC 34a_100010262106_100000210303 [0,1,0,0,0,0|2,0,0]=3 4494 B10R0.74 CCCOCCOC(C)CC 34a_100000752267_100011215416 [0,1,0,0,0,0|2,0,1]=4 4495 B10R0.74 CCCOCCOC(C)CC 7a_100000210228_100011215938 [0,1,0,0,0,0|2,0,1]=4 4496 B10R0.74 CCCOCCOC(C)CC 7a_100000752267_100000758301 [0,1,0,0,0,0|2,0,1]=4 4497 B10R0.74 CCCOCCSC(C)CC 62a_100000758301_100011215938 [0,1,0,0,0,0|2,0,1]=4 4498 B10R0.74 CCCOCCSC(C)CC 62a_100011215938_100000758301 [0,1,0,0,0,0|2,0,1]=4 4499 B10R0.74 CCCSC/C=C/C(=O)OC 62a_100000210303_100000742655 [0,1,0,0,0,0|1,0,2]=4 4500 B10R0.74 CCCSC/C=C/C(=O)OC 62a_100000742655_100000210303 [0,1,0,0,0,0|1,0,2]=4 4501 B10R0.74 CCCSCCCC(=O)NC 62a_100000210303_100000741757 [0,1,0,0,0,0|1,0,0]=2 4502 B10R0.74 CCCSCCCC(=O)NC 62a_100000741757_100000210303 [0,1,0,0,0,0|1,0,0]=2 4503 B10R0.74 CCCSCCCC(=O)OC 62a_100000210303_100011218270 [0,1,0,0,0,0|1,0,0]=2 4504 B10R0.74 CCCSCCCC(=O)OC 62a_100011218270_100000210303 [0,1,0,0,0,0|1,0,0]=2 4505 B10R0.74 CCCSCCCN(C)CC 62a_100000210303_100015186262 [0,1,0,0,0,0|2,0,0]=3 4506 B10R0.74 CCCSCCNC(=O)CC 11a_100020603323_100000210414 [0,1,0,0,0,0|1,0,0]=2 4507 B10R0.74 CCCSCCNC(=O)CC 240690a_100020603323_100000210414 [0,1,0,0,0,0|1,0,0]=2 4508 B10R0.74 CCCSCCNC(=O)CC 527a_100020603323_100000210414 [0,1,0,0,0,0|1,0,0]=2 4509 B10R0.74 CCCSCCNC(=O)CO 240690a_100020603323_100000210174 [0,1,0,0,0,0|2,0,0]=3 4510 B10R0.74 CCCSCCNC(=O)CO 527a_100020603323_100000210174 [0,1,0,0,0,0|2,0,0]=3 4511 B10R0.74 CCCSCCNC(=O)NC 2708a_100020603323_106832991635 [0,1,0,0,0,0|2,0,0]=3 4512 B10R0.74 CCCSCCNC(=O)NC 2708a_100102657272_100020603323 [0,1,0,0,0,0|2,0,0]=3 4513 B10R0.74 CCCSCCNC(=O)NC 273464a_100020603323_100102657272 [0,1,0,0,0,0|2,0,0]=3 4514 B10R0.74 CCCSCCNC(=O)NC 273464a_100102657272_100020603323 [0,1,0,0,0,0|2,0,0]=3 4515 B10R0.74 CCCSCCNC(=O)NC 512a_100020603323_100102657272 [0,1,0,0,0,0|2,0,0]=3 4516 B10R0.74 CCCSCCNC(=O)NC 512a_106832991638_100020603323 [0,1,0,0,0,0|2,0,0]=3 4517 B10R0.74 CCCSCCNC(C)CC 2230a_100020603323_100000758301 [0,1,0,0,0,0|2,0,1]=4 4518 B10R0.74 CCCSCCOC(=O)NC 62a_100000210303_200011997002 [0,1,0,0,0,0|2,0,0]=3 4519 B10R0.74 CCCSCCOC(=O)NC 62a_200011997002_100000210303 [0,1,0,0,0,0|2,0,0]=3 4520 B10R0.74 CCCSCCOC(C)CC 34a_200000230433_100011215416 [0,1,0,0,0,0|2,0,1]=4 4521 B10R0.74 CCCSCCOC(C)CC 7a_200000230433_100000758301 [0,1,0,0,0,0|2,0,1]=4 4522 B10R0.74 CCN(C)CCCCCC#N 2230a_100000225621_100009813376 [0,1,0,0,0,0|2,0,1]=4 4523 B10R0.74 CCN(C)CCCCCC#N 269982a_100000225621_100009813376 [0,1,0,0,0,0|2,0,1]=4 4524 B10R0.74 CCN(C)CCCCCC=O 2230a_100000225621_100000139337 [0,1,0,0,0,0|2,0,1]=4 4525 B10R0.74 CCN(C)CCCCCC=O 269982a_100000225621_100000139337 [0,1,0,0,0,0|2,0,1]=4 4526 B10R0.74 CCN(C)CCCCCCF 2230a_100000225621_100015922095 [0,1,0,0,0,0|2,0,0]=3 4527 B10R0.74 CCN(C)CCCCCCF 269982a_100000225621_100015922095 [0,1,0,0,0,0|2,0,0]=3 4528 B10R0.74 CCN(C)CCCCCCO 2230a_100000225621_100000766143 [0,1,0,0,0,0|2,0,0]=3 4529 B10R0.74 CCN(C)CCCCCCO 269982a_100000225621_100000766143 [0,1,0,0,0,0|2,0,0]=3 4530 B10R0.74 CCN(C)CCCNCCO 2230a_100016997473_100015186262 [0,1,0,0,0,0|3,0,0]=4 4531 B10R0.74 CCN(C)CCCSCCF 62a_100011217306_100015186262 [0,1,0,0,0,0|3,0,0]=4 4532 B10R0.74 CCN(C)CCCSCCO 62a_100000211926_100015186262 [0,1,0,0,0,0|3,0,0]=4 4533 B10R0.74 CCN(C)CCCSCOC 62a_100000766300_100015186262 [0,1,0,0,0,0|3,0,0]=4 4534 B10R0.74 CCN(C)CCCSCSC 62a_100011218213_100015186262 [0,1,0,0,0,0|3,0,0]=4 4535 B10R0.74 CCN(C)CCOCCOC 2230a_100000225621_100000695917 [0,1,0,0,0,0|3,0,0]=4 4536 B10R0.74 CCN(C)CCOCCOC 269982a_100000225621_100000695917 [0,1,0,0,0,0|3,0,0]=4 4537 B10R0.74 CCNCCCCC(=O)OC 2230a_100015525214_100000204269 [0,1,0,0,0,0|1,0,0]=2 4538 B10R0.74 CCNCCOCC(=O)OC 2230a_100015525214_100000090808 [0,1,0,0,0,0|2,0,0]=3 4539 B10R0.74 CCNN=CCCC(=O)OC 4a_100000756455_100012047195 [0,1,0,0,0,0|2,0,1]=4 4540 B10R0.74 CCOCCCCC(=O)OC 34a_100000059025_100000210202 [0,1,0,0,0,0|1,0,0]=2 4541 B10R0.74 CCOCCCCC(=O)OC 34a_100121572206_100000204269 [0,1,0,0,0,0|1,0,0]=2 4542 B10R0.74 CCOCCCCC(=O)OC 7a_100000059025_100000210202 [0,1,0,0,0,0|1,0,0]=2 4543 B10R0.74 CCOCCCNC(=O)CC 11a_100000210961_100000210414 [0,1,0,0,0,0|1,0,0]=2 4544 B10R0.74 CCOCCCNC(=O)CC 1626a_100000210961_100000210414 [0,1,0,0,0,0|1,0,0]=2 4545 B10R0.74 CCOCCCNC(=O)CC 240690a_100000210961_100000210414 [0,1,0,0,0,0|1,0,0]=2 4546 B10R0.74 CCOCCCNC(=O)CC 527a_100000210961_100000210414 [0,1,0,0,0,0|1,0,0]=2 4547 B10R0.74 CCOCCCNC(=O)CO 240690a_100000210961_100000210174 [0,1,0,0,0,0|2,0,0]=3 4548 B10R0.74 CCOCCCNC(=O)CO 527a_100000210961_100000210174 [0,1,0,0,0,0|2,0,0]=3 4549 B10R0.74 CCOCCCNC(=O)NC 2708a_100000210961_106832991635 [0,1,0,0,0,0|2,0,0]=3 4550 B10R0.74 CCOCCCNC(=O)NC 2708a_100102657272_100000210961 [0,1,0,0,0,0|2,0,0]=3 4551 B10R0.74 CCOCCCNC(=O)NC 273464a_100000210961_100102657272 [0,1,0,0,0,0|2,0,0]=3 4552 B10R0.74 CCOCCCNC(=O)NC 273464a_100102657272_100000210961 [0,1,0,0,0,0|2,0,0]=3 4553 B10R0.74 CCOCCCNC(=O)NC 512a_100000210961_100102657272 [0,1,0,0,0,0|2,0,0]=3 4554 B10R0.74 CCOCCCNC(=O)NC 512a_106832991638_100000210961 [0,1,0,0,0,0|2,0,0]=3 4555 B10R0.74 CCOCCCNC(C)CC 2230a_100000209981_100012232248 [0,1,0,0,0,0|2,0,1]=4 4556 B10R0.74 CCOCCCNC(C)CC 2230a_100000210961_100000758301 [0,1,0,0,0,0|2,0,1]=4 4557 B10R0.74 CCOCCCNC(C)CC 34a_100000210961_100011215416 [0,1,0,0,0,0|2,0,1]=4 4558 B10R0.74 CCOCCCOC(C)CC 34a_100000757476_100011215416 [0,1,0,0,0,0|2,0,1]=4 4559 B10R0.74 CCOCCCOC(C)CC 7a_100000210228_100012232248 [0,1,0,0,0,0|2,0,1]=4 4560 B10R0.74 CCOCCCOC(C)CC 7a_100000757476_100000758301 [0,1,0,0,0,0|2,0,1]=4 4561 B10R0.74 CCOCCCSC(C)CC 62a_100000758301_100012232248 [0,1,0,0,0,0|2,0,1]=4 4562 B10R0.74 CCOCCCSC(C)CC 62a_100012232248_100000758301 [0,1,0,0,0,0|2,0,1]=4 4563 B10R0.74 CCOCCNCC(=O)NC 2230a_100000693194_100011215890 [0,1,0,0,0,0|2,0,0]=3 4564 B10R0.74 CCOCCNCC(=O)NC 2230a_102516460346_100000183359 [0,1,0,0,0,0|2,0,0]=3 4565 B10R0.74 CCOCCNCC(=O)NC 34a_102516460346_100000183359 [0,1,0,0,0,0|2,0,0]=3 4566 B10R0.74 CCOCCNCC(=O)OC 2230a_102516460346_100000747449 [0,1,0,0,0,0|2,0,0]=3 4567 B10R0.74 CCOCCNCC(=O)OC 34a_102516460346_100000747449 [0,1,0,0,0,0|2,0,0]=3 4568 B10R0.74 CCOCCNCC(C)CC 2230a_100020588543_100011215890 [0,1,0,0,0,0|2,0,1]=4 4569 B10R0.74 CCOCCNCC(C)CC 2230a_102516460346_100000748023 [0,1,0,0,0,0|2,0,1]=4 4570 B10R0.74 CCOCCNCC(C)CC 270004a_102516460346_100000243153 [0,1,0,0,0,0|2,0,1]=4 4571 B10R0.74 CCOCCNCC(C)CC 34a_102516460346_100000748023 [0,1,0,0,0,0|2,0,1]=4 4572 B10R0.74 CCOCCNCC(O)CC 2230a_100011218483_100011215890 [0,1,0,0,0,0|1,0,2]=4 4573 B10R0.74 CCOCCNCC(O)CC 2230a_102516460346_100011218378 [0,1,0,0,0,0|1,0,2]=4 4574 B10R0.74 CCOCCNCC(O)CC 34a_102516460346_100011218378 [0,1,0,0,0,0|1,0,2]=4 4575 B10R0.74 CCOCCNC[C@@H](C)CC 2230a_102516460346_100009816398 [0,1,0,0,0,0|2,0,1]=4 4576 B10R0.74 CCOCCNC[C@@H](C)CC 34a_102516460346_100009816398 [0,1,0,0,0,0|2,0,1]=4 4577 B10R0.74 CCOCCNNC(=O)CC 22a_100000732670_100000210414 [0,1,0,0,0,0|2,0,0]=3 4578 B10R0.74 CCOCCNNC(=O)CO 22a_100000732670_100000210174 [0,1,0,0,0,0|3,0,0]=4 4579 B10R0.74 CCOCCNNC(=O)NC 273464a_100102657272_100000732670 [0,1,0,0,0,0|3,0,0]=4 4580 B10R0.74 CCOCCNNC(=O)NC 512a_100000732670_100102657272 [0,1,0,0,0,0|3,0,0]=4 4581 B10R0.74 CCOCCNNC(=O)NC 512a_106832991638_100000732670 [0,1,0,0,0,0|3,0,0]=4 4582 B10R0.74 CCOCCOCC(=O)CC 34a_100000725409_100000210147 [0,1,0,0,0,0|1,0,0]=2 4583 B10R0.74 CCOCCOCC(=O)CC 7a_100000210136_100000747405 [0,1,0,0,0,0|1,0,0]=2 4584 B10R0.74 CCOCCOCC(=O)NC 34a_100000210136_100000183359 [0,1,0,0,0,0|2,0,0]=3 4585 B10R0.74 CCOCCOCC(=O)NC 34a_100000750040_100000210147 [0,1,0,0,0,0|2,0,0]=3 4586 B10R0.74 CCOCCOCC(=O)NC 7a_100000210136_100000183359 [0,1,0,0,0,0|2,0,0]=3 4587 B10R0.74 CCOCCOCC(=O)OC 34a_100000210136_100000747449 [0,1,0,0,0,0|2,0,0]=3 4588 B10R0.74 CCOCCOCC(=O)OC 34a_100121572206_100000090808 [0,1,0,0,0,0|2,0,0]=3 4589 B10R0.74 CCOCCOCC(=O)OC 7a_100000210136_100000747449 [0,1,0,0,0,0|2,0,0]=3 4590 B10R0.74 CCOCCOCC(C)CC 34a_100000210136_100000748023 [0,1,0,0,0,0|2,0,1]=4 4591 B10R0.74 CCOCCOCC(C)CC 7a_100000210136_100000748023 [0,1,0,0,0,0|2,0,1]=4 4592 B10R0.74 CCOCCOCC(O)CC 34a_100000210136_100011218378 [0,1,0,0,0,0|1,0,2]=4 4593 B10R0.74 CCOCCOCC(O)CC 7a_100000210136_100011218378 [0,1,0,0,0,0|1,0,2]=4 4594 B10R0.74 CCOCCOC[C@@H](C)CC 34a_100000210136_100009816398 [0,1,0,0,0,0|2,0,1]=4 4595 B10R0.74 CCOCCOC[C@@H](C)CC 7a_100000210136_100009816398 [0,1,0,0,0,0|2,0,1]=4 4596 B10R0.74 CCOCCOC[C@@H](C)CC 7a_100009816381_100011215890 [0,1,0,0,0,0|2,0,1]=4 4597 B10R0.74 CCOCCSCC(=O)CC 62a_100000210147_100000747405 [0,1,0,0,0,0|1,0,0]=2 4598 B10R0.74 CCOCCSCC(=O)CC 62a_100000747405_100011215890 [0,1,0,0,0,0|1,0,0]=2 4599 B10R0.74 CCOCCSCC(=O)NC 62a_100000183359_100011215890 [0,1,0,0,0,0|2,0,0]=3 4600 B10R0.74 CCOCCSCC(=O)NC 62a_100000210147_100000183359 [0,1,0,0,0,0|2,0,0]=3 4601 B10R0.74 CCOCCSCC(=O)OC 62a_100000210147_100000747449 [0,1,0,0,0,0|2,0,0]=3 4602 B10R0.74 CCOCCSCC(=O)OC 62a_100000747449_100011215890 [0,1,0,0,0,0|2,0,0]=3 4603 B10R0.74 CCOCCSCC(C)CC 62a_100000210147_100000748023 [0,1,0,0,0,0|2,0,1]=4 4604 B10R0.74 CCOCCSCC(C)CC 62a_100000748023_100011215890 [0,1,0,0,0,0|2,0,1]=4 4605 B10R0.74 CCOCCSCC(O)CC 62a_100000210147_100011218378 [0,1,0,0,0,0|1,0,2]=4 4606 B10R0.74 CCOCCSCC(O)CC 62a_100011218378_100011215890 [0,1,0,0,0,0|1,0,2]=4 4607 B10R0.74 CCOCCSC[C@@H](C)CC 62a_100000210147_100009816398 [0,1,0,0,0,0|2,0,1]=4 4608 B10R0.74 CCOCCSC[C@@H](C)CC 62a_100009816398_100011215890 [0,1,0,0,0,0|2,0,1]=4 4609 B10R0.74 CCOCSCCC(=O)NC 62a_100000737683_100000739092 [0,1,0,0,0,0|2,0,0]=3 4610 B10R0.74 CCOCSCCC(=O)NC 62a_100000739092_100000737683 [0,1,0,0,0,0|2,0,0]=3 4611 B10R0.74 CCOCSCCC(=O)OC 62a_100000204255_100000739092 [0,1,0,0,0,0|2,0,0]=3 4612 B10R0.74 CCOCSCCC(=O)OC 62a_100000739092_100000204255 [0,1,0,0,0,0|2,0,0]=3 4613 B10R0.74 CCOCSCOC(=O)OC 62a_100000739092_100000139417 [0,1,0,0,0,0|3,0,0]=4 4614 B10R0.74 CCSCCCCC(=O)OC 62a_100000204269_100000210202 [0,1,0,0,0,0|1,0,0]=2 4615 B10R0.74 CCSCCCCC(=O)OC 62a_100000210202_100000204269 [0,1,0,0,0,0|1,0,0]=2 4616 B10R0.74 CCSCCCOC(C)CC 34a_100011216438_100011215416 [0,1,0,0,0,0|2,0,1]=4 4617 B10R0.74 CCSCCCOC(C)CC 7a_100011216438_100000758301 [0,1,0,0,0,0|2,0,1]=4 4618 B10R0.74 CCSCCNCC(=O)NC 2230a_100000106463_100000183359 [0,1,0,0,0,0|2,0,0]=3 4619 B10R0.74 CCSCCNCC(=O)NC 2230a_100000693194_100000757381 [0,1,0,0,0,0|2,0,0]=3 4620 B10R0.74 CCSCCNCC(=O)OC 2230a_100000106463_100000747449 [0,1,0,0,0,0|2,0,0]=3 4621 B10R0.74 CCSCCNCC(C)CC 2230a_100000106463_100000748023 [0,1,0,0,0,0|2,0,1]=4 4622 B10R0.74 CCSCCNCC(C)CC 2230a_100020588543_100000757381 [0,1,0,0,0,0|2,0,1]=4 4623 B10R0.74 CCSCCNCC(C)CC 270004a_100000106463_100000243153 [0,1,0,0,0,0|2,0,1]=4 4624 B10R0.74 CCSCCNCC(O)CC 2230a_100000106463_100011218378 [0,1,0,0,0,0|1,0,2]=4 4625 B10R0.74 CCSCCNCC(O)CC 2230a_100011218483_100000757381 [0,1,0,0,0,0|1,0,2]=4 4626 B10R0.74 CCSCCNC[C@@H](C)CC 2230a_100000106463_100009816398 [0,1,0,0,0,0|2,0,1]=4 4627 B10R0.74 CCSCCOCC(=O)CC 34a_100000725409_100000757381 [0,1,0,0,0,0|1,0,0]=2 4628 B10R0.74 CCSCCOCC(=O)CC 7a_100000212035_100000747405 [0,1,0,0,0,0|1,0,0]=2 4629 B10R0.74 CCSCCOCC(=O)NC 34a_100000212035_100000183359 [0,1,0,0,0,0|2,0,0]=3 4630 B10R0.74 CCSCCOCC(=O)NC 34a_100000750040_100000757381 [0,1,0,0,0,0|2,0,0]=3 4631 B10R0.74 CCSCCOCC(=O)NC 7a_100000212035_100000183359 [0,1,0,0,0,0|2,0,0]=3 4632 B10R0.74 CCSCCOCC(=O)OC 34a_100000212035_100000747449 [0,1,0,0,0,0|2,0,0]=3 4633 B10R0.74 CCSCCOCC(=O)OC 62a_100000090808_100000210202 [0,1,0,0,0,0|2,0,0]=3 4634 B10R0.74 CCSCCOCC(=O)OC 62a_100000210202_100000090808 [0,1,0,0,0,0|2,0,0]=3 4635 B10R0.74 CCSCCOCC(=O)OC 7a_100000212035_100000747449 [0,1,0,0,0,0|2,0,0]=3 4636 B10R0.74 CCSCCOCC(C)CC 34a_100000212035_100000748023 [0,1,0,0,0,0|2,0,1]=4 4637 B10R0.74 CCSCCOCC(C)CC 7a_100000212035_100000748023 [0,1,0,0,0,0|2,0,1]=4 4638 B10R0.74 CCSCCOCC(O)CC 34a_100000212035_100011218378 [0,1,0,0,0,0|1,0,2]=4 4639 B10R0.74 CCSCCOCC(O)CC 7a_100000212035_100011218378 [0,1,0,0,0,0|1,0,2]=4 4640 B10R0.74 CCSCCOC[C@@H](C)CC 34a_100000212035_100009816398 [0,1,0,0,0,0|2,0,1]=4 4641 B10R0.74 CCSCCOC[C@@H](C)CC 7a_100000212035_100009816398 [0,1,0,0,0,0|2,0,1]=4 4642 B10R0.74 CCSCCOC[C@@H](C)CC 7a_100009816381_100000757381 [0,1,0,0,0,0|2,0,1]=4 4643 B10R0.74 CCSCCSCC(=O)CC 62a_100000747405_100000757381 [0,1,0,0,0,0|1,0,0]=2 4644 B10R0.74 CCSCCSCC(=O)CC 62a_100000757381_100000747405 [0,1,0,0,0,0|1,0,0]=2 4645 B10R0.74 CCSCCSCC(=O)NC 62a_100000183359_100000757381 [0,1,0,0,0,0|2,0,0]=3 4646 B10R0.74 CCSCCSCC(=O)NC 62a_100000757381_100000183359 [0,1,0,0,0,0|2,0,0]=3 4647 B10R0.74 CCSCCSCC(=O)OC 62a_100000747449_100000757381 [0,1,0,0,0,0|2,0,0]=3 4648 B10R0.74 CCSCCSCC(=O)OC 62a_100000757381_100000747449 [0,1,0,0,0,0|2,0,0]=3 4649 B10R0.74 CCSCCSCC(C)CC 62a_100000748023_100000757381 [0,1,0,0,0,0|2,0,1]=4 4650 B10R0.74 CCSCCSCC(C)CC 62a_100000757381_100000748023 [0,1,0,0,0,0|2,0,1]=4 4651 B10R0.74 CCSCCSCC(O)CC 62a_100000757381_100011218378 [0,1,0,0,0,0|1,0,2]=4 4652 B10R0.74 CCSCCSCC(O)CC 62a_100011218378_100000757381 [0,1,0,0,0,0|1,0,2]=4 4653 B10R0.74 CCSCCSC[C@@H](C)CC 62a_100000757381_100009816398 [0,1,0,0,0,0|2,0,1]=4 4654 B10R0.74 CCSCCSC[C@@H](C)CC 62a_100009816398_100000757381 [0,1,0,0,0,0|2,0,1]=4 4655 B10R0.74 CC[C@H](C)CNCCCCO 2230a_100000750430_100009816398 [0,1,0,0,0,0|2,0,1]=4 4656 B10R0.74 CC[C@H](C)CNCCCCO 34a_100000750430_100009816398 [0,1,0,0,0,0|2,0,1]=4 4657 B10R0.74 CC[C@H](C)CNCCCOC 34a_100150723488_100009816398 [0,1,0,0,0,0|2,0,1]=4 4658 B10R0.74 CC[C@H](C)CNCCCSC 2230a_100000749238_100009816398 [0,1,0,0,0,0|2,0,1]=4 4659 B10R0.74 CC[C@H](C)COCCCCBr 34a_100011216708_100009816398 [0,1,0,0,0,0|2,0,1]=4 4660 B10R0.74 CC[C@H](C)COCCCCCl 34a_100000210776_100009816398 [0,1,0,0,0,0|2,0,1]=4 4661 B10R0.74 CC[C@H](C)COCCCCCl 7a_100000210776_100009816398 [0,1,0,0,0,0|2,0,1]=4 4662 B10R0.74 CC[C@H](C)COCCCCF 34a_100011995726_100009816398 [0,1,0,0,0,0|2,0,1]=4 4663 B10R0.74 CC[C@H](C)COCCCCF 7a_100009816381_100000729493 [0,1,0,0,0,0|2,0,1]=4 4664 B10R0.74 CC[C@H](C)COCCCCF 7a_100011995726_100009816398 [0,1,0,0,0,0|2,0,1]=4 4665 B10R0.74 CC[C@H](C)COCCCCI 34a_200012148704_100009816398 [0,1,0,0,0,0|2,0,1]=4 4666 B10R0.74 CC[C@H](C)COCCCCN 34a_100000750430_100009816398 [0,1,0,0,0,0|2,0,1]=4 4667 B10R0.74 CC[C@H](C)COCCCCO 7a_100009816381_100000210776 [0,1,0,0,0,0|2,0,1]=4 4668 B10R0.74 CC[C@H](C)COCCCNC 34a_100000213112_100009816398 [0,1,0,0,0,0|2,0,1]=4 4669 B10R0.74 CC[C@H](C)COCCCOC 34a_100000740835_100009816398 [0,1,0,0,0,0|2,0,1]=4 4670 B10R0.74 CC[C@H](C)COCCCOC 7a_100009816381_100000740836 [0,1,0,0,0,0|2,0,1]=4 4671 B10R0.74 CC[C@H](C)COCCCSC 34a_100000690336_100009816398 [0,1,0,0,0,0|2,0,1]=4 4672 B10R0.74 CC[C@H](C)COCCCSC 7a_100000690336_100009816398 [0,1,0,0,0,0|2,0,1]=4 4673 B10R0.74 CC[C@H](C)CSCCCCF 62a_100000729493_100009816398 [0,1,0,0,0,0|2,0,1]=4 4674 B10R0.74 CC[C@H](C)CSCCCCF 62a_100009816398_100000729493 [0,1,0,0,0,0|2,0,1]=4 4675 B10R0.74 CC[C@H](C)CSCCCCO 62a_100000210776_100009816398 [0,1,0,0,0,0|2,0,1]=4 4676 B10R0.74 CC[C@H](C)CSCCCCO 62a_100009816398_100000210776 [0,1,0,0,0,0|2,0,1]=4 4677 B10R0.74 CC[C@H](C)CSCCCOC 62a_100000709357_100009816398 [0,1,0,0,0,0|2,0,1]=4 4678 B10R0.74 CC[C@H](C)CSCCCOC 62a_100009816398_100000709357 [0,1,0,0,0,0|2,0,1]=4 4679 B10R0.74 CNC(=O)CCCCCCO 240690a_100102657272_100011996774 [0,1,0,0,0,0|1,0,0]=2 4680 B10R0.74 CNC(=O)CCCCCOC 11a_106832991635_100011935119 [0,1,0,0,0,0|1,0,0]=2 4681 B10R0.74 CNC(=O)CCCCCOC 1626a_100102657272_100011935119 [0,1,0,0,0,0|1,0,0]=2 4682 B10R0.74 CNC(=O)CCCCCOC 240690a_100102657272_100011935119 [0,1,0,0,0,0|1,0,0]=2 4683 B10R0.74 CNC(=O)CCCCCOC 527a_100102657272_100011935119 [0,1,0,0,0,0|1,0,0]=2 4684 B10R0.74 CNC(=O)CCCCN=[N+]=[N-] 11a_106832991635_100000070148 [0,1,0,0,0,0|3,0,0]=4 4685 B10R0.74 CNC(=O)CCCCN=[N+]=[N-] 240690a_100102657272_100000070148 [0,1,0,0,0,0|3,0,0]=4 4686 B10R0.74 CNC(=O)CCCCN=[N+]=[N-] 527a_100102657272_100000070148 [0,1,0,0,0,0|3,0,0]=4 4687 B10R0.74 CNC(=O)CCCNCC#N 2230a_100000740002_100011215382 [0,1,0,0,0,0|2,0,1]=4 4688 B10R0.74 CNC(=O)CCCNCC=O 2230a_100000740002_200015260668 [0,1,0,0,0,0|2,0,1]=4 4689 B10R0.74 CNC(=O)CCCNCC=O 34a_100000740002_200009817547 [0,1,0,0,0,0|2,0,1]=4 4690 B10R0.74 CNC(=O)CCCNCCF 2230a_100000740002_100011217306 [0,1,0,0,0,0|2,0,0]=3 4691 B10R0.74 CNC(=O)CCCNCCF 34a_100000724931_100000741757 [0,1,0,0,0,0|2,0,0]=3 4692 B10R0.74 CNC(=O)CCCNCCF 34a_100000740002_100011217306 [0,1,0,0,0,0|2,0,0]=3 4693 B10R0.74 CNC(=O)CCCNCCO 2230a_100000740002_100000211926 [0,1,0,0,0,0|2,0,0]=3 4694 B10R0.74 CNC(=O)CCCNCCO 2230a_100016997473_100000741757 [0,1,0,0,0,0|2,0,0]=3 4695 B10R0.74 CNC(=O)CCCNCCO 34a_100000740002_100000211926 [0,1,0,0,0,0|2,0,0]=3 4696 B10R0.74 CNC(=O)CCCNCCO 34a_100016990907_100000741757 [0,1,0,0,0,0|2,0,0]=3 4697 B10R0.74 CNC(=O)CCCNCOC 2230a_100000740002_100000766300 [0,1,0,0,0,0|2,0,0]=3 4698 B10R0.74 CNC(=O)CCCNCSC 2230a_100000740002_100011218213 [0,1,0,0,0,0|2,0,0]=3 4699 B10R0.74 CNC(=O)CCCNCSC 34a_100000740002_100011218213 [0,1,0,0,0,0|2,0,0]=3 4700 B10R0.74 CNC(=O)CCCOCCBr 34a_100000211926_100000741757 [0,1,0,0,0,0|2,0,0]=3 4701 B10R0.74 CNC(=O)CCCOCCN 34a_100000210304_100000741757 [0,1,0,0,0,0|2,0,0]=3 4702 B10R0.74 CNC(=O)CCCSCC#N 62a_100000741757_100011215382 [0,1,0,0,0,0|2,0,1]=4 4703 B10R0.74 CNC(=O)CCCSCC#N 62a_100011215382_100000741757 [0,1,0,0,0,0|2,0,1]=4 4704 B10R0.74 CNC(=O)CCCSCC=O 62a_100000741757_200015260668 [0,1,0,0,0,0|2,0,1]=4 4705 B10R0.74 CNC(=O)CCCSCC=O 62a_200015260668_100000741757 [0,1,0,0,0,0|2,0,1]=4 4706 B10R0.74 CNC(=O)CCCSCCF 62a_100000741757_100011217306 [0,1,0,0,0,0|2,0,0]=3 4707 B10R0.74 CNC(=O)CCCSCCF 62a_100011217306_100000741757 [0,1,0,0,0,0|2,0,0]=3 4708 B10R0.74 CNC(=O)CCCSCCO 62a_100000211926_100000741757 [0,1,0,0,0,0|2,0,0]=3 4709 B10R0.74 CNC(=O)CCCSCCO 62a_100000741757_100000211926 [0,1,0,0,0,0|2,0,0]=3 4710 B10R0.74 CNC(=O)CCCSCOC 62a_100000741757_100000766300 [0,1,0,0,0,0|2,0,0]=3 4711 B10R0.74 CNC(=O)CCCSCOC 62a_100000766300_100000741757 [0,1,0,0,0,0|2,0,0]=3 4712 B10R0.74 CNC(=O)CCCSCSC 62a_100000741757_100011218213 [0,1,0,0,0,0|2,0,0]=3 4713 B10R0.74 CNC(=O)CCCSCSC 62a_100011218213_100000741757 [0,1,0,0,0,0|2,0,0]=3 4714 B10R0.74 CNC(=O)CCNCCC#N 2230a_100000738227_100011215226 [0,1,0,0,0,0|2,0,1]=4 4715 B10R0.74 CNC(=O)CCNCCCF 2230a_100000738227_100011934791 [0,1,0,0,0,0|2,0,0]=3 4716 B10R0.74 CNC(=O)CCNCCCF 2230a_100015189416_100000737683 [0,1,0,0,0,0|2,0,0]=3 4717 B10R0.74 CNC(=O)CCNCCCF 34a_100000738227_100011934791 [0,1,0,0,0,0|2,0,0]=3 4718 B10R0.74 CNC(=O)CCNCCCF 34a_100015189416_100012179268 [0,1,0,0,0,0|2,0,0]=3 4719 B10R0.74 CNC(=O)CCNCCCO 2230a_100000738227_100000230001 [0,1,0,0,0,0|2,0,0]=3 4720 B10R0.74 CNC(=O)CCNCCCO 34a_100000738227_100000230001 [0,1,0,0,0,0|2,0,0]=3 4721 B10R0.74 CNC(=O)CCNCCOC 2230a_100000209980_100000737683 [0,1,0,0,0,0|2,0,0]=3 4722 B10R0.74 CNC(=O)CCNCCOC 2230a_100000738227_100011201679 [0,1,0,0,0,0|2,0,0]=3 4723 B10R0.74 CNC(=O)CCNCCOC 34a_100000738227_100011201679 [0,1,0,0,0,0|2,0,0]=3 4724 B10R0.74 CNC(=O)CCNCCSC 2230a_100000738227_100000751147 [0,1,0,0,0,0|2,0,0]=3 4725 B10R0.74 CNC(=O)CCNCCSC 2230a_100020590264_100000737683 [0,1,0,0,0,0|2,0,0]=3 4726 B10R0.74 CNC(=O)CCNCCSC 34a_100000738227_100000212216 [0,1,0,0,0,0|2,0,0]=3 4727 B10R0.74 CNC(=O)CCOCCCBr 34a_100011217188_100012179268 [0,1,0,0,0,0|2,0,0]=3 4728 B10R0.74 CNC(=O)CCOCCCCl 34a_100000230001_100012179268 [0,1,0,0,0,0|2,0,0]=3 4729 B10R0.74 CNC(=O)CCOCCCF 34a_100000754576_100011934791 [0,1,0,0,0,0|2,0,0]=3 4730 B10R0.74 CNC(=O)CCOCCCF 34a_100000759539_100012179268 [0,1,0,0,0,0|2,0,0]=3 4731 B10R0.74 CNC(=O)CCOCCCN 34a_100000182051_100012179268 [0,1,0,0,0,0|2,0,0]=3 4732 B10R0.74 CNC(=O)CCOCCCO 34a_100000754576_100000230001 [0,1,0,0,0,0|2,0,0]=3 4733 B10R0.74 CNC(=O)CCOCCOC 11a_106832991635_100000745395 [0,1,0,0,0,0|2,0,0]=3 4734 B10R0.74 CNC(=O)CCOCCOC 1626a_100102657272_100000745395 [0,1,0,0,0,0|2,0,0]=3 4735 B10R0.74 CNC(=O)CCOCCOC 240690a_100102657272_100000745395 [0,1,0,0,0,0|2,0,0]=3 4736 B10R0.74 CNC(=O)CCOCCOC 34a_100000210237_100012179268 [0,1,0,0,0,0|2,0,0]=3 4737 B10R0.74 CNC(=O)CCOCCOC 34a_100000754576_100011201679 [0,1,0,0,0,0|2,0,0]=3 4738 B10R0.74 CNC(=O)CCOCCOC 527a_100102657272_100000745395 [0,1,0,0,0,0|2,0,0]=3 4739 B10R0.74 CNC(=O)CCOCCON 34a_100000700252_100012179268 [0,1,0,0,0,0|3,0,0]=4 4740 B10R0.74 CNC(=O)CCOCCSC 34a_100000230434_100012179268 [0,1,0,0,0,0|2,0,0]=3 4741 B10R0.74 CNC(=O)CCOCCSC 34a_100000754576_100000212216 [0,1,0,0,0,0|2,0,0]=3 4742 B10R0.74 CNC(=O)CCOCCSC 7a_100000230434_100000737683 [0,1,0,0,0,0|2,0,0]=3 4743 B10R0.74 CNC(=O)CCSCCC#N 62a_100000737683_100011215226 [0,1,0,0,0,0|2,0,1]=4 4744 B10R0.74 CNC(=O)CCSCCC#N 62a_100011215226_100000737683 [0,1,0,0,0,0|2,0,1]=4 4745 B10R0.74 CNC(=O)CCSCCCF 62a_100000737683_100011934791 [0,1,0,0,0,0|2,0,0]=3 4746 B10R0.74 CNC(=O)CCSCCCF 62a_100011934791_100000737683 [0,1,0,0,0,0|2,0,0]=3 4747 B10R0.74 CNC(=O)CCSCCCO 62a_100000737683_100011215043 [0,1,0,0,0,0|2,0,0]=3 4748 B10R0.74 CNC(=O)CCSCCCO 62a_100011215043_100000737683 [0,1,0,0,0,0|2,0,0]=3 4749 B10R0.74 CNC(=O)CCSCCOC 62a_100000233755_100000737683 [0,1,0,0,0,0|2,0,0]=3 4750 B10R0.74 CNC(=O)CCSCCOC 62a_100000737683_100000233755 [0,1,0,0,0,0|2,0,0]=3 4751 B10R0.74 CNC(=O)CCSCCSC 62a_100000212216_100000737683 [0,1,0,0,0,0|2,0,0]=3 4752 B10R0.74 CNC(=O)CCSCCSC 62a_100000737683_100000751147 [0,1,0,0,0,0|2,0,0]=3 4753 B10R0.74 CNC(=O)CNCCCC#N 2230a_100000693194_100000687738 [0,1,0,0,0,0|2,0,1]=4 4754 B10R0.74 CNC(=O)CNCCCC=O 2230a_100000693194_200011292268 [0,1,0,0,0,0|2,0,1]=4 4755 B10R0.74 CNC(=O)CNCCCCF 2230a_100000693194_100000729493 [0,1,0,0,0,0|2,0,0]=3 4756 B10R0.74 CNC(=O)CNCCCCO 2230a_100000693194_100000210776 [0,1,0,0,0,0|2,0,0]=3 4757 B10R0.74 CNC(=O)CNCCCCO 2230a_100000750430_100000183359 [0,1,0,0,0,0|2,0,0]=3 4758 B10R0.74 CNC(=O)CNCCCCO 34a_100000750430_100000183359 [0,1,0,0,0,0|2,0,0]=3 4759 B10R0.74 CNC(=O)CNCCCOC 2230a_100000693194_100000740836 [0,1,0,0,0,0|2,0,0]=3 4760 B10R0.74 CNC(=O)CNCCCOC 34a_100150723488_100000183359 [0,1,0,0,0,0|2,0,0]=3 4761 B10R0.74 CNC(=O)CNCCCSC 2230a_100000749238_100000183359 [0,1,0,0,0,0|2,0,0]=3 4762 B10R0.74 CNC(=O)COCCCCBr 34a_100011216708_100000183359 [0,1,0,0,0,0|2,0,0]=3 4763 B10R0.74 CNC(=O)COCCCCCl 34a_100000210776_100000183359 [0,1,0,0,0,0|2,0,0]=3 4764 B10R0.74 CNC(=O)COCCCCCl 7a_100000210776_100000183359 [0,1,0,0,0,0|2,0,0]=3 4765 B10R0.74 CNC(=O)COCCCCF 34a_100000750040_100000729493 [0,1,0,0,0,0|2,0,0]=3 4766 B10R0.74 CNC(=O)COCCCCF 34a_100011995726_100000183359 [0,1,0,0,0,0|2,0,0]=3 4767 B10R0.74 CNC(=O)COCCCCF 7a_100011995726_100000183359 [0,1,0,0,0,0|2,0,0]=3 4768 B10R0.74 CNC(=O)COCCCCI 34a_200012148704_100000183359 [0,1,0,0,0,0|2,0,0]=3 4769 B10R0.74 CNC(=O)COCCCCN 34a_100000750430_100000183359 [0,1,0,0,0,0|2,0,0]=3 4770 B10R0.74 CNC(=O)COCCCCO 34a_100000750040_100011216708 [0,1,0,0,0,0|2,0,0]=3 4771 B10R0.74 CNC(=O)COCCCOC 34a_100000740835_100000183359 [0,1,0,0,0,0|2,0,0]=3 4772 B10R0.74 CNC(=O)COCCCOC 34a_100000750040_100000740836 [0,1,0,0,0,0|2,0,0]=3 4773 B10R0.74 CNC(=O)COCCCSC 34a_100000690336_100000183359 [0,1,0,0,0,0|2,0,0]=3 4774 B10R0.74 CNC(=O)COCCCSC 7a_100000690336_100000183359 [0,1,0,0,0,0|2,0,0]=3 4775 B10R0.74 CNC(=O)CSCCCC#N 62a_100000183359_100000687738 [0,1,0,0,0,0|2,0,1]=4 4776 B10R0.74 CNC(=O)CSCCCC#N 62a_100000687738_100000183359 [0,1,0,0,0,0|2,0,1]=4 4777 B10R0.74 CNC(=O)CSCCCC=O 62a_100000183359_200011292268 [0,1,0,0,0,0|2,0,1]=4 4778 B10R0.74 CNC(=O)CSCCCC=O 62a_200011292268_100000183359 [0,1,0,0,0,0|2,0,1]=4 4779 B10R0.74 CNC(=O)CSCCCCF 62a_100000183359_100000729493 [0,1,0,0,0,0|2,0,0]=3 4780 B10R0.74 CNC(=O)CSCCCCF 62a_100000729493_100000183359 [0,1,0,0,0,0|2,0,0]=3 4781 B10R0.74 CNC(=O)CSCCCCO 62a_100000183359_100000210776 [0,1,0,0,0,0|2,0,0]=3 4782 B10R0.74 CNC(=O)CSCCCCO 62a_100000210776_100000183359 [0,1,0,0,0,0|2,0,0]=3 4783 B10R0.74 CNC(=O)CSCCCOC 62a_100000183359_100000709357 [0,1,0,0,0,0|2,0,0]=3 4784 B10R0.74 CNC(=O)CSCCCOC 62a_100000709357_100000183359 [0,1,0,0,0,0|2,0,0]=3 4785 B10R0.74 CNC(=O)NCCCCC#N 2708a_100000751965_106832991635 [0,1,0,0,0,0|2,0,1]=4 4786 B10R0.74 CNC(=O)NCCCCC#N 2708a_100102657272_100000751965 [0,1,0,0,0,0|2,0,1]=4 4787 B10R0.74 CNC(=O)NCCCCC#N 273464a_100000751965_100102657272 [0,1,0,0,0,0|2,0,1]=4 4788 B10R0.74 CNC(=O)NCCCCC#N 273464a_100102657272_100000751965 [0,1,0,0,0,0|2,0,1]=4 4789 B10R0.74 CNC(=O)NCCCCC#N 512a_100000751965_100102657272 [0,1,0,0,0,0|2,0,1]=4 4790 B10R0.74 CNC(=O)NCCCCC#N 512a_106832991638_100000751965 [0,1,0,0,0,0|2,0,1]=4 4791 B10R0.74 CNC(=O)NCCCCCO 2708a_100102657272_100000762737 [0,1,0,0,0,0|2,0,0]=3 4792 B10R0.74 CNC(=O)NCCCCCO 273464a_100000762737_100102657272 [0,1,0,0,0,0|2,0,0]=3 4793 B10R0.74 CNC(=O)NCCCCCO 273464a_100102657272_100000762737 [0,1,0,0,0,0|2,0,0]=3 4794 B10R0.74 CNC(=O)NCCCCCO 512a_100000762737_100102657272 [0,1,0,0,0,0|2,0,0]=3 4795 B10R0.74 CNC(=O)NCCCCCO 512a_106832991638_100000762737 [0,1,0,0,0,0|2,0,0]=3 4796 B10R0.74 CNC(=O)NCCNCCF 34a_100015205895_100011217306 [0,1,0,0,0,0|3,0,0]=4 4797 B10R0.74 CNC(=O)NCCNCCO 34a_100015205895_100000211926 [0,1,0,0,0,0|3,0,0]=4 4798 B10R0.74 CNC(=O)NCCNCSC 34a_100015205895_100011218213 [0,1,0,0,0,0|3,0,0]=4 4799 B10R0.74 CNC(=O)NCCOCCO 2708a_100102657272_100000211614 [0,1,0,0,0,0|3,0,0]=4 4800 B10R0.74 CNC(=O)NCCOCCO 273464a_100000211614_100102657272 [0,1,0,0,0,0|3,0,0]=4 4801 B10R0.74 CNC(=O)NCCOCCO 273464a_100102657272_100000211614 [0,1,0,0,0,0|3,0,0]=4 4802 B10R0.74 CNC(=O)NCCOCCO 512a_100000211614_100102657272 [0,1,0,0,0,0|3,0,0]=4 4803 B10R0.74 CNC(=O)NCCSCCO 2708a_100102657272_100011219999 [0,1,0,0,0,0|3,0,0]=4 4804 B10R0.74 CNC(=O)NCCSCCO 273464a_100011219999_100102657272 [0,1,0,0,0,0|3,0,0]=4 4805 B10R0.74 CNC(=O)NCCSCCO 273464a_100102657272_100011219999 [0,1,0,0,0,0|3,0,0]=4 4806 B10R0.74 CNC(=O)NCCSCCO 512a_100011219999_100102657272 [0,1,0,0,0,0|3,0,0]=4 4807 B10R0.74 CNC(=O)NCCSCCO 512a_106832991638_100011219999 [0,1,0,0,0,0|3,0,0]=4 4808 B10R0.74 CNC(=O)NNCCCOC 273464a_100102657272_100025702787 [0,1,0,0,0,0|3,0,0]=4 4809 B10R0.74 CNC(=O)NNCCCOC 512a_106832991638_100025702787 [0,1,0,0,0,0|3,0,0]=4 4810 B10R0.74 CNC(=O)OCCNCCF 34a_100000724931_200011997002 [0,1,0,0,0,0|3,0,0]=4 4811 B10R0.74 CNC(=O)OCCNCCO 34a_100016990907_200011997002 [0,1,0,0,0,0|3,0,0]=4 4812 B10R0.74 CNC(=O)OCCOCCBr 34a_100000211926_200011997002 [0,1,0,0,0,0|3,0,0]=4 4813 B10R0.74 CNC(=O)OCCOCCN 34a_100000210304_200011997002 [0,1,0,0,0,0|3,0,0]=4 4814 B10R0.74 CNC(=O)OCCSCCF 62a_100011217306_200011997002 [0,1,0,0,0,0|3,0,0]=4 4815 B10R0.74 CNC(=O)OCCSCCF 62a_200011997002_100011217306 [0,1,0,0,0,0|3,0,0]=4 4816 B10R0.74 CNC(=O)OCCSCCO 62a_100000211926_200011997002 [0,1,0,0,0,0|3,0,0]=4 4817 B10R0.74 CNC(=O)OCCSCCO 62a_200011997002_100000211926 [0,1,0,0,0,0|3,0,0]=4 4818 B10R0.74 CNC(=O)OCCSCOC 62a_100000766300_200011997002 [0,1,0,0,0,0|3,0,0]=4 4819 B10R0.74 CNC(=O)OCCSCOC 62a_200011997002_100000766300 [0,1,0,0,0,0|3,0,0]=4 4820 B10R0.74 CNC(=O)OCCSCSC 62a_100011218213_200011997002 [0,1,0,0,0,0|3,0,0]=4 4821 B10R0.74 CNC(=O)OCCSCSC 62a_200011997002_100011218213 [0,1,0,0,0,0|3,0,0]=4 4822 B10R0.74 CNCCCCCC(=O)OC 2230a_106832991635_100009816466 [0,1,0,0,0,0|1,0,0]=2 4823 B10R0.74 CNCCCCCC(=O)OC 34a_100102657272_100009816466 [0,1,0,0,0,0|1,0,0]=2 4824 B10R0.74 CNCCCCCC(=O)OC 7a_106832991635_100009816466 [0,1,0,0,0,0|1,0,0]=2 4825 B10R0.74 CNCCCOCC(=O)NC 34a_100000213112_100000183359 [0,1,0,0,0,0|2,0,0]=3 4826 B10R0.74 CNCCCOCC(=O)OC 34a_100000213112_100000747449 [0,1,0,0,0,0|2,0,0]=3 4827 B10R0.74 COC(=O)CCCCCO[13CH3] 34a_100000074720_200025704644 [0,1,0,0,0,0|1,0,0]=2 4828 B10R0.74 COC(=O)CCCCCO[13CH3] 7a_100000074720_200025704644 [0,1,0,0,0,0|1,0,0]=2 4829 B10R0.74 COC(=O)CCCCCSC 62a_100009816466_200000210301 [0,1,0,0,0,0|1,0,0]=2 4830 B10R0.74 COC(=O)CCCCCSC 62a_200000210301_100009816466 [0,1,0,0,0,0|1,0,0]=2 4831 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_100009816466_200025704644 [0,1,0,0,0,0|1,0,0]=2 4832 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_200025704644_100009816466 [0,1,0,0,0,0|1,0,0]=2 4833 B10R0.74 COC(=O)CCCCOCF 34a_100000059025_100015361967 [0,1,0,0,0,0|2,0,0]=3 4834 B10R0.74 COC(=O)CCCCOCF 7a_100000059025_100015361967 [0,1,0,0,0,0|2,0,0]=3 4835 B10R0.74 COC(=O)CCCCSCF 62a_100000204269_100015361967 [0,1,0,0,0,0|2,0,0]=3 4836 B10R0.74 COC(=O)CCCCSCF 62a_100015361967_100000204269 [0,1,0,0,0,0|2,0,0]=3 4837 B10R0.74 COC(=O)CCCNCCF 34a_100000724931_100000742333 [0,1,0,0,0,0|2,0,0]=3 4838 B10R0.74 COC(=O)CCCNCCO 2230a_100016997473_100011218270 [0,1,0,0,0,0|2,0,0]=3 4839 B10R0.74 COC(=O)CCCNCCO 34a_100016990907_100000742333 [0,1,0,0,0,0|2,0,0]=3 4840 B10R0.74 COC(=O)CCCOCCBr 34a_100000211926_100000742333 [0,1,0,0,0,0|2,0,0]=3 4841 B10R0.74 COC(=O)CCCOCCN 34a_100000210304_100000742333 [0,1,0,0,0,0|2,0,0]=3 4842 B10R0.74 COC(=O)CCCSCC#N 62a_100011215382_100011218270 [0,1,0,0,0,0|2,0,1]=4 4843 B10R0.74 COC(=O)CCCSCC#N 62a_100011218270_100011215382 [0,1,0,0,0,0|2,0,1]=4 4844 B10R0.74 COC(=O)CCCSCC=O 62a_100011218270_200015260668 [0,1,0,0,0,0|2,0,1]=4 4845 B10R0.74 COC(=O)CCCSCC=O 62a_200015260668_100011218270 [0,1,0,0,0,0|2,0,1]=4 4846 B10R0.74 COC(=O)CCCSCCF 62a_100011217306_100011218270 [0,1,0,0,0,0|2,0,0]=3 4847 B10R0.74 COC(=O)CCCSCCF 62a_100011218270_100011217306 [0,1,0,0,0,0|2,0,0]=3 4848 B10R0.74 COC(=O)CCCSCCO 62a_100000211926_100011218270 [0,1,0,0,0,0|2,0,0]=3 4849 B10R0.74 COC(=O)CCCSCCO 62a_100011218270_100000211926 [0,1,0,0,0,0|2,0,0]=3 4850 B10R0.74 COC(=O)CCCSCSC 62a_100011218213_100011218270 [0,1,0,0,0,0|2,0,0]=3 4851 B10R0.74 COC(=O)CCCSCSC 62a_100011218270_100011218213 [0,1,0,0,0,0|2,0,0]=3 4852 B10R0.74 COC(=O)CCNCCCF 2230a_100015189416_100000204255 [0,1,0,0,0,0|2,0,0]=3 4853 B10R0.74 COC(=O)CCNCCCF 34a_100015189416_100000742370 [0,1,0,0,0,0|2,0,0]=3 4854 B10R0.74 COC(=O)CCNCCSC 2230a_100020590264_100000204255 [0,1,0,0,0,0|2,0,0]=3 4855 B10R0.74 COC(=O)CCOCCCBr 34a_100011217188_100000742370 [0,1,0,0,0,0|2,0,0]=3 4856 B10R0.74 COC(=O)CCOCCCCl 34a_100000230001_100000742370 [0,1,0,0,0,0|2,0,0]=3 4857 B10R0.74 COC(=O)CCOCCCF 34a_100000759539_100000742370 [0,1,0,0,0,0|2,0,0]=3 4858 B10R0.74 COC(=O)CCOCCCN 34a_100000182051_100000742370 [0,1,0,0,0,0|2,0,0]=3 4859 B10R0.74 COC(=O)CCOCCON 34a_100000700252_100000742370 [0,1,0,0,0,0|3,0,0]=4 4860 B10R0.74 COC(=O)CCOCCSC 34a_100000230434_100000742370 [0,1,0,0,0,0|2,0,0]=3 4861 B10R0.74 COC(=O)CCOCCSC 7a_100000230434_100000204255 [0,1,0,0,0,0|2,0,0]=3 4862 B10R0.74 COC(=O)CCSCCC#N 62a_100000204255_100011215226 [0,1,0,0,0,0|2,0,1]=4 4863 B10R0.74 COC(=O)CCSCCC#N 62a_100011215226_100000204255 [0,1,0,0,0,0|2,0,1]=4 4864 B10R0.74 COC(=O)CCSCCCF 62a_100000204255_100011934791 [0,1,0,0,0,0|2,0,0]=3 4865 B10R0.74 COC(=O)CCSCCCF 62a_100011934791_100000204255 [0,1,0,0,0,0|2,0,0]=3 4866 B10R0.74 COC(=O)CCSCCCO 62a_100000204255_100011215043 [0,1,0,0,0,0|2,0,0]=3 4867 B10R0.74 COC(=O)CCSCCCO 62a_100011215043_100000204255 [0,1,0,0,0,0|2,0,0]=3 4868 B10R0.74 COC(=O)CCSCCSC 62a_100000204255_100000751147 [0,1,0,0,0,0|2,0,0]=3 4869 B10R0.74 COC(=O)CCSCCSC 62a_100000212216_100000204255 [0,1,0,0,0,0|2,0,0]=3 4870 B10R0.74 COC(=O)CNCCCCO 2230a_100000750430_100000747449 [0,1,0,0,0,0|2,0,0]=3 4871 B10R0.74 COC(=O)CNCCCCO 34a_100000750430_100000747449 [0,1,0,0,0,0|2,0,0]=3 4872 B10R0.74 COC(=O)CNCCCSC 2230a_100000749238_100000747449 [0,1,0,0,0,0|2,0,0]=3 4873 B10R0.74 COC(=O)COCCCCBr 34a_100011216708_100000747449 [0,1,0,0,0,0|2,0,0]=3 4874 B10R0.74 COC(=O)COCCCCCl 34a_100000210776_100000747449 [0,1,0,0,0,0|2,0,0]=3 4875 B10R0.74 COC(=O)COCCCCCl 7a_100000210776_100000747449 [0,1,0,0,0,0|2,0,0]=3 4876 B10R0.74 COC(=O)COCCCCF 34a_100011995726_100000747449 [0,1,0,0,0,0|2,0,0]=3 4877 B10R0.74 COC(=O)COCCCCF 7a_100011995726_100000747449 [0,1,0,0,0,0|2,0,0]=3 4878 B10R0.74 COC(=O)COCCCCI 34a_200012148704_100000747449 [0,1,0,0,0,0|2,0,0]=3 4879 B10R0.74 COC(=O)COCCCCN 34a_100000750430_100000747449 [0,1,0,0,0,0|2,0,0]=3 4880 B10R0.74 COC(=O)COCCCSC 34a_100000690336_100000747449 [0,1,0,0,0,0|2,0,0]=3 4881 B10R0.74 COC(=O)COCCCSC 7a_100000690336_100000747449 [0,1,0,0,0,0|2,0,0]=3 4882 B10R0.74 COC(=O)COCCSCF 62a_100000090808_100015361967 [0,1,0,0,0,0|3,0,0]=4 4883 B10R0.74 COC(=O)COCCSCF 62a_100015361967_100000090808 [0,1,0,0,0,0|3,0,0]=4 4884 B10R0.74 COC(=O)CSCCCC#N 62a_100000687738_100000747449 [0,1,0,0,0,0|2,0,1]=4 4885 B10R0.74 COC(=O)CSCCCC#N 62a_100000747449_100000687738 [0,1,0,0,0,0|2,0,1]=4 4886 B10R0.74 COC(=O)CSCCCC=O 62a_100000747449_200011292268 [0,1,0,0,0,0|2,0,1]=4 4887 B10R0.74 COC(=O)CSCCCC=O 62a_200011292268_100000747449 [0,1,0,0,0,0|2,0,1]=4 4888 B10R0.74 COC(=O)CSCCCCF 62a_100000729493_100000747449 [0,1,0,0,0,0|2,0,0]=3 4889 B10R0.74 COC(=O)CSCCCCF 62a_100000747449_100000729493 [0,1,0,0,0,0|2,0,0]=3 4890 B10R0.74 COC(=O)CSCCCCO 62a_100000210776_100000747449 [0,1,0,0,0,0|2,0,0]=3 4891 B10R0.74 COC(=O)CSCCCCO 62a_100000747449_100000210776 [0,1,0,0,0,0|2,0,0]=3 4892 B10R0.74 COC(=O)NCCOCCF 34a_100000757965_100011217306 [0,1,0,0,0,0|3,0,0]=4 4893 B10R0.74 COC(=O)NCCOCCO 34a_100000757965_100000211926 [0,1,0,0,0,0|3,0,0]=4 4894 B10R0.74 COC(=O)NCCOCSC 34a_100000757965_100011218213 [0,1,0,0,0,0|3,0,0]=4 4895 B10R0.74 COC(=O)OCCOCCF 34a_100010262106_100011217306 [0,1,0,0,0,0|3,0,0]=4 4896 B10R0.74 COC(=O)OCCOCCO 34a_100010262106_100000211926 [0,1,0,0,0,0|3,0,0]=4 4897 B10R0.74 COC(=O)OCCOCSC 34a_100010262106_100011218213 [0,1,0,0,0,0|3,0,0]=4 4898 B10R0.74 COC(=O)OCSCCCF 62a_100011934791_100000139417 [0,1,0,0,0,0|3,0,0]=4 4899 B10R0.74 COC(=O)OCSCCCO 62a_100011215043_100000139417 [0,1,0,0,0,0|3,0,0]=4 4900 B10R0.74 COC(=O)OCSCCSC 62a_100000212216_100000139417 [0,1,0,0,0,0|3,0,0]=4 4901 B10R0.74 COCCCCCC(=O)CF 1458a_100011935119_100015361967 [0,1,0,0,0,0|1,0,0]=2 4902 B10R0.74 COCCCCCC(=O)OC 34a_100000074720_200000210301 [0,1,0,0,0,0|1,0,0]=2 4903 B10R0.74 COCCCCCC(=O)OC 34a_100138415774_100009816466 [0,1,0,0,0,0|1,0,0]=2 4904 B10R0.74 COCCCCCC(=O)OC 7a_100000074720_200000210301 [0,1,0,0,0,0|1,0,0]=2 4905 B10R0.74 COCCCNCC(=O)OC 34a_100150723488_100000747449 [0,1,0,0,0,0|2,0,0]=3 4906 B10R0.74 COCCCNNC(=O)CO 22a_100025702787_100000210174 [0,1,0,0,0,0|3,0,0]=4 4907 B10R0.74 COCCCOCC(=O)OC 34a_100000740835_100000747449 [0,1,0,0,0,0|2,0,0]=3 4908 B10R0.74 COCCCSCC(=O)OC 62a_100000709357_100000747449 [0,1,0,0,0,0|2,0,0]=3 4909 B10R0.74 COCCCSCC(=O)OC 62a_100000747449_100000709357 [0,1,0,0,0,0|2,0,0]=3 4910 B10R0.74 COCCNCCC(=O)OC 2230a_100000209980_100000204255 [0,1,0,0,0,0|2,0,0]=3 4911 B10R0.74 COCCOCCC(=O)CF 1458a_100000745395_100015361967 [0,1,0,0,0,0|2,0,0]=3 4912 B10R0.74 COCCOCCC(=O)CO 1458a_100000210174_100000695917 [0,1,0,0,0,0|2,0,0]=3 4913 B10R0.74 COCCOCCC(=O)OC 34a_100000210237_100000742370 [0,1,0,0,0,0|2,0,0]=3 4914 B10R0.74 COCCSCCC(=O)OC 62a_100000204255_100000233755 [0,1,0,0,0,0|2,0,0]=3 4915 B10R0.74 COCCSCCC(=O)OC 62a_100000233755_100000204255 [0,1,0,0,0,0|2,0,0]=3 4916 B10R0.74 COCCSCOC(=O)OC 62a_100000233755_100000139417 [0,1,0,0,0,0|3,0,0]=4 4917 B10R0.74 COCSCCCC(=O)OC 62a_100000766300_100011218270 [0,1,0,0,0,0|2,0,0]=3 4918 B10R0.74 COCSCCCC(=O)OC 62a_100011218270_100000766300 [0,1,0,0,0,0|2,0,0]=3 4919 B10R0.74 CSCOCCCC(=O)NN 34a_100000211488_100011218213 [0,1,0,0,0,0|3,0,0]=4 4920 B10R0.74 N#CCCCCCC(=O)CO 1458a_100000210174_100009813376 [0,1,0,0,0,0|1,0,1]=3 4921 B10R0.74 N#CCCCCNC(=O)CO 240690a_100000751965_100000210174 [0,1,0,0,0,0|2,0,1]=4 4922 B10R0.74 N#CCCCCNC(=O)CO 527a_100000751965_100000210174 [0,1,0,0,0,0|2,0,1]=4 4923 B10R0.74 NNC(=O)CCCOCCF 34a_100000211488_100011217306 [0,1,0,0,0,0|3,0,0]=4 4924 B10R0.74 NNC(=O)CCCOCCO 34a_100000211488_100000211926 [0,1,0,0,0,0|3,0,0]=4 4925 B10R0.74 O=C(CF)CCCCCCO 1458a_100011996774_100015361967 [0,1,0,0,0,0|1,0,0]=2 4926 B10R0.74 O=C(CO)CCCCCCF 1458a_100000210174_100015922095 [0,1,0,0,0,0|1,0,0]=2 4927 B10R0.74 O=C(CO)CCCCCCO 1458a_100000210174_100000766143 [0,1,0,0,0,0|1,0,0]=2 4928 B10R0.74 O=C(CO)NCCCCCO 240690a_100000762737_100000210174 [0,1,0,0,0,0|2,0,0]=3 4929 B10R0.74 O=C(CO)NCCOCCO 240690a_100000211614_100000210174 [0,1,0,0,0,0|3,0,0]=4 4930 B10R0.74 O=C(CO)NCCSCCO 240690a_100011219999_100000210174 [0,1,0,0,0,0|3,0,0]=4 4931 B10R0.74 O=C(CO)NCCSCCO 527a_100011219999_100000210174 [0,1,0,0,0,0|3,0,0]=4 4932 B10R0.74 [N-]=[N+]=NCCCCC(=O)CF 1458a_100000070148_100015361967 [0,1,0,0,0,0|3,0,0]=4 4933 B10R0.75 C#CCCCCC(=O)C(=C)C 1458a_100000185857_100010269958 [0,1,0,0,0,0|0,0,3]=4 4934 B10R0.75 C#CCCCCC(=O)C(C)C 1458a_100000210198_100010269958 [0,1,0,0,0,0|0,0,2]=3 4935 B10R0.75 C#CCCCCC(=O)C(C)C 1458a_100000696528_100000210206 [0,1,0,0,0,0|0,0,2]=3 4936 B10R0.75 C#CCCCCC(=O)C(C)F 1458a_100000062450_100010269958 [0,1,0,0,0,0|0,0,2]=3 4937 B10R0.75 C#CCCCCC(=O)C(O)O 1458a_100000233687_100010269958 [0,1,0,0,0,0|1,0,2]=4 4938 B10R0.75 C#CCCCCC(=O)N(C)C 11a_100102631434_100000696528 [0,1,0,0,0,0|1,0,2]=4 4939 B10R0.75 C#CCCCCC(=O)N(C)C 1626a_100102631434_100000696528 [0,1,0,0,0,0|1,0,2]=4 4940 B10R0.75 C#CCCCCC(=O)N(C)C 240690a_100102631434_100000696528 [0,1,0,0,0,0|1,0,2]=4 4941 B10R0.75 C#CCCCCC(=O)N(C)C 527a_100102631434_100000696528 [0,1,0,0,0,0|1,0,2]=4 4942 B10R0.75 C#CCCCCC(=O)[C@@H](C)O 1458a_100000717761_100010269958 [0,1,0,0,0,0|0,0,2]=3 4943 B10R0.75 C#CCCCCC(=O)[C@H](C)O 1458a_217856618621_100010269958 [0,1,0,0,0,0|0,0,2]=3 4944 B10R0.75 C#CCCCNC(=O)C(C)C 11a_100000718082_100000210198 [0,1,0,0,0,0|1,0,2]=4 4945 B10R0.75 C#CCCCNC(=O)C(C)C 1626a_100000718082_100000210198 [0,1,0,0,0,0|1,0,2]=4 4946 B10R0.75 C#CCCCNC(=O)C(C)C 240690a_100000718082_100000210198 [0,1,0,0,0,0|1,0,2]=4 4947 B10R0.75 C#CCCCNC(=O)C(C)C 527a_100000718082_100000210198 [0,1,0,0,0,0|1,0,2]=4 4948 B10R0.75 C#CCCCNC(=O)C(C)F 11a_100000718082_100000062450 [0,1,0,0,0,0|1,0,2]=4 4949 B10R0.75 C#CCCCNC(=O)C(C)F 1626a_100000718082_100000062450 [0,1,0,0,0,0|1,0,2]=4 4950 B10R0.75 C#CCCCNC(=O)C(C)F 240690a_100000718082_100000062450 [0,1,0,0,0,0|1,0,2]=4 4951 B10R0.75 C#CCCCNC(=O)C(C)F 527a_100000718082_100000062450 [0,1,0,0,0,0|1,0,2]=4 4952 B10R0.75 C#CCCCNC(=O)[C@@H](C)O 240690a_100000718082_100000717761 [0,1,0,0,0,0|1,0,2]=4 4953 B10R0.75 C#CCCCNC(=O)[C@H](C)O 1626a_100000718082_217856618621 [0,1,0,0,0,0|1,0,2]=4 4954 B10R0.75 C#CCCCNC(=O)[C@H](C)O 240690a_100000718082_217856618621 [0,1,0,0,0,0|1,0,2]=4 4955 B10R0.75 C#CCCNCC(=O)C(C)C 34a_100000755551_100000753385 [0,1,0,0,0,0|1,0,2]=4 4956 B10R0.75 C#CCCOCC(=O)C(C)C 34a_100011215631_100000753385 [0,1,0,0,0,0|1,0,2]=4 4957 B10R0.75 C#CCCSCC(=O)C(C)C 62a_100000688953_100000753385 [0,1,0,0,0,0|1,0,2]=4 4958 B10R0.75 C#CCCSCC(=O)C(C)C 62a_100000753385_100000688953 [0,1,0,0,0,0|1,0,2]=4 4959 B10R0.75 C#CCOCCC(=O)C(C)C 1458a_100000210198_100010402529 [0,1,0,0,0,0|1,0,2]=4 4960 B10R0.75 C#CCOCCC(=O)C(C)C 1458a_100000693358_100000210206 [0,1,0,0,0,0|1,0,2]=4 4961 B10R0.75 C#CCOCCC(=O)C(C)F 1458a_100000062450_100010402529 [0,1,0,0,0,0|1,0,2]=4 4962 B10R0.75 C#CCOCCC(=O)[C@@H](C)O 1458a_100000717761_100010402529 [0,1,0,0,0,0|1,0,2]=4 4963 B10R0.75 C#CCOCCC(=O)[C@H](C)O 1458a_217856618621_100010402529 [0,1,0,0,0,0|1,0,2]=4 4964 B10R0.75 C/C=C/COCC(=O)C(C)C 34a_100016270725_100000753385 [0,1,0,0,0,0|1,0,2]=4 4965 B10R0.75 C/C=C/CSCC(=O)C(C)C 62a_100000753385_100102629194 [0,1,0,0,0,0|1,0,2]=4 4966 B10R0.75 C/C=C/CSCC(=O)C(C)C 62a_100102629194_100000753385 [0,1,0,0,0,0|1,0,2]=4 4967 B10R0.75 C=C(Br)C(=O)NCCCCC 11a_100000209983_100009813364 [0,1,0,0,0,0|1,0,2]=4 4968 B10R0.75 C=C(Br)C(=O)NCCCCC 1626a_100000209983_100009813364 [0,1,0,0,0,0|1,0,2]=4 4969 B10R0.75 C=C(C)C(=O)CC/C=C\CC 1458a_100000185857_100015370543 [0,1,0,0,0,0|0,0,3]=4 4970 B10R0.75 C=C(C)C(=O)CCCCC#N 1458a_100000185857_100000211819 [0,1,0,0,0,0|1,0,2]=4 4971 B10R0.75 C=C(C)C(=O)CCCCCC 1458a_100000185857_100000210757 [0,1,0,0,0,0|0,0,1]=2 4972 B10R0.75 C=C(C)C(=O)CCCCCF 1458a_100000185857_100000729378 [0,1,0,0,0,0|1,0,1]=3 4973 B10R0.75 C=C(C)C(=O)CCCCCO 1458a_100000185857_100000746330 [0,1,0,0,0,0|1,0,1]=3 4974 B10R0.75 C=C(C)C(=O)CCCCOC 1458a_100000185857_100000755781 [0,1,0,0,0,0|1,0,1]=3 4975 B10R0.75 C=C(C)C(=O)CCCOCC 1458a_100000185857_100012232248 [0,1,0,0,0,0|1,0,1]=3 4976 B10R0.75 C=C(C)C(=O)CCOCCC 1458a_100000185857_100011215938 [0,1,0,0,0,0|1,0,1]=3 4977 B10R0.75 C=C(C)C(=O)CCOCCO 1458a_100000185857_100011215305 [0,1,0,0,0,0|2,0,1]=4 4978 B10R0.75 C=C(C)C(=O)COCCCC 1458a_100000185857_100011995733 [0,1,0,0,0,0|1,0,1]=3 4979 B10R0.75 C=C(C)C(=O)NCCCCC 11a_100000209983_100000185857 [0,1,0,0,0,0|1,0,1]=3 4980 B10R0.75 C=C(C)C(=O)NCCCCC 1626a_100000209983_100000185857 [0,1,0,0,0,0|1,0,1]=3 4981 B10R0.75 C=C(C)C(=O)NCCCNC 2230a_100016987756_200000210301 [0,1,0,0,0,0|2,0,1]=4 4982 B10R0.75 C=C(C)C(=O)NCCCN[13CH3] 2230a_100016987756_200025704644 [0,1,0,0,0,0|2,0,1]=4 4983 B10R0.75 C=C(C)C(=O)NCCCOC 1626a_100150723488_100000185857 [0,1,0,0,0,0|2,0,1]=4 4984 B10R0.75 C=C(C)C(=O)NCCCSC 11a_100000749238_100000185857 [0,1,0,0,0,0|2,0,1]=4 4985 B10R0.75 C=C(C)C(=O)NCCCSC 1626a_100000749238_100000185857 [0,1,0,0,0,0|2,0,1]=4 4986 B10R0.75 C=C(C)C(=O)NCCNCC 2230a_100102636416_100000210202 [0,1,0,0,0,0|2,0,1]=4 4987 B10R0.75 C=C(C)C(=O)NCCOCC 11a_100011200944_100000185857 [0,1,0,0,0,0|2,0,1]=4 4988 B10R0.75 C=C(C)C(=O)NCCOCC 1626a_102516460346_100000185857 [0,1,0,0,0,0|2,0,1]=4 4989 B10R0.75 C=C(C)C(=O)NCCSCC 11a_100000106463_100000185857 [0,1,0,0,0,0|2,0,1]=4 4990 B10R0.75 C=C(C)C(=O)NCCSCC 1626a_100000106463_100000185857 [0,1,0,0,0,0|2,0,1]=4 4991 B10R0.75 C=C(C)C(=O)NNCCCC 22a_100025702795_100000185857 [0,1,0,0,0,0|2,0,1]=4 4992 B10R0.75 C=C(C)C(=O)OCCCOC 7a_100000032641_200000210301 [0,1,0,0,0,0|2,0,1]=4 4993 B10R0.75 C=C(C)C(=O)OCCCO[13CH3] 7a_100000032641_200025704644 [0,1,0,0,0,0|2,0,1]=4 4994 B10R0.75 C=C(C)C(=O)OCCNCC 2230a_100015525214_100009816335 [0,1,0,0,0,0|2,0,1]=4 4995 B10R0.75 C=C(C)C(=O)OCCOCC 34a_100121572206_100009816335 [0,1,0,0,0,0|2,0,1]=4 4996 B10R0.75 C=C(C)C(=O)OCCSCC 62a_100000210202_100009816335 [0,1,0,0,0,0|2,0,1]=4 4997 B10R0.75 C=C(C)C(=O)OCCSCC 62a_100009816335_100000210202 [0,1,0,0,0,0|2,0,1]=4 4998 B10R0.75 C=C(Cl)C(=O)NCCCCC 11a_100000209983_100000039160 [0,1,0,0,0,0|1,0,2]=4 4999 B10R0.75 C=C(Cl)C(=O)NCCCCC 1626a_100000209983_100000039160 [0,1,0,0,0,0|1,0,2]=4 5000 B10R0.75 C=C(F)C(=O)NCCCCC 11a_100000209983_100000036797 [0,1,0,0,0,0|1,0,2]=4 5001 B10R0.75 C=C(F)C(=O)NCCCCC 1626a_100000209983_100000036797 [0,1,0,0,0,0|1,0,2]=4 5002 B10R0.75 C=CCCCCC(=O)C(=C)C 1458a_100000185857_100011215482 [0,1,0,0,0,0|0,0,3]=4 5003 B10R0.75 C=CCCCCC(=O)C(C)C 1458a_100000210198_100011215482 [0,1,0,0,0,0|0,0,2]=3 5004 B10R0.75 C=CCCCCC(=O)C(C)C 1458a_100011215552_100000210206 [0,1,0,0,0,0|0,0,2]=3 5005 B10R0.75 C=CCCCCC(=O)C(C)F 1458a_100000062450_100011215482 [0,1,0,0,0,0|0,0,2]=3 5006 B10R0.75 C=CCCCCC(=O)C(O)O 1458a_100000233687_100011215482 [0,1,0,0,0,0|1,0,2]=4 5007 B10R0.75 C=CCCCCC(=O)N(C)C 11a_100102631434_100011215552 [0,1,0,0,0,0|1,0,2]=4 5008 B10R0.75 C=CCCCCC(=O)N(C)C 1626a_100102631434_100011215552 [0,1,0,0,0,0|1,0,2]=4 5009 B10R0.75 C=CCCCCC(=O)N(C)C 240690a_100102631434_100011215552 [0,1,0,0,0,0|1,0,2]=4 5010 B10R0.75 C=CCCCCC(=O)N(C)C 527a_100102631434_100011215552 [0,1,0,0,0,0|1,0,2]=4 5011 B10R0.75 C=CCCCCC(=O)[C@@H](C)O 1458a_100000717761_100011215482 [0,1,0,0,0,0|0,0,2]=3 5012 B10R0.75 C=CCCCCC(=O)[C@H](C)O 1458a_217856618621_100011215482 [0,1,0,0,0,0|0,0,2]=3 5013 B10R0.75 C=CCCCNC(=O)C(C)C 11a_100000700776_100000210198 [0,1,0,0,0,0|1,0,2]=4 5014 B10R0.75 C=CCCCNC(=O)C(C)C 1626a_100000700776_100000210198 [0,1,0,0,0,0|1,0,2]=4 5015 B10R0.75 C=CCCCNC(=O)C(C)C 240690a_100000700776_100000210198 [0,1,0,0,0,0|1,0,2]=4 5016 B10R0.75 C=CCCCNC(=O)C(C)C 527a_100000700776_100000210198 [0,1,0,0,0,0|1,0,2]=4 5017 B10R0.75 C=CCCCNC(=O)C(C)F 11a_100000700776_100000062450 [0,1,0,0,0,0|1,0,2]=4 5018 B10R0.75 C=CCCCNC(=O)C(C)F 1626a_100000700776_100000062450 [0,1,0,0,0,0|1,0,2]=4 5019 B10R0.75 C=CCCCNC(=O)C(C)F 240690a_100000700776_100000062450 [0,1,0,0,0,0|1,0,2]=4 5020 B10R0.75 C=CCCCNC(=O)C(C)F 527a_100000700776_100000062450 [0,1,0,0,0,0|1,0,2]=4 5021 B10R0.75 C=CCCCNC(=O)[C@@H](C)O 240690a_100000700776_100000717761 [0,1,0,0,0,0|1,0,2]=4 5022 B10R0.75 C=CCCCNC(=O)[C@H](C)O 1626a_100000700776_217856618621 [0,1,0,0,0,0|1,0,2]=4 5023 B10R0.75 C=CCCCNC(=O)[C@H](C)O 240690a_100000700776_217856618621 [0,1,0,0,0,0|1,0,2]=4 5024 B10R0.75 C=CCCNCC(=O)C(C)C 2230a_100015191253_100000753385 [0,1,0,0,0,0|1,0,2]=4 5025 B10R0.75 C=CCCOCC(=O)C(C)C 34a_100011205117_100000753385 [0,1,0,0,0,0|1,0,2]=4 5026 B10R0.75 C=CCCSCC(=O)C(C)C 62a_100000753385_100000754431 [0,1,0,0,0,0|1,0,2]=4 5027 B10R0.75 C=CCCSCC(=O)C(C)C 62a_100000754431_100000753385 [0,1,0,0,0,0|1,0,2]=4 5028 B10R0.75 C=CCOCCC(=O)C(C)C 1458a_200011217002_100000210206 [0,1,0,0,0,0|1,0,2]=4 5029 B10R0.75 CC#CCNCC(=O)C(C)C 2230a_100000685387_100000753385 [0,1,0,0,0,0|1,0,2]=4 5030 B10R0.75 CC#CCNCC(=O)C(C)C 34a_100000685387_100000753385 [0,1,0,0,0,0|1,0,2]=4 5031 B10R0.75 CC#CCOCC(=O)C(C)C 34a_100000761923_100000753385 [0,1,0,0,0,0|1,0,2]=4 5032 B10R0.75 CC#CCSCC(=O)C(C)C 62a_100000748600_100000753385 [0,1,0,0,0,0|1,0,2]=4 5033 B10R0.75 CC#CCSCC(=O)C(C)C 62a_100000753385_100000748600 [0,1,0,0,0,0|1,0,2]=4 5034 B10R0.75 CC(=O)C(=O)CNCCCF 34a_100015189416_100011261029 [0,1,0,0,0,0|2,0,1]=4 5035 B10R0.75 CC(=O)C(=O)COCCCBr 34a_100011217188_100011261029 [0,1,0,0,0,0|2,0,1]=4 5036 B10R0.75 CC(=O)C(=O)COCCCCl 34a_100000230001_100011261029 [0,1,0,0,0,0|2,0,1]=4 5037 B10R0.75 CC(=O)C(=O)COCCCF 34a_100000759539_100011261029 [0,1,0,0,0,0|2,0,1]=4 5038 B10R0.75 CC(=O)C(=O)COCCCN 34a_100000182051_100011261029 [0,1,0,0,0,0|2,0,1]=4 5039 B10R0.75 CC(=O)C(=O)CSCCCF 62a_100011261029_100011934791 [0,1,0,0,0,0|2,0,1]=4 5040 B10R0.75 CC(=O)C(=O)CSCCCF 62a_100011934791_100011261029 [0,1,0,0,0,0|2,0,1]=4 5041 B10R0.75 CC(=O)C(=O)CSCCCO 62a_100011215043_100011261029 [0,1,0,0,0,0|2,0,1]=4 5042 B10R0.75 CC(=O)C(=O)CSCCCO 62a_100011261029_100011215043 [0,1,0,0,0,0|2,0,1]=4 5043 B10R0.75 CC(C)C(=O)CCCCC#N 1458a_100000210198_100000211819 [0,1,0,0,0,0|1,0,1]=3 5044 B10R0.75 CC(C)C(=O)CCCCCF 1458a_100000210198_100000729378 [0,1,0,0,0,0|1,0,0]=2 5045 B10R0.75 CC(C)C(=O)CCCCCO 1458a_100000210198_100000746330 [0,1,0,0,0,0|1,0,0]=2 5046 B10R0.75 CC(C)C(=O)CCCCCO 1458a_100102619762_100000210206 [0,1,0,0,0,0|1,0,0]=2 5047 B10R0.75 CC(C)C(=O)CCCN=[N+]=[N-] 1458a_100010262590_100000210206 [0,1,0,0,0,0|3,0,0]=4 5048 B10R0.75 CC(C)C(=O)CCOCC#N 1458a_100000210198_200000047693 [0,1,0,0,0,0|2,0,1]=4 5049 B10R0.75 CC(C)C(=O)CCOCCO 1458a_100000210198_100011215305 [0,1,0,0,0,0|2,0,0]=3 5050 B10R0.75 CC(C)C(=O)CCOCCO 1458a_100011229844_100000210206 [0,1,0,0,0,0|2,0,0]=3 5051 B10R0.75 CC(C)C(=O)CNCCCF 2230a_100015189416_100000753385 [0,1,0,0,0,0|2,0,0]=3 5052 B10R0.75 CC(C)C(=O)CNCCCF 34a_100015189416_100000753385 [0,1,0,0,0,0|2,0,0]=3 5053 B10R0.75 CC(C)C(=O)COCCCBr 34a_100011217188_100000753385 [0,1,0,0,0,0|2,0,0]=3 5054 B10R0.75 CC(C)C(=O)COCCCCl 34a_100000230001_100000753385 [0,1,0,0,0,0|2,0,0]=3 5055 B10R0.75 CC(C)C(=O)COCCCF 34a_100000759539_100000753385 [0,1,0,0,0,0|2,0,0]=3 5056 B10R0.75 CC(C)C(=O)COCCCN 34a_100000182051_100000753385 [0,1,0,0,0,0|2,0,0]=3 5057 B10R0.75 CC(C)C(=O)COCCON 34a_100000700252_100000753385 [0,1,0,0,0,0|3,0,0]=4 5058 B10R0.75 CC(C)C(=O)CSCCC#N 62a_100000753385_100011215226 [0,1,0,0,0,0|2,0,1]=4 5059 B10R0.75 CC(C)C(=O)CSCCC#N 62a_100011215226_100000753385 [0,1,0,0,0,0|2,0,1]=4 5060 B10R0.75 CC(C)C(=O)CSCCCF 62a_100000753385_100011934791 [0,1,0,0,0,0|2,0,0]=3 5061 B10R0.75 CC(C)C(=O)CSCCCF 62a_100011934791_100000753385 [0,1,0,0,0,0|2,0,0]=3 5062 B10R0.75 CC(C)C(=O)CSCCCO 62a_100000753385_100011215043 [0,1,0,0,0,0|2,0,0]=3 5063 B10R0.75 CC(C)C(=O)CSCCCO 62a_100011215043_100000753385 [0,1,0,0,0,0|2,0,0]=3 5064 B10R0.75 CC(C)C(=O)NCCCCO 240690a_100000750430_100000210198 [0,1,0,0,0,0|2,0,0]=3 5065 B10R0.75 CC(C)C(=O)NCCCCO 527a_100000750430_100000210198 [0,1,0,0,0,0|2,0,0]=3 5066 B10R0.75 CC(C)C(=O)NCCNCF 34a_100000752568_100015361967 [0,1,0,0,0,0|3,0,0]=4 5067 B10R0.75 CC(C)C(=O)OCSCCF 62a_100000139345_100011217306 [0,1,0,0,0,0|3,0,0]=4 5068 B10R0.75 CC(C)C(=O)OCSCCF 62a_100011217306_100000139345 [0,1,0,0,0,0|3,0,0]=4 5069 B10R0.75 CC(C)C(=O)OCSCCO 62a_100000139345_100000211926 [0,1,0,0,0,0|3,0,0]=4 5070 B10R0.75 CC(C)C(=O)OCSCCO 62a_100000211926_100000139345 [0,1,0,0,0,0|3,0,0]=4 5071 B10R0.75 CC(C)N(C)CCCCCF 269982a_200000211004_100000729378 [0,1,0,0,0,0|3,0,0]=4 5072 B10R0.75 CC(C)N(C)CCCCCO 2230a_100000722520_100000210206 [0,1,0,0,0,0|3,0,0]=4 5073 B10R0.75 CC(C)N(C)CCCCCO 2230a_100011629493_200000210301 [0,1,0,0,0,0|3,0,0]=4 5074 B10R0.75 CC(C)N(C)CCCCCO 269982a_100000722520_100000210206 [0,1,0,0,0,0|3,0,0]=4 5075 B10R0.75 CC(C)N(C)CCCCCO 269982a_100011629493_200000210301 [0,1,0,0,0,0|3,0,0]=4 5076 B10R0.75 CC(C)N(C)CCCCCO 269982a_200000211004_100000746330 [0,1,0,0,0,0|3,0,0]=4 5077 B10R0.75 CC(C)N(C)CCCCCO 34a_100011629493_200000210301 [0,1,0,0,0,0|3,0,0]=4 5078 B10R0.75 CC(C)N([13CH3])CCCCCO 2230a_100011629493_200025704644 [0,1,0,0,0,0|3,0,0]=4 5079 B10R0.75 CC(C)N([13CH3])CCCCCO 269982a_100011629493_200025704644 [0,1,0,0,0,0|3,0,0]=4 5080 B10R0.75 CC(C)N([13CH3])CCCCCO 34a_100011629493_200025704644 [0,1,0,0,0,0|3,0,0]=4 5081 B10R0.75 CC(F)C(=O)CCCCC#N 1458a_100000062450_100000211819 [0,1,0,0,0,0|1,0,1]=3 5082 B10R0.75 CC(F)C(=O)CCCCCF 1458a_100000062450_100000729378 [0,1,0,0,0,0|1,0,0]=2 5083 B10R0.75 CC(F)C(=O)CCCCCO 1458a_100000062450_100000746330 [0,1,0,0,0,0|1,0,0]=2 5084 B10R0.75 CC(F)C(=O)CCOCC#N 1458a_100000062450_200000047693 [0,1,0,0,0,0|2,0,1]=4 5085 B10R0.75 CC(F)C(=O)CCOCCO 1458a_100000062450_100011215305 [0,1,0,0,0,0|2,0,0]=3 5086 B10R0.75 CC(F)C(=O)NCCCCO 240690a_100000750430_100000062450 [0,1,0,0,0,0|2,0,0]=3 5087 B10R0.75 CC(F)C(=O)NCCCCO 527a_100000750430_100000062450 [0,1,0,0,0,0|2,0,0]=3 5088 B10R0.75 CC/C=C\CCC(=O)C(C)C 1458a_100000210198_100015370543 [0,1,0,0,0,0|0,0,2]=3 5089 B10R0.75 CC/C=C\CCC(=O)C(C)F 1458a_100000062450_100015370543 [0,1,0,0,0,0|0,0,2]=3 5090 B10R0.75 CC/C=C\CCC(=O)C(O)O 1458a_100000233687_100015370543 [0,1,0,0,0,0|1,0,2]=4 5091 B10R0.75 CC/C=C\CCC(=O)[C@@H](C)O 1458a_100000717761_100015370543 [0,1,0,0,0,0|0,0,2]=3 5092 B10R0.75 CC/C=C\CCC(=O)[C@H](C)O 1458a_217856618621_100015370543 [0,1,0,0,0,0|0,0,2]=3 5093 B10R0.75 CC=CCSCC(=O)C(C)C 62a_100000070051_100000753385 [0,1,0,0,0,0|1,0,2]=4 5094 B10R0.75 CC=CCSCC(=O)C(C)C 62a_100000753385_100000070051 [0,1,0,0,0,0|1,0,2]=4 5095 B10R0.75 CCC/C=C/CC(=O)C(C)C 1458a_200016266809_100000210206 [0,1,0,0,0,0|0,0,2]=3 5096 B10R0.75 CCC/C=C/CC(=O)N(C)C 11a_100102631434_200016266809 [0,1,0,0,0,0|1,0,2]=4 5097 B10R0.75 CCC/C=C/CC(=O)N(C)C 1626a_100102631434_200016266809 [0,1,0,0,0,0|1,0,2]=4 5098 B10R0.75 CCC/C=C/CC(=O)N(C)C 240690a_100102631434_200016266809 [0,1,0,0,0,0|1,0,2]=4 5099 B10R0.75 CCC/C=C/CC(=O)N(C)C 527a_100102631434_200016266809 [0,1,0,0,0,0|1,0,2]=4 5100 B10R0.75 CCCC=NNC(=O)C(C)C 4a_100000184118_100000185831 [0,1,0,0,0,0|2,0,1]=4 5101 B10R0.75 CCCCC=CC(=O)C(C)C 1458a_100016266645_100000210206 [0,1,0,0,0,0|0,0,2]=3 5102 B10R0.75 CCCCC=CC(=O)N(C)C 11a_100102631434_100016266645 [0,1,0,0,0,0|1,0,2]=4 5103 B10R0.75 CCCCC=CC(=O)N(C)C 1626a_100102631434_100016266645 [0,1,0,0,0,0|1,0,2]=4 5104 B10R0.75 CCCCC=CC(=O)N(C)C 240690a_100102631434_100016266645 [0,1,0,0,0,0|1,0,2]=4 5105 B10R0.75 CCCCCCC(=O)C(C)C 1458a_100000210198_100000210757 [0,1,0,0,0,0|0,0,0]=1 5106 B10R0.75 CCCCCCC(=O)C(C)C 1458a_100102632555_100000210206 [0,1,0,0,0,0|0,0,0]=1 5107 B10R0.75 CCCCCCC(=O)C(C)F 1458a_100000062450_100000210757 [0,1,0,0,0,0|0,0,0]=1 5108 B10R0.75 CCCCCCC(=O)C(O)O 1458a_100000233687_100000210757 [0,1,0,0,0,0|1,0,0]=2 5109 B10R0.75 CCCCCCC(=O)N(C)C 11a_100102631434_100102632555 [0,1,0,0,0,0|1,0,0]=2 5110 B10R0.75 CCCCCCC(=O)N(C)C 1626a_100102631434_100102632555 [0,1,0,0,0,0|1,0,0]=2 5111 B10R0.75 CCCCCCC(=O)N(C)C 240690a_100102631434_100102632555 [0,1,0,0,0,0|1,0,0]=2 5112 B10R0.75 CCCCCCC(=O)N(C)C 527a_100102631434_100102632555 [0,1,0,0,0,0|1,0,0]=2 5113 B10R0.75 CCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210757 [0,1,0,0,0,0|0,0,0]=1 5114 B10R0.75 CCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210757 [0,1,0,0,0,0|0,0,0]=1 5115 B10R0.75 CCCCCCC(C)C(=O)C 1458a_100000070787_100011215978 [0,1,0,0,0,0|1,0,2]=4 5116 B10R0.75 CCCCCCC(C)N(C)C 2230a_100102631434_100011215978 [0,1,0,0,0,0|2,0,1]=4 5117 B10R0.75 CCCCCCC(C)N(C)C 269982a_100102631434_100011215978 [0,1,0,0,0,0|2,0,1]=4 5118 B10R0.75 CCCCCCC(C)N(C)C 270004a_100102631434_100000210826 [0,1,0,0,0,0|2,0,1]=4 5119 B10R0.75 CCCCCCC(O)C(=O)C 1458a_100011215828_200000210301 [0,1,0,0,0,0|0,0,3]=4 5120 B10R0.75 CCCCCCC(O)C(=O)[13CH3] 1458a_100011215828_200025704644 [0,1,0,0,0,0|0,0,3]=4 5121 B10R0.75 CCCCCCN(C)C(=O)C 11a_106256046315_100015343762 [0,1,0,0,0,0|2,0,1]=4 5122 B10R0.75 CCCCCCN(C)C(=O)C 1626a_106256046315_100015343762 [0,1,0,0,0,0|2,0,1]=4 5123 B10R0.75 CCCCCCN(C)C(=O)C 240690a_106256046315_100015343762 [0,1,0,0,0,0|2,0,1]=4 5124 B10R0.75 CCCCCCN(C)C(=O)C 527a_106256046315_100103153847 [0,1,0,0,0,0|2,0,1]=4 5125 B10R0.75 CCCCCCN(C)C(C)C 2230a_106256046315_100000210206 [0,1,0,0,0,0|2,0,0]=3 5126 B10R0.75 CCCCCCN(C)C(C)C 269982a_106256046315_100000210206 [0,1,0,0,0,0|2,0,0]=3 5127 B10R0.75 CCCCCCN(C)C(C)C 269982a_200000211004_100000210757 [0,1,0,0,0,0|2,0,0]=3 5128 B10R0.75 CCCCCNC(=O)C(=O)N 240690a_100000209983_100011215815 [0,1,0,0,0,0|2,0,1]=4 5129 B10R0.75 CCCCCNC(=O)C(C)C 11a_100000209983_100000210198 [0,1,0,0,0,0|1,0,0]=2 5130 B10R0.75 CCCCCNC(=O)C(C)C 1626a_100000209983_100000210198 [0,1,0,0,0,0|1,0,0]=2 5131 B10R0.75 CCCCCNC(=O)C(C)C 240690a_100000209983_100000210198 [0,1,0,0,0,0|1,0,0]=2 5132 B10R0.75 CCCCCNC(=O)C(C)C 527a_100000209983_100000210198 [0,1,0,0,0,0|1,0,0]=2 5133 B10R0.75 CCCCCNC(=O)C(C)F 11a_100000209983_100000062450 [0,1,0,0,0,0|1,0,0]=2 5134 B10R0.75 CCCCCNC(=O)C(C)F 1626a_100000209983_100000062450 [0,1,0,0,0,0|1,0,0]=2 5135 B10R0.75 CCCCCNC(=O)C(C)F 240690a_100000209983_100000062450 [0,1,0,0,0,0|1,0,0]=2 5136 B10R0.75 CCCCCNC(=O)C(C)F 527a_100000209983_100000062450 [0,1,0,0,0,0|1,0,0]=2 5137 B10R0.75 CCCCCNC(=O)C(F)F 11a_100000209983_100000210393 [0,1,0,0,0,0|2,0,0]=3 5138 B10R0.75 CCCCCNC(=O)C(F)F 1626a_100000209983_100000210393 [0,1,0,0,0,0|2,0,0]=3 5139 B10R0.75 CCCCCNC(=O)C(F)F 240690a_100000209983_100000210393 [0,1,0,0,0,0|2,0,0]=3 5140 B10R0.75 CCCCCNC(=O)C(F)F 527a_100000209983_100000210393 [0,1,0,0,0,0|2,0,0]=3 5141 B10R0.75 CCCCCNC(=O)C(O)O 240690a_100000209983_100000233687 [0,1,0,0,0,0|2,0,0]=3 5142 B10R0.75 CCCCCNC(=O)N(C)C 2708a_100000209983_100102631434 [0,1,0,0,0,0|2,0,0]=3 5143 B10R0.75 CCCCCNC(=O)[C@@H](C)O 240690a_100000209983_100000717761 [0,1,0,0,0,0|1,0,0]=2 5144 B10R0.75 CCCCCNC(=O)[C@H](C)O 1626a_100000209983_217856618621 [0,1,0,0,0,0|1,0,0]=2 5145 B10R0.75 CCCCCNC(=O)[C@H](C)O 240690a_100000209983_217856618621 [0,1,0,0,0,0|1,0,0]=2 5146 B10R0.75 CCCCCNC(C)C(C)C 2230a_100000211541_100000210326 [0,1,0,0,0,0|2,0,1]=4 5147 B10R0.75 CCCCCOC(C)C(C)C 7a_100000748068_100000210326 [0,1,0,0,0,0|2,0,1]=4 5148 B10R0.75 CCCCNCC(=O)C(C)C 2230a_100000102301_100000753385 [0,1,0,0,0,0|1,0,0]=2 5149 B10R0.75 CCCCNCC(=O)C(C)C 7a_106832991798_100000753385 [0,1,0,0,0,0|1,0,0]=2 5150 B10R0.75 CCCCNCC(=O)N(C)C 2230a_100000102301_100000185267 [0,1,0,0,0,0|2,0,0]=3 5151 B10R0.75 CCCCNCC(=O)N(C)C 2230a_100015183351_100000210211 [0,1,0,0,0,0|2,0,0]=3 5152 B10R0.75 CCCCNCC(=O)N(C)C 7a_106832991798_100000692301 [0,1,0,0,0,0|2,0,0]=3 5153 B10R0.75 CCCCNCC(O)C(C)C 2230a_100000759067_100000210211 [0,1,0,0,0,0|1,0,2]=4 5154 B10R0.75 CCCCNCC(O)C(C)C 34a_100000759067_100000210210 [0,1,0,0,0,0|1,0,2]=4 5155 B10R0.75 CCCCNN=C(C)C(C)C 4a_100025702795_100000211110 [0,1,0,0,0,0|3,0,0]=4 5156 B10R0.75 CCCCNN=C(C)C(C)O 4a_100025702795_100000212229 [0,1,0,0,0,0|3,0,0]=4 5157 B10R0.75 CCCCNNC(=O)C(C)C 22a_100025702795_100000210198 [0,1,0,0,0,0|2,0,0]=3 5158 B10R0.75 CCCCNNC(=O)C(C)F 22a_100025702795_100000062450 [0,1,0,0,0,0|2,0,0]=3 5159 B10R0.75 CCCCNNC(=O)C(F)F 22a_100025702795_100000210393 [0,1,0,0,0,0|3,0,0]=4 5160 B10R0.75 CCCCNNC(=O)C(O)O 22a_100025702795_100000233687 [0,1,0,0,0,0|3,0,0]=4 5161 B10R0.75 CCCCNNC(=O)[C@@H](C)O 22a_100025702795_100000717761 [0,1,0,0,0,0|2,0,0]=3 5162 B10R0.75 CCCCNNC(=O)[C@H](C)O 22a_100025702795_217856618621 [0,1,0,0,0,0|2,0,0]=3 5163 B10R0.75 CCCCOCC(=O)C(=O)C 34a_100000210227_100011261029 [0,1,0,0,0,0|1,0,1]=3 5164 B10R0.75 CCCCOCC(=O)C(C)C 1458a_100000210198_100011995733 [0,1,0,0,0,0|1,0,0]=2 5165 B10R0.75 CCCCOCC(=O)C(C)C 1458a_100000757543_100000210206 [0,1,0,0,0,0|1,0,0]=2 5166 B10R0.75 CCCCOCC(=O)C(C)C 34a_100000210227_100000753385 [0,1,0,0,0,0|1,0,0]=2 5167 B10R0.75 CCCCOCC(=O)C(C)C 7a_100000210227_100000753385 [0,1,0,0,0,0|1,0,0]=2 5168 B10R0.75 CCCCOCC(=O)C(C)F 1458a_100000062450_100011995733 [0,1,0,0,0,0|1,0,0]=2 5169 B10R0.75 CCCCOCC(=O)C(O)O 1458a_100000233687_100011995733 [0,1,0,0,0,0|2,0,0]=3 5170 B10R0.75 CCCCOCC(=O)N(C)C 11a_100102631434_100000757543 [0,1,0,0,0,0|2,0,0]=3 5171 B10R0.75 CCCCOCC(=O)N(C)C 1626a_100102631434_100000757543 [0,1,0,0,0,0|2,0,0]=3 5172 B10R0.75 CCCCOCC(=O)N(C)C 240690a_100102631434_100000757543 [0,1,0,0,0,0|2,0,0]=3 5173 B10R0.75 CCCCOCC(=O)N(C)C 34a_100000210227_100000692301 [0,1,0,0,0,0|2,0,0]=3 5174 B10R0.75 CCCCOCC(=O)N(C)C 527a_100102631434_100000757543 [0,1,0,0,0,0|2,0,0]=3 5175 B10R0.75 CCCCOCC(=O)N(C)C 7a_100000210227_100000692301 [0,1,0,0,0,0|2,0,0]=3 5176 B10R0.75 CCCCOCC(=O)[C@@H](C)O 1458a_100000717761_100011995733 [0,1,0,0,0,0|1,0,0]=2 5177 B10R0.75 CCCCOCC(=O)[C@H](C)O 1458a_217856618621_100011995733 [0,1,0,0,0,0|1,0,0]=2 5178 B10R0.75 CCCCOCN(C)C(C)C 269982a_200000211004_100011995733 [0,1,0,0,0,0|3,0,0]=4 5179 B10R0.75 CCCCOC[C@H](N)C(C)C 34a_100011830312_100000210210 [0,1,0,0,0,0|2,0,1]=4 5180 B10R0.75 CCCCSCC(=O)C(=O)C 62a_100000210211_100011261029 [0,1,0,0,0,0|1,0,1]=3 5181 B10R0.75 CCCCSCC(=O)C(=O)C 62a_100011261029_100000210210 [0,1,0,0,0,0|1,0,1]=3 5182 B10R0.75 CCCCSCC(=O)C(C)C 1458a_100000191162_100000210206 [0,1,0,0,0,0|1,0,0]=2 5183 B10R0.75 CCCCSCC(=O)C(C)C 62a_100000210211_100000753385 [0,1,0,0,0,0|1,0,0]=2 5184 B10R0.75 CCCCSCC(=O)C(C)C 62a_100000753385_100000210210 [0,1,0,0,0,0|1,0,0]=2 5185 B10R0.75 CCCCSCC(=O)N(C)C 11a_100102631434_100000191162 [0,1,0,0,0,0|2,0,0]=3 5186 B10R0.75 CCCCSCC(=O)N(C)C 1626a_100102631434_100000191162 [0,1,0,0,0,0|2,0,0]=3 5187 B10R0.75 CCCCSCC(=O)N(C)C 240690a_100102631434_100000191162 [0,1,0,0,0,0|2,0,0]=3 5188 B10R0.75 CCCCSCC(=O)N(C)C 527a_100102631434_100000191162 [0,1,0,0,0,0|2,0,0]=3 5189 B10R0.75 CCCCSCC(=O)N(C)C 62a_100000210211_100000692301 [0,1,0,0,0,0|2,0,0]=3 5190 B10R0.75 CCCCSCC(=O)N(C)C 62a_100000692301_100000210210 [0,1,0,0,0,0|2,0,0]=3 5191 B10R0.75 CCCNCCC(=O)N(C)C 2230a_100000738053_100000210303 [0,1,0,0,0,0|2,0,0]=3 5192 B10R0.75 CCCOCCC(=O)C(C)C 1458a_100000210198_100011215938 [0,1,0,0,0,0|1,0,0]=2 5193 B10R0.75 CCCOCCC(=O)C(C)F 1458a_100000062450_100011215938 [0,1,0,0,0,0|1,0,0]=2 5194 B10R0.75 CCCOCCC(=O)C(O)O 1458a_100000233687_100011215938 [0,1,0,0,0,0|2,0,0]=3 5195 B10R0.75 CCCOCCC(=O)N(C)C 34a_200000747469_100000210303 [0,1,0,0,0,0|2,0,0]=3 5196 B10R0.75 CCCOCCC(=O)[C@@H](C)O 1458a_100000717761_100011215938 [0,1,0,0,0,0|1,0,0]=2 5197 B10R0.75 CCCOCCC(=O)[C@H](C)O 1458a_217856618621_100011215938 [0,1,0,0,0,0|1,0,0]=2 5198 B10R0.75 CCCOCCC(N)C(C)C 34a_100161115045_100000210303 [0,1,0,0,0,0|2,0,1]=4 5199 B10R0.75 CCCOCCN(C)C(C)C 269982a_200000211004_100011215938 [0,1,0,0,0,0|3,0,0]=4 5200 B10R0.75 CCCSCCC(=O)N(C)C 62a_100000210303_100000737620 [0,1,0,0,0,0|2,0,0]=3 5201 B10R0.75 CCCSCCC(=O)N(C)C 62a_100000737620_100000210303 [0,1,0,0,0,0|2,0,0]=3 5202 B10R0.75 CCCSCOC(=O)C(C)C 62a_100000139345_100000210303 [0,1,0,0,0,0|2,0,0]=3 5203 B10R0.75 CCCSCOC(=O)C(C)C 62a_100000210303_100000139345 [0,1,0,0,0,0|2,0,0]=3 5204 B10R0.75 CCNCCCC(=O)N(C)C 2230a_100015525214_100000737642 [0,1,0,0,0,0|2,0,0]=3 5205 B10R0.75 CCNCCCC(=O)N(C)C 2230a_200000744827_100000210202 [0,1,0,0,0,0|2,0,0]=3 5206 B10R0.75 CCNCCNC(=O)C(C)C 2230a_100000752568_100000210202 [0,1,0,0,0,0|2,0,0]=3 5207 B10R0.75 CCNCCNC(=O)C(C)C 34a_100000752568_100000210202 [0,1,0,0,0,0|2,0,0]=3 5208 B10R0.75 CCOCCCC(=O)C(C)C 1458a_100000210198_100012232248 [0,1,0,0,0,0|1,0,0]=2 5209 B10R0.75 CCOCCCC(=O)C(C)F 1458a_100000062450_100012232248 [0,1,0,0,0,0|1,0,0]=2 5210 B10R0.75 CCOCCCC(=O)C(O)O 1458a_100000233687_100012232248 [0,1,0,0,0,0|2,0,0]=3 5211 B10R0.75 CCOCCCC(=O)[C@@H](C)O 1458a_100000717761_100012232248 [0,1,0,0,0,0|1,0,0]=2 5212 B10R0.75 CCOCCCC(=O)[C@H](C)O 1458a_217856618621_100012232248 [0,1,0,0,0,0|1,0,0]=2 5213 B10R0.75 CCOCCCN(C)C(C)C 269982a_200000211004_100012232248 [0,1,0,0,0,0|3,0,0]=4 5214 B10R0.75 CCOCCNC(=O)C(C)C 11a_100011200944_100000210198 [0,1,0,0,0,0|2,0,0]=3 5215 B10R0.75 CCOCCNC(=O)C(C)C 1626a_102516460346_100000210198 [0,1,0,0,0,0|2,0,0]=3 5216 B10R0.75 CCOCCNC(=O)C(C)C 240690a_100011200944_100000210198 [0,1,0,0,0,0|2,0,0]=3 5217 B10R0.75 CCOCCNC(=O)C(C)C 527a_100011200944_100000210198 [0,1,0,0,0,0|2,0,0]=3 5218 B10R0.75 CCOCCNC(=O)C(C)F 11a_100011200944_100000062450 [0,1,0,0,0,0|2,0,0]=3 5219 B10R0.75 CCOCCNC(=O)C(C)F 1626a_102516460346_100000062450 [0,1,0,0,0,0|2,0,0]=3 5220 B10R0.75 CCOCCNC(=O)C(C)F 240690a_100011200944_100000062450 [0,1,0,0,0,0|2,0,0]=3 5221 B10R0.75 CCOCCNC(=O)C(C)F 527a_100011200944_100000062450 [0,1,0,0,0,0|2,0,0]=3 5222 B10R0.75 CCOCCNC(=O)C(F)F 11a_100011200944_100000210393 [0,1,0,0,0,0|3,0,0]=4 5223 B10R0.75 CCOCCNC(=O)C(F)F 1626a_102516460346_100000210393 [0,1,0,0,0,0|3,0,0]=4 5224 B10R0.75 CCOCCNC(=O)C(F)F 240690a_100011200944_100000210393 [0,1,0,0,0,0|3,0,0]=4 5225 B10R0.75 CCOCCNC(=O)C(F)F 527a_100011200944_100000210393 [0,1,0,0,0,0|3,0,0]=4 5226 B10R0.75 CCOCCNC(=O)C(O)O 240690a_100011200944_100000233687 [0,1,0,0,0,0|3,0,0]=4 5227 B10R0.75 CCOCCNC(=O)N(C)C 2708a_100011200944_100102631434 [0,1,0,0,0,0|3,0,0]=4 5228 B10R0.75 CCOCCNC(=O)[C@@H](C)O 240690a_100011200944_100000717761 [0,1,0,0,0,0|2,0,0]=3 5229 B10R0.75 CCOCCNC(=O)[C@H](C)O 1626a_102516460346_217856618621 [0,1,0,0,0,0|2,0,0]=3 5230 B10R0.75 CCOCCNC(=O)[C@H](C)O 240690a_100011200944_217856618621 [0,1,0,0,0,0|2,0,0]=3 5231 B10R0.75 CCOCSCC(=O)C(=O)C 62a_100000739092_100011261029 [0,1,0,0,0,0|2,0,1]=4 5232 B10R0.75 CCOCSCC(=O)C(=O)C 62a_100011261029_100000739092 [0,1,0,0,0,0|2,0,1]=4 5233 B10R0.75 CCOCSCC(=O)C(C)C 62a_100000739092_100000753385 [0,1,0,0,0,0|2,0,0]=3 5234 B10R0.75 CCOCSCC(=O)C(C)C 62a_100000753385_100000739092 [0,1,0,0,0,0|2,0,0]=3 5235 B10R0.75 CCOCSCC(=O)N(C)C 62a_100000692301_100000739092 [0,1,0,0,0,0|3,0,0]=4 5236 B10R0.75 CCOCSCC(=O)N(C)C 62a_100000739092_100000692301 [0,1,0,0,0,0|3,0,0]=4 5237 B10R0.75 CCSCCCC(=O)N(C)C 62a_100000210202_100000737642 [0,1,0,0,0,0|2,0,0]=3 5238 B10R0.75 CCSCCCC(=O)N(C)C 62a_100000737642_100000210202 [0,1,0,0,0,0|2,0,0]=3 5239 B10R0.75 CCSCCNC(=O)C(C)C 11a_100000106463_100000210198 [0,1,0,0,0,0|2,0,0]=3 5240 B10R0.75 CCSCCNC(=O)C(C)C 1626a_100000106463_100000210198 [0,1,0,0,0,0|2,0,0]=3 5241 B10R0.75 CCSCCNC(=O)C(C)C 240690a_100000106463_100000210198 [0,1,0,0,0,0|2,0,0]=3 5242 B10R0.75 CCSCCNC(=O)C(C)C 527a_100000106463_100000210198 [0,1,0,0,0,0|2,0,0]=3 5243 B10R0.75 CCSCCNC(=O)C(C)F 11a_100000106463_100000062450 [0,1,0,0,0,0|2,0,0]=3 5244 B10R0.75 CCSCCNC(=O)C(C)F 1626a_100000106463_100000062450 [0,1,0,0,0,0|2,0,0]=3 5245 B10R0.75 CCSCCNC(=O)C(C)F 240690a_100000106463_100000062450 [0,1,0,0,0,0|2,0,0]=3 5246 B10R0.75 CCSCCNC(=O)C(C)F 527a_100000106463_100000062450 [0,1,0,0,0,0|2,0,0]=3 5247 B10R0.75 CCSCCNC(=O)C(F)F 11a_100000106463_100000210393 [0,1,0,0,0,0|3,0,0]=4 5248 B10R0.75 CCSCCNC(=O)C(F)F 1626a_100000106463_100000210393 [0,1,0,0,0,0|3,0,0]=4 5249 B10R0.75 CCSCCNC(=O)C(F)F 240690a_100000106463_100000210393 [0,1,0,0,0,0|3,0,0]=4 5250 B10R0.75 CCSCCNC(=O)C(F)F 527a_100000106463_100000210393 [0,1,0,0,0,0|3,0,0]=4 5251 B10R0.75 CCSCCNC(=O)C(O)O 240690a_100000106463_100000233687 [0,1,0,0,0,0|3,0,0]=4 5252 B10R0.75 CCSCCNC(=O)N(C)C 2708a_100000106463_100102631434 [0,1,0,0,0,0|3,0,0]=4 5253 B10R0.75 CCSCCNC(=O)[C@@H](C)O 240690a_100000106463_100000717761 [0,1,0,0,0,0|2,0,0]=3 5254 B10R0.75 CCSCCNC(=O)[C@H](C)O 1626a_100000106463_217856618621 [0,1,0,0,0,0|2,0,0]=3 5255 B10R0.75 CCSCCNC(=O)[C@H](C)O 240690a_100000106463_217856618621 [0,1,0,0,0,0|2,0,0]=3 5256 B10R0.75 CN(C)C(=O)CCCCCO 240690a_100102631434_100102619762 [0,1,0,0,0,0|2,0,0]=3 5257 B10R0.75 CN(C)C(=O)CCCCS[13CH3] 62a_100000752486_200025704644 [0,1,0,0,0,0|2,0,0]=3 5258 B10R0.75 CN(C)C(=O)CCCCS[13CH3] 62a_200025704644_100000752486 [0,1,0,0,0,0|2,0,0]=3 5259 B10R0.75 CN(C)C(=O)CCCSCF 62a_100000737642_100015361967 [0,1,0,0,0,0|3,0,0]=4 5260 B10R0.75 CN(C)C(=O)CCCSCF 62a_100015361967_100000737642 [0,1,0,0,0,0|3,0,0]=4 5261 B10R0.75 CN(C)C(=O)CCNCCF 2230a_100000738053_100011217306 [0,1,0,0,0,0|3,0,0]=4 5262 B10R0.75 CN(C)C(=O)CCNCCO 2230a_100000738053_100000211926 [0,1,0,0,0,0|3,0,0]=4 5263 B10R0.75 CN(C)C(=O)CCNCCO 2230a_100016997473_100000737620 [0,1,0,0,0,0|3,0,0]=4 5264 B10R0.75 CN(C)C(=O)CCOCCF 34a_200000747469_100011217306 [0,1,0,0,0,0|3,0,0]=4 5265 B10R0.75 CN(C)C(=O)CCOCCO 1626a_100102631434_100011229844 [0,1,0,0,0,0|3,0,0]=4 5266 B10R0.75 CN(C)C(=O)CCOCCO 240690a_100102631434_100011229844 [0,1,0,0,0,0|3,0,0]=4 5267 B10R0.75 CN(C)C(=O)CCOCCO 34a_200000747469_100000211926 [0,1,0,0,0,0|3,0,0]=4 5268 B10R0.75 CN(C)C(=O)CCSCCF 62a_100000737620_100011217306 [0,1,0,0,0,0|3,0,0]=4 5269 B10R0.75 CN(C)C(=O)CCSCCF 62a_100011217306_100000737620 [0,1,0,0,0,0|3,0,0]=4 5270 B10R0.75 CN(C)C(=O)CCSCCO 62a_100000211926_100000737620 [0,1,0,0,0,0|3,0,0]=4 5271 B10R0.75 CN(C)C(=O)CCSCCO 62a_100000737620_100000211926 [0,1,0,0,0,0|3,0,0]=4 5272 B10R0.75 CN(C)C(=O)CNCCCF 2230a_100015183351_100011934791 [0,1,0,0,0,0|3,0,0]=4 5273 B10R0.75 CN(C)C(=O)CNCCCF 2230a_100015189416_100000185267 [0,1,0,0,0,0|3,0,0]=4 5274 B10R0.75 CN(C)C(=O)CNCCCF 34a_100015189416_100000692301 [0,1,0,0,0,0|3,0,0]=4 5275 B10R0.75 CN(C)C(=O)CNCCCO 2230a_100015183351_100000230001 [0,1,0,0,0,0|3,0,0]=4 5276 B10R0.75 CN(C)C(=O)COCCCBr 34a_100011217188_100000692301 [0,1,0,0,0,0|3,0,0]=4 5277 B10R0.75 CN(C)C(=O)COCCCCl 34a_100000230001_100000692301 [0,1,0,0,0,0|3,0,0]=4 5278 B10R0.75 CN(C)C(=O)COCCCF 34a_100000759539_100000692301 [0,1,0,0,0,0|3,0,0]=4 5279 B10R0.75 CN(C)C(=O)COCCCN 34a_100000182051_100000692301 [0,1,0,0,0,0|3,0,0]=4 5280 B10R0.75 CN(C)C(=O)CSCCCF 62a_100000692301_100011934791 [0,1,0,0,0,0|3,0,0]=4 5281 B10R0.75 CN(C)C(=O)CSCCCF 62a_100011934791_100000692301 [0,1,0,0,0,0|3,0,0]=4 5282 B10R0.75 CN(C)C(=O)CSCCCO 62a_100000692301_100011215043 [0,1,0,0,0,0|3,0,0]=4 5283 B10R0.75 CN(C)C(=O)CSCCCO 62a_100011215043_100000692301 [0,1,0,0,0,0|3,0,0]=4 5284 B10R0.75 CN(C)C(=O)NCCCCO 2708a_100000750430_100102631434 [0,1,0,0,0,0|3,0,0]=4 5285 B10R0.75 CNCCCCC(=O)N(C)C 34a_100102657272_100000752486 [0,1,0,0,0,0|2,0,0]=3 5286 B10R0.75 CNCCCCC(=O)N(C)C 7a_106832991635_100000752486 [0,1,0,0,0,0|2,0,0]=3 5287 B10R0.75 COCCCCC(=O)C(C)C 1458a_100000210198_100000755781 [0,1,0,0,0,0|1,0,0]=2 5288 B10R0.75 COCCCCC(=O)C(C)F 1458a_100000062450_100000755781 [0,1,0,0,0,0|1,0,0]=2 5289 B10R0.75 COCCCCC(=O)C(O)O 1458a_100000233687_100000755781 [0,1,0,0,0,0|2,0,0]=3 5290 B10R0.75 COCCCCC(=O)N(C)C 34a_100138415774_100000752486 [0,1,0,0,0,0|2,0,0]=3 5291 B10R0.75 COCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000755781 [0,1,0,0,0,0|1,0,0]=2 5292 B10R0.75 COCCCCC(=O)[C@H](C)O 1458a_217856618621_100000755781 [0,1,0,0,0,0|1,0,0]=2 5293 B10R0.75 COCCCCN(C)C(C)C 269982a_200000211004_100000730899 [0,1,0,0,0,0|3,0,0]=4 5294 B10R0.75 COCCCNC(=O)C(C)C 1626a_100150723488_100000210198 [0,1,0,0,0,0|2,0,0]=3 5295 B10R0.75 COCCCNC(=O)C(C)C 240690a_100150723488_100000210198 [0,1,0,0,0,0|2,0,0]=3 5296 B10R0.75 COCCCNC(=O)C(C)C 527a_100150723488_100000210198 [0,1,0,0,0,0|2,0,0]=3 5297 B10R0.75 COCCCNC(=O)C(C)F 1626a_100150723488_100000062450 [0,1,0,0,0,0|2,0,0]=3 5298 B10R0.75 COCCCNC(=O)C(C)F 240690a_100150723488_100000062450 [0,1,0,0,0,0|2,0,0]=3 5299 B10R0.75 COCCCNC(=O)C(C)F 527a_100150723488_100000062450 [0,1,0,0,0,0|2,0,0]=3 5300 B10R0.75 COCCCNC(=O)C(F)F 1626a_100150723488_100000210393 [0,1,0,0,0,0|3,0,0]=4 5301 B10R0.75 COCCCNC(=O)C(F)F 240690a_100150723488_100000210393 [0,1,0,0,0,0|3,0,0]=4 5302 B10R0.75 COCCCNC(=O)C(F)F 527a_100150723488_100000210393 [0,1,0,0,0,0|3,0,0]=4 5303 B10R0.75 COCCCNC(=O)C(O)O 240690a_100150723488_100000233687 [0,1,0,0,0,0|3,0,0]=4 5304 B10R0.75 COCCCNC(=O)N(C)C 2708a_100150723488_100102631434 [0,1,0,0,0,0|3,0,0]=4 5305 B10R0.75 COCCCNC(=O)[C@@H](C)O 240690a_100150723488_100000717761 [0,1,0,0,0,0|2,0,0]=3 5306 B10R0.75 COCCCNC(=O)[C@H](C)O 1626a_100150723488_217856618621 [0,1,0,0,0,0|2,0,0]=3 5307 B10R0.75 COCCCNC(=O)[C@H](C)O 240690a_100150723488_217856618621 [0,1,0,0,0,0|2,0,0]=3 5308 B10R0.75 COCCNCC(=O)C(C)C 2230a_100000209980_100000753385 [0,1,0,0,0,0|2,0,0]=3 5309 B10R0.75 COCCNCC(=O)N(C)C 2230a_100000209980_100000185267 [0,1,0,0,0,0|3,0,0]=4 5310 B10R0.75 COCCNCC(=O)N(C)C 2230a_100015183351_100011201679 [0,1,0,0,0,0|3,0,0]=4 5311 B10R0.75 COCCNNC(=O)C(C)C 22a_100000741390_100000210198 [0,1,0,0,0,0|3,0,0]=4 5312 B10R0.75 COCCNNC(=O)C(C)F 22a_100000741390_100000062450 [0,1,0,0,0,0|3,0,0]=4 5313 B10R0.75 COCCNNC(=O)[C@@H](C)O 22a_100000741390_100000717761 [0,1,0,0,0,0|3,0,0]=4 5314 B10R0.75 COCCNNC(=O)[C@H](C)O 22a_100000741390_217856618621 [0,1,0,0,0,0|3,0,0]=4 5315 B10R0.75 COCCOCC(=O)C(=O)C 34a_100000210237_100011261029 [0,1,0,0,0,0|2,0,1]=4 5316 B10R0.75 COCCOCC(=O)C(C)C 1458a_100000211095_100000210206 [0,1,0,0,0,0|2,0,0]=3 5317 B10R0.75 COCCOCC(=O)C(C)C 34a_100000210237_100000753385 [0,1,0,0,0,0|2,0,0]=3 5318 B10R0.75 COCCOCC(=O)N(C)C 11a_100102631434_100000211095 [0,1,0,0,0,0|3,0,0]=4 5319 B10R0.75 COCCOCC(=O)N(C)C 1626a_100102631434_100000211095 [0,1,0,0,0,0|3,0,0]=4 5320 B10R0.75 COCCOCC(=O)N(C)C 240690a_100102631434_100000211095 [0,1,0,0,0,0|3,0,0]=4 5321 B10R0.75 COCCOCC(=O)N(C)C 34a_100000210237_100000692301 [0,1,0,0,0,0|3,0,0]=4 5322 B10R0.75 COCCOCC(=O)N(C)C 527a_100102631434_100000211095 [0,1,0,0,0,0|3,0,0]=4 5323 B10R0.75 COCCSCC(=O)C(=O)C 62a_100000233755_100011261029 [0,1,0,0,0,0|2,0,1]=4 5324 B10R0.75 COCCSCC(=O)C(=O)C 62a_100011261029_100000233755 [0,1,0,0,0,0|2,0,1]=4 5325 B10R0.75 COCCSCC(=O)C(C)C 62a_100000233755_100000753385 [0,1,0,0,0,0|2,0,0]=3 5326 B10R0.75 COCCSCC(=O)C(C)C 62a_100000753385_100000233755 [0,1,0,0,0,0|2,0,0]=3 5327 B10R0.75 COCCSCC(=O)N(C)C 62a_100000233755_100000692301 [0,1,0,0,0,0|3,0,0]=4 5328 B10R0.75 COCCSCC(=O)N(C)C 62a_100000692301_100000233755 [0,1,0,0,0,0|3,0,0]=4 5329 B10R0.75 COCNCCC(=O)N(C)C 2230a_100000738053_100000766300 [0,1,0,0,0,0|3,0,0]=4 5330 B10R0.75 COCSCCC(=O)N(C)C 62a_100000737620_100000766300 [0,1,0,0,0,0|3,0,0]=4 5331 B10R0.75 COCSCCC(=O)N(C)C 62a_100000766300_100000737620 [0,1,0,0,0,0|3,0,0]=4 5332 B10R0.75 COCSCOC(=O)C(C)C 62a_100000139345_100000766300 [0,1,0,0,0,0|3,0,0]=4 5333 B10R0.75 COCSCOC(=O)C(C)C 62a_100000766300_100000139345 [0,1,0,0,0,0|3,0,0]=4 5334 B10R0.75 CSCCCCC(=O)N(C)C 62a_100000752486_200000210301 [0,1,0,0,0,0|2,0,0]=3 5335 B10R0.75 CSCCCCC(=O)N(C)C 62a_200000210301_100000752486 [0,1,0,0,0,0|2,0,0]=3 5336 B10R0.75 CSCCCNC(=O)C(C)C 11a_100000749238_100000210198 [0,1,0,0,0,0|2,0,0]=3 5337 B10R0.75 CSCCCNC(=O)C(C)C 1626a_100000749238_100000210198 [0,1,0,0,0,0|2,0,0]=3 5338 B10R0.75 CSCCCNC(=O)C(C)C 240690a_100000749238_100000210198 [0,1,0,0,0,0|2,0,0]=3 5339 B10R0.75 CSCCCNC(=O)C(C)C 527a_100000749238_100000210198 [0,1,0,0,0,0|2,0,0]=3 5340 B10R0.75 CSCCCNC(=O)C(C)F 11a_100000749238_100000062450 [0,1,0,0,0,0|2,0,0]=3 5341 B10R0.75 CSCCCNC(=O)C(C)F 1626a_100000749238_100000062450 [0,1,0,0,0,0|2,0,0]=3 5342 B10R0.75 CSCCCNC(=O)C(C)F 240690a_100000749238_100000062450 [0,1,0,0,0,0|2,0,0]=3 5343 B10R0.75 CSCCCNC(=O)C(C)F 527a_100000749238_100000062450 [0,1,0,0,0,0|2,0,0]=3 5344 B10R0.75 CSCCCNC(=O)C(F)F 11a_100000749238_100000210393 [0,1,0,0,0,0|3,0,0]=4 5345 B10R0.75 CSCCCNC(=O)C(F)F 1626a_100000749238_100000210393 [0,1,0,0,0,0|3,0,0]=4 5346 B10R0.75 CSCCCNC(=O)C(F)F 240690a_100000749238_100000210393 [0,1,0,0,0,0|3,0,0]=4 5347 B10R0.75 CSCCCNC(=O)C(F)F 527a_100000749238_100000210393 [0,1,0,0,0,0|3,0,0]=4 5348 B10R0.75 CSCCCNC(=O)C(O)O 240690a_100000749238_100000233687 [0,1,0,0,0,0|3,0,0]=4 5349 B10R0.75 CSCCCNC(=O)N(C)C 2708a_100000749238_100102631434 [0,1,0,0,0,0|3,0,0]=4 5350 B10R0.75 CSCCCNC(=O)[C@@H](C)O 240690a_100000749238_100000717761 [0,1,0,0,0,0|2,0,0]=3 5351 B10R0.75 CSCCCNC(=O)[C@H](C)O 1626a_100000749238_217856618621 [0,1,0,0,0,0|2,0,0]=3 5352 B10R0.75 CSCCCNC(=O)[C@H](C)O 240690a_100000749238_217856618621 [0,1,0,0,0,0|2,0,0]=3 5353 B10R0.75 CSCCNCC(=O)C(C)C 2230a_100020590264_100000753385 [0,1,0,0,0,0|2,0,0]=3 5354 B10R0.75 CSCCNCC(=O)N(C)C 2230a_100015183351_100000751147 [0,1,0,0,0,0|3,0,0]=4 5355 B10R0.75 CSCCNCC(=O)N(C)C 2230a_100020590264_100000185267 [0,1,0,0,0,0|3,0,0]=4 5356 B10R0.75 CSCCOCC(=O)C(=O)C 34a_100000230434_100011261029 [0,1,0,0,0,0|2,0,1]=4 5357 B10R0.75 CSCCOCC(=O)C(C)C 34a_100000230434_100000753385 [0,1,0,0,0,0|2,0,0]=3 5358 B10R0.75 CSCCOCC(=O)C(C)C 7a_100000230434_100000753385 [0,1,0,0,0,0|2,0,0]=3 5359 B10R0.75 CSCCOCC(=O)N(C)C 34a_100000230434_100000692301 [0,1,0,0,0,0|3,0,0]=4 5360 B10R0.75 CSCCOCC(=O)N(C)C 7a_100000230434_100000692301 [0,1,0,0,0,0|3,0,0]=4 5361 B10R0.75 CSCCSCC(=O)C(=O)C 62a_100000212216_100011261029 [0,1,0,0,0,0|2,0,1]=4 5362 B10R0.75 CSCCSCC(=O)C(=O)C 62a_100011261029_100000751147 [0,1,0,0,0,0|2,0,1]=4 5363 B10R0.75 CSCCSCC(=O)C(C)C 62a_100000212216_100000753385 [0,1,0,0,0,0|2,0,0]=3 5364 B10R0.75 CSCCSCC(=O)C(C)C 62a_100000753385_100000751147 [0,1,0,0,0,0|2,0,0]=3 5365 B10R0.75 CSCCSCC(=O)N(C)C 62a_100000212216_100000692301 [0,1,0,0,0,0|3,0,0]=4 5366 B10R0.75 CSCCSCC(=O)N(C)C 62a_100000692301_100000751147 [0,1,0,0,0,0|3,0,0]=4 5367 B10R0.75 CSCNCCC(=O)N(C)C 2230a_100000738053_100011218213 [0,1,0,0,0,0|3,0,0]=4 5368 B10R0.75 CSCOCCC(=O)N(C)C 34a_200000747469_100011218213 [0,1,0,0,0,0|3,0,0]=4 5369 B10R0.75 CSCSCCC(=O)N(C)C 62a_100000737620_100011218213 [0,1,0,0,0,0|3,0,0]=4 5370 B10R0.75 CSCSCCC(=O)N(C)C 62a_100011218213_100000737620 [0,1,0,0,0,0|3,0,0]=4 5371 B10R0.75 CSCSCOC(=O)C(C)C 62a_100000139345_100011218213 [0,1,0,0,0,0|3,0,0]=4 5372 B10R0.75 CSCSCOC(=O)C(C)C 62a_100011218213_100000139345 [0,1,0,0,0,0|3,0,0]=4 5373 B10R0.75 C[C@@H](O)C(=O)CCCCC#N 1458a_100000717761_100000211819 [0,1,0,0,0,0|1,0,1]=3 5374 B10R0.75 C[C@@H](O)C(=O)CCCCCF 1458a_100000717761_100000729378 [0,1,0,0,0,0|1,0,0]=2 5375 B10R0.75 C[C@@H](O)C(=O)CCCCCO 1458a_100000717761_100000746330 [0,1,0,0,0,0|1,0,0]=2 5376 B10R0.75 C[C@@H](O)C(=O)CCOCC#N 1458a_100000717761_200000047693 [0,1,0,0,0,0|2,0,1]=4 5377 B10R0.75 C[C@@H](O)C(=O)CCOCCO 1458a_100000717761_100011215305 [0,1,0,0,0,0|2,0,0]=3 5378 B10R0.75 C[C@@H](O)C(=O)NCCCCO 240690a_100000750430_100000717761 [0,1,0,0,0,0|2,0,0]=3 5379 B10R0.75 C[C@H](O)C(=O)CCCCC#N 1458a_217856618621_100000211819 [0,1,0,0,0,0|1,0,1]=3 5380 B10R0.75 C[C@H](O)C(=O)CCCCCF 1458a_217856618621_100000729378 [0,1,0,0,0,0|1,0,0]=2 5381 B10R0.75 C[C@H](O)C(=O)CCCCCO 1458a_217856618621_100000746330 [0,1,0,0,0,0|1,0,0]=2 5382 B10R0.75 C[C@H](O)C(=O)CCOCC#N 1458a_217856618621_200000047693 [0,1,0,0,0,0|2,0,1]=4 5383 B10R0.75 C[C@H](O)C(=O)CCOCCO 1458a_217856618621_100011215305 [0,1,0,0,0,0|2,0,0]=3 5384 B10R0.75 C[C@H](O)C(=O)NCCCCO 240690a_100000750430_217856618621 [0,1,0,0,0,0|2,0,0]=3 5385 B10R0.75 N#CCCCCC(=O)C(O)O 1458a_100000233687_100000211819 [0,1,0,0,0,0|2,0,1]=4 5386 B10R0.75 O=C(CCCCCF)C(O)O 1458a_100000233687_100000729378 [0,1,0,0,0,0|2,0,0]=3 5387 B10R0.75 O=C(CCCCCO)C(O)O 1458a_100000233687_100000746330 [0,1,0,0,0,0|2,0,0]=3 5388 B10R0.75 O=C(CCOCCO)C(O)O 1458a_100000233687_100011215305 [0,1,0,0,0,0|3,0,0]=4 5389 B10R0.75 O=C(NCCCCO)C(F)F 240690a_100000750430_100000210393 [0,1,0,0,0,0|3,0,0]=4 5390 B10R0.75 O=C(NCCCCO)C(F)F 527a_100000750430_100000210393 [0,1,0,0,0,0|3,0,0]=4 5391 B10R0.75 O=C(NCCCCO)C(O)O 240690a_100000750430_100000233687 [0,1,0,0,0,0|3,0,0]=4 5392 B10R0.83 C#CC(=O)C(C)CCCCC 1458a_100000211873_200011218191 [0,1,0,0,0,0|0,0,2]=3 5393 B10R0.83 C#CCCSC(C)C(=O)CC 62a_100000688953_100000742827 [0,1,0,0,0,0|1,0,2]=4 5394 B10R0.83 C#CCCSC(C)C(=O)CC 62a_100000742827_100000688953 [0,1,0,0,0,0|1,0,2]=4 5395 B10R0.83 C/C=C(\C)/C(=O)CCCCC 1458a_100020587367_100000210326 [0,1,0,0,0,0|1,0,2]=4 5396 B10R0.83 C/C=C(\C)/C(C)NCCCC 269862a_100000102301_100020675665 [0,1,0,0,0,0|2,0,1]=4 5397 B10R0.83 C/C=C/CSC(C)C(=O)CC 62a_100000742827_100102629194 [0,1,0,0,0,0|1,0,2]=4 5398 B10R0.83 C/C=C/CSC(C)C(=O)CC 62a_100102629194_100000742827 [0,1,0,0,0,0|1,0,2]=4 5399 B10R0.83 C=C(COCCC)C(=O)OC 34a_100000210258_100009813391 [0,1,0,0,0,0|2,0,1]=4 5400 B10R0.83 C=C(CSCCC)C(=O)OC 62a_100000210303_100009813391 [0,1,0,0,0,0|2,0,1]=4 5401 B10R0.83 C=C(CSCCC)C(=O)OC 62a_100009813391_100000210303 [0,1,0,0,0,0|2,0,1]=4 5402 B10R0.83 C=CC(=O)C(C)CCCCC 1458a_100000185746_200011218191 [0,1,0,0,0,0|0,0,2]=3 5403 B10R0.83 C=CC(=O)N(C)CCCCC 1626a_100000223495_100000185746 [0,1,0,0,0,0|1,0,2]=4 5404 B10R0.83 C=CC(=O)N(C)CCCCC 240690a_100000223495_200121576911 [0,1,0,0,0,0|1,0,2]=4 5405 B10R0.83 C=CCCNC(C)C(=O)CC 2230a_100015191253_100000742827 [0,1,0,0,0,0|1,0,2]=4 5406 B10R0.83 C=CCCSC(C)C(=O)CC 62a_100000742827_100000754431 [0,1,0,0,0,0|1,0,2]=4 5407 B10R0.83 C=CCCSC(C)C(=O)CC 62a_100000754431_100000742827 [0,1,0,0,0,0|1,0,2]=4 5408 B10R0.83 CC#CCNC(C)C(=O)CC 2230a_100000685387_100000742827 [0,1,0,0,0,0|1,0,2]=4 5409 B10R0.83 CC#CCSC(C)C(=O)CC 62a_100000742827_100000748600 [0,1,0,0,0,0|1,0,2]=4 5410 B10R0.83 CC#CCSC(C)C(=O)CC 62a_100000748600_100000742827 [0,1,0,0,0,0|1,0,2]=4 5411 B10R0.83 CC=CCSC(C)C(=O)CC 62a_100000070051_100000742827 [0,1,0,0,0,0|1,0,2]=4 5412 B10R0.83 CC=CCSC(C)C(=O)CC 62a_100000742827_100000070051 [0,1,0,0,0,0|1,0,2]=4 5413 B10R0.83 CCC(=O)C(C)NCCCF 2230a_100015189416_100000742827 [0,1,0,0,0,0|2,0,0]=3 5414 B10R0.83 CCC(=O)C(C)NCCOC 2230a_100000209980_100000742827 [0,1,0,0,0,0|2,0,0]=3 5415 B10R0.83 CCC(=O)C(C)NCCSC 2230a_100020590264_100000742827 [0,1,0,0,0,0|2,0,0]=3 5416 B10R0.83 CCC(=O)C(C)OCCSC 7a_100000230434_100000742827 [0,1,0,0,0,0|2,0,0]=3 5417 B10R0.83 CCC(=O)C(C)SCCC#N 62a_100000742827_100011215226 [0,1,0,0,0,0|2,0,1]=4 5418 B10R0.83 CCC(=O)C(C)SCCC#N 62a_100011215226_100000742827 [0,1,0,0,0,0|2,0,1]=4 5419 B10R0.83 CCC(=O)C(C)SCCCF 62a_100000742827_100011934791 [0,1,0,0,0,0|2,0,0]=3 5420 B10R0.83 CCC(=O)C(C)SCCCF 62a_100011934791_100000742827 [0,1,0,0,0,0|2,0,0]=3 5421 B10R0.83 CCC(=O)C(C)SCCCO 62a_100000742827_100011215043 [0,1,0,0,0,0|2,0,0]=3 5422 B10R0.83 CCC(=O)C(C)SCCCO 62a_100011215043_100000742827 [0,1,0,0,0,0|2,0,0]=3 5423 B10R0.83 CCC(=O)C(C)SCCOC 62a_100000233755_100000742827 [0,1,0,0,0,0|2,0,0]=3 5424 B10R0.83 CCC(=O)C(C)SCCOC 62a_100000742827_100000233755 [0,1,0,0,0,0|2,0,0]=3 5425 B10R0.83 CCC(=O)C(C)SCCSC 62a_100000212216_100000742827 [0,1,0,0,0,0|2,0,0]=3 5426 B10R0.83 CCC(=O)C(C)SCCSC 62a_100000742827_100000751147 [0,1,0,0,0,0|2,0,0]=3 5427 B10R0.83 CCC(=O)N(C)CCCCO 240690a_100000717598_100000210414 [0,1,0,0,0,0|2,0,0]=3 5428 B10R0.83 CCC(=O)N(C)CCCOC 11a_100000224831_100000210414 [0,1,0,0,0,0|2,0,0]=3 5429 B10R0.83 CCC(=O)N(C)CCCOC 1626a_100000224831_100000210414 [0,1,0,0,0,0|2,0,0]=3 5430 B10R0.83 CCC(=O)N(C)CCCOC 240690a_100000224831_100000210414 [0,1,0,0,0,0|2,0,0]=3 5431 B10R0.83 CCC(=O)N(C)CCCOC 527a_100000224831_100000210414 [0,1,0,0,0,0|2,0,0]=3 5432 B10R0.83 CCCCCC(=O)C(=O)NC 1458a_100011218921_100000210326 [0,1,0,0,0,0|1,0,1]=3 5433 B10R0.83 CCCCCC(=O)C(C)CC 1458a_100000212188_100000758301 [0,1,0,0,0,0|1,0,2]=4 5434 B10R0.83 CCCCCC(=O)C(C)CC 1458a_100011192722_100000210326 [0,1,0,0,0,0|1,0,2]=4 5435 B10R0.83 CCCCCC(=O)C(O)CC 1458a_100011196387_100000210326 [0,1,0,0,0,0|0,0,3]=4 5436 B10R0.83 CCCCCC(=O)N(C)CC 11a_100000225621_100000212188 [0,1,0,0,0,0|2,0,1]=4 5437 B10R0.83 CCCCCC(=O)N(C)CC 1626a_100000225621_100000212188 [0,1,0,0,0,0|2,0,1]=4 5438 B10R0.83 CCCCCC(=O)N(C)CC 240690a_100000225621_100000212188 [0,1,0,0,0,0|2,0,1]=4 5439 B10R0.83 CCCCCC(=O)N(C)CC 527a_100000225621_100000212188 [0,1,0,0,0,0|2,0,1]=4 5440 B10R0.83 CCCCCC(C)C(=O)CC 1458a_100000210414_200011218191 [0,1,0,0,0,0|0,0,0]=1 5441 B10R0.83 CCCCCC(C)C(=O)CC 1458a_100011215998_100000210202 [0,1,0,0,0,0|0,0,0]=1 5442 B10R0.83 CCCCCC(C)C(=O)CF 1458a_100011215998_100015361967 [0,1,0,0,0,0|1,0,0]=2 5443 B10R0.83 CCCCCC(C)C(=O)CO 1458a_100000210174_200011218191 [0,1,0,0,0,0|1,0,0]=2 5444 B10R0.83 CCCCCC(C)C(=O)NC 11a_106832991635_100011215998 [0,1,0,0,0,0|1,0,0]=2 5445 B10R0.83 CCCCCC(C)C(=O)NC 1626a_100102657272_100011215998 [0,1,0,0,0,0|1,0,0]=2 5446 B10R0.83 CCCCCC(C)C(=O)NC 240690a_100102657272_100011215998 [0,1,0,0,0,0|1,0,0]=2 5447 B10R0.83 CCCCCC(C)C(=O)NC 527a_100102657272_100011215998 [0,1,0,0,0,0|1,0,0]=2 5448 B10R0.83 CCCCCC(C)N(C)CC 2230a_100000225621_200011218191 [0,1,0,0,0,0|2,0,0]=3 5449 B10R0.83 CCCCCC(C)N(C)CC 269982a_100000225621_200011218191 [0,1,0,0,0,0|2,0,0]=3 5450 B10R0.83 CCCCCN(C)C(=O)CC 11a_100000223495_100000210414 [0,1,0,0,0,0|1,0,0]=2 5451 B10R0.83 CCCCCN(C)C(=O)CC 1626a_100000223495_100000210414 [0,1,0,0,0,0|1,0,0]=2 5452 B10R0.83 CCCCCN(C)C(=O)CC 240690a_100000223495_100000210414 [0,1,0,0,0,0|1,0,0]=2 5453 B10R0.83 CCCCCN(C)C(=O)CC 527a_100000223495_100000210414 [0,1,0,0,0,0|1,0,0]=2 5454 B10R0.83 CCCCCN(C)C(=O)CO 240690a_100000223495_100000210174 [0,1,0,0,0,0|2,0,0]=3 5455 B10R0.83 CCCCCN(C)C(=O)CO 527a_100000223495_100000210174 [0,1,0,0,0,0|2,0,0]=3 5456 B10R0.83 CCCCCN(C)C(=O)NC 2708a_100102657272_100000223495 [0,1,0,0,0,0|2,0,0]=3 5457 B10R0.83 CCCCCN(C)C(=O)NC 273464a_100102657272_100000223495 [0,1,0,0,0,0|2,0,0]=3 5458 B10R0.83 CCCCCN(C)C(C)CC 2230a_100000223495_100000758301 [0,1,0,0,0,0|2,0,1]=4 5459 B10R0.83 CCCCCN(C)C(C)CC 2230a_100000741768_100000210326 [0,1,0,0,0,0|2,0,1]=4 5460 B10R0.83 CCCCCN(C)C(C)CC 269982a_100000223495_100000758301 [0,1,0,0,0,0|2,0,1]=4 5461 B10R0.83 CCCCCN(C)C(C)CC 269982a_100000741768_100000210215 [0,1,0,0,0,0|2,0,1]=4 5462 B10R0.83 CCCCNC(=O)C(=O)NC 1626a_100000102301_100011218921 [0,1,0,0,0,0|2,0,1]=4 5463 B10R0.83 CCCCNC(=O)C(=O)NC 240690a_100000102301_100011218921 [0,1,0,0,0,0|2,0,1]=4 5464 B10R0.83 CCCCNC(=O)C(=O)NC 527a_100000102301_100011218921 [0,1,0,0,0,0|2,0,1]=4 5465 B10R0.83 CCCCNC(=O)C(=O)OC 11a_100000102301_100000024059 [0,1,0,0,0,0|2,0,1]=4 5466 B10R0.83 CCCCNC(=O)C(=O)OC 1626a_100000102301_100000024059 [0,1,0,0,0,0|2,0,1]=4 5467 B10R0.83 CCCCNC(=O)C(=O)OC 240690a_100000102301_100000024059 [0,1,0,0,0,0|2,0,1]=4 5468 B10R0.83 CCCCNC(=O)C(=O)OC 527a_100000102301_100000024059 [0,1,0,0,0,0|2,0,1]=4 5469 B10R0.83 CCCCNC(C)C(=O)CC 2230a_100000102301_100000742827 [0,1,0,0,0,0|1,0,0]=2 5470 B10R0.83 CCCCNC(C)C(=O)CC 7a_106832991798_100000742827 [0,1,0,0,0,0|1,0,0]=2 5471 B10R0.83 CCCCNC(C)C(=O)NC 2230a_100000102301_100000731044 [0,1,0,0,0,0|2,0,0]=3 5472 B10R0.83 CCCCNC(C)C(=O)NC 7a_106832991798_100000209862 [0,1,0,0,0,0|2,0,0]=3 5473 B10R0.83 CCCCNC(C)C(=O)OC 2230a_100000102301_100000211248 [0,1,0,0,0,0|2,0,0]=3 5474 B10R0.83 CCCCNC(C)C(=O)OC 7a_106832991798_100000211248 [0,1,0,0,0,0|2,0,0]=3 5475 B10R0.83 CCCCNC(C)C(C)CC 269862a_100000102301_100000210599 [0,1,0,0,0,0|2,0,1]=4 5476 B10R0.83 CCCCNC(C)C(C)CC 270004a_100000102301_100000210599 [0,1,0,0,0,0|2,0,1]=4 5477 B10R0.83 CCCCNC(F)C(=O)NC 2230a_100000102301_100009813575 [0,1,0,0,0,0|2,0,0]=3 5478 B10R0.83 CCCCNC(F)C(=O)NC 7a_106832991798_100009813575 [0,1,0,0,0,0|2,0,0]=3 5479 B10R0.83 CCCCN[C@H](C)C(=O)NC 2230a_100000684985_100000210211 [0,1,0,0,0,0|2,0,0]=3 5480 B10R0.83 CCCCN[C@H](C)C(=O)NC 34a_100000684985_100000210210 [0,1,0,0,0,0|2,0,0]=3 5481 B10R0.83 CCCCOC(C)C(=O)CC 7a_100000210227_100000742827 [0,1,0,0,0,0|1,0,0]=2 5482 B10R0.83 CCCCOC(C)C(=O)NC 34a_100000210227_100000731044 [0,1,0,0,0,0|2,0,0]=3 5483 B10R0.83 CCCCOC(C)C(=O)NC 7a_100000210227_100000209862 [0,1,0,0,0,0|2,0,0]=3 5484 B10R0.83 CCCCOC(C)C(=O)NN 34a_100000725659_100000210210 [0,1,0,0,0,0|3,0,0]=4 5485 B10R0.83 CCCCOC(C)C(=O)OC 34a_100000210227_100000211248 [0,1,0,0,0,0|2,0,0]=3 5486 B10R0.83 CCCCOC(C)C(=O)OC 34a_100011215400_100000210210 [0,1,0,0,0,0|2,0,0]=3 5487 B10R0.83 CCCCOC(C)C(=O)OC 7a_100000210227_100000211248 [0,1,0,0,0,0|2,0,0]=3 5488 B10R0.83 CCCCOC(C)C(C)CC 7a_100011215189_100000210211 [0,1,0,0,0,0|2,0,1]=4 5489 B10R0.83 CCCCOC(F)C(=O)NC 34a_100000210227_100009813575 [0,1,0,0,0,0|2,0,0]=3 5490 B10R0.83 CCCCOC(F)C(=O)NC 7a_100000210227_100009813575 [0,1,0,0,0,0|2,0,0]=3 5491 B10R0.83 CCCCSC(C)C(=O)CC 1458a_100000191163_100000210202 [0,1,0,0,0,0|1,0,0]=2 5492 B10R0.83 CCCCSC(C)C(=O)CC 62a_100000210211_100000742827 [0,1,0,0,0,0|1,0,0]=2 5493 B10R0.83 CCCCSC(C)C(=O)CC 62a_100000742827_100000210210 [0,1,0,0,0,0|1,0,0]=2 5494 B10R0.83 CCCCSC(C)C(=O)CF 1458a_100000191163_100015361967 [0,1,0,0,0,0|2,0,0]=3 5495 B10R0.83 CCCCSC(C)C(=O)NC 11a_106832991635_100000191163 [0,1,0,0,0,0|2,0,0]=3 5496 B10R0.83 CCCCSC(C)C(=O)NC 1626a_100102657272_100000191163 [0,1,0,0,0,0|2,0,0]=3 5497 B10R0.83 CCCCSC(C)C(=O)NC 240690a_100102657272_100000191163 [0,1,0,0,0,0|2,0,0]=3 5498 B10R0.83 CCCCSC(C)C(=O)NC 527a_100102657272_100000191163 [0,1,0,0,0,0|2,0,0]=3 5499 B10R0.83 CCCCSC(C)C(=O)NC 62a_100000209862_100000210210 [0,1,0,0,0,0|2,0,0]=3 5500 B10R0.83 CCCCSC(C)C(=O)NC 62a_100000210211_100000731044 [0,1,0,0,0,0|2,0,0]=3 5501 B10R0.83 CCCCSC(C)C(=O)OC 62a_100000210211_100000211248 [0,1,0,0,0,0|2,0,0]=3 5502 B10R0.83 CCCCSC(C)C(=O)OC 62a_100000211248_100000210210 [0,1,0,0,0,0|2,0,0]=3 5503 B10R0.83 CCCCSC(F)C(=O)NC 62a_100000210211_100009813575 [0,1,0,0,0,0|2,0,0]=3 5504 B10R0.83 CCCCSC(F)C(=O)NC 62a_100009813575_100000210210 [0,1,0,0,0,0|2,0,0]=3 5505 B10R0.83 CCCNCC(C)C(=O)NC 2230a_100015187722_100000210303 [0,1,0,0,0,0|2,0,0]=3 5506 B10R0.83 CCCNCC(C)C(=O)NC 34a_100015187722_100000210303 [0,1,0,0,0,0|2,0,0]=3 5507 B10R0.83 CCCOCC(=O)C(=O)OC 34a_100000210258_100011610305 [0,1,0,0,0,0|2,0,1]=4 5508 B10R0.83 CCCOCC(C)C(=O)OC 34a_100000210258_100000698445 [0,1,0,0,0,0|2,0,0]=3 5509 B10R0.83 CCCOCC(C)C(=O)OC 34a_100000749362_100000210303 [0,1,0,0,0,0|2,0,0]=3 5510 B10R0.83 CCCOCC(C)C(=O)OC 7a_100000749362_100000210303 [0,1,0,0,0,0|2,0,0]=3 5511 B10R0.83 CCCOCC(C)N(C)CC 7a_100000732741_100000210303 [0,1,0,0,0,0|3,0,0]=4 5512 B10R0.83 CCCOCC(F)C(=O)OC 34a_200009849844_100000210303 [0,1,0,0,0,0|2,0,0]=3 5513 B10R0.83 CCCOCC(N)C(=O)NN 34a_100016989258_100000210303 [0,1,0,0,0,0|3,0,0]=4 5514 B10R0.83 CCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210303 [0,1,0,0,0,0|2,0,0]=3 5515 B10R0.83 CCCSCC(=O)C(=O)OC 62a_100000210303_100011610305 [0,1,0,0,0,0|2,0,1]=4 5516 B10R0.83 CCCSCC(=O)C(=O)OC 62a_100011610305_100000210303 [0,1,0,0,0,0|2,0,1]=4 5517 B10R0.83 CCCSCC(C)C(=O)OC 62a_100000210303_100000698445 [0,1,0,0,0,0|2,0,0]=3 5518 B10R0.83 CCCSCC(C)C(=O)OC 62a_100000698445_100000210303 [0,1,0,0,0,0|2,0,0]=3 5519 B10R0.83 CCNCCC(C)C(=O)OC 2230a_100015525214_100000034942 [0,1,0,0,0,0|2,0,0]=3 5520 B10R0.83 CCOCCC(=O)C(=O)NC 1458a_100011218921_100011215890 [0,1,0,0,0,0|2,0,1]=4 5521 B10R0.83 CCOCCC(C)C(=O)OC 34a_100121572206_100000034942 [0,1,0,0,0,0|2,0,0]=3 5522 B10R0.83 CCOCSC(C)C(=O)CC 62a_100000739092_100000742827 [0,1,0,0,0,0|2,0,0]=3 5523 B10R0.83 CCOCSC(C)C(=O)CC 62a_100000742827_100000739092 [0,1,0,0,0,0|2,0,0]=3 5524 B10R0.83 CCOCSC(C)C(=O)NC 62a_100000209862_100000739092 [0,1,0,0,0,0|3,0,0]=4 5525 B10R0.83 CCOCSC(C)C(=O)NC 62a_100000739092_100000731044 [0,1,0,0,0,0|3,0,0]=4 5526 B10R0.83 CCOCSC(C)C(=O)OC 62a_100000211248_100000739092 [0,1,0,0,0,0|3,0,0]=4 5527 B10R0.83 CCOCSC(C)C(=O)OC 62a_100000739092_100000211248 [0,1,0,0,0,0|3,0,0]=4 5528 B10R0.83 CCOCSC(F)C(=O)NC 62a_100000739092_100009813575 [0,1,0,0,0,0|3,0,0]=4 5529 B10R0.83 CCOCSC(F)C(=O)NC 62a_100009813575_100000739092 [0,1,0,0,0,0|3,0,0]=4 5530 B10R0.83 CCSCCC(=O)C(=O)NC 1458a_100011218921_100000757381 [0,1,0,0,0,0|2,0,1]=4 5531 B10R0.83 CCSCCC(C)C(=O)OC 62a_100000034942_100000210202 [0,1,0,0,0,0|2,0,0]=3 5532 B10R0.83 CCSCCC(C)C(=O)OC 62a_100000210202_100000034942 [0,1,0,0,0,0|2,0,0]=3 5533 B10R0.83 CN(CCCCO)C(=O)CO 240690a_100000717598_100000210174 [0,1,0,0,0,0|3,0,0]=4 5534 B10R0.83 CNC(=O)C(=O)CCCCF 1458a_100011218921_100000729493 [0,1,0,0,0,0|2,0,1]=4 5535 B10R0.83 CNC(=O)C(=O)CCCCO 1458a_100011218921_100000210776 [0,1,0,0,0,0|2,0,1]=4 5536 B10R0.83 CNC(=O)C(=O)CCCOC 1458a_100011218921_100000740836 [0,1,0,0,0,0|2,0,1]=4 5537 B10R0.83 CNC(=O)C(C)CNCCF 2230a_100015187722_100011217306 [0,1,0,0,0,0|3,0,0]=4 5538 B10R0.83 CNC(=O)C(C)CNCCF 34a_100015187722_100011217306 [0,1,0,0,0,0|3,0,0]=4 5539 B10R0.83 CNC(=O)C(C)CNCCO 2230a_100015187722_100000211926 [0,1,0,0,0,0|3,0,0]=4 5540 B10R0.83 CNC(=O)C(C)CNCCO 34a_100015187722_100000211926 [0,1,0,0,0,0|3,0,0]=4 5541 B10R0.83 CNC(=O)C(C)CNCOC 2230a_100015187722_100000766300 [0,1,0,0,0,0|3,0,0]=4 5542 B10R0.83 CNC(=O)C(C)CNCSC 2230a_100015187722_100011218213 [0,1,0,0,0,0|3,0,0]=4 5543 B10R0.83 CNC(=O)C(C)CNCSC 34a_100015187722_100011218213 [0,1,0,0,0,0|3,0,0]=4 5544 B10R0.83 CNC(=O)C(C)NCCCF 2230a_100015189416_100000731044 [0,1,0,0,0,0|3,0,0]=4 5545 B10R0.83 CNC(=O)C(C)NCCCF 34a_100015189416_100000731044 [0,1,0,0,0,0|3,0,0]=4 5546 B10R0.83 CNC(=O)C(C)NCCOC 2230a_100000209980_100000731044 [0,1,0,0,0,0|3,0,0]=4 5547 B10R0.83 CNC(=O)C(C)NCCSC 2230a_100020590264_100000731044 [0,1,0,0,0,0|3,0,0]=4 5548 B10R0.83 CNC(=O)C(C)OCCCBr 34a_100011217188_100000731044 [0,1,0,0,0,0|3,0,0]=4 5549 B10R0.83 CNC(=O)C(C)OCCCCl 34a_100000230001_100000731044 [0,1,0,0,0,0|3,0,0]=4 5550 B10R0.83 CNC(=O)C(C)OCCCF 34a_100000759539_100000731044 [0,1,0,0,0,0|3,0,0]=4 5551 B10R0.83 CNC(=O)C(C)OCCCN 34a_100000182051_100000731044 [0,1,0,0,0,0|3,0,0]=4 5552 B10R0.83 CNC(=O)C(C)OCCOC 34a_100000210237_100000731044 [0,1,0,0,0,0|3,0,0]=4 5553 B10R0.83 CNC(=O)C(C)OCCSC 34a_100000230434_100000731044 [0,1,0,0,0,0|3,0,0]=4 5554 B10R0.83 CNC(=O)C(C)OCCSC 7a_100000230434_100000209862 [0,1,0,0,0,0|3,0,0]=4 5555 B10R0.83 CNC(=O)C(C)SCCCF 62a_100000209862_100011934791 [0,1,0,0,0,0|3,0,0]=4 5556 B10R0.83 CNC(=O)C(C)SCCCF 62a_100011934791_100000731044 [0,1,0,0,0,0|3,0,0]=4 5557 B10R0.83 CNC(=O)C(C)SCCCO 62a_100000209862_100011215043 [0,1,0,0,0,0|3,0,0]=4 5558 B10R0.83 CNC(=O)C(C)SCCCO 62a_100011215043_100000731044 [0,1,0,0,0,0|3,0,0]=4 5559 B10R0.83 CNC(=O)C(C)SCCOC 62a_100000209862_100000233755 [0,1,0,0,0,0|3,0,0]=4 5560 B10R0.83 CNC(=O)C(C)SCCOC 62a_100000233755_100000731044 [0,1,0,0,0,0|3,0,0]=4 5561 B10R0.83 CNC(=O)C(C)SCCSC 62a_100000209862_100000751147 [0,1,0,0,0,0|3,0,0]=4 5562 B10R0.83 CNC(=O)C(C)SCCSC 62a_100000212216_100000731044 [0,1,0,0,0,0|3,0,0]=4 5563 B10R0.83 CNC(=O)C(F)NCCCF 2230a_100015189416_100009813575 [0,1,0,0,0,0|3,0,0]=4 5564 B10R0.83 CNC(=O)C(F)NCCCF 34a_100015189416_100009813575 [0,1,0,0,0,0|3,0,0]=4 5565 B10R0.83 CNC(=O)C(F)NCCOC 2230a_100000209980_100009813575 [0,1,0,0,0,0|3,0,0]=4 5566 B10R0.83 CNC(=O)C(F)NCCSC 2230a_100020590264_100009813575 [0,1,0,0,0,0|3,0,0]=4 5567 B10R0.83 CNC(=O)C(F)OCCCBr 34a_100011217188_100009813575 [0,1,0,0,0,0|3,0,0]=4 5568 B10R0.83 CNC(=O)C(F)OCCCCl 34a_100000230001_100009813575 [0,1,0,0,0,0|3,0,0]=4 5569 B10R0.83 CNC(=O)C(F)OCCCF 34a_100000759539_100009813575 [0,1,0,0,0,0|3,0,0]=4 5570 B10R0.83 CNC(=O)C(F)OCCCN 34a_100000182051_100009813575 [0,1,0,0,0,0|3,0,0]=4 5571 B10R0.83 CNC(=O)C(F)OCCOC 34a_100000210237_100009813575 [0,1,0,0,0,0|3,0,0]=4 5572 B10R0.83 CNC(=O)C(F)OCCSC 34a_100000230434_100009813575 [0,1,0,0,0,0|3,0,0]=4 5573 B10R0.83 CNC(=O)C(F)OCCSC 7a_100000230434_100009813575 [0,1,0,0,0,0|3,0,0]=4 5574 B10R0.83 CNC(=O)C(F)SCCCF 62a_100009813575_100011934791 [0,1,0,0,0,0|3,0,0]=4 5575 B10R0.83 CNC(=O)C(F)SCCCF 62a_100011934791_100009813575 [0,1,0,0,0,0|3,0,0]=4 5576 B10R0.83 CNC(=O)C(F)SCCCO 62a_100009813575_100011215043 [0,1,0,0,0,0|3,0,0]=4 5577 B10R0.83 CNC(=O)C(F)SCCCO 62a_100011215043_100009813575 [0,1,0,0,0,0|3,0,0]=4 5578 B10R0.83 CNC(=O)C(F)SCCOC 62a_100000233755_100009813575 [0,1,0,0,0,0|3,0,0]=4 5579 B10R0.83 CNC(=O)C(F)SCCOC 62a_100009813575_100000233755 [0,1,0,0,0,0|3,0,0]=4 5580 B10R0.83 CNC(=O)C(F)SCCSC 62a_100000212216_100009813575 [0,1,0,0,0,0|3,0,0]=4 5581 B10R0.83 CNC(=O)C(F)SCCSC 62a_100009813575_100000751147 [0,1,0,0,0,0|3,0,0]=4 5582 B10R0.83 CNC(=O)N(C)CCCCO 2708a_100102657272_100000717598 [0,1,0,0,0,0|3,0,0]=4 5583 B10R0.83 CNC(=O)N(C)CCCCO 273464a_100102657272_100000717598 [0,1,0,0,0,0|3,0,0]=4 5584 B10R0.83 CNC(=O)N(C)CCCOC 2708a_100102657272_100000224831 [0,1,0,0,0,0|3,0,0]=4 5585 B10R0.83 CNC(=O)N(C)CCCOC 273464a_100102657272_100000224831 [0,1,0,0,0,0|3,0,0]=4 5586 B10R0.83 CNC(=O)[C@@H](C)NCCCF 2230a_100000684985_100011934791 [0,1,0,0,0,0|3,0,0]=4 5587 B10R0.83 CNC(=O)[C@@H](C)NCCCF 34a_100000684985_100011934791 [0,1,0,0,0,0|3,0,0]=4 5588 B10R0.83 CNC(=O)[C@@H](C)NCCCO 2230a_100000684985_100000230001 [0,1,0,0,0,0|3,0,0]=4 5589 B10R0.83 CNC(=O)[C@@H](C)NCCCO 34a_100000684985_100000230001 [0,1,0,0,0,0|3,0,0]=4 5590 B10R0.83 CNC(=O)[C@@H](C)NCCOC 2230a_100000684985_100011201679 [0,1,0,0,0,0|3,0,0]=4 5591 B10R0.83 CNC(=O)[C@@H](C)NCCOC 34a_100000684985_100011201679 [0,1,0,0,0,0|3,0,0]=4 5592 B10R0.83 CNC(=O)[C@@H](C)NCCSC 2230a_100000684985_100000751147 [0,1,0,0,0,0|3,0,0]=4 5593 B10R0.83 CNC(=O)[C@@H](C)NCCSC 34a_100000684985_100000212216 [0,1,0,0,0,0|3,0,0]=4 5594 B10R0.83 COC(=O)C(C)CCSCF 62a_100000034942_100015361967 [0,1,0,0,0,0|3,0,0]=4 5595 B10R0.83 COC(=O)C(C)CCSCF 62a_100015361967_100000034942 [0,1,0,0,0,0|3,0,0]=4 5596 B10R0.83 COC(=O)C(C)CNCCF 34a_100000724931_100000698445 [0,1,0,0,0,0|3,0,0]=4 5597 B10R0.83 COC(=O)C(C)CNCCO 34a_100016990907_100000698445 [0,1,0,0,0,0|3,0,0]=4 5598 B10R0.83 COC(=O)C(C)COCCBr 34a_100000211926_100000698445 [0,1,0,0,0,0|3,0,0]=4 5599 B10R0.83 COC(=O)C(C)COCCF 34a_100000749362_100011217306 [0,1,0,0,0,0|3,0,0]=4 5600 B10R0.83 COC(=O)C(C)COCCF 7a_100000749362_100011217306 [0,1,0,0,0,0|3,0,0]=4 5601 B10R0.83 COC(=O)C(C)COCCN 34a_100000210304_100000698445 [0,1,0,0,0,0|3,0,0]=4 5602 B10R0.83 COC(=O)C(C)COCCO 34a_100000749362_100000211926 [0,1,0,0,0,0|3,0,0]=4 5603 B10R0.83 COC(=O)C(C)COCCO 7a_100000749362_100000211926 [0,1,0,0,0,0|3,0,0]=4 5604 B10R0.83 COC(=O)C(C)COCSC 34a_100000749362_100011218213 [0,1,0,0,0,0|3,0,0]=4 5605 B10R0.83 COC(=O)C(C)CSCCF 62a_100000698445_100011217306 [0,1,0,0,0,0|3,0,0]=4 5606 B10R0.83 COC(=O)C(C)CSCCF 62a_100011217306_100000698445 [0,1,0,0,0,0|3,0,0]=4 5607 B10R0.83 COC(=O)C(C)CSCCO 62a_100000211926_100000698445 [0,1,0,0,0,0|3,0,0]=4 5608 B10R0.83 COC(=O)C(C)CSCCO 62a_100000698445_100000211926 [0,1,0,0,0,0|3,0,0]=4 5609 B10R0.83 COC(=O)C(C)CSCSC 62a_100000698445_100011218213 [0,1,0,0,0,0|3,0,0]=4 5610 B10R0.83 COC(=O)C(C)CSCSC 62a_100011218213_100000698445 [0,1,0,0,0,0|3,0,0]=4 5611 B10R0.83 COC(=O)C(C)NCCCF 2230a_100015189416_100000211248 [0,1,0,0,0,0|3,0,0]=4 5612 B10R0.83 COC(=O)C(C)NCCCF 34a_100015189416_100000211248 [0,1,0,0,0,0|3,0,0]=4 5613 B10R0.83 COC(=O)C(C)NCCSC 2230a_100020590264_100000211248 [0,1,0,0,0,0|3,0,0]=4 5614 B10R0.83 COC(=O)C(C)OCCCBr 34a_100011217188_100000211248 [0,1,0,0,0,0|3,0,0]=4 5615 B10R0.83 COC(=O)C(C)OCCCCl 34a_100000230001_100000211248 [0,1,0,0,0,0|3,0,0]=4 5616 B10R0.83 COC(=O)C(C)OCCCF 34a_100000759539_100000211248 [0,1,0,0,0,0|3,0,0]=4 5617 B10R0.83 COC(=O)C(C)OCCCF 34a_100011215400_100011934791 [0,1,0,0,0,0|3,0,0]=4 5618 B10R0.83 COC(=O)C(C)OCCCN 34a_100000182051_100000211248 [0,1,0,0,0,0|3,0,0]=4 5619 B10R0.83 COC(=O)C(C)OCCCO 34a_100011215400_100000230001 [0,1,0,0,0,0|3,0,0]=4 5620 B10R0.83 COC(=O)C(C)OCCSC 34a_100000230434_100000211248 [0,1,0,0,0,0|3,0,0]=4 5621 B10R0.83 COC(=O)C(C)OCCSC 34a_100011215400_100000212216 [0,1,0,0,0,0|3,0,0]=4 5622 B10R0.83 COC(=O)C(C)OCCSC 7a_100000230434_100000211248 [0,1,0,0,0,0|3,0,0]=4 5623 B10R0.83 COC(=O)C(C)SCCCF 62a_100000211248_100011934791 [0,1,0,0,0,0|3,0,0]=4 5624 B10R0.83 COC(=O)C(C)SCCCF 62a_100011934791_100000211248 [0,1,0,0,0,0|3,0,0]=4 5625 B10R0.83 COC(=O)C(C)SCCCO 62a_100000211248_100011215043 [0,1,0,0,0,0|3,0,0]=4 5626 B10R0.83 COC(=O)C(C)SCCCO 62a_100011215043_100000211248 [0,1,0,0,0,0|3,0,0]=4 5627 B10R0.83 COC(=O)C(C)SCCSC 62a_100000211248_100000751147 [0,1,0,0,0,0|3,0,0]=4 5628 B10R0.83 COC(=O)C(C)SCCSC 62a_100000212216_100000211248 [0,1,0,0,0,0|3,0,0]=4 5629 B10R0.83 COC(=O)C(F)COCCF 34a_200009849844_100011217306 [0,1,0,0,0,0|3,0,0]=4 5630 B10R0.83 COC(=O)C(F)COCCO 34a_200009849844_100000211926 [0,1,0,0,0,0|3,0,0]=4 5631 B10R0.83 COC(=O)C(F)COCSC 34a_200009849844_100011218213 [0,1,0,0,0,0|3,0,0]=4 5632 B10R0.83 COC(=O)[C@H](N)COCCF 34a_100000003586_100011217306 [0,1,0,0,0,0|3,0,0]=4 5633 B10R0.83 COC(=O)[C@H](N)COCCO 34a_100000003586_100000211926 [0,1,0,0,0,0|3,0,0]=4 5634 B10R0.83 COC(=O)[C@H](N)COCSC 34a_100000003586_100011218213 [0,1,0,0,0,0|3,0,0]=4 5635 B10R0.83 COCCCN(C)C(=O)CO 240690a_100000224831_100000210174 [0,1,0,0,0,0|3,0,0]=4 5636 B10R0.83 COCCCN(C)C(=O)CO 527a_100000224831_100000210174 [0,1,0,0,0,0|3,0,0]=4 5637 B10R0.83 COCCNC(C)C(=O)OC 2230a_100000209980_100000211248 [0,1,0,0,0,0|3,0,0]=4 5638 B10R0.83 COCCOC(C)C(=O)OC 34a_100000210237_100000211248 [0,1,0,0,0,0|3,0,0]=4 5639 B10R0.83 COCCOC(C)C(=O)OC 34a_100011215400_100011201679 [0,1,0,0,0,0|3,0,0]=4 5640 B10R0.83 COCCSC(C)C(=O)OC 62a_100000211248_100000233755 [0,1,0,0,0,0|3,0,0]=4 5641 B10R0.83 COCCSC(C)C(=O)OC 62a_100000233755_100000211248 [0,1,0,0,0,0|3,0,0]=4 5642 B10R0.83 COCSCC(C)C(=O)OC 62a_100000698445_100000766300 [0,1,0,0,0,0|3,0,0]=4 5643 B10R0.83 COCSCC(C)C(=O)OC 62a_100000766300_100000698445 [0,1,0,0,0,0|3,0,0]=4 5644 B10R0.108 C#CCC(C)OCC(=O)CC 7a_100000685586_100000747405 [0,1,0,0,0,0|1,0,2]=4 5645 B10R0.108 C=CC[C@@H](C)OCC(=O)CC 7a_100000731007_100000747405 [0,1,0,0,0,0|1,0,2]=4 5646 B10R0.108 CCC(=O)COC(C)CCO 34a_100000725409_100009893172 [0,1,0,0,0,0|2,0,0]=3 5647 B10R0.108 CCC(=O)COC(C)COC 34a_100000725409_100000765312 [0,1,0,0,0,0|2,0,0]=3 5648 B10R0.108 CCC(=O)CSC(C)CC#N 62a_100000747405_100009813641 [0,1,0,0,0,0|2,0,1]=4 5649 B10R0.108 CCC(=O)CSC(C)CC#N 62a_100009813641_100000747405 [0,1,0,0,0,0|2,0,1]=4 5650 B10R0.108 CCC(=O)CSC(C)CCO 62a_100000747405_100009893172 [0,1,0,0,0,0|2,0,0]=3 5651 B10R0.108 CCC(=O)CSC(C)CCO 62a_100009893172_100000747405 [0,1,0,0,0,0|2,0,0]=3 5652 B10R0.108 CCC(=O)CSC(C)COC 62a_100000747405_100000765312 [0,1,0,0,0,0|2,0,0]=3 5653 B10R0.108 CCC(=O)CSC(C)COC 62a_100000765312_100000747405 [0,1,0,0,0,0|2,0,0]=3 5654 B10R0.108 CCC(=O)NCC(=O)CCF 1458a_100000194589_100011217306 [0,1,0,0,0,0|2,0,1]=4 5655 B10R0.108 CCC(=O)NCC(=O)CCO 1458a_100000194589_100000211926 [0,1,0,0,0,0|2,0,1]=4 5656 B10R0.108 CCC(=O)NCC(O)COC 240690a_100000756049_100000210414 [0,1,0,0,0,0|2,0,0]=3 5657 B10R0.108 CCC(=O)NCC(O)COC 527a_100000756049_100000210414 [0,1,0,0,0,0|2,0,0]=3 5658 B10R0.108 CCCC(=NNC(=O)CC)C 4a_100000183195_100000211909 [0,1,0,0,0,0|2,0,1]=4 5659 B10R0.108 CCCC(=O)CCC(=O)NC 1458a_100011309844_100000210303 [0,1,0,0,0,0|1,0,1]=3 5660 B10R0.108 CCCC(=O)CCC(=O)OC 1458a_100000187943_100000210303 [0,1,0,0,0,0|1,0,1]=3 5661 B10R0.108 CCCC(=O)CCC(C)CC 1458a_100000701222_100000210303 [0,1,0,0,0,0|1,0,2]=4 5662 B10R0.108 CCCC(=O)CCN(C)CC 1458a_100000755305_100000210303 [0,1,0,0,0,0|2,0,1]=4 5663 B10R0.108 CCCC(=O)CCS(=O)CC 1458a_100011387550_100000210303 [0,1,0,0,0,0|1,0,1]=3 5664 B10R0.108 CCCC(=O)CNC(=O)CC 1458a_100000194589_100000210303 [0,1,0,0,0,0|1,0,1]=3 5665 B10R0.108 CCCC(=O)CNC(=O)OC 1458a_100000215747_100000210303 [0,1,0,0,0,0|2,0,1]=4 5666 B10R0.108 CCCC(=O)NCC(=O)NC 11a_100000693194_100000211992 [0,1,0,0,0,0|2,0,1]=4 5667 B10R0.108 CCCC(=O)NCC(=O)NC 240690a_100000693194_100000211992 [0,1,0,0,0,0|2,0,1]=4 5668 B10R0.108 CCCC(=O)NCC(=O)NC 527a_100000693194_100000211992 [0,1,0,0,0,0|2,0,1]=4 5669 B10R0.108 CCCC(=O)NCC(=O)OC 188690a_100000185156_100000211992 [0,1,0,0,0,0|2,0,1]=4 5670 B10R0.108 CCCC(=O)NNC(=O)CC 22a_100000183195_100000211992 [0,1,0,0,0,0|2,0,1]=4 5671 B10R0.108 CCCC(=O)NNC(=O)CC 22a_100000189770_100000210414 [0,1,0,0,0,0|2,0,1]=4 5672 B10R0.108 CCCC(=O)OCC(=O)CC 1458a_100000210414_100000034017 [0,1,0,0,0,0|1,0,1]=3 5673 B10R0.108 CCCC(=O)OCC(=O)CO 1458a_100000210174_100000034017 [0,1,0,0,0,0|2,0,1]=4 5674 B10R0.108 CCCC(C)CCC(C)NC 270004a_106832991635_200011216527 [0,1,0,0,0,0|2,0,1]=4 5675 B10R0.108 CCCC(C)CNC(C)CC 2230a_100000209981_100011216630 [0,1,0,0,0,0|2,0,1]=4 5676 B10R0.108 CCCC(C)CNC(C)CC 270004a_100000209981_100000243154 [0,1,0,0,0,0|2,0,1]=4 5677 B10R0.108 CCCC(C)COC(C)CC 34a_100000688023_100011215416 [0,1,0,0,0,0|2,0,1]=4 5678 B10R0.108 CCCC(C)COC(C)CC 7a_100000210228_100011216630 [0,1,0,0,0,0|2,0,1]=4 5679 B10R0.108 CCCC(C)COC(C)CC 7a_100000688023_100000758301 [0,1,0,0,0,0|2,0,1]=4 5680 B10R0.108 CCCC(C)CSC(C)CC 62a_100000758301_100011216630 [0,1,0,0,0,0|2,0,1]=4 5681 B10R0.108 CCCC(C)CSC(C)CC 62a_100011216630_100000758301 [0,1,0,0,0,0|2,0,1]=4 5682 B10R0.108 CCCC(C)NCC(=O)NC 2230a_100000693194_100000766640 [0,1,0,0,0,0|2,0,0]=3 5683 B10R0.108 CCCC(C)NCC(=O)NC 2230a_100000741246_100000183359 [0,1,0,0,0,0|2,0,0]=3 5684 B10R0.108 CCCC(C)NCC(=O)NC 270004a_100000693194_100000211909 [0,1,0,0,0,0|2,0,0]=3 5685 B10R0.108 CCCC(C)NCC(=O)OC 2230a_100000741246_100000747449 [0,1,0,0,0,0|2,0,0]=3 5686 B10R0.108 CCCC(C)NCC(C)CC 2230a_100000741246_100000748023 [0,1,0,0,0,0|2,0,1]=4 5687 B10R0.108 CCCC(C)NCC(C)CC 2230a_100020588543_100000766640 [0,1,0,0,0,0|2,0,1]=4 5688 B10R0.108 CCCC(C)NCC(C)CC 270004a_100000741246_100000243153 [0,1,0,0,0,0|2,0,1]=4 5689 B10R0.108 CCCC(C)NCC(C)CC 270004a_100020588543_100000211909 [0,1,0,0,0,0|2,0,1]=4 5690 B10R0.108 CCCC(C)NCC(O)CC 2230a_100000741246_100011218378 [0,1,0,0,0,0|1,0,2]=4 5691 B10R0.108 CCCC(C)NCC(O)CC 2230a_100011218483_100000766640 [0,1,0,0,0,0|1,0,2]=4 5692 B10R0.108 CCCC(C)NCC(O)CC 270004a_100011218483_100000211909 [0,1,0,0,0,0|1,0,2]=4 5693 B10R0.108 CCCC(C)NC[C@@H](C)CC 2230a_100000741246_100009816398 [0,1,0,0,0,0|2,0,1]=4 5694 B10R0.108 CCCC(C)OCC(=O)CC 34a_100000725409_100000766640 [0,1,0,0,0,0|1,0,0]=2 5695 B10R0.108 CCCC(C)OCC(=O)CC 7a_100000764384_100000747405 [0,1,0,0,0,0|1,0,0]=2 5696 B10R0.108 CCCC(C)OCC(=O)NC 34a_100000750040_100000766640 [0,1,0,0,0,0|2,0,0]=3 5697 B10R0.108 CCCC(C)OCC(=O)NC 34a_100000764384_100000183359 [0,1,0,0,0,0|2,0,0]=3 5698 B10R0.108 CCCC(C)OCC(=O)NC 7a_100000764384_100000183359 [0,1,0,0,0,0|2,0,0]=3 5699 B10R0.108 CCCC(C)OCC(=O)OC 34a_100000764384_100000747449 [0,1,0,0,0,0|2,0,0]=3 5700 B10R0.108 CCCC(C)OCC(=O)OC 7a_100000764384_100000747449 [0,1,0,0,0,0|2,0,0]=3 5701 B10R0.108 CCCC(C)OCC(C)CC 34a_100000764384_100000748023 [0,1,0,0,0,0|2,0,1]=4 5702 B10R0.108 CCCC(C)OCC(C)CC 7a_100000764384_100000748023 [0,1,0,0,0,0|2,0,1]=4 5703 B10R0.108 CCCC(C)OCC(O)CC 34a_100000764384_100011218378 [0,1,0,0,0,0|1,0,2]=4 5704 B10R0.108 CCCC(C)OCC(O)CC 7a_100000764384_100011218378 [0,1,0,0,0,0|1,0,2]=4 5705 B10R0.108 CCCC(C)OC[C@@H](C)CC 34a_100000764384_100009816398 [0,1,0,0,0,0|2,0,1]=4 5706 B10R0.108 CCCC(C)OC[C@@H](C)CC 7a_100000764384_100009816398 [0,1,0,0,0,0|2,0,1]=4 5707 B10R0.108 CCCC(C)OC[C@@H](C)CC 7a_100009816381_100000766640 [0,1,0,0,0,0|2,0,1]=4 5708 B10R0.108 CCCC(C)SCC(=O)CC 62a_100000747405_100000766640 [0,1,0,0,0,0|1,0,0]=2 5709 B10R0.108 CCCC(C)SCC(=O)CC 62a_100000766640_100000747405 [0,1,0,0,0,0|1,0,0]=2 5710 B10R0.108 CCCC(C)SCC(=O)NC 62a_100000183359_100000766640 [0,1,0,0,0,0|2,0,0]=3 5711 B10R0.108 CCCC(C)SCC(=O)NC 62a_100000766640_100000183359 [0,1,0,0,0,0|2,0,0]=3 5712 B10R0.108 CCCC(C)SCC(=O)OC 62a_100000747449_100000766640 [0,1,0,0,0,0|2,0,0]=3 5713 B10R0.108 CCCC(C)SCC(=O)OC 62a_100000766640_100000747449 [0,1,0,0,0,0|2,0,0]=3 5714 B10R0.108 CCCC(C)SCC(C)CC 62a_100000748023_100000766640 [0,1,0,0,0,0|2,0,1]=4 5715 B10R0.108 CCCC(C)SCC(C)CC 62a_100000766640_100000748023 [0,1,0,0,0,0|2,0,1]=4 5716 B10R0.108 CCCC(C)SCC(O)CC 62a_100000766640_100011218378 [0,1,0,0,0,0|1,0,2]=4 5717 B10R0.108 CCCC(C)SCC(O)CC 62a_100011218378_100000766640 [0,1,0,0,0,0|1,0,2]=4 5718 B10R0.108 CCCC(C)SC[C@@H](C)CC 62a_100000766640_100009816398 [0,1,0,0,0,0|2,0,1]=4 5719 B10R0.108 CCCC(C)SC[C@@H](C)CC 62a_100009816398_100000766640 [0,1,0,0,0,0|2,0,1]=4 5720 B10R0.108 CCCN(C)CCC(=O)NC 2230a_100000747261_100000737683 [0,1,0,0,0,0|2,0,0]=3 5721 B10R0.108 CCCN(C)CCC(=O)NC 2230a_100000750875_100000210303 [0,1,0,0,0,0|2,0,0]=3 5722 B10R0.108 CCCN(C)CCC(=O)NC 269982a_100000747261_100000737683 [0,1,0,0,0,0|2,0,0]=3 5723 B10R0.108 CCCN(C)CCC(=O)NC 269982a_100000750875_100000210303 [0,1,0,0,0,0|2,0,0]=3 5724 B10R0.108 CCCN(C)CCC(=O)OC 2230a_100000747261_100000204255 [0,1,0,0,0,0|2,0,0]=3 5725 B10R0.108 CCCN(C)CCC(=O)OC 269982a_100000747261_100000204255 [0,1,0,0,0,0|2,0,0]=3 5726 B10R0.108 CCCN(C)CCC(=O)OC 269982a_100025711912_100000210303 [0,1,0,0,0,0|2,0,0]=3 5727 B10R0.108 CCC[C@H](N)COC(C)CC 34a_100000732646_100011215416 [0,1,0,0,0,0|2,0,1]=4 5728 B10R0.108 CCNC(=O)CCC(=O)CC 1458a_100000199579_100000210202 [0,1,0,0,0,0|1,0,1]=3 5729 B10R0.108 CCNC(=O)CCC(=O)CF 1458a_100000199579_100015361967 [0,1,0,0,0,0|2,0,1]=4 5730 B10R0.108 CCNC(=O)CCC(=O)NC 11a_100015525214_100011309844 [0,1,0,0,0,0|2,0,1]=4 5731 B10R0.108 CCNC(=O)CCC(=O)NC 11a_106832991635_100000199579 [0,1,0,0,0,0|2,0,1]=4 5732 B10R0.108 CCNC(=O)CCC(=O)NC 1626a_100102657272_100000199579 [0,1,0,0,0,0|2,0,1]=4 5733 B10R0.108 CCNC(=O)CCC(=O)NC 240690a_100015525214_100011309844 [0,1,0,0,0,0|2,0,1]=4 5734 B10R0.108 CCNC(=O)CCC(=O)NC 240690a_100102657272_100000199579 [0,1,0,0,0,0|2,0,1]=4 5735 B10R0.108 CCNC(=O)CCC(=O)NC 527a_100015525214_100011309844 [0,1,0,0,0,0|2,0,1]=4 5736 B10R0.108 CCNC(=O)CCC(=O)OC 11a_100015525214_100000187943 [0,1,0,0,0,0|2,0,1]=4 5737 B10R0.108 CCNC(=O)CCC(=O)OC 240690a_100015525214_100000187943 [0,1,0,0,0,0|2,0,1]=4 5738 B10R0.108 CCNC(=O)CCC(=O)OC 527a_100015525214_100000187943 [0,1,0,0,0,0|2,0,1]=4 5739 B10R0.108 CCNC(=O)CCS(=O)CC 11a_100015525214_100011387550 [0,1,0,0,0,0|2,0,1]=4 5740 B10R0.108 CCNC(=O)CCS(=O)CC 240690a_100015525214_100011387550 [0,1,0,0,0,0|2,0,1]=4 5741 B10R0.108 CCNC(=O)CCS(=O)CC 527a_100015525214_100011387550 [0,1,0,0,0,0|2,0,1]=4 5742 B10R0.108 CCNC(=O)CNC(=O)CC 11a_100015525214_100000194589 [0,1,0,0,0,0|2,0,1]=4 5743 B10R0.108 CCNC(=O)CNC(=O)CC 11a_100016988866_100000210414 [0,1,0,0,0,0|2,0,1]=4 5744 B10R0.108 CCNC(=O)CNC(=O)CC 1626a_100016988866_100000210414 [0,1,0,0,0,0|2,0,1]=4 5745 B10R0.108 CCNC(=O)CNC(=O)CC 240690a_100015525214_100000194589 [0,1,0,0,0,0|2,0,1]=4 5746 B10R0.108 CCNC(=O)CNC(=O)CC 240690a_100016988866_100000210414 [0,1,0,0,0,0|2,0,1]=4 5747 B10R0.108 CCNC(=O)CNC(=O)CC 527a_100015525214_100000194589 [0,1,0,0,0,0|2,0,1]=4 5748 B10R0.108 CCNC(=O)CNC(=O)CC 527a_100016988866_100000210414 [0,1,0,0,0,0|2,0,1]=4 5749 B10R0.108 CCOC(=O)CCC(=O)CC 1458a_100000183558_100000210202 [0,1,0,0,0,0|1,0,1]=3 5750 B10R0.108 CCOC(=O)CCC(=O)CF 1458a_100000183558_100015361967 [0,1,0,0,0,0|2,0,1]=4 5751 B10R0.108 CCOC(=O)CCC(=O)NC 11a_106832991635_100000183558 [0,1,0,0,0,0|2,0,1]=4 5752 B10R0.108 CCOC(=O)CCC(=O)NC 1626a_100102657272_100000183558 [0,1,0,0,0,0|2,0,1]=4 5753 B10R0.108 CCOC(=O)CCC(=O)NC 240690a_100102657272_100000183558 [0,1,0,0,0,0|2,0,1]=4 5754 B10R0.108 CCOC(=O)CNC(=O)CC 188690a_100000741813_100000210414 [0,1,0,0,0,0|2,0,1]=4 5755 B10R0.108 CCOC(=O)NCC(=O)CC 1458a_100000190774_100000210202 [0,1,0,0,0,0|2,0,1]=4 5756 B10R0.108 CCOC(C)CCC(C)CC 7a_200011216552_100000210202 [0,1,0,0,0,0|2,0,1]=4 5757 B10R0.108 CCS(=O)CCC(=O)CCF 1458a_100011387550_100011217306 [0,1,0,0,0,0|2,0,1]=4 5758 B10R0.108 CCS(=O)CCC(=O)CCO 1458a_100011387550_100000211926 [0,1,0,0,0,0|2,0,1]=4 5759 B10R0.108 CNC(=O)CCC(=O)CCF 1458a_100011309844_100011217306 [0,1,0,0,0,0|2,0,1]=4 5760 B10R0.108 CNC(=O)CCC(=O)CCO 1458a_100011309844_100000211926 [0,1,0,0,0,0|2,0,1]=4 5761 B10R0.108 CNC(=O)CCN(C)CCF 2230a_100000750875_100011217306 [0,1,0,0,0,0|3,0,0]=4 5762 B10R0.108 CNC(=O)CCN(C)CCF 269982a_100000750875_100011217306 [0,1,0,0,0,0|3,0,0]=4 5763 B10R0.108 CNC(=O)CCN(C)CCO 2230a_100000210263_100000737683 [0,1,0,0,0,0|3,0,0]=4 5764 B10R0.108 CNC(=O)CCN(C)CCO 2230a_100000750875_100000211926 [0,1,0,0,0,0|3,0,0]=4 5765 B10R0.108 CNC(=O)CCN(C)CCO 269982a_100000210263_100000737683 [0,1,0,0,0,0|3,0,0]=4 5766 B10R0.108 CNC(=O)CCN(C)CCO 269982a_100000750875_100000211926 [0,1,0,0,0,0|3,0,0]=4 5767 B10R0.108 CNC(=O)CCN(C)COC 2230a_100000750875_100000766300 [0,1,0,0,0,0|3,0,0]=4 5768 B10R0.108 CNC(=O)CCN(C)COC 269982a_100000750875_100000766300 [0,1,0,0,0,0|3,0,0]=4 5769 B10R0.108 CNC(=O)CCN(C)CSC 2230a_100000750875_100011218213 [0,1,0,0,0,0|3,0,0]=4 5770 B10R0.108 CNC(=O)CCN(C)CSC 269982a_100000750875_100011218213 [0,1,0,0,0,0|3,0,0]=4 5771 B10R0.108 CNC(=O)CNC(C)CCO 2230a_100000693194_100009893172 [0,1,0,0,0,0|3,0,0]=4 5772 B10R0.108 CNC(=O)CNC(C)COC 2230a_100000693194_100000765312 [0,1,0,0,0,0|3,0,0]=4 5773 B10R0.108 CNC(=O)CNC(C)COC 270004a_100000693194_100000749346 [0,1,0,0,0,0|3,0,0]=4 5774 B10R0.108 CNC(=O)CNC(C)CSC 270004a_100000693194_100011216314 [0,1,0,0,0,0|3,0,0]=4 5775 B10R0.108 CNC(=O)CN[C@H](C)CCO 2230a_100000706166_100000183359 [0,1,0,0,0,0|3,0,0]=4 5776 B10R0.108 CNC(=O)CN[C@H](C)CCO 34a_100000706166_100000183359 [0,1,0,0,0,0|3,0,0]=4 5777 B10R0.108 CNC(=O)CN[C@H](C)COC 2230a_100000764878_100000183359 [0,1,0,0,0,0|3,0,0]=4 5778 B10R0.108 CNC(=O)COC(C)CCBr 34a_100012276601_100000183359 [0,1,0,0,0,0|3,0,0]=4 5779 B10R0.108 CNC(=O)COC(C)CCO 34a_100000750040_100009893172 [0,1,0,0,0,0|3,0,0]=4 5780 B10R0.108 CNC(=O)COC(C)COC 34a_100000750040_100000765312 [0,1,0,0,0,0|3,0,0]=4 5781 B10R0.108 CNC(=O)CO[C@H](C)COC 34a_100011934205_100000183359 [0,1,0,0,0,0|3,0,0]=4 5782 B10R0.108 CNC(=O)CSC(C)CCO 62a_100000183359_100009893172 [0,1,0,0,0,0|3,0,0]=4 5783 B10R0.108 CNC(=O)CSC(C)CCO 62a_100009893172_100000183359 [0,1,0,0,0,0|3,0,0]=4 5784 B10R0.108 CNC(=O)CSC(C)COC 62a_100000183359_100000765312 [0,1,0,0,0,0|3,0,0]=4 5785 B10R0.108 CNC(=O)CSC(C)COC 62a_100000765312_100000183359 [0,1,0,0,0,0|3,0,0]=4 5786 B10R0.108 CNC(=O)NCC(O)COC 2708a_100102657272_100000756049 [0,1,0,0,0,0|3,0,0]=4 5787 B10R0.108 CNC(=O)NCC(O)COC 273464a_100000756049_100102657272 [0,1,0,0,0,0|3,0,0]=4 5788 B10R0.108 CNC(=O)NCC(O)COC 273464a_100102657272_100000756049 [0,1,0,0,0,0|3,0,0]=4 5789 B10R0.108 CNC(=O)NCC(O)COC 512a_100000756049_100102657272 [0,1,0,0,0,0|3,0,0]=4 5790 B10R0.108 CNC(=O)NCC(O)COC 512a_106832991638_100000756049 [0,1,0,0,0,0|3,0,0]=4 5791 B10R0.108 CNCC(=O)CCC(=O)OC 2230a_106832991635_100000691467 [0,1,0,0,0,0|2,0,1]=4 5792 B10R0.108 CNCC(=O)CCC(=O)OC 34a_100102657272_100000691467 [0,1,0,0,0,0|2,0,1]=4 5793 B10R0.108 CNCC(=O)CCC(=O)OC 7a_106832991635_100000691467 [0,1,0,0,0,0|2,0,1]=4 5794 B10R0.108 COC(=O)CCC(=O)CCF 1458a_100000187943_100011217306 [0,1,0,0,0,0|2,0,1]=4 5795 B10R0.108 COC(=O)CCC(=O)CCO 1458a_100000187943_100000211926 [0,1,0,0,0,0|2,0,1]=4 5796 B10R0.108 COC(=O)CCC(=O)CSC 62a_100000691467_200000210301 [0,1,0,0,0,0|2,0,1]=4 5797 B10R0.108 COC(=O)CCC(=O)CSC 62a_200000210301_100000691467 [0,1,0,0,0,0|2,0,1]=4 5798 B10R0.108 COC(=O)CCC(=O)CS[13CH3] 62a_100000691467_200025704644 [0,1,0,0,0,0|2,0,1]=4 5799 B10R0.108 COC(=O)CCC(=O)CS[13CH3] 62a_200025704644_100000691467 [0,1,0,0,0,0|2,0,1]=4 5800 B10R0.108 COC(=O)CCN(C)CCF 269982a_100025711912_100011217306 [0,1,0,0,0,0|3,0,0]=4 5801 B10R0.108 COC(=O)CCN(C)CCO 2230a_100000210263_100000204255 [0,1,0,0,0,0|3,0,0]=4 5802 B10R0.108 COC(=O)CCN(C)CCO 269982a_100000210263_100000204255 [0,1,0,0,0,0|3,0,0]=4 5803 B10R0.108 COC(=O)CCN(C)CCO 269982a_100025711912_100000211926 [0,1,0,0,0,0|3,0,0]=4 5804 B10R0.108 COC(=O)CCN(C)CSC 269982a_100025711912_100011218213 [0,1,0,0,0,0|3,0,0]=4 5805 B10R0.108 COC(=O)CN[C@H](C)CCO 2230a_100000706166_100000747449 [0,1,0,0,0,0|3,0,0]=4 5806 B10R0.108 COC(=O)CN[C@H](C)CCO 34a_100000706166_100000747449 [0,1,0,0,0,0|3,0,0]=4 5807 B10R0.108 COC(=O)COC(C)CCBr 34a_100012276601_100000747449 [0,1,0,0,0,0|3,0,0]=4 5808 B10R0.108 COC(=O)CSC(C)CCO 62a_100000747449_100009893172 [0,1,0,0,0,0|3,0,0]=4 5809 B10R0.108 COC(=O)CSC(C)CCO 62a_100009893172_100000747449 [0,1,0,0,0,0|3,0,0]=4 5810 B10R0.108 COCC(=O)CCC(=O)OC 34a_100138415774_100000691467 [0,1,0,0,0,0|2,0,1]=4 5811 B10R0.108 COCC(C)SCC(=O)OC 62a_100000747449_100000765312 [0,1,0,0,0,0|3,0,0]=4 5812 B10R0.108 COCC(C)SCC(=O)OC 62a_100000765312_100000747449 [0,1,0,0,0,0|3,0,0]=4 5813 B10R0.108 COCC(O)CNC(=O)CO 240690a_100000756049_100000210174 [0,1,0,0,0,0|3,0,0]=4 5814 B10R0.108 COCC(O)CNC(=O)CO 527a_100000756049_100000210174 [0,1,0,0,0,0|3,0,0]=4 5815 B10R0.108 COCN(C)CCC(=O)OC 269982a_100025711912_100000766300 [0,1,0,0,0,0|3,0,0]=4 5816 B10R0.108 COC[C@@H](C)NCC(=O)OC 2230a_100000764878_100000747449 [0,1,0,0,0,0|3,0,0]=4 5817 B10R0.108 COC[C@@H](C)OCC(=O)OC 34a_100011934205_100000747449 [0,1,0,0,0,0|3,0,0]=4 5818 B10R1.1 C=C1CCC(CC1)COC 34a_100000074039_200000210301 [0,0,0,1,0,0|2,0,0]=3 5819 B10R1.1 C=C1CCC(CC1)CO[13CH3] 34a_100000074039_200025704644 [0,0,0,1,0,0|2,0,0]=3 5820 B10R1.1 C=C1CCC(CC1)NCC 270004a_100015525214_100010272673 [0,0,0,1,0,0|2,0,0]=3 5821 B10R1.1 C=C1CCN(CC1)CCC 2230a_100000752442_100000210303 [0,0,0,1,0,0|2,0,0]=3 5822 B10R1.1 C=C1CCN(CC1)CCC 269982a_100000752442_100000210303 [0,0,0,1,0,0|2,0,0]=3 5823 B10R1.1 C=C1CCN(CC1)CCC 34a_100000752442_100000210303 [0,0,0,1,0,0|2,0,0]=3 5824 B10R1.1 C=C1CCN(CC1)CCF 2230a_100000752442_100011217306 [0,0,0,1,0,0|3,0,0]=4 5825 B10R1.1 C=C1CCN(CC1)CCF 269982a_100000752442_100011217306 [0,0,0,1,0,0|3,0,0]=4 5826 B10R1.1 C=C1CCN(CC1)CCF 34a_100000752442_100011217306 [0,0,0,1,0,0|3,0,0]=4 5827 B10R1.1 C=C1CCN(CC1)CCO 2230a_100000752442_100000211926 [0,0,0,1,0,0|3,0,0]=4 5828 B10R1.1 C=C1CCN(CC1)CCO 269982a_100000752442_100000211926 [0,0,0,1,0,0|3,0,0]=4 5829 B10R1.1 C=C1CCN(CC1)CCO 34a_100000752442_100000211926 [0,0,0,1,0,0|3,0,0]=4 5830 B10R1.1 C=C1CCN(CC1)COC 2230a_100000752442_100000766300 [0,0,0,1,0,0|3,0,0]=4 5831 B10R1.1 C=C1CCN(CC1)COC 269982a_100000752442_100000766300 [0,0,0,1,0,0|3,0,0]=4 5832 B10R1.1 C=C1CCN(CC1)CSC 2230a_100000752442_100011218213 [0,0,0,1,0,0|3,0,0]=4 5833 B10R1.1 C=C1CCN(CC1)CSC 269982a_100000752442_100011218213 [0,0,0,1,0,0|3,0,0]=4 5834 B10R1.1 C=C1CCN(CC1)CSC 34a_100000752442_100011218213 [0,0,0,1,0,0|3,0,0]=4 5835 B10R1.1 CC1CCC(CC1)CN[13CH3] 2230a_103436935547_200025704644 [0,0,0,1,0,0|2,0,1]=4 5836 B10R1.1 CC1CCC(CC1)CN[13CH3] 34a_103436935547_200025704644 [0,0,0,1,0,0|2,0,1]=4 5837 B10R1.1 CC1CCC(CC1)CO[13CH3] 34a_100000701341_200025704644 [0,0,0,1,0,0|2,0,1]=4 5838 B10R1.1 CCCC1CCN(CC1)C 2230a_100015355601_200000210301 [0,0,0,1,0,0|2,0,0]=3 5839 B10R1.1 CCCC1CCN(CC1)C 269982a_100015355601_200000210301 [0,0,0,1,0,0|2,0,0]=3 5840 B10R1.1 CCCC1CCN(CC1)C 34a_100015355601_200000210301 [0,0,0,1,0,0|2,0,0]=3 5841 B10R1.1 CCCC1CCN(CC1)[13CH3] 2230a_100015355601_200025704644 [0,0,0,1,0,0|2,0,0]=3 5842 B10R1.1 CCCC1CCN(CC1)[13CH3] 269982a_100015355601_200025704644 [0,0,0,1,0,0|2,0,0]=3 5843 B10R1.1 CCCC1CCN(CC1)[13CH3] 34a_100015355601_200025704644 [0,0,0,1,0,0|2,0,0]=3 5844 B10R1.1 CCCN1CC=C(CC1)C 2230a_100000693516_100000210303 [0,0,0,1,0,0|2,0,1]=4 5845 B10R1.1 CCCN1CC=C(CC1)C 269982a_100000693516_100000210303 [0,0,0,1,0,0|2,0,1]=4 5846 B10R1.1 CCCN1CC=C(CC1)C 34a_100000693516_100000210303 [0,0,0,1,0,0|2,0,1]=4 5847 B10R1.1 CCCN1CCC(CC1)C 2230a_100000188429_100000210303 [0,0,0,1,0,0|2,0,1]=4 5848 B10R1.1 CCCN1CCC(CC1)C 269982a_100000188429_100000210303 [0,0,0,1,0,0|2,0,1]=4 5849 B10R1.1 CCCN1CCC(CC1)C 34a_100000188429_100000210303 [0,0,0,1,0,0|2,0,1]=4 5850 B10R1.1 CCCN1CCC(CC1)F 2230a_100015193889_100000210303 [0,0,0,1,0,0|2,0,1]=4 5851 B10R1.1 CCCN1CCC(CC1)F 269982a_100015193889_100000210303 [0,0,0,1,0,0|2,0,1]=4 5852 B10R1.1 CCCN1CCC(CC1)F 34a_100015193889_100000210303 [0,0,0,1,0,0|2,0,1]=4 5853 B10R1.1 CCCN1CCC(CC1)O 2230a_100025773856_100000210303 [0,0,0,1,0,0|1,0,2]=4 5854 B10R1.1 CCCN1CCC(CC1)O 269982a_100025773856_100000210303 [0,0,0,1,0,0|1,0,2]=4 5855 B10R1.1 CCCN1CCN(CC1)C 2230a_100000188432_100000210303 [0,0,0,1,0,0|3,0,0]=4 5856 B10R1.1 CCCN1CCN(CC1)C 2230a_100016989359_200000210301 [0,0,0,1,0,0|3,0,0]=4 5857 B10R1.1 CCCN1CCN(CC1)C 269982a_100000188432_100000210303 [0,0,0,1,0,0|3,0,0]=4 5858 B10R1.1 CCCN1CCN(CC1)C 269982a_100016989359_200000210301 [0,0,0,1,0,0|3,0,0]=4 5859 B10R1.1 CCCN1CCN(CC1)[13CH3] 2230a_100016989359_200025704644 [0,0,0,1,0,0|3,0,0]=4 5860 B10R1.1 CCCN1CCN(CC1)[13CH3] 269982a_100016989359_200025704644 [0,0,0,1,0,0|3,0,0]=4 5861 B10R1.1 CCCN1CCS(=O)CC1 2230a_100000752083_100000210303 [0,0,0,1,0,0|2,0,0]=3 5862 B10R1.1 CCCN1CCS(=O)CC1 269982a_100000752083_100000210303 [0,0,0,1,0,0|2,0,0]=3 5863 B10R1.1 CCNC1CCC(=O)NC1 2230a_100000748762_100000210202 [0,0,0,1,0,0|2,0,0]=3 5864 B10R1.1 CCNC1CCC(=O)NC1 34a_100000748762_100000210202 [0,0,0,1,0,0|2,0,0]=3 5865 B10R1.1 CCNC1CCC(CC1)C 270004a_100015525214_100000185489 [0,0,0,1,0,0|2,0,1]=4 5866 B10R1.1 CCNC1CCC(CC1)O 270004a_100015525214_100000764474 [0,0,0,1,0,0|1,0,2]=4 5867 B10R1.1 CCNC1CCN(CC1)C 270004a_100015525214_100000210137 [0,0,0,1,0,0|3,0,0]=4 5868 B10R1.1 CCN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100000210202 [0,0,0,1,0,0|2,0,1]=4 5869 B10R1.1 CCN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100000210202 [0,0,0,1,0,0|2,0,1]=4 5870 B10R1.1 CCOC1CCC(=O)CC1 34a_100000764474_100000210202 [0,0,0,1,0,0|1,0,0]=2 5871 B10R1.1 CCOC1CCC(=O)CC1 7a_100000764474_100000210202 [0,0,0,1,0,0|1,0,0]=2 5872 B10R1.1 CCOC1CCC(=O)NC1 34a_100000079199_100000210202 [0,0,0,1,0,0|2,0,0]=3 5873 B10R1.1 CCOC1CCC(CC1)C 34a_100000210714_100000210202 [0,0,0,1,0,0|2,0,1]=4 5874 B10R1.1 CCOC1CCC(CC1)C 34a_100121572206_200011216234 [0,0,0,1,0,0|2,0,1]=4 5875 B10R1.1 CCOC1CCC(CC1)C 7a_100000210714_100000210202 [0,0,0,1,0,0|2,0,1]=4 5876 B10R1.1 CCOC1CCN(CC1)C 2230a_100016990603_200000210301 [0,0,0,1,0,0|3,0,0]=4 5877 B10R1.1 CCOC1CCN(CC1)C 269982a_100016990603_200000210301 [0,0,0,1,0,0|3,0,0]=4 5878 B10R1.1 CCOC1CCN(CC1)C 34a_100016990603_200000210301 [0,0,0,1,0,0|3,0,0]=4 5879 B10R1.1 CCOC1CCN(CC1)[13CH3] 2230a_100016990603_200025704644 [0,0,0,1,0,0|3,0,0]=4 5880 B10R1.1 CCOC1CCN(CC1)[13CH3] 269982a_100016990603_200025704644 [0,0,0,1,0,0|3,0,0]=4 5881 B10R1.1 CCOC1CCN(CC1)[13CH3] 34a_100016990603_200025704644 [0,0,0,1,0,0|3,0,0]=4 5882 B10R1.1 CCOC1CNC(=O)NC1 34a_100000080929_100000210202 [0,0,0,1,0,0|3,0,0]=4 5883 B10R1.1 CCO[C@H]1CC[C@H](CC1)N 34a_100020628982_100000210202 [0,0,0,1,0,0|2,0,1]=4 5884 B10R1.1 CCSC1CCC(CC1)C 62a_100000210202_200011216234 [0,0,0,1,0,0|2,0,1]=4 5885 B10R1.1 CCSC1CCN(CC1)C 62a_100000210202_100011215917 [0,0,0,1,0,0|3,0,0]=4 5886 B10R1.1 CN1CCC(CC1)CCO 2230a_100015190746_200000210301 [0,0,0,1,0,0|3,0,0]=4 5887 B10R1.1 CN1CCC(CC1)CCO 269982a_100015190746_200000210301 [0,0,0,1,0,0|3,0,0]=4 5888 B10R1.1 CN1CCC(CC1)CCO 34a_100015190746_200000210301 [0,0,0,1,0,0|3,0,0]=4 5889 B10R1.1 CN1CCC(CC1)CS[13CH3] 62a_100015183002_200025704644 [0,0,0,1,0,0|3,0,0]=4 5890 B10R1.1 CN1CCC(CC1)CS[13CH3] 62a_200025704644_100015183002 [0,0,0,1,0,0|3,0,0]=4 5891 B10R1.1 CNCC1CCC(CC1)C 2230a_103436935547_200000210301 [0,0,0,1,0,0|2,0,1]=4 5892 B10R1.1 CNCC1CCC(CC1)C 34a_103436935547_200000210301 [0,0,0,1,0,0|2,0,1]=4 5893 B10R1.1 COCC1CCC(=O)CC1 34a_100000062911_200000210301 [0,0,0,1,0,0|1,0,0]=2 5894 B10R1.1 COCC1CCC(CC1)C 34a_100000701341_200000210301 [0,0,0,1,0,0|2,0,1]=4 5895 B10R1.1 COCC1CCN(CC1)C 2230a_100000755097_200000210301 [0,0,0,1,0,0|3,0,0]=4 5896 B10R1.1 COCC1CCN(CC1)C 269982a_100000755097_200000210301 [0,0,0,1,0,0|3,0,0]=4 5897 B10R1.1 COCC1CCN(CC1)C 34a_100000755097_200000210301 [0,0,0,1,0,0|3,0,0]=4 5898 B10R1.1 COCC1CCN(CC1)[13CH3] 2230a_100000755097_200025704644 [0,0,0,1,0,0|3,0,0]=4 5899 B10R1.1 COCC1CCN(CC1)[13CH3] 269982a_100000755097_200025704644 [0,0,0,1,0,0|3,0,0]=4 5900 B10R1.1 COCC1CCN(CC1)[13CH3] 34a_100000755097_200025704644 [0,0,0,1,0,0|3,0,0]=4 5901 B10R1.1 COCN1CCS(=O)CC1 2230a_100000752083_100000766300 [0,0,0,1,0,0|3,0,0]=4 5902 B10R1.1 COCN1CCS(=O)CC1 269982a_100000752083_100000766300 [0,0,0,1,0,0|3,0,0]=4 5903 B10R1.1 COC[C@H]1CC[C@@H](CC1)N 34a_100009821084_200000210301 [0,0,0,1,0,0|2,0,1]=4 5904 B10R1.1 CSCC1CCN(CC1)C 2230a_100015187637_200000210301 [0,0,0,1,0,0|3,0,0]=4 5905 B10R1.1 CSCC1CCN(CC1)C 269982a_100015187637_200000210301 [0,0,0,1,0,0|3,0,0]=4 5906 B10R1.1 CSCC1CCN(CC1)C 34a_100015187637_200000210301 [0,0,0,1,0,0|3,0,0]=4 5907 B10R1.1 CSCC1CCN(CC1)C 62a_100015183002_200000210301 [0,0,0,1,0,0|3,0,0]=4 5908 B10R1.1 CSCC1CCN(CC1)C 62a_200000210301_100015183002 [0,0,0,1,0,0|3,0,0]=4 5909 B10R1.1 CSCC1CCN(CC1)[13CH3] 2230a_100015187637_200025704644 [0,0,0,1,0,0|3,0,0]=4 5910 B10R1.1 CSCC1CCN(CC1)[13CH3] 269982a_100015187637_200025704644 [0,0,0,1,0,0|3,0,0]=4 5911 B10R1.1 CSCC1CCN(CC1)[13CH3] 34a_100015187637_200025704644 [0,0,0,1,0,0|3,0,0]=4 5912 B10R1.1 CSCN1CCS(=O)CC1 2230a_100000752083_100011218213 [0,0,0,1,0,0|3,0,0]=4 5913 B10R1.1 CSCN1CCS(=O)CC1 269982a_100000752083_100011218213 [0,0,0,1,0,0|3,0,0]=4 5914 B10R1.1 O=C1CCC(CC1)OCF 34a_100000764474_100015361967 [0,0,0,1,0,0|2,0,0]=3 5915 B10R1.1 O=C1CCC(CC1)OCF 7a_100000764474_100015361967 [0,0,0,1,0,0|2,0,0]=3 5916 B10R1.1 O=C1CCC(CN1)NCF 34a_100000748762_100015361967 [0,0,0,1,0,0|3,0,0]=4 5917 B10R1.1 O=C1CCC(CN1)OCF 34a_100000079199_100015361967 [0,0,0,1,0,0|3,0,0]=4 5918 B10R1.1 O=S1CCN(CC1)CCF 2230a_100000752083_100011217306 [0,0,0,1,0,0|3,0,0]=4 5919 B10R1.1 O=S1CCN(CC1)CCF 269982a_100000752083_100011217306 [0,0,0,1,0,0|3,0,0]=4 5920 B10R1.1 O=S1CCN(CC1)CCO 2230a_100000752083_100000211926 [0,0,0,1,0,0|3,0,0]=4 5921 B10R1.1 O=S1CCN(CC1)CCO 269982a_100000752083_100000211926 [0,0,0,1,0,0|3,0,0]=4 5922 B10R1.1 [13CH3]N1CCC(CC1)CCO 2230a_100015190746_200025704644 [0,0,0,1,0,0|3,0,0]=4 5923 B10R1.1 [13CH3]N1CCC(CC1)CCO 269982a_100015190746_200025704644 [0,0,0,1,0,0|3,0,0]=4 5924 B10R1.1 [13CH3]N1CCC(CC1)CCO 34a_100015190746_200025704644 [0,0,0,1,0,0|3,0,0]=4 5925 B10R1.1 [13CH3]OCC1CCC(=O)CC1 34a_100000062911_200025704644 [0,0,0,1,0,0|1,0,0]=2 5926 B10R1.1 [13CH3]OC[C@H]1CC[C@@H](CC1)N 34a_100009821084_200025704644 [0,0,0,1,0,0|2,0,1]=4 5927 B10R1.2 CC1C(=O)NCCN1CF 269982a_100000750721_100015361967 [0,0,0,1,0,0|3,0,0]=4 5928 B10R1.2 CC1C(=O)NCCN1CF 34a_100000750721_100015361967 [0,0,0,1,0,0|3,0,0]=4 5929 B10R1.2 CC1CCCC(C1C)N[13CH3] 2230a_100000211273_200025704644 [0,0,0,1,0,0|2,0,1]=4 5930 B10R1.2 CC1CCCC(C1C)N[13CH3] 34a_100000211273_200025704644 [0,0,0,1,0,0|2,0,1]=4 5931 B10R1.2 CC1CCCC(C1C)O[13CH3] 34a_100011217532_200025704644 [0,0,0,1,0,0|2,0,1]=4 5932 B10R1.2 CC1CCCC(C1C)O[13CH3] 7a_100011217532_200025704644 [0,0,0,1,0,0|2,0,1]=4 5933 B10R1.2 CCN1CCNC(=O)C1C 2230a_100000750721_100000210202 [0,0,0,1,0,0|2,0,0]=3 5934 B10R1.2 CCN1CCNC(=O)C1C 269982a_100000750721_100000204670 [0,0,0,1,0,0|2,0,0]=3 5935 B10R1.2 CCN1CCNC(=O)C1C 34a_100000750721_100000210202 [0,0,0,1,0,0|2,0,0]=3 5936 B10R1.2 CNC1CCCC(C1C)C 2230a_100000211273_200000210301 [0,0,0,1,0,0|2,0,1]=4 5937 B10R1.2 CNC1CCCC(C1C)C 34a_100000211273_200000210301 [0,0,0,1,0,0|2,0,1]=4 5938 B10R1.2 COC1CCCC(C1C)C 34a_100011217532_200000210301 [0,0,0,1,0,0|2,0,1]=4 5939 B10R1.2 COC1CCCC(C1C)C 7a_100011217532_200000210301 [0,0,0,1,0,0|2,0,1]=4 5940 B10R1.15 C#CC(=O)C1CCCCC1 1458a_100000211873_100000210327 [0,0,0,1,0,0|0,0,2]=3 5941 B10R1.15 C#CC(=O)C1CCCOC1 1458a_100000211873_100000693364 [0,0,0,1,0,0|1,0,2]=4 5942 B10R1.15 C#CC(=O)C1CCOCC1 1458a_100000211873_100011324220 [0,0,0,1,0,0|1,0,2]=4 5943 B10R1.15 C=CC(=O)C1CCCCC1 1458a_100000185746_100000210327 [0,0,0,1,0,0|0,0,2]=3 5944 B10R1.15 C=CC(=O)C1CCCOC1 1458a_100000185746_100000693364 [0,0,0,1,0,0|1,0,2]=4 5945 B10R1.15 C=CC(=O)C1CCOCC1 1458a_100000185746_100011324220 [0,0,0,1,0,0|1,0,2]=4 5946 B10R1.15 CC(O[13CH3])C1CCCCC1 34a_100011216961_200025704644 [0,0,0,1,0,0|2,0,1]=4 5947 B10R1.15 CC(O[13CH3])C1CCCCC1 7a_100011216961_200025704644 [0,0,0,1,0,0|2,0,1]=4 5948 B10R1.15 CCC(=O)C1=CCCCC1 1458a_100000765259_100000210202 [0,0,0,1,0,0|0,0,2]=3 5949 B10R1.15 CCC(=O)C1=CCCCO1 1458a_100000764163_100000210202 [0,0,0,1,0,0|1,0,2]=4 5950 B10R1.15 CCC(=O)C1=COCCC1 1458a_100000749935_100000210202 [0,0,0,1,0,0|1,0,2]=4 5951 B10R1.15 CCC(=O)C1C=CCCC1 1458a_100000210414_100000751183 [0,0,0,1,0,0|0,0,2]=3 5952 B10R1.15 CCC(=O)C1CCCCC1 1458a_100000210414_100000210327 [0,0,0,1,0,0|0,0,0]=1 5953 B10R1.15 CCC(=O)C1CCCCC1 1458a_100000210647_100000210202 [0,0,0,1,0,0|0,0,0]=1 5954 B10R1.15 CCC(=O)C1CCCCO1 1458a_100000748299_100000210202 [0,0,0,1,0,0|1,0,0]=2 5955 B10R1.15 CCC(=O)C1CCCOC1 1458a_100000210414_100000693364 [0,0,0,1,0,0|1,0,0]=2 5956 B10R1.15 CCC(=O)C1CCCOC1 1458a_100000741522_100000210202 [0,0,0,1,0,0|1,0,0]=2 5957 B10R1.15 CCC(=O)C1CCOCC1 1458a_100000195482_100000210202 [0,0,0,1,0,0|1,0,0]=2 5958 B10R1.15 CCC(=O)C1CCOCC1 1458a_100000210414_100011324220 [0,0,0,1,0,0|1,0,0]=2 5959 B10R1.15 CCC(=O)C1CCSCC1 1458a_100000755232_100000210202 [0,0,0,1,0,0|1,0,0]=2 5960 B10R1.15 CCC(=O)C1COCCO1 1458a_100000045528_100000210202 [0,0,0,1,0,0|2,0,0]=3 5961 B10R1.15 CCC(=O)C1SCCCS1 1458a_100000028545_100000210202 [0,0,0,1,0,0|2,0,0]=3 5962 B10R1.15 CCC(=O)N1CC=CCC1 11a_100000698166_100000210414 [0,0,0,1,0,0|1,0,2]=4 5963 B10R1.15 CCC(=O)N1CC=CCC1 1626a_100000698166_100000210414 [0,0,0,1,0,0|1,0,2]=4 5964 B10R1.15 CCC(=O)N1CC=CCC1 240690a_100000698166_100000210414 [0,0,0,1,0,0|1,0,2]=4 5965 B10R1.15 CCC(=O)N1CC=CCC1 527a_100000698166_100000210414 [0,0,0,1,0,0|1,0,2]=4 5966 B10R1.15 CCC(=O)N1CCCOC1 11a_100000131196_100000210414 [0,0,0,1,0,0|2,0,0]=3 5967 B10R1.15 CCC(=O)N1CCCOC1 240690a_100000131196_100000210414 [0,0,0,1,0,0|2,0,0]=3 5968 B10R1.15 CCC(=O)N1CCOCC1 11a_100015191051_100000210414 [0,0,0,1,0,0|2,0,0]=3 5969 B10R1.15 CCC(=O)N1CCOCC1 1626a_100015191051_100000210414 [0,0,0,1,0,0|2,0,0]=3 5970 B10R1.15 CCC(=O)N1CCOCC1 240690a_100015191051_100000210414 [0,0,0,1,0,0|2,0,0]=3 5971 B10R1.15 CCC(=O)N1CCOCC1 527a_100015191051_100000210414 [0,0,0,1,0,0|2,0,0]=3 5972 B10R1.15 CCC(=O)N1CCSCC1 11a_100000737611_100000210414 [0,0,0,1,0,0|2,0,0]=3 5973 B10R1.15 CCC(=O)N1CCSCC1 240690a_100000737611_100000210414 [0,0,0,1,0,0|2,0,0]=3 5974 B10R1.15 CCC(=O)N1CCSCC1 527a_100000737611_100000210414 [0,0,0,1,0,0|2,0,0]=3 5975 B10R1.15 CCC(=O)[C@H]1CC=CCC1 1458a_100009820709_100000210202 [0,0,0,1,0,0|0,0,2]=3 5976 B10R1.15 CCN(C)C1CCCCC1 2230a_100000201195_200000210301 [0,0,0,1,0,0|2,0,0]=3 5977 B10R1.15 CCN(C)C1CCCCC1 2230a_100000207522_100000210202 [0,0,0,1,0,0|2,0,0]=3 5978 B10R1.15 CCN(C)C1CCCCC1 269982a_100000201195_200000210301 [0,0,0,1,0,0|2,0,0]=3 5979 B10R1.15 CCN(C)C1CCCCC1 269982a_100000207522_100000204670 [0,0,0,1,0,0|2,0,0]=3 5980 B10R1.15 CCN(C)C1CCCCC1 269982a_100000225621_100000210327 [0,0,0,1,0,0|2,0,0]=3 5981 B10R1.15 CCN(C)C1CCCCC1 34a_100000201195_200000210301 [0,0,0,1,0,0|2,0,0]=3 5982 B10R1.15 CCN(C)C1CCCCC1 34a_100000207522_100000210202 [0,0,0,1,0,0|2,0,0]=3 5983 B10R1.15 CCN(C)C1CCCOC1 269982a_100000225621_100000693364 [0,0,0,1,0,0|3,0,0]=4 5984 B10R1.15 CCN(C)C1CCOCC1 2230a_100011324086_200000210301 [0,0,0,1,0,0|3,0,0]=4 5985 B10R1.15 CCN(C)C1CCOCC1 2230a_100020587155_100000210202 [0,0,0,1,0,0|3,0,0]=4 5986 B10R1.15 CCN(C)C1CCOCC1 269982a_100000225621_100011324220 [0,0,0,1,0,0|3,0,0]=4 5987 B10R1.15 CCN(C)C1CCOCC1 269982a_100011324086_200000210301 [0,0,0,1,0,0|3,0,0]=4 5988 B10R1.15 CCN(C)C1CCOCC1 269982a_100020587155_100000204670 [0,0,0,1,0,0|3,0,0]=4 5989 B10R1.15 CCN(C)C1CCOCC1 34a_100011324086_200000210301 [0,0,0,1,0,0|3,0,0]=4 5990 B10R1.15 CCN(C)C1CCOCC1 34a_100020587155_100000210202 [0,0,0,1,0,0|3,0,0]=4 5991 B10R1.15 CCN(C)C1CCSCC1 2230a_100015184757_100000210202 [0,0,0,1,0,0|3,0,0]=4 5992 B10R1.15 CCN(C)C1CCSCC1 269982a_100000225621_100000069128 [0,0,0,1,0,0|3,0,0]=4 5993 B10R1.15 CCN(C)C1CCSCC1 269982a_100015184757_100000204670 [0,0,0,1,0,0|3,0,0]=4 5994 B10R1.15 CCN(C)C1CCSCC1 34a_100015184757_100000210202 [0,0,0,1,0,0|3,0,0]=4 5995 B10R1.15 CCN([13CH3])C1CCCCC1 2230a_100000201195_200025704644 [0,0,0,1,0,0|2,0,0]=3 5996 B10R1.15 CCN([13CH3])C1CCCCC1 269982a_100000201195_200025704644 [0,0,0,1,0,0|2,0,0]=3 5997 B10R1.15 CCN([13CH3])C1CCCCC1 34a_100000201195_200025704644 [0,0,0,1,0,0|2,0,0]=3 5998 B10R1.15 CCN([13CH3])C1CCOCC1 2230a_100011324086_200025704644 [0,0,0,1,0,0|3,0,0]=4 5999 B10R1.15 CCN([13CH3])C1CCOCC1 269982a_100011324086_200025704644 [0,0,0,1,0,0|3,0,0]=4 6000 B10R1.15 CCN([13CH3])C1CCOCC1 34a_100011324086_200025704644 [0,0,0,1,0,0|3,0,0]=4 6001 B10R1.15 CN(CF)C1CCCCC1 269982a_100000207522_100015361967 [0,0,0,1,0,0|3,0,0]=4 6002 B10R1.15 CN(CF)C1CCCCC1 34a_100000207522_100015361967 [0,0,0,1,0,0|3,0,0]=4 6003 B10R1.15 CNC(=O)C1=CCCCC1 11a_106832991635_100000765259 [0,0,0,1,0,0|1,0,2]=4 6004 B10R1.15 CNC(=O)C1=CCCCC1 1626a_100102657272_100000765259 [0,0,0,1,0,0|1,0,2]=4 6005 B10R1.15 CNC(=O)C1=CCCCC1 240690a_100102657272_100000765259 [0,0,0,1,0,0|1,0,2]=4 6006 B10R1.15 CNC(=O)C1=CCCCC1 527a_100102657272_100000765259 [0,0,0,1,0,0|1,0,2]=4 6007 B10R1.15 CNC(=O)C1CCCCC1 11a_106832991635_100000210647 [0,0,0,1,0,0|1,0,0]=2 6008 B10R1.15 CNC(=O)C1CCCCC1 1626a_100102657272_100000210647 [0,0,0,1,0,0|1,0,0]=2 6009 B10R1.15 CNC(=O)C1CCCCC1 240690a_100102657272_100000210647 [0,0,0,1,0,0|1,0,0]=2 6010 B10R1.15 CNC(=O)C1CCCCC1 527a_100102657272_100000210647 [0,0,0,1,0,0|1,0,0]=2 6011 B10R1.15 CNC(=O)C1CCCCO1 11a_106832991635_100000748299 [0,0,0,1,0,0|2,0,0]=3 6012 B10R1.15 CNC(=O)C1CCCCO1 1626a_100102657272_100000748299 [0,0,0,1,0,0|2,0,0]=3 6013 B10R1.15 CNC(=O)C1CCCCO1 240690a_100102657272_100000748299 [0,0,0,1,0,0|2,0,0]=3 6014 B10R1.15 CNC(=O)C1CCCCO1 527a_100102657272_100000748299 [0,0,0,1,0,0|2,0,0]=3 6015 B10R1.15 CNC(=O)C1CCCOC1 11a_106832991635_100000741522 [0,0,0,1,0,0|2,0,0]=3 6016 B10R1.15 CNC(=O)C1CCCOC1 1626a_100102657272_100000741522 [0,0,0,1,0,0|2,0,0]=3 6017 B10R1.15 CNC(=O)C1CCCOC1 240690a_100102657272_100000741522 [0,0,0,1,0,0|2,0,0]=3 6018 B10R1.15 CNC(=O)C1CCCOC1 527a_100102657272_100000741522 [0,0,0,1,0,0|2,0,0]=3 6019 B10R1.15 CNC(=O)C1CCOCC1 11a_106832991635_100000195482 [0,0,0,1,0,0|2,0,0]=3 6020 B10R1.15 CNC(=O)C1CCOCC1 1626a_100102657272_100000195482 [0,0,0,1,0,0|2,0,0]=3 6021 B10R1.15 CNC(=O)C1CCOCC1 240690a_100102657272_100000195482 [0,0,0,1,0,0|2,0,0]=3 6022 B10R1.15 CNC(=O)C1CCOCC1 527a_100102657272_100000195482 [0,0,0,1,0,0|2,0,0]=3 6023 B10R1.15 CNC(=O)C1CCSCC1 11a_106832991635_100000755232 [0,0,0,1,0,0|2,0,0]=3 6024 B10R1.15 CNC(=O)C1CCSCC1 1626a_100102657272_100000755232 [0,0,0,1,0,0|2,0,0]=3 6025 B10R1.15 CNC(=O)C1CCSCC1 240690a_100102657272_100000755232 [0,0,0,1,0,0|2,0,0]=3 6026 B10R1.15 CNC(=O)C1CCSCC1 527a_100102657272_100000755232 [0,0,0,1,0,0|2,0,0]=3 6027 B10R1.15 CNC(=O)C1COCCO1 11a_106832991635_100000045528 [0,0,0,1,0,0|3,0,0]=4 6028 B10R1.15 CNC(=O)C1COCCO1 1626a_100102657272_100000045528 [0,0,0,1,0,0|3,0,0]=4 6029 B10R1.15 CNC(=O)C1COCCO1 240690a_100102657272_100000045528 [0,0,0,1,0,0|3,0,0]=4 6030 B10R1.15 CNC(=O)C1COCCO1 527a_100102657272_100000045528 [0,0,0,1,0,0|3,0,0]=4 6031 B10R1.15 CNC(=O)C1SCCCS1 11a_106832991635_100000028545 [0,0,0,1,0,0|3,0,0]=4 6032 B10R1.15 CNC(=O)C1SCCCS1 1626a_100102657272_100000028545 [0,0,0,1,0,0|3,0,0]=4 6033 B10R1.15 CNC(=O)C1SCCCS1 240690a_100102657272_100000028545 [0,0,0,1,0,0|3,0,0]=4 6034 B10R1.15 CNC(=O)C1SCCCS1 527a_100102657272_100000028545 [0,0,0,1,0,0|3,0,0]=4 6035 B10R1.15 CNC(=O)N1CCCOC1 2708a_100102657272_100000131196 [0,0,0,1,0,0|3,0,0]=4 6036 B10R1.15 CNC(=O)N1CCCOC1 273464a_100102657272_100000131196 [0,0,0,1,0,0|3,0,0]=4 6037 B10R1.15 CNC(=O)N1CCOCC1 2708a_100102657272_100015191051 [0,0,0,1,0,0|3,0,0]=4 6038 B10R1.15 CNC(=O)N1CCOCC1 273464a_100102657272_100015191051 [0,0,0,1,0,0|3,0,0]=4 6039 B10R1.15 CNC(=O)N1CCSCC1 2708a_100102657272_100000737611 [0,0,0,1,0,0|3,0,0]=4 6040 B10R1.15 CNC(=O)N1CCSCC1 273464a_100102657272_100000737611 [0,0,0,1,0,0|3,0,0]=4 6041 B10R1.15 CNC(=O)[C@H]1CC=CCC1 11a_106832991635_100009820709 [0,0,0,1,0,0|1,0,2]=4 6042 B10R1.15 CNC(=O)[C@H]1CC=CCC1 1626a_100102657272_100009820709 [0,0,0,1,0,0|1,0,2]=4 6043 B10R1.15 CNC(=O)[C@H]1CC=CCC1 240690a_100102657272_100009820709 [0,0,0,1,0,0|1,0,2]=4 6044 B10R1.15 CNC(=O)[C@H]1CC=CCC1 527a_100102657272_100009820709 [0,0,0,1,0,0|1,0,2]=4 6045 B10R1.15 CNC(C)C1CCCCC1 269862a_106832991636_100000210989 [0,0,0,1,0,0|2,0,1]=4 6046 B10R1.15 CN[C@H](C)C1CCCCC1 2230a_100025707633_200000210301 [0,0,0,1,0,0|2,0,1]=4 6047 B10R1.15 CN[C@H](C)C1CCCCC1 34a_100025707633_200000210301 [0,0,0,1,0,0|2,0,1]=4 6048 B10R1.15 COC(C)C1CCCCC1 34a_100011216961_200000210301 [0,0,0,1,0,0|2,0,1]=4 6049 B10R1.15 COC(C)C1CCCCC1 7a_100011216961_200000210301 [0,0,0,1,0,0|2,0,1]=4 6050 B10R1.15 C[C@@H](N[13CH3])C1CCCCC1 2230a_100025707633_200025704644 [0,0,0,1,0,0|2,0,1]=4 6051 B10R1.15 C[C@@H](N[13CH3])C1CCCCC1 34a_100025707633_200025704644 [0,0,0,1,0,0|2,0,1]=4 6052 B10R1.15 O=C(CF)C1=CCCCC1 1458a_100000765259_100015361967 [0,0,0,1,0,0|1,0,2]=4 6053 B10R1.15 O=C(CF)C1CCCCC1 1458a_100000210647_100015361967 [0,0,0,1,0,0|1,0,0]=2 6054 B10R1.15 O=C(CF)C1CCCCO1 1458a_100000748299_100015361967 [0,0,0,1,0,0|2,0,0]=3 6055 B10R1.15 O=C(CF)C1CCCOC1 1458a_100000741522_100015361967 [0,0,0,1,0,0|2,0,0]=3 6056 B10R1.15 O=C(CF)C1CCOCC1 1458a_100000195482_100015361967 [0,0,0,1,0,0|2,0,0]=3 6057 B10R1.15 O=C(CF)C1CCSCC1 1458a_100000755232_100015361967 [0,0,0,1,0,0|2,0,0]=3 6058 B10R1.15 O=C(CF)C1COCCO1 1458a_100000045528_100015361967 [0,0,0,1,0,0|3,0,0]=4 6059 B10R1.15 O=C(CF)C1SCCCS1 1458a_100000028545_100015361967 [0,0,0,1,0,0|3,0,0]=4 6060 B10R1.15 O=C(CF)[C@H]1CC=CCC1 1458a_100009820709_100015361967 [0,0,0,1,0,0|1,0,2]=4 6061 B10R1.15 O=C(CO)C1C=CCCC1 1458a_100000210174_100000751183 [0,0,0,1,0,0|1,0,2]=4 6062 B10R1.15 O=C(CO)C1CCCCC1 1458a_100000210174_100000210327 [0,0,0,1,0,0|1,0,0]=2 6063 B10R1.15 O=C(CO)C1CCCOC1 1458a_100000210174_100000693364 [0,0,0,1,0,0|2,0,0]=3 6064 B10R1.15 O=C(CO)C1CCOCC1 1458a_100000210174_100011324220 [0,0,0,1,0,0|2,0,0]=3 6065 B10R1.15 O=C(CO)N1CCCOC1 240690a_100000131196_100000210174 [0,0,0,1,0,0|3,0,0]=4 6066 B10R1.15 O=C(CO)N1CCOCC1 240690a_100015191051_100000210174 [0,0,0,1,0,0|3,0,0]=4 6067 B10R1.15 O=C(CO)N1CCOCC1 527a_100015191051_100000210174 [0,0,0,1,0,0|3,0,0]=4 6068 B10R1.15 O=C(CO)N1CCSCC1 240690a_100000737611_100000210174 [0,0,0,1,0,0|3,0,0]=4 6069 B10R1.15 O=C(CO)N1CCSCC1 527a_100000737611_100000210174 [0,0,0,1,0,0|3,0,0]=4 6070 B10R1.16 C#CCOC1CCC(=O)C1 34a_100012614533_100000184674 [0,0,0,1,0,0|1,0,2]=4 6071 B10R1.16 C=CCOC1CCC(=O)C1 34a_100012614533_100015514636 [0,0,0,1,0,0|1,0,2]=4 6072 B10R1.16 CCCCN1CCC(C1)O 2230a_100011215560_100000210211 [0,0,0,1,0,0|1,0,2]=4 6073 B10R1.16 CCCCN1CCC(C1)O 269982a_100011215560_100000210211 [0,0,0,1,0,0|1,0,2]=4 6074 B10R1.16 CCCCN1CC[C@@H](C1)F 2230a_100015203821_100000210211 [0,0,0,1,0,0|2,0,1]=4 6075 B10R1.16 CCCCN1CC[C@@H](C1)F 269982a_100015203821_100000210211 [0,0,0,1,0,0|2,0,1]=4 6076 B10R1.16 CCCCN1CC[C@@H](C1)F 34a_100015203821_100000210210 [0,0,0,1,0,0|2,0,1]=4 6077 B10R1.16 CCCCN1CC[C@H](C1)C 2230a_100016987628_100000210211 [0,0,0,1,0,0|2,0,1]=4 6078 B10R1.16 CCCCN1CC[C@H](C1)C 269982a_100016987628_100000210211 [0,0,0,1,0,0|2,0,1]=4 6079 B10R1.16 CCCCN1CC[C@H](C1)C 34a_100016987628_100000210210 [0,0,0,1,0,0|2,0,1]=4 6080 B10R1.16 CCCCN1CNC(=O)C1 2230a_200000708111_100000210211 [0,0,0,1,0,0|2,0,0]=3 6081 B10R1.16 CCCNC1CCC(C1)C 270004a_100020643023_100011215218 [0,0,0,1,0,0|2,0,1]=4 6082 B10R1.16 CCCNC1CCC(C1)O 270004a_100020643023_100012614533 [0,0,0,1,0,0|1,0,2]=4 6083 B10R1.16 CCCNC1CNC(=O)C1 2230a_100000697751_100000210303 [0,0,0,1,0,0|2,0,0]=3 6084 B10R1.16 CCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210303 [0,0,0,1,0,0|1,0,2]=4 6085 B10R1.16 CCCOC1CCC(=O)C1 34a_100012614533_100000210303 [0,0,0,1,0,0|1,0,0]=2 6086 B10R1.16 CCCOC1CCC(C1)C 34a_100000698185_100000210303 [0,0,0,1,0,0|2,0,1]=4 6087 B10R1.16 CCCOC1CNC(=O)C1 34a_100000690082_100000210303 [0,0,0,1,0,0|2,0,0]=3 6088 B10R1.16 CCCOC1COC(=O)O1 34a_100000210258_100000032252 [0,0,0,1,0,0|3,0,0]=4 6089 B10R1.16 CCCSC1CCN(C1)C 62a_100000210303_200012183744 [0,0,0,1,0,0|3,0,0]=4 6090 B10R1.16 CCCSC1COC(=O)O1 62a_100000210303_100000032252 [0,0,0,1,0,0|3,0,0]=4 6091 B10R1.16 CCNCC1CNC(=O)C1 2230a_100016993742_100000210202 [0,0,0,1,0,0|2,0,0]=3 6092 B10R1.16 CCNCC1CNC(=O)C1 34a_100016993742_100000210202 [0,0,0,1,0,0|2,0,0]=3 6093 B10R1.16 CCNCC1CNC(=O)O1 2230a_100015525214_100000181169 [0,0,0,1,0,0|3,0,0]=4 6094 B10R1.16 CCNC[C@@H]1CCC(=O)N1 2230a_100015525214_100015189358 [0,0,0,1,0,0|2,0,0]=3 6095 B10R1.16 CCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210202 [0,0,0,1,0,0|2,0,0]=3 6096 B10R1.16 CCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210202 [0,0,0,1,0,0|2,0,0]=3 6097 B10R1.16 CCNC[C@H]1COC(=O)N1 2230a_100015525214_100015307671 [0,0,0,1,0,0|3,0,0]=4 6098 B10R1.16 CCOCC1CCC(=O)N1 34a_100000737831_100000210202 [0,0,0,1,0,0|2,0,0]=3 6099 B10R1.16 CCOCC1CCN(C1)C 34a_100121572206_200000690779 [0,0,0,1,0,0|3,0,0]=4 6100 B10R1.16 CCOCC1CNC(=O)C1 34a_100016041077_100000210202 [0,0,0,1,0,0|2,0,0]=3 6101 B10R1.16 CCOCC1CNC(=O)O1 34a_100011315639_100000210202 [0,0,0,1,0,0|3,0,0]=4 6102 B10R1.16 CCOCC1CNC(=O)O1 34a_100121572206_100000181169 [0,0,0,1,0,0|3,0,0]=4 6103 B10R1.16 CCOCC1COC(=O)O1 34a_100121572206_100000073702 [0,0,0,1,0,0|3,0,0]=4 6104 B10R1.16 CCOC[C@H]1COC(=O)N1 34a_100121572206_100015307671 [0,0,0,1,0,0|3,0,0]=4 6105 B10R1.16 CCSCC1CCN(C1)C 62a_100000210202_200000690779 [0,0,0,1,0,0|3,0,0]=4 6106 B10R1.16 CCSCC1CCN(C1)C 62a_200000690779_100000210202 [0,0,0,1,0,0|3,0,0]=4 6107 B10R1.16 CCSCC1CNC(=O)O1 62a_100000181169_100000210202 [0,0,0,1,0,0|3,0,0]=4 6108 B10R1.16 CCSCC1CNC(=O)O1 62a_100000210202_100000181169 [0,0,0,1,0,0|3,0,0]=4 6109 B10R1.16 CCSCC1COC(=O)O1 62a_100000073702_100000210202 [0,0,0,1,0,0|3,0,0]=4 6110 B10R1.16 CCSCC1COC(=O)O1 62a_100000210202_100000073702 [0,0,0,1,0,0|3,0,0]=4 6111 B10R1.16 CCSC[C@@H]1CCC(=O)N1 62a_100000210202_100015189358 [0,0,0,1,0,0|2,0,0]=3 6112 B10R1.16 CCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210202 [0,0,0,1,0,0|2,0,0]=3 6113 B10R1.16 CCSC[C@H]1COC(=O)N1 62a_100000210202_100015307671 [0,0,0,1,0,0|3,0,0]=4 6114 B10R1.16 CCSC[C@H]1COC(=O)N1 62a_100015307671_100000210202 [0,0,0,1,0,0|3,0,0]=4 6115 B10R1.16 COCCN1CNC(=O)C1 2230a_200000708111_100011201679 [0,0,0,1,0,0|3,0,0]=4 6116 B10R1.16 COCNC1CNC(=O)C1 2230a_100000697751_100000766300 [0,0,0,1,0,0|3,0,0]=4 6117 B10R1.16 CSCCN1CNC(=O)C1 2230a_200000708111_100000751147 [0,0,0,1,0,0|3,0,0]=4 6118 B10R1.16 CSCNC1CNC(=O)C1 2230a_100000697751_100011218213 [0,0,0,1,0,0|3,0,0]=4 6119 B10R1.16 CSCOC1CCC(=O)C1 34a_100012614533_100011218213 [0,0,0,1,0,0|2,0,0]=3 6120 B10R1.16 CSCOC1CNC(=O)C1 34a_100000690082_100011218213 [0,0,0,1,0,0|3,0,0]=4 6121 B10R1.16 O=C1CC(CN1)CNCF 34a_100016993742_100015361967 [0,0,0,1,0,0|3,0,0]=4 6122 B10R1.16 O=C1CC(CN1)COCF 34a_100016041077_100015361967 [0,0,0,1,0,0|3,0,0]=4 6123 B10R1.16 O=C1CC(CN1)NCCF 2230a_100000697751_100011217306 [0,0,0,1,0,0|3,0,0]=4 6124 B10R1.16 O=C1CC(CN1)NCCO 2230a_100000697751_100000211926 [0,0,0,1,0,0|3,0,0]=4 6125 B10R1.16 O=C1CC(CN1)OCCF 34a_100000690082_100011217306 [0,0,0,1,0,0|3,0,0]=4 6126 B10R1.16 O=C1CC(CN1)OCCO 34a_100000690082_100000211926 [0,0,0,1,0,0|3,0,0]=4 6127 B10R1.16 O=C1CCC(C1)OCCF 34a_100012614533_100011217306 [0,0,0,1,0,0|2,0,0]=3 6128 B10R1.16 O=C1CCC(C1)OCCO 34a_100012614533_100000211926 [0,0,0,1,0,0|2,0,0]=3 6129 B10R1.16 O=C1CCC(N1)COCF 34a_100000737831_100015361967 [0,0,0,1,0,0|3,0,0]=4 6130 B10R1.16 O=C1CC[C@@H](N1)CNCF 34a_100015423886_100015361967 [0,0,0,1,0,0|3,0,0]=4 6131 B10R1.16 O=C1CC[C@H](N1)CSCF 62a_100015189358_100015361967 [0,0,0,1,0,0|3,0,0]=4 6132 B10R1.16 O=C1CC[C@H](N1)CSCF 62a_100015361967_100015189358 [0,0,0,1,0,0|3,0,0]=4 6133 B10R1.16 O=C1CN(CN1)CCCF 2230a_200000708111_100011934791 [0,0,0,1,0,0|3,0,0]=4 6134 B10R1.16 O=C1CN(CN1)CCCO 2230a_200000708111_100000230001 [0,0,0,1,0,0|3,0,0]=4 6135 B10R1.16 O=CCOC1CCC(=O)C1 34a_100012614533_200009817547 [0,0,0,1,0,0|2,0,1]=4 6136 B10R1.27 C#CC(=O)CC1CCCC1 1458a_100000211873_100000740388 [0,0,0,1,0,0|0,0,2]=3 6137 B10R1.27 C#CC(=O)CC1CCCO1 1458a_100000211873_100000203698 [0,0,0,1,0,0|1,0,2]=4 6138 B10R1.27 C#CC(=O)CC1CCOC1 1458a_100000211873_100000702531 [0,0,0,1,0,0|1,0,2]=4 6139 B10R1.27 C=CC(=O)CC1CCCC1 1458a_100000185746_100000740388 [0,0,0,1,0,0|0,0,2]=3 6140 B10R1.27 C=CC(=O)CC1CCCO1 1458a_100000185746_100000203698 [0,0,0,1,0,0|1,0,2]=4 6141 B10R1.27 C=CC(=O)CC1CCOC1 1458a_100000185746_100000702531 [0,0,0,1,0,0|1,0,2]=4 6142 B10R1.27 C=CC(=O)NC1CCCC1 1626a_100000211070_100000185746 [0,0,0,1,0,0|1,0,2]=4 6143 B10R1.27 C=CC(=O)NC1CCCC1 240690a_100000211070_200121576911 [0,0,0,1,0,0|1,0,2]=4 6144 B10R1.27 CCC(=O)C=C1CCCC1 1458a_100000743260_100000210202 [0,0,0,1,0,0|0,0,2]=3 6145 B10R1.27 CCC(=O)CC1=CCCC1 1458a_100000050221_100000210202 [0,0,0,1,0,0|0,0,2]=3 6146 B10R1.27 CCC(=O)CC1C=CCC1 1458a_100000212241_100000210202 [0,0,0,1,0,0|0,0,2]=3 6147 B10R1.27 CCC(=O)CC1CC=CC1 1458a_200000137526_100000210202 [0,0,0,1,0,0|0,0,2]=3 6148 B10R1.27 CCC(=O)CC1CCCC1 1458a_100000210414_100000740388 [0,0,0,1,0,0|0,0,0]=1 6149 B10R1.27 CCC(=O)CC1CCCC1 1458a_100000210891_100000210202 [0,0,0,1,0,0|0,0,0]=1 6150 B10R1.27 CCC(=O)CC1CCCO1 1458a_100000210414_100000203698 [0,0,0,1,0,0|1,0,0]=2 6151 B10R1.27 CCC(=O)CC1CCOC1 1458a_100000210414_100000702531 [0,0,0,1,0,0|1,0,0]=2 6152 B10R1.27 CCC(=O)CC1CCOC1 1458a_100011218419_100000210202 [0,0,0,1,0,0|1,0,0]=2 6153 B10R1.27 CCC(=O)CC1OCCO1 1458a_100000210414_100000755774 [0,0,0,1,0,0|2,0,0]=3 6154 B10R1.27 CCC(=O)CN1CC=CC1 269982a_100015195280_100000747405 [0,0,0,1,0,0|1,0,2]=4 6155 B10R1.27 CCC(=O)CN1CCCC1 1458a_100000740243_100000210202 [0,0,0,1,0,0|1,0,0]=2 6156 B10R1.27 CCC(=O)CN1CCCC1 269982a_100000188435_100000747405 [0,0,0,1,0,0|1,0,0]=2 6157 B10R1.27 CCC(=O)CN1CCSC1 269982a_100011215254_100000747405 [0,0,0,1,0,0|2,0,0]=3 6158 B10R1.27 CCC(=O)NC1CC=CC1 11a_100015188752_100000210414 [0,0,0,1,0,0|1,0,2]=4 6159 B10R1.27 CCC(=O)NC1CC=CC1 1626a_100015188752_100000210414 [0,0,0,1,0,0|1,0,2]=4 6160 B10R1.27 CCC(=O)NC1CC=CC1 240690a_100015188752_100000210414 [0,0,0,1,0,0|1,0,2]=4 6161 B10R1.27 CCC(=O)NC1CC=CC1 527a_100015188752_100000210414 [0,0,0,1,0,0|1,0,2]=4 6162 B10R1.27 CCC(=O)NC1CCCC1 11a_100000211070_100000210414 [0,0,0,1,0,0|1,0,0]=2 6163 B10R1.27 CCC(=O)NC1CCCC1 1626a_100000211070_100000210414 [0,0,0,1,0,0|1,0,0]=2 6164 B10R1.27 CCC(=O)NC1CCCC1 240690a_100000211070_100000210414 [0,0,0,1,0,0|1,0,0]=2 6165 B10R1.27 CCC(=O)NC1CCCC1 527a_100000211070_100000210414 [0,0,0,1,0,0|1,0,0]=2 6166 B10R1.27 CCC(=O)N[C@@H]1CCOC1 240690a_200015188469_100000210414 [0,0,0,1,0,0|2,0,0]=3 6167 B10R1.27 CCC(=O)N[C@@H]1CCOC1 527a_200015188469_100000210414 [0,0,0,1,0,0|2,0,0]=3 6168 B10R1.27 CCC(=O)N[C@H]1CCOC1 11a_100015188467_100000210414 [0,0,0,1,0,0|2,0,0]=3 6169 B10R1.27 CCC(=O)N[C@H]1CCOC1 1626a_100015188467_100000210414 [0,0,0,1,0,0|2,0,0]=3 6170 B10R1.27 CCC(=O)N[C@H]1CCOC1 240690a_100015188467_100000210414 [0,0,0,1,0,0|2,0,0]=3 6171 B10R1.27 CCC(=O)N[C@H]1CCOC1 527a_100015188467_100000210414 [0,0,0,1,0,0|2,0,0]=3 6172 B10R1.27 CCC(C)CN1CCCC1 2230a_100000188435_100000748023 [0,0,0,1,0,0|2,0,1]=4 6173 B10R1.27 CCC(C)CN1CCCC1 269982a_100000188435_100000748023 [0,0,0,1,0,0|2,0,1]=4 6174 B10R1.27 CCC(C)CN1CCCC1 270004a_100000188435_100000243153 [0,0,0,1,0,0|2,0,1]=4 6175 B10R1.27 CCC(C)NC1CCCC1 2230a_100000209981_100000179811 [0,0,0,1,0,0|2,0,1]=4 6176 B10R1.27 CCC(C)NC1CCCC1 2230a_100000211070_100000758301 [0,0,0,1,0,0|2,0,1]=4 6177 B10R1.27 CCC(C)NC1CCCC1 270004a_100000209981_100000210133 [0,0,0,1,0,0|2,0,1]=4 6178 B10R1.27 CCC(C)NC1CCCC1 34a_100000211070_100011215416 [0,0,0,1,0,0|2,0,1]=4 6179 B10R1.27 CCC(C)OC1CCCC1 34a_100000210269_100011215416 [0,0,0,1,0,0|2,0,1]=4 6180 B10R1.27 CCC(C)OC1CCCC1 7a_100000210228_100000179811 [0,0,0,1,0,0|2,0,1]=4 6181 B10R1.27 CCC(C)OC1CCCC1 7a_100000210269_100000758301 [0,0,0,1,0,0|2,0,1]=4 6182 B10R1.27 CCC(C)SC1CCCC1 62a_100000758301_100000179811 [0,0,0,1,0,0|2,0,1]=4 6183 B10R1.27 CCC(C)SC1CCCC1 62a_100011217020_100000758301 [0,0,0,1,0,0|2,0,1]=4 6184 B10R1.27 CCC(O)CN1CCCC1 2230a_100000188435_100011218378 [0,0,0,1,0,0|1,0,2]=4 6185 B10R1.27 CCC(O)CN1CCCC1 269982a_100000188435_100011218378 [0,0,0,1,0,0|1,0,2]=4 6186 B10R1.27 CCN(C)CC1CCCC1 2230a_100000225621_100000740388 [0,0,0,1,0,0|2,0,0]=3 6187 B10R1.27 CCN(C)CC1CCCC1 269982a_100000225621_100000740388 [0,0,0,1,0,0|2,0,0]=3 6188 B10R1.27 CCN(C)CC1CCCO1 2230a_100000186375_200000210301 [0,0,0,1,0,0|3,0,0]=4 6189 B10R1.27 CCN(C)CC1CCCO1 2230a_100000225621_100000203698 [0,0,0,1,0,0|3,0,0]=4 6190 B10R1.27 CCN(C)CC1CCCO1 2230a_100102946541_100000210202 [0,0,0,1,0,0|3,0,0]=4 6191 B10R1.27 CCN(C)CC1CCCO1 269982a_100000186375_200000210301 [0,0,0,1,0,0|3,0,0]=4 6192 B10R1.27 CCN(C)CC1CCCO1 269982a_100000225621_100000183445 [0,0,0,1,0,0|3,0,0]=4 6193 B10R1.27 CCN(C)CC1CCCO1 269982a_100102946541_100000204670 [0,0,0,1,0,0|3,0,0]=4 6194 B10R1.27 CCN(C)CC1CCCO1 34a_100000186375_200000210301 [0,0,0,1,0,0|3,0,0]=4 6195 B10R1.27 CCN(C)CC1CCCO1 34a_100102946541_100000210202 [0,0,0,1,0,0|3,0,0]=4 6196 B10R1.27 CCN(C)CC1CCOC1 2230a_100000225621_100000702531 [0,0,0,1,0,0|3,0,0]=4 6197 B10R1.27 CCN(C)CC1CCOC1 2230a_100000684583_100000210202 [0,0,0,1,0,0|3,0,0]=4 6198 B10R1.27 CCN(C)CC1CCOC1 269982a_100000225621_100000702531 [0,0,0,1,0,0|3,0,0]=4 6199 B10R1.27 CCN(C)CC1CCOC1 269982a_100000684583_100000204670 [0,0,0,1,0,0|3,0,0]=4 6200 B10R1.27 CCN(C)CC1CCOC1 34a_100000684583_100000210202 [0,0,0,1,0,0|3,0,0]=4 6201 B10R1.27 CCN([13CH3])CC1CCCO1 2230a_100000186375_200025704644 [0,0,0,1,0,0|3,0,0]=4 6202 B10R1.27 CCN([13CH3])CC1CCCO1 269982a_100000186375_200025704644 [0,0,0,1,0,0|3,0,0]=4 6203 B10R1.27 CCN([13CH3])CC1CCCO1 34a_100000186375_200025704644 [0,0,0,1,0,0|3,0,0]=4 6204 B10R1.27 CC[C@H](C)CN1CCCC1 2230a_100000188435_100009816398 [0,0,0,1,0,0|2,0,1]=4 6205 B10R1.27 CC[C@H](C)CN1CCCC1 269982a_100000188435_100009816398 [0,0,0,1,0,0|2,0,1]=4 6206 B10R1.27 CNC(=O)C=C1CCCC1 11a_106832991635_100000743260 [0,0,0,1,0,0|1,0,2]=4 6207 B10R1.27 CNC(=O)C=C1CCCC1 1626a_100102657272_100000743260 [0,0,0,1,0,0|1,0,2]=4 6208 B10R1.27 CNC(=O)C=C1CCCC1 240690a_100102657272_100000743260 [0,0,0,1,0,0|1,0,2]=4 6209 B10R1.27 CNC(=O)C=C1CCCC1 527a_100102657272_100000743260 [0,0,0,1,0,0|1,0,2]=4 6210 B10R1.27 CNC(=O)CC1=CCCC1 11a_106832991635_100000050221 [0,0,0,1,0,0|1,0,2]=4 6211 B10R1.27 CNC(=O)CC1=CCCC1 1626a_100102657272_100000050221 [0,0,0,1,0,0|1,0,2]=4 6212 B10R1.27 CNC(=O)CC1=CCCC1 240690a_100102657272_100000050221 [0,0,0,1,0,0|1,0,2]=4 6213 B10R1.27 CNC(=O)CC1=CCCC1 527a_100102657272_100000050221 [0,0,0,1,0,0|1,0,2]=4 6214 B10R1.27 CNC(=O)CC1C=CCC1 11a_106832991635_100000212241 [0,0,0,1,0,0|1,0,2]=4 6215 B10R1.27 CNC(=O)CC1C=CCC1 1626a_100102657272_100000212241 [0,0,0,1,0,0|1,0,2]=4 6216 B10R1.27 CNC(=O)CC1C=CCC1 240690a_100102657272_100000212241 [0,0,0,1,0,0|1,0,2]=4 6217 B10R1.27 CNC(=O)CC1C=CCC1 527a_100102657272_100000212241 [0,0,0,1,0,0|1,0,2]=4 6218 B10R1.27 CNC(=O)CC1CC=CC1 11a_106832991635_200000137526 [0,0,0,1,0,0|1,0,2]=4 6219 B10R1.27 CNC(=O)CC1CC=CC1 1626a_100102657272_200000137526 [0,0,0,1,0,0|1,0,2]=4 6220 B10R1.27 CNC(=O)CC1CC=CC1 240690a_100102657272_200000137526 [0,0,0,1,0,0|1,0,2]=4 6221 B10R1.27 CNC(=O)CC1CC=CC1 527a_100102657272_200000137526 [0,0,0,1,0,0|1,0,2]=4 6222 B10R1.27 CNC(=O)CC1CCCC1 11a_106832991635_100000210891 [0,0,0,1,0,0|1,0,0]=2 6223 B10R1.27 CNC(=O)CC1CCCC1 1626a_100102657272_100000210891 [0,0,0,1,0,0|1,0,0]=2 6224 B10R1.27 CNC(=O)CC1CCCC1 240690a_100102657272_100000210891 [0,0,0,1,0,0|1,0,0]=2 6225 B10R1.27 CNC(=O)CC1CCCC1 527a_100102657272_100000210891 [0,0,0,1,0,0|1,0,0]=2 6226 B10R1.27 CNC(=O)CC1CCOC1 11a_106832991635_100011218419 [0,0,0,1,0,0|2,0,0]=3 6227 B10R1.27 CNC(=O)CC1CCOC1 1626a_100102657272_100011218419 [0,0,0,1,0,0|2,0,0]=3 6228 B10R1.27 CNC(=O)CC1CCOC1 240690a_100102657272_100011218419 [0,0,0,1,0,0|2,0,0]=3 6229 B10R1.27 CNC(=O)CC1CCOC1 527a_100102657272_100011218419 [0,0,0,1,0,0|2,0,0]=3 6230 B10R1.27 CNC(=O)CN1CCCC1 2230a_100000188435_100000183359 [0,0,0,1,0,0|2,0,0]=3 6231 B10R1.27 CNC(=O)CN1CCCC1 240690a_100102657272_100000740243 [0,0,0,1,0,0|2,0,0]=3 6232 B10R1.27 CNC(=O)CN1CCCC1 269982a_100000188435_100000183359 [0,0,0,1,0,0|2,0,0]=3 6233 B10R1.27 CNC(=O)CN1CCCC1 527a_100102657272_100000740243 [0,0,0,1,0,0|2,0,0]=3 6234 B10R1.27 CNC(=O)CN1CCSC1 2230a_100011215254_100000183359 [0,0,0,1,0,0|3,0,0]=4 6235 B10R1.27 CNC(=O)CN1CCSC1 269982a_100011215254_100000183359 [0,0,0,1,0,0|3,0,0]=4 6236 B10R1.27 CNC(=O)NC1CCCC1 2708a_100000211070_106832991635 [0,0,0,1,0,0|2,0,0]=3 6237 B10R1.27 CNC(=O)NC1CCCC1 2708a_100102657272_100000211070 [0,0,0,1,0,0|2,0,0]=3 6238 B10R1.27 CNC(=O)NC1CCCC1 273464a_100000211070_100102657272 [0,0,0,1,0,0|2,0,0]=3 6239 B10R1.27 CNC(=O)NC1CCCC1 273464a_100102657272_100000211070 [0,0,0,1,0,0|2,0,0]=3 6240 B10R1.27 CNC(=O)NC1CCCC1 512a_100000211070_100102657272 [0,0,0,1,0,0|2,0,0]=3 6241 B10R1.27 CNC(=O)NC1CCCC1 512a_106832991638_100000211070 [0,0,0,1,0,0|2,0,0]=3 6242 B10R1.27 CNC(=O)N[C@@H]1CCOC1 2708a_100102657272_200015188469 [0,0,0,1,0,0|3,0,0]=4 6243 B10R1.27 CNC(=O)N[C@@H]1CCOC1 2708a_200015188469_106832991635 [0,0,0,1,0,0|3,0,0]=4 6244 B10R1.27 CNC(=O)N[C@@H]1CCOC1 273464a_100102657272_200015188469 [0,0,0,1,0,0|3,0,0]=4 6245 B10R1.27 CNC(=O)N[C@@H]1CCOC1 273464a_200015188469_100102657272 [0,0,0,1,0,0|3,0,0]=4 6246 B10R1.27 CNC(=O)N[C@@H]1CCOC1 512a_106832991638_200015188469 [0,0,0,1,0,0|3,0,0]=4 6247 B10R1.27 CNC(=O)N[C@H]1CCOC1 2708a_100015188467_106832991635 [0,0,0,1,0,0|3,0,0]=4 6248 B10R1.27 CNC(=O)N[C@H]1CCOC1 2708a_100102657272_100015188467 [0,0,0,1,0,0|3,0,0]=4 6249 B10R1.27 CNC(=O)N[C@H]1CCOC1 273464a_100015188467_100102657272 [0,0,0,1,0,0|3,0,0]=4 6250 B10R1.27 CNC(=O)N[C@H]1CCOC1 273464a_100102657272_100015188467 [0,0,0,1,0,0|3,0,0]=4 6251 B10R1.27 CNC(=O)N[C@H]1CCOC1 512a_100015188467_100102657272 [0,0,0,1,0,0|3,0,0]=4 6252 B10R1.27 CNC(=O)N[C@H]1CCOC1 512a_106832991638_100015188467 [0,0,0,1,0,0|3,0,0]=4 6253 B10R1.27 CNC(C)CC1CCCC1 270004a_106832991635_100000692464 [0,0,0,1,0,0|2,0,1]=4 6254 B10R1.27 COC(=O)CN1CCCC1 2230a_100000188435_100000747449 [0,0,0,1,0,0|2,0,0]=3 6255 B10R1.27 COC(=O)CN1CCCC1 269982a_100000188435_100000747449 [0,0,0,1,0,0|2,0,0]=3 6256 B10R1.27 COC(=O)CN1CCSC1 2230a_100011215254_100000747449 [0,0,0,1,0,0|3,0,0]=4 6257 B10R1.27 COC(=O)CN1CCSC1 269982a_100011215254_100000747449 [0,0,0,1,0,0|3,0,0]=4 6258 B10R1.27 O=C(C=C1CCCC1)CF 1458a_100000743260_100015361967 [0,0,0,1,0,0|1,0,2]=4 6259 B10R1.27 O=C(CF)CC1=CCCC1 1458a_100000050221_100015361967 [0,0,0,1,0,0|1,0,2]=4 6260 B10R1.27 O=C(CF)CC1C=CCC1 1458a_100000212241_100015361967 [0,0,0,1,0,0|1,0,2]=4 6261 B10R1.27 O=C(CF)CC1CC=CC1 1458a_200000137526_100015361967 [0,0,0,1,0,0|1,0,2]=4 6262 B10R1.27 O=C(CF)CC1CCCC1 1458a_100000210891_100015361967 [0,0,0,1,0,0|1,0,0]=2 6263 B10R1.27 O=C(CF)CC1CCOC1 1458a_100011218419_100015361967 [0,0,0,1,0,0|2,0,0]=3 6264 B10R1.27 O=C(CF)CN1CCCC1 1458a_100000740243_100015361967 [0,0,0,1,0,0|2,0,0]=3 6265 B10R1.27 O=C(CO)CC1CCCC1 1458a_100000210174_100000740388 [0,0,0,1,0,0|1,0,0]=2 6266 B10R1.27 O=C(CO)CC1CCCO1 1458a_100000210174_100000203698 [0,0,0,1,0,0|2,0,0]=3 6267 B10R1.27 O=C(CO)CC1CCOC1 1458a_100000210174_100000702531 [0,0,0,1,0,0|2,0,0]=3 6268 B10R1.27 O=C(CO)CC1OCCO1 1458a_100000210174_100000755774 [0,0,0,1,0,0|3,0,0]=4 6269 B10R1.27 O=C(CO)NC1CCCC1 240690a_100000211070_100000210174 [0,0,0,1,0,0|2,0,0]=3 6270 B10R1.27 O=C(CO)NC1CCCC1 527a_100000211070_100000210174 [0,0,0,1,0,0|2,0,0]=3 6271 B10R1.27 O=C(CO)N[C@@H]1CCOC1 240690a_200015188469_100000210174 [0,0,0,1,0,0|3,0,0]=4 6272 B10R1.27 O=C(CO)N[C@@H]1CCOC1 527a_200015188469_100000210174 [0,0,0,1,0,0|3,0,0]=4 6273 B10R1.27 O=C(CO)N[C@H]1CCOC1 240690a_100015188467_100000210174 [0,0,0,1,0,0|3,0,0]=4 6274 B10R1.27 O=C(CO)N[C@H]1CCOC1 527a_100015188467_100000210174 [0,0,0,1,0,0|3,0,0]=4 6275 B10R1.37 C#CCCNC1CCC1=O 34a_100000755551_100009892977 [0,0,0,1,0,0|1,0,2]=4 6276 B10R1.37 C#CCCOC1CCC1=O 34a_100011215631_100009892977 [0,0,0,1,0,0|1,0,2]=4 6277 B10R1.37 C#CCCSC1CCC1=O 62a_100000688953_100009892977 [0,0,0,1,0,0|1,0,2]=4 6278 B10R1.37 C#CCCSC1CCC1=O 62a_100009892977_100000688953 [0,0,0,1,0,0|1,0,2]=4 6279 B10R1.37 C/C=C/COC1CCC1=O 34a_100016270725_100009892977 [0,0,0,1,0,0|1,0,2]=4 6280 B10R1.37 C/C=C/CSC1CCC1=O 62a_100009892977_100102629194 [0,0,0,1,0,0|1,0,2]=4 6281 B10R1.37 C/C=C/CSC1CCC1=O 62a_100102629194_100009892977 [0,0,0,1,0,0|1,0,2]=4 6282 B10R1.37 C=CCCOC1CCC1=O 34a_100011205117_100009892977 [0,0,0,1,0,0|1,0,2]=4 6283 B10R1.37 C=CCCSC1CCC1=O 62a_100000754431_100009892977 [0,0,0,1,0,0|1,0,2]=4 6284 B10R1.37 C=CCCSC1CCC1=O 62a_100009892977_100000754431 [0,0,0,1,0,0|1,0,2]=4 6285 B10R1.37 CC#CCNC1CCC1=O 34a_100000685387_100009892977 [0,0,0,1,0,0|1,0,2]=4 6286 B10R1.37 CC#CCOC1CCC1=O 34a_100000761923_100009892977 [0,0,0,1,0,0|1,0,2]=4 6287 B10R1.37 CC#CCSC1CCC1=O 62a_100000748600_100009892977 [0,0,0,1,0,0|1,0,2]=4 6288 B10R1.37 CC#CCSC1CCC1=O 62a_100009892977_100000748600 [0,0,0,1,0,0|1,0,2]=4 6289 B10R1.37 CC=CCSC1CCC1=O 62a_100000070051_100009892977 [0,0,0,1,0,0|1,0,2]=4 6290 B10R1.37 CC=CCSC1CCC1=O 62a_100009892977_100000070051 [0,0,0,1,0,0|1,0,2]=4 6291 B10R1.37 CCCCCN1CCC1C 269982a_100000755817_100000210215 [0,0,0,1,0,0|2,0,1]=4 6292 B10R1.37 CCCCCN1CCC1C 34a_100000755817_100000718602 [0,0,0,1,0,0|2,0,1]=4 6293 B10R1.37 CCCCNC1CCC1=O 7a_106832991798_100009892977 [0,0,0,1,0,0|1,0,0]=2 6294 B10R1.37 CCCCOC1CCC1=O 34a_100000210227_100009892977 [0,0,0,1,0,0|1,0,0]=2 6295 B10R1.37 CCCCOC1CCC1=O 7a_100000210227_100009892977 [0,0,0,1,0,0|1,0,0]=2 6296 B10R1.37 CCCCSC1CCC1=O 62a_100000210211_100009892977 [0,0,0,1,0,0|1,0,0]=2 6297 B10R1.37 CCCCSC1CCC1=O 62a_100009892977_100000210210 [0,0,0,1,0,0|1,0,0]=2 6298 B10R1.37 CCNCCC1CCC1=O 2230a_100015525214_200016118888 [0,0,0,1,0,0|1,0,0]=2 6299 B10R1.37 CCOCSC1CCC1=O 62a_100000739092_100009892977 [0,0,0,1,0,0|2,0,0]=3 6300 B10R1.37 CCOCSC1CCC1=O 62a_100009892977_100000739092 [0,0,0,1,0,0|2,0,0]=3 6301 B10R1.37 CCSCCC1CCC1=O 62a_100000210202_200016118888 [0,0,0,1,0,0|1,0,0]=2 6302 B10R1.37 CCSCCC1CCC1=O 62a_200016118888_100000210202 [0,0,0,1,0,0|1,0,0]=2 6303 B10R1.37 COCCOC1CCC1=O 34a_100000210237_100009892977 [0,0,0,1,0,0|2,0,0]=3 6304 B10R1.37 COCCSC1CCC1=O 62a_100000233755_100009892977 [0,0,0,1,0,0|2,0,0]=3 6305 B10R1.37 COCCSC1CCC1=O 62a_100009892977_100000233755 [0,0,0,1,0,0|2,0,0]=3 6306 B10R1.37 CSCCOC1CCC1=O 34a_100000230434_100009892977 [0,0,0,1,0,0|2,0,0]=3 6307 B10R1.37 CSCCOC1CCC1=O 7a_100000230434_100009892977 [0,0,0,1,0,0|2,0,0]=3 6308 B10R1.37 CSCCSC1CCC1=O 62a_100000212216_100009892977 [0,0,0,1,0,0|2,0,0]=3 6309 B10R1.37 CSCCSC1CCC1=O 62a_100009892977_100000751147 [0,0,0,1,0,0|2,0,0]=3 6310 B10R1.37 N#CCCSC1CCC1=O 62a_100009892977_100011215226 [0,0,0,1,0,0|2,0,1]=4 6311 B10R1.37 N#CCCSC1CCC1=O 62a_100011215226_100009892977 [0,0,0,1,0,0|2,0,1]=4 6312 B10R1.37 NCCCOC1CCC1=O 34a_100000182051_100009892977 [0,0,0,1,0,0|2,0,0]=3 6313 B10R1.37 NOCCOC1CCC1=O 34a_100000700252_100009892977 [0,0,0,1,0,0|3,0,0]=4 6314 B10R1.37 O=C1CCC1CCSCF 62a_100015361967_200016118888 [0,0,0,1,0,0|2,0,0]=3 6315 B10R1.37 O=C1CCC1CCSCF 62a_200016118888_100015361967 [0,0,0,1,0,0|2,0,0]=3 6316 B10R1.37 O=C1CCC1NCCCF 34a_100015189416_100009892977 [0,0,0,1,0,0|2,0,0]=3 6317 B10R1.37 O=C1CCC1OCCCBr 34a_100011217188_100009892977 [0,0,0,1,0,0|2,0,0]=3 6318 B10R1.37 O=C1CCC1OCCCCl 34a_100000230001_100009892977 [0,0,0,1,0,0|2,0,0]=3 6319 B10R1.37 O=C1CCC1OCCCF 34a_100000759539_100009892977 [0,0,0,1,0,0|2,0,0]=3 6320 B10R1.37 O=C1CCC1SCCCF 62a_100009892977_100011934791 [0,0,0,1,0,0|2,0,0]=3 6321 B10R1.37 O=C1CCC1SCCCF 62a_100011934791_100009892977 [0,0,0,1,0,0|2,0,0]=3 6322 B10R1.37 O=C1CCC1SCCCO 62a_100009892977_100011215043 [0,0,0,1,0,0|2,0,0]=3 6323 B10R1.37 O=C1CCC1SCCCO 62a_100011215043_100009892977 [0,0,0,1,0,0|2,0,0]=3 6324 B10R1.56 CCCCOCC1CC1C 34a_100000744939_100000210210 [0,0,0,1,0,0|2,0,1]=4 6325 B10R1.56 CCCCOCC1CC1C 7a_100000744939_100000210211 [0,0,0,1,0,0|2,0,1]=4 6326 B10R1.57 CCCCCCN1CCC1 269982a_100000754969_100000210757 [0,0,0,1,0,0|2,0,0]=3 6327 B10R1.57 CCCCCNC1CCC1 2230a_100000749019_100000210326 [0,0,0,1,0,0|2,0,1]=4 6328 B10R1.57 CCCCCNC1CCC1 270004a_100000209983_100000241760 [0,0,0,1,0,0|2,0,1]=4 6329 B10R1.57 CCCCCNC1CCC1 34a_100000749019_100000718602 [0,0,0,1,0,0|2,0,1]=4 6330 B10R1.57 CCCCCOC1CCC1 34a_100000210253_100000749161 [0,0,0,1,0,0|2,0,1]=4 6331 B10R1.57 CCCCCOC1CCC1 34a_100000748187_100000718602 [0,0,0,1,0,0|2,0,1]=4 6332 B10R1.57 CCCCCSC1CCC1 62a_100000210326_100000749161 [0,0,0,1,0,0|2,0,1]=4 6333 B10R1.57 CCCCNCC1CCC1 2230a_100000102301_100000763275 [0,0,0,1,0,0|2,0,1]=4 6334 B10R1.57 CCCCNCC1CCC1 2230a_100000738700_100000210211 [0,0,0,1,0,0|2,0,1]=4 6335 B10R1.57 CCCCNCC1CCC1 269862a_100000102301_100000753134 [0,0,0,1,0,0|2,0,1]=4 6336 B10R1.57 CCCCNCC1CCC1 34a_100000738700_100000210210 [0,0,0,1,0,0|2,0,1]=4 6337 B10R1.57 CCCCNCC1CCC1 7a_106832991798_100000763275 [0,0,0,1,0,0|2,0,1]=4 6338 B10R1.57 CCCCNCC1CCO1 2230a_100000102301_100000103362 [0,0,0,1,0,0|1,0,2]=4 6339 B10R1.57 CCCCNCC1CCO1 7a_106832991798_100000103362 [0,0,0,1,0,0|1,0,2]=4 6340 B10R1.57 CCCCNC[C@@H]1CCO1 2230a_100020831831_100000210211 [0,0,0,1,0,0|1,0,2]=4 6341 B10R1.57 CCCCNC[C@@H]1CCO1 34a_100020831831_100000210210 [0,0,0,1,0,0|1,0,2]=4 6342 B10R1.57 CCCCNN=C1CCC1 4a_100025702795_100000241760 [0,0,0,1,0,0|3,0,0]=4 6343 B10R1.57 CCCCOCC1CCC1 34a_100000210227_100000763275 [0,0,0,1,0,0|2,0,1]=4 6344 B10R1.57 CCCCOCC1CCC1 34a_100000760304_100000210210 [0,0,0,1,0,0|2,0,1]=4 6345 B10R1.57 CCCCOCC1CCC1 7a_100000210227_100000763275 [0,0,0,1,0,0|2,0,1]=4 6346 B10R1.57 CCCCOCC1CCO1 34a_100000039022_100000210210 [0,0,0,1,0,0|1,0,2]=4 6347 B10R1.57 CCCCOCC1CCO1 34a_100000210227_100000103362 [0,0,0,1,0,0|1,0,2]=4 6348 B10R1.57 CCCCOCC1CCO1 7a_100000210227_100000103362 [0,0,0,1,0,0|1,0,2]=4 6349 B10R1.57 CCCCOCN1CCC1 269982a_100000754969_100011995733 [0,0,0,1,0,0|3,0,0]=4 6350 B10R1.57 CCCCSCC1CCC1 62a_100000210211_100000763275 [0,0,0,1,0,0|2,0,1]=4 6351 B10R1.57 CCCCSCC1CCC1 62a_100000763275_100000210210 [0,0,0,1,0,0|2,0,1]=4 6352 B10R1.57 CCCCSCC1CCO1 62a_100000103362_100000210210 [0,0,0,1,0,0|1,0,2]=4 6353 B10R1.57 CCCCSCC1CCO1 62a_100000210211_100000103362 [0,0,0,1,0,0|1,0,2]=4 6354 B10R1.57 CCCOCCN1CCC1 269982a_100000754969_100011215938 [0,0,0,1,0,0|3,0,0]=4 6355 B10R1.57 CCOCCCN1CCC1 269982a_100000754969_100012232248 [0,0,0,1,0,0|3,0,0]=4 6356 B10R1.57 COCCCCN1CCC1 269982a_100000754969_100000730899 [0,0,0,1,0,0|3,0,0]=4 6357 B10R1.57 FCCCCCN1CCC1 269982a_100000754969_100000729378 [0,0,0,1,0,0|3,0,0]=4 6358 B10R1.57 OCCCCCN1CCC1 269982a_100000754969_100000746330 [0,0,0,1,0,0|3,0,0]=4 6359 B10R1.70 CCCCCNC1(CC1)C 2230a_100000757604_100000210326 [0,0,0,1,0,0|2,0,1]=4 6360 B10R1.70 CCCCCOC1(CC1)C 7a_100011725673_100000210326 [0,0,0,1,0,0|2,0,1]=4 6361 B10R1.70 CCCCNCC1(CC1)C 2230a_100000766693_100000210211 [0,0,0,1,0,0|2,0,1]=4 6362 B10R1.70 CCCCNCC1(CC1)O 2230a_100011936951_100000210211 [0,0,0,1,0,0|1,0,2]=4 6363 B10R1.70 CCCCOCC1(CC1)C 7a_100000698024_100000210211 [0,0,0,1,0,0|2,0,1]=4 6364 B10R1.70 CCCCOCC1(CC1)F 34a_200000703853_100000210210 [0,0,0,1,0,0|2,0,1]=4 6365 B10R1.70 CCCCOCC1(CC1)F 7a_200000703853_100000210211 [0,0,0,1,0,0|2,0,1]=4 6366 B10R1.78 CN1CCCCCCCC1 2230a_100000039187_200000210301 [0,0,0,1,0,0|2,0,0]=3 6367 B10R1.78 CN1CCCCCCCC1 269982a_100000039187_200000210301 [0,0,0,1,0,0|2,0,0]=3 6368 B10R1.78 CN1CCCCCCCC1 34a_100000039187_200000210301 [0,0,0,1,0,0|2,0,0]=3 6369 B10R1.78 [13CH3]N1CCCCCCCC1 2230a_100000039187_200025704644 [0,0,0,1,0,0|2,0,0]=3 6370 B10R1.78 [13CH3]N1CCCCCCCC1 269982a_100000039187_200025704644 [0,0,0,1,0,0|2,0,0]=3 6371 B10R1.78 [13CH3]N1CCCCCCCC1 34a_100000039187_200025704644 [0,0,0,1,0,0|2,0,0]=3 6372 B10R1.96 CCCC1CCC(C1)NC 270004a_106832991635_200012087856 [0,0,0,1,0,0|2,0,1]=4 6373 B10R1.96 CCN1CCC(C1)CCO 2230a_100016987287_100000210202 [0,0,0,1,0,0|3,0,0]=4 6374 B10R1.96 CCN1CCC(C1)CCO 269982a_100016987287_100000204670 [0,0,0,1,0,0|3,0,0]=4 6375 B10R1.96 CCN1CCC(C1)CCO 34a_100016987287_100000210202 [0,0,0,1,0,0|3,0,0]=4 6376 B10R1.96 CCN1CCC(C1)CNC 2230a_100011224064_200000210301 [0,0,0,1,0,0|3,0,0]=4 6377 B10R1.96 CCN1CCC(C1)CNC 2230a_106832991635_100015184589 [0,0,0,1,0,0|3,0,0]=4 6378 B10R1.96 CCN1CCC(C1)CNC 7a_106832991635_100015184589 [0,0,0,1,0,0|3,0,0]=4 6379 B10R1.96 CCN1CCC(C1)CN[13CH3] 2230a_100011224064_200025704644 [0,0,0,1,0,0|3,0,0]=4 6380 B10R1.96 CCN1CCC(C1)COC 2230a_100025706693_100000210202 [0,0,0,1,0,0|3,0,0]=4 6381 B10R1.96 CCN1CCC(C1)COC 269982a_100025706693_100000204670 [0,0,0,1,0,0|3,0,0]=4 6382 B10R1.96 CCN1CCC(C1)COC 34a_100025706693_100000210202 [0,0,0,1,0,0|3,0,0]=4 6383 B10R1.96 CCN1CCC(C1)CSC 62a_100015184589_200000210301 [0,0,0,1,0,0|3,0,0]=4 6384 B10R1.96 CCN1CCC(C1)CSC 62a_200000210301_100015184589 [0,0,0,1,0,0|3,0,0]=4 6385 B10R1.96 CCN1CCC(C1)CS[13CH3] 62a_100015184589_200025704644 [0,0,0,1,0,0|3,0,0]=4 6386 B10R1.96 CCN1CCC(C1)CS[13CH3] 62a_200025704644_100015184589 [0,0,0,1,0,0|3,0,0]=4 6387 B10R1.96 CCNC1CCC(C1)CC 270004a_100015525214_100011218773 [0,0,0,1,0,0|2,0,1]=4 6388 B10R1.96 CCNC1CCN(C1)CC 2230a_100015188829_100000210202 [0,0,0,1,0,0|3,0,0]=4 6389 B10R1.96 CCO[C@H]1CCN(C1)CC 2230a_100011787710_100000210202 [0,0,0,1,0,0|3,0,0]=4 6390 B10R1.96 CCO[C@H]1CCN(C1)CC 269982a_100011787710_100000204670 [0,0,0,1,0,0|3,0,0]=4 6391 B10R1.96 CCO[C@H]1CCN(C1)CC 34a_100011787710_100000210202 [0,0,0,1,0,0|3,0,0]=4 6392 B10R1.96 CCSC1CCN(C1)CC 62a_100000210202_200011861547 [0,0,0,1,0,0|3,0,0]=4 6393 B10R1.99 CCCN1CC1C(=O)OC 2230a_200009830135_100000210303 [0,0,0,1,0,0|2,0,0]=3 6394 B10R1.99 COC(=O)C1CN1CCF 2230a_200009830135_100011217306 [0,0,0,1,0,0|3,0,0]=4 6395 B10R1.99 COC(=O)C1CN1CCO 2230a_200009830135_100000211926 [0,0,0,1,0,0|3,0,0]=4 6396 B10R1.99 COC(=O)C1CN1CSC 2230a_200009830135_100011218213 [0,0,0,1,0,0|3,0,0]=4 6397 B10R1.99 COCN1CC1C(=O)OC 2230a_200009830135_100000766300 [0,0,0,1,0,0|3,0,0]=4 6398 B10R1.143 CCCCN1CC(C1)CC 2230a_100015205115_100000210211 [0,0,0,1,0,0|2,0,1]=4 6399 B10R1.143 CCCCN1CC(C1)CC 269982a_100015205115_100000210211 [0,0,0,1,0,0|2,0,1]=4 6400 B10R1.143 CCCNC1CN(C1)CC 2230a_200015199589_100000210303 [0,0,0,1,0,0|3,0,0]=4 6401 B10R1.143 CCCOC1CN(C1)CC 269982a_200020626125_100000204670 [0,0,0,1,0,0|3,0,0]=4 6402 B10R1.143 CCCOC1CN(C1)CC 34a_200020626125_100000210202 [0,0,0,1,0,0|3,0,0]=4 6403 B10R1.149 C=CC(=O)N1CCC[C@@H]1C 240690a_100020605311_200121576911 [0,0,0,1,0,0|1,0,2]=4 6404 B10R1.149 C=CC(=O)N1CCC[C@H]1C 240690a_100015189458_200121576911 [0,0,0,1,0,0|1,0,2]=4 6405 B10R1.149 CC1CCCC1C(=O)CF 1458a_100000690547_100015361967 [0,0,0,1,0,0|1,0,0]=2 6406 B10R1.149 CC1SCCN1C(=O)CO 240690a_200011216479_100000210174 [0,0,0,1,0,0|3,0,0]=4 6407 B10R1.149 CC1SCCN1C(=O)CO 527a_200011216479_100000210174 [0,0,0,1,0,0|3,0,0]=4 6408 B10R1.149 CCC(=O)C1CCCC1=O 1458a_100000210414_100000211823 [0,0,0,1,0,0|1,0,1]=3 6409 B10R1.149 CCC(=O)C1CCCC1C 1458a_100000690547_100000210202 [0,0,0,1,0,0|0,0,0]=1 6410 B10R1.149 CCC(=O)C1CCOC1=O 1458a_100000210414_100000211211 [0,0,0,1,0,0|2,0,1]=4 6411 B10R1.149 CCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000210414 [0,0,0,1,0,0|1,0,0]=2 6412 B10R1.149 CCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000210414 [0,0,0,1,0,0|1,0,0]=2 6413 B10R1.149 CCC(=O)N1CCC[C@H]1C 11a_100015189458_100000210414 [0,0,0,1,0,0|1,0,0]=2 6414 B10R1.149 CCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000210414 [0,0,0,1,0,0|1,0,0]=2 6415 B10R1.149 CCC(=O)N1CCC[C@H]1C 527a_100015189458_100000210414 [0,0,0,1,0,0|1,0,0]=2 6416 B10R1.149 CCC(=O)N1CCSC1C 11a_200011216479_100000210414 [0,0,0,1,0,0|2,0,0]=3 6417 B10R1.149 CCC(=O)N1CCSC1C 1626a_200011216479_100000210414 [0,0,0,1,0,0|2,0,0]=3 6418 B10R1.149 CCC(=O)N1CCSC1C 240690a_200011216479_100000210414 [0,0,0,1,0,0|2,0,0]=3 6419 B10R1.149 CCC(=O)N1CCSC1C 527a_200011216479_100000210414 [0,0,0,1,0,0|2,0,0]=3 6420 B10R1.149 CCC(=O)[C@@H]1CCCN1C 1458a_100009816429_100000210202 [0,0,0,1,0,0|1,0,0]=2 6421 B10R1.149 CCC(C)N1CCC[C@@H]1C 2230a_100020605311_100000758301 [0,0,0,1,0,0|2,0,1]=4 6422 B10R1.149 CCC(C)N1CCC[C@@H]1C 269982a_100020605311_100000758301 [0,0,0,1,0,0|2,0,1]=4 6423 B10R1.149 CCC(C)N1CCC[C@H]1C 2230a_100015189458_100000758301 [0,0,0,1,0,0|2,0,1]=4 6424 B10R1.149 CCC(C)N1CCC[C@H]1C 269982a_100015189458_100000758301 [0,0,0,1,0,0|2,0,1]=4 6425 B10R1.149 CCC(C)N1CCC[C@H]1C 34a_100015189458_100011215416 [0,0,0,1,0,0|2,0,1]=4 6426 B10R1.149 CCN(C)[C@@H]1CCC[C@H]1O 269982a_100000225621_200016002552 [0,0,0,1,0,0|3,0,0]=4 6427 B10R1.149 CN1CCC[C@H]1C(=O)CF 1458a_100009816429_100015361967 [0,0,0,1,0,0|2,0,0]=3 6428 B10R1.149 CNC(=O)C1CCCC1C 11a_106832991635_100000690547 [0,0,0,1,0,0|1,0,0]=2 6429 B10R1.149 CNC(=O)C1CCCC1C 1626a_100102657272_100000690547 [0,0,0,1,0,0|1,0,0]=2 6430 B10R1.149 CNC(=O)C1CCCC1C 240690a_100102657272_100000690547 [0,0,0,1,0,0|1,0,0]=2 6431 B10R1.149 CNC(=O)C1CCCC1C 527a_100102657272_100000690547 [0,0,0,1,0,0|1,0,0]=2 6432 B10R1.149 CNC(=O)C1CSCN1C 240690a_100102657272_100020666735 [0,0,0,1,0,0|3,0,0]=4 6433 B10R1.149 CNC(=O)N1CCC[C@@H]1C 2708a_100102657272_100020605311 [0,0,0,1,0,0|2,0,0]=3 6434 B10R1.149 CNC(=O)N1CCC[C@@H]1C 273464a_100102657272_100020605311 [0,0,0,1,0,0|2,0,0]=3 6435 B10R1.149 CNC(=O)N1CCC[C@H]1C 2708a_100102657272_100015189458 [0,0,0,1,0,0|2,0,0]=3 6436 B10R1.149 CNC(=O)N1CCC[C@H]1C 273464a_100102657272_100015189458 [0,0,0,1,0,0|2,0,0]=3 6437 B10R1.149 CNC(=O)N1CCSC1C 2708a_100102657272_200011216479 [0,0,0,1,0,0|3,0,0]=4 6438 B10R1.149 CNC(=O)N1CCSC1C 273464a_100102657272_200011216479 [0,0,0,1,0,0|3,0,0]=4 6439 B10R1.149 CNC(=O)[C@@H]1CCCN1C 11a_106832991635_100009816429 [0,0,0,1,0,0|2,0,0]=3 6440 B10R1.149 CNC(=O)[C@@H]1CCCN1C 2230a_100015185040_200000210301 [0,0,0,1,0,0|2,0,0]=3 6441 B10R1.149 CNC(=O)[C@@H]1CCCN1C 240690a_100102657272_100009816429 [0,0,0,1,0,0|2,0,0]=3 6442 B10R1.149 CNC(=O)[C@@H]1CCCN1C 269982a_100015185040_200000210301 [0,0,0,1,0,0|2,0,0]=3 6443 B10R1.149 CNC(=O)[C@@H]1CCCN1C 34a_100015185040_200000210301 [0,0,0,1,0,0|2,0,0]=3 6444 B10R1.149 CNC(=O)[C@@H]1CCCN1C 527a_100102657272_100009816429 [0,0,0,1,0,0|2,0,0]=3 6445 B10R1.149 CNC(=O)[C@@H]1CCCN1[13CH3] 2230a_100015185040_200025704644 [0,0,0,1,0,0|2,0,0]=3 6446 B10R1.149 CNC(=O)[C@@H]1CCCN1[13CH3] 269982a_100015185040_200025704644 [0,0,0,1,0,0|2,0,0]=3 6447 B10R1.149 CNC(=O)[C@@H]1CCCN1[13CH3] 34a_100015185040_200025704644 [0,0,0,1,0,0|2,0,0]=3 6448 B10R1.149 COC(=O)C1CSCN1C 269982a_200000724679_200000210301 [0,0,0,1,0,0|3,0,0]=4 6449 B10R1.149 COC(=O)C1CSCN1[13CH3] 269982a_200000724679_200025704644 [0,0,0,1,0,0|3,0,0]=4 6450 B10R1.149 COC(=O)C1SCCN1C 2230a_100015296106_200000210301 [0,0,0,1,0,0|3,0,0]=4 6451 B10R1.149 COC(=O)C1SCCN1C 269982a_100015296106_200000210301 [0,0,0,1,0,0|3,0,0]=4 6452 B10R1.149 COC(=O)C1SCCN1[13CH3] 2230a_100015296106_200025704644 [0,0,0,1,0,0|3,0,0]=4 6453 B10R1.149 COC(=O)C1SCCN1[13CH3] 269982a_100015296106_200025704644 [0,0,0,1,0,0|3,0,0]=4 6454 B10R1.149 COC(=O)[C@@H]1CCCN1C 2230a_100000752040_200000210301 [0,0,0,1,0,0|2,0,0]=3 6455 B10R1.149 COC(=O)[C@@H]1CCCN1C 269982a_100000752040_200000210301 [0,0,0,1,0,0|2,0,0]=3 6456 B10R1.149 COC(=O)[C@@H]1CCCN1[13CH3] 2230a_100000752040_200025704644 [0,0,0,1,0,0|2,0,0]=3 6457 B10R1.149 COC(=O)[C@@H]1CCCN1[13CH3] 269982a_100000752040_200025704644 [0,0,0,1,0,0|2,0,0]=3 6458 B10R1.149 C[C@@H]1CCCN1C(=O)CO 240690a_100015189458_100000210174 [0,0,0,1,0,0|2,0,0]=3 6459 B10R1.149 C[C@@H]1CCCN1C(=O)CO 527a_100015189458_100000210174 [0,0,0,1,0,0|2,0,0]=3 6460 B10R1.149 C[C@H]1CCCN1C(=O)CO 240690a_100020605311_100000210174 [0,0,0,1,0,0|2,0,0]=3 6461 B10R1.149 C[C@H]1CCCN1C(=O)CO 527a_100020605311_100000210174 [0,0,0,1,0,0|2,0,0]=3 6462 B10R1.149 O=C(CO)C1CCCC1=O 1458a_100000210174_100000211823 [0,0,0,1,0,0|2,0,1]=4 6463 B10R1.151 C=CC(=O)NCC1CCC1 1626a_100000738700_100000185746 [0,0,0,1,0,0|1,0,2]=4 6464 B10R1.151 C=CC(=O)NCC1CCC1 240690a_100000738700_200121576911 [0,0,0,1,0,0|1,0,2]=4 6465 B10R1.151 CCC(=O)COC1CCC1 34a_100000725409_100000749161 [0,0,0,1,0,0|1,0,0]=2 6466 B10R1.151 CCC(=O)COC1COC1 34a_100000725409_100009818527 [0,0,0,1,0,0|2,0,0]=3 6467 B10R1.151 CCC(=O)COC1CSC1 7a_100000072292_100000747405 [0,0,0,1,0,0|2,0,0]=3 6468 B10R1.151 CCC(=O)CSC1CCC1 62a_100000747405_100000749161 [0,0,0,1,0,0|1,0,0]=2 6469 B10R1.151 CCC(=O)CSC1COC1 62a_100000747405_100009818527 [0,0,0,1,0,0|2,0,0]=3 6470 B10R1.151 CCC(=O)NCC1CCC1 11a_100000738700_100000210414 [0,0,0,1,0,0|1,0,0]=2 6471 B10R1.151 CCC(=O)NCC1CCC1 1626a_100000738700_100000210414 [0,0,0,1,0,0|1,0,0]=2 6472 B10R1.151 CCC(=O)NCC1CCC1 240690a_100000738700_100000210414 [0,0,0,1,0,0|1,0,0]=2 6473 B10R1.151 CCC(=O)NCC1CCC1 527a_100000738700_100000210414 [0,0,0,1,0,0|1,0,0]=2 6474 B10R1.151 CCC(=O)NCC1COC1 11a_100015281925_100000210414 [0,0,0,1,0,0|2,0,0]=3 6475 B10R1.151 CCC(=O)NCC1COC1 1626a_100015281925_100000210414 [0,0,0,1,0,0|2,0,0]=3 6476 B10R1.151 CCC(=O)NCC1COC1 240690a_100015281925_100000210414 [0,0,0,1,0,0|2,0,0]=3 6477 B10R1.151 CCC(=O)NCC1COC1 527a_100015281925_100000210414 [0,0,0,1,0,0|2,0,0]=3 6478 B10R1.151 CCC(=O)NC[C@@H]1CCO1 11a_100020831831_100000210414 [0,0,0,1,0,0|2,0,0]=3 6479 B10R1.151 CCC(=O)NC[C@@H]1CCO1 1626a_100020831831_100000210414 [0,0,0,1,0,0|2,0,0]=3 6480 B10R1.151 CCC(=O)NC[C@@H]1CCO1 240690a_100020831831_100000210414 [0,0,0,1,0,0|2,0,0]=3 6481 B10R1.151 CCC(=O)NC[C@@H]1CCO1 527a_100020831831_100000210414 [0,0,0,1,0,0|2,0,0]=3 6482 B10R1.151 CCC(=O)NN=C1CCC1 4a_100000183195_100000241760 [0,0,0,1,0,0|2,0,1]=4 6483 B10R1.151 CCC(=O)NNC1CCC1 22a_100000736358_100000210414 [0,0,0,1,0,0|2,0,0]=3 6484 B10R1.151 CCC(=O)NNC1COC1 22a_100015188821_100000210414 [0,0,0,1,0,0|3,0,0]=4 6485 B10R1.151 CCC(C)CNC1CCC1 2230a_100000749019_100000748023 [0,0,0,1,0,0|2,0,1]=4 6486 B10R1.151 CCC(C)CNC1CCC1 270004a_100020588543_100000241760 [0,0,0,1,0,0|2,0,1]=4 6487 B10R1.151 CCC(C)CNC1CCC1 34a_100000749019_100000748023 [0,0,0,1,0,0|2,0,1]=4 6488 B10R1.151 CCC(C)COC1CCC1 34a_100000748187_100000748023 [0,0,0,1,0,0|2,0,1]=4 6489 B10R1.151 CCC(C)CSC1CCC1 62a_100000748023_100000749161 [0,0,0,1,0,0|2,0,1]=4 6490 B10R1.151 CCC(C)NCC1CCC1 2230a_100000209981_100000763275 [0,0,0,1,0,0|2,0,1]=4 6491 B10R1.151 CCC(C)NCC1CCC1 2230a_100000738700_100000758301 [0,0,0,1,0,0|2,0,1]=4 6492 B10R1.151 CCC(C)NCC1CCC1 269862a_100000209981_100000753134 [0,0,0,1,0,0|2,0,1]=4 6493 B10R1.151 CCC(C)NCC1CCC1 34a_100000738700_100011215416 [0,0,0,1,0,0|2,0,1]=4 6494 B10R1.151 CCC(C)OCC1CCC1 34a_100000760304_100011215416 [0,0,0,1,0,0|2,0,1]=4 6495 B10R1.151 CCC(C)OCC1CCC1 7a_100000210228_100000763275 [0,0,0,1,0,0|2,0,1]=4 6496 B10R1.151 CCC(C)SCC1CCC1 62a_100000758301_100000763275 [0,0,0,1,0,0|2,0,1]=4 6497 B10R1.151 CCC(C)SCC1CCC1 62a_100000763275_100000758301 [0,0,0,1,0,0|2,0,1]=4 6498 B10R1.151 CCC(O)CNC1CCC1 2230a_100000749019_100011218378 [0,0,0,1,0,0|1,0,2]=4 6499 B10R1.151 CCC(O)CNC1CCC1 270004a_100011218483_100000241760 [0,0,0,1,0,0|1,0,2]=4 6500 B10R1.151 CCC(O)CNC1CCC1 34a_100000749019_100011218378 [0,0,0,1,0,0|1,0,2]=4 6501 B10R1.151 CCC(O)COC1CCC1 34a_100000748187_100011218378 [0,0,0,1,0,0|1,0,2]=4 6502 B10R1.151 CCC(O)CSC1CCC1 62a_100011218378_100000749161 [0,0,0,1,0,0|1,0,2]=4 6503 B10R1.151 CC[C@H](C)CNC1CCC1 2230a_100000749019_100009816398 [0,0,0,1,0,0|2,0,1]=4 6504 B10R1.151 CC[C@H](C)CNC1CCC1 34a_100000749019_100009816398 [0,0,0,1,0,0|2,0,1]=4 6505 B10R1.151 CC[C@H](C)COC1CCC1 34a_100000748187_100009816398 [0,0,0,1,0,0|2,0,1]=4 6506 B10R1.151 CC[C@H](C)CSC1CCC1 62a_100009816398_100000749161 [0,0,0,1,0,0|2,0,1]=4 6507 B10R1.151 CNC(=O)CCN1CCC1 269982a_100000754969_100000737683 [0,0,0,1,0,0|2,0,0]=3 6508 B10R1.151 CNC(=O)CNC1CCC1 2230a_100000749019_100000183359 [0,0,0,1,0,0|2,0,0]=3 6509 B10R1.151 CNC(=O)CNC1CCC1 270004a_100000693194_100000241760 [0,0,0,1,0,0|2,0,0]=3 6510 B10R1.151 CNC(=O)CNC1CCC1 34a_100000749019_100000183359 [0,0,0,1,0,0|2,0,0]=3 6511 B10R1.151 CNC(=O)CNC1COC1 2230a_100016991112_100000183359 [0,0,0,1,0,0|3,0,0]=4 6512 B10R1.151 CNC(=O)COC1CCC1 34a_100000748187_100000183359 [0,0,0,1,0,0|2,0,0]=3 6513 B10R1.151 CNC(=O)COC1CCC1 34a_100000750040_100000749161 [0,0,0,1,0,0|2,0,0]=3 6514 B10R1.151 CNC(=O)COC1COC1 34a_100000750040_100009818527 [0,0,0,1,0,0|3,0,0]=4 6515 B10R1.151 CNC(=O)COC1CSC1 7a_100000072292_100000183359 [0,0,0,1,0,0|3,0,0]=4 6516 B10R1.151 CNC(=O)CSC1CCC1 62a_100000183359_100000749161 [0,0,0,1,0,0|2,0,0]=3 6517 B10R1.151 CNC(=O)CSC1COC1 62a_100000183359_100009818527 [0,0,0,1,0,0|3,0,0]=4 6518 B10R1.151 CNC(=O)NCC1CCC1 2708a_100000738700_106832991635 [0,0,0,1,0,0|2,0,0]=3 6519 B10R1.151 CNC(=O)NCC1CCC1 2708a_100102657272_100000738700 [0,0,0,1,0,0|2,0,0]=3 6520 B10R1.151 CNC(=O)NCC1CCC1 273464a_100000738700_100102657272 [0,0,0,1,0,0|2,0,0]=3 6521 B10R1.151 CNC(=O)NCC1CCC1 273464a_100102657272_100000738700 [0,0,0,1,0,0|2,0,0]=3 6522 B10R1.151 CNC(=O)NCC1CCC1 512a_100000738700_100102657272 [0,0,0,1,0,0|2,0,0]=3 6523 B10R1.151 CNC(=O)NCC1CCC1 512a_106832991638_100000738700 [0,0,0,1,0,0|2,0,0]=3 6524 B10R1.151 CNC(=O)NCC1COC1 2708a_100015281925_106832991635 [0,0,0,1,0,0|3,0,0]=4 6525 B10R1.151 CNC(=O)NCC1COC1 2708a_100102657272_100015281925 [0,0,0,1,0,0|3,0,0]=4 6526 B10R1.151 CNC(=O)NCC1COC1 273464a_100015281925_100102657272 [0,0,0,1,0,0|3,0,0]=4 6527 B10R1.151 CNC(=O)NCC1COC1 273464a_100102657272_100015281925 [0,0,0,1,0,0|3,0,0]=4 6528 B10R1.151 CNC(=O)NCC1COC1 512a_100015281925_100102657272 [0,0,0,1,0,0|3,0,0]=4 6529 B10R1.151 CNC(=O)NCC1COC1 512a_106832991638_100015281925 [0,0,0,1,0,0|3,0,0]=4 6530 B10R1.151 CNC(=O)NC[C@@H]1CCO1 2708a_100020831831_106832991635 [0,0,0,1,0,0|3,0,0]=4 6531 B10R1.151 CNC(=O)NC[C@@H]1CCO1 2708a_100102657272_100020831831 [0,0,0,1,0,0|3,0,0]=4 6532 B10R1.151 CNC(=O)NC[C@@H]1CCO1 273464a_100020831831_100102657272 [0,0,0,1,0,0|3,0,0]=4 6533 B10R1.151 CNC(=O)NC[C@@H]1CCO1 273464a_100102657272_100020831831 [0,0,0,1,0,0|3,0,0]=4 6534 B10R1.151 CNC(=O)NC[C@@H]1CCO1 512a_100020831831_100102657272 [0,0,0,1,0,0|3,0,0]=4 6535 B10R1.151 CNC(=O)NC[C@@H]1CCO1 512a_106832991638_100020831831 [0,0,0,1,0,0|3,0,0]=4 6536 B10R1.151 CNC(=O)NNC1CCC1 273464a_100102657272_100000736358 [0,0,0,1,0,0|3,0,0]=4 6537 B10R1.151 CNC(=O)NNC1CCC1 512a_100000736358_100102657272 [0,0,0,1,0,0|3,0,0]=4 6538 B10R1.151 CNC(=O)NNC1CCC1 512a_106832991638_100000736358 [0,0,0,1,0,0|3,0,0]=4 6539 B10R1.151 COC(=O)CCN1CCC1 269982a_100000754969_100000204255 [0,0,0,1,0,0|2,0,0]=3 6540 B10R1.151 COC(=O)CNC1CCC1 2230a_100000749019_100000747449 [0,0,0,1,0,0|2,0,0]=3 6541 B10R1.151 COC(=O)CNC1CCC1 34a_100000749019_100000747449 [0,0,0,1,0,0|2,0,0]=3 6542 B10R1.151 COC(=O)CNC1COC1 2230a_100016991112_100000747449 [0,0,0,1,0,0|3,0,0]=4 6543 B10R1.151 COC(=O)COC1CCC1 34a_100000748187_100000747449 [0,0,0,1,0,0|2,0,0]=3 6544 B10R1.151 COC(=O)COC1CSC1 7a_100000072292_100000747449 [0,0,0,1,0,0|3,0,0]=4 6545 B10R1.151 COC(=O)CSC1CCC1 62a_100000747449_100000749161 [0,0,0,1,0,0|2,0,0]=3 6546 B10R1.151 COC(=O)CSC1COC1 62a_100000747449_100009818527 [0,0,0,1,0,0|3,0,0]=4 6547 B10R1.151 O=C(CO)NCC1CCC1 240690a_100000738700_100000210174 [0,0,0,1,0,0|2,0,0]=3 6548 B10R1.151 O=C(CO)NCC1CCC1 527a_100000738700_100000210174 [0,0,0,1,0,0|2,0,0]=3 6549 B10R1.151 O=C(CO)NCC1COC1 240690a_100015281925_100000210174 [0,0,0,1,0,0|3,0,0]=4 6550 B10R1.151 O=C(CO)NCC1COC1 527a_100015281925_100000210174 [0,0,0,1,0,0|3,0,0]=4 6551 B10R1.151 O=C(CO)NC[C@@H]1CCO1 240690a_100020831831_100000210174 [0,0,0,1,0,0|3,0,0]=4 6552 B10R1.151 O=C(CO)NC[C@@H]1CCO1 527a_100020831831_100000210174 [0,0,0,1,0,0|3,0,0]=4 6553 B10R1.151 O=C(CO)NNC1CCC1 22a_100000736358_100000210174 [0,0,0,1,0,0|3,0,0]=4 6554 B10R1.153 C#CC(=O)CCCC1CO1 1458a_100000211873_100000733510 [0,0,0,1,0,0|1,0,2]=4 6555 B10R1.153 C=CC(=O)CCCC1CO1 1458a_100000185746_100000733510 [0,0,0,1,0,0|1,0,2]=4 6556 B10R1.153 C=CC(=O)NCCC1CC1 1626a_100000764129_100000185746 [0,0,0,1,0,0|1,0,2]=4 6557 B10R1.153 C=CC(=O)NCCC1CC1 240690a_100000764129_200121576911 [0,0,0,1,0,0|1,0,2]=4 6558 B10R1.153 CCC(=O)CC#CC1CC1 1458a_100000210414_100009895102 [0,0,0,1,0,0|0,0,2]=3 6559 B10R1.153 CCC(=O)CCCC1CO1 1458a_100000210414_100000733510 [0,0,0,1,0,0|1,0,0]=2 6560 B10R1.153 CCC(=O)COCC1CC1 34a_100000725409_100000742324 [0,0,0,1,0,0|1,0,0]=2 6561 B10R1.153 CCC(=O)COCC1CO1 34a_100000725409_102125554688 [0,0,0,1,0,0|2,0,0]=3 6562 B10R1.153 CCC(=O)CSCC1CC1 1458a_200011316215_100000210202 [0,0,0,1,0,0|1,0,0]=2 6563 B10R1.153 CCC(=O)CSCC1CC1 62a_100000747405_100000742324 [0,0,0,1,0,0|1,0,0]=2 6564 B10R1.153 CCC(=O)CSCC1CC1 62a_100000756562_100000747405 [0,0,0,1,0,0|1,0,0]=2 6565 B10R1.153 CCC(=O)CSCC1CO1 62a_100000747405_102125554688 [0,0,0,1,0,0|2,0,0]=3 6566 B10R1.153 CCC(=O)CSCC1CO1 62a_102125554688_100000747405 [0,0,0,1,0,0|2,0,0]=3 6567 B10R1.153 CCC(=O)CSCC1CS1 62a_100000031435_100000747405 [0,0,0,1,0,0|2,0,0]=3 6568 B10R1.153 CCC(=O)CSCC1CS1 62a_100000747405_100000031435 [0,0,0,1,0,0|2,0,0]=3 6569 B10R1.153 CCC(=O)CSC[C@@H]1CO1 62a_100000745022_100000747405 [0,0,0,1,0,0|2,0,0]=3 6570 B10R1.153 CCC(=O)CSC[C@@H]1CO1 62a_100000747405_100000745022 [0,0,0,1,0,0|2,0,0]=3 6571 B10R1.153 CCC(=O)NCCC1CC1 1626a_100000764129_100000210414 [0,0,0,1,0,0|1,0,0]=2 6572 B10R1.153 CCC(=O)NCCC1CC1 240690a_100000764129_100000210414 [0,0,0,1,0,0|1,0,0]=2 6573 B10R1.153 CCC(=O)NCCC1CC1 527a_100000764129_100000210414 [0,0,0,1,0,0|1,0,0]=2 6574 B10R1.153 CCC(=O)NN=CC1CC1 4a_100000183195_100000741477 [0,0,0,1,0,0|2,0,1]=4 6575 B10R1.153 CCC(=O)NNCC1CC1 22a_100000736359_100000210414 [0,0,0,1,0,0|2,0,0]=3 6576 B10R1.153 CCC(C)CNCC1CC1 2230a_100000735609_100000748023 [0,0,0,1,0,0|2,0,1]=4 6577 B10R1.153 CCC(C)CNCC1CC1 2230a_100020588543_100000742324 [0,0,0,1,0,0|2,0,1]=4 6578 B10R1.153 CCC(C)CNCC1CC1 269862a_100020588543_100000741477 [0,0,0,1,0,0|2,0,1]=4 6579 B10R1.153 CCC(C)CNCC1CC1 270004a_100000735609_100000243153 [0,0,0,1,0,0|2,0,1]=4 6580 B10R1.153 CCC(C)CNCC1CC1 34a_100000735609_100000748023 [0,0,0,1,0,0|2,0,1]=4 6581 B10R1.153 CCC(C)COCC1CC1 34a_100000211283_100000748023 [0,0,0,1,0,0|2,0,1]=4 6582 B10R1.153 CCC(C)CSCC1CC1 62a_100000748023_100000742324 [0,0,0,1,0,0|2,0,1]=4 6583 B10R1.153 CCC(C)CSCC1CC1 62a_100000756562_100000748023 [0,0,0,1,0,0|2,0,1]=4 6584 B10R1.153 CCC(C)NCCC1CC1 2230a_100000209981_100000694398 [0,0,0,1,0,0|2,0,1]=4 6585 B10R1.153 CCC(C)NCCC1CC1 34a_100000764129_100011215416 [0,0,0,1,0,0|2,0,1]=4 6586 B10R1.153 CCC(C)OCCC1CC1 34a_100000754188_100011215416 [0,0,0,1,0,0|2,0,1]=4 6587 B10R1.153 CCC(C)OCCC1CC1 7a_100000210228_100000764125 [0,0,0,1,0,0|2,0,1]=4 6588 B10R1.153 CCC(C)OCCC1CC1 7a_100000754188_100000758301 [0,0,0,1,0,0|2,0,1]=4 6589 B10R1.153 CCC(C)SCCC1CC1 62a_100000758301_100000764125 [0,0,0,1,0,0|2,0,1]=4 6590 B10R1.153 CCC(C)SCCC1CC1 62a_100000764125_100000758301 [0,0,0,1,0,0|2,0,1]=4 6591 B10R1.153 CCC(O)CNCC1CC1 2230a_100000735609_100011218378 [0,0,0,1,0,0|1,0,2]=4 6592 B10R1.153 CCC(O)CNCC1CC1 2230a_100011218483_100000742324 [0,0,0,1,0,0|1,0,2]=4 6593 B10R1.153 CCC(O)CNCC1CC1 269862a_100011218483_100000741477 [0,0,0,1,0,0|1,0,2]=4 6594 B10R1.153 CCC(O)CNCC1CC1 34a_100000735609_100011218378 [0,0,0,1,0,0|1,0,2]=4 6595 B10R1.153 CCC(O)COCC1CC1 34a_100000211283_100011218378 [0,0,0,1,0,0|1,0,2]=4 6596 B10R1.153 CCC(O)CSCC1CC1 62a_100000756562_100011218378 [0,0,0,1,0,0|1,0,2]=4 6597 B10R1.153 CCC(O)CSCC1CC1 62a_100011218378_100000742324 [0,0,0,1,0,0|1,0,2]=4 6598 B10R1.153 CCN(C)CCCC1CO1 2230a_100000225621_100000733510 [0,0,0,1,0,0|3,0,0]=4 6599 B10R1.153 CCN(C)CCCC1CO1 269982a_100000225621_100000733510 [0,0,0,1,0,0|3,0,0]=4 6600 B10R1.153 CC[C@H](C)CNCC1CC1 2230a_100000735609_100009816398 [0,0,0,1,0,0|2,0,1]=4 6601 B10R1.153 CC[C@H](C)CNCC1CC1 34a_100000735609_100009816398 [0,0,0,1,0,0|2,0,1]=4 6602 B10R1.153 CC[C@H](C)COCC1CC1 34a_100000211283_100009816398 [0,0,0,1,0,0|2,0,1]=4 6603 B10R1.153 CC[C@H](C)COCC1CC1 7a_100009816381_100000742324 [0,0,0,1,0,0|2,0,1]=4 6604 B10R1.153 CC[C@H](C)CSCC1CC1 62a_100000756562_100009816398 [0,0,0,1,0,0|2,0,1]=4 6605 B10R1.153 CC[C@H](C)CSCC1CC1 62a_100009816398_100000742324 [0,0,0,1,0,0|2,0,1]=4 6606 B10R1.153 CNC(=O)CCNC1CC1 34a_100000212008_100012179268 [0,0,0,1,0,0|2,0,0]=3 6607 B10R1.153 CNC(=O)CCNC1CC1 34a_100000738227_100000211595 [0,0,0,1,0,0|2,0,0]=3 6608 B10R1.153 CNC(=O)CCOC1CC1 34a_100000754576_100000211595 [0,0,0,1,0,0|2,0,0]=3 6609 B10R1.153 CNC(=O)CCSC1CC1 62a_100000737683_100000211595 [0,0,0,1,0,0|2,0,0]=3 6610 B10R1.153 CNC(=O)CNCC1CC1 2230a_100000693194_100000742324 [0,0,0,1,0,0|2,0,0]=3 6611 B10R1.153 CNC(=O)CNCC1CC1 2230a_100000735609_100000183359 [0,0,0,1,0,0|2,0,0]=3 6612 B10R1.153 CNC(=O)CNCC1CC1 269862a_100000693194_100000741477 [0,0,0,1,0,0|2,0,0]=3 6613 B10R1.153 CNC(=O)CNCC1CC1 34a_100000735609_100000183359 [0,0,0,1,0,0|2,0,0]=3 6614 B10R1.153 CNC(=O)CNCC1CO1 2230a_100000693194_100011216344 [0,0,0,1,0,0|3,0,0]=4 6615 B10R1.153 CNC(=O)COCC1CC1 34a_100000211283_100000183359 [0,0,0,1,0,0|2,0,0]=3 6616 B10R1.153 CNC(=O)COCC1CC1 34a_100000750040_100000742324 [0,0,0,1,0,0|2,0,0]=3 6617 B10R1.153 CNC(=O)COCC1CO1 34a_100000750040_102125554688 [0,0,0,1,0,0|3,0,0]=4 6618 B10R1.153 CNC(=O)COC[C@@H]1CO1 34a_100000757423_100000183359 [0,0,0,1,0,0|3,0,0]=4 6619 B10R1.153 CNC(=O)CSCC1CC1 11a_106832991635_200011316215 [0,0,0,1,0,0|2,0,0]=3 6620 B10R1.153 CNC(=O)CSCC1CC1 1626a_100102657272_200011316215 [0,0,0,1,0,0|2,0,0]=3 6621 B10R1.153 CNC(=O)CSCC1CC1 240690a_100102657272_200011316215 [0,0,0,1,0,0|2,0,0]=3 6622 B10R1.153 CNC(=O)CSCC1CC1 527a_100102657272_200011316215 [0,0,0,1,0,0|2,0,0]=3 6623 B10R1.153 CNC(=O)CSCC1CC1 62a_100000183359_100000742324 [0,0,0,1,0,0|2,0,0]=3 6624 B10R1.153 CNC(=O)CSCC1CC1 62a_100000756562_100000183359 [0,0,0,1,0,0|2,0,0]=3 6625 B10R1.153 CNC(=O)CSCC1CO1 62a_100000183359_102125554688 [0,0,0,1,0,0|3,0,0]=4 6626 B10R1.153 CNC(=O)CSCC1CO1 62a_102125554688_100000183359 [0,0,0,1,0,0|3,0,0]=4 6627 B10R1.153 CNC(=O)CSCC1CS1 62a_100000031435_100000183359 [0,0,0,1,0,0|3,0,0]=4 6628 B10R1.153 CNC(=O)CSCC1CS1 62a_100000183359_100000031435 [0,0,0,1,0,0|3,0,0]=4 6629 B10R1.153 CNC(=O)CSC[C@@H]1CO1 62a_100000183359_100000745022 [0,0,0,1,0,0|3,0,0]=4 6630 B10R1.153 CNC(=O)CSC[C@@H]1CO1 62a_100000745022_100000183359 [0,0,0,1,0,0|3,0,0]=4 6631 B10R1.153 CNC(=O)NCCC1CC1 2708a_100000764129_106832991635 [0,0,0,1,0,0|2,0,0]=3 6632 B10R1.153 CNC(=O)NCCC1CC1 2708a_100102657272_100000764129 [0,0,0,1,0,0|2,0,0]=3 6633 B10R1.153 CNC(=O)NCCC1CC1 273464a_100000764129_100102657272 [0,0,0,1,0,0|2,0,0]=3 6634 B10R1.153 CNC(=O)NCCC1CC1 273464a_100102657272_100000764129 [0,0,0,1,0,0|2,0,0]=3 6635 B10R1.153 CNC(=O)NCCC1CC1 512a_100000764129_100102657272 [0,0,0,1,0,0|2,0,0]=3 6636 B10R1.153 CNC(=O)NCCC1CC1 512a_106832991638_100000764129 [0,0,0,1,0,0|2,0,0]=3 6637 B10R1.153 CNC(=O)NNCC1CC1 273464a_100102657272_100000736359 [0,0,0,1,0,0|3,0,0]=4 6638 B10R1.153 CNC(=O)NNCC1CC1 512a_100000736359_100102657272 [0,0,0,1,0,0|3,0,0]=4 6639 B10R1.153 CNC(=O)NNCC1CC1 512a_106832991638_100000736359 [0,0,0,1,0,0|3,0,0]=4 6640 B10R1.153 COC(=O)CCNC1CC1 34a_100000212008_100000742370 [0,0,0,1,0,0|2,0,0]=3 6641 B10R1.153 COC(=O)CCSC1CC1 62a_100000204255_100000211595 [0,0,0,1,0,0|2,0,0]=3 6642 B10R1.153 COC(=O)CNCC1CC1 2230a_100000735609_100000747449 [0,0,0,1,0,0|2,0,0]=3 6643 B10R1.153 COC(=O)CNCC1CC1 34a_100000735609_100000747449 [0,0,0,1,0,0|2,0,0]=3 6644 B10R1.153 COC(=O)COCC1CC1 34a_100000211283_100000747449 [0,0,0,1,0,0|2,0,0]=3 6645 B10R1.153 COC(=O)COC[C@@H]1CO1 34a_100000757423_100000747449 [0,0,0,1,0,0|3,0,0]=4 6646 B10R1.153 COC(=O)CSCC1CC1 62a_100000747449_100000742324 [0,0,0,1,0,0|2,0,0]=3 6647 B10R1.153 COC(=O)CSCC1CC1 62a_100000756562_100000747449 [0,0,0,1,0,0|2,0,0]=3 6648 B10R1.153 COC(=O)CSCC1CO1 62a_100000747449_102125554688 [0,0,0,1,0,0|3,0,0]=4 6649 B10R1.153 COC(=O)CSCC1CO1 62a_102125554688_100000747449 [0,0,0,1,0,0|3,0,0]=4 6650 B10R1.153 COC(=O)CSCC1CS1 62a_100000031435_100000747449 [0,0,0,1,0,0|3,0,0]=4 6651 B10R1.153 COC(=O)CSCC1CS1 62a_100000747449_100000031435 [0,0,0,1,0,0|3,0,0]=4 6652 B10R1.153 COC(=O)CSC[C@@H]1CO1 62a_100000745022_100000747449 [0,0,0,1,0,0|3,0,0]=4 6653 B10R1.153 COC(=O)CSC[C@@H]1CO1 62a_100000747449_100000745022 [0,0,0,1,0,0|3,0,0]=4 6654 B10R1.153 O=C(CF)CSCC1CC1 1458a_200011316215_100015361967 [0,0,0,1,0,0|2,0,0]=3 6655 B10R1.153 O=C(CO)CC#CC1CC1 1458a_100000210174_100009895102 [0,0,0,1,0,0|1,0,2]=4 6656 B10R1.153 O=C(CO)CCCC1CO1 1458a_100000210174_100000733510 [0,0,0,1,0,0|2,0,0]=3 6657 B10R1.153 O=C(CO)NCCC1CC1 240690a_100000764129_100000210174 [0,0,0,1,0,0|2,0,0]=3 6658 B10R1.153 O=C(CO)NCCC1CC1 527a_100000764129_100000210174 [0,0,0,1,0,0|2,0,0]=3 6659 B10R1.153 O=C(CO)NNCC1CC1 22a_100000736359_100000210174 [0,0,0,1,0,0|3,0,0]=4 6660 B10R1.161 CCN1CCCCCCC1 2230a_100000211400_100000210202 [0,0,0,1,0,0|2,0,0]=3 6661 B10R1.161 CCN1CCCCCCC1 269982a_100000211400_100000204670 [0,0,0,1,0,0|2,0,0]=3 6662 B10R1.161 CCN1CCCCCCC1 34a_100000211400_100000210202 [0,0,0,1,0,0|2,0,0]=3 6663 B10R1.161 CNC1CCCCCCC1 2230a_100000211152_200000210301 [0,0,0,1,0,0|2,0,1]=4 6664 B10R1.161 CNC1CCCCCCC1 270004a_106832991635_100000210524 [0,0,0,1,0,0|2,0,1]=4 6665 B10R1.161 CNC1CCCCCCC1 34a_100000211152_200000210301 [0,0,0,1,0,0|2,0,1]=4 6666 B10R1.161 COC1CCCCCCC1 34a_100000210054_200000210301 [0,0,0,1,0,0|2,0,1]=4 6667 B10R1.161 COC1CCCCCCC1 7a_100000210054_200000210301 [0,0,0,1,0,0|2,0,1]=4 6668 B10R1.161 FCN1CCCCCCC1 269982a_100000211400_100015361967 [0,0,0,1,0,0|3,0,0]=4 6669 B10R1.161 FCN1CCCCCCC1 34a_100000211400_100015361967 [0,0,0,1,0,0|3,0,0]=4 6670 B10R1.161 [13CH3]NC1CCCCCCC1 2230a_100000211152_200025704644 [0,0,0,1,0,0|2,0,1]=4 6671 B10R1.161 [13CH3]NC1CCCCCCC1 34a_100000211152_200025704644 [0,0,0,1,0,0|2,0,1]=4 6672 B10R1.161 [13CH3]OC1CCCCCCC1 34a_100000210054_200025704644 [0,0,0,1,0,0|2,0,1]=4 6673 B10R1.161 [13CH3]OC1CCCCCCC1 7a_100000210054_200025704644 [0,0,0,1,0,0|2,0,1]=4 6674 B10R1.162 CCN1CCCCC(C1)O 2230a_100025706797_100000210202 [0,0,0,1,0,0|3,0,0]=4 6675 B10R1.162 CCN1CCCCC(C1)O 269982a_100025706797_100000204670 [0,0,0,1,0,0|3,0,0]=4 6676 B10R1.172 CCC1CCCC(C1)NC 270004a_106832991635_100000756783 [0,0,0,1,0,0|2,0,1]=4 6677 B10R1.172 CCC1CCCC(C1)OC 7a_100011985506_200000210301 [0,0,0,1,0,0|2,0,1]=4 6678 B10R1.172 CCC1CCCC(C1)O[13CH3] 7a_100011985506_200025704644 [0,0,0,1,0,0|2,0,1]=4 6679 B10R1.172 CCC1CN(CCO1)CC 2230a_100000736320_100000210202 [0,0,0,1,0,0|3,0,0]=4 6680 B10R1.172 CCC1CN(CCO1)CC 269982a_100000736320_100000204670 [0,0,0,1,0,0|3,0,0]=4 6681 B10R1.172 CCC1CN(CCO1)CC 34a_100000736320_100000210202 [0,0,0,1,0,0|3,0,0]=4 6682 B10R1.172 CCN1CCCC(C1)CF 2230a_100016992999_100000210202 [0,0,0,1,0,0|3,0,0]=4 6683 B10R1.172 CCN1CCCC(C1)CF 269982a_100016992999_100000204670 [0,0,0,1,0,0|3,0,0]=4 6684 B10R1.172 CCN1CCCC(C1)CF 34a_100016992999_100000210202 [0,0,0,1,0,0|3,0,0]=4 6685 B10R1.172 CCN1CCCC(C1)CO 2230a_100000211344_100000210202 [0,0,0,1,0,0|3,0,0]=4 6686 B10R1.172 CCN1CCCC(C1)CO 269982a_100000211344_100000204670 [0,0,0,1,0,0|3,0,0]=4 6687 B10R1.172 CCN1CCCC(C1)CO 34a_100000211344_100000210202 [0,0,0,1,0,0|3,0,0]=4 6688 B10R1.172 CCN1CCCC(C1)OC 2230a_100000695604_100000210202 [0,0,0,1,0,0|3,0,0]=4 6689 B10R1.172 CCN1CCCC(C1)OC 269982a_100000695604_100000204670 [0,0,0,1,0,0|3,0,0]=4 6690 B10R1.172 CCN1CCCC(C1)OC 34a_100000695604_100000210202 [0,0,0,1,0,0|3,0,0]=4 6691 B10R1.172 CCN1CCC[C@H](C1)NC 2230a_100025775482_200000210301 [0,0,0,1,0,0|3,0,0]=4 6692 B10R1.172 CCN1CCC[C@H](C1)N[13CH3] 2230a_100025775482_200025704644 [0,0,0,1,0,0|3,0,0]=4 6693 B10R1.175 CCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000210202 [0,0,0,1,0,0|2,0,0]=3 6694 B10R1.175 CCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000204670 [0,0,0,1,0,0|2,0,0]=3 6695 B10R1.175 COC(=O)[C@@H]1CCN1CF 269982a_102516456887_100015361967 [0,0,0,1,0,0|3,0,0]=4 6696 B10R1.197 CCC1CCCN(CC1)C 2230a_100000757272_200000210301 [0,0,0,1,0,0|2,0,0]=3 6697 B10R1.197 CCC1CCCN(CC1)C 269982a_100000757272_200000210301 [0,0,0,1,0,0|2,0,0]=3 6698 B10R1.197 CCC1CCCN(CC1)C 34a_100000757272_200000210301 [0,0,0,1,0,0|2,0,0]=3 6699 B10R1.197 CCC1CCCN(CC1)[13CH3] 2230a_100000757272_200025704644 [0,0,0,1,0,0|2,0,0]=3 6700 B10R1.197 CCC1CCCN(CC1)[13CH3] 269982a_100000757272_200025704644 [0,0,0,1,0,0|2,0,0]=3 6701 B10R1.197 CCC1CCCN(CC1)[13CH3] 34a_100000757272_200025704644 [0,0,0,1,0,0|2,0,0]=3 6702 B10R1.197 CCN1CCCC(CC1)C 2230a_100025706717_100000210202 [0,0,0,1,0,0|2,0,1]=4 6703 B10R1.197 CCN1CCCC(CC1)C 269982a_100025706717_100000204670 [0,0,0,1,0,0|2,0,1]=4 6704 B10R1.197 CCN1CCCC(CC1)C 34a_100025706717_100000210202 [0,0,0,1,0,0|2,0,1]=4 6705 B10R1.197 CCN1CCCC(CC1)O 2230a_100015186869_100000210202 [0,0,0,1,0,0|1,0,2]=4 6706 B10R1.197 CCN1CCCC(CC1)O 269982a_100015186869_100000204670 [0,0,0,1,0,0|1,0,2]=4 6707 B10R1.197 CCN1CCCN(CC1)C 2230a_100000211313_100000210202 [0,0,0,1,0,0|3,0,0]=4 6708 B10R1.197 CCN1CCCN(CC1)C 2230a_100000748291_200000210301 [0,0,0,1,0,0|3,0,0]=4 6709 B10R1.197 CCN1CCCN(CC1)C 269982a_100000211313_100000204670 [0,0,0,1,0,0|3,0,0]=4 6710 B10R1.197 CCN1CCCN(CC1)C 269982a_100000748291_200000210301 [0,0,0,1,0,0|3,0,0]=4 6711 B10R1.197 CCN1CCCN(CC1)[13CH3] 2230a_100000748291_200025704644 [0,0,0,1,0,0|3,0,0]=4 6712 B10R1.197 CCN1CCCN(CC1)[13CH3] 269982a_100000748291_200025704644 [0,0,0,1,0,0|3,0,0]=4 6713 B10R1.197 CCN1CCNC(=O)CC1 2230a_100000698595_100000210202 [0,0,0,1,0,0|2,0,0]=3 6714 B10R1.197 CCN1CCNC(=O)CC1 269982a_100000698595_100000204670 [0,0,0,1,0,0|2,0,0]=3 6715 B10R1.197 COC1CCCN(CC1)C 2230a_100016993962_200000210301 [0,0,0,1,0,0|3,0,0]=4 6716 B10R1.197 COC1CCCN(CC1)C 269982a_100016993962_200000210301 [0,0,0,1,0,0|3,0,0]=4 6717 B10R1.197 COC1CCCN(CC1)C 34a_100016993962_200000210301 [0,0,0,1,0,0|3,0,0]=4 6718 B10R1.197 COC1CCCN(CC1)[13CH3] 2230a_100016993962_200025704644 [0,0,0,1,0,0|3,0,0]=4 6719 B10R1.197 COC1CCCN(CC1)[13CH3] 269982a_100016993962_200025704644 [0,0,0,1,0,0|3,0,0]=4 6720 B10R1.197 COC1CCCN(CC1)[13CH3] 34a_100016993962_200025704644 [0,0,0,1,0,0|3,0,0]=4 6721 B10R1.197 O=C1CCN(CCN1)CF 269982a_100000698595_100015361967 [0,0,0,1,0,0|3,0,0]=4 6722 B10R1.206 CCC(C)OCC1CC1C 34a_100000744939_100011215416 [0,0,0,1,0,0|2,0,1]=4 6723 B10R1.206 CCC(C)OCC1CC1C 7a_100000744939_100000758301 [0,0,0,1,0,0|2,0,1]=4 6724 B10R1.206 CNC(=O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100000183359 [0,0,0,1,0,0|3,0,0]=4 6725 B10R1.206 CNC(=O)CN[C@@H]1C[C@H]1F 2230a_100025746932_100000183359 [0,0,0,1,0,0|3,0,0]=4 6726 B10R1.206 CNC(=O)CN[C@@H]1C[C@H]1F 34a_100025746932_100000183359 [0,0,0,1,0,0|3,0,0]=4 6727 B10R1.206 COC(=O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100000747449 [0,0,0,1,0,0|3,0,0]=4 6728 B10R1.206 COC(=O)CN[C@@H]1C[C@H]1F 2230a_100025746932_100000747449 [0,0,0,1,0,0|3,0,0]=4 6729 B10R1.206 COC(=O)CN[C@@H]1C[C@H]1F 34a_100025746932_100000747449 [0,0,0,1,0,0|3,0,0]=4 6730 B10R1.217 CCCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000210211 [0,0,0,1,0,0|1,0,2]=4 6731 B10R1.217 CCCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000210211 [0,0,0,1,0,0|1,0,2]=4 6732 B10R1.232 CC1(CCCCCC1)N[13CH3] 2230a_100000704638_200025704644 [0,0,0,1,0,0|2,0,1]=4 6733 B10R1.232 CC1(CCCCCC1)N[13CH3] 34a_100000704638_200025704644 [0,0,0,1,0,0|2,0,1]=4 6734 B10R1.232 CC1(CCCCCC1)O[13CH3] 34a_100000708895_200025704644 [0,0,0,1,0,0|2,0,1]=4 6735 B10R1.232 CC1(CCCCCC1)O[13CH3] 7a_100000708895_200025704644 [0,0,0,1,0,0|2,0,1]=4 6736 B10R1.232 CNC1(CCCCCC1)C 2230a_100000704638_200000210301 [0,0,0,1,0,0|2,0,1]=4 6737 B10R1.232 CNC1(CCCCCC1)C 34a_100000704638_200000210301 [0,0,0,1,0,0|2,0,1]=4 6738 B10R1.232 COC1(CCCCCC1)C 34a_100000708895_200000210301 [0,0,0,1,0,0|2,0,1]=4 6739 B10R1.232 COC1(CCCCCC1)C 7a_100000708895_200000210301 [0,0,0,1,0,0|2,0,1]=4 6740 B10R1.463 CCC(=O)CN1CCC1C 269982a_100000755817_100000747405 [0,0,0,1,0,0|1,0,0]=2 6741 B10R1.463 CCC(C)CN1CCC1C 269982a_100000755817_100000748023 [0,0,0,1,0,0|2,0,1]=4 6742 B10R1.463 CCC(C)CN1CCC1C 34a_100000755817_100000748023 [0,0,0,1,0,0|2,0,1]=4 6743 B10R1.463 CCC(O)CN1CCC1C 269982a_100000755817_100011218378 [0,0,0,1,0,0|1,0,2]=4 6744 B10R1.463 CCC(O)CN1CCC1C 34a_100000755817_100011218378 [0,0,0,1,0,0|1,0,2]=4 6745 B10R1.463 CC[C@H](C)CN1CCC1C 269982a_100000755817_100009816398 [0,0,0,1,0,0|2,0,1]=4 6746 B10R1.463 CC[C@H](C)CN1CCC1C 34a_100000755817_100009816398 [0,0,0,1,0,0|2,0,1]=4 6747 B10R1.463 CNC(=O)CN1CCC1C 269982a_100000755817_100000183359 [0,0,0,1,0,0|2,0,0]=3 6748 B10R1.463 CNC(=O)CN1CCC1C 34a_100000755817_100000183359 [0,0,0,1,0,0|2,0,0]=3 6749 B10R1.463 COC(=O)CN1CCC1C 269982a_100000755817_100000747449 [0,0,0,1,0,0|2,0,0]=3 6750 B10R1.463 COC(=O)CN1CCC1C 34a_100000755817_100000747449 [0,0,0,1,0,0|2,0,0]=3 6751 B7R0.1 C/C=C/CCOCC 34a_100016278192_100000210202 [2,0,0,0,0,0|1,0,1]=4 6752 B7R0.1 C/C=C/COCCC 34a_100000210258_100102629194 [2,0,0,0,0,0|1,0,1]=4 6753 B7R0.1 C/C=C/COCCC 34a_100016270725_100000210303 [2,0,0,0,0,0|1,0,1]=4 6754 B7R0.1 C/C=C/CSCCC 62a_100000210303_100102629194 [2,0,0,0,0,0|1,0,1]=4 6755 B7R0.1 C/C=C/CSCCC 62a_100102629194_100000210303 [2,0,0,0,0,0|1,0,1]=4 6756 B7R0.1 C=CCCCCNC 2230a_100000703577_200000210301 [2,0,0,0,0,0|1,0,1]=4 6757 B7R0.1 C=CCCCCNC 2230a_106832991635_100011215482 [2,0,0,0,0,0|1,0,1]=4 6758 B7R0.1 C=CCCCCNC 34a_100000703577_200000210301 [2,0,0,0,0,0|1,0,1]=4 6759 B7R0.1 C=CCCCCNC 34a_100102657272_100011215482 [2,0,0,0,0,0|1,0,1]=4 6760 B7R0.1 C=CCCCCNC 7a_106832991635_100011215482 [2,0,0,0,0,0|1,0,1]=4 6761 B7R0.1 C=CCCCCN[13CH3] 2230a_100000703577_200025704644 [2,0,0,0,0,0|1,0,1]=4 6762 B7R0.1 C=CCCCCN[13CH3] 34a_100000703577_200025704644 [2,0,0,0,0,0|1,0,1]=4 6763 B7R0.1 C=CCCCCOC 34a_100000766645_200000210301 [2,0,0,0,0,0|1,0,1]=4 6764 B7R0.1 C=CCCCCOC 34a_100138415774_100011215482 [2,0,0,0,0,0|1,0,1]=4 6765 B7R0.1 C=CCCCCOC 7a_100000766645_200000210301 [2,0,0,0,0,0|1,0,1]=4 6766 B7R0.1 C=CCCCCO[13CH3] 34a_100000766645_200025704644 [2,0,0,0,0,0|1,0,1]=4 6767 B7R0.1 C=CCCCCO[13CH3] 7a_100000766645_200025704644 [2,0,0,0,0,0|1,0,1]=4 6768 B7R0.1 C=CCCCCSC 62a_100011215482_200000210301 [2,0,0,0,0,0|1,0,1]=4 6769 B7R0.1 C=CCCCCSC 62a_200000210301_100011215482 [2,0,0,0,0,0|1,0,1]=4 6770 B7R0.1 C=CCCCCS[13CH3] 62a_100011215482_200025704644 [2,0,0,0,0,0|1,0,1]=4 6771 B7R0.1 C=CCCCCS[13CH3] 62a_200025704644_100011215482 [2,0,0,0,0,0|1,0,1]=4 6772 B7R0.1 C=CCCCNCC 2230a_100000700776_100000210202 [2,0,0,0,0,0|1,0,1]=4 6773 B7R0.1 C=CCCCNCC 2230a_100015525214_100011713584 [2,0,0,0,0,0|1,0,1]=4 6774 B7R0.1 C=CCCCNCC 34a_100000700776_100000210202 [2,0,0,0,0,0|1,0,1]=4 6775 B7R0.1 C=CCCCOCC 34a_100000758997_100000210202 [2,0,0,0,0,0|1,0,1]=4 6776 B7R0.1 C=CCCCOCC 34a_100121572206_100000757094 [2,0,0,0,0,0|1,0,1]=4 6777 B7R0.1 C=CCCCOCC 7a_100000758997_100000210202 [2,0,0,0,0,0|1,0,1]=4 6778 B7R0.1 C=CCCCSCC 62a_100000210202_100000757094 [2,0,0,0,0,0|1,0,1]=4 6779 B7R0.1 C=CCCCSCC 62a_100011713584_100000210202 [2,0,0,0,0,0|1,0,1]=4 6780 B7R0.1 C=CCCNCCC 2230a_100015191253_100000210303 [2,0,0,0,0,0|1,0,1]=4 6781 B7R0.1 C=CCCOCCC 34a_100000210258_100000754431 [2,0,0,0,0,0|1,0,1]=4 6782 B7R0.1 C=CCCOCCC 34a_100011205117_100000210303 [2,0,0,0,0,0|1,0,1]=4 6783 B7R0.1 C=CCCSCCC 62a_100000210303_100000754431 [2,0,0,0,0,0|1,0,1]=4 6784 B7R0.1 C=CCCSCCC 62a_100000754431_100000210303 [2,0,0,0,0,0|1,0,1]=4 6785 B7R0.1 C=CCNCCCC 2230a_100000102301_100000210623 [2,0,0,0,0,0|1,0,1]=4 6786 B7R0.1 C=CCNCCCC 2230a_100020586998_100000210211 [2,0,0,0,0,0|1,0,1]=4 6787 B7R0.1 C=CCNCCCC 7a_106832991798_100015514636 [2,0,0,0,0,0|1,0,1]=4 6788 B7R0.1 C=CCOCCCC 34a_100000210227_100015514636 [2,0,0,0,0,0|1,0,1]=4 6789 B7R0.1 C=CCOCCCC 34a_200000210373_100000210210 [2,0,0,0,0,0|1,0,1]=4 6790 B7R0.1 C=CCOCCCC 7a_100000210227_100015514636 [2,0,0,0,0,0|1,0,1]=4 6791 B7R0.1 C=CCSCCCC 62a_100000210211_100000210623 [2,0,0,0,0,0|1,0,1]=4 6792 B7R0.1 C=CCSCCCC 62a_100000210623_100000210210 [2,0,0,0,0,0|1,0,1]=4 6793 B7R0.1 CC/C=C\CCNC 2230a_106832991635_100015370543 [2,0,0,0,0,0|1,0,1]=4 6794 B7R0.1 CC/C=C\CCNC 34a_100102657272_100015370543 [2,0,0,0,0,0|1,0,1]=4 6795 B7R0.1 CC/C=C\CCNC 7a_106832991635_100015370543 [2,0,0,0,0,0|1,0,1]=4 6796 B7R0.1 CC/C=C\CCOC 34a_100016288707_200000210301 [2,0,0,0,0,0|1,0,1]=4 6797 B7R0.1 CC/C=C\CCOC 34a_100138415774_100015370543 [2,0,0,0,0,0|1,0,1]=4 6798 B7R0.1 CC/C=C\CCOC 7a_100016288707_200000210301 [2,0,0,0,0,0|1,0,1]=4 6799 B7R0.1 CC/C=C\CCO[13CH3] 34a_100016288707_200025704644 [2,0,0,0,0,0|1,0,1]=4 6800 B7R0.1 CC/C=C\CCO[13CH3] 7a_100016288707_200025704644 [2,0,0,0,0,0|1,0,1]=4 6801 B7R0.1 CC/C=C\CCSC 62a_100015370543_200000210301 [2,0,0,0,0,0|1,0,1]=4 6802 B7R0.1 CC/C=C\CCSC 62a_200000210301_100015370543 [2,0,0,0,0,0|1,0,1]=4 6803 B7R0.1 CC/C=C\CCS[13CH3] 62a_100015370543_200025704644 [2,0,0,0,0,0|1,0,1]=4 6804 B7R0.1 CC/C=C\CCS[13CH3] 62a_200025704644_100015370543 [2,0,0,0,0,0|1,0,1]=4 6805 B7R0.1 CC/C=C\CNCC 2230a_100015525214_100103147603 [2,0,0,0,0,0|1,0,1]=4 6806 B7R0.1 CC/C=C\COCC 34a_100016268518_100000210202 [2,0,0,0,0,0|1,0,1]=4 6807 B7R0.1 CC/C=C\COCC 34a_100121572206_100103147603 [2,0,0,0,0,0|1,0,1]=4 6808 B7R0.1 CC/C=C\CSCC 62a_100000210202_100103147603 [2,0,0,0,0,0|1,0,1]=4 6809 B7R0.1 CC/C=C\CSCC 62a_100103147603_100000210202 [2,0,0,0,0,0|1,0,1]=4 6810 B7R0.1 CC=CCCCOC 34a_100020645299_200000210301 [2,0,0,0,0,0|1,0,1]=4 6811 B7R0.1 CC=CCCCO[13CH3] 34a_100020645299_200025704644 [2,0,0,0,0,0|1,0,1]=4 6812 B7R0.1 CC=CCOCCC 34a_100000210258_100000070051 [2,0,0,0,0,0|1,0,1]=4 6813 B7R0.1 CC=CCSCCC 62a_100000070051_100000210303 [2,0,0,0,0,0|1,0,1]=4 6814 B7R0.1 CC=CCSCCC 62a_100000210303_100000070051 [2,0,0,0,0,0|1,0,1]=4 6815 B7R0.1 CC=NNCCCC 4a_100025702795_200000210099 [2,0,0,0,0,0|2,0,0]=4 6816 B7R0.1 CCC=NNCCC 4a_100000740057_100000210100 [2,0,0,0,0,0|2,0,0]=4 6817 B7R0.1 CCCCCCNC 2230a_100000210581_200000210301 [2,0,0,0,0,0|1,0,0]=3 6818 B7R0.1 CCCCCCNC 2230a_106832991635_100000210314 [2,0,0,0,0,0|1,0,0]=3 6819 B7R0.1 CCCCCCNC 34a_100102657272_100000210314 [2,0,0,0,0,0|1,0,0]=3 6820 B7R0.1 CCCCCCNC 7a_106832991635_100000210314 [2,0,0,0,0,0|1,0,0]=3 6821 B7R0.1 CCCCCCN[13CH3] 2230a_100000210581_200025704644 [2,0,0,0,0,0|1,0,0]=3 6822 B7R0.1 CCCCCCOC 34a_100000210259_200000210301 [2,0,0,0,0,0|1,0,0]=3 6823 B7R0.1 CCCCCCOC 34a_100138415774_100000210314 [2,0,0,0,0,0|1,0,0]=3 6824 B7R0.1 CCCCCCOC 7a_100000210259_200000210301 [2,0,0,0,0,0|1,0,0]=3 6825 B7R0.1 CCCCCCO[13CH3] 34a_100000210259_200025704644 [2,0,0,0,0,0|1,0,0]=3 6826 B7R0.1 CCCCCCO[13CH3] 7a_100000210259_200025704644 [2,0,0,0,0,0|1,0,0]=3 6827 B7R0.1 CCCCCCSC 62a_100000210314_200000210301 [2,0,0,0,0,0|1,0,0]=3 6828 B7R0.1 CCCCCCSC 62a_200000210301_100000210757 [2,0,0,0,0,0|1,0,0]=3 6829 B7R0.1 CCCCCCS[13CH3] 62a_100000210314_200025704644 [2,0,0,0,0,0|1,0,0]=3 6830 B7R0.1 CCCCCCS[13CH3] 62a_200025704644_100000210757 [2,0,0,0,0,0|1,0,0]=3 6831 B7R0.1 CCCCCNCC 2230a_100000209983_100000210202 [2,0,0,0,0,0|1,0,0]=3 6832 B7R0.1 CCCCCNCC 2230a_100015525214_100000210326 [2,0,0,0,0,0|1,0,0]=3 6833 B7R0.1 CCCCCOCC 34a_100000210253_100000210202 [2,0,0,0,0,0|1,0,0]=3 6834 B7R0.1 CCCCCOCC 34a_100121572206_100000718602 [2,0,0,0,0,0|1,0,0]=3 6835 B7R0.1 CCCCCOCC 7a_100000210253_100000210202 [2,0,0,0,0,0|1,0,0]=3 6836 B7R0.1 CCCCCOCF 34a_100000210253_100015361967 [2,0,0,0,0,0|2,0,0]=4 6837 B7R0.1 CCCCCOCF 7a_100000210253_100015361967 [2,0,0,0,0,0|2,0,0]=4 6838 B7R0.1 CCCCCSCC 62a_100000210202_100000210326 [2,0,0,0,0,0|1,0,0]=3 6839 B7R0.1 CCCCCSCC 62a_100000210326_100000210202 [2,0,0,0,0,0|1,0,0]=3 6840 B7R0.1 CCCCCSCF 62a_100000210326_100015361967 [2,0,0,0,0,0|2,0,0]=4 6841 B7R0.1 CCCCCSCF 62a_100015361967_100000210326 [2,0,0,0,0,0|2,0,0]=4 6842 B7R0.1 CCCCNCC=O 2230a_100000102301_200015260668 [2,0,0,0,0,0|1,0,0]=3 6843 B7R0.1 CCCCNCC=O 7a_106832991798_200015260668 [2,0,0,0,0,0|1,0,0]=3 6844 B7R0.1 CCCCNCCC 2230a_100000102301_100000210303 [2,0,0,0,0,0|1,0,0]=3 6845 B7R0.1 CCCCNCCC 7a_106832991798_100000210303 [2,0,0,0,0,0|1,0,0]=3 6846 B7R0.1 CCCCNCCF 2230a_100000102301_100011217306 [2,0,0,0,0,0|2,0,0]=4 6847 B7R0.1 CCCCNCCF 34a_100000724931_100000210210 [2,0,0,0,0,0|2,0,0]=4 6848 B7R0.1 CCCCNCCF 7a_106832991798_100011217306 [2,0,0,0,0,0|2,0,0]=4 6849 B7R0.1 CCCCNCCO 2230a_100000102301_100000211926 [2,0,0,0,0,0|2,0,0]=4 6850 B7R0.1 CCCCNCCO 2230a_100016997473_100000210211 [2,0,0,0,0,0|2,0,0]=4 6851 B7R0.1 CCCCNCCO 34a_100016990907_100000210210 [2,0,0,0,0,0|2,0,0]=4 6852 B7R0.1 CCCCNCCO 7a_106832991798_100000211926 [2,0,0,0,0,0|2,0,0]=4 6853 B7R0.1 CCCCNCOC 2230a_100000102301_100000766300 [2,0,0,0,0,0|2,0,0]=4 6854 B7R0.1 CCCCNCSC 2230a_100000102301_100011218213 [2,0,0,0,0,0|2,0,0]=4 6855 B7R0.1 CCCCOCC=O 34a_100000210227_200009817547 [2,0,0,0,0,0|1,0,0]=3 6856 B7R0.1 CCCCOCC=O 7a_100000210227_200015260668 [2,0,0,0,0,0|1,0,0]=3 6857 B7R0.1 CCCCOCCBr 34a_100000211926_100000210210 [2,0,0,0,0,0|2,0,0]=4 6858 B7R0.1 CCCCOCCC 34a_100000210227_100000210303 [2,0,0,0,0,0|1,0,0]=3 6859 B7R0.1 CCCCOCCC 34a_100000210258_100000210210 [2,0,0,0,0,0|1,0,0]=3 6860 B7R0.1 CCCCOCCC 7a_100000210227_100000210303 [2,0,0,0,0,0|1,0,0]=3 6861 B7R0.1 CCCCOCCF 34a_100000210227_100011217306 [2,0,0,0,0,0|2,0,0]=4 6862 B7R0.1 CCCCOCCF 7a_100000210227_100011217306 [2,0,0,0,0,0|2,0,0]=4 6863 B7R0.1 CCCCOCCN 34a_100000210304_100000210210 [2,0,0,0,0,0|2,0,0]=4 6864 B7R0.1 CCCCOCCO 34a_100000210227_100000211926 [2,0,0,0,0,0|2,0,0]=4 6865 B7R0.1 CCCCOCCO 7a_100000210227_100000211926 [2,0,0,0,0,0|2,0,0]=4 6866 B7R0.1 CCCCOCNC 2230a_106832991635_100011995733 [2,0,0,0,0,0|2,0,0]=4 6867 B7R0.1 CCCCOCNC 34a_100102657272_100011995733 [2,0,0,0,0,0|2,0,0]=4 6868 B7R0.1 CCCCOCOC 34a_100138415774_100011995733 [2,0,0,0,0,0|2,0,0]=4 6869 B7R0.1 CCCCOCSC 34a_100000210227_100011218213 [2,0,0,0,0,0|2,0,0]=4 6870 B7R0.1 CCCCOCSC 62a_100011995733_200000210301 [2,0,0,0,0,0|2,0,0]=4 6871 B7R0.1 CCCCOCSC 62a_200000210301_100011995733 [2,0,0,0,0,0|2,0,0]=4 6872 B7R0.1 CCCCOCS[13CH3] 62a_100011995733_200025704644 [2,0,0,0,0,0|2,0,0]=4 6873 B7R0.1 CCCCOCS[13CH3] 62a_200025704644_100011995733 [2,0,0,0,0,0|2,0,0]=4 6874 B7R0.1 CCCCSCC=O 62a_100000210211_200015260668 [2,0,0,0,0,0|1,0,0]=3 6875 B7R0.1 CCCCSCC=O 62a_200015260668_100000210210 [2,0,0,0,0,0|1,0,0]=3 6876 B7R0.1 CCCCSCCC 62a_100000210211_100000210303 [2,0,0,0,0,0|1,0,0]=3 6877 B7R0.1 CCCCSCCC 62a_100000210303_100000210210 [2,0,0,0,0,0|1,0,0]=3 6878 B7R0.1 CCCCSCCF 62a_100000210211_100011217306 [2,0,0,0,0,0|2,0,0]=4 6879 B7R0.1 CCCCSCCF 62a_100011217306_100000210210 [2,0,0,0,0,0|2,0,0]=4 6880 B7R0.1 CCCCSCCO 62a_100000210211_100000211926 [2,0,0,0,0,0|2,0,0]=4 6881 B7R0.1 CCCCSCCO 62a_100000211926_100000210210 [2,0,0,0,0,0|2,0,0]=4 6882 B7R0.1 CCCCSCOC 62a_100000210211_100000766300 [2,0,0,0,0,0|2,0,0]=4 6883 B7R0.1 CCCCSCOC 62a_100000766300_100000210210 [2,0,0,0,0,0|2,0,0]=4 6884 B7R0.1 CCCCSCSC 62a_100000210211_100011218213 [2,0,0,0,0,0|2,0,0]=4 6885 B7R0.1 CCCCSCSC 62a_100011218213_100000210210 [2,0,0,0,0,0|2,0,0]=4 6886 B7R0.1 CCCNCCCF 2230a_100015189416_100000210303 [2,0,0,0,0,0|2,0,0]=4 6887 B7R0.1 CCCNCCCF 34a_100015189416_100000210303 [2,0,0,0,0,0|2,0,0]=4 6888 B7R0.1 CCCNCCOC 2230a_100000209980_100000210303 [2,0,0,0,0,0|2,0,0]=4 6889 B7R0.1 CCCNCCSC 2230a_100020590264_100000210303 [2,0,0,0,0,0|2,0,0]=4 6890 B7R0.1 CCCOCCCBr 34a_100011217188_100000210303 [2,0,0,0,0,0|2,0,0]=4 6891 B7R0.1 CCCOCCCCl 34a_100000230001_100000210303 [2,0,0,0,0,0|2,0,0]=4 6892 B7R0.1 CCCOCCCF 34a_100000210258_100011934791 [2,0,0,0,0,0|2,0,0]=4 6893 B7R0.1 CCCOCCCF 34a_100000759539_100000210303 [2,0,0,0,0,0|2,0,0]=4 6894 B7R0.1 CCCOCCCN 34a_100000182051_100000210303 [2,0,0,0,0,0|2,0,0]=4 6895 B7R0.1 CCCOCCCO 34a_100000210258_100000230001 [2,0,0,0,0,0|2,0,0]=4 6896 B7R0.1 CCCOCCNC 2230a_100161115042_200000210301 [2,0,0,0,0,0|2,0,0]=4 6897 B7R0.1 CCCOCCNC 2230a_106832991635_100011215938 [2,0,0,0,0,0|2,0,0]=4 6898 B7R0.1 CCCOCCNC 34a_100102657272_100011215938 [2,0,0,0,0,0|2,0,0]=4 6899 B7R0.1 CCCOCCNC 34a_100161115042_200000210301 [2,0,0,0,0,0|2,0,0]=4 6900 B7R0.1 CCCOCCNC 7a_106832991635_100011215938 [2,0,0,0,0,0|2,0,0]=4 6901 B7R0.1 CCCOCCN[13CH3] 2230a_100161115042_200025704644 [2,0,0,0,0,0|2,0,0]=4 6902 B7R0.1 CCCOCCN[13CH3] 34a_100161115042_200025704644 [2,0,0,0,0,0|2,0,0]=4 6903 B7R0.1 CCCOCCOC 34a_100000210237_100000210303 [2,0,0,0,0,0|2,0,0]=4 6904 B7R0.1 CCCOCCOC 34a_100000210258_100011201679 [2,0,0,0,0,0|2,0,0]=4 6905 B7R0.1 CCCOCCOC 34a_100000752267_200000210301 [2,0,0,0,0,0|2,0,0]=4 6906 B7R0.1 CCCOCCOC 34a_100138415774_100011215938 [2,0,0,0,0,0|2,0,0]=4 6907 B7R0.1 CCCOCCOC 7a_100000752267_200000210301 [2,0,0,0,0,0|2,0,0]=4 6908 B7R0.1 CCCOCCO[13CH3] 34a_100000752267_200025704644 [2,0,0,0,0,0|2,0,0]=4 6909 B7R0.1 CCCOCCO[13CH3] 7a_100000752267_200025704644 [2,0,0,0,0,0|2,0,0]=4 6910 B7R0.1 CCCOCCSC 34a_100000210258_100000212216 [2,0,0,0,0,0|2,0,0]=4 6911 B7R0.1 CCCOCCSC 34a_100000230434_100000210303 [2,0,0,0,0,0|2,0,0]=4 6912 B7R0.1 CCCOCCSC 62a_100011215938_200000210301 [2,0,0,0,0,0|2,0,0]=4 6913 B7R0.1 CCCOCCSC 62a_200000210301_100011215938 [2,0,0,0,0,0|2,0,0]=4 6914 B7R0.1 CCCOCCSC 7a_100000230434_100000210303 [2,0,0,0,0,0|2,0,0]=4 6915 B7R0.1 CCCOCCS[13CH3] 62a_100011215938_200025704644 [2,0,0,0,0,0|2,0,0]=4 6916 B7R0.1 CCCOCCS[13CH3] 62a_200025704644_100011215938 [2,0,0,0,0,0|2,0,0]=4 6917 B7R0.1 CCCSCCCF 62a_100000210303_100011934791 [2,0,0,0,0,0|2,0,0]=4 6918 B7R0.1 CCCSCCCF 62a_100011934791_100000210303 [2,0,0,0,0,0|2,0,0]=4 6919 B7R0.1 CCCSCCCO 62a_100000210303_100011215043 [2,0,0,0,0,0|2,0,0]=4 6920 B7R0.1 CCCSCCCO 62a_100011215043_100000210303 [2,0,0,0,0,0|2,0,0]=4 6921 B7R0.1 CCCSCCNC 2230a_100020603323_200000210301 [2,0,0,0,0,0|2,0,0]=4 6922 B7R0.1 CCCSCCN[13CH3] 2230a_100020603323_200025704644 [2,0,0,0,0,0|2,0,0]=4 6923 B7R0.1 CCCSCCOC 34a_200000230433_200000210301 [2,0,0,0,0,0|2,0,0]=4 6924 B7R0.1 CCCSCCOC 62a_100000210303_100000233755 [2,0,0,0,0,0|2,0,0]=4 6925 B7R0.1 CCCSCCOC 62a_100000233755_100000210303 [2,0,0,0,0,0|2,0,0]=4 6926 B7R0.1 CCCSCCOC 7a_200000230433_200000210301 [2,0,0,0,0,0|2,0,0]=4 6927 B7R0.1 CCCSCCO[13CH3] 34a_200000230433_200025704644 [2,0,0,0,0,0|2,0,0]=4 6928 B7R0.1 CCCSCCO[13CH3] 7a_200000230433_200025704644 [2,0,0,0,0,0|2,0,0]=4 6929 B7R0.1 CCCSCCSC 62a_100000210303_100000751147 [2,0,0,0,0,0|2,0,0]=4 6930 B7R0.1 CCCSCCSC 62a_100000212216_100000210303 [2,0,0,0,0,0|2,0,0]=4 6931 B7R0.1 CCCSCOCC 62a_100000210303_100000739092 [2,0,0,0,0,0|2,0,0]=4 6932 B7R0.1 CCCSCOCC 62a_100000739092_100000210303 [2,0,0,0,0,0|2,0,0]=4 6933 B7R0.1 CCNCCCC=O 2230a_100015525214_200011292268 [2,0,0,0,0,0|1,0,0]=3 6934 B7R0.1 CCNCCCCF 2230a_100015525214_100000729493 [2,0,0,0,0,0|2,0,0]=4 6935 B7R0.1 CCNCCCCO 2230a_100000750430_100000210202 [2,0,0,0,0,0|2,0,0]=4 6936 B7R0.1 CCNCCCCO 2230a_100015525214_100000210776 [2,0,0,0,0,0|2,0,0]=4 6937 B7R0.1 CCNCCCCO 34a_100000750430_100000210202 [2,0,0,0,0,0|2,0,0]=4 6938 B7R0.1 CCNCCCOC 2230a_100015525214_100000740836 [2,0,0,0,0,0|2,0,0]=4 6939 B7R0.1 CCNCCCOC 34a_100150723488_100000210202 [2,0,0,0,0,0|2,0,0]=4 6940 B7R0.1 CCNCCCSC 2230a_100000749238_100000210202 [2,0,0,0,0,0|2,0,0]=4 6941 B7R0.1 CCNCCOCC 2230a_100015525214_100011215890 [2,0,0,0,0,0|2,0,0]=4 6942 B7R0.1 CCNCCOCC 2230a_102516460346_100000210202 [2,0,0,0,0,0|2,0,0]=4 6943 B7R0.1 CCNCCOCC 34a_102516460346_100000210202 [2,0,0,0,0,0|2,0,0]=4 6944 B7R0.1 CCNCCSCC 2230a_100000106463_100000210202 [2,0,0,0,0,0|2,0,0]=4 6945 B7R0.1 CCNCCSCC 2230a_100015525214_100000757381 [2,0,0,0,0,0|2,0,0]=4 6946 B7R0.1 CCOCCCCBr 34a_100011216708_100000210202 [2,0,0,0,0,0|2,0,0]=4 6947 B7R0.1 CCOCCCCCl 34a_100000210776_100000210202 [2,0,0,0,0,0|2,0,0]=4 6948 B7R0.1 CCOCCCCCl 7a_100000210776_100000210202 [2,0,0,0,0,0|2,0,0]=4 6949 B7R0.1 CCOCCCCF 34a_100011995726_100000210202 [2,0,0,0,0,0|2,0,0]=4 6950 B7R0.1 CCOCCCCF 34a_100121572206_100000729493 [2,0,0,0,0,0|2,0,0]=4 6951 B7R0.1 CCOCCCCF 7a_100011995726_100000210202 [2,0,0,0,0,0|2,0,0]=4 6952 B7R0.1 CCOCCCCI 34a_200012148704_100000210202 [2,0,0,0,0,0|2,0,0]=4 6953 B7R0.1 CCOCCCCN 34a_100000750430_100000210202 [2,0,0,0,0,0|2,0,0]=4 6954 B7R0.1 CCOCCCCO 34a_100121572206_100011216708 [2,0,0,0,0,0|2,0,0]=4 6955 B7R0.1 CCOCCCNC 2230a_100000210961_200000210301 [2,0,0,0,0,0|2,0,0]=4 6956 B7R0.1 CCOCCCNC 2230a_106832991635_100012232248 [2,0,0,0,0,0|2,0,0]=4 6957 B7R0.1 CCOCCCNC 34a_100000210961_200000210301 [2,0,0,0,0,0|2,0,0]=4 6958 B7R0.1 CCOCCCNC 34a_100000213112_100000210202 [2,0,0,0,0,0|2,0,0]=4 6959 B7R0.1 CCOCCCNC 34a_100102657272_100012232248 [2,0,0,0,0,0|2,0,0]=4 6960 B7R0.1 CCOCCCNC 7a_106832991635_100012232248 [2,0,0,0,0,0|2,0,0]=4 6961 B7R0.1 CCOCCCN[13CH3] 2230a_100000210961_200025704644 [2,0,0,0,0,0|2,0,0]=4 6962 B7R0.1 CCOCCCN[13CH3] 34a_100000210961_200025704644 [2,0,0,0,0,0|2,0,0]=4 6963 B7R0.1 CCOCCCOC 34a_100000740835_100000210202 [2,0,0,0,0,0|2,0,0]=4 6964 B7R0.1 CCOCCCOC 34a_100000757476_200000210301 [2,0,0,0,0,0|2,0,0]=4 6965 B7R0.1 CCOCCCOC 34a_100121572206_100000740836 [2,0,0,0,0,0|2,0,0]=4 6966 B7R0.1 CCOCCCOC 34a_100138415774_100012232248 [2,0,0,0,0,0|2,0,0]=4 6967 B7R0.1 CCOCCCOC 7a_100000757476_200000210301 [2,0,0,0,0,0|2,0,0]=4 6968 B7R0.1 CCOCCCO[13CH3] 34a_100000757476_200025704644 [2,0,0,0,0,0|2,0,0]=4 6969 B7R0.1 CCOCCCO[13CH3] 7a_100000757476_200025704644 [2,0,0,0,0,0|2,0,0]=4 6970 B7R0.1 CCOCCCSC 34a_100000690336_100000210202 [2,0,0,0,0,0|2,0,0]=4 6971 B7R0.1 CCOCCCSC 62a_100012232248_200000210301 [2,0,0,0,0,0|2,0,0]=4 6972 B7R0.1 CCOCCCSC 62a_200000210301_100012232248 [2,0,0,0,0,0|2,0,0]=4 6973 B7R0.1 CCOCCCSC 7a_100000690336_100000210202 [2,0,0,0,0,0|2,0,0]=4 6974 B7R0.1 CCOCCCS[13CH3] 62a_100012232248_200025704644 [2,0,0,0,0,0|2,0,0]=4 6975 B7R0.1 CCOCCCS[13CH3] 62a_200025704644_100012232248 [2,0,0,0,0,0|2,0,0]=4 6976 B7R0.1 CCOCCOCC 34a_100000210136_100000210202 [2,0,0,0,0,0|2,0,0]=4 6977 B7R0.1 CCOCCOCC 34a_100121572206_100000210147 [2,0,0,0,0,0|2,0,0]=4 6978 B7R0.1 CCOCCOCC 7a_100000210136_100000210202 [2,0,0,0,0,0|2,0,0]=4 6979 B7R0.1 CCOCCSCC 34a_100000212035_100000210202 [2,0,0,0,0,0|2,0,0]=4 6980 B7R0.1 CCOCCSCC 34a_100121572206_100000757381 [2,0,0,0,0,0|2,0,0]=4 6981 B7R0.1 CCOCCSCC 62a_100000210147_100000210202 [2,0,0,0,0,0|2,0,0]=4 6982 B7R0.1 CCOCCSCC 62a_100000210202_100011215890 [2,0,0,0,0,0|2,0,0]=4 6983 B7R0.1 CCOCCSCC 7a_100000212035_100000210202 [2,0,0,0,0,0|2,0,0]=4 6984 B7R0.1 CCOCSCC=O 62a_100000739092_200015260668 [2,0,0,0,0,0|2,0,0]=4 6985 B7R0.1 CCOCSCC=O 62a_200015260668_100000739092 [2,0,0,0,0,0|2,0,0]=4 6986 B7R0.1 CCSCCCC=O 62a_100000210202_200011292268 [2,0,0,0,0,0|1,0,0]=3 6987 B7R0.1 CCSCCCC=O 62a_200011292268_100000210202 [2,0,0,0,0,0|1,0,0]=3 6988 B7R0.1 CCSCCCCF 62a_100000210202_100000729493 [2,0,0,0,0,0|2,0,0]=4 6989 B7R0.1 CCSCCCCF 62a_100000729493_100000210202 [2,0,0,0,0,0|2,0,0]=4 6990 B7R0.1 CCSCCCCO 62a_100000210202_100000210776 [2,0,0,0,0,0|2,0,0]=4 6991 B7R0.1 CCSCCCCO 62a_100000210776_100000210202 [2,0,0,0,0,0|2,0,0]=4 6992 B7R0.1 CCSCCCOC 34a_100011216438_200000210301 [2,0,0,0,0,0|2,0,0]=4 6993 B7R0.1 CCSCCCOC 62a_100000210202_100000709357 [2,0,0,0,0,0|2,0,0]=4 6994 B7R0.1 CCSCCCOC 62a_100000709357_100000210202 [2,0,0,0,0,0|2,0,0]=4 6995 B7R0.1 CCSCCCOC 7a_100011216438_200000210301 [2,0,0,0,0,0|2,0,0]=4 6996 B7R0.1 CCSCCCO[13CH3] 34a_100011216438_200025704644 [2,0,0,0,0,0|2,0,0]=4 6997 B7R0.1 CCSCCCO[13CH3] 7a_100011216438_200025704644 [2,0,0,0,0,0|2,0,0]=4 6998 B7R0.1 CCSCCSCC 62a_100000210202_100000757381 [2,0,0,0,0,0|2,0,0]=4 6999 B7R0.1 CCSCCSCC 62a_100000757381_100000210202 [2,0,0,0,0,0|2,0,0]=4 7000 B7R0.1 CNCCCCC=O 2230a_106832991635_100000139335 [2,0,0,0,0,0|1,0,0]=3 7001 B7R0.1 CNCCCCC=O 7a_106832991635_100000139335 [2,0,0,0,0,0|1,0,0]=3 7002 B7R0.1 CNCCCCCF 2230a_106832991635_100000729378 [2,0,0,0,0,0|2,0,0]=4 7003 B7R0.1 CNCCCCCF 34a_100102657272_100000729378 [2,0,0,0,0,0|2,0,0]=4 7004 B7R0.1 CNCCCCCF 7a_106832991635_100000729378 [2,0,0,0,0,0|2,0,0]=4 7005 B7R0.1 CNCCCCCO 2230a_100000762737_200000210301 [2,0,0,0,0,0|2,0,0]=4 7006 B7R0.1 CNCCCCCO 2230a_106832991635_100000746330 [2,0,0,0,0,0|2,0,0]=4 7007 B7R0.1 CNCCCCCO 34a_100000762737_200000210301 [2,0,0,0,0,0|2,0,0]=4 7008 B7R0.1 CNCCCCCO 34a_100102657272_100000746330 [2,0,0,0,0,0|2,0,0]=4 7009 B7R0.1 CNCCCCCO 7a_106832991635_100000746330 [2,0,0,0,0,0|2,0,0]=4 7010 B7R0.1 CNCCCCOC 2230a_106832991635_100000730899 [2,0,0,0,0,0|2,0,0]=4 7011 B7R0.1 CNCCCCOC 34a_100102657272_100000755781 [2,0,0,0,0,0|2,0,0]=4 7012 B7R0.1 CNCCCCOC 7a_106832991635_100000730899 [2,0,0,0,0,0|2,0,0]=4 7013 B7R0.1 COCCCCCBr 34a_100000746331_200000210301 [2,0,0,0,0,0|2,0,0]=4 7014 B7R0.1 COCCCCCBr 7a_100000746331_200000210301 [2,0,0,0,0,0|2,0,0]=4 7015 B7R0.1 COCCCCCCl 34a_100000746330_200000210301 [2,0,0,0,0,0|2,0,0]=4 7016 B7R0.1 COCCCCCCl 7a_100000746330_200000210301 [2,0,0,0,0,0|2,0,0]=4 7017 B7R0.1 COCCCCCF 34a_100138415774_100000729378 [2,0,0,0,0,0|2,0,0]=4 7018 B7R0.1 COCCCCCI 34a_200012148887_200000210301 [2,0,0,0,0,0|2,0,0]=4 7019 B7R0.1 COCCCCCI 7a_200012148887_200000210301 [2,0,0,0,0,0|2,0,0]=4 7020 B7R0.1 COCCCCCN 34a_100000762737_200000210301 [2,0,0,0,0,0|2,0,0]=4 7021 B7R0.1 COCCCCCO 34a_100138415774_100000746330 [2,0,0,0,0,0|2,0,0]=4 7022 B7R0.1 COCCCCOC 34a_100000740925_200000210301 [2,0,0,0,0,0|2,0,0]=4 7023 B7R0.1 COCCCCOC 34a_100138415774_100000755781 [2,0,0,0,0,0|2,0,0]=4 7024 B7R0.1 COCCCCO[13CH3] 34a_100000740925_200025704644 [2,0,0,0,0,0|2,0,0]=4 7025 B7R0.1 COCCCCSC 34a_100011217163_200000210301 [2,0,0,0,0,0|2,0,0]=4 7026 B7R0.1 COCCCCSC 62a_100000730899_200000210301 [2,0,0,0,0,0|2,0,0]=4 7027 B7R0.1 COCCCCSC 62a_200000210301_100000730899 [2,0,0,0,0,0|2,0,0]=4 7028 B7R0.1 COCCCCSC 7a_100011217163_200000210301 [2,0,0,0,0,0|2,0,0]=4 7029 B7R0.1 COCCCCS[13CH3] 62a_100000730899_200025704644 [2,0,0,0,0,0|2,0,0]=4 7030 B7R0.1 COCCCCS[13CH3] 62a_200025704644_100000730899 [2,0,0,0,0,0|2,0,0]=4 7031 B7R0.1 COCCNCC=O 2230a_100000209980_200015260668 [2,0,0,0,0,0|2,0,0]=4 7032 B7R0.1 COCCOCC=O 34a_100000210237_200009817547 [2,0,0,0,0,0|2,0,0]=4 7033 B7R0.1 COCCSCC=O 62a_100000233755_200015260668 [2,0,0,0,0,0|2,0,0]=4 7034 B7R0.1 COCCSCC=O 62a_200015260668_100000233755 [2,0,0,0,0,0|2,0,0]=4 7035 B7R0.1 CSCCCCC=O 62a_100000139335_200000210301 [2,0,0,0,0,0|1,0,0]=3 7036 B7R0.1 CSCCCCC=O 62a_200000210301_100000139335 [2,0,0,0,0,0|1,0,0]=3 7037 B7R0.1 CSCCCCCF 62a_100000729378_200000210301 [2,0,0,0,0,0|2,0,0]=4 7038 B7R0.1 CSCCCCCF 62a_200000210301_100000729378 [2,0,0,0,0,0|2,0,0]=4 7039 B7R0.1 CSCCCCCO 62a_100000746330_200000210301 [2,0,0,0,0,0|2,0,0]=4 7040 B7R0.1 CSCCCCCO 62a_200000210301_100000746330 [2,0,0,0,0,0|2,0,0]=4 7041 B7R0.1 CSCCCCO[13CH3] 34a_100011217163_200025704644 [2,0,0,0,0,0|2,0,0]=4 7042 B7R0.1 CSCCCCO[13CH3] 7a_100011217163_200025704644 [2,0,0,0,0,0|2,0,0]=4 7043 B7R0.1 CSCCNCC=O 2230a_100020590264_200015260668 [2,0,0,0,0,0|2,0,0]=4 7044 B7R0.1 CSCCOCC=O 34a_100000230434_200009817547 [2,0,0,0,0,0|2,0,0]=4 7045 B7R0.1 CSCCOCC=O 7a_100000230434_200015260668 [2,0,0,0,0,0|2,0,0]=4 7046 B7R0.1 CSCCSCC=O 62a_100000212216_200015260668 [2,0,0,0,0,0|2,0,0]=4 7047 B7R0.1 CSCCSCC=O 62a_200015260668_100000751147 [2,0,0,0,0,0|2,0,0]=4 7048 B7R0.1 NCCCOCC=O 34a_100000182051_200009817547 [2,0,0,0,0,0|2,0,0]=4 7049 B7R0.1 O=CCCCSCF 62a_100015361967_200011292268 [2,0,0,0,0,0|2,0,0]=4 7050 B7R0.1 O=CCCCSCF 62a_200011292268_100015361967 [2,0,0,0,0,0|2,0,0]=4 7051 B7R0.1 O=CCNCCCF 2230a_100015189416_200015260668 [2,0,0,0,0,0|2,0,0]=4 7052 B7R0.1 O=CCNCCCF 34a_100015189416_200009817547 [2,0,0,0,0,0|2,0,0]=4 7053 B7R0.1 O=CCOCCCBr 34a_100011217188_200009817547 [2,0,0,0,0,0|2,0,0]=4 7054 B7R0.1 O=CCOCCCCl 34a_100000230001_200009817547 [2,0,0,0,0,0|2,0,0]=4 7055 B7R0.1 O=CCOCCCF 34a_100000759539_200009817547 [2,0,0,0,0,0|2,0,0]=4 7056 B7R0.1 O=CCSCCCF 62a_100011934791_200015260668 [2,0,0,0,0,0|2,0,0]=4 7057 B7R0.1 O=CCSCCCF 62a_200015260668_100011934791 [2,0,0,0,0,0|2,0,0]=4 7058 B7R0.1 O=CCSCCCO 62a_100011215043_200015260668 [2,0,0,0,0,0|2,0,0]=4 7059 B7R0.1 O=CCSCCCO 62a_200015260668_100011215043 [2,0,0,0,0,0|2,0,0]=4 7060 B7R0.1 [13CH3]NCCCCCO 2230a_100000762737_200025704644 [2,0,0,0,0,0|2,0,0]=4 7061 B7R0.1 [13CH3]NCCCCCO 34a_100000762737_200025704644 [2,0,0,0,0,0|2,0,0]=4 7062 B7R0.1 [13CH3]OCCCCCBr 34a_100000746331_200025704644 [2,0,0,0,0,0|2,0,0]=4 7063 B7R0.1 [13CH3]OCCCCCBr 7a_100000746331_200025704644 [2,0,0,0,0,0|2,0,0]=4 7064 B7R0.1 [13CH3]OCCCCCCl 34a_100000746330_200025704644 [2,0,0,0,0,0|2,0,0]=4 7065 B7R0.1 [13CH3]OCCCCCCl 7a_100000746330_200025704644 [2,0,0,0,0,0|2,0,0]=4 7066 B7R0.1 [13CH3]OCCCCCI 34a_200012148887_200025704644 [2,0,0,0,0,0|2,0,0]=4 7067 B7R0.1 [13CH3]OCCCCCI 7a_200012148887_200025704644 [2,0,0,0,0,0|2,0,0]=4 7068 B7R0.1 [13CH3]OCCCCCN 34a_100000762737_200025704644 [2,0,0,0,0,0|2,0,0]=4 7069 B7R0.1 [13CH3]SCCCCC=O 62a_100000139335_200025704644 [2,0,0,0,0,0|1,0,0]=3 7070 B7R0.1 [13CH3]SCCCCC=O 62a_200025704644_100000139335 [2,0,0,0,0,0|1,0,0]=3 7071 B7R0.1 [13CH3]SCCCCCF 62a_100000729378_200025704644 [2,0,0,0,0,0|2,0,0]=4 7072 B7R0.1 [13CH3]SCCCCCF 62a_200025704644_100000729378 [2,0,0,0,0,0|2,0,0]=4 7073 B7R0.1 [13CH3]SCCCCCO 62a_100000746330_200025704644 [2,0,0,0,0,0|2,0,0]=4 7074 B7R0.1 [13CH3]SCCCCCO 62a_200025704644_100000746330 [2,0,0,0,0,0|2,0,0]=4 7075 B7R0.3 C#CC(=O)CCCC 1458a_100000211873_100000210211 [2,0,0,0,0,0|0,0,2]=4 7076 B7R0.3 C#CCCC(=O)CC 1458a_100000210414_100000753159 [2,0,0,0,0,0|0,0,2]=4 7077 B7R0.3 C#CCCC(=O)CC 1458a_100000692101_100000210202 [2,0,0,0,0,0|0,0,2]=4 7078 B7R0.3 C/C=C/CC(=O)CC 1458a_100000210414_100102629194 [2,0,0,0,0,0|0,0,2]=4 7079 B7R0.3 C=CC(=O)CCCC 1458a_100000185746_100000210211 [2,0,0,0,0,0|0,0,2]=4 7080 B7R0.3 C=CCCC(=O)CC 1458a_100000210414_100000754431 [2,0,0,0,0,0|0,0,2]=4 7081 B7R0.3 C=CCCC(=O)CC 1458a_100000749702_100000210202 [2,0,0,0,0,0|0,0,2]=4 7082 B7R0.3 CC#CCC(=O)CC 1458a_100000210414_100000748600 [2,0,0,0,0,0|0,0,2]=4 7083 B7R0.3 CC=CCC(=O)CC 1458a_100000210414_100000070051 [2,0,0,0,0,0|0,0,2]=4 7084 B7R0.3 CC=CCC(=O)CC 1458a_100121576822_100000210202 [2,0,0,0,0,0|0,0,2]=4 7085 B7R0.3 CCC#CC(=O)CC 1458a_100011827653_100000210202 [2,0,0,0,0,0|0,0,2]=4 7086 B7R0.3 CCC(=O)CCC#N 1458a_100000210414_100011215226 [2,0,0,0,0,0|1,0,1]=4 7087 B7R0.3 CCC(=O)CCC#N 1458a_100011934036_100000210202 [2,0,0,0,0,0|1,0,1]=4 7088 B7R0.3 CCC(=O)CCCF 1458a_100000210414_100011934791 [2,0,0,0,0,0|1,0,0]=3 7089 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [2,0,0,0,0,0|1,0,0]=3 7090 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [2,0,0,0,0,0|1,0,0]=3 7091 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [2,0,0,0,0,0|1,0,0]=3 7092 B7R0.3 CCC(=O)CCSC 1458a_100000174002_100000210202 [2,0,0,0,0,0|1,0,0]=3 7093 B7R0.3 CCC(=O)CCSC 1458a_100000210414_100000751147 [2,0,0,0,0,0|1,0,0]=3 7094 B7R0.3 CCC(=O)COCF 34a_100000725409_100015361967 [2,0,0,0,0,0|2,0,0]=4 7095 B7R0.3 CCC(=O)CSCF 62a_100000747405_100015361967 [2,0,0,0,0,0|2,0,0]=4 7096 B7R0.3 CCC(=O)CSCF 62a_100015361967_100000747405 [2,0,0,0,0,0|2,0,0]=4 7097 B7R0.3 CCC(=O)NCCF 11a_100000724931_100000210414 [2,0,0,0,0,0|2,0,0]=4 7098 B7R0.3 CCC(=O)NCCF 1626a_100000724931_100000210414 [2,0,0,0,0,0|2,0,0]=4 7099 B7R0.3 CCC(=O)NCCF 240690a_100000724931_100000210414 [2,0,0,0,0,0|2,0,0]=4 7100 B7R0.3 CCC(=O)NCCF 527a_100000724931_100000210414 [2,0,0,0,0,0|2,0,0]=4 7101 B7R0.3 CCC(=O)NCCO 240690a_100000210304_100000210414 [2,0,0,0,0,0|2,0,0]=4 7102 B7R0.3 CCC(=O)NCCO 527a_100000210304_100000210414 [2,0,0,0,0,0|2,0,0]=4 7103 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [2,0,0,0,0,0|0,0,2]=4 7104 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [2,0,0,0,0,0|0,0,0]=2 7105 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [2,0,0,0,0,0|0,0,0]=2 7106 B7R0.3 CCCCC(=O)CF 1458a_100000210183_100015361967 [2,0,0,0,0,0|1,0,0]=3 7107 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [2,0,0,0,0,0|1,0,0]=3 7108 B7R0.3 CCCCC(=O)NC 11a_106832991635_100000210183 [2,0,0,0,0,0|1,0,0]=3 7109 B7R0.3 CCCCC(=O)NC 1626a_100102657272_100000210183 [2,0,0,0,0,0|1,0,0]=3 7110 B7R0.3 CCCCC(=O)NC 240690a_100102657272_100000210183 [2,0,0,0,0,0|1,0,0]=3 7111 B7R0.3 CCCCC(=O)NC 527a_100102657272_100000210183 [2,0,0,0,0,0|1,0,0]=3 7112 B7R0.3 CCCCN(C)CC 2230a_100000207549_100000210202 [2,0,0,0,0,0|2,0,0]=4 7113 B7R0.3 CCCCN(C)CC 2230a_100000207695_200000210301 [2,0,0,0,0,0|2,0,0]=4 7114 B7R0.3 CCCCN(C)CC 2230a_100000225621_100000210211 [2,0,0,0,0,0|2,0,0]=4 7115 B7R0.3 CCCCN(C)CC 269982a_100000207549_100000204670 [2,0,0,0,0,0|2,0,0]=4 7116 B7R0.3 CCCCN(C)CC 269982a_100000207695_200000210301 [2,0,0,0,0,0|2,0,0]=4 7117 B7R0.3 CCCCN(C)CC 269982a_100000225621_100000210211 [2,0,0,0,0,0|2,0,0]=4 7118 B7R0.3 CCCCN([13CH3])CC 2230a_100000207695_200025704644 [2,0,0,0,0,0|2,0,0]=4 7119 B7R0.3 CCCCN([13CH3])CC 269982a_100000207695_200025704644 [2,0,0,0,0,0|2,0,0]=4 7120 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [2,0,0,0,0,0|1,0,0]=3 7121 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [2,0,0,0,0,0|1,0,0]=3 7122 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [2,0,0,0,0,0|1,0,0]=3 7123 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [2,0,0,0,0,0|1,0,0]=3 7124 B7R0.3 CCCNC(=O)CO 240690a_100020643023_100000210174 [2,0,0,0,0,0|2,0,0]=4 7125 B7R0.3 CCCNC(=O)CO 527a_100020643023_100000210174 [2,0,0,0,0,0|2,0,0]=4 7126 B7R0.3 CCCNC(=O)NC 2708a_100020643023_106832991635 [2,0,0,0,0,0|2,0,0]=4 7127 B7R0.3 CCCNC(=O)NC 2708a_100102657272_100020643023 [2,0,0,0,0,0|2,0,0]=4 7128 B7R0.3 CCCNC(=O)NC 273464a_100020643023_100102657272 [2,0,0,0,0,0|2,0,0]=4 7129 B7R0.3 CCCNC(=O)NC 273464a_100102657272_100020643023 [2,0,0,0,0,0|2,0,0]=4 7130 B7R0.3 CCCNC(=O)NC 512a_100020643023_100102657272 [2,0,0,0,0,0|2,0,0]=4 7131 B7R0.3 CCCNC(=O)NC 512a_106832991638_100020643023 [2,0,0,0,0,0|2,0,0]=4 7132 B7R0.3 CCNCC(=O)NC 2230a_100000693194_100000210202 [2,0,0,0,0,0|2,0,0]=4 7133 B7R0.3 CCNCC(=O)NC 2230a_100015525214_100000183359 [2,0,0,0,0,0|2,0,0]=4 7134 B7R0.3 CCNCC(=O)OC 2230a_100015525214_100000747449 [2,0,0,0,0,0|2,0,0]=4 7135 B7R0.3 CCNNC(=O)CC 22a_100000756455_100000210414 [2,0,0,0,0,0|2,0,0]=4 7136 B7R0.3 CCOCC(=O)CC 1458a_100000211967_100000210202 [2,0,0,0,0,0|1,0,0]=3 7137 B7R0.3 CCOCC(=O)CC 34a_100000725409_100000210202 [2,0,0,0,0,0|1,0,0]=3 7138 B7R0.3 CCOCC(=O)CF 1458a_100000211967_100015361967 [2,0,0,0,0,0|2,0,0]=4 7139 B7R0.3 CCOCC(=O)NC 11a_106832991635_100000211967 [2,0,0,0,0,0|2,0,0]=4 7140 B7R0.3 CCOCC(=O)NC 1626a_100102657272_100000211967 [2,0,0,0,0,0|2,0,0]=4 7141 B7R0.3 CCOCC(=O)NC 240690a_100102657272_100000211967 [2,0,0,0,0,0|2,0,0]=4 7142 B7R0.3 CCOCC(=O)NC 34a_100000750040_100000210202 [2,0,0,0,0,0|2,0,0]=4 7143 B7R0.3 CCOCC(=O)NC 34a_100121572206_100000183359 [2,0,0,0,0,0|2,0,0]=4 7144 B7R0.3 CCOCC(=O)NC 527a_100102657272_100000211967 [2,0,0,0,0,0|2,0,0]=4 7145 B7R0.3 CCOCC(=O)OC 34a_100121572206_100000747449 [2,0,0,0,0,0|2,0,0]=4 7146 B7R0.3 CCSCC(=O)CC 1458a_100000230394_100000210202 [2,0,0,0,0,0|1,0,0]=3 7147 B7R0.3 CCSCC(=O)CC 62a_100000210202_100000747405 [2,0,0,0,0,0|1,0,0]=3 7148 B7R0.3 CCSCC(=O)CC 62a_100000747405_100000210202 [2,0,0,0,0,0|1,0,0]=3 7149 B7R0.3 CCSCC(=O)CF 1458a_100000230394_100015361967 [2,0,0,0,0,0|2,0,0]=4 7150 B7R0.3 CCSCC(=O)NC 11a_106832991635_100000230394 [2,0,0,0,0,0|2,0,0]=4 7151 B7R0.3 CCSCC(=O)NC 1626a_100102657272_100000230394 [2,0,0,0,0,0|2,0,0]=4 7152 B7R0.3 CCSCC(=O)NC 240690a_100102657272_100000230394 [2,0,0,0,0,0|2,0,0]=4 7153 B7R0.3 CCSCC(=O)NC 527a_100102657272_100000230394 [2,0,0,0,0,0|2,0,0]=4 7154 B7R0.3 CCSCC(=O)NC 62a_100000183359_100000210202 [2,0,0,0,0,0|2,0,0]=4 7155 B7R0.3 CCSCC(=O)NC 62a_100000210202_100000183359 [2,0,0,0,0,0|2,0,0]=4 7156 B7R0.3 CCSCC(=O)OC 62a_100000210202_100000747449 [2,0,0,0,0,0|2,0,0]=4 7157 B7R0.3 CCSCC(=O)OC 62a_100000747449_100000210202 [2,0,0,0,0,0|2,0,0]=4 7158 B7R0.3 CNC(=O)CCN[13CH3] 2230a_100000738227_200025704644 [2,0,0,0,0,0|2,0,0]=4 7159 B7R0.3 CNC(=O)CCN[13CH3] 34a_100000738227_200025704644 [2,0,0,0,0,0|2,0,0]=4 7160 B7R0.3 CNC(=O)CCOC 11a_106832991635_100000749529 [2,0,0,0,0,0|2,0,0]=4 7161 B7R0.3 CNC(=O)CCOC 1626a_100102657272_100000749529 [2,0,0,0,0,0|2,0,0]=4 7162 B7R0.3 CNC(=O)CCOC 240690a_100102657272_100000749529 [2,0,0,0,0,0|2,0,0]=4 7163 B7R0.3 CNC(=O)CCOC 34a_100000754576_200000210301 [2,0,0,0,0,0|2,0,0]=4 7164 B7R0.3 CNC(=O)CCOC 34a_100138415774_100012179268 [2,0,0,0,0,0|2,0,0]=4 7165 B7R0.3 CNC(=O)CCOC 527a_100102657272_100000749529 [2,0,0,0,0,0|2,0,0]=4 7166 B7R0.3 CNC(=O)CCO[13CH3] 34a_100000754576_200025704644 [2,0,0,0,0,0|2,0,0]=4 7167 B7R0.3 CNC(=O)CCSC 11a_106832991635_100000174002 [2,0,0,0,0,0|2,0,0]=4 7168 B7R0.3 CNC(=O)CCSC 1626a_100102657272_100000174002 [2,0,0,0,0,0|2,0,0]=4 7169 B7R0.3 CNC(=O)CCSC 240690a_100102657272_100000174002 [2,0,0,0,0,0|2,0,0]=4 7170 B7R0.3 CNC(=O)CCSC 527a_100102657272_100000174002 [2,0,0,0,0,0|2,0,0]=4 7171 B7R0.3 CNC(=O)CCSC 62a_100000737683_200000210301 [2,0,0,0,0,0|2,0,0]=4 7172 B7R0.3 CNC(=O)CCSC 62a_200000210301_100000737683 [2,0,0,0,0,0|2,0,0]=4 7173 B7R0.3 CNC(=O)CCS[13CH3] 62a_100000737683_200025704644 [2,0,0,0,0,0|2,0,0]=4 7174 B7R0.3 CNC(=O)CCS[13CH3] 62a_200025704644_100000737683 [2,0,0,0,0,0|2,0,0]=4 7175 B7R0.3 CNCCC(=O)NC 2230a_100000738227_200000210301 [2,0,0,0,0,0|2,0,0]=4 7176 B7R0.3 CNCCC(=O)NC 2230a_106832991635_100000737683 [2,0,0,0,0,0|2,0,0]=4 7177 B7R0.3 CNCCC(=O)NC 34a_100000738227_200000210301 [2,0,0,0,0,0|2,0,0]=4 7178 B7R0.3 CNCCC(=O)NC 34a_100102657272_100012179268 [2,0,0,0,0,0|2,0,0]=4 7179 B7R0.3 CNCCC(=O)NC 7a_106832991635_100000737683 [2,0,0,0,0,0|2,0,0]=4 7180 B7R0.3 CNCCC(=O)OC 2230a_106832991635_100000204255 [2,0,0,0,0,0|2,0,0]=4 7181 B7R0.3 CNCCC(=O)OC 34a_100102657272_100000742370 [2,0,0,0,0,0|2,0,0]=4 7182 B7R0.3 CNCCC(=O)OC 7a_106832991635_100000204255 [2,0,0,0,0,0|2,0,0]=4 7183 B7R0.3 COC(=O)CCSC 62a_100000204255_200000210301 [2,0,0,0,0,0|2,0,0]=4 7184 B7R0.3 COC(=O)CCSC 62a_200000210301_100000204255 [2,0,0,0,0,0|2,0,0]=4 7185 B7R0.3 COC(=O)CCS[13CH3] 62a_100000204255_200025704644 [2,0,0,0,0,0|2,0,0]=4 7186 B7R0.3 COC(=O)CCS[13CH3] 62a_200025704644_100000204255 [2,0,0,0,0,0|2,0,0]=4 7187 B7R0.3 COCCC(=O)CF 1458a_100000749529_100015361967 [2,0,0,0,0,0|2,0,0]=4 7188 B7R0.3 COCCC(=O)CO 1458a_100000210174_100000233755 [2,0,0,0,0,0|2,0,0]=4 7189 B7R0.3 COCCC(=O)OC 34a_100138415774_100000742370 [2,0,0,0,0,0|2,0,0]=4 7190 B7R0.3 CSCCC(=O)CF 1458a_100000174002_100015361967 [2,0,0,0,0,0|2,0,0]=4 7191 B7R0.3 CSCCC(=O)CO 1458a_100000210174_100000751147 [2,0,0,0,0,0|2,0,0]=4 7192 B7R0.3 O=C(CO)CCCF 1458a_100000210174_100011934791 [2,0,0,0,0,0|2,0,0]=4 7193 B7R0.3 O=C(CO)CCCO 1458a_100000210174_100011215043 [2,0,0,0,0,0|2,0,0]=4 7194 B7R0.4 C#CCCCC(=O)C 1458a_100000070787_100000731252 [2,0,0,0,0,0|0,0,2]=4 7195 B7R0.4 C#CCCCC(=O)C 1458a_100000690238_200000210301 [2,0,0,0,0,0|0,0,2]=4 7196 B7R0.4 C#CCCCC(=O)[13CH3] 1458a_100000690238_200025704644 [2,0,0,0,0,0|0,0,2]=4 7197 B7R0.4 C=C(C)CCNCC 2230a_100015525214_100000730704 [2,0,0,0,0,0|2,0,0]=4 7198 B7R0.4 C=C(C)CCOCC 34a_100000764851_100000210202 [2,0,0,0,0,0|2,0,0]=4 7199 B7R0.4 C=C(C)CCOCC 34a_100121572206_100000730704 [2,0,0,0,0,0|2,0,0]=4 7200 B7R0.4 C=C(C)CCSCC 62a_100000210202_100000730704 [2,0,0,0,0,0|2,0,0]=4 7201 B7R0.4 C=C(C)CCSCC 62a_100000730704_100000210202 [2,0,0,0,0,0|2,0,0]=4 7202 B7R0.4 C=C(C)COCCC 34a_100000210245_100000210303 [2,0,0,0,0,0|2,0,0]=4 7203 B7R0.4 C=C(C)COCCC 34a_100000210258_100000748629 [2,0,0,0,0,0|2,0,0]=4 7204 B7R0.4 C=C(C)CSCCC 62a_100000210303_100000211660 [2,0,0,0,0,0|2,0,0]=4 7205 B7R0.4 C=C(C)CSCCC 62a_100000748629_100000210303 [2,0,0,0,0,0|2,0,0]=4 7206 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [2,0,0,0,0,0|0,0,2]=4 7207 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [2,0,0,0,0,0|0,0,2]=4 7208 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [2,0,0,0,0,0|0,0,2]=4 7209 B7R0.4 CC(=O)CCCC#N 1458a_100000070787_100000211468 [2,0,0,0,0,0|1,0,1]=4 7210 B7R0.4 CC(=O)CCCC#N 1458a_100000075515_200000210301 [2,0,0,0,0,0|1,0,1]=4 7211 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [2,0,0,0,0,0|1,0,0]=3 7212 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [2,0,0,0,0,0|1,0,0]=3 7213 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [2,0,0,0,0,0|1,0,0]=3 7214 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [2,0,0,0,0,0|1,0,0]=3 7215 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [2,0,0,0,0,0|1,0,0]=3 7216 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [2,0,0,0,0,0|1,0,0]=3 7217 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [2,0,0,0,0,0|1,0,0]=3 7218 B7R0.4 CC(=O)CCOCF 34a_100000759926_100015361967 [2,0,0,0,0,0|2,0,0]=4 7219 B7R0.4 CC(=O)CCOCF 7a_100000759926_100015361967 [2,0,0,0,0,0|2,0,0]=4 7220 B7R0.4 CC(=O)CCSCF 62a_100000053229_100015361967 [2,0,0,0,0,0|2,0,0]=4 7221 B7R0.4 CC(=O)CCSCF 62a_100015361967_100000053229 [2,0,0,0,0,0|2,0,0]=4 7222 B7R0.4 CC(=O)COCCF 34a_100000211253_100011217306 [2,0,0,0,0,0|2,0,0]=4 7223 B7R0.4 CC(=O)COCCO 1458a_100000708028_200000210301 [2,0,0,0,0,0|2,0,0]=4 7224 B7R0.4 CC(=O)COCCO 34a_100000211253_100000211926 [2,0,0,0,0,0|2,0,0]=4 7225 B7R0.4 CC(=O)NCCCF 11a_100015189416_100015343762 [2,0,0,0,0,0|2,0,0]=4 7226 B7R0.4 CC(=O)NCCCF 1626a_100015189416_100015343762 [2,0,0,0,0,0|2,0,0]=4 7227 B7R0.4 CC(=O)NCCCF 240690a_100015189416_100015343762 [2,0,0,0,0,0|2,0,0]=4 7228 B7R0.4 CC(=O)NCCCF 527a_100015189416_100103153847 [2,0,0,0,0,0|2,0,0]=4 7229 B7R0.4 CC(=O)NCCCO 240690a_100000182051_100015343762 [2,0,0,0,0,0|2,0,0]=4 7230 B7R0.4 CC(=O)NCCCO 527a_100000182051_100103153847 [2,0,0,0,0,0|2,0,0]=4 7231 B7R0.4 CC(=O)NCCN[13CH3] 2230a_100000209853_200025704644 [2,0,0,0,0,0|2,0,0]=4 7232 B7R0.4 CC(=O)NCCO[13CH3] 34a_100000158858_200025704644 [2,0,0,0,0,0|2,0,0]=4 7233 B7R0.4 CC(=O)NCCS[13CH3] 62a_100000189650_200025704644 [2,0,0,0,0,0|2,0,0]=4 7234 B7R0.4 CC(=O)NCCS[13CH3] 62a_200025704644_100000189650 [2,0,0,0,0,0|2,0,0]=4 7235 B7R0.4 CC(=O)OCCS[13CH3] 62a_100009814007_200025704644 [2,0,0,0,0,0|2,0,0]=4 7236 B7R0.4 CC(=O)OCCS[13CH3] 62a_200025704644_100009814007 [2,0,0,0,0,0|2,0,0]=4 7237 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [2,0,0,0,0,0|0,0,2]=4 7238 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [2,0,0,0,0,0|0,0,2]=4 7239 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [2,0,0,0,0,0|0,0,2]=4 7240 B7R0.4 CCC#CCC(=O)C 1458a_100000070787_100009813939 [2,0,0,0,0,0|0,0,2]=4 7241 B7R0.4 CCCC#CC(=O)C 1458a_200011218047_200000210301 [2,0,0,0,0,0|0,0,2]=4 7242 B7R0.4 CCCC#CC(=O)[13CH3] 1458a_200011218047_200025704644 [2,0,0,0,0,0|0,0,2]=4 7243 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [2,0,0,0,0,0|0,0,2]=4 7244 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [2,0,0,0,0,0|0,0,2]=4 7245 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [2,0,0,0,0,0|0,0,0]=2 7246 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [2,0,0,0,0,0|0,0,0]=2 7247 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [2,0,0,0,0,0|0,0,0]=2 7248 B7R0.4 CCCCCN(C)C 2230a_100000223495_200000210301 [2,0,0,0,0,0|2,0,0]=4 7249 B7R0.4 CCCCCN(C)C 2230a_100102631434_100000210326 [2,0,0,0,0,0|2,0,0]=4 7250 B7R0.4 CCCCCN(C)C 269982a_100000223495_200000210301 [2,0,0,0,0,0|2,0,0]=4 7251 B7R0.4 CCCCCN(C)C 269982a_100102631434_100000210215 [2,0,0,0,0,0|2,0,0]=4 7252 B7R0.4 CCCCCN(C)[13CH3] 2230a_100000223495_200025704644 [2,0,0,0,0,0|2,0,0]=4 7253 B7R0.4 CCCCCN(C)[13CH3] 269982a_100000223495_200025704644 [2,0,0,0,0,0|2,0,0]=4 7254 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [2,0,0,0,0,0|1,0,0]=3 7255 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [2,0,0,0,0,0|1,0,0]=3 7256 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [2,0,0,0,0,0|1,0,0]=3 7257 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [2,0,0,0,0,0|1,0,0]=3 7258 B7R0.4 CCCNCC(=O)N 2230a_100000711301_100000210303 [2,0,0,0,0,0|2,0,0]=4 7259 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [2,0,0,0,0,0|2,0,0]=4 7260 B7R0.4 CCCNNC(=O)C 22a_100000740057_100000070787 [2,0,0,0,0,0|2,0,0]=4 7261 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [2,0,0,0,0,0|1,0,0]=3 7262 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [2,0,0,0,0,0|1,0,0]=3 7263 B7R0.4 CCCOCC(=O)N 34a_100000210258_100000187820 [2,0,0,0,0,0|2,0,0]=4 7264 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [2,0,0,0,0,0|1,0,0]=3 7265 B7R0.4 CCCOCC(=O)[O-] 34a_100000210258_100020667443 [2,0,0,0,0,0|2,0,0]=4 7266 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [2,0,0,0,0,0|1,0,0]=3 7267 B7R0.4 CCCSCC(=O)N 62a_100000210303_100000747473 [2,0,0,0,0,0|2,0,0]=4 7268 B7R0.4 CCCSCC(=O)N 62a_100000747473_100000210303 [2,0,0,0,0,0|2,0,0]=4 7269 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [2,0,0,0,0,0|1,0,0]=3 7270 B7R0.4 CCCSCC(=O)[O-] 62a_100000210303_100020667443 [2,0,0,0,0,0|2,0,0]=4 7271 B7R0.4 CCCSCC(=O)[O-] 62a_100020667443_100000210303 [2,0,0,0,0,0|2,0,0]=4 7272 B7R0.4 CCNCCC(=O)N 2230a_100015525214_100000744528 [2,0,0,0,0,0|2,0,0]=4 7273 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [2,0,0,0,0,0|1,0,0]=3 7274 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [2,0,0,0,0,0|1,0,0]=3 7275 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [2,0,0,0,0,0|1,0,0]=3 7276 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [2,0,0,0,0,0|1,0,0]=3 7277 B7R0.4 CCOCCC(=O)N 34a_100000757172_100000210202 [2,0,0,0,0,0|2,0,0]=4 7278 B7R0.4 CCOCCC(=O)N 34a_100121572206_100000731001 [2,0,0,0,0,0|2,0,0]=4 7279 B7R0.4 CCOCCC(=O)N 7a_100000757172_100000210202 [2,0,0,0,0,0|2,0,0]=4 7280 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [2,0,0,0,0,0|1,0,0]=3 7281 B7R0.4 CCOCOC(=O)C 34a_100121572206_100009813279 [2,0,0,0,0,0|2,0,0]=4 7282 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [2,0,0,0,0,0|1,0,0]=3 7283 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [2,0,0,0,0,0|1,0,0]=3 7284 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [2,0,0,0,0,0|1,0,0]=3 7285 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [2,0,0,0,0,0|1,0,0]=3 7286 B7R0.4 CCSCCC(=O)N 62a_100000210202_100000744528 [2,0,0,0,0,0|2,0,0]=4 7287 B7R0.4 CCSCCC(=O)N 62a_100000744528_100000210202 [2,0,0,0,0,0|2,0,0]=4 7288 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [2,0,0,0,0,0|1,0,0]=3 7289 B7R0.4 CCSCOC(=O)C 62a_100000076356_100000210202 [2,0,0,0,0,0|2,0,0]=4 7290 B7R0.4 CCSCOC(=O)C 62a_100000210202_100000076356 [2,0,0,0,0,0|2,0,0]=4 7291 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [2,0,0,0,0,0|1,0,0]=3 7292 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [2,0,0,0,0,0|1,0,0]=3 7293 B7R0.4 CNCCCC(=O)N 34a_100000739312_200000210301 [2,0,0,0,0,0|2,0,0]=4 7294 B7R0.4 CNCCCC(=O)N 34a_100102657272_100102525003 [2,0,0,0,0,0|2,0,0]=4 7295 B7R0.4 CNCCCC(=O)N 7a_106832991635_100102525003 [2,0,0,0,0,0|2,0,0]=4 7296 B7R0.4 CNCCCS(=O)C 2230a_200000753449_200000210301 [2,0,0,0,0,0|2,0,0]=4 7297 B7R0.4 CNCCNC(=O)C 2230a_100000209853_200000210301 [2,0,0,0,0,0|2,0,0]=4 7298 B7R0.4 CNCCNC(=O)C 2230a_106832991635_100000189650 [2,0,0,0,0,0|2,0,0]=4 7299 B7R0.4 CNCCNC(=O)C 7a_106832991635_100000189650 [2,0,0,0,0,0|2,0,0]=4 7300 B7R0.4 CNCCOC(=O)C 34a_100102657272_100009814007 [2,0,0,0,0,0|2,0,0]=4 7301 B7R0.4 CNCCOC(=O)C 7a_106832991635_100009814007 [2,0,0,0,0,0|2,0,0]=4 7302 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [2,0,0,0,0,0|1,0,0]=3 7303 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [2,0,0,0,0,0|1,0,0]=3 7304 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [2,0,0,0,0,0|1,0,0]=3 7305 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [2,0,0,0,0,0|1,0,0]=3 7306 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [2,0,0,0,0,0|1,0,0]=3 7307 B7R0.4 COCCCC(=O)N 34a_100138415774_100102525003 [2,0,0,0,0,0|2,0,0]=4 7308 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [2,0,0,0,0,0|1,0,0]=3 7309 B7R0.4 COCCNC(=O)C 1626a_100000209980_100015343762 [2,0,0,0,0,0|2,0,0]=4 7310 B7R0.4 COCCNC(=O)C 240690a_100000209980_100015343762 [2,0,0,0,0,0|2,0,0]=4 7311 B7R0.4 COCCNC(=O)C 34a_100000158858_200000210301 [2,0,0,0,0,0|2,0,0]=4 7312 B7R0.4 COCCNC(=O)C 527a_100000209980_100103153847 [2,0,0,0,0,0|2,0,0]=4 7313 B7R0.4 COCCOC(=O)C 34a_100138415774_100009814007 [2,0,0,0,0,0|2,0,0]=4 7314 B7R0.4 CS(=O)CCCN[13CH3] 2230a_200000753449_200025704644 [2,0,0,0,0,0|2,0,0]=4 7315 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [2,0,0,0,0,0|1,0,0]=3 7316 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [2,0,0,0,0,0|1,0,0]=3 7317 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [2,0,0,0,0,0|1,0,0]=3 7318 B7R0.4 CSCCCC(=O)N 62a_100102525003_200000210301 [2,0,0,0,0,0|2,0,0]=4 7319 B7R0.4 CSCCCC(=O)N 62a_200000210301_100102525003 [2,0,0,0,0,0|2,0,0]=4 7320 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [2,0,0,0,0,0|1,0,0]=3 7321 B7R0.4 CSCCNC(=O)C 11a_100020590264_100015343762 [2,0,0,0,0,0|2,0,0]=4 7322 B7R0.4 CSCCNC(=O)C 1626a_100020590264_100015343762 [2,0,0,0,0,0|2,0,0]=4 7323 B7R0.4 CSCCNC(=O)C 240690a_100020590264_100015343762 [2,0,0,0,0,0|2,0,0]=4 7324 B7R0.4 CSCCNC(=O)C 527a_100020590264_100103153847 [2,0,0,0,0,0|2,0,0]=4 7325 B7R0.4 CSCCNC(=O)C 62a_100000189650_200000210301 [2,0,0,0,0,0|2,0,0]=4 7326 B7R0.4 CSCCNC(=O)C 62a_200000210301_100000189650 [2,0,0,0,0,0|2,0,0]=4 7327 B7R0.4 CSCCOC(=O)C 62a_100009814007_200000210301 [2,0,0,0,0,0|2,0,0]=4 7328 B7R0.4 CSCCOC(=O)C 62a_200000210301_100009814007 [2,0,0,0,0,0|2,0,0]=4 7329 B7R0.4 CSCOCC(=O)C 34a_100000211253_100011218213 [2,0,0,0,0,0|2,0,0]=4 7330 B7R0.4 [13CH3]C(=O)CCCC#N 1458a_100000075515_200025704644 [2,0,0,0,0,0|1,0,1]=4 7331 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [2,0,0,0,0,0|1,0,0]=3 7332 B7R0.4 [13CH3]C(=O)COCCO 1458a_100000708028_200025704644 [2,0,0,0,0,0|2,0,0]=4 7333 B7R0.4 [13CH3]NCCCC(=O)N 34a_100000739312_200025704644 [2,0,0,0,0,0|2,0,0]=4 7334 B7R0.4 [13CH3]SCCCC(=O)N 62a_100102525003_200025704644 [2,0,0,0,0,0|2,0,0]=4 7335 B7R0.4 [13CH3]SCCCC(=O)N 62a_200025704644_100102525003 [2,0,0,0,0,0|2,0,0]=4 7336 B9R0.2 C/C=C/CCOCC(C)C 34a_100016278192_100000210624 [1,1,0,0,0,0|1,0,1]=4 7337 B9R0.2 C/C=C/CCOCC(C)O 34a_100016278192_100011218427 [1,1,0,0,0,0|1,0,1]=4 7338 B9R0.2 C/C=C/CCOC[C@@H](C)O 34a_100016278192_100009817552 [1,1,0,0,0,0|1,0,1]=4 7339 B9R0.2 C/C=C/COCCC(C)Br 34a_100009893172_100102629194 [1,1,0,0,0,0|1,0,1]=4 7340 B9R0.2 C/C=C/COCCC(C)C 34a_100000210254_100102629194 [1,1,0,0,0,0|1,0,1]=4 7341 B9R0.2 C/C=C/COCCC(C)C 34a_100016270725_100000210312 [1,1,0,0,0,0|1,0,1]=4 7342 B9R0.2 C/C=C/COCCC(C)C 7a_100000210254_100102629194 [1,1,0,0,0,0|1,0,1]=4 7343 B9R0.2 C/C=C/COCCC(C)O 34a_100016270725_100012276601 [1,1,0,0,0,0|1,0,1]=4 7344 B9R0.2 C/C=C/COCC[C@@H](C)N 34a_100000706166_100102629194 [1,1,0,0,0,0|1,0,1]=4 7345 B9R0.2 C/C=C/CSCCC(C)C 62a_100000210312_100102629194 [1,1,0,0,0,0|1,0,1]=4 7346 B9R0.2 C/C=C/CSCCC(C)C 62a_100102629194_100000210312 [1,1,0,0,0,0|1,0,1]=4 7347 B9R0.2 C/C=C/CSCCC(C)O 62a_100012276601_100102629194 [1,1,0,0,0,0|1,0,1]=4 7348 B9R0.2 C/C=C/CSCCC(C)O 62a_100102629194_100012276601 [1,1,0,0,0,0|1,0,1]=4 7349 B9R0.2 CC(C)CCCCCN[13CH3] 2230a_100011290863_200025704644 [1,1,0,0,0,0|1,0,1]=4 7350 B9R0.2 CC(C)CCCCCN[13CH3] 34a_100011290863_200025704644 [1,1,0,0,0,0|1,0,1]=4 7351 B9R0.2 CC(C)CCCCCO[13CH3] 34a_100011995859_200025704644 [1,1,0,0,0,0|1,0,1]=4 7352 B9R0.2 CC(C)CCCCCO[13CH3] 7a_100011995859_200025704644 [1,1,0,0,0,0|1,0,1]=4 7353 B9R0.2 CC(C)CCCCCS[13CH3] 62a_100000210682_200025704644 [1,1,0,0,0,0|1,0,1]=4 7354 B9R0.2 CC(C)CCCCCS[13CH3] 62a_200025704644_100000210682 [1,1,0,0,0,0|1,0,1]=4 7355 B9R0.2 CC(C)CCCCOCF 34a_100011214890_100015361967 [1,1,0,0,0,0|2,0,0]=4 7356 B9R0.2 CC(C)CCCCOCF 7a_100011214890_100015361967 [1,1,0,0,0,0|2,0,0]=4 7357 B9R0.2 CC(C)CCCCSCF 62a_100011216152_100015361967 [1,1,0,0,0,0|2,0,0]=4 7358 B9R0.2 CC(C)CCCCSCF 62a_100015361967_100011216152 [1,1,0,0,0,0|2,0,0]=4 7359 B9R0.2 CC(C)NCCCCCF 2230a_100138425928_100000729378 [1,1,0,0,0,0|2,0,0]=4 7360 B9R0.2 CC(C)NCCCCCF 34a_100138425928_100000729378 [1,1,0,0,0,0|2,0,0]=4 7361 B9R0.2 CC(C)NCCCCCO 2230a_100000762737_100000210206 [1,1,0,0,0,0|2,0,0]=4 7362 B9R0.2 CC(C)NCCCCCO 2230a_100138425928_100000746330 [1,1,0,0,0,0|2,0,0]=4 7363 B9R0.2 CC(C)NCCCCCO 34a_100000762737_100000210206 [1,1,0,0,0,0|2,0,0]=4 7364 B9R0.2 CC(C)NCCCCCO 34a_100138425928_100000746330 [1,1,0,0,0,0|2,0,0]=4 7365 B9R0.2 CC(C)NCCCCO[13CH3] 34a_100011521146_200025704644 [1,1,0,0,0,0|2,0,0]=4 7366 B9R0.2 CC(C)OCCCCCBr 34a_100000746331_100000210206 [1,1,0,0,0,0|2,0,0]=4 7367 B9R0.2 CC(C)OCCCCCBr 7a_100000746331_100000210206 [1,1,0,0,0,0|2,0,0]=4 7368 B9R0.2 CC(C)OCCCCCCl 34a_100000746330_100000210206 [1,1,0,0,0,0|2,0,0]=4 7369 B9R0.2 CC(C)OCCCCCCl 7a_100000746330_100000210206 [1,1,0,0,0,0|2,0,0]=4 7370 B9R0.2 CC(C)OCCCCCF 34a_100000212225_100000729378 [1,1,0,0,0,0|2,0,0]=4 7371 B9R0.2 CC(C)OCCCCCI 34a_200012148887_100000210206 [1,1,0,0,0,0|2,0,0]=4 7372 B9R0.2 CC(C)OCCCCCI 7a_200012148887_100000210206 [1,1,0,0,0,0|2,0,0]=4 7373 B9R0.2 CC(C)OCCCCCN 34a_100000762737_100000210206 [1,1,0,0,0,0|2,0,0]=4 7374 B9R0.2 CC(C)OCCCCCO 34a_100000212225_100000746330 [1,1,0,0,0,0|2,0,0]=4 7375 B9R0.2 CC(C)SCCCCCF 62a_100000210206_100000729378 [1,1,0,0,0,0|2,0,0]=4 7376 B9R0.2 CC(C)SCCCCCF 62a_100000729378_100000210206 [1,1,0,0,0,0|2,0,0]=4 7377 B9R0.2 CC(C)SCCCCCO 62a_100000210206_100000746330 [1,1,0,0,0,0|2,0,0]=4 7378 B9R0.2 CC(C)SCCCCCO 62a_100000746330_100000210206 [1,1,0,0,0,0|2,0,0]=4 7379 B9R0.2 CC/C=C\CCNC(C)C 2230a_100138425928_100015370543 [1,1,0,0,0,0|1,0,1]=4 7380 B9R0.2 CC/C=C\CCNC(C)C 34a_100138425928_100015370543 [1,1,0,0,0,0|1,0,1]=4 7381 B9R0.2 CC/C=C\CCOC(C)C 34a_100000212225_100015370543 [1,1,0,0,0,0|1,0,1]=4 7382 B9R0.2 CC/C=C\CCOC(C)C 34a_100016288707_100000210206 [1,1,0,0,0,0|1,0,1]=4 7383 B9R0.2 CC/C=C\CCOC(C)C 7a_100016288707_100000210206 [1,1,0,0,0,0|1,0,1]=4 7384 B9R0.2 CC/C=C\CCSC(C)C 62a_100000210206_100015370543 [1,1,0,0,0,0|1,0,1]=4 7385 B9R0.2 CC/C=C\CCSC(C)C 62a_100015370543_100000210206 [1,1,0,0,0,0|1,0,1]=4 7386 B9R0.2 CC/C=C\CNCC(C)C 2230a_100000210953_100103147603 [1,1,0,0,0,0|1,0,1]=4 7387 B9R0.2 CC/C=C\CNCC(C)C 34a_100000210953_100103147603 [1,1,0,0,0,0|1,0,1]=4 7388 B9R0.2 CC/C=C\CNCC(C)O 2230a_100000210904_100103147603 [1,1,0,0,0,0|1,0,1]=4 7389 B9R0.2 CC/C=C\CNCC(C)O 34a_100000210904_100103147603 [1,1,0,0,0,0|1,0,1]=4 7390 B9R0.2 CC/C=C\COCC(C)Br 34a_100012180447_100103147603 [1,1,0,0,0,0|1,0,1]=4 7391 B9R0.2 CC/C=C\COCC(C)C 34a_100000210257_100103147603 [1,1,0,0,0,0|1,0,1]=4 7392 B9R0.2 CC/C=C\COCC(C)C 34a_100016268518_100000210624 [1,1,0,0,0,0|1,0,1]=4 7393 B9R0.2 CC/C=C\COCC(C)F 34a_100015925927_100103147603 [1,1,0,0,0,0|1,0,1]=4 7394 B9R0.2 CC/C=C\COCC(C)O 34a_100016268518_100011218427 [1,1,0,0,0,0|1,0,1]=4 7395 B9R0.2 CC/C=C\COC[C@@H](C)Cl 34a_100016084084_100103147603 [1,1,0,0,0,0|1,0,1]=4 7396 B9R0.2 CC/C=C\COC[C@@H](C)N 34a_100000737577_100103147603 [1,1,0,0,0,0|1,0,1]=4 7397 B9R0.2 CC/C=C\COC[C@@H](C)O 34a_100016268518_100009817552 [1,1,0,0,0,0|1,0,1]=4 7398 B9R0.2 CC/C=C\CSCC(C)C 62a_100000210624_100103147603 [1,1,0,0,0,0|1,0,1]=4 7399 B9R0.2 CC/C=C\CSCC(C)C 62a_100103147603_100000210760 [1,1,0,0,0,0|1,0,1]=4 7400 B9R0.2 CC/C=C\CSCC(C)O 62a_100011218427_100103147603 [1,1,0,0,0,0|1,0,1]=4 7401 B9R0.2 CC/C=C\CSCC(C)O 62a_100103147603_100011218427 [1,1,0,0,0,0|1,0,1]=4 7402 B9R0.2 CC/C=C\CSC[C@@H](C)O 62a_100009817552_100103147603 [1,1,0,0,0,0|1,0,1]=4 7403 B9R0.2 CC/C=C\CSC[C@@H](C)O 62a_100103147603_100009817552 [1,1,0,0,0,0|1,0,1]=4 7404 B9R0.2 CC=CCCCOC(C)C 34a_100020645299_100000210206 [1,1,0,0,0,0|1,0,1]=4 7405 B9R0.2 CC=CCNCCC(C)O 2230a_200000755665_100000070051 [1,1,0,0,0,0|1,0,1]=4 7406 B9R0.2 CC=CCOCCC(C)Br 34a_100009893172_100000070051 [1,1,0,0,0,0|1,0,1]=4 7407 B9R0.2 CC=CCOCCC(C)C 34a_100000210254_100000070051 [1,1,0,0,0,0|1,0,1]=4 7408 B9R0.2 CC=CCOCCC(C)C 7a_100000210254_100000070051 [1,1,0,0,0,0|1,0,1]=4 7409 B9R0.2 CC=CCOCC[C@@H](C)N 34a_100000706166_100000070051 [1,1,0,0,0,0|1,0,1]=4 7410 B9R0.2 CC=CCSCCC(C)C 62a_100000070051_100000210312 [1,1,0,0,0,0|1,0,1]=4 7411 B9R0.2 CC=CCSCCC(C)C 62a_100000210312_100000070051 [1,1,0,0,0,0|1,0,1]=4 7412 B9R0.2 CC=CCSCCC(C)O 62a_100000070051_100012276601 [1,1,0,0,0,0|1,0,1]=4 7413 B9R0.2 CC=CCSCCC(C)O 62a_100012276601_100000070051 [1,1,0,0,0,0|1,0,1]=4 7414 B9R0.2 CCCCCC=CC(=O)C 1458a_100016263427_200000210301 [1,1,0,0,0,0|0,0,2]=4 7415 B9R0.2 CCCCCC=CC(=O)[13CH3] 1458a_100016263427_200025704644 [1,1,0,0,0,0|0,0,2]=4 7416 B9R0.2 CCCCCCCC(=O)C 1458a_100000070787_100000210614 [1,1,0,0,0,0|0,0,2]=4 7417 B9R0.2 CCCCCCCC(=O)C 1458a_100000211969_200000210301 [1,1,0,0,0,0|0,0,2]=4 7418 B9R0.2 CCCCCCCC(=O)[13CH3] 1458a_100000211969_200025704644 [1,1,0,0,0,0|0,0,2]=4 7419 B9R0.2 CCCCCCCN(C)C 2230a_100000228206_200000210301 [1,1,0,0,0,0|1,0,1]=4 7420 B9R0.2 CCCCCCCN(C)C 2230a_100102631434_100000210681 [1,1,0,0,0,0|1,0,1]=4 7421 B9R0.2 CCCCCCCN(C)C 269982a_100000228206_200000210301 [1,1,0,0,0,0|1,0,1]=4 7422 B9R0.2 CCCCCCCN(C)C 269982a_100102631434_100000210681 [1,1,0,0,0,0|1,0,1]=4 7423 B9R0.2 CCCCCCCN(C)[13CH3] 2230a_100000228206_200025704644 [1,1,0,0,0,0|1,0,1]=4 7424 B9R0.2 CCCCCCCN(C)[13CH3] 269982a_100000228206_200025704644 [1,1,0,0,0,0|1,0,1]=4 7425 B9R0.2 CCCCCCNC(=O)C 11a_100000210581_100015343762 [1,1,0,0,0,0|1,0,1]=4 7426 B9R0.2 CCCCCCNC(=O)C 1626a_100000210581_100015343762 [1,1,0,0,0,0|1,0,1]=4 7427 B9R0.2 CCCCCCNC(=O)C 240690a_100000210581_100015343762 [1,1,0,0,0,0|1,0,1]=4 7428 B9R0.2 CCCCCCNC(=O)C 527a_100000210581_100103153847 [1,1,0,0,0,0|1,0,1]=4 7429 B9R0.2 CCCCCCNC(C)C 2230a_100000210581_100000210206 [1,1,0,0,0,0|1,0,0]=3 7430 B9R0.2 CCCCCCNC(C)C 2230a_100138425928_100000210314 [1,1,0,0,0,0|1,0,0]=3 7431 B9R0.2 CCCCCCNC(C)C 34a_100138425928_100000210314 [1,1,0,0,0,0|1,0,0]=3 7432 B9R0.2 CCCCCCOC(C)C 34a_100000210259_100000210206 [1,1,0,0,0,0|1,0,0]=3 7433 B9R0.2 CCCCCCOC(C)C 34a_100000212225_100000210314 [1,1,0,0,0,0|1,0,0]=3 7434 B9R0.2 CCCCCCOC(C)C 7a_100000210259_100000210206 [1,1,0,0,0,0|1,0,0]=3 7435 B9R0.2 CCCCCCSC(C)C 62a_100000210206_100000210757 [1,1,0,0,0,0|1,0,0]=3 7436 B9R0.2 CCCCCCSC(C)C 62a_100000210314_100000210206 [1,1,0,0,0,0|1,0,0]=3 7437 B9R0.2 CCCCCNCC(C)C 2230a_100000209983_100000210760 [1,1,0,0,0,0|1,0,1]=4 7438 B9R0.2 CCCCCNCC(C)C 2230a_100000210953_100000210326 [1,1,0,0,0,0|1,0,1]=4 7439 B9R0.2 CCCCCNCC(C)C 270004a_100000209983_100000210432 [1,1,0,0,0,0|1,0,1]=4 7440 B9R0.2 CCCCCNCC(C)C 34a_100000210953_100000718602 [1,1,0,0,0,0|1,0,1]=4 7441 B9R0.2 CCCCCNCC(C)O 2230a_100000209983_100011218427 [1,1,0,0,0,0|1,0,1]=4 7442 B9R0.2 CCCCCNCC(C)O 2230a_100000210904_100000210326 [1,1,0,0,0,0|1,0,1]=4 7443 B9R0.2 CCCCCNCC(C)O 34a_100000210904_100000718602 [1,1,0,0,0,0|1,0,1]=4 7444 B9R0.2 CCCCCNC[C@@H](C)O 2230a_100000209983_100009817552 [1,1,0,0,0,0|1,0,1]=4 7445 B9R0.2 CCCCCOCC(C)Br 34a_100012180447_100000718602 [1,1,0,0,0,0|1,0,1]=4 7446 B9R0.2 CCCCCOCC(C)C 34a_100000210253_100000210624 [1,1,0,0,0,0|1,0,1]=4 7447 B9R0.2 CCCCCOCC(C)C 34a_100000210257_100000718602 [1,1,0,0,0,0|1,0,1]=4 7448 B9R0.2 CCCCCOCC(C)C 7a_100000210253_100000210760 [1,1,0,0,0,0|1,0,1]=4 7449 B9R0.2 CCCCCOCC(C)F 34a_100015925927_100000718602 [1,1,0,0,0,0|1,0,1]=4 7450 B9R0.2 CCCCCOCC(C)O 34a_100000210253_100011218427 [1,1,0,0,0,0|1,0,1]=4 7451 B9R0.2 CCCCCOCC(C)O 7a_100000210253_100011218427 [1,1,0,0,0,0|1,0,1]=4 7452 B9R0.2 CCCCCOC[C@@H](C)Cl 34a_100016084084_100000718602 [1,1,0,0,0,0|1,0,1]=4 7453 B9R0.2 CCCCCOC[C@@H](C)N 34a_100000737577_100000718602 [1,1,0,0,0,0|1,0,1]=4 7454 B9R0.2 CCCCCOC[C@@H](C)O 34a_100000210253_100009817552 [1,1,0,0,0,0|1,0,1]=4 7455 B9R0.2 CCCCCOC[C@@H](C)O 7a_100000210253_100009817552 [1,1,0,0,0,0|1,0,1]=4 7456 B9R0.2 CCCCCSCC(C)C 62a_100000210326_100000210760 [1,1,0,0,0,0|1,0,1]=4 7457 B9R0.2 CCCCCSCC(C)C 62a_100000210624_100000210326 [1,1,0,0,0,0|1,0,1]=4 7458 B9R0.2 CCCCCSCC(C)O 62a_100000210326_100011218427 [1,1,0,0,0,0|1,0,1]=4 7459 B9R0.2 CCCCCSCC(C)O 62a_100011218427_100000210326 [1,1,0,0,0,0|1,0,1]=4 7460 B9R0.2 CCCCCSC[C@@H](C)O 62a_100000210326_100009817552 [1,1,0,0,0,0|1,0,1]=4 7461 B9R0.2 CCCCCSC[C@@H](C)O 62a_100009817552_100000210326 [1,1,0,0,0,0|1,0,1]=4 7462 B9R0.2 CCCCNCC=C(C)C 2230a_100000102301_100000761012 [1,1,0,0,0,0|1,0,1]=4 7463 B9R0.2 CCCCNCC=C(C)C 34a_100000718196_100000210210 [1,1,0,0,0,0|1,0,1]=4 7464 B9R0.2 CCCCNCC=C(C)C 7a_106832991798_100000761012 [1,1,0,0,0,0|1,0,1]=4 7465 B9R0.2 CCCCNCCC(C)C 2230a_100000102301_100000210312 [1,1,0,0,0,0|1,0,1]=4 7466 B9R0.2 CCCCNCCC(C)C 269862a_100000102301_100000185833 [1,1,0,0,0,0|1,0,1]=4 7467 B9R0.2 CCCCNCCC(C)C 7a_106832991798_100000210626 [1,1,0,0,0,0|1,0,1]=4 7468 B9R0.2 CCCCNCCC(C)O 2230a_100000102301_100012276601 [1,1,0,0,0,0|1,0,1]=4 7469 B9R0.2 CCCCNCCC(C)O 2230a_200000755665_100000210211 [1,1,0,0,0,0|1,0,1]=4 7470 B9R0.2 CCCCNCCC(C)O 7a_106832991798_100012276601 [1,1,0,0,0,0|1,0,1]=4 7471 B9R0.2 CCCCNCOC(C)C 2230a_100000102301_100000709892 [1,1,0,0,0,0|2,0,0]=4 7472 B9R0.2 CCCCNN=CC(C)C 4a_100025702795_100000210432 [1,1,0,0,0,0|2,0,0]=4 7473 B9R0.2 CCCCOCC=C(C)C 34a_100000210227_100000761012 [1,1,0,0,0,0|1,0,1]=4 7474 B9R0.2 CCCCOCC=C(C)C 34a_100000753907_100000210210 [1,1,0,0,0,0|1,0,1]=4 7475 B9R0.2 CCCCOCC=C(C)C 7a_100000210227_100000761012 [1,1,0,0,0,0|1,0,1]=4 7476 B9R0.2 CCCCOCCC(C)Br 34a_100009893172_100000210210 [1,1,0,0,0,0|1,0,1]=4 7477 B9R0.2 CCCCOCCC(C)C 34a_100000210227_100000210312 [1,1,0,0,0,0|1,0,1]=4 7478 B9R0.2 CCCCOCCC(C)C 34a_100000210254_100000210210 [1,1,0,0,0,0|1,0,1]=4 7479 B9R0.2 CCCCOCCC(C)C 7a_100000210227_100000210626 [1,1,0,0,0,0|1,0,1]=4 7480 B9R0.2 CCCCOCCC(C)C 7a_100000210254_100000210211 [1,1,0,0,0,0|1,0,1]=4 7481 B9R0.2 CCCCOCCC(C)O 34a_100000210227_100012276601 [1,1,0,0,0,0|1,0,1]=4 7482 B9R0.2 CCCCOCCC(C)O 7a_100000210227_100012276601 [1,1,0,0,0,0|1,0,1]=4 7483 B9R0.2 CCCCOCC[C@@H](C)N 34a_100000706166_100000210210 [1,1,0,0,0,0|1,0,1]=4 7484 B9R0.2 CCCCOCNC(C)C 2230a_100138425928_100011995733 [1,1,0,0,0,0|2,0,0]=4 7485 B9R0.2 CCCCOCNC(C)C 34a_100138425928_100011995733 [1,1,0,0,0,0|2,0,0]=4 7486 B9R0.2 CCCCOCOC(C)C 34a_100000210227_100000709892 [1,1,0,0,0,0|2,0,0]=4 7487 B9R0.2 CCCCOCOC(C)C 34a_100000212225_100011995733 [1,1,0,0,0,0|2,0,0]=4 7488 B9R0.2 CCCCOCSC(C)C 62a_100000210206_100011995733 [1,1,0,0,0,0|2,0,0]=4 7489 B9R0.2 CCCCOCSC(C)C 62a_100011995733_100000210206 [1,1,0,0,0,0|2,0,0]=4 7490 B9R0.2 CCCCSCC=C(C)C 62a_100000210211_100000761012 [1,1,0,0,0,0|1,0,1]=4 7491 B9R0.2 CCCCSCC=C(C)C 62a_100000761012_100000210210 [1,1,0,0,0,0|1,0,1]=4 7492 B9R0.2 CCCCSCCC(C)C 62a_100000210211_100000210312 [1,1,0,0,0,0|1,0,1]=4 7493 B9R0.2 CCCCSCCC(C)C 62a_100000210312_100000210210 [1,1,0,0,0,0|1,0,1]=4 7494 B9R0.2 CCCCSCCC(C)O 62a_100000210211_100012276601 [1,1,0,0,0,0|1,0,1]=4 7495 B9R0.2 CCCCSCCC(C)O 62a_100012276601_100000210210 [1,1,0,0,0,0|1,0,1]=4 7496 B9R0.2 CCCCSCOC(C)C 62a_100000210211_100000709892 [1,1,0,0,0,0|2,0,0]=4 7497 B9R0.2 CCCCSCOC(C)C 62a_100000709892_100000210210 [1,1,0,0,0,0|2,0,0]=4 7498 B9R0.2 CCCNCCCC(C)C 2230a_200000737386_100000210303 [1,1,0,0,0,0|1,0,1]=4 7499 B9R0.2 CCCNCCCC(C)C 34a_200000737386_100000210303 [1,1,0,0,0,0|1,0,1]=4 7500 B9R0.2 CCCNCCOC(C)C 2230a_100000701111_100000210303 [1,1,0,0,0,0|2,0,0]=4 7501 B9R0.2 CCCNCCOC(C)C 34a_100000701111_100000210303 [1,1,0,0,0,0|2,0,0]=4 7502 B9R0.2 CCCNCCSC(C)C 2230a_100000731138_100000210303 [1,1,0,0,0,0|2,0,0]=4 7503 B9R0.2 CCCNCCSC(C)C 34a_100000731138_100000210303 [1,1,0,0,0,0|2,0,0]=4 7504 B9R0.2 CCCOCCC=C(C)C 34a_100000210258_100011217483 [1,1,0,0,0,0|1,0,1]=4 7505 B9R0.2 CCCOCCCC(C)C 34a_100000210258_100011214892 [1,1,0,0,0,0|1,0,1]=4 7506 B9R0.2 CCCOCCCC(C)C 34a_100000210774_100000210303 [1,1,0,0,0,0|1,0,1]=4 7507 B9R0.2 CCCOCCCC(C)C 7a_100000210774_100000210303 [1,1,0,0,0,0|1,0,1]=4 7508 B9R0.2 CCCOCCCC(C)O 34a_100000210258_200000718107 [1,1,0,0,0,0|1,0,1]=4 7509 B9R0.2 CCCOCCNC(C)C 2230a_100138425928_100011215938 [1,1,0,0,0,0|2,0,0]=4 7510 B9R0.2 CCCOCCNC(C)C 2230a_100161115042_100000210206 [1,1,0,0,0,0|2,0,0]=4 7511 B9R0.2 CCCOCCNC(C)C 34a_100000224655_100000210303 [1,1,0,0,0,0|2,0,0]=4 7512 B9R0.2 CCCOCCNC(C)C 34a_100138425928_100011215938 [1,1,0,0,0,0|2,0,0]=4 7513 B9R0.2 CCCOCCNC(C)C 34a_100161115042_100000210206 [1,1,0,0,0,0|2,0,0]=4 7514 B9R0.2 CCCOCCOC(C)C 34a_100000210258_100000211751 [1,1,0,0,0,0|2,0,0]=4 7515 B9R0.2 CCCOCCOC(C)C 34a_100000211219_100000210303 [1,1,0,0,0,0|2,0,0]=4 7516 B9R0.2 CCCOCCOC(C)C 34a_100000212225_100011215938 [1,1,0,0,0,0|2,0,0]=4 7517 B9R0.2 CCCOCCOC(C)C 34a_100000752267_100000210206 [1,1,0,0,0,0|2,0,0]=4 7518 B9R0.2 CCCOCCOC(C)C 7a_100000211219_100000210303 [1,1,0,0,0,0|2,0,0]=4 7519 B9R0.2 CCCOCCOC(C)C 7a_100000752267_100000210206 [1,1,0,0,0,0|2,0,0]=4 7520 B9R0.2 CCCOCCSC(C)C 34a_100000210258_100000730970 [1,1,0,0,0,0|2,0,0]=4 7521 B9R0.2 CCCOCCSC(C)C 34a_200011212901_100000210303 [1,1,0,0,0,0|2,0,0]=4 7522 B9R0.2 CCCOCCSC(C)C 62a_100000210206_100011215938 [1,1,0,0,0,0|2,0,0]=4 7523 B9R0.2 CCCOCCSC(C)C 62a_100011215938_100000210206 [1,1,0,0,0,0|2,0,0]=4 7524 B9R0.2 CCCOCCSC(C)C 7a_200011212901_100000210303 [1,1,0,0,0,0|2,0,0]=4 7525 B9R0.2 CCCSCCC=C(C)C 62a_100000210303_100011217483 [1,1,0,0,0,0|1,0,1]=4 7526 B9R0.2 CCCSCCC=C(C)C 62a_100011217483_100000210303 [1,1,0,0,0,0|1,0,1]=4 7527 B9R0.2 CCCSCCCC(C)C 62a_100000210303_100011214892 [1,1,0,0,0,0|1,0,1]=4 7528 B9R0.2 CCCSCCCC(C)C 62a_100011214892_100000210303 [1,1,0,0,0,0|1,0,1]=4 7529 B9R0.2 CCCSCCCC(C)O 62a_100000210303_200000718107 [1,1,0,0,0,0|1,0,1]=4 7530 B9R0.2 CCCSCCCC(C)O 62a_200000718107_100000210303 [1,1,0,0,0,0|1,0,1]=4 7531 B9R0.2 CCCSCCNC(C)C 2230a_100020603323_100000210206 [1,1,0,0,0,0|2,0,0]=4 7532 B9R0.2 CCCSCCOC(C)C 34a_200000230433_100000210206 [1,1,0,0,0,0|2,0,0]=4 7533 B9R0.2 CCCSCCOC(C)C 62a_100000210303_100000211751 [1,1,0,0,0,0|2,0,0]=4 7534 B9R0.2 CCCSCCOC(C)C 62a_100000211751_100000210303 [1,1,0,0,0,0|2,0,0]=4 7535 B9R0.2 CCCSCCOC(C)C 7a_200000230433_100000210206 [1,1,0,0,0,0|2,0,0]=4 7536 B9R0.2 CCCSCCSC(C)C 62a_100000210303_100000730970 [1,1,0,0,0,0|2,0,0]=4 7537 B9R0.2 CCCSCCSC(C)C 62a_100000730970_100000210303 [1,1,0,0,0,0|2,0,0]=4 7538 B9R0.2 CCNCCCCC(C)C 2230a_100015525214_100011216152 [1,1,0,0,0,0|1,0,0]=3 7539 B9R0.2 CCNCCCOC(C)C 2230a_100000737246_100000210202 [1,1,0,0,0,0|2,0,0]=4 7540 B9R0.2 CCNCCCOC(C)C 34a_100000737246_100000210202 [1,1,0,0,0,0|2,0,0]=4 7541 B9R0.2 CCOCCCCC(=O)C 34a_100121572206_100009817362 [1,1,0,0,0,0|1,0,1]=4 7542 B9R0.2 CCOCCCCC(C)C 34a_100011214890_100000210202 [1,1,0,0,0,0|1,0,0]=3 7543 B9R0.2 CCOCCCCC(C)C 34a_100121572206_100011216152 [1,1,0,0,0,0|1,0,0]=3 7544 B9R0.2 CCOCCCCC(C)C 7a_100011214890_100000210202 [1,1,0,0,0,0|1,0,0]=3 7545 B9R0.2 CCOCCCNC(C)C 2230a_100000210961_100000210206 [1,1,0,0,0,0|2,0,0]=4 7546 B9R0.2 CCOCCCNC(C)C 2230a_100138425928_100012232248 [1,1,0,0,0,0|2,0,0]=4 7547 B9R0.2 CCOCCCNC(C)C 34a_100000182298_100000210202 [1,1,0,0,0,0|2,0,0]=4 7548 B9R0.2 CCOCCCNC(C)C 34a_100000210961_100000210206 [1,1,0,0,0,0|2,0,0]=4 7549 B9R0.2 CCOCCCNC(C)C 34a_100138425928_100012232248 [1,1,0,0,0,0|2,0,0]=4 7550 B9R0.2 CCOCCCOC(C)C 34a_100000212225_100012232248 [1,1,0,0,0,0|2,0,0]=4 7551 B9R0.2 CCOCCCOC(C)C 34a_100000757476_100000210206 [1,1,0,0,0,0|2,0,0]=4 7552 B9R0.2 CCOCCCOC(C)C 7a_100000757476_100000210206 [1,1,0,0,0,0|2,0,0]=4 7553 B9R0.2 CCOCCCSC(C)C 62a_100000210206_100012232248 [1,1,0,0,0,0|2,0,0]=4 7554 B9R0.2 CCOCCCSC(C)C 62a_100012232248_100000210206 [1,1,0,0,0,0|2,0,0]=4 7555 B9R0.2 CCOCCNCC(C)C 2230a_100000210953_100011215890 [1,1,0,0,0,0|2,0,0]=4 7556 B9R0.2 CCOCCNCC(C)C 2230a_102516460346_100000210760 [1,1,0,0,0,0|2,0,0]=4 7557 B9R0.2 CCOCCNCC(C)C 270004a_102516460346_100000210432 [1,1,0,0,0,0|2,0,0]=4 7558 B9R0.2 CCOCCNCC(C)C 34a_100000210953_100000210147 [1,1,0,0,0,0|2,0,0]=4 7559 B9R0.2 CCOCCNCC(C)C 34a_100015185251_100000210202 [1,1,0,0,0,0|2,0,0]=4 7560 B9R0.2 CCOCCNCC(C)C 34a_102516460346_100000210624 [1,1,0,0,0,0|2,0,0]=4 7561 B9R0.2 CCOCCNCC(C)O 2230a_100000210904_100011215890 [1,1,0,0,0,0|2,0,0]=4 7562 B9R0.2 CCOCCNCC(C)O 2230a_102516460346_100011218427 [1,1,0,0,0,0|2,0,0]=4 7563 B9R0.2 CCOCCNCC(C)O 34a_100000210904_100000210147 [1,1,0,0,0,0|2,0,0]=4 7564 B9R0.2 CCOCCNCC(C)O 34a_102516460346_100011218427 [1,1,0,0,0,0|2,0,0]=4 7565 B9R0.2 CCOCCNC[C@@H](C)O 2230a_102516460346_100009817552 [1,1,0,0,0,0|2,0,0]=4 7566 B9R0.2 CCOCCNC[C@@H](C)O 34a_102516460346_100009817552 [1,1,0,0,0,0|2,0,0]=4 7567 B9R0.2 CCOCCOCC(C)Br 34a_100012180447_100000210147 [1,1,0,0,0,0|2,0,0]=4 7568 B9R0.2 CCOCCOCC(C)C 34a_100000210136_100000210624 [1,1,0,0,0,0|2,0,0]=4 7569 B9R0.2 CCOCCOCC(C)C 34a_100000210257_100000210147 [1,1,0,0,0,0|2,0,0]=4 7570 B9R0.2 CCOCCOCC(C)C 34a_100000703358_100000210202 [1,1,0,0,0,0|2,0,0]=4 7571 B9R0.2 CCOCCOCC(C)C 7a_100000210136_100000210760 [1,1,0,0,0,0|2,0,0]=4 7572 B9R0.2 CCOCCOCC(C)C 7a_100000703358_100000210202 [1,1,0,0,0,0|2,0,0]=4 7573 B9R0.2 CCOCCOCC(C)F 34a_100015925927_100000210147 [1,1,0,0,0,0|2,0,0]=4 7574 B9R0.2 CCOCCOCC(C)O 34a_100000210136_100011218427 [1,1,0,0,0,0|2,0,0]=4 7575 B9R0.2 CCOCCOCC(C)O 7a_100000210136_100011218427 [1,1,0,0,0,0|2,0,0]=4 7576 B9R0.2 CCOCCOC[C@@H](C)Cl 34a_100016084084_100000210147 [1,1,0,0,0,0|2,0,0]=4 7577 B9R0.2 CCOCCOC[C@@H](C)N 34a_100000737577_100000210147 [1,1,0,0,0,0|2,0,0]=4 7578 B9R0.2 CCOCCOC[C@@H](C)O 34a_100000210136_100009817552 [1,1,0,0,0,0|2,0,0]=4 7579 B9R0.2 CCOCCOC[C@@H](C)O 7a_100000210136_100009817552 [1,1,0,0,0,0|2,0,0]=4 7580 B9R0.2 CCOCCSCC(C)C 34a_200000230437_100000210202 [1,1,0,0,0,0|2,0,0]=4 7581 B9R0.2 CCOCCSCC(C)C 62a_100000210147_100000210760 [1,1,0,0,0,0|2,0,0]=4 7582 B9R0.2 CCOCCSCC(C)C 62a_100000210624_100011215890 [1,1,0,0,0,0|2,0,0]=4 7583 B9R0.2 CCOCCSCC(C)C 7a_200000230437_100000210202 [1,1,0,0,0,0|2,0,0]=4 7584 B9R0.2 CCOCCSCC(C)O 62a_100000210147_100011218427 [1,1,0,0,0,0|2,0,0]=4 7585 B9R0.2 CCOCCSCC(C)O 62a_100011218427_100011215890 [1,1,0,0,0,0|2,0,0]=4 7586 B9R0.2 CCOCCSC[C@@H](C)O 62a_100000210147_100009817552 [1,1,0,0,0,0|2,0,0]=4 7587 B9R0.2 CCOCCSC[C@@H](C)O 62a_100009817552_100011215890 [1,1,0,0,0,0|2,0,0]=4 7588 B9R0.2 CCOCSCCC(C)C 62a_100000210312_100000739092 [1,1,0,0,0,0|2,0,0]=4 7589 B9R0.2 CCOCSCCC(C)C 62a_100000739092_100000210312 [1,1,0,0,0,0|2,0,0]=4 7590 B9R0.2 CCOCSCCC(C)O 62a_100000739092_100012276601 [1,1,0,0,0,0|2,0,0]=4 7591 B9R0.2 CCOCSCCC(C)O 62a_100012276601_100000739092 [1,1,0,0,0,0|2,0,0]=4 7592 B9R0.2 CCSCCCCC(=O)C 62a_100000210202_100000735457 [1,1,0,0,0,0|1,0,1]=4 7593 B9R0.2 CCSCCCCC(=O)C 62a_100000735457_100000210202 [1,1,0,0,0,0|1,0,1]=4 7594 B9R0.2 CCSCCCCC(C)C 62a_100000210202_100011216152 [1,1,0,0,0,0|1,0,0]=3 7595 B9R0.2 CCSCCCCC(C)C 62a_100011216152_100000210202 [1,1,0,0,0,0|1,0,0]=3 7596 B9R0.2 CCSCCCCN(C)C 62a_100000210202_100000690147 [1,1,0,0,0,0|2,0,0]=4 7597 B9R0.2 CCSCCCOC(C)C 34a_100011216438_100000210206 [1,1,0,0,0,0|2,0,0]=4 7598 B9R0.2 CCSCCCOC(C)C 7a_100011216438_100000210206 [1,1,0,0,0,0|2,0,0]=4 7599 B9R0.2 CCSCCNCC(C)C 2230a_100000106463_100000210760 [1,1,0,0,0,0|2,0,0]=4 7600 B9R0.2 CCSCCNCC(C)C 2230a_100000210953_100000757381 [1,1,0,0,0,0|2,0,0]=4 7601 B9R0.2 CCSCCNCC(C)C 270004a_100000106463_100000210432 [1,1,0,0,0,0|2,0,0]=4 7602 B9R0.2 CCSCCNCC(C)C 34a_100000210953_100000757381 [1,1,0,0,0,0|2,0,0]=4 7603 B9R0.2 CCSCCNCC(C)O 2230a_100000106463_100011218427 [1,1,0,0,0,0|2,0,0]=4 7604 B9R0.2 CCSCCNCC(C)O 2230a_100000210904_100000757381 [1,1,0,0,0,0|2,0,0]=4 7605 B9R0.2 CCSCCNCC(C)O 34a_100000210904_100000757381 [1,1,0,0,0,0|2,0,0]=4 7606 B9R0.2 CCSCCNC[C@@H](C)O 2230a_100000106463_100009817552 [1,1,0,0,0,0|2,0,0]=4 7607 B9R0.2 CCSCCOCC(C)Br 34a_100012180447_100000757381 [1,1,0,0,0,0|2,0,0]=4 7608 B9R0.2 CCSCCOCC(C)C 34a_100000210257_100000757381 [1,1,0,0,0,0|2,0,0]=4 7609 B9R0.2 CCSCCOCC(C)C 34a_100000212035_100000210624 [1,1,0,0,0,0|2,0,0]=4 7610 B9R0.2 CCSCCOCC(C)C 7a_100000212035_100000210760 [1,1,0,0,0,0|2,0,0]=4 7611 B9R0.2 CCSCCOCC(C)F 34a_100015925927_100000757381 [1,1,0,0,0,0|2,0,0]=4 7612 B9R0.2 CCSCCOCC(C)O 34a_100000212035_100011218427 [1,1,0,0,0,0|2,0,0]=4 7613 B9R0.2 CCSCCOCC(C)O 7a_100000212035_100011218427 [1,1,0,0,0,0|2,0,0]=4 7614 B9R0.2 CCSCCOC[C@@H](C)Cl 34a_100016084084_100000757381 [1,1,0,0,0,0|2,0,0]=4 7615 B9R0.2 CCSCCOC[C@@H](C)N 34a_100000737577_100000757381 [1,1,0,0,0,0|2,0,0]=4 7616 B9R0.2 CCSCCOC[C@@H](C)O 34a_100000212035_100009817552 [1,1,0,0,0,0|2,0,0]=4 7617 B9R0.2 CCSCCOC[C@@H](C)O 7a_100000212035_100009817552 [1,1,0,0,0,0|2,0,0]=4 7618 B9R0.2 CCSCCSCC(C)C 62a_100000210624_100000757381 [1,1,0,0,0,0|2,0,0]=4 7619 B9R0.2 CCSCCSCC(C)C 62a_100000757381_100000210760 [1,1,0,0,0,0|2,0,0]=4 7620 B9R0.2 CCSCCSCC(C)O 62a_100000757381_100011218427 [1,1,0,0,0,0|2,0,0]=4 7621 B9R0.2 CCSCCSCC(C)O 62a_100011218427_100000757381 [1,1,0,0,0,0|2,0,0]=4 7622 B9R0.2 CCSCCSC[C@@H](C)O 62a_100000757381_100009817552 [1,1,0,0,0,0|2,0,0]=4 7623 B9R0.2 CCSCCSC[C@@H](C)O 62a_100009817552_100000757381 [1,1,0,0,0,0|2,0,0]=4 7624 B9R0.2 CNCCCCCC(C)C 2230a_100011290863_200000210301 [1,1,0,0,0,0|1,0,1]=4 7625 B9R0.2 CNCCCCCC(C)C 2230a_106832991635_100000210682 [1,1,0,0,0,0|1,0,1]=4 7626 B9R0.2 CNCCCCCC(C)C 34a_100011290863_200000210301 [1,1,0,0,0,0|1,0,1]=4 7627 B9R0.2 CNCCCCCC(C)C 34a_100102657272_100000210682 [1,1,0,0,0,0|1,0,1]=4 7628 B9R0.2 CNCCCCCC(C)C 7a_106832991635_100000210682 [1,1,0,0,0,0|1,0,1]=4 7629 B9R0.2 COCCCCCC(C)C 34a_100011995859_200000210301 [1,1,0,0,0,0|1,0,1]=4 7630 B9R0.2 COCCCCCC(C)C 34a_100138415774_100000210682 [1,1,0,0,0,0|1,0,1]=4 7631 B9R0.2 COCCCCCC(C)C 7a_100011995859_200000210301 [1,1,0,0,0,0|1,0,1]=4 7632 B9R0.2 COCCCCNC(C)C 2230a_100138425928_100000730899 [1,1,0,0,0,0|2,0,0]=4 7633 B9R0.2 COCCCCNC(C)C 34a_100011521146_200000210301 [1,1,0,0,0,0|2,0,0]=4 7634 B9R0.2 COCCCCNC(C)C 34a_100138425928_100000755781 [1,1,0,0,0,0|2,0,0]=4 7635 B9R0.2 COCCCCOC(C)C 34a_100000212225_100000755781 [1,1,0,0,0,0|2,0,0]=4 7636 B9R0.2 COCCCCOC(C)C 34a_100000740925_100000210206 [1,1,0,0,0,0|2,0,0]=4 7637 B9R0.2 COCCCCSC(C)C 62a_100000210206_100000730899 [1,1,0,0,0,0|2,0,0]=4 7638 B9R0.2 COCCCCSC(C)C 62a_100000730899_100000210206 [1,1,0,0,0,0|2,0,0]=4 7639 B9R0.2 CSCCCCCC(C)C 62a_100000210682_200000210301 [1,1,0,0,0,0|1,0,1]=4 7640 B9R0.2 CSCCCCCC(C)C 62a_200000210301_100000210682 [1,1,0,0,0,0|1,0,1]=4 7641 B9R0.2 CSCCCCOC(C)C 34a_100011217163_100000210206 [1,1,0,0,0,0|2,0,0]=4 7642 B9R0.2 CSCCCCOC(C)C 7a_100011217163_100000210206 [1,1,0,0,0,0|2,0,0]=4 7643 B9R0.5 C/C=C/C(C)OCCCC 34a_200102604097_100000210210 [1,1,0,0,0,0|1,0,1]=4 7644 B9R0.5 C/C=C/COC(C)CCC 34a_100000764384_100102629194 [1,1,0,0,0,0|1,0,1]=4 7645 B9R0.5 C/C=C/COC(C)CCC 34a_100016270725_100000766640 [1,1,0,0,0,0|1,0,1]=4 7646 B9R0.5 C/C=C/COC(C)CCC 7a_100000764384_100102629194 [1,1,0,0,0,0|1,0,1]=4 7647 B9R0.5 C/C=C/CSC(C)CCC 62a_100000766640_100102629194 [1,1,0,0,0,0|1,0,1]=4 7648 B9R0.5 C/C=C/CSC(C)CCC 62a_100102629194_100000766640 [1,1,0,0,0,0|1,0,1]=4 7649 B9R0.5 CC/C=C/CC(=O)CCC 1458a_100016274230_100000210303 [1,1,0,0,0,0|0,0,2]=4 7650 B9R0.5 CC/C=C\CC(=O)CCC 1458a_100000211992_100103147603 [1,1,0,0,0,0|0,0,2]=4 7651 B9R0.5 CC/C=C\CN(C)CCC 2230a_100000747261_100103147603 [1,1,0,0,0,0|1,0,1]=4 7652 B9R0.5 CC/C=C\CN(C)CCC 269982a_100000747261_100103147603 [1,1,0,0,0,0|1,0,1]=4 7653 B9R0.5 CC=CC(=O)CCCCC 1458a_100000210699_100000210326 [1,1,0,0,0,0|0,0,2]=4 7654 B9R0.5 CC=CCNC(C)CCC 2230a_100000741246_100000070051 [1,1,0,0,0,0|1,0,1]=4 7655 B9R0.5 CC=CCOC(C)CCC 34a_100000764384_100000070051 [1,1,0,0,0,0|1,0,1]=4 7656 B9R0.5 CC=CCOC(C)CCC 7a_100000764384_100000070051 [1,1,0,0,0,0|1,0,1]=4 7657 B9R0.5 CC=CCSC(C)CCC 62a_100000070051_100000766640 [1,1,0,0,0,0|1,0,1]=4 7658 B9R0.5 CC=CCSC(C)CCC 62a_100000766640_100000070051 [1,1,0,0,0,0|1,0,1]=4 7659 B9R0.5 CCCC(=O)CCOCC 1458a_100000211992_100011215890 [1,1,0,0,0,0|1,0,1]=4 7660 B9R0.5 CCCC(=O)CCOCC 1458a_100000749530_100000210303 [1,1,0,0,0,0|1,0,1]=4 7661 B9R0.5 CCCC(=O)CCSCC 1458a_100000211992_100000757381 [1,1,0,0,0,0|1,0,1]=4 7662 B9R0.5 CCCC(=O)CCSCC 1458a_100000230768_100000210303 [1,1,0,0,0,0|1,0,1]=4 7663 B9R0.5 CCCC(C)CCCOC 34a_100011713154_200000210301 [1,1,0,0,0,0|1,0,1]=4 7664 B9R0.5 CCCC(C)CCCOC 7a_100011713154_200000210301 [1,1,0,0,0,0|1,0,1]=4 7665 B9R0.5 CCCC(C)CCCO[13CH3] 34a_100011713154_200025704644 [1,1,0,0,0,0|1,0,1]=4 7666 B9R0.5 CCCC(C)CCCO[13CH3] 7a_100011713154_200025704644 [1,1,0,0,0,0|1,0,1]=4 7667 B9R0.5 CCCC(C)CCOCC 34a_100011217855_100000210202 [1,1,0,0,0,0|1,0,0]=3 7668 B9R0.5 CCCC(C)CCOCC 7a_100011217855_100000210202 [1,1,0,0,0,0|1,0,0]=3 7669 B9R0.5 CCCC(C)CCOCF 34a_100011217855_100015361967 [1,1,0,0,0,0|2,0,0]=4 7670 B9R0.5 CCCC(C)CCOCF 7a_100011217855_100015361967 [1,1,0,0,0,0|2,0,0]=4 7671 B9R0.5 CCCC(C)SCOCC 62a_100000739092_100000766640 [1,1,0,0,0,0|2,0,0]=4 7672 B9R0.5 CCCC(C)SCOCC 62a_100000766640_100000739092 [1,1,0,0,0,0|2,0,0]=4 7673 B9R0.5 CCCCCC(=O)CCC 1458a_100000211992_100000210326 [1,1,0,0,0,0|0,0,2]=4 7674 B9R0.5 CCCCCC(=O)CCC 1458a_100000212188_100000210303 [1,1,0,0,0,0|0,0,2]=4 7675 B9R0.5 CCCCCC(=O)NCC 11a_100015525214_100000212188 [1,1,0,0,0,0|1,0,1]=4 7676 B9R0.5 CCCCCC(=O)NCC 240690a_100015525214_100000212188 [1,1,0,0,0,0|1,0,1]=4 7677 B9R0.5 CCCCCC(=O)NCC 527a_100015525214_100000212188 [1,1,0,0,0,0|1,0,1]=4 7678 B9R0.5 CCCCCC(C)NCC 2230a_100000211957_100000210202 [1,1,0,0,0,0|1,0,0]=3 7679 B9R0.5 CCCCCC(C)NCC 2230a_100015525214_200011218191 [1,1,0,0,0,0|1,0,0]=3 7680 B9R0.5 CCCCCC(C)NCC 270004a_100015525214_100000211708 [1,1,0,0,0,0|1,0,0]=3 7681 B9R0.5 CCCCCC(C)OCC 34a_100011215632_100000210202 [1,1,0,0,0,0|1,0,0]=3 7682 B9R0.5 CCCCCC(C)OCC 34a_100121572206_200011218191 [1,1,0,0,0,0|1,0,0]=3 7683 B9R0.5 CCCCCC(C)OCC 7a_100011215632_100000210202 [1,1,0,0,0,0|1,0,0]=3 7684 B9R0.5 CCCCCC(C)OCF 34a_100011215632_100015361967 [1,1,0,0,0,0|2,0,0]=4 7685 B9R0.5 CCCCCC(C)OCF 7a_100011215632_100015361967 [1,1,0,0,0,0|2,0,0]=4 7686 B9R0.5 CCCCCC(C)SCC 62a_100000210202_200011218191 [1,1,0,0,0,0|1,0,0]=3 7687 B9R0.5 CCCCCC(C)SCC 62a_200011218191_100000210202 [1,1,0,0,0,0|1,0,0]=3 7688 B9R0.5 CCCCCC(C)SCF 62a_100015361967_200011218191 [1,1,0,0,0,0|2,0,0]=4 7689 B9R0.5 CCCCCC(C)SCF 62a_200011218191_100015361967 [1,1,0,0,0,0|2,0,0]=4 7690 B9R0.5 CCCCCN(C)CCC 2230a_100000223495_100000210303 [1,1,0,0,0,0|1,0,1]=4 7691 B9R0.5 CCCCCN(C)CCC 2230a_100000747261_100000210326 [1,1,0,0,0,0|1,0,1]=4 7692 B9R0.5 CCCCCN(C)CCC 2230a_200000226819_200000210301 [1,1,0,0,0,0|1,0,1]=4 7693 B9R0.5 CCCCCN(C)CCC 269982a_100000223495_100000210303 [1,1,0,0,0,0|1,0,1]=4 7694 B9R0.5 CCCCCN(C)CCC 269982a_100000747261_100000210215 [1,1,0,0,0,0|1,0,1]=4 7695 B9R0.5 CCCCCN(C)CCC 269982a_200000226819_200000210301 [1,1,0,0,0,0|1,0,1]=4 7696 B9R0.5 CCCCCN([13CH3])CCC 2230a_200000226819_200025704644 [1,1,0,0,0,0|1,0,1]=4 7697 B9R0.5 CCCCCN([13CH3])CCC 269982a_200000226819_200025704644 [1,1,0,0,0,0|1,0,1]=4 7698 B9R0.5 CCCCNC(C)CCC 2230a_100000102301_100000766640 [1,1,0,0,0,0|1,0,1]=4 7699 B9R0.5 CCCCNC(C)CCC 2230a_100000741246_100000210211 [1,1,0,0,0,0|1,0,1]=4 7700 B9R0.5 CCCCNC(C)CCC 270004a_100000102301_100000211909 [1,1,0,0,0,0|1,0,1]=4 7701 B9R0.5 CCCCNC(C)CCC 7a_106832991798_100000766640 [1,1,0,0,0,0|1,0,1]=4 7702 B9R0.5 CCCCOC(C)CCC 34a_100000210227_100000766640 [1,1,0,0,0,0|1,0,1]=4 7703 B9R0.5 CCCCOC(C)CCC 34a_100000764384_100000210210 [1,1,0,0,0,0|1,0,1]=4 7704 B9R0.5 CCCCOC(C)CCC 7a_100000210227_100000766640 [1,1,0,0,0,0|1,0,1]=4 7705 B9R0.5 CCCCOC(C)CCC 7a_100000764384_100000210211 [1,1,0,0,0,0|1,0,1]=4 7706 B9R0.5 CCCCSC(C)CCC 62a_100000210211_100000766640 [1,1,0,0,0,0|1,0,1]=4 7707 B9R0.5 CCCCSC(C)CCC 62a_100000766640_100000210210 [1,1,0,0,0,0|1,0,1]=4 7708 B9R0.5 CCCN(C)CCOCC 2230a_100000747261_100011215890 [1,1,0,0,0,0|2,0,0]=4 7709 B9R0.5 CCCN(C)CCOCC 269982a_100000747261_100011215890 [1,1,0,0,0,0|2,0,0]=4 7710 B9R0.5 CCCN(C)CCSCC 2230a_100000747261_100000757381 [1,1,0,0,0,0|2,0,0]=4 7711 B9R0.5 CCCN(C)CCSCC 269982a_100000747261_100000757381 [1,1,0,0,0,0|2,0,0]=4 7712 B9R0.5 CCCNCC(C)CCC 270004a_100020643023_100000243154 [1,1,0,0,0,0|1,0,1]=4 7713 B9R0.5 CCCOCC(C)CCC 34a_100000210258_100011216630 [1,1,0,0,0,0|1,0,1]=4 7714 B9R0.5 CCCOCC(C)CCC 34a_100000688023_100000210303 [1,1,0,0,0,0|1,0,1]=4 7715 B9R0.5 CCCOCC(C)CCC 7a_100000688023_100000210303 [1,1,0,0,0,0|1,0,1]=4 7716 B9R0.5 CCCOC[C@@H](N)CCC 34a_100000732646_100000210303 [1,1,0,0,0,0|1,0,1]=4 7717 B9R0.5 CCCSCC(C)CCC 62a_100000210303_100011216630 [1,1,0,0,0,0|1,0,1]=4 7718 B9R0.5 CCCSCC(C)CCC 62a_100011216630_100000210303 [1,1,0,0,0,0|1,0,1]=4 7719 B9R0.5 CCCSCC(C)NCC 270004a_100015525214_100011343953 [1,1,0,0,0,0|2,0,0]=4 7720 B9R0.5 CCC[C@H](N)CCOCC 34a_100015193777_100000210202 [1,1,0,0,0,0|1,0,0]=3 7721 B9R0.5 CCC[C@H](N)CCOCF 34a_100015193777_100015361967 [1,1,0,0,0,0|2,0,0]=4 7722 B9R0.5 CCNC(C)CCCSC 270004a_100015525214_100011399439 [1,1,0,0,0,0|2,0,0]=4 7723 B9R0.5 CCNC(C)CCOCC 270004a_100015525214_200011216536 [1,1,0,0,0,0|2,0,0]=4 7724 B9R0.5 CCOC(C)CCCOC 34a_200011539412_100000210202 [1,1,0,0,0,0|2,0,0]=4 7725 B9R0.5 CCOC(C)CCCOC 7a_200011539412_100000210202 [1,1,0,0,0,0|2,0,0]=4 7726 B9R0.18 C/C=C/CC(=O)CCCC 1458a_100000210183_100102629194 [1,1,0,0,0,0|0,0,2]=4 7727 B9R0.18 C/C=C/CN(C)CCCC 269982a_100000207549_100102629194 [1,1,0,0,0,0|1,0,1]=4 7728 B9R0.18 CC=CCC(=O)CCCC 1458a_100000210183_100000070051 [1,1,0,0,0,0|0,0,2]=4 7729 B9R0.18 CC=CCC(=O)CCCC 1458a_100121576822_100000210211 [1,1,0,0,0,0|0,0,2]=4 7730 B9R0.18 CC=CCN(C)CCCC 2230a_100000207549_100000070051 [1,1,0,0,0,0|1,0,1]=4 7731 B9R0.18 CCC=CC(=O)CCCC 1458a_100000212282_100000210211 [1,1,0,0,0,0|0,0,2]=4 7732 B9R0.18 CCCCC(=O)CCCC 1458a_100000210183_100000210211 [1,1,0,0,0,0|0,0,2]=4 7733 B9R0.18 CCCCC(=O)COCC 1458a_100000211967_100000210211 [1,1,0,0,0,0|1,0,1]=4 7734 B9R0.18 CCCCC(=O)CSCC 1458a_100000230394_100000210211 [1,1,0,0,0,0|1,0,1]=4 7735 B9R0.18 CCCCC(C)COCC 34a_100011995851_100000210202 [1,1,0,0,0,0|1,0,0]=3 7736 B9R0.18 CCCCC(C)COCC 7a_100011995851_100000210202 [1,1,0,0,0,0|1,0,0]=3 7737 B9R0.18 CCCCC(C)COCF 34a_100011995851_100015361967 [1,1,0,0,0,0|2,0,0]=4 7738 B9R0.18 CCCCC(C)COCF 7a_100011995851_100015361967 [1,1,0,0,0,0|2,0,0]=4 7739 B9R0.18 CCCCC(C)NCCC 2230a_100000126638_100000210303 [1,1,0,0,0,0|1,0,1]=4 7740 B9R0.18 CCCCC(C)NCCC 270004a_100020643023_100000210087 [1,1,0,0,0,0|1,0,1]=4 7741 B9R0.18 CCCCC(C)OCCC 34a_100000210258_200011215066 [1,1,0,0,0,0|1,0,1]=4 7742 B9R0.18 CCCCC(C)OCCC 34a_100000687866_100000210303 [1,1,0,0,0,0|1,0,1]=4 7743 B9R0.18 CCCCC(C)OCCC 7a_100000687866_100000210303 [1,1,0,0,0,0|1,0,1]=4 7744 B9R0.18 CCCCC(C)SCCC 62a_100000210303_200011215066 [1,1,0,0,0,0|1,0,1]=4 7745 B9R0.18 CCCCC(C)SCCC 62a_200011215066_100000210303 [1,1,0,0,0,0|1,0,1]=4 7746 B9R0.18 CCCCN(C)CCCC 2230a_100000207549_100000210211 [1,1,0,0,0,0|1,0,1]=4 7747 B9R0.18 CCCCN(C)CCCC 2230a_100000684618_200000210301 [1,1,0,0,0,0|1,0,1]=4 7748 B9R0.18 CCCCN(C)CCCC 269982a_100000207549_100000210211 [1,1,0,0,0,0|1,0,1]=4 7749 B9R0.18 CCCCN(C)CCCC 269982a_100000684618_200000210301 [1,1,0,0,0,0|1,0,1]=4 7750 B9R0.18 CCCCN(C)COCC 269982a_100000207549_100000739092 [1,1,0,0,0,0|2,0,0]=4 7751 B9R0.18 CCCCN([13CH3])CCCC 2230a_100000684618_200025704644 [1,1,0,0,0,0|1,0,1]=4 7752 B9R0.18 CCCCN([13CH3])CCCC 269982a_100000684618_200025704644 [1,1,0,0,0,0|1,0,1]=4 7753 B9R0.18 CCCC[C@H](N)COCC 34a_100011934283_100000210202 [1,1,0,0,0,0|1,0,0]=3 7754 B9R0.18 CCCC[C@H](N)COCF 34a_100011934283_100015361967 [1,1,0,0,0,0|2,0,0]=4 7755 B9R0.18 CCCNC(C)CSCC 270004a_100020643023_200011216171 [1,1,0,0,0,0|2,0,0]=4 7756 B9R0.18 CCCOC(C)CNCC 2230a_100015185124_100000210202 [1,1,0,0,0,0|2,0,0]=4 7757 B9R0.18 CCCOC(C)CNCC 34a_100015185124_100000210202 [1,1,0,0,0,0|2,0,0]=4 7758 B9R0.18 CCCOC(C)COCC 34a_100000718985_100000210303 [1,1,0,0,0,0|2,0,0]=4 7759 B9R0.18 CCCOC(C)COCC 7a_100000718985_100000210303 [1,1,0,0,0,0|2,0,0]=4 7760 B9R0.18 CCNCC(O)COCC 2230a_102515437182_100000210202 [1,1,0,0,0,0|2,0,0]=4 7761 B9R0.18 CCNCC(O)COCC 34a_102515437182_100000210202 [1,1,0,0,0,0|2,0,0]=4 7762 B9R0.18 CCNC[C@H](C)CCCO 2230a_100160569302_100000210202 [1,1,0,0,0,0|2,0,0]=4 7763 B9R0.18 CCNC[C@H](C)CCCO 34a_100160569302_100000210202 [1,1,0,0,0,0|2,0,0]=4 7764 B9R0.18 CCOC[C@@H](N)CCSC 34a_100011827619_100000210202 [1,1,0,0,0,0|2,0,0]=4 7765 B9R0.45 C#CCCCCCNCC 2230a_100015525214_100012094781 [1,1,0,0,0,0|1,0,1]=4 7766 B9R0.45 C#CCCCCCOCC 34a_100000766912_100000210202 [1,1,0,0,0,0|1,0,1]=4 7767 B9R0.45 C#CCCCCCOCC 34a_100121572206_100012094781 [1,1,0,0,0,0|1,0,1]=4 7768 B9R0.45 C#CCCCCCOCC 7a_100000766912_100000210202 [1,1,0,0,0,0|1,0,1]=4 7769 B9R0.45 C#CCCCCCSCC 62a_100000210202_100012094781 [1,1,0,0,0,0|1,0,1]=4 7770 B9R0.45 C#CCCCCCSCC 62a_100012094781_100000210202 [1,1,0,0,0,0|1,0,1]=4 7771 B9R0.45 C#CCNCCCCCC 2230a_100000210581_100000038162 [1,1,0,0,0,0|1,0,1]=4 7772 B9R0.45 C#CCNCCCCCC 34a_100000212058_100000210314 [1,1,0,0,0,0|1,0,1]=4 7773 B9R0.45 C#CCOCCCCCC 34a_100000210247_100000210314 [1,1,0,0,0,0|1,0,1]=4 7774 B9R0.45 C#CCOCCCCCC 34a_100000210259_100000184674 [1,1,0,0,0,0|1,0,1]=4 7775 B9R0.45 C#CCOCCCCCC 7a_100000210259_100000038162 [1,1,0,0,0,0|1,0,1]=4 7776 B9R0.45 C#CCSCCCCCC 62a_100000038162_100000210757 [1,1,0,0,0,0|1,0,1]=4 7777 B9R0.45 C/C=C/CCOCCCC 34a_100016278192_100000210210 [1,1,0,0,0,0|0,0,1]=3 7778 B9R0.45 C/C=C/CCOCCCF 34a_100016278192_100011934791 [1,1,0,0,0,0|1,0,1]=4 7779 B9R0.45 C/C=C/CCOCCCO 34a_100016278192_100000230001 [1,1,0,0,0,0|1,0,1]=4 7780 B9R0.45 C/C=C/CCOCCOC 34a_100016278192_100011201679 [1,1,0,0,0,0|1,0,1]=4 7781 B9R0.45 C/C=C/CCOCCSC 34a_100016278192_100000212216 [1,1,0,0,0,0|1,0,1]=4 7782 B9R0.45 C/C=C/CNCCCCO 34a_100000750430_100102629194 [1,1,0,0,0,0|1,0,1]=4 7783 B9R0.45 C/C=C/CNCCCOC 34a_100150723488_100102629194 [1,1,0,0,0,0|1,0,1]=4 7784 B9R0.45 C/C=C/CNCCOCC 34a_102516460346_100102629194 [1,1,0,0,0,0|1,0,1]=4 7785 B9R0.45 C/C=C/COCCCCBr 34a_100011216708_100102629194 [1,1,0,0,0,0|1,0,1]=4 7786 B9R0.45 C/C=C/COCCCCC 34a_100000210253_100102629194 [1,1,0,0,0,0|0,0,1]=3 7787 B9R0.45 C/C=C/COCCCCC 34a_100016270725_100000718602 [1,1,0,0,0,0|0,0,1]=3 7788 B9R0.45 C/C=C/COCCCCC 7a_100000210253_100102629194 [1,1,0,0,0,0|0,0,1]=3 7789 B9R0.45 C/C=C/COCCCCCl 34a_100000210776_100102629194 [1,1,0,0,0,0|1,0,1]=4 7790 B9R0.45 C/C=C/COCCCCCl 7a_100000210776_100102629194 [1,1,0,0,0,0|1,0,1]=4 7791 B9R0.45 C/C=C/COCCCCF 34a_100011995726_100102629194 [1,1,0,0,0,0|1,0,1]=4 7792 B9R0.45 C/C=C/COCCCCF 34a_100016270725_100000729493 [1,1,0,0,0,0|1,0,1]=4 7793 B9R0.45 C/C=C/COCCCCF 7a_100011995726_100102629194 [1,1,0,0,0,0|1,0,1]=4 7794 B9R0.45 C/C=C/COCCCCI 34a_200012148704_100102629194 [1,1,0,0,0,0|1,0,1]=4 7795 B9R0.45 C/C=C/COCCCCN 34a_100000750430_100102629194 [1,1,0,0,0,0|1,0,1]=4 7796 B9R0.45 C/C=C/COCCCCO 34a_100016270725_100011216708 [1,1,0,0,0,0|1,0,1]=4 7797 B9R0.45 C/C=C/COCCCNC 34a_100000213112_100102629194 [1,1,0,0,0,0|1,0,1]=4 7798 B9R0.45 C/C=C/COCCCOC 34a_100000740835_100102629194 [1,1,0,0,0,0|1,0,1]=4 7799 B9R0.45 C/C=C/COCCCOC 34a_100016270725_100000740836 [1,1,0,0,0,0|1,0,1]=4 7800 B9R0.45 C/C=C/COCCCSC 34a_100000690336_100102629194 [1,1,0,0,0,0|1,0,1]=4 7801 B9R0.45 C/C=C/COCCCSC 7a_100000690336_100102629194 [1,1,0,0,0,0|1,0,1]=4 7802 B9R0.45 C/C=C/COCCOCC 34a_100000210136_100102629194 [1,1,0,0,0,0|1,0,1]=4 7803 B9R0.45 C/C=C/COCCOCC 34a_100016270725_100000210147 [1,1,0,0,0,0|1,0,1]=4 7804 B9R0.45 C/C=C/COCCOCC 7a_100000210136_100102629194 [1,1,0,0,0,0|1,0,1]=4 7805 B9R0.45 C/C=C/COCCSCC 34a_100000212035_100102629194 [1,1,0,0,0,0|1,0,1]=4 7806 B9R0.45 C/C=C/COCCSCC 34a_100016270725_100000757381 [1,1,0,0,0,0|1,0,1]=4 7807 B9R0.45 C/C=C/COCCSCC 7a_100000212035_100102629194 [1,1,0,0,0,0|1,0,1]=4 7808 B9R0.45 C/C=C/CSCCCCC 62a_100000210326_100102629194 [1,1,0,0,0,0|0,0,1]=3 7809 B9R0.45 C/C=C/CSCCCCC 62a_100102629194_100000210326 [1,1,0,0,0,0|0,0,1]=3 7810 B9R0.45 C/C=C/CSCCCCF 62a_100000729493_100102629194 [1,1,0,0,0,0|1,0,1]=4 7811 B9R0.45 C/C=C/CSCCCCF 62a_100102629194_100000729493 [1,1,0,0,0,0|1,0,1]=4 7812 B9R0.45 C/C=C/CSCCCCO 62a_100000210776_100102629194 [1,1,0,0,0,0|1,0,1]=4 7813 B9R0.45 C/C=C/CSCCCCO 62a_100102629194_100000210776 [1,1,0,0,0,0|1,0,1]=4 7814 B9R0.45 C/C=C/CSCCCOC 62a_100000709357_100102629194 [1,1,0,0,0,0|1,0,1]=4 7815 B9R0.45 C/C=C/CSCCCOC 62a_100102629194_100000709357 [1,1,0,0,0,0|1,0,1]=4 7816 B9R0.45 C/C=C/CSCCOCC 62a_100000210147_100102629194 [1,1,0,0,0,0|1,0,1]=4 7817 B9R0.45 C/C=C/CSCCOCC 62a_100102629194_100011215890 [1,1,0,0,0,0|1,0,1]=4 7818 B9R0.45 C/C=C/CSCCSCC 62a_100000757381_100102629194 [1,1,0,0,0,0|1,0,1]=4 7819 B9R0.45 C/C=C/CSCCSCC 62a_100102629194_100000757381 [1,1,0,0,0,0|1,0,1]=4 7820 B9R0.45 C=CCCCCCNCC 2230a_100015525214_100000700193 [1,1,0,0,0,0|1,0,1]=4 7821 B9R0.45 C=CCCCCCOCC 34a_100011216702_100000210202 [1,1,0,0,0,0|1,0,1]=4 7822 B9R0.45 C=CCCCCCOCC 34a_100121572206_100000700193 [1,1,0,0,0,0|1,0,1]=4 7823 B9R0.45 C=CCCCCCOCC 7a_100011216702_100000210202 [1,1,0,0,0,0|1,0,1]=4 7824 B9R0.45 C=CCCCCCSCC 62a_100000210202_100000700193 [1,1,0,0,0,0|1,0,1]=4 7825 B9R0.45 C=CCCCCCSCC 62a_100000700193_100000210202 [1,1,0,0,0,0|1,0,1]=4 7826 B9R0.45 C=CCNCCCCCC 2230a_100000210581_100000210623 [1,1,0,0,0,0|1,0,1]=4 7827 B9R0.45 C=CCNCCCCCC 2230a_100020586998_100000210314 [1,1,0,0,0,0|1,0,1]=4 7828 B9R0.45 C=CCOCCCCCC 34a_100000210259_100015514636 [1,1,0,0,0,0|1,0,1]=4 7829 B9R0.45 C=CCOCCCCCC 34a_200000210373_100000210314 [1,1,0,0,0,0|1,0,1]=4 7830 B9R0.45 C=CCOCCCCCC 7a_100000210259_100015514636 [1,1,0,0,0,0|1,0,1]=4 7831 B9R0.45 C=CCSCCCCCC 62a_100000210314_100000210623 [1,1,0,0,0,0|1,0,1]=4 7832 B9R0.45 C=CCSCCCCCC 62a_100000210623_100000210757 [1,1,0,0,0,0|1,0,1]=4 7833 B9R0.45 CC#CCCOCCCC 34a_100000750427_100000210210 [1,1,0,0,0,0|0,0,2]=4 7834 B9R0.45 CC#CCNCCCCC 2230a_100000209983_100000748600 [1,1,0,0,0,0|0,0,2]=4 7835 B9R0.45 CC#CCNCCCCC 2230a_100000685387_100000210326 [1,1,0,0,0,0|0,0,2]=4 7836 B9R0.45 CC#CCNCCCCC 34a_100000685387_100000718602 [1,1,0,0,0,0|0,0,2]=4 7837 B9R0.45 CC#CCOCCCCC 34a_100000210253_100000748600 [1,1,0,0,0,0|0,0,2]=4 7838 B9R0.45 CC#CCOCCCCC 34a_100000761923_100000718602 [1,1,0,0,0,0|0,0,2]=4 7839 B9R0.45 CC#CCOCCCCC 7a_100000210253_100000748600 [1,1,0,0,0,0|0,0,2]=4 7840 B9R0.45 CC#CCSCCCCC 62a_100000210326_100000748600 [1,1,0,0,0,0|0,0,2]=4 7841 B9R0.45 CC#CCSCCCCC 62a_100000748600_100000210326 [1,1,0,0,0,0|0,0,2]=4 7842 B9R0.45 CC/C=C/CCCOCC 34a_100016287902_100000210202 [1,1,0,0,0,0|0,0,1]=3 7843 B9R0.45 CC/C=C/CCCOCC 7a_100016287902_100000210202 [1,1,0,0,0,0|0,0,1]=3 7844 B9R0.45 CC/C=C/CCCOCF 34a_100016287902_100015361967 [1,1,0,0,0,0|1,0,1]=4 7845 B9R0.45 CC/C=C/CCCOCF 7a_100016287902_100015361967 [1,1,0,0,0,0|1,0,1]=4 7846 B9R0.45 CC/C=C\CCCCOC 34a_100016287862_200000210301 [1,1,0,0,0,0|0,0,1]=3 7847 B9R0.45 CC/C=C\CCCCOC 7a_100016287862_200000210301 [1,1,0,0,0,0|0,0,1]=3 7848 B9R0.45 CC/C=C\CCCCO[13CH3] 34a_100016287862_200025704644 [1,1,0,0,0,0|0,0,1]=3 7849 B9R0.45 CC/C=C\CCCCO[13CH3] 7a_100016287862_200025704644 [1,1,0,0,0,0|0,0,1]=3 7850 B9R0.45 CC/C=C\CCNCCF 34a_100000724931_100015370543 [1,1,0,0,0,0|1,0,1]=4 7851 B9R0.45 CC/C=C\CCNCCO 2230a_100016997473_100015370543 [1,1,0,0,0,0|1,0,1]=4 7852 B9R0.45 CC/C=C\CCNCCO 34a_100016990907_100015370543 [1,1,0,0,0,0|1,0,1]=4 7853 B9R0.45 CC/C=C\CCOCCBr 34a_100000211926_100015370543 [1,1,0,0,0,0|1,0,1]=4 7854 B9R0.45 CC/C=C\CCOCCC 34a_100000210258_100015370543 [1,1,0,0,0,0|0,0,1]=3 7855 B9R0.45 CC/C=C\CCOCCC 34a_100016288707_100000210303 [1,1,0,0,0,0|0,0,1]=3 7856 B9R0.45 CC/C=C\CCOCCC 7a_100016288707_100000210303 [1,1,0,0,0,0|0,0,1]=3 7857 B9R0.45 CC/C=C\CCOCCF 34a_100016288707_100011217306 [1,1,0,0,0,0|1,0,1]=4 7858 B9R0.45 CC/C=C\CCOCCF 7a_100016288707_100011217306 [1,1,0,0,0,0|1,0,1]=4 7859 B9R0.45 CC/C=C\CCOCCN 34a_100000210304_100015370543 [1,1,0,0,0,0|1,0,1]=4 7860 B9R0.45 CC/C=C\CCOCCO 34a_100016288707_100000211926 [1,1,0,0,0,0|1,0,1]=4 7861 B9R0.45 CC/C=C\CCOCCO 7a_100016288707_100000211926 [1,1,0,0,0,0|1,0,1]=4 7862 B9R0.45 CC/C=C\CCOCSC 34a_100016288707_100011218213 [1,1,0,0,0,0|1,0,1]=4 7863 B9R0.45 CC/C=C\CCSCCC 62a_100000210303_100015370543 [1,1,0,0,0,0|0,0,1]=3 7864 B9R0.45 CC/C=C\CCSCCC 62a_100015370543_100000210303 [1,1,0,0,0,0|0,0,1]=3 7865 B9R0.45 CC/C=C\CCSCCF 62a_100011217306_100015370543 [1,1,0,0,0,0|1,0,1]=4 7866 B9R0.45 CC/C=C\CCSCCF 62a_100015370543_100011217306 [1,1,0,0,0,0|1,0,1]=4 7867 B9R0.45 CC/C=C\CCSCCO 62a_100000211926_100015370543 [1,1,0,0,0,0|1,0,1]=4 7868 B9R0.45 CC/C=C\CCSCCO 62a_100015370543_100000211926 [1,1,0,0,0,0|1,0,1]=4 7869 B9R0.45 CC/C=C\CCSCOC 62a_100000766300_100015370543 [1,1,0,0,0,0|1,0,1]=4 7870 B9R0.45 CC/C=C\CCSCOC 62a_100015370543_100000766300 [1,1,0,0,0,0|1,0,1]=4 7871 B9R0.45 CC/C=C\CCSCSC 62a_100011218213_100015370543 [1,1,0,0,0,0|1,0,1]=4 7872 B9R0.45 CC/C=C\CCSCSC 62a_100015370543_100011218213 [1,1,0,0,0,0|1,0,1]=4 7873 B9R0.45 CC/C=C\CNCCCC 2230a_100000102301_100103147603 [1,1,0,0,0,0|0,0,1]=3 7874 B9R0.45 CC/C=C\CNCCCC 7a_106832991798_100103147603 [1,1,0,0,0,0|0,0,1]=3 7875 B9R0.45 CC/C=C\CNCCCF 2230a_100015189416_100103147603 [1,1,0,0,0,0|1,0,1]=4 7876 B9R0.45 CC/C=C\CNCCCF 34a_100015189416_100103147603 [1,1,0,0,0,0|1,0,1]=4 7877 B9R0.45 CC/C=C\CNCCOC 2230a_100000209980_100103147603 [1,1,0,0,0,0|1,0,1]=4 7878 B9R0.45 CC/C=C\CNCCSC 2230a_100020590264_100103147603 [1,1,0,0,0,0|1,0,1]=4 7879 B9R0.45 CC/C=C\COCCCBr 34a_100011217188_100103147603 [1,1,0,0,0,0|1,0,1]=4 7880 B9R0.45 CC/C=C\COCCCC 34a_100000210227_100103147603 [1,1,0,0,0,0|0,0,1]=3 7881 B9R0.45 CC/C=C\COCCCC 34a_100016268518_100000210210 [1,1,0,0,0,0|0,0,1]=3 7882 B9R0.45 CC/C=C\COCCCC 7a_100000210227_100103147603 [1,1,0,0,0,0|0,0,1]=3 7883 B9R0.45 CC/C=C\COCCCCl 34a_100000230001_100103147603 [1,1,0,0,0,0|1,0,1]=4 7884 B9R0.45 CC/C=C\COCCCF 34a_100000759539_100103147603 [1,1,0,0,0,0|1,0,1]=4 7885 B9R0.45 CC/C=C\COCCCF 34a_100016268518_100011934791 [1,1,0,0,0,0|1,0,1]=4 7886 B9R0.45 CC/C=C\COCCCN 34a_100000182051_100103147603 [1,1,0,0,0,0|1,0,1]=4 7887 B9R0.45 CC/C=C\COCCCO 34a_100016268518_100000230001 [1,1,0,0,0,0|1,0,1]=4 7888 B9R0.45 CC/C=C\COCCOC 34a_100000210237_100103147603 [1,1,0,0,0,0|1,0,1]=4 7889 B9R0.45 CC/C=C\COCCOC 34a_100016268518_100011201679 [1,1,0,0,0,0|1,0,1]=4 7890 B9R0.45 CC/C=C\COCCSC 34a_100000230434_100103147603 [1,1,0,0,0,0|1,0,1]=4 7891 B9R0.45 CC/C=C\COCCSC 34a_100016268518_100000212216 [1,1,0,0,0,0|1,0,1]=4 7892 B9R0.45 CC/C=C\COCCSC 7a_100000230434_100103147603 [1,1,0,0,0,0|1,0,1]=4 7893 B9R0.45 CC/C=C\CSCCCC 62a_100000210211_100103147603 [1,1,0,0,0,0|0,0,1]=3 7894 B9R0.45 CC/C=C\CSCCCC 62a_100103147603_100000210210 [1,1,0,0,0,0|0,0,1]=3 7895 B9R0.45 CC/C=C\CSCCCF 62a_100011934791_100103147603 [1,1,0,0,0,0|1,0,1]=4 7896 B9R0.45 CC/C=C\CSCCCF 62a_100103147603_100011934791 [1,1,0,0,0,0|1,0,1]=4 7897 B9R0.45 CC/C=C\CSCCCO 62a_100011215043_100103147603 [1,1,0,0,0,0|1,0,1]=4 7898 B9R0.45 CC/C=C\CSCCCO 62a_100103147603_100011215043 [1,1,0,0,0,0|1,0,1]=4 7899 B9R0.45 CC/C=C\CSCCOC 62a_100000233755_100103147603 [1,1,0,0,0,0|1,0,1]=4 7900 B9R0.45 CC/C=C\CSCCOC 62a_100103147603_100000233755 [1,1,0,0,0,0|1,0,1]=4 7901 B9R0.45 CC/C=C\CSCCSC 62a_100000212216_100103147603 [1,1,0,0,0,0|1,0,1]=4 7902 B9R0.45 CC/C=C\CSCCSC 62a_100103147603_100000751147 [1,1,0,0,0,0|1,0,1]=4 7903 B9R0.45 CC/C=C\CSCOCC 62a_100000739092_100103147603 [1,1,0,0,0,0|1,0,1]=4 7904 B9R0.45 CC/C=C\CSCOCC 62a_100103147603_100000739092 [1,1,0,0,0,0|1,0,1]=4 7905 B9R0.45 CC=C=CCCOCCC 34a_100011020354_100000210303 [1,1,0,0,0,0|1,0,1]=4 7906 B9R0.45 CC=CCCCOCCC 34a_100020645299_100000210303 [1,1,0,0,0,0|0,0,1]=3 7907 B9R0.45 CC=CCCCOCCF 34a_100020645299_100011217306 [1,1,0,0,0,0|1,0,1]=4 7908 B9R0.45 CC=CCCCOCCO 34a_100020645299_100000211926 [1,1,0,0,0,0|1,0,1]=4 7909 B9R0.45 CC=CCCCOCSC 34a_100020645299_100011218213 [1,1,0,0,0,0|1,0,1]=4 7910 B9R0.45 CC=CCNCCCCC 2230a_100000209983_100000070051 [1,1,0,0,0,0|0,0,1]=3 7911 B9R0.45 CC=CCNCCCCO 2230a_100000750430_100000070051 [1,1,0,0,0,0|1,0,1]=4 7912 B9R0.45 CC=CCNCCCCO 34a_100000750430_100000070051 [1,1,0,0,0,0|1,0,1]=4 7913 B9R0.45 CC=CCNCCCOC 34a_100150723488_100000070051 [1,1,0,0,0,0|1,0,1]=4 7914 B9R0.45 CC=CCNCCCSC 2230a_100000749238_100000070051 [1,1,0,0,0,0|1,0,1]=4 7915 B9R0.45 CC=CCNCCOCC 2230a_102516460346_100000070051 [1,1,0,0,0,0|1,0,1]=4 7916 B9R0.45 CC=CCNCCOCC 34a_102516460346_100000070051 [1,1,0,0,0,0|1,0,1]=4 7917 B9R0.45 CC=CCNCCSCC 2230a_100000106463_100000070051 [1,1,0,0,0,0|1,0,1]=4 7918 B9R0.45 CC=CCOCCCCBr 34a_100011216708_100000070051 [1,1,0,0,0,0|1,0,1]=4 7919 B9R0.45 CC=CCOCCCCC 34a_100000210253_100000070051 [1,1,0,0,0,0|0,0,1]=3 7920 B9R0.45 CC=CCOCCCCC 7a_100000210253_100000070051 [1,1,0,0,0,0|0,0,1]=3 7921 B9R0.45 CC=CCOCCCCCl 34a_100000210776_100000070051 [1,1,0,0,0,0|1,0,1]=4 7922 B9R0.45 CC=CCOCCCCCl 7a_100000210776_100000070051 [1,1,0,0,0,0|1,0,1]=4 7923 B9R0.45 CC=CCOCCCCF 34a_100011995726_100000070051 [1,1,0,0,0,0|1,0,1]=4 7924 B9R0.45 CC=CCOCCCCF 7a_100011995726_100000070051 [1,1,0,0,0,0|1,0,1]=4 7925 B9R0.45 CC=CCOCCCCI 34a_200012148704_100000070051 [1,1,0,0,0,0|1,0,1]=4 7926 B9R0.45 CC=CCOCCCCN 34a_100000750430_100000070051 [1,1,0,0,0,0|1,0,1]=4 7927 B9R0.45 CC=CCOCCCNC 34a_100000213112_100000070051 [1,1,0,0,0,0|1,0,1]=4 7928 B9R0.45 CC=CCOCCCOC 34a_100000740835_100000070051 [1,1,0,0,0,0|1,0,1]=4 7929 B9R0.45 CC=CCOCCCSC 34a_100000690336_100000070051 [1,1,0,0,0,0|1,0,1]=4 7930 B9R0.45 CC=CCOCCCSC 7a_100000690336_100000070051 [1,1,0,0,0,0|1,0,1]=4 7931 B9R0.45 CC=CCOCCOCC 34a_100000210136_100000070051 [1,1,0,0,0,0|1,0,1]=4 7932 B9R0.45 CC=CCOCCOCC 7a_100000210136_100000070051 [1,1,0,0,0,0|1,0,1]=4 7933 B9R0.45 CC=CCOCCSCC 34a_100000212035_100000070051 [1,1,0,0,0,0|1,0,1]=4 7934 B9R0.45 CC=CCOCCSCC 7a_100000212035_100000070051 [1,1,0,0,0,0|1,0,1]=4 7935 B9R0.45 CC=CCSCCCCC 62a_100000070051_100000210326 [1,1,0,0,0,0|0,0,1]=3 7936 B9R0.45 CC=CCSCCCCC 62a_100000210326_100000070051 [1,1,0,0,0,0|0,0,1]=3 7937 B9R0.45 CC=CCSCCCCF 62a_100000070051_100000729493 [1,1,0,0,0,0|1,0,1]=4 7938 B9R0.45 CC=CCSCCCCF 62a_100000729493_100000070051 [1,1,0,0,0,0|1,0,1]=4 7939 B9R0.45 CC=CCSCCCCO 62a_100000070051_100000210776 [1,1,0,0,0,0|1,0,1]=4 7940 B9R0.45 CC=CCSCCCCO 62a_100000210776_100000070051 [1,1,0,0,0,0|1,0,1]=4 7941 B9R0.45 CC=CCSCCCOC 62a_100000070051_100000709357 [1,1,0,0,0,0|1,0,1]=4 7942 B9R0.45 CC=CCSCCCOC 62a_100000709357_100000070051 [1,1,0,0,0,0|1,0,1]=4 7943 B9R0.45 CC=CCSCCOCC 62a_100000070051_100011215890 [1,1,0,0,0,0|1,0,1]=4 7944 B9R0.45 CC=CCSCCOCC 62a_100000210147_100000070051 [1,1,0,0,0,0|1,0,1]=4 7945 B9R0.45 CC=CCSCCSCC 62a_100000070051_100000757381 [1,1,0,0,0,0|1,0,1]=4 7946 B9R0.45 CC=CCSCCSCC 62a_100000757381_100000070051 [1,1,0,0,0,0|1,0,1]=4 7947 B9R0.45 CCC#CCCOCCC 34a_100000036655_100000210303 [1,1,0,0,0,0|0,0,2]=4 7948 B9R0.45 CCC#CCCOCCC 7a_100000036655_100000210303 [1,1,0,0,0,0|0,0,2]=4 7949 B9R0.45 CCC#CCNCCCC 2230a_100000102301_100009813939 [1,1,0,0,0,0|0,0,2]=4 7950 B9R0.45 CCC#CCNCCCC 7a_106832991798_100009813939 [1,1,0,0,0,0|0,0,2]=4 7951 B9R0.45 CCC#CCOCCCC 34a_100000032950_100000210210 [1,1,0,0,0,0|0,0,2]=4 7952 B9R0.45 CCC#CCOCCCC 34a_100000210227_100009813939 [1,1,0,0,0,0|0,0,2]=4 7953 B9R0.45 CCC#CCOCCCC 7a_100000210227_100009813939 [1,1,0,0,0,0|0,0,2]=4 7954 B9R0.45 CCC#CCSCCCC 62a_100000210211_100009813939 [1,1,0,0,0,0|0,0,2]=4 7955 B9R0.45 CCC#CCSCCCC 62a_100009813939_100000210210 [1,1,0,0,0,0|0,0,2]=4 7956 B9R0.45 CCC/C=C/COCCC 34a_100016278788_100000210303 [1,1,0,0,0,0|1,0,1]=4 7957 B9R0.45 CCC/C=C/COCCC 7a_100016278788_100000210303 [1,1,0,0,0,0|1,0,1]=4 7958 B9R0.45 CCC=NNCCCCC 4a_100000694160_100000210100 [1,1,0,0,0,0|1,0,0]=3 7959 B9R0.45 CCC=NNCCOCC 4a_100000732670_100000210100 [1,1,0,0,0,0|2,0,0]=4 7960 B9R0.45 CCCC#CCCOCC 34a_100000042726_100000210202 [1,1,0,0,0,0|1,0,1]=4 7961 B9R0.45 CCCC#CCCOCC 7a_100000042726_100000210202 [1,1,0,0,0,0|1,0,1]=4 7962 B9R0.45 CCCC/C=C/COCC 34a_200016272032_100000210202 [1,1,0,0,0,0|1,0,1]=4 7963 B9R0.45 CCCC/C=C/COCC 7a_200016272032_100000210202 [1,1,0,0,0,0|1,0,1]=4 7964 B9R0.45 CCCC=NNCCCC 4a_100025702795_100000185831 [1,1,0,0,0,0|2,0,0]=4 7965 B9R0.45 CCCCC#CCOCC 34a_200000034558_100000210202 [1,1,0,0,0,0|1,0,1]=4 7966 B9R0.45 CCCCC#CCOCC 7a_200000034558_100000210202 [1,1,0,0,0,0|1,0,1]=4 7967 B9R0.45 CCCCC/C=C/COC 34a_100016258190_200000210301 [1,1,0,0,0,0|0,0,1]=3 7968 B9R0.45 CCCCC/C=C/COC 7a_100016258190_200000210301 [1,1,0,0,0,0|0,0,1]=3 7969 B9R0.45 CCCCC/C=C/CO[13CH3] 34a_100016258190_200025704644 [1,1,0,0,0,0|0,0,1]=3 7970 B9R0.45 CCCCC/C=C/CO[13CH3] 7a_100016258190_200025704644 [1,1,0,0,0,0|0,0,1]=3 7971 B9R0.45 CCCCCC#CCNC 2230a_106832991635_100009816472 [1,1,0,0,0,0|0,0,2]=4 7972 B9R0.45 CCCCCC#CCNC 34a_100102657272_100009816472 [1,1,0,0,0,0|0,0,2]=4 7973 B9R0.45 CCCCCC#CCNC 7a_106832991635_100009816472 [1,1,0,0,0,0|0,0,2]=4 7974 B9R0.45 CCCCCC#CCOC 34a_100138415774_100009816472 [1,1,0,0,0,0|0,0,2]=4 7975 B9R0.45 CCCCCC#CCOC 34a_200000033628_200000210301 [1,1,0,0,0,0|0,0,2]=4 7976 B9R0.45 CCCCCC#CCOC 7a_200000033628_200000210301 [1,1,0,0,0,0|0,0,2]=4 7977 B9R0.45 CCCCCC#CCO[13CH3] 34a_200000033628_200025704644 [1,1,0,0,0,0|0,0,2]=4 7978 B9R0.45 CCCCCC#CCO[13CH3] 7a_200000033628_200025704644 [1,1,0,0,0,0|0,0,2]=4 7979 B9R0.45 CCCCCC#CCSC 62a_100009816472_200000210301 [1,1,0,0,0,0|0,0,2]=4 7980 B9R0.45 CCCCCC#CCSC 62a_200000210301_100009816472 [1,1,0,0,0,0|0,0,2]=4 7981 B9R0.45 CCCCCC#CCS[13CH3] 62a_100009816472_200025704644 [1,1,0,0,0,0|0,0,2]=4 7982 B9R0.45 CCCCCC#CCS[13CH3] 62a_200025704644_100009816472 [1,1,0,0,0,0|0,0,2]=4 7983 B9R0.45 CCCCCC=NNCC 4a_100000756455_100000737632 [1,1,0,0,0,0|1,0,1]=4 7984 B9R0.45 CCCCCCCCNC 2230a_100000229939_200000210301 [1,1,0,0,0,0|0,0,1]=3 7985 B9R0.45 CCCCCCCCNC 2230a_106832991635_100000210759 [1,1,0,0,0,0|0,0,1]=3 7986 B9R0.45 CCCCCCCCNC 34a_100000229939_200000210301 [1,1,0,0,0,0|0,0,1]=3 7987 B9R0.45 CCCCCCCCNC 34a_100102657272_100000210759 [1,1,0,0,0,0|0,0,1]=3 7988 B9R0.45 CCCCCCCCNC 7a_106832991635_100000210759 [1,1,0,0,0,0|0,0,1]=3 7989 B9R0.45 CCCCCCCCN[13CH3] 2230a_100000229939_200025704644 [1,1,0,0,0,0|0,0,1]=3 7990 B9R0.45 CCCCCCCCN[13CH3] 34a_100000229939_200025704644 [1,1,0,0,0,0|0,0,1]=3 7991 B9R0.45 CCCCCCCCOC 34a_100000210232_200000210301 [1,1,0,0,0,0|0,0,1]=3 7992 B9R0.45 CCCCCCCCOC 34a_100138415774_100000210759 [1,1,0,0,0,0|0,0,1]=3 7993 B9R0.45 CCCCCCCCOC 7a_100000210232_200000210301 [1,1,0,0,0,0|0,0,1]=3 7994 B9R0.45 CCCCCCCCO[13CH3] 34a_100000210232_200025704644 [1,1,0,0,0,0|0,0,1]=3 7995 B9R0.45 CCCCCCCCO[13CH3] 7a_100000210232_200025704644 [1,1,0,0,0,0|0,0,1]=3 7996 B9R0.45 CCCCCCCCSC 62a_100000210759_200000210301 [1,1,0,0,0,0|0,0,1]=3 7997 B9R0.45 CCCCCCCCSC 62a_200000210301_100000210317 [1,1,0,0,0,0|0,0,1]=3 7998 B9R0.45 CCCCCCCCS[13CH3] 62a_100000210759_200025704644 [1,1,0,0,0,0|0,0,1]=3 7999 B9R0.45 CCCCCCCCS[13CH3] 62a_200025704644_100000210317 [1,1,0,0,0,0|0,0,1]=3 8000 B9R0.45 CCCCCCCNCC 2230a_100000229938_100000210202 [1,1,0,0,0,0|0,0,1]=3 8001 B9R0.45 CCCCCCCNCC 2230a_100015525214_100000210681 [1,1,0,0,0,0|0,0,1]=3 8002 B9R0.45 CCCCCCCOCC 34a_100000210272_100000210202 [1,1,0,0,0,0|0,0,1]=3 8003 B9R0.45 CCCCCCCOCC 34a_100121572206_100000210614 [1,1,0,0,0,0|0,0,1]=3 8004 B9R0.45 CCCCCCCOCC 7a_100000210272_100000210202 [1,1,0,0,0,0|0,0,1]=3 8005 B9R0.45 CCCCCCCOCF 34a_100000210272_100015361967 [1,1,0,0,0,0|1,0,1]=4 8006 B9R0.45 CCCCCCCOCF 7a_100000210272_100015361967 [1,1,0,0,0,0|1,0,1]=4 8007 B9R0.45 CCCCCCCSCC 62a_100000210202_100000210316 [1,1,0,0,0,0|0,0,1]=3 8008 B9R0.45 CCCCCCCSCC 62a_100000210614_100000210202 [1,1,0,0,0,0|0,0,1]=3 8009 B9R0.45 CCCCCCCSCF 62a_100000210614_100015361967 [1,1,0,0,0,0|1,0,1]=4 8010 B9R0.45 CCCCCCCSCF 62a_100015361967_100000210316 [1,1,0,0,0,0|1,0,1]=4 8011 B9R0.45 CCCCCCNCC#N 2230a_100000210581_100011215382 [1,1,0,0,0,0|1,0,1]=4 8012 B9R0.45 CCCCCCNCC=O 2230a_100000210581_200015260668 [1,1,0,0,0,0|1,0,1]=4 8013 B9R0.45 CCCCCCNCCC 2230a_100000210581_100000210303 [1,1,0,0,0,0|0,0,1]=3 8014 B9R0.45 CCCCCCNCCF 2230a_100000210581_100011217306 [1,1,0,0,0,0|1,0,0]=3 8015 B9R0.45 CCCCCCNCCF 34a_100000724931_100000210314 [1,1,0,0,0,0|1,0,0]=3 8016 B9R0.45 CCCCCCNCCO 2230a_100000210581_100000211926 [1,1,0,0,0,0|1,0,0]=3 8017 B9R0.45 CCCCCCNCCO 2230a_100016997473_100000210314 [1,1,0,0,0,0|1,0,0]=3 8018 B9R0.45 CCCCCCNCCO 34a_100016990907_100000210314 [1,1,0,0,0,0|1,0,0]=3 8019 B9R0.45 CCCCCCNCOC 2230a_100000210581_100000766300 [1,1,0,0,0,0|1,0,0]=3 8020 B9R0.45 CCCCCCNCSC 2230a_100000210581_100011218213 [1,1,0,0,0,0|1,0,0]=3 8021 B9R0.45 CCCCCCOCC#N 7a_100000210259_100011215382 [1,1,0,0,0,0|1,0,1]=4 8022 B9R0.45 CCCCCCOCC=O 34a_100000210259_200009817547 [1,1,0,0,0,0|1,0,1]=4 8023 B9R0.45 CCCCCCOCC=O 7a_100000210259_200015260668 [1,1,0,0,0,0|1,0,1]=4 8024 B9R0.45 CCCCCCOCCBr 34a_100000211926_100000210314 [1,1,0,0,0,0|1,0,0]=3 8025 B9R0.45 CCCCCCOCCC 34a_100000210258_100000210314 [1,1,0,0,0,0|0,0,1]=3 8026 B9R0.45 CCCCCCOCCC 34a_100000210259_100000210303 [1,1,0,0,0,0|0,0,1]=3 8027 B9R0.45 CCCCCCOCCC 7a_100000210259_100000210303 [1,1,0,0,0,0|0,0,1]=3 8028 B9R0.45 CCCCCCOCCF 34a_100000210259_100011217306 [1,1,0,0,0,0|1,0,0]=3 8029 B9R0.45 CCCCCCOCCF 7a_100000210259_100011217306 [1,1,0,0,0,0|1,0,0]=3 8030 B9R0.45 CCCCCCOCCN 34a_100000210304_100000210314 [1,1,0,0,0,0|1,0,0]=3 8031 B9R0.45 CCCCCCOCCO 34a_100000210259_100000211926 [1,1,0,0,0,0|1,0,0]=3 8032 B9R0.45 CCCCCCOCCO 7a_100000210259_100000211926 [1,1,0,0,0,0|1,0,0]=3 8033 B9R0.45 CCCCCCOCSC 34a_100000210259_100011218213 [1,1,0,0,0,0|1,0,0]=3 8034 B9R0.45 CCCCCCSCC#N 62a_100000210314_100011215382 [1,1,0,0,0,0|1,0,1]=4 8035 B9R0.45 CCCCCCSCC#N 62a_100011215382_100000210757 [1,1,0,0,0,0|1,0,1]=4 8036 B9R0.45 CCCCCCSCC=O 62a_100000210314_200015260668 [1,1,0,0,0,0|1,0,1]=4 8037 B9R0.45 CCCCCCSCC=O 62a_200015260668_100000210757 [1,1,0,0,0,0|1,0,1]=4 8038 B9R0.45 CCCCCCSCCC 62a_100000210303_100000210757 [1,1,0,0,0,0|0,0,1]=3 8039 B9R0.45 CCCCCCSCCC 62a_100000210314_100000210303 [1,1,0,0,0,0|0,0,1]=3 8040 B9R0.45 CCCCCCSCCF 62a_100000210314_100011217306 [1,1,0,0,0,0|1,0,0]=3 8041 B9R0.45 CCCCCCSCCF 62a_100011217306_100000210757 [1,1,0,0,0,0|1,0,0]=3 8042 B9R0.45 CCCCCCSCCO 62a_100000210314_100000211926 [1,1,0,0,0,0|1,0,0]=3 8043 B9R0.45 CCCCCCSCCO 62a_100000211926_100000210757 [1,1,0,0,0,0|1,0,0]=3 8044 B9R0.45 CCCCCCSCOC 62a_100000210314_100000766300 [1,1,0,0,0,0|1,0,0]=3 8045 B9R0.45 CCCCCCSCOC 62a_100000766300_100000210757 [1,1,0,0,0,0|1,0,0]=3 8046 B9R0.45 CCCCCCSCSC 62a_100000210314_100011218213 [1,1,0,0,0,0|1,0,0]=3 8047 B9R0.45 CCCCCCSCSC 62a_100011218213_100000210757 [1,1,0,0,0,0|1,0,0]=3 8048 B9R0.45 CCCCCNCCCC 2230a_100000102301_100000210326 [1,1,0,0,0,0|0,0,1]=3 8049 B9R0.45 CCCCCNCCCC 2230a_100000209983_100000210211 [1,1,0,0,0,0|0,0,1]=3 8050 B9R0.45 CCCCCNCCCC 7a_106832991798_100000210326 [1,1,0,0,0,0|0,0,1]=3 8051 B9R0.45 CCCCCNCCCF 2230a_100000209983_100011934791 [1,1,0,0,0,0|1,0,1]=4 8052 B9R0.45 CCCCCNCCCF 2230a_100015189416_100000210326 [1,1,0,0,0,0|1,0,1]=4 8053 B9R0.45 CCCCCNCCCF 34a_100015189416_100000718602 [1,1,0,0,0,0|1,0,1]=4 8054 B9R0.45 CCCCCNCCCO 2230a_100000209983_100000230001 [1,1,0,0,0,0|1,0,1]=4 8055 B9R0.45 CCCCCNCCOC 2230a_100000209980_100000210326 [1,1,0,0,0,0|1,0,1]=4 8056 B9R0.45 CCCCCNCCOC 2230a_100000209983_100011201679 [1,1,0,0,0,0|1,0,1]=4 8057 B9R0.45 CCCCCNCCOC 34a_100000224656_200000210301 [1,1,0,0,0,0|1,0,1]=4 8058 B9R0.45 CCCCCNCCO[13CH3] 34a_100000224656_200025704644 [1,1,0,0,0,0|1,0,1]=4 8059 B9R0.45 CCCCCNCCSC 2230a_100000209983_100000751147 [1,1,0,0,0,0|1,0,1]=4 8060 B9R0.45 CCCCCNCCSC 2230a_100020590264_100000210326 [1,1,0,0,0,0|1,0,1]=4 8061 B9R0.45 CCCCCOCCCBr 34a_100011217188_100000718602 [1,1,0,0,0,0|1,0,1]=4 8062 B9R0.45 CCCCCOCCCC 34a_100000210227_100000718602 [1,1,0,0,0,0|0,0,1]=3 8063 B9R0.45 CCCCCOCCCC 34a_100000210253_100000210210 [1,1,0,0,0,0|0,0,1]=3 8064 B9R0.45 CCCCCOCCCC 7a_100000210227_100000210326 [1,1,0,0,0,0|0,0,1]=3 8065 B9R0.45 CCCCCOCCCC 7a_100000210253_100000210211 [1,1,0,0,0,0|0,0,1]=3 8066 B9R0.45 CCCCCOCCCCl 34a_100000230001_100000718602 [1,1,0,0,0,0|1,0,1]=4 8067 B9R0.45 CCCCCOCCCF 34a_100000210253_100011934791 [1,1,0,0,0,0|1,0,1]=4 8068 B9R0.45 CCCCCOCCCF 34a_100000759539_100000718602 [1,1,0,0,0,0|1,0,1]=4 8069 B9R0.45 CCCCCOCCCF 7a_100000210253_100011934791 [1,1,0,0,0,0|1,0,1]=4 8070 B9R0.45 CCCCCOCCCN 34a_100000182051_100000718602 [1,1,0,0,0,0|1,0,1]=4 8071 B9R0.45 CCCCCOCCCO 34a_100000210253_100000230001 [1,1,0,0,0,0|1,0,1]=4 8072 B9R0.45 CCCCCOCCCO 7a_100000210253_100011215043 [1,1,0,0,0,0|1,0,1]=4 8073 B9R0.45 CCCCCOCCOC 34a_100000210237_100000718602 [1,1,0,0,0,0|1,0,1]=4 8074 B9R0.45 CCCCCOCCOC 34a_100000210253_100011201679 [1,1,0,0,0,0|1,0,1]=4 8075 B9R0.45 CCCCCOCCOC 34a_100011215259_200000210301 [1,1,0,0,0,0|1,0,1]=4 8076 B9R0.45 CCCCCOCCOC 7a_100000210253_100000233755 [1,1,0,0,0,0|1,0,1]=4 8077 B9R0.45 CCCCCOCCOC 7a_100011215259_200000210301 [1,1,0,0,0,0|1,0,1]=4 8078 B9R0.45 CCCCCOCCO[13CH3] 34a_100011215259_200025704644 [1,1,0,0,0,0|1,0,1]=4 8079 B9R0.45 CCCCCOCCO[13CH3] 7a_100011215259_200025704644 [1,1,0,0,0,0|1,0,1]=4 8080 B9R0.45 CCCCCOCCSC 34a_100000210253_100000212216 [1,1,0,0,0,0|1,0,1]=4 8081 B9R0.45 CCCCCOCCSC 34a_100000230434_100000718602 [1,1,0,0,0,0|1,0,1]=4 8082 B9R0.45 CCCCCOCCSC 7a_100000210253_100000212216 [1,1,0,0,0,0|1,0,1]=4 8083 B9R0.45 CCCCCOCCSC 7a_100000230434_100000210326 [1,1,0,0,0,0|1,0,1]=4 8084 B9R0.45 CCCCCSCCCC 62a_100000210211_100000210326 [1,1,0,0,0,0|0,0,1]=3 8085 B9R0.45 CCCCCSCCCC 62a_100000210326_100000210210 [1,1,0,0,0,0|0,0,1]=3 8086 B9R0.45 CCCCCSCCCF 62a_100000210326_100011934791 [1,1,0,0,0,0|1,0,1]=4 8087 B9R0.45 CCCCCSCCCF 62a_100011934791_100000210326 [1,1,0,0,0,0|1,0,1]=4 8088 B9R0.45 CCCCCSCCCO 62a_100000210326_100011215043 [1,1,0,0,0,0|1,0,1]=4 8089 B9R0.45 CCCCCSCCCO 62a_100011215043_100000210326 [1,1,0,0,0,0|1,0,1]=4 8090 B9R0.45 CCCCCSCCOC 62a_100000210326_100000233755 [1,1,0,0,0,0|1,0,1]=4 8091 B9R0.45 CCCCCSCCOC 62a_100000233755_100000210326 [1,1,0,0,0,0|1,0,1]=4 8092 B9R0.45 CCCCCSCCSC 62a_100000210326_100000751147 [1,1,0,0,0,0|1,0,1]=4 8093 B9R0.45 CCCCCSCCSC 62a_100000212216_100000210326 [1,1,0,0,0,0|1,0,1]=4 8094 B9R0.45 CCCCCSCOCC 62a_100000210326_100000739092 [1,1,0,0,0,0|1,0,0]=3 8095 B9R0.45 CCCCCSCOCC 62a_100000739092_100000210326 [1,1,0,0,0,0|1,0,0]=3 8096 B9R0.45 CCCCNCCCCF 2230a_100000102301_100000729493 [1,1,0,0,0,0|1,0,1]=4 8097 B9R0.45 CCCCNCCCCF 7a_106832991798_100000729493 [1,1,0,0,0,0|1,0,1]=4 8098 B9R0.45 CCCCNCCCCO 2230a_100000102301_100000210776 [1,1,0,0,0,0|1,0,1]=4 8099 B9R0.45 CCCCNCCCCO 2230a_100000750430_100000210211 [1,1,0,0,0,0|1,0,1]=4 8100 B9R0.45 CCCCNCCCCO 34a_100000750430_100000210210 [1,1,0,0,0,0|1,0,1]=4 8101 B9R0.45 CCCCNCCCCO 7a_106832991798_100000210776 [1,1,0,0,0,0|1,0,1]=4 8102 B9R0.45 CCCCNCCCOC 2230a_100000102301_100000740836 [1,1,0,0,0,0|1,0,1]=4 8103 B9R0.45 CCCCNCCCOC 34a_100150723488_100000210210 [1,1,0,0,0,0|1,0,1]=4 8104 B9R0.45 CCCCNCCCOC 7a_106832991798_100000740836 [1,1,0,0,0,0|1,0,1]=4 8105 B9R0.45 CCCCNCCCSC 2230a_100000749238_100000210211 [1,1,0,0,0,0|1,0,1]=4 8106 B9R0.45 CCCCNCCOCC 2230a_100000102301_100011215890 [1,1,0,0,0,0|1,0,0]=3 8107 B9R0.45 CCCCNCCOCC 2230a_102516460346_100000210211 [1,1,0,0,0,0|1,0,0]=3 8108 B9R0.45 CCCCNCCOCC 34a_102516460346_100000210210 [1,1,0,0,0,0|1,0,0]=3 8109 B9R0.45 CCCCNCCOCC 7a_106832991798_100011215890 [1,1,0,0,0,0|1,0,0]=3 8110 B9R0.45 CCCCNCCSCC 2230a_100000102301_100000757381 [1,1,0,0,0,0|1,0,0]=3 8111 B9R0.45 CCCCNCCSCC 2230a_100000106463_100000210211 [1,1,0,0,0,0|1,0,0]=3 8112 B9R0.45 CCCCNCCSCC 7a_106832991798_100000757381 [1,1,0,0,0,0|1,0,0]=3 8113 B9R0.45 CCCCOCCCCBr 34a_100011216708_100000210210 [1,1,0,0,0,0|1,0,1]=4 8114 B9R0.45 CCCCOCCCCCl 34a_100000210776_100000210210 [1,1,0,0,0,0|1,0,1]=4 8115 B9R0.45 CCCCOCCCCCl 7a_100000210776_100000210211 [1,1,0,0,0,0|1,0,1]=4 8116 B9R0.45 CCCCOCCCCF 34a_100000210227_100000729493 [1,1,0,0,0,0|1,0,1]=4 8117 B9R0.45 CCCCOCCCCF 34a_100011995726_100000210210 [1,1,0,0,0,0|1,0,1]=4 8118 B9R0.45 CCCCOCCCCF 7a_100000210227_100000729493 [1,1,0,0,0,0|1,0,1]=4 8119 B9R0.45 CCCCOCCCCF 7a_100011995726_100000210211 [1,1,0,0,0,0|1,0,1]=4 8120 B9R0.45 CCCCOCCCCI 34a_200012148704_100000210210 [1,1,0,0,0,0|1,0,1]=4 8121 B9R0.45 CCCCOCCCCN 34a_100000750430_100000210210 [1,1,0,0,0,0|1,0,1]=4 8122 B9R0.45 CCCCOCCCCO 34a_100000210227_100011216708 [1,1,0,0,0,0|1,0,1]=4 8123 B9R0.45 CCCCOCCCCO 7a_100000210227_100000210776 [1,1,0,0,0,0|1,0,1]=4 8124 B9R0.45 CCCCOCCCNC 2230a_200000211371_200000210301 [1,1,0,0,0,0|1,0,1]=4 8125 B9R0.45 CCCCOCCCNC 34a_100000213112_100000210210 [1,1,0,0,0,0|1,0,1]=4 8126 B9R0.45 CCCCOCCCNC 34a_200000211371_200000210301 [1,1,0,0,0,0|1,0,1]=4 8127 B9R0.45 CCCCOCCCN[13CH3] 2230a_200000211371_200025704644 [1,1,0,0,0,0|1,0,1]=4 8128 B9R0.45 CCCCOCCCN[13CH3] 34a_200000211371_200025704644 [1,1,0,0,0,0|1,0,1]=4 8129 B9R0.45 CCCCOCCCOC 34a_100000210227_100000740836 [1,1,0,0,0,0|1,0,1]=4 8130 B9R0.45 CCCCOCCCOC 34a_100000740835_100000210210 [1,1,0,0,0,0|1,0,1]=4 8131 B9R0.45 CCCCOCCCOC 34a_200011215613_200000210301 [1,1,0,0,0,0|1,0,1]=4 8132 B9R0.45 CCCCOCCCOC 7a_100000210227_100000740836 [1,1,0,0,0,0|1,0,1]=4 8133 B9R0.45 CCCCOCCCOC 7a_200011215613_200000210301 [1,1,0,0,0,0|1,0,1]=4 8134 B9R0.45 CCCCOCCCO[13CH3] 34a_200011215613_200025704644 [1,1,0,0,0,0|1,0,1]=4 8135 B9R0.45 CCCCOCCCO[13CH3] 7a_200011215613_200025704644 [1,1,0,0,0,0|1,0,1]=4 8136 B9R0.45 CCCCOCCCSC 34a_100000690336_100000210210 [1,1,0,0,0,0|1,0,1]=4 8137 B9R0.45 CCCCOCCCSC 7a_100000690336_100000210211 [1,1,0,0,0,0|1,0,1]=4 8138 B9R0.45 CCCCOCCNCC 2230a_100015525214_100000743108 [1,1,0,0,0,0|1,0,0]=3 8139 B9R0.45 CCCCOCCOCC 34a_100000210136_100000210210 [1,1,0,0,0,0|1,0,0]=3 8140 B9R0.45 CCCCOCCOCC 34a_100000210227_100000210147 [1,1,0,0,0,0|1,0,0]=3 8141 B9R0.45 CCCCOCCOCC 34a_100000210238_100000210202 [1,1,0,0,0,0|1,0,0]=3 8142 B9R0.45 CCCCOCCOCC 34a_100121572206_100000743108 [1,1,0,0,0,0|1,0,0]=3 8143 B9R0.45 CCCCOCCOCC 7a_100000210136_100000210211 [1,1,0,0,0,0|1,0,0]=3 8144 B9R0.45 CCCCOCCOCC 7a_100000210227_100011215890 [1,1,0,0,0,0|1,0,0]=3 8145 B9R0.45 CCCCOCCOCC 7a_100000210238_100000210202 [1,1,0,0,0,0|1,0,0]=3 8146 B9R0.45 CCCCOCCOCF 34a_100000210238_100015361967 [1,1,0,0,0,0|2,0,0]=4 8147 B9R0.45 CCCCOCCOCF 7a_100000210238_100015361967 [1,1,0,0,0,0|2,0,0]=4 8148 B9R0.45 CCCCOCCSCC 34a_100000210227_100000757381 [1,1,0,0,0,0|1,0,0]=3 8149 B9R0.45 CCCCOCCSCC 34a_100000212035_100000210210 [1,1,0,0,0,0|1,0,0]=3 8150 B9R0.45 CCCCOCCSCC 62a_100000210202_100000743108 [1,1,0,0,0,0|1,0,0]=3 8151 B9R0.45 CCCCOCCSCC 62a_100000743108_100000210202 [1,1,0,0,0,0|1,0,0]=3 8152 B9R0.45 CCCCOCCSCC 7a_100000210227_100000757381 [1,1,0,0,0,0|1,0,0]=3 8153 B9R0.45 CCCCOCCSCC 7a_100000212035_100000210211 [1,1,0,0,0,0|1,0,0]=3 8154 B9R0.45 CCCCOCCSCF 62a_100000743108_100015361967 [1,1,0,0,0,0|2,0,0]=4 8155 B9R0.45 CCCCOCCSCF 62a_100015361967_100000743108 [1,1,0,0,0,0|2,0,0]=4 8156 B9R0.45 CCCCOCNCCF 34a_100000724931_100011995733 [1,1,0,0,0,0|2,0,0]=4 8157 B9R0.45 CCCCOCNCCO 2230a_100016997473_100011995733 [1,1,0,0,0,0|2,0,0]=4 8158 B9R0.45 CCCCOCNCCO 34a_100016990907_100011995733 [1,1,0,0,0,0|2,0,0]=4 8159 B9R0.45 CCCCOCOCCBr 34a_100000211926_100011995733 [1,1,0,0,0,0|2,0,0]=4 8160 B9R0.45 CCCCOCOCCC 34a_100000210258_100011995733 [1,1,0,0,0,0|1,0,1]=4 8161 B9R0.45 CCCCOCOCCN 34a_100000210304_100011995733 [1,1,0,0,0,0|2,0,0]=4 8162 B9R0.45 CCCCOCSCCC 62a_100000210303_100011995733 [1,1,0,0,0,0|1,0,1]=4 8163 B9R0.45 CCCCOCSCCC 62a_100011995733_100000210303 [1,1,0,0,0,0|1,0,1]=4 8164 B9R0.45 CCCCOCSCCF 62a_100011217306_100011995733 [1,1,0,0,0,0|2,0,0]=4 8165 B9R0.45 CCCCOCSCCF 62a_100011995733_100011217306 [1,1,0,0,0,0|2,0,0]=4 8166 B9R0.45 CCCCOCSCCO 62a_100000211926_100011995733 [1,1,0,0,0,0|2,0,0]=4 8167 B9R0.45 CCCCOCSCCO 62a_100011995733_100000211926 [1,1,0,0,0,0|2,0,0]=4 8168 B9R0.45 CCCCOCSCOC 62a_100000766300_100011995733 [1,1,0,0,0,0|2,0,0]=4 8169 B9R0.45 CCCCOCSCOC 62a_100011995733_100000766300 [1,1,0,0,0,0|2,0,0]=4 8170 B9R0.45 CCCCOCSCSC 62a_100011218213_100011995733 [1,1,0,0,0,0|2,0,0]=4 8171 B9R0.45 CCCCOCSCSC 62a_100011995733_100011218213 [1,1,0,0,0,0|2,0,0]=4 8172 B9R0.45 CCCCSCCCCF 62a_100000210211_100000729493 [1,1,0,0,0,0|1,0,1]=4 8173 B9R0.45 CCCCSCCCCF 62a_100000729493_100000210210 [1,1,0,0,0,0|1,0,1]=4 8174 B9R0.45 CCCCSCCCCO 62a_100000210211_100000210776 [1,1,0,0,0,0|1,0,1]=4 8175 B9R0.45 CCCCSCCCCO 62a_100000210776_100000210210 [1,1,0,0,0,0|1,0,1]=4 8176 B9R0.45 CCCCSCCCOC 62a_100000210211_100000709357 [1,1,0,0,0,0|1,0,1]=4 8177 B9R0.45 CCCCSCCCOC 62a_100000709357_100000210210 [1,1,0,0,0,0|1,0,1]=4 8178 B9R0.45 CCCCSCCNCC 2230a_100025743550_100000210202 [1,1,0,0,0,0|1,0,0]=3 8179 B9R0.45 CCCCSCCOCC 34a_200000230436_100000210202 [1,1,0,0,0,0|1,0,0]=3 8180 B9R0.45 CCCCSCCOCC 62a_100000210147_100000210210 [1,1,0,0,0,0|1,0,0]=3 8181 B9R0.45 CCCCSCCOCC 62a_100000210211_100011215890 [1,1,0,0,0,0|1,0,0]=3 8182 B9R0.45 CCCCSCCOCC 7a_200000230436_100000210202 [1,1,0,0,0,0|1,0,0]=3 8183 B9R0.45 CCCCSCCOCF 34a_200000230436_100015361967 [1,1,0,0,0,0|2,0,0]=4 8184 B9R0.45 CCCCSCCOCF 7a_200000230436_100015361967 [1,1,0,0,0,0|2,0,0]=4 8185 B9R0.45 CCCCSCCSCC 62a_100000210211_100000757381 [1,1,0,0,0,0|1,0,0]=3 8186 B9R0.45 CCCCSCCSCC 62a_100000757381_100000210210 [1,1,0,0,0,0|1,0,0]=3 8187 B9R0.45 CCCNCCCCCO 2230a_100000762737_100000210303 [1,1,0,0,0,0|1,0,1]=4 8188 B9R0.45 CCCNCCCCCO 34a_100000762737_100000210303 [1,1,0,0,0,0|1,0,1]=4 8189 B9R0.45 CCCNCCCOCC 2230a_100000210961_100000210303 [1,1,0,0,0,0|1,0,0]=3 8190 B9R0.45 CCCNCCCOCC 34a_100000210961_100000210303 [1,1,0,0,0,0|1,0,0]=3 8191 B9R0.45 CCCNCCOCCC 2230a_100161115042_100000210303 [1,1,0,0,0,0|1,0,1]=4 8192 B9R0.45 CCCNCCOCCC 34a_100161115042_100000210303 [1,1,0,0,0,0|1,0,1]=4 8193 B9R0.45 CCCNCCOCCO 2230a_100000211614_100000210303 [1,1,0,0,0,0|2,0,0]=4 8194 B9R0.45 CCCNCCOCCO 34a_100000211614_100000210303 [1,1,0,0,0,0|2,0,0]=4 8195 B9R0.45 CCCNCCSCCC 2230a_100020603323_100000210303 [1,1,0,0,0,0|1,0,1]=4 8196 B9R0.45 CCCNCCSCCO 2230a_100011219999_100000210303 [1,1,0,0,0,0|2,0,0]=4 8197 B9R0.45 CCCOCCCCCBr 34a_100000746331_100000210303 [1,1,0,0,0,0|1,0,1]=4 8198 B9R0.45 CCCOCCCCCBr 7a_100000746331_100000210303 [1,1,0,0,0,0|1,0,1]=4 8199 B9R0.45 CCCOCCCCCCl 34a_100000746330_100000210303 [1,1,0,0,0,0|1,0,1]=4 8200 B9R0.45 CCCOCCCCCCl 7a_100000746330_100000210303 [1,1,0,0,0,0|1,0,1]=4 8201 B9R0.45 CCCOCCCCCF 34a_100000210258_100000729378 [1,1,0,0,0,0|1,0,1]=4 8202 B9R0.45 CCCOCCCCCI 34a_200012148887_100000210303 [1,1,0,0,0,0|1,0,1]=4 8203 B9R0.45 CCCOCCCCCI 7a_200012148887_100000210303 [1,1,0,0,0,0|1,0,1]=4 8204 B9R0.45 CCCOCCCCCN 34a_100000762737_100000210303 [1,1,0,0,0,0|1,0,1]=4 8205 B9R0.45 CCCOCCCCCO 34a_100000210258_100000746330 [1,1,0,0,0,0|1,0,1]=4 8206 B9R0.45 CCCOCCCCOC 34a_100000210258_100000755781 [1,1,0,0,0,0|1,0,1]=4 8207 B9R0.45 CCCOCCCCOC 34a_100000740925_100000210303 [1,1,0,0,0,0|1,0,1]=4 8208 B9R0.45 CCCOCCCCSC 34a_100011217163_100000210303 [1,1,0,0,0,0|1,0,1]=4 8209 B9R0.45 CCCOCCCCSC 7a_100011217163_100000210303 [1,1,0,0,0,0|1,0,1]=4 8210 B9R0.45 CCCOCCCNCC 2230a_100011217757_100000210202 [1,1,0,0,0,0|1,0,0]=3 8211 B9R0.45 CCCOCCCNCC 34a_100011217757_100000210202 [1,1,0,0,0,0|1,0,0]=3 8212 B9R0.45 CCCOCCCNCF 34a_100011217757_100015361967 [1,1,0,0,0,0|2,0,0]=4 8213 B9R0.45 CCCOCCCOCC 34a_100000210258_100012232248 [1,1,0,0,0,0|1,0,0]=3 8214 B9R0.45 CCCOCCCOCC 34a_100000757476_100000210303 [1,1,0,0,0,0|1,0,0]=3 8215 B9R0.45 CCCOCCCOCC 7a_100000757476_100000210303 [1,1,0,0,0,0|1,0,0]=3 8216 B9R0.45 CCCOCCCSCC 34a_100011216438_100000210303 [1,1,0,0,0,0|1,0,0]=3 8217 B9R0.45 CCCOCCCSCC 7a_100011216438_100000210303 [1,1,0,0,0,0|1,0,0]=3 8218 B9R0.45 CCCOCCNCCF 2230a_100161115042_100011217306 [1,1,0,0,0,0|2,0,0]=4 8219 B9R0.45 CCCOCCNCCF 34a_100000724931_100011215938 [1,1,0,0,0,0|2,0,0]=4 8220 B9R0.45 CCCOCCNCCF 34a_100161115042_100011217306 [1,1,0,0,0,0|2,0,0]=4 8221 B9R0.45 CCCOCCNCCO 2230a_100016997473_100011215938 [1,1,0,0,0,0|2,0,0]=4 8222 B9R0.45 CCCOCCNCCO 2230a_100161115042_100000211926 [1,1,0,0,0,0|2,0,0]=4 8223 B9R0.45 CCCOCCNCCO 34a_100016990907_100011215938 [1,1,0,0,0,0|2,0,0]=4 8224 B9R0.45 CCCOCCNCCO 34a_100161115042_100000211926 [1,1,0,0,0,0|2,0,0]=4 8225 B9R0.45 CCCOCCNCOC 2230a_100161115042_100000766300 [1,1,0,0,0,0|2,0,0]=4 8226 B9R0.45 CCCOCCNCSC 2230a_100161115042_100011218213 [1,1,0,0,0,0|2,0,0]=4 8227 B9R0.45 CCCOCCNCSC 34a_100161115042_100011218213 [1,1,0,0,0,0|2,0,0]=4 8228 B9R0.45 CCCOCCOCCBr 34a_100000211926_100011215938 [1,1,0,0,0,0|2,0,0]=4 8229 B9R0.45 CCCOCCOCCBr 34a_100000692535_100000210303 [1,1,0,0,0,0|2,0,0]=4 8230 B9R0.45 CCCOCCOCCBr 7a_100000692535_100000210303 [1,1,0,0,0,0|2,0,0]=4 8231 B9R0.45 CCCOCCOCCC 34a_100000210258_100011215938 [1,1,0,0,0,0|1,0,1]=4 8232 B9R0.45 CCCOCCOCCC 34a_100000752267_100000210303 [1,1,0,0,0,0|1,0,1]=4 8233 B9R0.45 CCCOCCOCCC 7a_100000752267_100000210303 [1,1,0,0,0,0|1,0,1]=4 8234 B9R0.45 CCCOCCOCCCl 34a_100011215305_100000210303 [1,1,0,0,0,0|2,0,0]=4 8235 B9R0.45 CCCOCCOCCCl 7a_100011215305_100000210303 [1,1,0,0,0,0|2,0,0]=4 8236 B9R0.45 CCCOCCOCCF 34a_100000752267_100011217306 [1,1,0,0,0,0|2,0,0]=4 8237 B9R0.45 CCCOCCOCCF 34a_200015357709_100000210303 [1,1,0,0,0,0|2,0,0]=4 8238 B9R0.45 CCCOCCOCCF 7a_100000752267_100011217306 [1,1,0,0,0,0|2,0,0]=4 8239 B9R0.45 CCCOCCOCCF 7a_200015357709_100000210303 [1,1,0,0,0,0|2,0,0]=4 8240 B9R0.45 CCCOCCOCCI 34a_100012149058_100000210303 [1,1,0,0,0,0|2,0,0]=4 8241 B9R0.45 CCCOCCOCCI 7a_100012149058_100000210303 [1,1,0,0,0,0|2,0,0]=4 8242 B9R0.45 CCCOCCOCCN 34a_100000210304_100011215938 [1,1,0,0,0,0|2,0,0]=4 8243 B9R0.45 CCCOCCOCCN 34a_100000211614_100000210303 [1,1,0,0,0,0|2,0,0]=4 8244 B9R0.45 CCCOCCOCCO 34a_100000210258_100000692535 [1,1,0,0,0,0|2,0,0]=4 8245 B9R0.45 CCCOCCOCCO 34a_100000752267_100000211926 [1,1,0,0,0,0|2,0,0]=4 8246 B9R0.45 CCCOCCOCCO 7a_100000752267_100000211926 [1,1,0,0,0,0|2,0,0]=4 8247 B9R0.45 CCCOCCOCSC 34a_100000752267_100011218213 [1,1,0,0,0,0|2,0,0]=4 8248 B9R0.45 CCCOCCSCCC 34a_200000230433_100000210303 [1,1,0,0,0,0|1,0,1]=4 8249 B9R0.45 CCCOCCSCCC 62a_100000210303_100011215938 [1,1,0,0,0,0|1,0,1]=4 8250 B9R0.45 CCCOCCSCCC 62a_100011215938_100000210303 [1,1,0,0,0,0|1,0,1]=4 8251 B9R0.45 CCCOCCSCCC 7a_200000230433_100000210303 [1,1,0,0,0,0|1,0,1]=4 8252 B9R0.45 CCCOCCSCCF 62a_100011215938_100011217306 [1,1,0,0,0,0|2,0,0]=4 8253 B9R0.45 CCCOCCSCCF 62a_100011217306_100011215938 [1,1,0,0,0,0|2,0,0]=4 8254 B9R0.45 CCCOCCSCCO 62a_100000211926_100011215938 [1,1,0,0,0,0|2,0,0]=4 8255 B9R0.45 CCCOCCSCCO 62a_100011215938_100000211926 [1,1,0,0,0,0|2,0,0]=4 8256 B9R0.45 CCCOCCSCOC 62a_100000766300_100011215938 [1,1,0,0,0,0|2,0,0]=4 8257 B9R0.45 CCCOCCSCOC 62a_100011215938_100000766300 [1,1,0,0,0,0|2,0,0]=4 8258 B9R0.45 CCCOCCSCSC 62a_100011215938_100011218213 [1,1,0,0,0,0|2,0,0]=4 8259 B9R0.45 CCCOCCSCSC 62a_100011218213_100011215938 [1,1,0,0,0,0|2,0,0]=4 8260 B9R0.45 CCCSCCCCCF 62a_100000210303_100000729378 [1,1,0,0,0,0|1,0,1]=4 8261 B9R0.45 CCCSCCCCCF 62a_100000729378_100000210303 [1,1,0,0,0,0|1,0,1]=4 8262 B9R0.45 CCCSCCCCCO 62a_100000210303_100000746330 [1,1,0,0,0,0|1,0,1]=4 8263 B9R0.45 CCCSCCCCCO 62a_100000746330_100000210303 [1,1,0,0,0,0|1,0,1]=4 8264 B9R0.45 CCCSCCCCOC 62a_100000210303_100000730899 [1,1,0,0,0,0|1,0,1]=4 8265 B9R0.45 CCCSCCCCOC 62a_100000730899_100000210303 [1,1,0,0,0,0|1,0,1]=4 8266 B9R0.45 CCCSCCCOCC 62a_100000210303_100012232248 [1,1,0,0,0,0|1,0,0]=3 8267 B9R0.45 CCCSCCCOCC 62a_100012232248_100000210303 [1,1,0,0,0,0|1,0,0]=3 8268 B9R0.45 CCCSCCNCCF 2230a_100020603323_100011217306 [1,1,0,0,0,0|2,0,0]=4 8269 B9R0.45 CCCSCCNCCO 2230a_100020603323_100000211926 [1,1,0,0,0,0|2,0,0]=4 8270 B9R0.45 CCCSCCNCOC 2230a_100020603323_100000766300 [1,1,0,0,0,0|2,0,0]=4 8271 B9R0.45 CCCSCCNCSC 2230a_100020603323_100011218213 [1,1,0,0,0,0|2,0,0]=4 8272 B9R0.45 CCCSCCOCCF 34a_200000230433_100011217306 [1,1,0,0,0,0|2,0,0]=4 8273 B9R0.45 CCCSCCOCCF 7a_200000230433_100011217306 [1,1,0,0,0,0|2,0,0]=4 8274 B9R0.45 CCCSCCOCCO 34a_200000230433_100000211926 [1,1,0,0,0,0|2,0,0]=4 8275 B9R0.45 CCCSCCOCCO 62a_100000210303_100011215305 [1,1,0,0,0,0|2,0,0]=4 8276 B9R0.45 CCCSCCOCCO 62a_100011215305_100000210303 [1,1,0,0,0,0|2,0,0]=4 8277 B9R0.45 CCCSCCOCCO 7a_200000230433_100000211926 [1,1,0,0,0,0|2,0,0]=4 8278 B9R0.45 CCCSCCOCSC 34a_200000230433_100011218213 [1,1,0,0,0,0|2,0,0]=4 8279 B9R0.45 CCNCCCCCC#N 2230a_100015525214_100009813376 [1,1,0,0,0,0|1,0,1]=4 8280 B9R0.45 CCNCCCCCC=O 2230a_100015525214_100000139337 [1,1,0,0,0,0|1,0,1]=4 8281 B9R0.45 CCNCCCCCCF 2230a_100015525214_100015922095 [1,1,0,0,0,0|1,0,0]=3 8282 B9R0.45 CCNCCCCCCO 2230a_100000686447_100000210202 [1,1,0,0,0,0|1,0,0]=3 8283 B9R0.45 CCNCCCCCCO 2230a_100015525214_100000766143 [1,1,0,0,0,0|1,0,0]=3 8284 B9R0.45 CCNCCCCCCO 34a_100000686447_100000210202 [1,1,0,0,0,0|1,0,0]=3 8285 B9R0.45 CCNCCCCCOC 2230a_100000747528_100000210202 [1,1,0,0,0,0|1,0,0]=3 8286 B9R0.45 CCNCCCCCOC 34a_100000747528_100000210202 [1,1,0,0,0,0|1,0,0]=3 8287 B9R0.45 CCNCCOCCOC 2230a_100000745349_100000210202 [1,1,0,0,0,0|2,0,0]=4 8288 B9R0.45 CCNCCOCCOC 2230a_100015525214_100000695917 [1,1,0,0,0,0|2,0,0]=4 8289 B9R0.45 CCNCCOCCOC 34a_100000745349_100000210202 [1,1,0,0,0,0|2,0,0]=4 8290 B9R0.45 CCOCCCCCCBr 34a_100011215345_100000210202 [1,1,0,0,0,0|1,0,0]=3 8291 B9R0.45 CCOCCCCCCBr 7a_100011215345_100000210202 [1,1,0,0,0,0|1,0,0]=3 8292 B9R0.45 CCOCCCCCCCl 34a_100000766143_100000210202 [1,1,0,0,0,0|1,0,0]=3 8293 B9R0.45 CCOCCCCCCCl 7a_100000766143_100000210202 [1,1,0,0,0,0|1,0,0]=3 8294 B9R0.45 CCOCCCCCCF 34a_100000732779_100000210202 [1,1,0,0,0,0|1,0,0]=3 8295 B9R0.45 CCOCCCCCCF 34a_100121572206_100015922095 [1,1,0,0,0,0|1,0,0]=3 8296 B9R0.45 CCOCCCCCCF 7a_100000732779_100000210202 [1,1,0,0,0,0|1,0,0]=3 8297 B9R0.45 CCOCCCCCCN 34a_100000686447_100000210202 [1,1,0,0,0,0|1,0,0]=3 8298 B9R0.45 CCOCCCCCCO 34a_100121572206_100000766143 [1,1,0,0,0,0|1,0,0]=3 8299 B9R0.45 CCOCCCCCNC 34a_100000722520_100000210202 [1,1,0,0,0,0|1,0,0]=3 8300 B9R0.45 CCOCCCNCCF 2230a_100000210961_100011217306 [1,1,0,0,0,0|2,0,0]=4 8301 B9R0.45 CCOCCCNCCF 34a_100000210961_100011217306 [1,1,0,0,0,0|2,0,0]=4 8302 B9R0.45 CCOCCCNCCF 34a_100000724931_100012232248 [1,1,0,0,0,0|2,0,0]=4 8303 B9R0.45 CCOCCCNCCO 2230a_100000210961_100000211926 [1,1,0,0,0,0|2,0,0]=4 8304 B9R0.45 CCOCCCNCCO 2230a_100016997473_100012232248 [1,1,0,0,0,0|2,0,0]=4 8305 B9R0.45 CCOCCCNCCO 34a_100000210961_100000211926 [1,1,0,0,0,0|2,0,0]=4 8306 B9R0.45 CCOCCCNCCO 34a_100016990907_100012232248 [1,1,0,0,0,0|2,0,0]=4 8307 B9R0.45 CCOCCCNCOC 2230a_100000210961_100000766300 [1,1,0,0,0,0|2,0,0]=4 8308 B9R0.45 CCOCCCNCSC 2230a_100000210961_100011218213 [1,1,0,0,0,0|2,0,0]=4 8309 B9R0.45 CCOCCCNCSC 34a_100000210961_100011218213 [1,1,0,0,0,0|2,0,0]=4 8310 B9R0.45 CCOCCCOCCBr 34a_100000211926_100012232248 [1,1,0,0,0,0|2,0,0]=4 8311 B9R0.45 CCOCCCOCCF 34a_100000757476_100011217306 [1,1,0,0,0,0|2,0,0]=4 8312 B9R0.45 CCOCCCOCCF 7a_100000757476_100011217306 [1,1,0,0,0,0|2,0,0]=4 8313 B9R0.45 CCOCCCOCCN 34a_100000210304_100012232248 [1,1,0,0,0,0|2,0,0]=4 8314 B9R0.45 CCOCCCOCCO 34a_100000757476_100000211926 [1,1,0,0,0,0|2,0,0]=4 8315 B9R0.45 CCOCCCOCCO 7a_100000757476_100000211926 [1,1,0,0,0,0|2,0,0]=4 8316 B9R0.45 CCOCCCOCSC 34a_100000757476_100011218213 [1,1,0,0,0,0|2,0,0]=4 8317 B9R0.45 CCOCCCSCCF 62a_100011217306_100012232248 [1,1,0,0,0,0|2,0,0]=4 8318 B9R0.45 CCOCCCSCCF 62a_100012232248_100011217306 [1,1,0,0,0,0|2,0,0]=4 8319 B9R0.45 CCOCCCSCCO 62a_100000211926_100012232248 [1,1,0,0,0,0|2,0,0]=4 8320 B9R0.45 CCOCCCSCCO 62a_100012232248_100000211926 [1,1,0,0,0,0|2,0,0]=4 8321 B9R0.45 CCOCCCSCOC 62a_100000766300_100012232248 [1,1,0,0,0,0|2,0,0]=4 8322 B9R0.45 CCOCCCSCOC 62a_100012232248_100000766300 [1,1,0,0,0,0|2,0,0]=4 8323 B9R0.45 CCOCCCSCSC 62a_100011218213_100012232248 [1,1,0,0,0,0|2,0,0]=4 8324 B9R0.45 CCOCCCSCSC 62a_100012232248_100011218213 [1,1,0,0,0,0|2,0,0]=4 8325 B9R0.45 CCOCCNCCCF 2230a_100015189416_100011215890 [1,1,0,0,0,0|2,0,0]=4 8326 B9R0.45 CCOCCNCCCF 2230a_102516460346_100011934791 [1,1,0,0,0,0|2,0,0]=4 8327 B9R0.45 CCOCCNCCCF 34a_100015189416_100000210147 [1,1,0,0,0,0|2,0,0]=4 8328 B9R0.45 CCOCCNCCCF 34a_102516460346_100011934791 [1,1,0,0,0,0|2,0,0]=4 8329 B9R0.45 CCOCCNCCCO 2230a_102516460346_100000230001 [1,1,0,0,0,0|2,0,0]=4 8330 B9R0.45 CCOCCNCCCO 34a_102516460346_100000230001 [1,1,0,0,0,0|2,0,0]=4 8331 B9R0.45 CCOCCNCCOC 2230a_100000209980_100011215890 [1,1,0,0,0,0|2,0,0]=4 8332 B9R0.45 CCOCCNCCOC 2230a_102516460346_100011201679 [1,1,0,0,0,0|2,0,0]=4 8333 B9R0.45 CCOCCNCCOC 34a_102516460346_100011201679 [1,1,0,0,0,0|2,0,0]=4 8334 B9R0.45 CCOCCNCCSC 2230a_100020590264_100011215890 [1,1,0,0,0,0|2,0,0]=4 8335 B9R0.45 CCOCCNCCSC 2230a_102516460346_100000751147 [1,1,0,0,0,0|2,0,0]=4 8336 B9R0.45 CCOCCNCCSC 34a_102516460346_100000212216 [1,1,0,0,0,0|2,0,0]=4 8337 B9R0.45 CCOCCOCCCBr 34a_100011217188_100000210147 [1,1,0,0,0,0|2,0,0]=4 8338 B9R0.45 CCOCCOCCCCl 34a_100000230001_100000210147 [1,1,0,0,0,0|2,0,0]=4 8339 B9R0.45 CCOCCOCCCF 34a_100000210136_100011934791 [1,1,0,0,0,0|2,0,0]=4 8340 B9R0.45 CCOCCOCCCF 34a_100000759539_100000210147 [1,1,0,0,0,0|2,0,0]=4 8341 B9R0.45 CCOCCOCCCF 7a_100000210136_100011934791 [1,1,0,0,0,0|2,0,0]=4 8342 B9R0.45 CCOCCOCCCN 34a_100000182051_100000210147 [1,1,0,0,0,0|2,0,0]=4 8343 B9R0.45 CCOCCOCCCO 34a_100000210136_100000230001 [1,1,0,0,0,0|2,0,0]=4 8344 B9R0.45 CCOCCOCCCO 7a_100000210136_100011215043 [1,1,0,0,0,0|2,0,0]=4 8345 B9R0.45 CCOCCOCCNC 2230a_100102712874_200000210301 [1,1,0,0,0,0|2,0,0]=4 8346 B9R0.45 CCOCCOCCNC 2230a_106832991635_100011211534 [1,1,0,0,0,0|2,0,0]=4 8347 B9R0.45 CCOCCOCCNC 34a_100000228057_100000210202 [1,1,0,0,0,0|2,0,0]=4 8348 B9R0.45 CCOCCOCCNC 34a_100102657272_100011211534 [1,1,0,0,0,0|2,0,0]=4 8349 B9R0.45 CCOCCOCCNC 34a_100102712874_200000210301 [1,1,0,0,0,0|2,0,0]=4 8350 B9R0.45 CCOCCOCCNC 7a_106832991635_100011211534 [1,1,0,0,0,0|2,0,0]=4 8351 B9R0.45 CCOCCOCCN[13CH3] 2230a_100102712874_200025704644 [1,1,0,0,0,0|2,0,0]=4 8352 B9R0.45 CCOCCOCCN[13CH3] 34a_100102712874_200025704644 [1,1,0,0,0,0|2,0,0]=4 8353 B9R0.45 CCOCCOCCOC 34a_100000210136_100011201679 [1,1,0,0,0,0|2,0,0]=4 8354 B9R0.45 CCOCCOCCOC 34a_100000210237_100000210147 [1,1,0,0,0,0|2,0,0]=4 8355 B9R0.45 CCOCCOCCOC 34a_100000210240_200000210301 [1,1,0,0,0,0|2,0,0]=4 8356 B9R0.45 CCOCCOCCOC 34a_100011215163_100000210202 [1,1,0,0,0,0|2,0,0]=4 8357 B9R0.45 CCOCCOCCOC 34a_100121572206_100000695917 [1,1,0,0,0,0|2,0,0]=4 8358 B9R0.45 CCOCCOCCOC 34a_100138415774_100011211534 [1,1,0,0,0,0|2,0,0]=4 8359 B9R0.45 CCOCCOCCOC 7a_100000210136_100000233755 [1,1,0,0,0,0|2,0,0]=4 8360 B9R0.45 CCOCCOCCOC 7a_100000210240_200000210301 [1,1,0,0,0,0|2,0,0]=4 8361 B9R0.45 CCOCCOCCOC 7a_100011215163_100000210202 [1,1,0,0,0,0|2,0,0]=4 8362 B9R0.45 CCOCCOCCO[13CH3] 34a_100000210240_200025704644 [1,1,0,0,0,0|2,0,0]=4 8363 B9R0.45 CCOCCOCCO[13CH3] 7a_100000210240_200025704644 [1,1,0,0,0,0|2,0,0]=4 8364 B9R0.45 CCOCCOCCSC 34a_100000210136_100000212216 [1,1,0,0,0,0|2,0,0]=4 8365 B9R0.45 CCOCCOCCSC 34a_100000230434_100000210147 [1,1,0,0,0,0|2,0,0]=4 8366 B9R0.45 CCOCCOCCSC 62a_100011211534_200000210301 [1,1,0,0,0,0|2,0,0]=4 8367 B9R0.45 CCOCCOCCSC 62a_200000210301_100011211534 [1,1,0,0,0,0|2,0,0]=4 8368 B9R0.45 CCOCCOCCSC 7a_100000210136_100000212216 [1,1,0,0,0,0|2,0,0]=4 8369 B9R0.45 CCOCCOCCSC 7a_100000230434_100011215890 [1,1,0,0,0,0|2,0,0]=4 8370 B9R0.45 CCOCCOCCS[13CH3] 62a_100011211534_200025704644 [1,1,0,0,0,0|2,0,0]=4 8371 B9R0.45 CCOCCOCCS[13CH3] 62a_200025704644_100011211534 [1,1,0,0,0,0|2,0,0]=4 8372 B9R0.45 CCOCCSCCCF 62a_100000210147_100011934791 [1,1,0,0,0,0|2,0,0]=4 8373 B9R0.45 CCOCCSCCCF 62a_100011934791_100011215890 [1,1,0,0,0,0|2,0,0]=4 8374 B9R0.45 CCOCCSCCCO 62a_100000210147_100011215043 [1,1,0,0,0,0|2,0,0]=4 8375 B9R0.45 CCOCCSCCCO 62a_100011215043_100011215890 [1,1,0,0,0,0|2,0,0]=4 8376 B9R0.45 CCOCCSCCOC 62a_100000210147_100000233755 [1,1,0,0,0,0|2,0,0]=4 8377 B9R0.45 CCOCCSCCOC 62a_100000233755_100011215890 [1,1,0,0,0,0|2,0,0]=4 8378 B9R0.45 CCOCCSCCSC 62a_100000210147_100000751147 [1,1,0,0,0,0|2,0,0]=4 8379 B9R0.45 CCOCCSCCSC 62a_100000212216_100011215890 [1,1,0,0,0,0|2,0,0]=4 8380 B9R0.45 CCOCCSCOCC 62a_100000210147_100000739092 [1,1,0,0,0,0|2,0,0]=4 8381 B9R0.45 CCOCCSCOCC 62a_100000739092_100011215890 [1,1,0,0,0,0|2,0,0]=4 8382 B9R0.45 CCOCSCCCCF 62a_100000729493_100000739092 [1,1,0,0,0,0|2,0,0]=4 8383 B9R0.45 CCOCSCCCCF 62a_100000739092_100000729493 [1,1,0,0,0,0|2,0,0]=4 8384 B9R0.45 CCOCSCCCCO 62a_100000210776_100000739092 [1,1,0,0,0,0|2,0,0]=4 8385 B9R0.45 CCOCSCCCCO 62a_100000739092_100000210776 [1,1,0,0,0,0|2,0,0]=4 8386 B9R0.45 CCOCSCCCOC 62a_100000709357_100000739092 [1,1,0,0,0,0|2,0,0]=4 8387 B9R0.45 CCOCSCCCOC 62a_100000739092_100000709357 [1,1,0,0,0,0|2,0,0]=4 8388 B9R0.45 CCOCSCCSCC 62a_100000739092_100000757381 [1,1,0,0,0,0|2,0,0]=4 8389 B9R0.45 CCOCSCCSCC 62a_100000757381_100000739092 [1,1,0,0,0,0|2,0,0]=4 8390 B9R0.45 CCSCCCCCC#N 62a_100000210202_100009813376 [1,1,0,0,0,0|1,0,1]=4 8391 B9R0.45 CCSCCCCCC#N 62a_100009813376_100000210202 [1,1,0,0,0,0|1,0,1]=4 8392 B9R0.45 CCSCCCCCC=O 62a_100000139337_100000210202 [1,1,0,0,0,0|1,0,1]=4 8393 B9R0.45 CCSCCCCCC=O 62a_100000210202_100000139337 [1,1,0,0,0,0|1,0,1]=4 8394 B9R0.45 CCSCCCCCCF 62a_100000210202_100015922095 [1,1,0,0,0,0|1,0,0]=3 8395 B9R0.45 CCSCCCCCCF 62a_100015922095_100000210202 [1,1,0,0,0,0|1,0,0]=3 8396 B9R0.45 CCSCCCCCCO 62a_100000210202_100000766143 [1,1,0,0,0,0|1,0,0]=3 8397 B9R0.45 CCSCCCCCCO 62a_100000766143_100000210202 [1,1,0,0,0,0|1,0,0]=3 8398 B9R0.45 CCSCCCOCCF 34a_100011216438_100011217306 [1,1,0,0,0,0|2,0,0]=4 8399 B9R0.45 CCSCCCOCCF 7a_100011216438_100011217306 [1,1,0,0,0,0|2,0,0]=4 8400 B9R0.45 CCSCCCOCCO 34a_100011216438_100000211926 [1,1,0,0,0,0|2,0,0]=4 8401 B9R0.45 CCSCCCOCCO 7a_100011216438_100000211926 [1,1,0,0,0,0|2,0,0]=4 8402 B9R0.45 CCSCCCOCSC 34a_100011216438_100011218213 [1,1,0,0,0,0|2,0,0]=4 8403 B9R0.45 CCSCCNCCCF 2230a_100000106463_100011934791 [1,1,0,0,0,0|2,0,0]=4 8404 B9R0.45 CCSCCNCCCF 2230a_100015189416_100000757381 [1,1,0,0,0,0|2,0,0]=4 8405 B9R0.45 CCSCCNCCCF 34a_100015189416_100000757381 [1,1,0,0,0,0|2,0,0]=4 8406 B9R0.45 CCSCCNCCCO 2230a_100000106463_100000230001 [1,1,0,0,0,0|2,0,0]=4 8407 B9R0.45 CCSCCNCCOC 2230a_100000106463_100011201679 [1,1,0,0,0,0|2,0,0]=4 8408 B9R0.45 CCSCCNCCOC 2230a_100000209980_100000757381 [1,1,0,0,0,0|2,0,0]=4 8409 B9R0.45 CCSCCNCCSC 2230a_100000106463_100000751147 [1,1,0,0,0,0|2,0,0]=4 8410 B9R0.45 CCSCCNCCSC 2230a_100020590264_100000757381 [1,1,0,0,0,0|2,0,0]=4 8411 B9R0.45 CCSCCOCCCBr 34a_100011217188_100000757381 [1,1,0,0,0,0|2,0,0]=4 8412 B9R0.45 CCSCCOCCCCl 34a_100000230001_100000757381 [1,1,0,0,0,0|2,0,0]=4 8413 B9R0.45 CCSCCOCCCF 34a_100000212035_100011934791 [1,1,0,0,0,0|2,0,0]=4 8414 B9R0.45 CCSCCOCCCF 34a_100000759539_100000757381 [1,1,0,0,0,0|2,0,0]=4 8415 B9R0.45 CCSCCOCCCF 7a_100000212035_100011934791 [1,1,0,0,0,0|2,0,0]=4 8416 B9R0.45 CCSCCOCCCN 34a_100000182051_100000757381 [1,1,0,0,0,0|2,0,0]=4 8417 B9R0.45 CCSCCOCCCO 34a_100000212035_100000230001 [1,1,0,0,0,0|2,0,0]=4 8418 B9R0.45 CCSCCOCCCO 7a_100000212035_100011215043 [1,1,0,0,0,0|2,0,0]=4 8419 B9R0.45 CCSCCOCCOC 34a_100000210237_100000757381 [1,1,0,0,0,0|2,0,0]=4 8420 B9R0.45 CCSCCOCCOC 34a_100000212035_100011201679 [1,1,0,0,0,0|2,0,0]=4 8421 B9R0.45 CCSCCOCCOC 62a_100000210202_100000695917 [1,1,0,0,0,0|2,0,0]=4 8422 B9R0.45 CCSCCOCCOC 62a_100000695917_100000210202 [1,1,0,0,0,0|2,0,0]=4 8423 B9R0.45 CCSCCOCCOC 7a_100000212035_100000233755 [1,1,0,0,0,0|2,0,0]=4 8424 B9R0.45 CCSCCOCCSC 34a_100000212035_100000212216 [1,1,0,0,0,0|2,0,0]=4 8425 B9R0.45 CCSCCOCCSC 34a_100000230434_100000757381 [1,1,0,0,0,0|2,0,0]=4 8426 B9R0.45 CCSCCOCCSC 7a_100000212035_100000212216 [1,1,0,0,0,0|2,0,0]=4 8427 B9R0.45 CCSCCOCCSC 7a_100000230434_100000757381 [1,1,0,0,0,0|2,0,0]=4 8428 B9R0.45 CCSCCSCCCF 62a_100000757381_100011934791 [1,1,0,0,0,0|2,0,0]=4 8429 B9R0.45 CCSCCSCCCF 62a_100011934791_100000757381 [1,1,0,0,0,0|2,0,0]=4 8430 B9R0.45 CCSCCSCCCO 62a_100000757381_100011215043 [1,1,0,0,0,0|2,0,0]=4 8431 B9R0.45 CCSCCSCCCO 62a_100011215043_100000757381 [1,1,0,0,0,0|2,0,0]=4 8432 B9R0.45 CCSCCSCCOC 62a_100000233755_100000757381 [1,1,0,0,0,0|2,0,0]=4 8433 B9R0.45 CCSCCSCCOC 62a_100000757381_100000233755 [1,1,0,0,0,0|2,0,0]=4 8434 B9R0.45 CCSCCSCCSC 62a_100000212216_100000757381 [1,1,0,0,0,0|2,0,0]=4 8435 B9R0.45 CCSCCSCCSC 62a_100000757381_100000751147 [1,1,0,0,0,0|2,0,0]=4 8436 B9R0.45 CNCCCCCCCO 2230a_100011996573_200000210301 [1,1,0,0,0,0|1,0,1]=4 8437 B9R0.45 CNCCCCCCCO 2230a_106832991635_100000760002 [1,1,0,0,0,0|1,0,1]=4 8438 B9R0.45 CNCCCCCCCO 34a_100011996573_200000210301 [1,1,0,0,0,0|1,0,1]=4 8439 B9R0.45 CNCCCCCCCO 34a_100102657272_100000760002 [1,1,0,0,0,0|1,0,1]=4 8440 B9R0.45 CNCCCCCCCO 7a_106832991635_100000760002 [1,1,0,0,0,0|1,0,1]=4 8441 B9R0.45 CNCCCCCCOC 2230a_106832991635_100011998445 [1,1,0,0,0,0|1,0,1]=4 8442 B9R0.45 CNCCCCCCOC 34a_100102657272_100011998445 [1,1,0,0,0,0|1,0,1]=4 8443 B9R0.45 CNCCCCCCOC 7a_106832991635_100011998445 [1,1,0,0,0,0|1,0,1]=4 8444 B9R0.45 CNCCCCCOCF 34a_100000722520_100015361967 [1,1,0,0,0,0|2,0,0]=4 8445 B9R0.45 COCCCCCCCBr 34a_100000760002_200000210301 [1,1,0,0,0,0|1,0,1]=4 8446 B9R0.45 COCCCCCCCBr 7a_100000760002_200000210301 [1,1,0,0,0,0|1,0,1]=4 8447 B9R0.45 COCCCCCCCN 34a_100011996573_200000210301 [1,1,0,0,0,0|1,0,1]=4 8448 B9R0.45 COCCCCCCCO 34a_100138415774_100000760002 [1,1,0,0,0,0|1,0,1]=4 8449 B9R0.45 COCCCCCCOC 34a_100138415774_100011998445 [1,1,0,0,0,0|1,0,1]=4 8450 B9R0.45 COCCCCCCOC 34a_200012092642_200000210301 [1,1,0,0,0,0|1,0,1]=4 8451 B9R0.45 COCCCCCCOC 7a_200012092642_200000210301 [1,1,0,0,0,0|1,0,1]=4 8452 B9R0.45 COCCCCCCO[13CH3] 34a_200012092642_200025704644 [1,1,0,0,0,0|1,0,1]=4 8453 B9R0.45 COCCCCCCO[13CH3] 7a_200012092642_200025704644 [1,1,0,0,0,0|1,0,1]=4 8454 B9R0.45 COCCCCCCSC 62a_100011998445_200000210301 [1,1,0,0,0,0|1,0,1]=4 8455 B9R0.45 COCCCCCCSC 62a_200000210301_100011998445 [1,1,0,0,0,0|1,0,1]=4 8456 B9R0.45 COCCCCCCS[13CH3] 62a_100011998445_200025704644 [1,1,0,0,0,0|1,0,1]=4 8457 B9R0.45 COCCCCCCS[13CH3] 62a_200025704644_100011998445 [1,1,0,0,0,0|1,0,1]=4 8458 B9R0.45 COCCCCCNCF 34a_100000747528_100015361967 [1,1,0,0,0,0|2,0,0]=4 8459 B9R0.45 COCCCCNCCF 34a_100000724931_100000755781 [1,1,0,0,0,0|2,0,0]=4 8460 B9R0.45 COCCCCNCCO 2230a_100016997473_100000730899 [1,1,0,0,0,0|2,0,0]=4 8461 B9R0.45 COCCCCNCCO 34a_100016990907_100000755781 [1,1,0,0,0,0|2,0,0]=4 8462 B9R0.45 COCCCCOCCBr 34a_100000211926_100000755781 [1,1,0,0,0,0|2,0,0]=4 8463 B9R0.45 COCCCCOCCF 34a_100000740925_100011217306 [1,1,0,0,0,0|2,0,0]=4 8464 B9R0.45 COCCCCOCCN 34a_100000210304_100000755781 [1,1,0,0,0,0|2,0,0]=4 8465 B9R0.45 COCCCCOCCO 34a_100000740925_100000211926 [1,1,0,0,0,0|2,0,0]=4 8466 B9R0.45 COCCCCOCSC 34a_100000740925_100011218213 [1,1,0,0,0,0|2,0,0]=4 8467 B9R0.45 COCCCCSCCF 62a_100000730899_100011217306 [1,1,0,0,0,0|2,0,0]=4 8468 B9R0.45 COCCCCSCCF 62a_100011217306_100000730899 [1,1,0,0,0,0|2,0,0]=4 8469 B9R0.45 COCCCCSCCO 62a_100000211926_100000730899 [1,1,0,0,0,0|2,0,0]=4 8470 B9R0.45 COCCCCSCCO 62a_100000730899_100000211926 [1,1,0,0,0,0|2,0,0]=4 8471 B9R0.45 COCCCCSCOC 62a_100000730899_100000766300 [1,1,0,0,0,0|2,0,0]=4 8472 B9R0.45 COCCCCSCOC 62a_100000766300_100000730899 [1,1,0,0,0,0|2,0,0]=4 8473 B9R0.45 COCCCCSCSC 62a_100000730899_100011218213 [1,1,0,0,0,0|2,0,0]=4 8474 B9R0.45 COCCCCSCSC 62a_100011218213_100000730899 [1,1,0,0,0,0|2,0,0]=4 8475 B9R0.45 COCNCCCCCO 2230a_100000762737_100000766300 [1,1,0,0,0,0|2,0,0]=4 8476 B9R0.45 COCSCCCCCF 62a_100000729378_100000766300 [1,1,0,0,0,0|2,0,0]=4 8477 B9R0.45 COCSCCCCCF 62a_100000766300_100000729378 [1,1,0,0,0,0|2,0,0]=4 8478 B9R0.45 COCSCCCCCO 62a_100000746330_100000766300 [1,1,0,0,0,0|2,0,0]=4 8479 B9R0.45 COCSCCCCCO 62a_100000766300_100000746330 [1,1,0,0,0,0|2,0,0]=4 8480 B9R0.45 CSCCCCCCCO 62a_100000760002_200000210301 [1,1,0,0,0,0|1,0,1]=4 8481 B9R0.45 CSCCCCCCCO 62a_200000210301_100000760002 [1,1,0,0,0,0|1,0,1]=4 8482 B9R0.45 CSCCCCOCCF 34a_100011217163_100011217306 [1,1,0,0,0,0|2,0,0]=4 8483 B9R0.45 CSCCCCOCCF 7a_100011217163_100011217306 [1,1,0,0,0,0|2,0,0]=4 8484 B9R0.45 CSCCCCOCCO 34a_100011217163_100000211926 [1,1,0,0,0,0|2,0,0]=4 8485 B9R0.45 CSCCCCOCCO 7a_100011217163_100000211926 [1,1,0,0,0,0|2,0,0]=4 8486 B9R0.45 CSCCCCOCSC 34a_100011217163_100011218213 [1,1,0,0,0,0|2,0,0]=4 8487 B9R0.45 CSCNCCCCCO 2230a_100000762737_100011218213 [1,1,0,0,0,0|2,0,0]=4 8488 B9R0.45 CSCNCCCCCO 34a_100000762737_100011218213 [1,1,0,0,0,0|2,0,0]=4 8489 B9R0.45 CSCOCCCCCBr 34a_100000746331_100011218213 [1,1,0,0,0,0|2,0,0]=4 8490 B9R0.45 CSCOCCCCCCl 34a_100000746330_100011218213 [1,1,0,0,0,0|2,0,0]=4 8491 B9R0.45 CSCOCCCCCI 34a_200012148887_100011218213 [1,1,0,0,0,0|2,0,0]=4 8492 B9R0.45 CSCOCCCCCN 34a_100000762737_100011218213 [1,1,0,0,0,0|2,0,0]=4 8493 B9R0.45 CSCSCCCCCF 62a_100000729378_100011218213 [1,1,0,0,0,0|2,0,0]=4 8494 B9R0.45 CSCSCCCCCF 62a_100011218213_100000729378 [1,1,0,0,0,0|2,0,0]=4 8495 B9R0.45 CSCSCCCCCO 62a_100000746330_100011218213 [1,1,0,0,0,0|2,0,0]=4 8496 B9R0.45 CSCSCCCCCO 62a_100011218213_100000746330 [1,1,0,0,0,0|2,0,0]=4 8497 B9R0.45 FCCCCCCOCF 34a_100000732779_100015361967 [1,1,0,0,0,0|2,0,0]=4 8498 B9R0.45 FCCCCCCOCF 7a_100000732779_100015361967 [1,1,0,0,0,0|2,0,0]=4 8499 B9R0.45 FCCCCCCSCF 62a_100015361967_100015922095 [1,1,0,0,0,0|2,0,0]=4 8500 B9R0.45 FCCCCCCSCF 62a_100015922095_100015361967 [1,1,0,0,0,0|2,0,0]=4 8501 B9R0.45 FCCCCCNCCF 34a_100000724931_100000729378 [1,1,0,0,0,0|2,0,0]=4 8502 B9R0.45 FCCCCCOCCBr 34a_100000211926_100000729378 [1,1,0,0,0,0|2,0,0]=4 8503 B9R0.45 FCCCCCSCCF 62a_100000729378_100011217306 [1,1,0,0,0,0|2,0,0]=4 8504 B9R0.45 FCCCCCSCCF 62a_100011217306_100000729378 [1,1,0,0,0,0|2,0,0]=4 8505 B9R0.45 FCCOCCCCCBr 34a_100000746331_100011217306 [1,1,0,0,0,0|2,0,0]=4 8506 B9R0.45 FCCOCCCCCBr 7a_100000746331_100011217306 [1,1,0,0,0,0|2,0,0]=4 8507 B9R0.45 FCCOCCCCCCl 34a_100000746330_100011217306 [1,1,0,0,0,0|2,0,0]=4 8508 B9R0.45 FCCOCCCCCCl 7a_100000746330_100011217306 [1,1,0,0,0,0|2,0,0]=4 8509 B9R0.45 FCCOCCCCCI 34a_200012148887_100011217306 [1,1,0,0,0,0|2,0,0]=4 8510 B9R0.45 FCCOCCCCCI 7a_200012148887_100011217306 [1,1,0,0,0,0|2,0,0]=4 8511 B9R0.45 FCOCCCCCCBr 34a_100011215345_100015361967 [1,1,0,0,0,0|2,0,0]=4 8512 B9R0.45 FCOCCCCCCBr 7a_100011215345_100015361967 [1,1,0,0,0,0|2,0,0]=4 8513 B9R0.45 FCOCCCCCCCl 34a_100000766143_100015361967 [1,1,0,0,0,0|2,0,0]=4 8514 B9R0.45 FCOCCCCCCCl 7a_100000766143_100015361967 [1,1,0,0,0,0|2,0,0]=4 8515 B9R0.45 NCCCCCCOCF 34a_100000686447_100015361967 [1,1,0,0,0,0|2,0,0]=4 8516 B9R0.45 NCCCCCOCCF 34a_100000762737_100011217306 [1,1,0,0,0,0|2,0,0]=4 8517 B9R0.45 NCCCCCOCCO 34a_100000762737_100000211926 [1,1,0,0,0,0|2,0,0]=4 8518 B9R0.45 NCCOCCCCCF 34a_100000210304_100000729378 [1,1,0,0,0,0|2,0,0]=4 8519 B9R0.45 NCCOCCCCCO 34a_100000210304_100000746330 [1,1,0,0,0,0|2,0,0]=4 8520 B9R0.45 OCCCCCCNCF 34a_100000686447_100015361967 [1,1,0,0,0,0|2,0,0]=4 8521 B9R0.45 OCCCCCCSCF 62a_100000766143_100015361967 [1,1,0,0,0,0|2,0,0]=4 8522 B9R0.45 OCCCCCCSCF 62a_100015361967_100000766143 [1,1,0,0,0,0|2,0,0]=4 8523 B9R0.45 OCCCCCNCCF 2230a_100000762737_100011217306 [1,1,0,0,0,0|2,0,0]=4 8524 B9R0.45 OCCCCCNCCF 34a_100000724931_100000746330 [1,1,0,0,0,0|2,0,0]=4 8525 B9R0.45 OCCCCCNCCF 34a_100000762737_100011217306 [1,1,0,0,0,0|2,0,0]=4 8526 B9R0.45 OCCCCCNCCO 2230a_100000762737_100000211926 [1,1,0,0,0,0|2,0,0]=4 8527 B9R0.45 OCCCCCNCCO 2230a_100016997473_100000746330 [1,1,0,0,0,0|2,0,0]=4 8528 B9R0.45 OCCCCCNCCO 34a_100000762737_100000211926 [1,1,0,0,0,0|2,0,0]=4 8529 B9R0.45 OCCCCCNCCO 34a_100016990907_100000746330 [1,1,0,0,0,0|2,0,0]=4 8530 B9R0.45 OCCCCCOCCBr 34a_100000211926_100000746330 [1,1,0,0,0,0|2,0,0]=4 8531 B9R0.45 OCCCCCSCCF 62a_100000746330_100011217306 [1,1,0,0,0,0|2,0,0]=4 8532 B9R0.45 OCCCCCSCCF 62a_100011217306_100000746330 [1,1,0,0,0,0|2,0,0]=4 8533 B9R0.45 OCCCCCSCCO 62a_100000211926_100000746330 [1,1,0,0,0,0|2,0,0]=4 8534 B9R0.45 OCCCCCSCCO 62a_100000746330_100000211926 [1,1,0,0,0,0|2,0,0]=4 8535 B9R0.45 OCCNCCCCCF 2230a_100016997473_100000729378 [1,1,0,0,0,0|2,0,0]=4 8536 B9R0.45 OCCNCCCCCF 34a_100016990907_100000729378 [1,1,0,0,0,0|2,0,0]=4 8537 B9R0.45 OCCOCCCCCBr 34a_100000746331_100000211926 [1,1,0,0,0,0|2,0,0]=4 8538 B9R0.45 OCCOCCCCCBr 7a_100000746331_100000211926 [1,1,0,0,0,0|2,0,0]=4 8539 B9R0.45 OCCOCCCCCCl 34a_100000746330_100000211926 [1,1,0,0,0,0|2,0,0]=4 8540 B9R0.45 OCCOCCCCCCl 7a_100000746330_100000211926 [1,1,0,0,0,0|2,0,0]=4 8541 B9R0.45 OCCOCCCCCI 34a_200012148887_100000211926 [1,1,0,0,0,0|2,0,0]=4 8542 B9R0.45 OCCOCCCCCI 7a_200012148887_100000211926 [1,1,0,0,0,0|2,0,0]=4 8543 B9R0.45 OCCSCCCCCF 62a_100000211926_100000729378 [1,1,0,0,0,0|2,0,0]=4 8544 B9R0.45 OCCSCCCCCF 62a_100000729378_100000211926 [1,1,0,0,0,0|2,0,0]=4 8545 B9R0.45 [13CH3]NCCCCCCCO 2230a_100011996573_200025704644 [1,1,0,0,0,0|1,0,1]=4 8546 B9R0.45 [13CH3]NCCCCCCCO 34a_100011996573_200025704644 [1,1,0,0,0,0|1,0,1]=4 8547 B9R0.45 [13CH3]OCCCCCCCBr 34a_100000760002_200025704644 [1,1,0,0,0,0|1,0,1]=4 8548 B9R0.45 [13CH3]OCCCCCCCBr 7a_100000760002_200025704644 [1,1,0,0,0,0|1,0,1]=4 8549 B9R0.45 [13CH3]OCCCCCCCN 34a_100011996573_200025704644 [1,1,0,0,0,0|1,0,1]=4 8550 B9R0.45 [13CH3]SCCCCCCCO 62a_100000760002_200025704644 [1,1,0,0,0,0|1,0,1]=4 8551 B9R0.45 [13CH3]SCCCCCCCO 62a_200025704644_100000760002 [1,1,0,0,0,0|1,0,1]=4 8552 B9R0.1 C#CC(=O)CCCC(C)C 1458a_100000211873_100011214892 [1,1,0,0,0,0|0,0,2]=4 8553 B9R0.1 C#CC(=O)CCCC(C)O 1458a_100000211873_200000718107 [1,1,0,0,0,0|0,0,2]=4 8554 B9R0.1 C=C(C)COCC(=O)CC 34a_100000725409_100000748629 [1,1,0,0,0,0|1,0,1]=4 8555 B9R0.1 C=C(C)CSCC(=O)CC 62a_100000747405_100000211660 [1,1,0,0,0,0|1,0,1]=4 8556 B9R0.1 C=C(C)CSCC(=O)CC 62a_100000748629_100000747405 [1,1,0,0,0,0|1,0,1]=4 8557 B9R0.1 C=CC(=O)CCCC(C)C 1458a_100000185746_100011214892 [1,1,0,0,0,0|0,0,2]=4 8558 B9R0.1 C=CC(=O)CCCC(C)O 1458a_100000185746_200000718107 [1,1,0,0,0,0|0,0,2]=4 8559 B9R0.1 CC(=O)CCCC(=O)CO 1458a_100000210174_100011215641 [1,1,0,0,0,0|1,0,1]=4 8560 B9R0.1 CC(C)CCCC(=O)CF 1458a_100011216857_100015361967 [1,1,0,0,0,0|1,0,0]=3 8561 B9R0.1 CC(C)CCCC(=O)CO 1458a_100000210174_100011214892 [1,1,0,0,0,0|1,0,0]=3 8562 B9R0.1 CC(C)CCNC(=O)CO 240690a_100000210545_100000210174 [1,1,0,0,0,0|2,0,0]=4 8563 B9R0.1 CC(C)CCNC(=O)CO 527a_100000210545_100000210174 [1,1,0,0,0,0|2,0,0]=4 8564 B9R0.1 CC(C)COCC(=O)CF 1458a_100011223364_100015361967 [1,1,0,0,0,0|2,0,0]=4 8565 B9R0.1 CC(C)OCCC(=O)CO 1458a_100000210174_100000211751 [1,1,0,0,0,0|2,0,0]=4 8566 B9R0.1 CC(C)SCCC(=O)CO 1458a_100000210174_100000730970 [1,1,0,0,0,0|2,0,0]=4 8567 B9R0.1 CC(O)CCCC(=O)CO 1458a_100000210174_200000718107 [1,1,0,0,0,0|1,0,0]=3 8568 B9R0.1 CC(O)CCNC(=O)CO 240690a_200000755665_100000210174 [1,1,0,0,0,0|2,0,0]=4 8569 B9R0.1 CC(O)CCNC(=O)CO 527a_200000755665_100000210174 [1,1,0,0,0,0|2,0,0]=4 8570 B9R0.1 CCC(=O)C/C=C/C(C)C 1458a_100016292215_100000210202 [1,1,0,0,0,0|0,0,2]=4 8571 B9R0.1 CCC(=O)CCC=C(C)C 1458a_100000210414_100011217483 [1,1,0,0,0,0|0,0,2]=4 8572 B9R0.1 CCC(=O)CCCC(=O)C 1458a_100000210414_100011215641 [1,1,0,0,0,0|0,0,1]=3 8573 B9R0.1 CCC(=O)CCCC(=O)N 1458a_100000210414_100102525003 [1,1,0,0,0,0|1,0,1]=4 8574 B9R0.1 CCC(=O)CCCC(C)C 1458a_100000210414_100011214892 [1,1,0,0,0,0|0,0,0]=2 8575 B9R0.1 CCC(=O)CCCC(C)C 1458a_100011216857_100000210202 [1,1,0,0,0,0|0,0,0]=2 8576 B9R0.1 CCC(=O)CCCC(C)O 1458a_100000210414_200000718107 [1,1,0,0,0,0|0,0,0]=2 8577 B9R0.1 CCC(=O)CCCN(C)C 1458a_100000210414_100000695564 [1,1,0,0,0,0|1,0,0]=3 8578 B9R0.1 CCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210202 [1,1,0,0,0,0|2,0,0]=4 8579 B9R0.1 CCC(=O)CCNC(=O)C 1458a_100000183196_100000210202 [1,1,0,0,0,0|1,0,1]=4 8580 B9R0.1 CCC(=O)CCNC(=O)C 1458a_100000210414_100000189650 [1,1,0,0,0,0|1,0,1]=4 8581 B9R0.1 CCC(=O)CCOC(=O)C 1458a_100000210414_100009814007 [1,1,0,0,0,0|1,0,1]=4 8582 B9R0.1 CCC(=O)CCOC(C)C 1458a_100000210414_100000211751 [1,1,0,0,0,0|1,0,0]=3 8583 B9R0.1 CCC(=O)CCSC(=O)C 1458a_100000048949_100000210202 [1,1,0,0,0,0|1,0,1]=4 8584 B9R0.1 CCC(=O)CCSC(C)C 1458a_100000210414_100000730970 [1,1,0,0,0,0|1,0,0]=3 8585 B9R0.1 CCC(=O)COCC(C)C 1458a_100011223364_100000210202 [1,1,0,0,0,0|1,0,0]=3 8586 B9R0.1 CCC(=O)COCC(C)C 34a_100000725409_100000210624 [1,1,0,0,0,0|1,0,0]=3 8587 B9R0.1 CCC(=O)COCC(C)O 34a_100000725409_100011218427 [1,1,0,0,0,0|1,0,0]=3 8588 B9R0.1 CCC(=O)COCC(F)F 34a_100000725409_100011934356 [1,1,0,0,0,0|2,0,0]=4 8589 B9R0.1 CCC(=O)COC[C@@H](C)O 34a_100000725409_100009817552 [1,1,0,0,0,0|1,0,0]=3 8590 B9R0.1 CCC(=O)CSCC(C)C 62a_100000210624_100000747405 [1,1,0,0,0,0|1,0,0]=3 8591 B9R0.1 CCC(=O)CSCC(C)C 62a_100000747405_100000210760 [1,1,0,0,0,0|1,0,0]=3 8592 B9R0.1 CCC(=O)CSCC(C)O 62a_100000747405_100011218427 [1,1,0,0,0,0|1,0,0]=3 8593 B9R0.1 CCC(=O)CSCC(C)O 62a_100011218427_100000747405 [1,1,0,0,0,0|1,0,0]=3 8594 B9R0.1 CCC(=O)CSCC(F)F 62a_100000747405_100011934356 [1,1,0,0,0,0|2,0,0]=4 8595 B9R0.1 CCC(=O)CSCC(F)F 62a_100011934356_100000747405 [1,1,0,0,0,0|2,0,0]=4 8596 B9R0.1 CCC(=O)CSC[C@@H](C)O 62a_100000747405_100009817552 [1,1,0,0,0,0|1,0,0]=3 8597 B9R0.1 CCC(=O)CSC[C@@H](C)O 62a_100009817552_100000747405 [1,1,0,0,0,0|1,0,0]=3 8598 B9R0.1 CCC(=O)NCCC(C)C 11a_100000210545_100000210414 [1,1,0,0,0,0|1,0,0]=3 8599 B9R0.1 CCC(=O)NCCC(C)C 1626a_100000210545_100000210414 [1,1,0,0,0,0|1,0,0]=3 8600 B9R0.1 CCC(=O)NCCC(C)C 240690a_100000210545_100000210414 [1,1,0,0,0,0|1,0,0]=3 8601 B9R0.1 CCC(=O)NCCC(C)C 527a_100000210545_100000210414 [1,1,0,0,0,0|1,0,0]=3 8602 B9R0.1 CCC(=O)NCCC(C)O 240690a_200000755665_100000210414 [1,1,0,0,0,0|1,0,0]=3 8603 B9R0.1 CCC(=O)NCCC(C)O 527a_200000755665_100000210414 [1,1,0,0,0,0|1,0,0]=3 8604 B9R0.1 CCC(=O)NCCN(C)C 240690a_100000210585_100000210414 [1,1,0,0,0,0|2,0,0]=4 8605 B9R0.1 CCC(=O)NCCN(C)C 527a_100000210585_100000210414 [1,1,0,0,0,0|2,0,0]=4 8606 B9R0.1 CCC(=O)NNCC(C)C 22a_100000696102_100000210414 [1,1,0,0,0,0|2,0,0]=4 8607 B9R0.1 CCC(=O)NNCC(C)O 22a_200000730056_100000210414 [1,1,0,0,0,0|2,0,0]=4 8608 B9R0.1 CCN(C)CCCC(C)C 2230a_100000225621_100011214892 [1,1,0,0,0,0|2,0,0]=4 8609 B9R0.1 CCN(C)CCCC(C)C 269982a_100000225621_100011214892 [1,1,0,0,0,0|2,0,0]=4 8610 B9R0.1 CCN(C)CCCC(C)O 2230a_100000225621_200000718107 [1,1,0,0,0,0|2,0,0]=4 8611 B9R0.1 CCN(C)CCCC(C)O 269982a_100000225621_200000718107 [1,1,0,0,0,0|2,0,0]=4 8612 B9R0.1 CN(C)CCCC(=O)CO 1458a_100000210174_100000695564 [1,1,0,0,0,0|2,0,0]=4 8613 B9R0.1 CNC(=O)CCCC(=O)C 1458a_100000070787_100000741757 [1,1,0,0,0,0|1,0,1]=4 8614 B9R0.1 CNC(=O)CCCC(C)C 11a_106832991635_100011216857 [1,1,0,0,0,0|1,0,0]=3 8615 B9R0.1 CNC(=O)CCCC(C)C 1626a_100102657272_100011216857 [1,1,0,0,0,0|1,0,0]=3 8616 B9R0.1 CNC(=O)CCCC(C)C 240690a_100102657272_100011216857 [1,1,0,0,0,0|1,0,0]=3 8617 B9R0.1 CNC(=O)CCCC(C)C 527a_100102657272_100011216857 [1,1,0,0,0,0|1,0,0]=3 8618 B9R0.1 CNC(=O)CCCC(C)O 1626a_100102657272_100000761597 [1,1,0,0,0,0|1,0,0]=3 8619 B9R0.1 CNC(=O)CCCC(C)O 527a_100102657272_100000761597 [1,1,0,0,0,0|1,0,0]=3 8620 B9R0.1 CNC(=O)CCCN(C)C 11a_106832991635_100000740757 [1,1,0,0,0,0|2,0,0]=4 8621 B9R0.1 CNC(=O)CCCN(C)C 2230a_100102631434_100000741757 [1,1,0,0,0,0|2,0,0]=4 8622 B9R0.1 CNC(=O)CCCN(C)C 240690a_100102657272_100000740757 [1,1,0,0,0,0|2,0,0]=4 8623 B9R0.1 CNC(=O)CCCN(C)C 269982a_100102631434_100000741757 [1,1,0,0,0,0|2,0,0]=4 8624 B9R0.1 CNC(=O)CCNC(C)C 2230a_100000738227_100000210206 [1,1,0,0,0,0|2,0,0]=4 8625 B9R0.1 CNC(=O)CCNC(C)C 2230a_100138425928_100000737683 [1,1,0,0,0,0|2,0,0]=4 8626 B9R0.1 CNC(=O)CCNC(C)C 34a_100000738227_100000210206 [1,1,0,0,0,0|2,0,0]=4 8627 B9R0.1 CNC(=O)CCNC(C)C 34a_100138425928_100012179268 [1,1,0,0,0,0|2,0,0]=4 8628 B9R0.1 CNC(=O)CCOC(C)C 34a_100000212225_100012179268 [1,1,0,0,0,0|2,0,0]=4 8629 B9R0.1 CNC(=O)CCOC(C)C 34a_100000754576_100000210206 [1,1,0,0,0,0|2,0,0]=4 8630 B9R0.1 CNC(=O)CCSC(C)C 62a_100000210206_100000737683 [1,1,0,0,0,0|2,0,0]=4 8631 B9R0.1 CNC(=O)CCSC(C)C 62a_100000737683_100000210206 [1,1,0,0,0,0|2,0,0]=4 8632 B9R0.1 CNC(=O)CNCC(C)C 2230a_100000210953_100000183359 [1,1,0,0,0,0|2,0,0]=4 8633 B9R0.1 CNC(=O)CNCC(C)C 2230a_100000693194_100000210760 [1,1,0,0,0,0|2,0,0]=4 8634 B9R0.1 CNC(=O)CNCC(C)C 270004a_100000693194_100000210432 [1,1,0,0,0,0|2,0,0]=4 8635 B9R0.1 CNC(=O)CNCC(C)C 34a_100000210953_100000183359 [1,1,0,0,0,0|2,0,0]=4 8636 B9R0.1 CNC(=O)CNCC(C)O 2230a_100000210904_100000183359 [1,1,0,0,0,0|2,0,0]=4 8637 B9R0.1 CNC(=O)CNCC(C)O 2230a_100000693194_100011218427 [1,1,0,0,0,0|2,0,0]=4 8638 B9R0.1 CNC(=O)CNCC(C)O 34a_100000210904_100000183359 [1,1,0,0,0,0|2,0,0]=4 8639 B9R0.1 CNC(=O)CNC[C@@H](C)O 2230a_100000693194_100009817552 [1,1,0,0,0,0|2,0,0]=4 8640 B9R0.1 CNC(=O)COCC(C)Br 34a_100012180447_100000183359 [1,1,0,0,0,0|2,0,0]=4 8641 B9R0.1 CNC(=O)COCC(C)C 11a_106832991635_100011223364 [1,1,0,0,0,0|2,0,0]=4 8642 B9R0.1 CNC(=O)COCC(C)C 1626a_100102657272_100011223364 [1,1,0,0,0,0|2,0,0]=4 8643 B9R0.1 CNC(=O)COCC(C)C 240690a_100102657272_100011223364 [1,1,0,0,0,0|2,0,0]=4 8644 B9R0.1 CNC(=O)COCC(C)C 34a_100000210257_100000183359 [1,1,0,0,0,0|2,0,0]=4 8645 B9R0.1 CNC(=O)COCC(C)C 34a_100000750040_100000210624 [1,1,0,0,0,0|2,0,0]=4 8646 B9R0.1 CNC(=O)COCC(C)C 527a_100102657272_100011223364 [1,1,0,0,0,0|2,0,0]=4 8647 B9R0.1 CNC(=O)COCC(C)F 34a_100015925927_100000183359 [1,1,0,0,0,0|2,0,0]=4 8648 B9R0.1 CNC(=O)COCC(C)O 34a_100000750040_100011218427 [1,1,0,0,0,0|2,0,0]=4 8649 B9R0.1 CNC(=O)COC[C@@H](C)Cl 34a_100016084084_100000183359 [1,1,0,0,0,0|2,0,0]=4 8650 B9R0.1 CNC(=O)COC[C@@H](C)N 34a_100000737577_100000183359 [1,1,0,0,0,0|2,0,0]=4 8651 B9R0.1 CNC(=O)COC[C@@H](C)O 34a_100000750040_100009817552 [1,1,0,0,0,0|2,0,0]=4 8652 B9R0.1 CNC(=O)CSCC(C)C 62a_100000183359_100000210760 [1,1,0,0,0,0|2,0,0]=4 8653 B9R0.1 CNC(=O)CSCC(C)C 62a_100000210624_100000183359 [1,1,0,0,0,0|2,0,0]=4 8654 B9R0.1 CNC(=O)CSCC(C)O 62a_100000183359_100011218427 [1,1,0,0,0,0|2,0,0]=4 8655 B9R0.1 CNC(=O)CSCC(C)O 62a_100011218427_100000183359 [1,1,0,0,0,0|2,0,0]=4 8656 B9R0.1 CNC(=O)CSC[C@@H](C)O 62a_100000183359_100009817552 [1,1,0,0,0,0|2,0,0]=4 8657 B9R0.1 CNC(=O)CSC[C@@H](C)O 62a_100009817552_100000183359 [1,1,0,0,0,0|2,0,0]=4 8658 B9R0.1 CNC(=O)NCCC(C)C 2708a_100000210545_106832991635 [1,1,0,0,0,0|2,0,0]=4 8659 B9R0.1 CNC(=O)NCCC(C)C 2708a_100102657272_100000210545 [1,1,0,0,0,0|2,0,0]=4 8660 B9R0.1 CNC(=O)NCCC(C)C 273464a_100000210545_100102657272 [1,1,0,0,0,0|2,0,0]=4 8661 B9R0.1 CNC(=O)NCCC(C)C 273464a_100102657272_100000210545 [1,1,0,0,0,0|2,0,0]=4 8662 B9R0.1 CNC(=O)NCCC(C)C 512a_100000210545_100102657272 [1,1,0,0,0,0|2,0,0]=4 8663 B9R0.1 CNC(=O)NCCC(C)C 512a_106832991638_100000210545 [1,1,0,0,0,0|2,0,0]=4 8664 B9R0.1 CNC(=O)NCCC(C)O 2708a_100102657272_200000755665 [1,1,0,0,0,0|2,0,0]=4 8665 B9R0.1 CNC(=O)NCCC(C)O 273464a_200000755665_100102657272 [1,1,0,0,0,0|2,0,0]=4 8666 B9R0.1 CNC(=O)NCCC(C)O 512a_106832991638_200000755665 [1,1,0,0,0,0|2,0,0]=4 8667 B9R0.1 CNC(=O)NCCC(C)O 512a_200000755665_100102657272 [1,1,0,0,0,0|2,0,0]=4 8668 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000070787_100011218270 [1,1,0,0,0,0|1,0,1]=4 8669 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000239890_200000210301 [1,1,0,0,0,0|1,0,1]=4 8670 B9R0.1 COC(=O)CCCC(=O)[13CH3] 1458a_100000239890_200025704644 [1,1,0,0,0,0|1,0,1]=4 8671 B9R0.1 COC(=O)CCCN(C)C 2230a_100102631434_100011218270 [1,1,0,0,0,0|2,0,0]=4 8672 B9R0.1 COC(=O)CCCN(C)C 269982a_100000739225_200000210301 [1,1,0,0,0,0|2,0,0]=4 8673 B9R0.1 COC(=O)CCCN(C)C 269982a_100102631434_100011218270 [1,1,0,0,0,0|2,0,0]=4 8674 B9R0.1 COC(=O)CCCN(C)[13CH3] 269982a_100000739225_200025704644 [1,1,0,0,0,0|2,0,0]=4 8675 B9R0.1 COC(=O)CCNC(C)C 2230a_100138425928_100000204255 [1,1,0,0,0,0|2,0,0]=4 8676 B9R0.1 COC(=O)CCNC(C)C 34a_100138425928_100000742370 [1,1,0,0,0,0|2,0,0]=4 8677 B9R0.1 COC(=O)CCOC(C)C 34a_100000212225_100000742370 [1,1,0,0,0,0|2,0,0]=4 8678 B9R0.1 COC(=O)CCSC(C)C 62a_100000204255_100000210206 [1,1,0,0,0,0|2,0,0]=4 8679 B9R0.1 COC(=O)CCSC(C)C 62a_100000210206_100000204255 [1,1,0,0,0,0|2,0,0]=4 8680 B9R0.1 COC(=O)CNCC(C)C 2230a_100000210953_100000747449 [1,1,0,0,0,0|2,0,0]=4 8681 B9R0.1 COC(=O)CNCC(C)C 34a_100000210953_100000747449 [1,1,0,0,0,0|2,0,0]=4 8682 B9R0.1 COC(=O)CNCC(C)O 2230a_100000210904_100000747449 [1,1,0,0,0,0|2,0,0]=4 8683 B9R0.1 COC(=O)CNCC(C)O 34a_100000210904_100000747449 [1,1,0,0,0,0|2,0,0]=4 8684 B9R0.1 COC(=O)COCC(C)Br 34a_100012180447_100000747449 [1,1,0,0,0,0|2,0,0]=4 8685 B9R0.1 COC(=O)COCC(C)C 34a_100000210257_100000747449 [1,1,0,0,0,0|2,0,0]=4 8686 B9R0.1 COC(=O)COCC(C)F 34a_100015925927_100000747449 [1,1,0,0,0,0|2,0,0]=4 8687 B9R0.1 COC(=O)COC[C@@H](C)Cl 34a_100016084084_100000747449 [1,1,0,0,0,0|2,0,0]=4 8688 B9R0.1 COC(=O)COC[C@@H](C)N 34a_100000737577_100000747449 [1,1,0,0,0,0|2,0,0]=4 8689 B9R0.1 COC(=O)CSCC(C)C 62a_100000210624_100000747449 [1,1,0,0,0,0|2,0,0]=4 8690 B9R0.1 COC(=O)CSCC(C)C 62a_100000747449_100000210760 [1,1,0,0,0,0|2,0,0]=4 8691 B9R0.1 COC(=O)CSCC(C)O 62a_100000747449_100011218427 [1,1,0,0,0,0|2,0,0]=4 8692 B9R0.1 COC(=O)CSCC(C)O 62a_100011218427_100000747449 [1,1,0,0,0,0|2,0,0]=4 8693 B9R0.1 COC(=O)CSC[C@@H](C)O 62a_100000747449_100009817552 [1,1,0,0,0,0|2,0,0]=4 8694 B9R0.1 COC(=O)CSC[C@@H](C)O 62a_100009817552_100000747449 [1,1,0,0,0,0|2,0,0]=4 8695 B9R0.8 C#CC(=O)C(C)CCCC 1458a_100000211873_200011215066 [1,1,0,0,0,0|0,0,2]=4 8696 B9R0.8 C=CC(=O)C(C)CCCC 1458a_100000185746_200011215066 [1,1,0,0,0,0|0,0,2]=4 8697 B9R0.8 CCC(=O)C(C)NCCO 2230a_100016997473_100000742827 [1,1,0,0,0,0|2,0,0]=4 8698 B9R0.8 CCC(=O)C(C)SCCF 62a_100000742827_100011217306 [1,1,0,0,0,0|2,0,0]=4 8699 B9R0.8 CCC(=O)C(C)SCCF 62a_100011217306_100000742827 [1,1,0,0,0,0|2,0,0]=4 8700 B9R0.8 CCC(=O)C(C)SCCO 62a_100000211926_100000742827 [1,1,0,0,0,0|2,0,0]=4 8701 B9R0.8 CCC(=O)C(C)SCCO 62a_100000742827_100000211926 [1,1,0,0,0,0|2,0,0]=4 8702 B9R0.8 CCC(=O)C(C)SCOC 62a_100000742827_100000766300 [1,1,0,0,0,0|2,0,0]=4 8703 B9R0.8 CCC(=O)C(C)SCOC 62a_100000766300_100000742827 [1,1,0,0,0,0|2,0,0]=4 8704 B9R0.8 CCC(=O)C(C)SCSC 62a_100000742827_100011218213 [1,1,0,0,0,0|2,0,0]=4 8705 B9R0.8 CCC(=O)C(C)SCSC 62a_100011218213_100000742827 [1,1,0,0,0,0|2,0,0]=4 8706 B9R0.8 CCC(=O)C(O)CCSC 1458a_100000685904_100000210202 [1,1,0,0,0,0|1,0,0]=3 8707 B9R0.8 CCC(=O)N(C)CCCO 240690a_100000213112_100000210414 [1,1,0,0,0,0|2,0,0]=4 8708 B9R0.8 CCC(=O)N(C)CCCO 527a_100000213112_100000210414 [1,1,0,0,0,0|2,0,0]=4 8709 B9R0.8 CCC(=O)N(C)CCOC 11a_100000743101_100000210414 [1,1,0,0,0,0|2,0,0]=4 8710 B9R0.8 CCC(=O)N(C)CCOC 1626a_100000743101_100000210414 [1,1,0,0,0,0|2,0,0]=4 8711 B9R0.8 CCC(=O)N(C)CCOC 240690a_100000743101_100000210414 [1,1,0,0,0,0|2,0,0]=4 8712 B9R0.8 CCC(=O)N(C)CCOC 527a_100000743101_100000210414 [1,1,0,0,0,0|2,0,0]=4 8713 B9R0.8 CCC(=O)N(C)CCSC 11a_100000686725_100000210414 [1,1,0,0,0,0|2,0,0]=4 8714 B9R0.8 CCC(=O)N(C)CCSC 1626a_100000686725_100000210414 [1,1,0,0,0,0|2,0,0]=4 8715 B9R0.8 CCC(=O)N(C)CCSC 240690a_100000686725_100000210414 [1,1,0,0,0,0|2,0,0]=4 8716 B9R0.8 CCC(=O)N(C)CCSC 527a_100000686725_100000210414 [1,1,0,0,0,0|2,0,0]=4 8717 B9R0.8 CCC/C=C(\C)/C(=O)CC 1458a_200020648666_100000210202 [1,1,0,0,0,0|0,0,2]=4 8718 B9R0.8 CCCCC(=O)C(=O)NC 1458a_100011218921_100000210211 [1,1,0,0,0,0|1,0,1]=4 8719 B9R0.8 CCCCC(C)C(=O)CC 1458a_100000210414_200011215066 [1,1,0,0,0,0|0,0,0]=2 8720 B9R0.8 CCCCC(C)C(=O)CC 1458a_100000725509_100000210202 [1,1,0,0,0,0|0,0,0]=2 8721 B9R0.8 CCCCC(C)C(=O)CF 1458a_100000725509_100015361967 [1,1,0,0,0,0|1,0,0]=3 8722 B9R0.8 CCCCC(C)C(=O)CO 1458a_100000210174_200011215066 [1,1,0,0,0,0|1,0,0]=3 8723 B9R0.8 CCCCC(C)C(=O)NC 11a_106832991635_100000725509 [1,1,0,0,0,0|1,0,0]=3 8724 B9R0.8 CCCCC(C)C(=O)NC 1626a_100102657272_100000725509 [1,1,0,0,0,0|1,0,0]=3 8725 B9R0.8 CCCCC(C)C(=O)NC 240690a_100102657272_100000725509 [1,1,0,0,0,0|1,0,0]=3 8726 B9R0.8 CCCCC(C)C(=O)NC 527a_100102657272_100000725509 [1,1,0,0,0,0|1,0,0]=3 8727 B9R0.8 CCCCC(C)N(C)CC 2230a_100000225621_200011215066 [1,1,0,0,0,0|2,0,0]=4 8728 B9R0.8 CCCCC(C)N(C)CC 269982a_100000225621_200011215066 [1,1,0,0,0,0|2,0,0]=4 8729 B9R0.8 CCCCC(O)C(=O)CC 1458a_100000720857_100000210202 [1,1,0,0,0,0|0,0,0]=2 8730 B9R0.8 CCCCC(O)C(=O)CF 1458a_100000720857_100015361967 [1,1,0,0,0,0|1,0,0]=3 8731 B9R0.8 CCCCC(O)C(=O)NC 240690a_100102657272_100000720857 [1,1,0,0,0,0|1,0,0]=3 8732 B9R0.8 CCCCC(O)C(=O)NC 527a_100102657272_100000720857 [1,1,0,0,0,0|1,0,0]=3 8733 B9R0.8 CCCCN(C)C(=O)CC 11a_100000207549_100000210414 [1,1,0,0,0,0|1,0,0]=3 8734 B9R0.8 CCCCN(C)C(=O)CC 1626a_100000207549_100000210414 [1,1,0,0,0,0|1,0,0]=3 8735 B9R0.8 CCCCN(C)C(=O)CC 240690a_100000207549_100000210414 [1,1,0,0,0,0|1,0,0]=3 8736 B9R0.8 CCCCN(C)C(=O)CC 527a_100000207549_100000210414 [1,1,0,0,0,0|1,0,0]=3 8737 B9R0.8 CCCCN(C)C(=O)CO 240690a_100000207549_100000210174 [1,1,0,0,0,0|2,0,0]=4 8738 B9R0.8 CCCCN(C)C(=O)CO 527a_100000207549_100000210174 [1,1,0,0,0,0|2,0,0]=4 8739 B9R0.8 CCCCN(C)C(=O)NC 2708a_100102657272_100000207549 [1,1,0,0,0,0|2,0,0]=4 8740 B9R0.8 CCCCN(C)C(=O)NC 273464a_100102657272_100000207549 [1,1,0,0,0,0|2,0,0]=4 8741 B9R0.8 CCCNC(=O)C(=O)CC 1458a_200011297150_100000210202 [1,1,0,0,0,0|1,0,1]=4 8742 B9R0.8 CCCN[C@H](C)C(=O)NC 2230a_100000684985_100000210303 [1,1,0,0,0,0|2,0,0]=4 8743 B9R0.8 CCCN[C@H](C)C(=O)NC 34a_100000684985_100000210303 [1,1,0,0,0,0|2,0,0]=4 8744 B9R0.8 CCCOC(C)C(=O)NC 34a_100000210258_100000731044 [1,1,0,0,0,0|2,0,0]=4 8745 B9R0.8 CCCOC(C)C(=O)OC 34a_100000210258_100000211248 [1,1,0,0,0,0|2,0,0]=4 8746 B9R0.8 CCCOC(C)C(=O)OC 34a_100011215400_100000210303 [1,1,0,0,0,0|2,0,0]=4 8747 B9R0.8 CCCOC(F)C(=O)NC 34a_100000210258_100009813575 [1,1,0,0,0,0|2,0,0]=4 8748 B9R0.8 CCCSC(C)C(=O)CC 62a_100000210303_100000742827 [1,1,0,0,0,0|1,0,0]=3 8749 B9R0.8 CCCSC(C)C(=O)CC 62a_100000742827_100000210303 [1,1,0,0,0,0|1,0,0]=3 8750 B9R0.8 CCCSC(C)C(=O)NC 62a_100000209862_100000210303 [1,1,0,0,0,0|2,0,0]=4 8751 B9R0.8 CCCSC(C)C(=O)NC 62a_100000210303_100000731044 [1,1,0,0,0,0|2,0,0]=4 8752 B9R0.8 CCCSC(C)C(=O)OC 62a_100000210303_100000211248 [1,1,0,0,0,0|2,0,0]=4 8753 B9R0.8 CCCSC(C)C(=O)OC 62a_100000211248_100000210303 [1,1,0,0,0,0|2,0,0]=4 8754 B9R0.8 CCCSC(F)C(=O)NC 62a_100000210303_100009813575 [1,1,0,0,0,0|2,0,0]=4 8755 B9R0.8 CCCSC(F)C(=O)NC 62a_100009813575_100000210303 [1,1,0,0,0,0|2,0,0]=4 8756 B9R0.8 CCNCC(C)C(=O)NC 2230a_100015187722_100000210202 [1,1,0,0,0,0|2,0,0]=4 8757 B9R0.8 CCNCC(C)C(=O)NC 34a_100015187722_100000210202 [1,1,0,0,0,0|2,0,0]=4 8758 B9R0.8 CCOCC(C)C(=O)OC 34a_100000749362_100000210202 [1,1,0,0,0,0|2,0,0]=4 8759 B9R0.8 CCOCC(C)C(=O)OC 34a_100121572206_100000698445 [1,1,0,0,0,0|2,0,0]=4 8760 B9R0.8 CCOCC(C)C(=O)OC 7a_100000749362_100000210202 [1,1,0,0,0,0|2,0,0]=4 8761 B9R0.8 CCOCC(F)C(=O)OC 34a_200009849844_100000210202 [1,1,0,0,0,0|2,0,0]=4 8762 B9R0.8 CCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210202 [1,1,0,0,0,0|2,0,0]=4 8763 B9R0.8 CCSCC(C)C(=O)OC 62a_100000210202_100000698445 [1,1,0,0,0,0|2,0,0]=4 8764 B9R0.8 CCSCC(C)C(=O)OC 62a_100000698445_100000210202 [1,1,0,0,0,0|2,0,0]=4 8765 B9R0.8 CNC(=O)C(O)CCSC 240690a_100102657272_100000685904 [1,1,0,0,0,0|2,0,0]=4 8766 B9R0.8 CNCCC(C)C(=O)OC 2230a_106832991635_100000034942 [1,1,0,0,0,0|2,0,0]=4 8767 B9R0.8 CNCCC(C)C(=O)OC 34a_100102657272_100000034942 [1,1,0,0,0,0|2,0,0]=4 8768 B9R0.8 CNCCC(C)C(=O)OC 7a_106832991635_100000034942 [1,1,0,0,0,0|2,0,0]=4 8769 B9R0.8 COC(=O)C(C)CCSC 62a_100000034942_200000210301 [1,1,0,0,0,0|2,0,0]=4 8770 B9R0.8 COC(=O)C(C)CCSC 62a_200000210301_100000034942 [1,1,0,0,0,0|2,0,0]=4 8771 B9R0.8 COC(=O)C(C)CCS[13CH3] 62a_100000034942_200025704644 [1,1,0,0,0,0|2,0,0]=4 8772 B9R0.8 COC(=O)C(C)CCS[13CH3] 62a_200025704644_100000034942 [1,1,0,0,0,0|2,0,0]=4 8773 B9R0.8 COCCC(C)C(=O)OC 34a_100138415774_100000034942 [1,1,0,0,0,0|2,0,0]=4 8774 B9R0.8 CSCCC(O)C(=O)CF 1458a_100000685904_100015361967 [1,1,0,0,0,0|2,0,0]=4 8775 B9R0.20 CCCCCS(=O)(=O)NC 270084a_100102657272_100000753860 [1,1,0,0,0,0|2,0,0]=4 8776 B9R0.20 CCCCCS(=O)(=O)NC 274078a_100102657272_100000753860 [1,1,0,0,0,0|2,0,0]=4 8777 B9R0.20 CCCCNS(=O)(=O)CC 270084a_100000102301_100000211323 [1,1,0,0,0,0|2,0,0]=4 8778 B9R0.20 CCCCNS(=O)(=O)CC 274078a_100000102301_100000211323 [1,1,0,0,0,0|2,0,0]=4 8779 B9R0.20 CCCCNS(=O)(=O)CC 40a_100000102301_100000053943 [1,1,0,0,0,0|2,0,0]=4 8780 B9R0.20 CCNCCS(=O)(=O)CC 2230a_100000751051_100000210202 [1,1,0,0,0,0|2,0,0]=4 8781 B9R0.20 CCNCCS(=O)(=O)CC 2230a_100015525214_100000756660 [1,1,0,0,0,0|2,0,0]=4 8782 B9R0.20 CCNCCS(=O)(=O)CC 34a_100000751051_100000210202 [1,1,0,0,0,0|2,0,0]=4 8783 B9R0.20 CCOCCS(=O)(=O)CC 34a_100121572206_100000756660 [1,1,0,0,0,0|2,0,0]=4 8784 B9R0.20 CCOCCS(=O)(=O)CC 34a_200011216379_100000210202 [1,1,0,0,0,0|2,0,0]=4 8785 B9R0.20 CCOCCS(=O)(=O)CC 7a_200011216379_100000210202 [1,1,0,0,0,0|2,0,0]=4 8786 B9R0.20 CCSCCS(=O)(=O)CC 62a_100000210202_100000756660 [1,1,0,0,0,0|2,0,0]=4 8787 B9R0.20 CCSCCS(=O)(=O)CC 62a_100000756660_100000210202 [1,1,0,0,0,0|2,0,0]=4 8788 B9R0.24 CCC(=O)CCC(=O)NC 1458a_100011309844_100000210202 [1,1,0,0,0,0|1,0,1]=4 8789 B9R0.24 CCC(=O)CCC(=O)OC 1458a_100000187943_100000210202 [1,1,0,0,0,0|1,0,1]=4 8790 B9R0.24 CCC(=O)CCC(C)CC 1458a_100000701222_100000210202 [1,1,0,0,0,0|0,0,0]=2 8791 B9R0.24 CCC(=O)CCN(C)CC 1458a_100000755305_100000210202 [1,1,0,0,0,0|1,0,0]=3 8792 B9R0.24 CCC(=O)CCS(=O)CC 1458a_100011387550_100000210202 [1,1,0,0,0,0|1,0,0]=3 8793 B9R0.24 CCC(=O)CNC(=O)CC 1458a_100000194589_100000210202 [1,1,0,0,0,0|1,0,1]=4 8794 B9R0.24 CCC(=O)COC(C)CC 34a_100000725409_100011215416 [1,1,0,0,0,0|1,0,0]=3 8795 B9R0.24 CCC(=O)COC(C)CC 7a_100000210228_100000747405 [1,1,0,0,0,0|1,0,0]=3 8796 B9R0.24 CCC(=O)COC(C)CF 7a_100016041109_100000747405 [1,1,0,0,0,0|2,0,0]=4 8797 B9R0.24 CCC(=O)COC(C)CO 34a_100000725409_100012180447 [1,1,0,0,0,0|2,0,0]=4 8798 B9R0.24 CCC(=O)CSC(C)CC 62a_100000747405_100000758301 [1,1,0,0,0,0|1,0,0]=3 8799 B9R0.24 CCC(=O)CSC(C)CC 62a_100000758301_100000747405 [1,1,0,0,0,0|1,0,0]=3 8800 B9R0.24 CCC(=O)CSC(C)CO 62a_100012180447_100000747405 [1,1,0,0,0,0|2,0,0]=4 8801 B9R0.24 CCC(=O)CSC(C)OC 62a_100000747405_100009879195 [1,1,0,0,0,0|2,0,0]=4 8802 B9R0.24 CCC(=O)CSC(C)OC 62a_100009879195_100000747405 [1,1,0,0,0,0|2,0,0]=4 8803 B9R0.24 CCC(=O)CS[C@H](C)CO 62a_100000747405_100016084084 [1,1,0,0,0,0|2,0,0]=4 8804 B9R0.24 CCC(=O)CS[C@H](C)CO 62a_100016084084_100000747405 [1,1,0,0,0,0|2,0,0]=4 8805 B9R0.24 CCC(=O)NCC(C)CC 11a_100020588543_100000210414 [1,1,0,0,0,0|1,0,0]=3 8806 B9R0.24 CCC(=O)NCC(C)CC 1626a_100020588543_100000210414 [1,1,0,0,0,0|1,0,0]=3 8807 B9R0.24 CCC(=O)NCC(C)CC 240690a_100020588543_100000210414 [1,1,0,0,0,0|1,0,0]=3 8808 B9R0.24 CCC(=O)NCC(C)CC 527a_100020588543_100000210414 [1,1,0,0,0,0|1,0,0]=3 8809 B9R0.24 CCC(=O)NCC(C)CO 240690a_100000744482_100000210414 [1,1,0,0,0,0|2,0,0]=4 8810 B9R0.24 CCC(=O)NCC(C)CO 527a_100000744482_100000210414 [1,1,0,0,0,0|2,0,0]=4 8811 B9R0.24 CCC(=O)NCC(O)CC 11a_100011218483_100000210414 [1,1,0,0,0,0|1,0,0]=3 8812 B9R0.24 CCC(=O)NCC(O)CC 240690a_100011218483_100000210414 [1,1,0,0,0,0|1,0,0]=3 8813 B9R0.24 CCC(=O)NCC(O)CC 527a_100011218483_100000210414 [1,1,0,0,0,0|1,0,0]=3 8814 B9R0.24 CCC(=O)NC[C@@H](C)OC 11a_100020591295_100000210414 [1,1,0,0,0,0|2,0,0]=4 8815 B9R0.24 CCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000210414 [1,1,0,0,0,0|2,0,0]=4 8816 B9R0.24 CCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000210414 [1,1,0,0,0,0|2,0,0]=4 8817 B9R0.24 CCC(=O)NC[C@@H](C)OC 527a_100020591295_100000210414 [1,1,0,0,0,0|2,0,0]=4 8818 B9R0.24 CCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000210414 [1,1,0,0,0,0|2,0,0]=4 8819 B9R0.24 CCC(=O)NC[C@@H](F)CO 527a_100015665980_100000210414 [1,1,0,0,0,0|2,0,0]=4 8820 B9R0.24 CCC(=O)NC[C@H](O)CO 240690a_100020644852_100000210414 [1,1,0,0,0,0|2,0,0]=4 8821 B9R0.24 CCC(=O)NC[C@H](O)CO 527a_100020644852_100000210414 [1,1,0,0,0,0|2,0,0]=4 8822 B9R0.24 CCC(=O)NNC(C)CC 22a_100000718999_100000210414 [1,1,0,0,0,0|2,0,0]=4 8823 B9R0.24 CCC(C)CCC(=O)CF 1458a_100000701222_100015361967 [1,1,0,0,0,0|1,0,0]=3 8824 B9R0.24 CCC(C)CCC(=O)NC 11a_106832991635_100000701222 [1,1,0,0,0,0|1,0,0]=3 8825 B9R0.24 CCC(C)CCC(=O)NC 1626a_100102657272_100000701222 [1,1,0,0,0,0|1,0,0]=3 8826 B9R0.24 CCC(C)CCC(=O)NC 240690a_100102657272_100000701222 [1,1,0,0,0,0|1,0,0]=3 8827 B9R0.24 CCC(C)CCC(=O)NC 527a_100102657272_100000701222 [1,1,0,0,0,0|1,0,0]=3 8828 B9R0.24 CCC(C)CNC(=O)CO 240690a_100020588543_100000210174 [1,1,0,0,0,0|2,0,0]=4 8829 B9R0.24 CCC(C)CNC(=O)CO 527a_100020588543_100000210174 [1,1,0,0,0,0|2,0,0]=4 8830 B9R0.24 CCC(C)CNC(=O)NC 2708a_100020588543_106832991635 [1,1,0,0,0,0|2,0,0]=4 8831 B9R0.24 CCC(C)CNC(=O)NC 2708a_100102657272_100020588543 [1,1,0,0,0,0|2,0,0]=4 8832 B9R0.24 CCC(C)CNC(=O)NC 273464a_100020588543_100102657272 [1,1,0,0,0,0|2,0,0]=4 8833 B9R0.24 CCC(C)CNC(=O)NC 273464a_100102657272_100020588543 [1,1,0,0,0,0|2,0,0]=4 8834 B9R0.24 CCC(C)CNC(=O)NC 512a_100020588543_100102657272 [1,1,0,0,0,0|2,0,0]=4 8835 B9R0.24 CCC(C)CNC(=O)NC 512a_106832991638_100020588543 [1,1,0,0,0,0|2,0,0]=4 8836 B9R0.24 CCC(C)NCC(=O)NC 2230a_100000209981_100000183359 [1,1,0,0,0,0|2,0,0]=4 8837 B9R0.24 CCC(C)NCC(=O)NC 2230a_100000693194_100000758301 [1,1,0,0,0,0|2,0,0]=4 8838 B9R0.24 CCC(C)NCC(=O)OC 2230a_100000209981_100000747449 [1,1,0,0,0,0|2,0,0]=4 8839 B9R0.24 CCC(C)OCC(=O)NC 34a_100000750040_100011215416 [1,1,0,0,0,0|2,0,0]=4 8840 B9R0.24 CCC(C)OCC(=O)NC 7a_100000210228_100000183359 [1,1,0,0,0,0|2,0,0]=4 8841 B9R0.24 CCC(C)OCC(=O)OC 7a_100000210228_100000747449 [1,1,0,0,0,0|2,0,0]=4 8842 B9R0.24 CCC(C)SCC(=O)NC 62a_100000183359_100000758301 [1,1,0,0,0,0|2,0,0]=4 8843 B9R0.24 CCC(C)SCC(=O)NC 62a_100000758301_100000183359 [1,1,0,0,0,0|2,0,0]=4 8844 B9R0.24 CCC(C)SCC(=O)OC 62a_100000747449_100000758301 [1,1,0,0,0,0|2,0,0]=4 8845 B9R0.24 CCC(C)SCC(=O)OC 62a_100000758301_100000747449 [1,1,0,0,0,0|2,0,0]=4 8846 B9R0.24 CCC(O)CCC(=O)NC 1626a_100102657272_203496584001 [1,1,0,0,0,0|1,0,0]=3 8847 B9R0.24 CCC(O)CCC(=O)NC 240690a_100102657272_203496584001 [1,1,0,0,0,0|1,0,0]=3 8848 B9R0.24 CCC(O)CNC(=O)CO 240690a_100011218483_100000210174 [1,1,0,0,0,0|2,0,0]=4 8849 B9R0.24 CCC(O)CNC(=O)CO 527a_100011218483_100000210174 [1,1,0,0,0,0|2,0,0]=4 8850 B9R0.24 CCC(O)CNC(=O)NC 2708a_100102657272_100011218483 [1,1,0,0,0,0|2,0,0]=4 8851 B9R0.24 CCC(O)CNC(=O)NC 273464a_100011218483_100102657272 [1,1,0,0,0,0|2,0,0]=4 8852 B9R0.24 CCC(O)CNC(=O)NC 273464a_100102657272_100011218483 [1,1,0,0,0,0|2,0,0]=4 8853 B9R0.24 CCC(O)CNC(=O)NC 512a_100011218483_100102657272 [1,1,0,0,0,0|2,0,0]=4 8854 B9R0.24 CCN(C)CCC(=O)CF 1458a_100000755305_100015361967 [1,1,0,0,0,0|2,0,0]=4 8855 B9R0.24 CCN(C)CCC(=O)NC 2230a_100000225621_100000737683 [1,1,0,0,0,0|2,0,0]=4 8856 B9R0.24 CCN(C)CCC(=O)NC 2230a_100000750875_100000210202 [1,1,0,0,0,0|2,0,0]=4 8857 B9R0.24 CCN(C)CCC(=O)NC 240690a_100102657272_100000755305 [1,1,0,0,0,0|2,0,0]=4 8858 B9R0.24 CCN(C)CCC(=O)NC 269982a_100000225621_100000737683 [1,1,0,0,0,0|2,0,0]=4 8859 B9R0.24 CCN(C)CCC(=O)NC 269982a_100000750875_100000204670 [1,1,0,0,0,0|2,0,0]=4 8860 B9R0.24 CCN(C)CCC(=O)OC 2230a_100000225621_100000204255 [1,1,0,0,0,0|2,0,0]=4 8861 B9R0.24 CCN(C)CCC(=O)OC 2230a_100000229097_200000210301 [1,1,0,0,0,0|2,0,0]=4 8862 B9R0.24 CCN(C)CCC(=O)OC 269982a_100000225621_100000204255 [1,1,0,0,0,0|2,0,0]=4 8863 B9R0.24 CCN(C)CCC(=O)OC 269982a_100000229097_200000210301 [1,1,0,0,0,0|2,0,0]=4 8864 B9R0.24 CCN(C)CCC(=O)OC 269982a_100025711912_100000204670 [1,1,0,0,0,0|2,0,0]=4 8865 B9R0.24 CCN([13CH3])CCC(=O)OC 2230a_100000229097_200025704644 [1,1,0,0,0,0|2,0,0]=4 8866 B9R0.24 CCN([13CH3])CCC(=O)OC 269982a_100000229097_200025704644 [1,1,0,0,0,0|2,0,0]=4 8867 B9R0.24 CCS(=O)CCC(=O)CF 1458a_100011387550_100015361967 [1,1,0,0,0,0|2,0,0]=4 8868 B9R0.24 CCS(=O)CCC(=O)NC 11a_106832991635_100011387550 [1,1,0,0,0,0|2,0,0]=4 8869 B9R0.24 CCS(=O)CCC(=O)NC 1626a_100102657272_100011387550 [1,1,0,0,0,0|2,0,0]=4 8870 B9R0.24 CCS(=O)CCC(=O)NC 240690a_100102657272_100011387550 [1,1,0,0,0,0|2,0,0]=4 8871 B9R0.24 CCS(=O)CCC(=O)NC 527a_100102657272_100011387550 [1,1,0,0,0,0|2,0,0]=4 8872 B9R0.34 C#CC(=O)CC(C)CCC 1458a_100000211873_100011216630 [1,1,0,0,0,0|0,0,2]=4 8873 B9R0.34 C=C(CCC)CC(=O)CC 1458a_100000138376_100000210202 [1,1,0,0,0,0|0,0,1]=3 8874 B9R0.34 C=C(CCC)CC(=O)CF 1458a_100000138376_100015361967 [1,1,0,0,0,0|1,0,1]=4 8875 B9R0.34 C=C(CCC)CC(=O)NC 11a_106832991635_100000138376 [1,1,0,0,0,0|1,0,1]=4 8876 B9R0.34 C=C(CCC)CC(=O)NC 240690a_100102657272_100000138376 [1,1,0,0,0,0|1,0,1]=4 8877 B9R0.34 C=C(CCC)CC(=O)NC 527a_100102657272_100000138376 [1,1,0,0,0,0|1,0,1]=4 8878 B9R0.34 C=CC(=O)CC(C)CCC 1458a_100000185746_100011216630 [1,1,0,0,0,0|0,0,2]=4 8879 B9R0.34 CCC(=O)CC(=O)CCO 1458a_100011216618_100000747405 [1,1,0,0,0,0|1,0,1]=4 8880 B9R0.34 CCC(=O)CC(=O)COC 1458a_100000210968_100000747405 [1,1,0,0,0,0|1,0,1]=4 8881 B9R0.34 CCC(=O)CC(=O)CSC 1458a_100000184570_100000747405 [1,1,0,0,0,0|1,0,1]=4 8882 B9R0.34 CCC(=O)CN(C)CCO 269982a_100000210263_100000747405 [1,1,0,0,0,0|2,0,0]=4 8883 B9R0.34 CCC(=O)N[C@H](C)CCO 240690a_100000706166_100000210414 [1,1,0,0,0,0|2,0,0]=4 8884 B9R0.34 CCC(=O)N[C@H](C)CCO 527a_100000706166_100000210414 [1,1,0,0,0,0|2,0,0]=4 8885 B9R0.34 CCC(=O)N[C@H](C)COC 11a_100000764878_100000210414 [1,1,0,0,0,0|2,0,0]=4 8886 B9R0.34 CCC(=O)N[C@H](C)COC 1626a_100000764878_100000210414 [1,1,0,0,0,0|2,0,0]=4 8887 B9R0.34 CCC(=O)N[C@H](C)COC 240690a_100000764878_100000210414 [1,1,0,0,0,0|2,0,0]=4 8888 B9R0.34 CCC(=O)N[C@H](C)COC 527a_100000764878_100000210414 [1,1,0,0,0,0|2,0,0]=4 8889 B9R0.34 CCCC(=CC(=O)CC)C 1458a_100020676950_100000210202 [1,1,0,0,0,0|0,0,2]=4 8890 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000210414_100000747444 [1,1,0,0,0,0|0,0,1]=3 8891 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000211992_100000747405 [1,1,0,0,0,0|0,0,1]=3 8892 B9R0.34 CCCC(=O)CC(=O)CO 1458a_100000210174_100000747444 [1,1,0,0,0,0|1,0,1]=4 8893 B9R0.34 CCCC(=O)CC(=O)NC 1458a_100000211992_100000183359 [1,1,0,0,0,0|1,0,1]=4 8894 B9R0.34 CCCC(=O)CC(=O)OC 1458a_100000211351_100000210303 [1,1,0,0,0,0|1,0,1]=4 8895 B9R0.34 CCCC(=O)CC(=O)OC 1458a_100000211992_100000747449 [1,1,0,0,0,0|1,0,1]=4 8896 B9R0.34 CCCC(C)CC(=O)CC 1458a_100000210414_100011216630 [1,1,0,0,0,0|0,0,0]=2 8897 B9R0.34 CCCC(C)CC(=O)CC 1458a_100000748435_100000210202 [1,1,0,0,0,0|0,0,0]=2 8898 B9R0.34 CCCC(C)CC(=O)CF 1458a_100000748435_100015361967 [1,1,0,0,0,0|1,0,0]=3 8899 B9R0.34 CCCC(C)CC(=O)CO 1458a_100000210174_100011216630 [1,1,0,0,0,0|1,0,0]=3 8900 B9R0.34 CCCC(C)CC(=O)NC 11a_106832991635_100000748435 [1,1,0,0,0,0|1,0,0]=3 8901 B9R0.34 CCCC(C)CC(=O)NC 1626a_100102657272_100000748435 [1,1,0,0,0,0|1,0,0]=3 8902 B9R0.34 CCCC(C)CC(=O)NC 240690a_100102657272_100000748435 [1,1,0,0,0,0|1,0,0]=3 8903 B9R0.34 CCCC(C)CC(=O)NC 527a_100102657272_100000748435 [1,1,0,0,0,0|1,0,0]=3 8904 B9R0.34 CCCC(C)CN(C)CC 2230a_100000225621_100011216630 [1,1,0,0,0,0|2,0,0]=4 8905 B9R0.34 CCCC(C)CN(C)CC 269982a_100000225621_100011216630 [1,1,0,0,0,0|2,0,0]=4 8906 B9R0.34 CCCC(C)NC(=O)CC 11a_100000741246_100000210414 [1,1,0,0,0,0|1,0,0]=3 8907 B9R0.34 CCCC(C)NC(=O)CC 1626a_100000741246_100000210414 [1,1,0,0,0,0|1,0,0]=3 8908 B9R0.34 CCCC(C)NC(=O)CC 240690a_100000741246_100000210414 [1,1,0,0,0,0|1,0,0]=3 8909 B9R0.34 CCCC(C)NC(=O)CC 527a_100000741246_100000210414 [1,1,0,0,0,0|1,0,0]=3 8910 B9R0.34 CCCC(C)NC(=O)CO 240690a_100000741246_100000210174 [1,1,0,0,0,0|2,0,0]=4 8911 B9R0.34 CCCC(C)NC(=O)CO 527a_100000741246_100000210174 [1,1,0,0,0,0|2,0,0]=4 8912 B9R0.34 CCCC(C)NC(=O)NC 2708a_100000741246_106832991635 [1,1,0,0,0,0|2,0,0]=4 8913 B9R0.34 CCCC(C)NC(=O)NC 2708a_100102657272_100000741246 [1,1,0,0,0,0|2,0,0]=4 8914 B9R0.34 CCCC(C)NC(=O)NC 273464a_100000741246_100102657272 [1,1,0,0,0,0|2,0,0]=4 8915 B9R0.34 CCCC(C)NC(=O)NC 512a_100000741246_100102657272 [1,1,0,0,0,0|2,0,0]=4 8916 B9R0.34 CCCC(C)NC(=O)NC 512a_106832991638_100000741246 [1,1,0,0,0,0|2,0,0]=4 8917 B9R0.34 CCCN(C)CC(=O)CC 269982a_100000747261_100000747405 [1,1,0,0,0,0|1,0,0]=3 8918 B9R0.34 CCCN(C)CC(=O)NC 2230a_100000189611_100000210303 [1,1,0,0,0,0|2,0,0]=4 8919 B9R0.34 CCCN(C)CC(=O)NC 2230a_100000747261_100000183359 [1,1,0,0,0,0|2,0,0]=4 8920 B9R0.34 CCCN(C)CC(=O)NC 269982a_100000747261_100000183359 [1,1,0,0,0,0|2,0,0]=4 8921 B9R0.34 CCCN(C)CC(=O)OC 2230a_100000198492_100000210303 [1,1,0,0,0,0|2,0,0]=4 8922 B9R0.34 CCCN(C)CC(=O)OC 2230a_100000747261_100000747449 [1,1,0,0,0,0|2,0,0]=4 8923 B9R0.34 CCCN(C)CC(=O)OC 269982a_100000747261_100000747449 [1,1,0,0,0,0|2,0,0]=4 8924 B9R0.34 CCCS(=O)CC(=O)CC 1458a_100011387404_100000210202 [1,1,0,0,0,0|1,0,0]=3 8925 B9R0.34 CCCS(=O)CC(=O)CF 1458a_100011387404_100015361967 [1,1,0,0,0,0|2,0,0]=4 8926 B9R0.34 CCCS(=O)CC(=O)NC 11a_106832991635_100011387404 [1,1,0,0,0,0|2,0,0]=4 8927 B9R0.34 CCCS(=O)CC(=O)NC 1626a_100102657272_100011387404 [1,1,0,0,0,0|2,0,0]=4 8928 B9R0.34 CCCS(=O)CC(=O)NC 240690a_100102657272_100011387404 [1,1,0,0,0,0|2,0,0]=4 8929 B9R0.34 CCCS(=O)CC(=O)NC 527a_100102657272_100011387404 [1,1,0,0,0,0|2,0,0]=4 8930 B9R0.34 CCNC(=O)CC(=O)CC 1458a_100000210414_100000183381 [1,1,0,0,0,0|1,0,1]=4 8931 B9R0.34 CCNC(C)CC(=O)OC 2230a_100015525214_100009817358 [1,1,0,0,0,0|2,0,0]=4 8932 B9R0.34 CCOC(=O)CC(=O)CC 1458a_100000210414_100000188475 [1,1,0,0,0,0|1,0,1]=4 8933 B9R0.34 CCOC(=O)CC(=O)CC 1458a_100000243816_100000210202 [1,1,0,0,0,0|1,0,1]=4 8934 B9R0.34 CCOC(C)CC(=O)OC 34a_100121572206_100009817358 [1,1,0,0,0,0|2,0,0]=4 8935 B9R0.34 CCSC(C)CC(=O)CC 1458a_200011311441_100000210202 [1,1,0,0,0,0|1,0,0]=3 8936 B9R0.34 CCSC(C)CC(=O)CF 1458a_200011311441_100015361967 [1,1,0,0,0,0|2,0,0]=4 8937 B9R0.34 CCSC(C)CC(=O)NC 11a_106832991635_200011311441 [1,1,0,0,0,0|2,0,0]=4 8938 B9R0.34 CCSC(C)CC(=O)NC 1626a_100102657272_200011311441 [1,1,0,0,0,0|2,0,0]=4 8939 B9R0.34 CCSC(C)CC(=O)NC 240690a_100102657272_200011311441 [1,1,0,0,0,0|2,0,0]=4 8940 B9R0.34 CCSC(C)CC(=O)NC 527a_100102657272_200011311441 [1,1,0,0,0,0|2,0,0]=4 8941 B9R0.34 CCSC(C)CC(=O)OC 62a_100000210202_100009817358 [1,1,0,0,0,0|2,0,0]=4 8942 B9R0.34 CCSC(C)CC(=O)OC 62a_100009817358_100000210202 [1,1,0,0,0,0|2,0,0]=4 8943 B9R0.34 CNC[C@H](O)CC(=O)OC 34a_100102657272_100000754131 [1,1,0,0,0,0|2,0,0]=4 8944 B9R0.34 CNC[C@H](O)CC(=O)OC 7a_106832991635_100000754131 [1,1,0,0,0,0|2,0,0]=4 8945 B9R0.34 COC(=O)C[C@@H](O)CSC 62a_100000754131_200000210301 [1,1,0,0,0,0|2,0,0]=4 8946 B9R0.34 COC(=O)C[C@@H](O)CSC 62a_200000210301_100000754131 [1,1,0,0,0,0|2,0,0]=4 8947 B9R0.34 COC(=O)C[C@@H](O)CS[13CH3] 62a_100000754131_200025704644 [1,1,0,0,0,0|2,0,0]=4 8948 B9R0.34 COC(=O)C[C@@H](O)CS[13CH3] 62a_200025704644_100000754131 [1,1,0,0,0,0|2,0,0]=4 8949 B9R0.34 COC[C@H](O)CC(=O)OC 34a_100138415774_100000754131 [1,1,0,0,0,0|2,0,0]=4 8950 B9R0.47 C#CCCCC(=O)C(C)C 1458a_100000210198_100000731252 [1,1,0,0,0,0|0,0,2]=4 8951 B9R0.47 C#CCCCC(=O)C(C)C 1458a_100000690238_100000210206 [1,1,0,0,0,0|0,0,2]=4 8952 B9R0.47 C#CCCCC(=O)C(C)F 1458a_100000062450_100000731252 [1,1,0,0,0,0|0,0,2]=4 8953 B9R0.47 C#CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000731252 [1,1,0,0,0,0|0,0,2]=4 8954 B9R0.47 C#CCCCC(=O)[C@H](C)O 1458a_217856618621_100000731252 [1,1,0,0,0,0|0,0,2]=4 8955 B9R0.47 C=C(C)C(=O)CCCCC 1458a_100000185857_100000210326 [1,1,0,0,0,0|0,0,1]=3 8956 B9R0.47 C=C(C)C(=O)CCCCF 1458a_100000185857_100000729493 [1,1,0,0,0,0|1,0,1]=4 8957 B9R0.47 C=C(C)C(=O)CCCCO 1458a_100000185857_100000210776 [1,1,0,0,0,0|1,0,1]=4 8958 B9R0.47 C=C(C)C(=O)CCCOC 1458a_100000185857_100000740836 [1,1,0,0,0,0|1,0,1]=4 8959 B9R0.47 C=C(C)C(=O)CCOCC 1458a_100000185857_100011215890 [1,1,0,0,0,0|1,0,1]=4 8960 B9R0.47 C=C(C)C(=O)CCSCC 1458a_100000185857_100000757381 [1,1,0,0,0,0|1,0,1]=4 8961 B9R0.47 C=C(C)C(=O)NCCCC 11a_100000102301_100000185857 [1,1,0,0,0,0|1,0,1]=4 8962 B9R0.47 C=C(C)C(=O)NCCCC 1626a_100000102301_100000185857 [1,1,0,0,0,0|1,0,1]=4 8963 B9R0.47 C=CCCCC(=O)C(C)C 1458a_100000210198_100000757094 [1,1,0,0,0,0|0,0,2]=4 8964 B9R0.47 C=CCCCC(=O)C(C)C 1458a_100000766728_100000210206 [1,1,0,0,0,0|0,0,2]=4 8965 B9R0.47 C=CCCCC(=O)C(C)F 1458a_100000062450_100000757094 [1,1,0,0,0,0|0,0,2]=4 8966 B9R0.47 C=CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000757094 [1,1,0,0,0,0|0,0,2]=4 8967 B9R0.47 C=CCCCC(=O)[C@H](C)O 1458a_217856618621_100000757094 [1,1,0,0,0,0|0,0,2]=4 8968 B9R0.47 CC(C)C(=O)CCCC#N 1458a_100000075515_100000210206 [1,1,0,0,0,0|1,0,1]=4 8969 B9R0.47 CC(C)C(=O)CCCC#N 1458a_100000210198_100000211468 [1,1,0,0,0,0|1,0,1]=4 8970 B9R0.47 CC(C)C(=O)CCCCF 1458a_100000210198_100000729493 [1,1,0,0,0,0|1,0,0]=3 8971 B9R0.47 CC(C)C(=O)CCCCO 1458a_100000210198_100000210776 [1,1,0,0,0,0|1,0,0]=3 8972 B9R0.47 CC(C)C(=O)CCCCO 1458a_100000695505_100000210206 [1,1,0,0,0,0|1,0,0]=3 8973 B9R0.47 CC(C)C(=O)CNCCF 34a_100000724931_100000753385 [1,1,0,0,0,0|2,0,0]=4 8974 B9R0.47 CC(C)C(=O)CNCCO 2230a_100016997473_100000753385 [1,1,0,0,0,0|2,0,0]=4 8975 B9R0.47 CC(C)C(=O)CNCCO 34a_100016990907_100000753385 [1,1,0,0,0,0|2,0,0]=4 8976 B9R0.47 CC(C)C(=O)COCCBr 34a_100000211926_100000753385 [1,1,0,0,0,0|2,0,0]=4 8977 B9R0.47 CC(C)C(=O)COCCN 34a_100000210304_100000753385 [1,1,0,0,0,0|2,0,0]=4 8978 B9R0.47 CC(C)C(=O)COCCO 1458a_100000708028_100000210206 [1,1,0,0,0,0|2,0,0]=4 8979 B9R0.47 CC(C)C(=O)CSCCF 62a_100000753385_100011217306 [1,1,0,0,0,0|2,0,0]=4 8980 B9R0.47 CC(C)C(=O)CSCCF 62a_100011217306_100000753385 [1,1,0,0,0,0|2,0,0]=4 8981 B9R0.47 CC(C)C(=O)CSCCO 62a_100000211926_100000753385 [1,1,0,0,0,0|2,0,0]=4 8982 B9R0.47 CC(C)C(=O)CSCCO 62a_100000753385_100000211926 [1,1,0,0,0,0|2,0,0]=4 8983 B9R0.47 CC(C)C(=O)NCCCF 11a_100015189416_100000210198 [1,1,0,0,0,0|2,0,0]=4 8984 B9R0.47 CC(C)C(=O)NCCCF 1626a_100015189416_100000210198 [1,1,0,0,0,0|2,0,0]=4 8985 B9R0.47 CC(C)C(=O)NCCCF 240690a_100015189416_100000210198 [1,1,0,0,0,0|2,0,0]=4 8986 B9R0.47 CC(C)C(=O)NCCCF 527a_100015189416_100000210198 [1,1,0,0,0,0|2,0,0]=4 8987 B9R0.47 CC(C)C(=O)NCCCO 240690a_100000182051_100000210198 [1,1,0,0,0,0|2,0,0]=4 8988 B9R0.47 CC(C)C(=O)NCCCO 527a_100000182051_100000210198 [1,1,0,0,0,0|2,0,0]=4 8989 B9R0.47 CC(C)C(=O)NCCN[13CH3] 2230a_100000752568_200025704644 [1,1,0,0,0,0|2,0,0]=4 8990 B9R0.47 CC(C)C(=O)NCCN[13CH3] 34a_100000752568_200025704644 [1,1,0,0,0,0|2,0,0]=4 8991 B9R0.47 CC(F)C(=O)CCCC#N 1458a_100000062450_100000211468 [1,1,0,0,0,0|1,0,1]=4 8992 B9R0.47 CC(F)C(=O)CCCCF 1458a_100000062450_100000729493 [1,1,0,0,0,0|1,0,0]=3 8993 B9R0.47 CC(F)C(=O)CCCCO 1458a_100000062450_100000210776 [1,1,0,0,0,0|1,0,0]=3 8994 B9R0.47 CC(F)C(=O)NCCCF 11a_100015189416_100000062450 [1,1,0,0,0,0|2,0,0]=4 8995 B9R0.47 CC(F)C(=O)NCCCF 1626a_100015189416_100000062450 [1,1,0,0,0,0|2,0,0]=4 8996 B9R0.47 CC(F)C(=O)NCCCF 240690a_100015189416_100000062450 [1,1,0,0,0,0|2,0,0]=4 8997 B9R0.47 CC(F)C(=O)NCCCF 527a_100015189416_100000062450 [1,1,0,0,0,0|2,0,0]=4 8998 B9R0.47 CC(F)C(=O)NCCCO 240690a_100000182051_100000062450 [1,1,0,0,0,0|2,0,0]=4 8999 B9R0.47 CC(F)C(=O)NCCCO 527a_100000182051_100000062450 [1,1,0,0,0,0|2,0,0]=4 9000 B9R0.47 CC/C=C/CC(=O)C(C)C 1458a_100016274230_100000210206 [1,1,0,0,0,0|0,0,2]=4 9001 B9R0.47 CC/C=C\CC(=O)C(C)C 1458a_100000210198_100103147603 [1,1,0,0,0,0|0,0,2]=4 9002 B9R0.47 CC/C=C\CC(=O)C(C)F 1458a_100000062450_100103147603 [1,1,0,0,0,0|0,0,2]=4 9003 B9R0.47 CC/C=C\CC(=O)[C@@H](C)O 1458a_100000717761_100103147603 [1,1,0,0,0,0|0,0,2]=4 9004 B9R0.47 CC/C=C\CC(=O)[C@H](C)O 1458a_217856618621_100103147603 [1,1,0,0,0,0|0,0,2]=4 9005 B9R0.47 CCC#CCC(=O)C(C)C 1458a_100000210198_100009813939 [1,1,0,0,0,0|0,0,2]=4 9006 B9R0.47 CCC#CCC(=O)C(C)F 1458a_100000062450_100009813939 [1,1,0,0,0,0|0,0,2]=4 9007 B9R0.47 CCC#CCC(=O)[C@@H](C)O 1458a_100000717761_100009813939 [1,1,0,0,0,0|0,0,2]=4 9008 B9R0.47 CCC#CCC(=O)[C@H](C)O 1458a_217856618621_100009813939 [1,1,0,0,0,0|0,0,2]=4 9009 B9R0.47 CCCC#CC(=O)C(C)C 1458a_200011218047_100000210206 [1,1,0,0,0,0|0,0,2]=4 9010 B9R0.47 CCCC=CC(=O)C(C)C 1458a_100000212230_100000210206 [1,1,0,0,0,0|0,0,2]=4 9011 B9R0.47 CCCCCC(=O)C(C)C 1458a_100000210198_100000210326 [1,1,0,0,0,0|0,0,0]=2 9012 B9R0.47 CCCCCC(=O)C(C)C 1458a_100000212188_100000210206 [1,1,0,0,0,0|0,0,0]=2 9013 B9R0.47 CCCCCC(=O)C(C)F 1458a_100000062450_100000210326 [1,1,0,0,0,0|0,0,0]=2 9014 B9R0.47 CCCCCC(=O)C(O)O 1458a_100000233687_100000210326 [1,1,0,0,0,0|1,0,0]=3 9015 B9R0.47 CCCCCC(=O)N(C)C 11a_100102631434_100000212188 [1,1,0,0,0,0|1,0,0]=3 9016 B9R0.47 CCCCCC(=O)N(C)C 1626a_100102631434_100000212188 [1,1,0,0,0,0|1,0,0]=3 9017 B9R0.47 CCCCCC(=O)N(C)C 240690a_100102631434_100000212188 [1,1,0,0,0,0|1,0,0]=3 9018 B9R0.47 CCCCCC(=O)N(C)C 527a_100102631434_100000212188 [1,1,0,0,0,0|1,0,0]=3 9019 B9R0.47 CCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210326 [1,1,0,0,0,0|0,0,0]=2 9020 B9R0.47 CCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210326 [1,1,0,0,0,0|0,0,0]=2 9021 B9R0.47 CCCCCN(C)C(C)C 2230a_100000223495_100000210206 [1,1,0,0,0,0|2,0,0]=4 9022 B9R0.47 CCCCCN(C)C(C)C 2230a_100000223497_200000210301 [1,1,0,0,0,0|2,0,0]=4 9023 B9R0.47 CCCCCN(C)C(C)C 269982a_100000223495_100000210206 [1,1,0,0,0,0|2,0,0]=4 9024 B9R0.47 CCCCCN(C)C(C)C 269982a_100000223497_200000210301 [1,1,0,0,0,0|2,0,0]=4 9025 B9R0.47 CCCCCN(C)C(C)C 269982a_200000211004_100000210215 [1,1,0,0,0,0|2,0,0]=4 9026 B9R0.47 CCCCCN([13CH3])C(C)C 2230a_100000223497_200025704644 [1,1,0,0,0,0|2,0,0]=4 9027 B9R0.47 CCCCCN([13CH3])C(C)C 269982a_100000223497_200025704644 [1,1,0,0,0,0|2,0,0]=4 9028 B9R0.47 CCCCNC(=O)C(C)C 11a_100000102301_100000210198 [1,1,0,0,0,0|1,0,0]=3 9029 B9R0.47 CCCCNC(=O)C(C)C 1626a_100000102301_100000210198 [1,1,0,0,0,0|1,0,0]=3 9030 B9R0.47 CCCCNC(=O)C(C)C 240690a_100000102301_100000210198 [1,1,0,0,0,0|1,0,0]=3 9031 B9R0.47 CCCCNC(=O)C(C)C 527a_100000102301_100000210198 [1,1,0,0,0,0|1,0,0]=3 9032 B9R0.47 CCCCNC(=O)C(C)F 11a_100000102301_100000062450 [1,1,0,0,0,0|1,0,0]=3 9033 B9R0.47 CCCCNC(=O)C(C)F 1626a_100000102301_100000062450 [1,1,0,0,0,0|1,0,0]=3 9034 B9R0.47 CCCCNC(=O)C(C)F 240690a_100000102301_100000062450 [1,1,0,0,0,0|1,0,0]=3 9035 B9R0.47 CCCCNC(=O)C(C)F 527a_100000102301_100000062450 [1,1,0,0,0,0|1,0,0]=3 9036 B9R0.47 CCCCNC(=O)C(F)F 11a_100000102301_100000210393 [1,1,0,0,0,0|2,0,0]=4 9037 B9R0.47 CCCCNC(=O)C(F)F 1626a_100000102301_100000210393 [1,1,0,0,0,0|2,0,0]=4 9038 B9R0.47 CCCCNC(=O)C(F)F 240690a_100000102301_100000210393 [1,1,0,0,0,0|2,0,0]=4 9039 B9R0.47 CCCCNC(=O)C(F)F 527a_100000102301_100000210393 [1,1,0,0,0,0|2,0,0]=4 9040 B9R0.47 CCCCNC(=O)C(O)O 240690a_100000102301_100000233687 [1,1,0,0,0,0|2,0,0]=4 9041 B9R0.47 CCCCNC(=O)N(C)C 2708a_100000102301_100102631434 [1,1,0,0,0,0|2,0,0]=4 9042 B9R0.47 CCCCNC(=O)[C@@H](C)O 240690a_100000102301_100000717761 [1,1,0,0,0,0|1,0,0]=3 9043 B9R0.47 CCCCNC(=O)[C@H](C)O 1626a_100000102301_217856618621 [1,1,0,0,0,0|1,0,0]=3 9044 B9R0.47 CCCCNC(=O)[C@H](C)O 240690a_100000102301_217856618621 [1,1,0,0,0,0|1,0,0]=3 9045 B9R0.47 CCCNCC(=O)N(C)C 2230a_100015183351_100000210303 [1,1,0,0,0,0|2,0,0]=4 9046 B9R0.47 CCCNNC(=O)C(C)C 22a_100000740057_100000210198 [1,1,0,0,0,0|2,0,0]=4 9047 B9R0.47 CCCNNC(=O)C(C)F 22a_100000740057_100000062450 [1,1,0,0,0,0|2,0,0]=4 9048 B9R0.47 CCCNNC(=O)[C@@H](C)O 22a_100000740057_100000717761 [1,1,0,0,0,0|2,0,0]=4 9049 B9R0.47 CCCNNC(=O)[C@H](C)O 22a_100000740057_217856618621 [1,1,0,0,0,0|2,0,0]=4 9050 B9R0.47 CCCOCC(=O)C(=O)C 34a_100000210258_100011261029 [1,1,0,0,0,0|1,0,1]=4 9051 B9R0.47 CCCOCC(=O)C(C)C 1458a_100000745993_100000210206 [1,1,0,0,0,0|1,0,0]=3 9052 B9R0.47 CCCOCC(=O)C(C)C 34a_100000210258_100000753385 [1,1,0,0,0,0|1,0,0]=3 9053 B9R0.47 CCCOCC(=O)N(C)C 11a_100102631434_100000745993 [1,1,0,0,0,0|2,0,0]=4 9054 B9R0.47 CCCOCC(=O)N(C)C 1626a_100102631434_100000745993 [1,1,0,0,0,0|2,0,0]=4 9055 B9R0.47 CCCOCC(=O)N(C)C 240690a_100102631434_100000745993 [1,1,0,0,0,0|2,0,0]=4 9056 B9R0.47 CCCOCC(=O)N(C)C 34a_100000210258_100000692301 [1,1,0,0,0,0|2,0,0]=4 9057 B9R0.47 CCCOCC(=O)N(C)C 527a_100102631434_100000745993 [1,1,0,0,0,0|2,0,0]=4 9058 B9R0.47 CCCSCC(=O)C(=O)C 62a_100000210303_100011261029 [1,1,0,0,0,0|1,0,1]=4 9059 B9R0.47 CCCSCC(=O)C(=O)C 62a_100011261029_100000210303 [1,1,0,0,0,0|1,0,1]=4 9060 B9R0.47 CCCSCC(=O)C(C)C 1458a_100000217233_100000210206 [1,1,0,0,0,0|1,0,0]=3 9061 B9R0.47 CCCSCC(=O)C(C)C 62a_100000210303_100000753385 [1,1,0,0,0,0|1,0,0]=3 9062 B9R0.47 CCCSCC(=O)C(C)C 62a_100000753385_100000210303 [1,1,0,0,0,0|1,0,0]=3 9063 B9R0.47 CCCSCC(=O)N(C)C 11a_100102631434_100000217233 [1,1,0,0,0,0|2,0,0]=4 9064 B9R0.47 CCCSCC(=O)N(C)C 1626a_100102631434_100000217233 [1,1,0,0,0,0|2,0,0]=4 9065 B9R0.47 CCCSCC(=O)N(C)C 240690a_100102631434_100000217233 [1,1,0,0,0,0|2,0,0]=4 9066 B9R0.47 CCCSCC(=O)N(C)C 527a_100102631434_100000217233 [1,1,0,0,0,0|2,0,0]=4 9067 B9R0.47 CCCSCC(=O)N(C)C 62a_100000210303_100000692301 [1,1,0,0,0,0|2,0,0]=4 9068 B9R0.47 CCCSCC(=O)N(C)C 62a_100000692301_100000210303 [1,1,0,0,0,0|2,0,0]=4 9069 B9R0.47 CCNCCC(=O)N(C)C 2230a_100000738053_100000210202 [1,1,0,0,0,0|2,0,0]=4 9070 B9R0.47 CCNCCC(=O)N(C)C 2230a_100015525214_100000737620 [1,1,0,0,0,0|2,0,0]=4 9071 B9R0.47 CCOCCC(=O)C(C)C 1458a_100000210198_100011215890 [1,1,0,0,0,0|1,0,0]=3 9072 B9R0.47 CCOCCC(=O)C(C)C 1458a_100000749530_100000210206 [1,1,0,0,0,0|1,0,0]=3 9073 B9R0.47 CCOCCC(=O)C(C)F 1458a_100000062450_100011215890 [1,1,0,0,0,0|1,0,0]=3 9074 B9R0.47 CCOCCC(=O)C(O)O 1458a_100000233687_100011215890 [1,1,0,0,0,0|2,0,0]=4 9075 B9R0.47 CCOCCC(=O)N(C)C 11a_100102631434_100000749530 [1,1,0,0,0,0|2,0,0]=4 9076 B9R0.47 CCOCCC(=O)N(C)C 1626a_100102631434_100000749530 [1,1,0,0,0,0|2,0,0]=4 9077 B9R0.47 CCOCCC(=O)N(C)C 240690a_100102631434_100000749530 [1,1,0,0,0,0|2,0,0]=4 9078 B9R0.47 CCOCCC(=O)N(C)C 34a_200000747469_100000210202 [1,1,0,0,0,0|2,0,0]=4 9079 B9R0.47 CCOCCC(=O)N(C)C 527a_100102631434_100000749530 [1,1,0,0,0,0|2,0,0]=4 9080 B9R0.47 CCOCCC(=O)[C@@H](C)O 1458a_100000717761_100011215890 [1,1,0,0,0,0|1,0,0]=3 9081 B9R0.47 CCOCCC(=O)[C@H](C)O 1458a_217856618621_100011215890 [1,1,0,0,0,0|1,0,0]=3 9082 B9R0.47 CCSCCC(=O)C(C)C 1458a_100000210198_100000757381 [1,1,0,0,0,0|1,0,0]=3 9083 B9R0.47 CCSCCC(=O)C(C)C 1458a_100000230768_100000210206 [1,1,0,0,0,0|1,0,0]=3 9084 B9R0.47 CCSCCC(=O)C(C)F 1458a_100000062450_100000757381 [1,1,0,0,0,0|1,0,0]=3 9085 B9R0.47 CCSCCC(=O)C(O)O 1458a_100000233687_100000757381 [1,1,0,0,0,0|2,0,0]=4 9086 B9R0.47 CCSCCC(=O)N(C)C 11a_100102631434_100000230768 [1,1,0,0,0,0|2,0,0]=4 9087 B9R0.47 CCSCCC(=O)N(C)C 1626a_100102631434_100000230768 [1,1,0,0,0,0|2,0,0]=4 9088 B9R0.47 CCSCCC(=O)N(C)C 240690a_100102631434_100000230768 [1,1,0,0,0,0|2,0,0]=4 9089 B9R0.47 CCSCCC(=O)N(C)C 527a_100102631434_100000230768 [1,1,0,0,0,0|2,0,0]=4 9090 B9R0.47 CCSCCC(=O)N(C)C 62a_100000210202_100000737620 [1,1,0,0,0,0|2,0,0]=4 9091 B9R0.47 CCSCCC(=O)N(C)C 62a_100000737620_100000210202 [1,1,0,0,0,0|2,0,0]=4 9092 B9R0.47 CCSCCC(=O)[C@@H](C)O 1458a_100000717761_100000757381 [1,1,0,0,0,0|1,0,0]=3 9093 B9R0.47 CCSCCC(=O)[C@H](C)O 1458a_217856618621_100000757381 [1,1,0,0,0,0|1,0,0]=3 9094 B9R0.47 CCSCOC(=O)C(C)C 62a_100000139345_100000210202 [1,1,0,0,0,0|2,0,0]=4 9095 B9R0.47 CCSCOC(=O)C(C)C 62a_100000210202_100000139345 [1,1,0,0,0,0|2,0,0]=4 9096 B9R0.47 CN(C)C(=O)CCCCO 1626a_100102631434_100000695505 [1,1,0,0,0,0|2,0,0]=4 9097 B9R0.47 CN(C)C(=O)CCCN[13CH3] 2230a_200000744827_200025704644 [1,1,0,0,0,0|2,0,0]=4 9098 B9R0.47 CN(C)C(=O)CCCS[13CH3] 62a_100000737642_200025704644 [1,1,0,0,0,0|2,0,0]=4 9099 B9R0.47 CN(C)C(=O)CCCS[13CH3] 62a_200025704644_100000737642 [1,1,0,0,0,0|2,0,0]=4 9100 B9R0.47 CNCCCC(=O)N(C)C 2230a_106832991635_100000737642 [1,1,0,0,0,0|2,0,0]=4 9101 B9R0.47 CNCCCC(=O)N(C)C 2230a_200000744827_200000210301 [1,1,0,0,0,0|2,0,0]=4 9102 B9R0.47 CNCCCC(=O)N(C)C 7a_106832991635_100000737642 [1,1,0,0,0,0|2,0,0]=4 9103 B9R0.47 CNCCNC(=O)C(C)C 2230a_100000752568_200000210301 [1,1,0,0,0,0|2,0,0]=4 9104 B9R0.47 CNCCNC(=O)C(C)C 34a_100000752568_200000210301 [1,1,0,0,0,0|2,0,0]=4 9105 B9R0.47 COCCCC(=O)C(C)C 1458a_100000210198_100000740836 [1,1,0,0,0,0|1,0,0]=3 9106 B9R0.47 COCCCC(=O)C(C)C 1458a_100000741012_100000210206 [1,1,0,0,0,0|1,0,0]=3 9107 B9R0.47 COCCCC(=O)C(C)F 1458a_100000062450_100000740836 [1,1,0,0,0,0|1,0,0]=3 9108 B9R0.47 COCCCC(=O)C(O)O 1458a_100000233687_100000740836 [1,1,0,0,0,0|2,0,0]=4 9109 B9R0.47 COCCCC(=O)N(C)C 11a_100102631434_100000741012 [1,1,0,0,0,0|2,0,0]=4 9110 B9R0.47 COCCCC(=O)N(C)C 1626a_100102631434_100000741012 [1,1,0,0,0,0|2,0,0]=4 9111 B9R0.47 COCCCC(=O)N(C)C 240690a_100102631434_100000741012 [1,1,0,0,0,0|2,0,0]=4 9112 B9R0.47 COCCCC(=O)N(C)C 527a_100102631434_100000741012 [1,1,0,0,0,0|2,0,0]=4 9113 B9R0.47 COCCCC(=O)[C@@H](C)O 1458a_100000717761_100000740836 [1,1,0,0,0,0|1,0,0]=3 9114 B9R0.47 COCCCC(=O)[C@H](C)O 1458a_217856618621_100000740836 [1,1,0,0,0,0|1,0,0]=3 9115 B9R0.47 COCCNC(=O)C(C)C 1626a_100000209980_100000210198 [1,1,0,0,0,0|2,0,0]=4 9116 B9R0.47 COCCNC(=O)C(C)C 240690a_100000209980_100000210198 [1,1,0,0,0,0|2,0,0]=4 9117 B9R0.47 COCCNC(=O)C(C)C 527a_100000209980_100000210198 [1,1,0,0,0,0|2,0,0]=4 9118 B9R0.47 COCCNC(=O)C(C)F 1626a_100000209980_100000062450 [1,1,0,0,0,0|2,0,0]=4 9119 B9R0.47 COCCNC(=O)C(C)F 240690a_100000209980_100000062450 [1,1,0,0,0,0|2,0,0]=4 9120 B9R0.47 COCCNC(=O)C(C)F 527a_100000209980_100000062450 [1,1,0,0,0,0|2,0,0]=4 9121 B9R0.47 COCCNC(=O)[C@@H](C)O 240690a_100000209980_100000717761 [1,1,0,0,0,0|2,0,0]=4 9122 B9R0.47 COCCNC(=O)[C@H](C)O 1626a_100000209980_217856618621 [1,1,0,0,0,0|2,0,0]=4 9123 B9R0.47 COCCNC(=O)[C@H](C)O 240690a_100000209980_217856618621 [1,1,0,0,0,0|2,0,0]=4 9124 B9R0.47 COCSCC(=O)C(C)C 62a_100000753385_100000766300 [1,1,0,0,0,0|2,0,0]=4 9125 B9R0.47 COCSCC(=O)C(C)C 62a_100000766300_100000753385 [1,1,0,0,0,0|2,0,0]=4 9126 B9R0.47 CSCCCC(=O)C(C)C 1458a_100000173376_100000210206 [1,1,0,0,0,0|1,0,0]=3 9127 B9R0.47 CSCCCC(=O)N(C)C 11a_100102631434_100000173376 [1,1,0,0,0,0|2,0,0]=4 9128 B9R0.47 CSCCCC(=O)N(C)C 1626a_100102631434_100000173376 [1,1,0,0,0,0|2,0,0]=4 9129 B9R0.47 CSCCCC(=O)N(C)C 240690a_100102631434_100000173376 [1,1,0,0,0,0|2,0,0]=4 9130 B9R0.47 CSCCCC(=O)N(C)C 527a_100102631434_100000173376 [1,1,0,0,0,0|2,0,0]=4 9131 B9R0.47 CSCCCC(=O)N(C)C 62a_100000737642_200000210301 [1,1,0,0,0,0|2,0,0]=4 9132 B9R0.47 CSCCCC(=O)N(C)C 62a_200000210301_100000737642 [1,1,0,0,0,0|2,0,0]=4 9133 B9R0.47 CSCCNC(=O)C(C)C 11a_100020590264_100000210198 [1,1,0,0,0,0|2,0,0]=4 9134 B9R0.47 CSCCNC(=O)C(C)C 1626a_100020590264_100000210198 [1,1,0,0,0,0|2,0,0]=4 9135 B9R0.47 CSCCNC(=O)C(C)C 240690a_100020590264_100000210198 [1,1,0,0,0,0|2,0,0]=4 9136 B9R0.47 CSCCNC(=O)C(C)C 527a_100020590264_100000210198 [1,1,0,0,0,0|2,0,0]=4 9137 B9R0.47 CSCCNC(=O)C(C)F 11a_100020590264_100000062450 [1,1,0,0,0,0|2,0,0]=4 9138 B9R0.47 CSCCNC(=O)C(C)F 1626a_100020590264_100000062450 [1,1,0,0,0,0|2,0,0]=4 9139 B9R0.47 CSCCNC(=O)C(C)F 240690a_100020590264_100000062450 [1,1,0,0,0,0|2,0,0]=4 9140 B9R0.47 CSCCNC(=O)C(C)F 527a_100020590264_100000062450 [1,1,0,0,0,0|2,0,0]=4 9141 B9R0.47 CSCCNC(=O)[C@@H](C)O 240690a_100020590264_100000717761 [1,1,0,0,0,0|2,0,0]=4 9142 B9R0.47 CSCCNC(=O)[C@H](C)O 1626a_100020590264_217856618621 [1,1,0,0,0,0|2,0,0]=4 9143 B9R0.47 CSCCNC(=O)[C@H](C)O 240690a_100020590264_217856618621 [1,1,0,0,0,0|2,0,0]=4 9144 B9R0.47 CSCSCC(=O)C(C)C 62a_100000753385_100011218213 [1,1,0,0,0,0|2,0,0]=4 9145 B9R0.47 CSCSCC(=O)C(C)C 62a_100011218213_100000753385 [1,1,0,0,0,0|2,0,0]=4 9146 B9R0.47 C[C@@H](O)C(=O)CCCC#N 1458a_100000717761_100000211468 [1,1,0,0,0,0|1,0,1]=4 9147 B9R0.47 C[C@@H](O)C(=O)CCCCF 1458a_100000717761_100000729493 [1,1,0,0,0,0|1,0,0]=3 9148 B9R0.47 C[C@@H](O)C(=O)CCCCO 1458a_100000717761_100000210776 [1,1,0,0,0,0|1,0,0]=3 9149 B9R0.47 C[C@@H](O)C(=O)NCCCF 240690a_100015189416_100000717761 [1,1,0,0,0,0|2,0,0]=4 9150 B9R0.47 C[C@@H](O)C(=O)NCCCO 240690a_100000182051_100000717761 [1,1,0,0,0,0|2,0,0]=4 9151 B9R0.47 C[C@H](O)C(=O)CCCC#N 1458a_217856618621_100000211468 [1,1,0,0,0,0|1,0,1]=4 9152 B9R0.47 C[C@H](O)C(=O)CCCCF 1458a_217856618621_100000729493 [1,1,0,0,0,0|1,0,0]=3 9153 B9R0.47 C[C@H](O)C(=O)CCCCO 1458a_217856618621_100000210776 [1,1,0,0,0,0|1,0,0]=3 9154 B9R0.47 C[C@H](O)C(=O)NCCCF 1626a_100015189416_217856618621 [1,1,0,0,0,0|2,0,0]=4 9155 B9R0.47 C[C@H](O)C(=O)NCCCF 240690a_100015189416_217856618621 [1,1,0,0,0,0|2,0,0]=4 9156 B9R0.47 C[C@H](O)C(=O)NCCCO 240690a_100000182051_217856618621 [1,1,0,0,0,0|2,0,0]=4 9157 B9R0.47 O=C(CCCCF)C(O)O 1458a_100000233687_100000729493 [1,1,0,0,0,0|2,0,0]=4 9158 B9R0.47 O=C(CCCCO)C(O)O 1458a_100000233687_100000210776 [1,1,0,0,0,0|2,0,0]=4 9159 B9R0.50 CCCCCC(CC)NC 270004a_106832991635_100011215316 [1,1,0,0,0,0|1,0,1]=4 9160 B9R0.50 CCCCCC(CC)OC 34a_100011215405_200000210301 [1,1,0,0,0,0|0,0,2]=4 9161 B9R0.50 CCCCCC(CC)OC 7a_100011215405_200000210301 [1,1,0,0,0,0|0,0,2]=4 9162 B9R0.50 CCCCCC(CC)O[13CH3] 34a_100011215405_200025704644 [1,1,0,0,0,0|0,0,2]=4 9163 B9R0.50 CCCCCC(CC)O[13CH3] 7a_100011215405_200025704644 [1,1,0,0,0,0|0,0,2]=4 9164 B9R0.50 CCCCCN(CC)CC 2230a_100000724800_100000210326 [1,1,0,0,0,0|2,0,0]=4 9165 B9R0.50 CCCCCN(CC)CC 269956a_100000042499_100000210326 [1,1,0,0,0,0|2,0,0]=4 9166 B9R0.50 CCCCCN(CC)CC 269982a_100000724800_100000210215 [1,1,0,0,0,0|2,0,0]=4 9167 B9R0.4 C=C(C)CC(=O)CCCC 1458a_100000210183_100000748629 [1,1,0,0,0,0|1,0,1]=4 9168 B9R0.4 C=C(C)CN(C)CCCC 2230a_100000207549_100000748629 [1,1,0,0,0,0|2,0,0]=4 9169 B9R0.4 C=C(C)CN(C)CCCC 2230a_100000225649_100000210211 [1,1,0,0,0,0|2,0,0]=4 9170 B9R0.4 C=C(C)CN(C)CCCC 269982a_100000207549_100000748629 [1,1,0,0,0,0|2,0,0]=4 9171 B9R0.4 C=C(C)CN(C)CCCC 269982a_100000225649_100000210211 [1,1,0,0,0,0|2,0,0]=4 9172 B9R0.4 CCCCC(=O)CC(=O)N 1458a_100000210183_100000187820 [1,1,0,0,0,0|1,0,1]=4 9173 B9R0.4 CCCCC(=O)CC(=O)N 1458a_100134613110_100000210211 [1,1,0,0,0,0|1,0,1]=4 9174 B9R0.4 CCCCC(=O)CC(=O)[O-] 1458a_100000210183_100020667443 [1,1,0,0,0,0|1,0,1]=4 9175 B9R0.4 CCCCC(C)NC(=O)C 11a_100000126638_100015343762 [1,1,0,0,0,0|1,0,0]=3 9176 B9R0.4 CCCCC(C)NC(=O)C 1626a_100000126638_100015343762 [1,1,0,0,0,0|1,0,0]=3 9177 B9R0.4 CCCCC(C)NC(=O)C 240690a_100000126638_100015343762 [1,1,0,0,0,0|1,0,0]=3 9178 B9R0.4 CCCCC(C)NC(=O)C 527a_100000126638_100103153847 [1,1,0,0,0,0|1,0,0]=3 9179 B9R0.4 CCCCN(C)CC(=O)N 2230a_100000207549_100000747473 [1,1,0,0,0,0|2,0,0]=4 9180 B9R0.4 CCCCN(C)CC(=O)N 2230a_100000739694_100000210211 [1,1,0,0,0,0|2,0,0]=4 9181 B9R0.4 CCCCN(C)CC(=O)N 269982a_100000207549_100000187820 [1,1,0,0,0,0|2,0,0]=4 9182 B9R0.4 CCCCN(C)CC(=O)O 269956a_100000746989_100000210211 [1,1,0,0,0,0|2,0,0]=4 9183 B9R0.4 CCCCN(C)CC(=O)[O-] 269982a_100000207549_100020667443 [1,1,0,0,0,0|2,0,0]=4 9184 B9R0.4 CCCNC(=O)CC(=O)C 1458a_100000070787_100000183358 [1,1,0,0,0,0|1,0,1]=4 9185 B9R0.4 CCCOC(=O)CC(=O)C 1458a_100000070787_200011215008 [1,1,0,0,0,0|1,0,1]=4 9186 B9R0.4 CCCSC(C)OC(=O)C 62a_100000210303_100009818208 [1,1,0,0,0,0|2,0,0]=4 9187 B9R0.4 CCCSC(C)OC(=O)C 62a_100009818208_100000210303 [1,1,0,0,0,0|2,0,0]=4 9188 B9R0.4 CCNCC(O)CC(=O)O 269956a_100011218706_100000210202 [1,1,0,0,0,0|2,0,0]=4 9189 B9R0.38 CCCCCNS(=O)(=O)C 40a_100000209983_100000738038 [1,1,0,0,0,0|2,0,0]=4 9190 B9R0.38 CCCNCCS(=O)(=O)C 2230a_100000740961_100000210303 [1,1,0,0,0,0|2,0,0]=4 9191 B9R0.38 CCCNCCS(=O)(=O)C 34a_100000740961_100000210303 [1,1,0,0,0,0|2,0,0]=4 9192 B9R0.38 CCCOCCS(=O)(=O)C 34a_100000210258_100000731031 [1,1,0,0,0,0|2,0,0]=4 9193 B9R0.38 CCCOCCS(=O)(=O)C 34a_100000211924_100000210303 [1,1,0,0,0,0|2,0,0]=4 9194 B9R0.38 CCCOCCS(=O)(=O)C 7a_100000211924_100000210303 [1,1,0,0,0,0|2,0,0]=4 9195 B9R0.38 CCCSCCS(=O)(=O)C 62a_100000210303_100000230027 [1,1,0,0,0,0|2,0,0]=4 9196 B9R0.38 CCCSCCS(=O)(=O)C 62a_100000731031_100000210303 [1,1,0,0,0,0|2,0,0]=4 9197 B9R0.38 CCNCCCS(=O)(=O)C 2230a_100000742409_100000210202 [1,1,0,0,0,0|2,0,0]=4 9198 B9R0.38 CCNCCCS(=O)(=O)C 2230a_100015525214_100000754308 [1,1,0,0,0,0|2,0,0]=4 9199 B9R0.38 CCNCCCS(=O)(=O)C 34a_100000742409_100000210202 [1,1,0,0,0,0|2,0,0]=4 9200 B9R0.38 CCOCCCS(=O)(=O)C 34a_100000689940_100000210202 [1,1,0,0,0,0|2,0,0]=4 9201 B9R0.38 CCOCCCS(=O)(=O)C 34a_100121572206_100000754308 [1,1,0,0,0,0|2,0,0]=4 9202 B9R0.38 CCOCCCS(=O)(=O)C 7a_100000689940_100000210202 [1,1,0,0,0,0|2,0,0]=4 9203 B9R0.38 CCSCCCS(=O)(=O)C 62a_100000210202_100000754308 [1,1,0,0,0,0|2,0,0]=4 9204 B9R0.38 CCSCCCS(=O)(=O)C 62a_100000754308_100000210202 [1,1,0,0,0,0|2,0,0]=4 9205 B9R0.48 C=C(C)CCC(=O)CCC 1458a_100000211992_100000730704 [1,1,0,0,0,0|1,0,1]=4 9206 B9R0.48 C=C(C)CCC(=O)CCC 1458a_200000688413_100000210303 [1,1,0,0,0,0|1,0,1]=4 9207 B9R0.48 C=C(C)CCC(C)NCC 270004a_100015525214_100011215600 [1,1,0,0,0,0|2,0,0]=4 9208 B9R0.48 C=C(C)CCN(C)CCC 2230a_100000747261_100000730704 [1,1,0,0,0,0|2,0,0]=4 9209 B9R0.48 C=C(C)CCN(C)CCC 269982a_100000747261_100000730704 [1,1,0,0,0,0|2,0,0]=4 9210 B9R0.48 C=C(C)CNC(C)CCC 2230a_100000741246_100000748629 [1,1,0,0,0,0|2,0,0]=4 9211 B9R0.48 C=C(C)COC(C)CCC 34a_100000210245_100000766640 [1,1,0,0,0,0|2,0,0]=4 9212 B9R0.48 C=C(C)COC(C)CCC 34a_100000764384_100000748629 [1,1,0,0,0,0|2,0,0]=4 9213 B9R0.48 C=C(C)COC(C)CCC 7a_100000764384_100000748629 [1,1,0,0,0,0|2,0,0]=4 9214 B9R0.48 C=C(C)CSC(C)CCC 62a_100000748629_100000766640 [1,1,0,0,0,0|2,0,0]=4 9215 B9R0.48 C=C(C)CSC(C)CCC 62a_100000766640_100000211660 [1,1,0,0,0,0|2,0,0]=4 9216 B9R0.48 CC(=O)CCN(C)CCO 269982a_100000210263_100000053229 [1,1,0,0,0,0|2,0,0]=4 9217 B9R0.48 CC(=O)COC(C)CCO 34a_100000211253_100009893172 [1,1,0,0,0,0|2,0,0]=4 9218 B9R0.48 CC(=O)OCC(O)CS[13CH3] 62a_200000139349_200025704644 [1,1,0,0,0,0|2,0,0]=4 9219 B9R0.48 CC(=O)OCC(O)CS[13CH3] 62a_200025704644_200000139349 [1,1,0,0,0,0|2,0,0]=4 9220 B9R0.48 CC(=O)SCC(C)CS[13CH3] 62a_200000116872_200025704644 [1,1,0,0,0,0|2,0,0]=4 9221 B9R0.48 CC(=O)SCC(C)CS[13CH3] 62a_200025704644_200000116872 [1,1,0,0,0,0|2,0,0]=4 9222 B9R0.48 CCCC(=O)CCC(=O)N 1458a_100011215257_100000210303 [1,1,0,0,0,0|1,0,1]=4 9223 B9R0.48 CCCC(=O)CNC(=O)C 1458a_100000194580_100000210303 [1,1,0,0,0,0|1,0,1]=4 9224 B9R0.48 CCCC(=O)COC(=O)C 1458a_100000183556_100000210303 [1,1,0,0,0,0|1,0,1]=4 9225 B9R0.48 CCCC(=O)CSC(=O)C 1458a_100000049016_100000210303 [1,1,0,0,0,0|1,0,1]=4 9226 B9R0.48 CCCC(=O)OCC(=O)C 1458a_100000070787_100000034017 [1,1,0,0,0,0|1,0,1]=4 9227 B9R0.48 CCCC(C)NCC(=O)N 2230a_100000711301_100000766640 [1,1,0,0,0,0|2,0,0]=4 9228 B9R0.48 CCCC(C)NCC(=O)N 2230a_100000741246_100000747473 [1,1,0,0,0,0|2,0,0]=4 9229 B9R0.48 CCCC(C)NCC(=O)O 269956a_100016091260_100000766640 [1,1,0,0,0,0|2,0,0]=4 9230 B9R0.48 CCCC(C)OCC(=O)C 34a_100000211253_100000766640 [1,1,0,0,0,0|1,0,0]=3 9231 B9R0.48 CCCC(C)OCC(=O)N 34a_100000764384_100000187820 [1,1,0,0,0,0|2,0,0]=4 9232 B9R0.48 CCCC(C)OCC(=O)N 7a_100000764384_100000187820 [1,1,0,0,0,0|2,0,0]=4 9233 B9R0.48 CCCC(C)OCC(=O)[O-] 34a_100000764384_100020667443 [1,1,0,0,0,0|2,0,0]=4 9234 B9R0.48 CCCC(C)SCC(=O)N 62a_100000747473_100000766640 [1,1,0,0,0,0|2,0,0]=4 9235 B9R0.48 CCCC(C)SCC(=O)N 62a_100000766640_100000747473 [1,1,0,0,0,0|2,0,0]=4 9236 B9R0.48 CCCC(C)SCC(=O)[O-] 62a_100000766640_100020667443 [1,1,0,0,0,0|2,0,0]=4 9237 B9R0.48 CCCC(C)SCC(=O)[O-] 62a_100020667443_100000766640 [1,1,0,0,0,0|2,0,0]=4 9238 B9R0.48 CCCN(C)CCC(=O)C 269982a_100000747261_100000053229 [1,1,0,0,0,0|1,0,0]=3 9239 B9R0.48 CCCN(C)CCC(=O)N 2230a_100000730477_100000210303 [1,1,0,0,0,0|2,0,0]=4 9240 B9R0.48 CCCN(C)CCC(=O)N 2230a_100000747261_100000744528 [1,1,0,0,0,0|2,0,0]=4 9241 B9R0.48 CCCN(C)CCC(=O)N 269982a_100000747261_100000744528 [1,1,0,0,0,0|2,0,0]=4 9242 B9R0.48 CCCN(C)COC(=O)C 269982a_100000747261_100000076356 [1,1,0,0,0,0|2,0,0]=4 9243 B9R0.48 CCNC(=O)CCC(=O)C 1458a_100000199579_200000210301 [1,1,0,0,0,0|1,0,1]=4 9244 B9R0.48 CCNC(=O)CCC(=O)[13CH3] 1458a_100000199579_200025704644 [1,1,0,0,0,0|1,0,1]=4 9245 B9R0.48 CCNC(C)COC(=O)C 270004a_100015525214_100000000629 [1,1,0,0,0,0|2,0,0]=4 9246 B9R0.48 CCOC(=O)CCC(=O)C 1458a_100000183558_200000210301 [1,1,0,0,0,0|1,0,1]=4 9247 B9R0.48 CCOC(=O)CCC(=O)[13CH3] 1458a_100000183558_200025704644 [1,1,0,0,0,0|1,0,1]=4 9248 B9R0.48 CNCC(C)CSC(=O)C 2230a_106832991635_200000116872 [1,1,0,0,0,0|2,0,0]=4 9249 B9R0.48 CNCC(C)CSC(=O)C 34a_100102657272_200000116872 [1,1,0,0,0,0|2,0,0]=4 9250 B9R0.48 CNCC(C)CSC(=O)C 7a_106832991635_200000116872 [1,1,0,0,0,0|2,0,0]=4 9251 B9R0.48 CNCC(O)COC(=O)C 34a_100102657272_200000139349 [1,1,0,0,0,0|2,0,0]=4 9252 B9R0.48 CNCC(O)COC(=O)C 7a_106832991635_200000139349 [1,1,0,0,0,0|2,0,0]=4 9253 B9R0.48 COCC(C)CSC(=O)C 34a_100138415774_200000116872 [1,1,0,0,0,0|2,0,0]=4 9254 B9R0.48 COCC(C)OCC(=O)C 34a_100000211253_100000765312 [1,1,0,0,0,0|2,0,0]=4 9255 B9R0.48 COCC(O)CNC(=O)C 240690a_100000756049_100015343762 [1,1,0,0,0,0|2,0,0]=4 9256 B9R0.48 COCC(O)CNC(=O)C 527a_100000756049_100103153847 [1,1,0,0,0,0|2,0,0]=4 9257 B9R0.48 COCC(O)COC(=O)C 34a_100138415774_200000139349 [1,1,0,0,0,0|2,0,0]=4 9258 B9R0.48 CSCC(C)CSC(=O)C 62a_200000116872_200000210301 [1,1,0,0,0,0|2,0,0]=4 9259 B9R0.48 CSCC(C)CSC(=O)C 62a_200000210301_200000116872 [1,1,0,0,0,0|2,0,0]=4 9260 B9R0.48 CSCC(O)COC(=O)C 62a_200000139349_200000210301 [1,1,0,0,0,0|2,0,0]=4 9261 B9R0.48 CSCC(O)COC(=O)C 62a_200000210301_200000139349 [1,1,0,0,0,0|2,0,0]=4 9262 B9R0.55 C=C(C)CCNCC(C)C 2230a_100000210953_100000730704 [1,1,0,0,0,0|2,0,0]=4 9263 B9R0.55 C=C(C)CCNCC(C)C 34a_100000210953_100000730704 [1,1,0,0,0,0|2,0,0]=4 9264 B9R0.55 C=C(C)CCNCC(C)O 2230a_100000210904_100000730704 [1,1,0,0,0,0|2,0,0]=4 9265 B9R0.55 C=C(C)CCNCC(C)O 34a_100000210904_100000730704 [1,1,0,0,0,0|2,0,0]=4 9266 B9R0.55 C=C(C)CCOCC(=O)C 34a_100000211253_100000730704 [1,1,0,0,0,0|1,0,1]=4 9267 B9R0.55 C=C(C)CCOCC(C)Br 34a_100012180447_100000730704 [1,1,0,0,0,0|2,0,0]=4 9268 B9R0.55 C=C(C)CCOCC(C)C 34a_100000210257_100000730704 [1,1,0,0,0,0|2,0,0]=4 9269 B9R0.55 C=C(C)CCOCC(C)C 34a_100000764851_100000210624 [1,1,0,0,0,0|2,0,0]=4 9270 B9R0.55 C=C(C)CCOCC(C)F 34a_100015925927_100000730704 [1,1,0,0,0,0|2,0,0]=4 9271 B9R0.55 C=C(C)CCOCC(C)O 34a_100000764851_100011218427 [1,1,0,0,0,0|2,0,0]=4 9272 B9R0.55 C=C(C)CCOC[C@@H](C)Cl 34a_100016084084_100000730704 [1,1,0,0,0,0|2,0,0]=4 9273 B9R0.55 C=C(C)CCOC[C@@H](C)N 34a_100000737577_100000730704 [1,1,0,0,0,0|2,0,0]=4 9274 B9R0.55 C=C(C)CCOC[C@@H](C)O 34a_100000764851_100009817552 [1,1,0,0,0,0|2,0,0]=4 9275 B9R0.55 C=C(C)CCSCC(C)C 62a_100000210624_100000730704 [1,1,0,0,0,0|2,0,0]=4 9276 B9R0.55 C=C(C)CCSCC(C)C 62a_100000730704_100000210760 [1,1,0,0,0,0|2,0,0]=4 9277 B9R0.55 C=C(C)CCSCC(C)O 62a_100000730704_100011218427 [1,1,0,0,0,0|2,0,0]=4 9278 B9R0.55 C=C(C)CCSCC(C)O 62a_100011218427_100000730704 [1,1,0,0,0,0|2,0,0]=4 9279 B9R0.55 C=C(C)CCSC[C@@H](C)O 62a_100000730704_100009817552 [1,1,0,0,0,0|2,0,0]=4 9280 B9R0.55 C=C(C)CCSC[C@@H](C)O 62a_100009817552_100000730704 [1,1,0,0,0,0|2,0,0]=4 9281 B9R0.55 C=C(C)CNCCC(C)O 2230a_200000755665_100000748629 [1,1,0,0,0,0|2,0,0]=4 9282 B9R0.55 C=C(C)COCCC(=O)C 34a_100000759926_100000748629 [1,1,0,0,0,0|1,0,1]=4 9283 B9R0.55 C=C(C)COCCC(=O)C 7a_100000759926_100000748629 [1,1,0,0,0,0|1,0,1]=4 9284 B9R0.55 C=C(C)COCCC(C)Br 34a_100009893172_100000748629 [1,1,0,0,0,0|2,0,0]=4 9285 B9R0.55 C=C(C)COCCC(C)C 34a_100000210245_100000210312 [1,1,0,0,0,0|2,0,0]=4 9286 B9R0.55 C=C(C)COCCC(C)C 34a_100000210254_100000748629 [1,1,0,0,0,0|2,0,0]=4 9287 B9R0.55 C=C(C)COCCC(C)C 7a_100000210254_100000748629 [1,1,0,0,0,0|2,0,0]=4 9288 B9R0.55 C=C(C)COCCC(C)O 34a_100000210245_100012276601 [1,1,0,0,0,0|2,0,0]=4 9289 B9R0.55 C=C(C)COCC[C@@H](C)N 34a_100000706166_100000748629 [1,1,0,0,0,0|2,0,0]=4 9290 B9R0.55 C=C(C)CSCCC(=O)C 62a_100000053229_100000211660 [1,1,0,0,0,0|1,0,1]=4 9291 B9R0.55 C=C(C)CSCCC(=O)C 62a_100000748629_100000053229 [1,1,0,0,0,0|1,0,1]=4 9292 B9R0.55 C=C(C)CSCCC(C)C 62a_100000210312_100000211660 [1,1,0,0,0,0|2,0,0]=4 9293 B9R0.55 C=C(C)CSCCC(C)C 62a_100000748629_100000210312 [1,1,0,0,0,0|2,0,0]=4 9294 B9R0.55 C=C(C)CSCCC(C)O 62a_100000748629_100012276601 [1,1,0,0,0,0|2,0,0]=4 9295 B9R0.55 C=C(C)CSCCC(C)O 62a_100012276601_100000211660 [1,1,0,0,0,0|2,0,0]=4 9296 B9R0.55 CC(=O)CCCCB(O)O 1458a_100000070787_200009817182 [1,1,0,0,0,0|2,0,0]=4 9297 B9R0.55 CC(=O)CCCCC(=O)C 1458a_100000070787_100000735457 [1,1,0,0,0,0|0,0,1]=3 9298 B9R0.55 CC(=O)CCCCC(C)C 1458a_100000070787_100011216152 [1,1,0,0,0,0|0,0,0]=2 9299 B9R0.55 CC(=O)CCCCC(C)C 1458a_100011933920_200000210301 [1,1,0,0,0,0|0,0,0]=2 9300 B9R0.55 CC(=O)CCCCN(C)C 269982a_100102631434_100000735457 [1,1,0,0,0,0|1,0,0]=3 9301 B9R0.55 CC(=O)CCCNC(=O)C 1458a_100000194741_200000210301 [1,1,0,0,0,0|1,0,1]=4 9302 B9R0.55 CC(=O)CCCNC(C)C 34a_100138425928_100000685027 [1,1,0,0,0,0|1,0,0]=3 9303 B9R0.55 CC(=O)CCCOC(=O)C 1458a_100000070787_100000042594 [1,1,0,0,0,0|1,0,1]=4 9304 B9R0.55 CC(=O)CCCOC(=S)C 1458a_100000070787_200135323944 [1,1,0,0,0,0|1,0,1]=4 9305 B9R0.55 CC(=O)CCCOC(C)C 34a_100000212225_100000685027 [1,1,0,0,0,0|1,0,0]=3 9306 B9R0.55 CC(=O)CCCOC(C)C 34a_100000759063_100000210206 [1,1,0,0,0,0|1,0,0]=3 9307 B9R0.55 CC(=O)CCCOC(C)C 7a_100000759063_100000210206 [1,1,0,0,0,0|1,0,0]=3 9308 B9R0.55 CC(=O)CCCSC(=O)C 1458a_100000070787_100000038929 [1,1,0,0,0,0|1,0,1]=4 9309 B9R0.55 CC(=O)CCCSC(C)C 62a_100000210206_100011215641 [1,1,0,0,0,0|1,0,0]=3 9310 B9R0.55 CC(=O)CCCSC(C)C 62a_100011215641_100000210206 [1,1,0,0,0,0|1,0,0]=3 9311 B9R0.55 CC(=O)CCOCC(C)C 34a_100000759926_100000210624 [1,1,0,0,0,0|1,0,0]=3 9312 B9R0.55 CC(=O)CCOCC(C)C 7a_100000759926_100000210760 [1,1,0,0,0,0|1,0,0]=3 9313 B9R0.55 CC(=O)CCOCC(C)O 34a_100000759926_100011218427 [1,1,0,0,0,0|1,0,0]=3 9314 B9R0.55 CC(=O)CCOCC(C)O 7a_100000759926_100011218427 [1,1,0,0,0,0|1,0,0]=3 9315 B9R0.55 CC(=O)CCOCC(F)F 1458a_100000070787_200012177212 [1,1,0,0,0,0|2,0,0]=4 9316 B9R0.55 CC(=O)CCOCC(F)F 34a_100000759926_100011934356 [1,1,0,0,0,0|2,0,0]=4 9317 B9R0.55 CC(=O)CCOCC(F)F 7a_100000759926_100011934356 [1,1,0,0,0,0|2,0,0]=4 9318 B9R0.55 CC(=O)CCOC[C@@H](C)O 34a_100000759926_100009817552 [1,1,0,0,0,0|1,0,0]=3 9319 B9R0.55 CC(=O)CCOC[C@@H](C)O 7a_100000759926_100009817552 [1,1,0,0,0,0|1,0,0]=3 9320 B9R0.55 CC(=O)CCSCC(C)C 62a_100000053229_100000210760 [1,1,0,0,0,0|1,0,0]=3 9321 B9R0.55 CC(=O)CCSCC(C)C 62a_100000210624_100000053229 [1,1,0,0,0,0|1,0,0]=3 9322 B9R0.55 CC(=O)CCSCC(C)O 62a_100000053229_100011218427 [1,1,0,0,0,0|1,0,0]=3 9323 B9R0.55 CC(=O)CCSCC(C)O 62a_100011218427_100000053229 [1,1,0,0,0,0|1,0,0]=3 9324 B9R0.55 CC(=O)CCSCC(F)F 62a_100000053229_100011934356 [1,1,0,0,0,0|2,0,0]=4 9325 B9R0.55 CC(=O)CCSCC(F)F 62a_100011934356_100000053229 [1,1,0,0,0,0|2,0,0]=4 9326 B9R0.55 CC(=O)CCSC[C@@H](C)O 62a_100000053229_100009817552 [1,1,0,0,0,0|1,0,0]=3 9327 B9R0.55 CC(=O)CCSC[C@@H](C)O 62a_100009817552_100000053229 [1,1,0,0,0,0|1,0,0]=3 9328 B9R0.55 CC(=O)COCCC(C)C 34a_100000211253_100000210312 [1,1,0,0,0,0|1,0,0]=3 9329 B9R0.55 CC(=O)COCCC(C)O 34a_100000211253_100012276601 [1,1,0,0,0,0|1,0,0]=3 9330 B9R0.55 CC(=O)COCOC(C)C 34a_100000211253_100000709892 [1,1,0,0,0,0|2,0,0]=4 9331 B9R0.55 CC(=O)NCCCC(=O)[13CH3] 1458a_100000194741_200025704644 [1,1,0,0,0,0|1,0,1]=4 9332 B9R0.55 CC(=O)NCCCC(C)C 11a_200000737386_100015343762 [1,1,0,0,0,0|1,0,0]=3 9333 B9R0.55 CC(=O)NCCCC(C)C 1626a_200000737386_100015343762 [1,1,0,0,0,0|1,0,0]=3 9334 B9R0.55 CC(=O)NCCCC(C)C 240690a_200000737386_100015343762 [1,1,0,0,0,0|1,0,0]=3 9335 B9R0.55 CC(=O)NCCCC(C)C 527a_200000737386_100103153847 [1,1,0,0,0,0|1,0,0]=3 9336 B9R0.55 CC(=O)NCCCN(C)C 240690a_102531767803_100015343762 [1,1,0,0,0,0|2,0,0]=4 9337 B9R0.55 CC(=O)NCCCN(C)C 527a_102531767803_100103153847 [1,1,0,0,0,0|2,0,0]=4 9338 B9R0.55 CC(=O)NCCCS(=O)C 11a_200000753449_100015343762 [1,1,0,0,0,0|2,0,0]=4 9339 B9R0.55 CC(=O)NCCCS(=O)C 240690a_200000753449_100015343762 [1,1,0,0,0,0|2,0,0]=4 9340 B9R0.55 CC(=O)NCCCS(=O)C 527a_200000753449_100103153847 [1,1,0,0,0,0|2,0,0]=4 9341 B9R0.55 CC(=O)NCCNC(C)C 2230a_100000209853_100000210206 [1,1,0,0,0,0|2,0,0]=4 9342 B9R0.55 CC(=O)NCCNC(C)C 2230a_100138425928_100000189650 [1,1,0,0,0,0|2,0,0]=4 9343 B9R0.55 CC(=O)NCCOC(C)C 11a_100000701111_100015343762 [1,1,0,0,0,0|2,0,0]=4 9344 B9R0.55 CC(=O)NCCOC(C)C 1626a_100000701111_100015343762 [1,1,0,0,0,0|2,0,0]=4 9345 B9R0.55 CC(=O)NCCOC(C)C 240690a_100000701111_100015343762 [1,1,0,0,0,0|2,0,0]=4 9346 B9R0.55 CC(=O)NCCOC(C)C 34a_100000158858_100000210206 [1,1,0,0,0,0|2,0,0]=4 9347 B9R0.55 CC(=O)NCCOC(C)C 527a_100000701111_100103153847 [1,1,0,0,0,0|2,0,0]=4 9348 B9R0.55 CC(=O)NCCSC(C)C 11a_100000731138_100015343762 [1,1,0,0,0,0|2,0,0]=4 9349 B9R0.55 CC(=O)NCCSC(C)C 1626a_100000731138_100015343762 [1,1,0,0,0,0|2,0,0]=4 9350 B9R0.55 CC(=O)NCCSC(C)C 240690a_100000731138_100015343762 [1,1,0,0,0,0|2,0,0]=4 9351 B9R0.55 CC(=O)NCCSC(C)C 527a_100000731138_100103153847 [1,1,0,0,0,0|2,0,0]=4 9352 B9R0.55 CC(=O)NCCSC(C)C 62a_100000189650_100000210206 [1,1,0,0,0,0|2,0,0]=4 9353 B9R0.55 CC(=O)NCCSC(C)C 62a_100000210206_100000189650 [1,1,0,0,0,0|2,0,0]=4 9354 B9R0.55 CC(=O)OCCCN(C)C 269982a_100102631434_100000042594 [1,1,0,0,0,0|2,0,0]=4 9355 B9R0.55 CC(=O)OCCNC(C)C 34a_100138425928_100009814007 [1,1,0,0,0,0|2,0,0]=4 9356 B9R0.55 CC(=O)OCCOC(C)C 34a_100000212225_100009814007 [1,1,0,0,0,0|2,0,0]=4 9357 B9R0.55 CC(=O)OCCSC(C)C 62a_100000210206_100009814007 [1,1,0,0,0,0|2,0,0]=4 9358 B9R0.55 CC(=O)OCCSC(C)C 62a_100009814007_100000210206 [1,1,0,0,0,0|2,0,0]=4 9359 B9R0.55 CC(=O)OCNCC(C)C 34a_100000210953_100009813279 [1,1,0,0,0,0|2,0,0]=4 9360 B9R0.55 CC(=O)OCNCC(C)O 34a_100000210904_100009813279 [1,1,0,0,0,0|2,0,0]=4 9361 B9R0.55 CC(=O)OCOCC(C)Br 34a_100012180447_100009813279 [1,1,0,0,0,0|2,0,0]=4 9362 B9R0.55 CC(=O)OCOCC(C)C 34a_100000210257_100009813279 [1,1,0,0,0,0|2,0,0]=4 9363 B9R0.55 CC(=O)OCOCC(C)F 34a_100015925927_100009813279 [1,1,0,0,0,0|2,0,0]=4 9364 B9R0.55 CC(=O)OCOC[C@@H](C)Cl 34a_100016084084_100009813279 [1,1,0,0,0,0|2,0,0]=4 9365 B9R0.55 CC(=O)OCOC[C@@H](C)N 34a_100000737577_100009813279 [1,1,0,0,0,0|2,0,0]=4 9366 B9R0.55 CC(=O)OCSCC(C)C 62a_100000076356_100000210760 [1,1,0,0,0,0|2,0,0]=4 9367 B9R0.55 CC(=O)OCSCC(C)C 62a_100000210624_100000076356 [1,1,0,0,0,0|2,0,0]=4 9368 B9R0.55 CC(=O)OCSCC(C)O 62a_100000076356_100011218427 [1,1,0,0,0,0|2,0,0]=4 9369 B9R0.55 CC(=O)OCSCC(C)O 62a_100011218427_100000076356 [1,1,0,0,0,0|2,0,0]=4 9370 B9R0.55 CC(=O)OCSC[C@@H](C)O 62a_100000076356_100009817552 [1,1,0,0,0,0|2,0,0]=4 9371 B9R0.55 CC(=O)OCSC[C@@H](C)O 62a_100009817552_100000076356 [1,1,0,0,0,0|2,0,0]=4 9372 B9R0.55 CC(=O)SCCCN(C)C 2230a_100102631434_100000038929 [1,1,0,0,0,0|2,0,0]=4 9373 B9R0.55 CC(=O)SCCCN(C)C 269982a_100102631434_100000038929 [1,1,0,0,0,0|2,0,0]=4 9374 B9R0.55 CC(Br)CCOCC(=O)N 34a_100009893172_100000187820 [1,1,0,0,0,0|2,0,0]=4 9375 B9R0.55 CC(Br)CCOCC(=O)[O-] 34a_100009893172_100020667443 [1,1,0,0,0,0|2,0,0]=4 9376 B9R0.55 CC(Br)COCCC(=O)N 34a_100012180447_100000731001 [1,1,0,0,0,0|2,0,0]=4 9377 B9R0.55 CC(C)CCCCC(=O)[13CH3] 1458a_100011933920_200025704644 [1,1,0,0,0,0|0,0,0]=2 9378 B9R0.55 CC(C)CCCCN(C)C 2230a_100102631434_100011216152 [1,1,0,0,0,0|2,0,0]=4 9379 B9R0.55 CC(C)CCCCN(C)C 269982a_100102631434_100011216152 [1,1,0,0,0,0|2,0,0]=4 9380 B9R0.55 CC(C)CCNCC(=O)N 2230a_100000711301_100000210312 [1,1,0,0,0,0|2,0,0]=4 9381 B9R0.55 CC(C)CCNCC(=O)O 269956a_100016091260_100000210312 [1,1,0,0,0,0|2,0,0]=4 9382 B9R0.55 CC(C)CCOCC(=O)N 34a_100000210254_100000187820 [1,1,0,0,0,0|2,0,0]=4 9383 B9R0.55 CC(C)CCOCC(=O)N 7a_100000210254_100000187820 [1,1,0,0,0,0|2,0,0]=4 9384 B9R0.55 CC(C)CCOCC(=O)[O-] 34a_100000210254_100020667443 [1,1,0,0,0,0|2,0,0]=4 9385 B9R0.55 CC(C)CCSCC(=O)N 62a_100000210312_100000747473 [1,1,0,0,0,0|2,0,0]=4 9386 B9R0.55 CC(C)CCSCC(=O)N 62a_100000747473_100000210312 [1,1,0,0,0,0|2,0,0]=4 9387 B9R0.55 CC(C)CCSCC(=O)[O-] 62a_100000210312_100020667443 [1,1,0,0,0,0|2,0,0]=4 9388 B9R0.55 CC(C)CCSCC(=O)[O-] 62a_100020667443_100000210312 [1,1,0,0,0,0|2,0,0]=4 9389 B9R0.55 CC(C)CNCCC(=O)N 2230a_100000210953_100000744528 [1,1,0,0,0,0|2,0,0]=4 9390 B9R0.55 CC(C)CNCCC(=O)N 34a_100000210953_100000731001 [1,1,0,0,0,0|2,0,0]=4 9391 B9R0.55 CC(C)COCCC(=O)N 34a_100000210257_100000731001 [1,1,0,0,0,0|2,0,0]=4 9392 B9R0.55 CC(C)COCCC(=O)N 34a_100000757172_100000210624 [1,1,0,0,0,0|2,0,0]=4 9393 B9R0.55 CC(C)COCCC(=O)N 7a_100000757172_100000210760 [1,1,0,0,0,0|2,0,0]=4 9394 B9R0.55 CC(C)CSCCC(=O)N 62a_100000210624_100000744528 [1,1,0,0,0,0|2,0,0]=4 9395 B9R0.55 CC(C)CSCCC(=O)N 62a_100000744528_100000210760 [1,1,0,0,0,0|2,0,0]=4 9396 B9R0.55 CC(C)NCCCC(=O)N 34a_100000739312_100000210206 [1,1,0,0,0,0|2,0,0]=4 9397 B9R0.55 CC(C)NCCCC(=O)N 34a_100138425928_100102525003 [1,1,0,0,0,0|2,0,0]=4 9398 B9R0.55 CC(C)NCCCS(=O)C 2230a_200000753449_100000210206 [1,1,0,0,0,0|2,0,0]=4 9399 B9R0.55 CC(C)OCCCC(=O)N 34a_100000212225_100102525003 [1,1,0,0,0,0|2,0,0]=4 9400 B9R0.55 CC(C)SCCCC(=O)N 62a_100000210206_100102525003 [1,1,0,0,0,0|2,0,0]=4 9401 B9R0.55 CC(C)SCCCC(=O)N 62a_100102525003_100000210206 [1,1,0,0,0,0|2,0,0]=4 9402 B9R0.55 CC(F)COCCC(=O)N 34a_100015925927_100000731001 [1,1,0,0,0,0|2,0,0]=4 9403 B9R0.55 CC(O)CCNCC(=O)N 2230a_100000711301_100012276601 [1,1,0,0,0,0|2,0,0]=4 9404 B9R0.55 CC(O)CCNCC(=O)N 2230a_200000755665_100000747473 [1,1,0,0,0,0|2,0,0]=4 9405 B9R0.55 CC(O)CCNCC(=O)O 269956a_100016091260_100012276601 [1,1,0,0,0,0|2,0,0]=4 9406 B9R0.55 CC(O)CCSCC(=O)N 62a_100000747473_100012276601 [1,1,0,0,0,0|2,0,0]=4 9407 B9R0.55 CC(O)CCSCC(=O)N 62a_100012276601_100000747473 [1,1,0,0,0,0|2,0,0]=4 9408 B9R0.55 CC(O)CCSCC(=O)[O-] 62a_100012276601_100020667443 [1,1,0,0,0,0|2,0,0]=4 9409 B9R0.55 CC(O)CCSCC(=O)[O-] 62a_100020667443_100012276601 [1,1,0,0,0,0|2,0,0]=4 9410 B9R0.55 CC(O)CNCCC(=O)N 2230a_100000210904_100000744528 [1,1,0,0,0,0|2,0,0]=4 9411 B9R0.55 CC(O)CNCCC(=O)N 34a_100000210904_100000731001 [1,1,0,0,0,0|2,0,0]=4 9412 B9R0.55 CC(O)COCCC(=O)N 34a_100000757172_100011218427 [1,1,0,0,0,0|2,0,0]=4 9413 B9R0.55 CC(O)COCCC(=O)N 7a_100000757172_100011218427 [1,1,0,0,0,0|2,0,0]=4 9414 B9R0.55 CC(O)CSCCC(=O)N 62a_100000744528_100011218427 [1,1,0,0,0,0|2,0,0]=4 9415 B9R0.55 CC(O)CSCCC(=O)N 62a_100011218427_100000744528 [1,1,0,0,0,0|2,0,0]=4 9416 B9R0.55 C[C@@H](Cl)COCCC(=O)N 34a_100016084084_100000731001 [1,1,0,0,0,0|2,0,0]=4 9417 B9R0.55 C[C@@H](N)CCOCC(=O)N 34a_100000706166_100000187820 [1,1,0,0,0,0|2,0,0]=4 9418 B9R0.55 C[C@@H](N)CCOCC(=O)[O-] 34a_100000706166_100020667443 [1,1,0,0,0,0|2,0,0]=4 9419 B9R0.55 C[C@@H](N)COCCC(=O)N 34a_100000737577_100000731001 [1,1,0,0,0,0|2,0,0]=4 9420 B9R0.55 C[C@@H](O)COCCC(=O)N 34a_100000757172_100009817552 [1,1,0,0,0,0|2,0,0]=4 9421 B9R0.55 C[C@@H](O)COCCC(=O)N 7a_100000757172_100009817552 [1,1,0,0,0,0|2,0,0]=4 9422 B9R0.55 C[C@@H](O)CSCCC(=O)N 62a_100000744528_100009817552 [1,1,0,0,0,0|2,0,0]=4 9423 B9R0.55 C[C@@H](O)CSCCC(=O)N 62a_100009817552_100000744528 [1,1,0,0,0,0|2,0,0]=4 9424 B11R0.2 C#CCCCCC(=O)CC(=C)C 1458a_100000696528_100000748629 [0,2,0,0,0,0|0,0,2]=4 9425 B11R0.2 C#CCCCCC(=O)CC(C)C 1458a_100000210554_100010269958 [0,2,0,0,0,0|0,0,2]=4 9426 B11R0.2 C#CCCCCC(=O)CC(C)C 1458a_100000696528_100000210624 [0,2,0,0,0,0|0,0,2]=4 9427 B11R0.2 C#CCCCCC(=O)CC(C)O 1458a_100000696528_100011218427 [0,2,0,0,0,0|0,0,2]=4 9428 B11R0.2 C#CCCCCC(=O)CC(F)F 1458a_100000696528_100011934356 [0,2,0,0,0,0|0,0,2]=4 9429 B11R0.2 C#CCCCCC(=O)CN(C)C 1458a_100000750896_100010269958 [0,2,0,0,0,0|0,0,2]=4 9430 B11R0.2 C#CCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100010269958 [0,2,0,0,0,0|0,0,2]=4 9431 B11R0.2 C#CCCCCC(=O)C[S+](C)C 1458a_200159257847_100010269958 [0,2,0,0,0,0|0,0,2]=4 9432 B11R0.2 C#CCCCCC(=O)NC(C)C 11a_100138425928_100000696528 [0,2,0,0,0,0|0,0,2]=4 9433 B11R0.2 C#CCCCCC(=O)NC(C)C 1626a_100138425928_100000696528 [0,2,0,0,0,0|0,0,2]=4 9434 B11R0.2 C#CCCCCC(=O)NC(C)C 240690a_100138425928_100000696528 [0,2,0,0,0,0|0,0,2]=4 9435 B11R0.2 C#CCCCCC(=O)NC(C)C 527a_100138425928_100000696528 [0,2,0,0,0,0|0,0,2]=4 9436 B11R0.2 C=C(C)CC(=O)C/C=C/CCC 1458a_200016266809_100000748629 [0,2,0,0,0,0|0,0,2]=4 9437 B11R0.2 C=C(C)CC(=O)C=CCCCC 1458a_100016266645_100000748629 [0,2,0,0,0,0|0,0,2]=4 9438 B11R0.2 C=C(C)CC(=O)CCCCCC 1458a_100102632555_100000748629 [0,2,0,0,0,0|0,0,0]=2 9439 B11R0.2 C=C(C)CC(=O)CCCCCO 1458a_100102619762_100000748629 [0,2,0,0,0,0|1,0,0]=3 9440 B11R0.2 C=C(C)CC(=O)CCOCCO 1458a_100011229844_100000748629 [0,2,0,0,0,0|2,0,0]=4 9441 B11R0.2 C=C(C)CC(=O)COCCCC 1458a_100000757543_100000748629 [0,2,0,0,0,0|1,0,0]=3 9442 B11R0.2 C=C(C)CC(=O)COCCOC 1458a_100000211095_100000748629 [0,2,0,0,0,0|2,0,0]=4 9443 B11R0.2 C=C(C)CC(=O)CSCCCC 1458a_100000191162_100000748629 [0,2,0,0,0,0|1,0,0]=3 9444 B11R0.2 C=C(C)CN(C)CCCCCC 2230a_100000225649_100000210314 [0,2,0,0,0,0|2,0,0]=4 9445 B11R0.2 C=C(C)CN(C)CCCCCC 2230a_106256046315_100000748629 [0,2,0,0,0,0|2,0,0]=4 9446 B11R0.2 C=C(C)CN(C)CCCCCC 269982a_100000225649_100000210757 [0,2,0,0,0,0|2,0,0]=4 9447 B11R0.2 C=C(C)CN(C)CCCCCC 269982a_106256046315_100000748629 [0,2,0,0,0,0|2,0,0]=4 9448 B11R0.2 C=C(F)CC(=O)CCCCCC 1458a_100102632555_100009893438 [0,2,0,0,0,0|0,0,1]=3 9449 B11R0.2 C=C(F)CC(=O)CCCCCO 1458a_100102619762_100009893438 [0,2,0,0,0,0|1,0,1]=4 9450 B11R0.2 C=C(F)CC(=O)COCCCC 1458a_100000757543_100009893438 [0,2,0,0,0,0|1,0,1]=4 9451 B11R0.2 C=C(F)CC(=O)CSCCCC 1458a_100000191162_100009893438 [0,2,0,0,0,0|1,0,1]=4 9452 B11R0.2 C=CCCCCC(=O)CC(=C)C 1458a_100011215552_100000748629 [0,2,0,0,0,0|0,0,2]=4 9453 B11R0.2 C=CCCCCC(=O)CC(C)C 1458a_100000210554_100011215482 [0,2,0,0,0,0|0,0,2]=4 9454 B11R0.2 C=CCCCCC(=O)CC(C)C 1458a_100011215552_100000210624 [0,2,0,0,0,0|0,0,2]=4 9455 B11R0.2 C=CCCCCC(=O)CC(C)O 1458a_100011215552_100011218427 [0,2,0,0,0,0|0,0,2]=4 9456 B11R0.2 C=CCCCCC(=O)CC(F)F 1458a_100011215552_100011934356 [0,2,0,0,0,0|0,0,2]=4 9457 B11R0.2 C=CCCCCC(=O)CN(C)C 1458a_100000750896_100011215482 [0,2,0,0,0,0|0,0,2]=4 9458 B11R0.2 C=CCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100011215482 [0,2,0,0,0,0|0,0,2]=4 9459 B11R0.2 C=CCCCCC(=O)C[S+](C)C 1458a_200159257847_100011215482 [0,2,0,0,0,0|0,0,2]=4 9460 B11R0.2 C=CCCCCC(=O)NC(C)C 11a_100138425928_100011215552 [0,2,0,0,0,0|0,0,2]=4 9461 B11R0.2 C=CCCCCC(=O)NC(C)C 1626a_100138425928_100011215552 [0,2,0,0,0,0|0,0,2]=4 9462 B11R0.2 C=CCCCCC(=O)NC(C)C 240690a_100138425928_100011215552 [0,2,0,0,0,0|0,0,2]=4 9463 B11R0.2 C=CCCCCC(=O)NC(C)C 527a_100138425928_100011215552 [0,2,0,0,0,0|0,0,2]=4 9464 B11R0.2 CC(=CC(=O)CCCCCF)C 1458a_100000211388_100000729378 [0,2,0,0,0,0|1,0,1]=4 9465 B11R0.2 CC(=CC(=O)CCCCCF)Cl 1458a_200042562850_100000729378 [0,2,0,0,0,0|1,0,1]=4 9466 B11R0.2 CC(=CC(=O)CCCCCF)I 1458a_100025716642_100000729378 [0,2,0,0,0,0|1,0,1]=4 9467 B11R0.2 CC(=CC(=O)CCCCCO)C 1458a_100000211388_100000746330 [0,2,0,0,0,0|1,0,1]=4 9468 B11R0.2 CC(=CC(=O)CCCCCO)Cl 1458a_200042562850_100000746330 [0,2,0,0,0,0|1,0,1]=4 9469 B11R0.2 CC(=CC(=O)CCCCCO)I 1458a_100025716642_100000746330 [0,2,0,0,0,0|1,0,1]=4 9470 B11R0.2 CC(C)CC(=O)CCCCC#N 1458a_100000210554_100000211819 [0,2,0,0,0,0|1,0,1]=4 9471 B11R0.2 CC(C)CC(=O)CCCCCF 1458a_100000210554_100000729378 [0,2,0,0,0,0|1,0,0]=3 9472 B11R0.2 CC(C)CC(=O)CCCCCO 1458a_100000210554_100000746330 [0,2,0,0,0,0|1,0,0]=3 9473 B11R0.2 CC(C)CC(=O)CCCCCO 1458a_100102619762_100000210624 [0,2,0,0,0,0|1,0,0]=3 9474 B11R0.2 CC(C)CC(=O)CCOCCO 1458a_100000210554_100011215305 [0,2,0,0,0,0|2,0,0]=4 9475 B11R0.2 CC(C)CC(=O)CCOCCO 1458a_100011229844_100000210624 [0,2,0,0,0,0|2,0,0]=4 9476 B11R0.2 CC(C)CC(=O)NCCCCO 240690a_100000750430_100000210554 [0,2,0,0,0,0|2,0,0]=4 9477 B11R0.2 CC(C)CC(=O)NCCCCO 527a_100000750430_100000210554 [0,2,0,0,0,0|2,0,0]=4 9478 B11R0.2 CC(C)NC(=O)CCCCCO 240690a_100138425928_100102619762 [0,2,0,0,0,0|1,0,0]=3 9479 B11R0.2 CC(C)NC(=O)CCNCCO 2230a_100016997473_100000737564 [0,2,0,0,0,0|2,0,0]=4 9480 B11R0.2 CC(C)NC(=O)CCOCCO 1626a_100138425928_100011229844 [0,2,0,0,0,0|2,0,0]=4 9481 B11R0.2 CC(C)NC(=O)CCOCCO 240690a_100138425928_100011229844 [0,2,0,0,0,0|2,0,0]=4 9482 B11R0.2 CC(C)NC(=O)CCSCCF 62a_100000737564_100011217306 [0,2,0,0,0,0|2,0,0]=4 9483 B11R0.2 CC(C)NC(=O)CCSCCF 62a_100011217306_100000737564 [0,2,0,0,0,0|2,0,0]=4 9484 B11R0.2 CC(C)NC(=O)CCSCCO 62a_100000211926_100000737564 [0,2,0,0,0,0|2,0,0]=4 9485 B11R0.2 CC(C)NC(=O)CCSCCO 62a_100000737564_100000211926 [0,2,0,0,0,0|2,0,0]=4 9486 B11R0.2 CC(C)NC(=O)CNCCCF 2230a_100000168517_100011934791 [0,2,0,0,0,0|2,0,0]=4 9487 B11R0.2 CC(C)NC(=O)CNCCCF 2230a_100015189416_100000183996 [0,2,0,0,0,0|2,0,0]=4 9488 B11R0.2 CC(C)NC(=O)CNCCCF 34a_100015189416_100000183996 [0,2,0,0,0,0|2,0,0]=4 9489 B11R0.2 CC(C)NC(=O)CNCCCO 2230a_100000168517_100000230001 [0,2,0,0,0,0|2,0,0]=4 9490 B11R0.2 CC(C)NC(=O)COCCCBr 34a_100011217188_100000183996 [0,2,0,0,0,0|2,0,0]=4 9491 B11R0.2 CC(C)NC(=O)COCCCCl 34a_100000230001_100000183996 [0,2,0,0,0,0|2,0,0]=4 9492 B11R0.2 CC(C)NC(=O)COCCCF 34a_100000759539_100000183996 [0,2,0,0,0,0|2,0,0]=4 9493 B11R0.2 CC(C)NC(=O)COCCCN 34a_100000182051_100000183996 [0,2,0,0,0,0|2,0,0]=4 9494 B11R0.2 CC(C)NC(=O)CSCCCF 62a_100000183996_100011934791 [0,2,0,0,0,0|2,0,0]=4 9495 B11R0.2 CC(C)NC(=O)CSCCCF 62a_100011934791_100000183996 [0,2,0,0,0,0|2,0,0]=4 9496 B11R0.2 CC(C)NC(=O)CSCCCO 62a_100000183996_100011215043 [0,2,0,0,0,0|2,0,0]=4 9497 B11R0.2 CC(C)NC(=O)CSCCCO 62a_100011215043_100000183996 [0,2,0,0,0,0|2,0,0]=4 9498 B11R0.2 CC(C)NC(=O)NCCCCO 2708a_100000750430_100138425928 [0,2,0,0,0,0|2,0,0]=4 9499 B11R0.2 CC(C)NC(=O)NCCCCO 2708a_100138425928_100000750430 [0,2,0,0,0,0|2,0,0]=4 9500 B11R0.2 CC(C)NC(=O)NCCCCO 273464a_100138425928_100000750430 [0,2,0,0,0,0|2,0,0]=4 9501 B11R0.2 CC(C)NC(=O)NCCCCO 512a_100000750430_100138425928 [0,2,0,0,0,0|2,0,0]=4 9502 B11R0.2 CC(C)NC(=O)NCCCCO 512a_100138425928_100000750430 [0,2,0,0,0,0|2,0,0]=4 9503 B11R0.2 CC(C)OC(=O)CCNCCO 2230a_100016997473_100000760027 [0,2,0,0,0,0|2,0,0]=4 9504 B11R0.2 CC(C)OC(=O)CCSCCF 62a_100000760027_100011217306 [0,2,0,0,0,0|2,0,0]=4 9505 B11R0.2 CC(C)OC(=O)CCSCCF 62a_100011217306_100000760027 [0,2,0,0,0,0|2,0,0]=4 9506 B11R0.2 CC(C)OC(=O)CCSCCO 62a_100000211926_100000760027 [0,2,0,0,0,0|2,0,0]=4 9507 B11R0.2 CC(C)OC(=O)CCSCCO 62a_100000760027_100000211926 [0,2,0,0,0,0|2,0,0]=4 9508 B11R0.2 CC(C)OC(=O)CNCCCF 2230a_100015189416_100011215430 [0,2,0,0,0,0|2,0,0]=4 9509 B11R0.2 CC(C)OC(=O)CNCCCF 34a_100015189416_100011215430 [0,2,0,0,0,0|2,0,0]=4 9510 B11R0.2 CC(C)OC(=O)COCCCBr 34a_100011217188_100011215430 [0,2,0,0,0,0|2,0,0]=4 9511 B11R0.2 CC(C)OC(=O)COCCCCl 34a_100000230001_100011215430 [0,2,0,0,0,0|2,0,0]=4 9512 B11R0.2 CC(C)OC(=O)COCCCF 34a_100000759539_100011215430 [0,2,0,0,0,0|2,0,0]=4 9513 B11R0.2 CC(C)OC(=O)COCCCN 34a_100000182051_100011215430 [0,2,0,0,0,0|2,0,0]=4 9514 B11R0.2 CC(C)OC(=O)CSCCCF 62a_100011215430_100011934791 [0,2,0,0,0,0|2,0,0]=4 9515 B11R0.2 CC(C)OC(=O)CSCCCF 62a_100011934791_100011215430 [0,2,0,0,0,0|2,0,0]=4 9516 B11R0.2 CC(C)OC(=O)CSCCCO 62a_100011215043_100011215430 [0,2,0,0,0,0|2,0,0]=4 9517 B11R0.2 CC(C)OC(=O)CSCCCO 62a_100011215430_100011215043 [0,2,0,0,0,0|2,0,0]=4 9518 B11R0.2 CC(O)CC(=O)CCCCCO 1458a_100102619762_100011218427 [0,2,0,0,0,0|1,0,0]=3 9519 B11R0.2 CC(O)CC(=O)CCOCCO 1458a_100011229844_100011218427 [0,2,0,0,0,0|2,0,0]=4 9520 B11R0.2 CC/C=C\CCC(=O)CC(C)C 1458a_100000210554_100015370543 [0,2,0,0,0,0|0,0,2]=4 9521 B11R0.2 CC/C=C\CCC(=O)CN(C)C 1458a_100000750896_100015370543 [0,2,0,0,0,0|0,0,2]=4 9522 B11R0.2 CC/C=C\CCC(=O)C[C@@H](C)O 1458a_100011933948_100015370543 [0,2,0,0,0,0|0,0,2]=4 9523 B11R0.2 CC/C=C\CCC(=O)C[S+](C)C 1458a_200159257847_100015370543 [0,2,0,0,0,0|0,0,2]=4 9524 B11R0.2 CCC/C=C/CC(=O)CC(C)C 1458a_200016266809_100000210624 [0,2,0,0,0,0|0,0,2]=4 9525 B11R0.2 CCC/C=C/CC(=O)CC(C)O 1458a_200016266809_100011218427 [0,2,0,0,0,0|0,0,2]=4 9526 B11R0.2 CCC/C=C/CC(=O)CC(F)F 1458a_200016266809_100011934356 [0,2,0,0,0,0|0,0,2]=4 9527 B11R0.2 CCC/C=C/CC(=O)NC(C)C 11a_100138425928_200016266809 [0,2,0,0,0,0|0,0,2]=4 9528 B11R0.2 CCC/C=C/CC(=O)NC(C)C 1626a_100138425928_200016266809 [0,2,0,0,0,0|0,0,2]=4 9529 B11R0.2 CCC/C=C/CC(=O)NC(C)C 240690a_100138425928_200016266809 [0,2,0,0,0,0|0,0,2]=4 9530 B11R0.2 CCC/C=C/CC(=O)NC(C)C 527a_100138425928_200016266809 [0,2,0,0,0,0|0,0,2]=4 9531 B11R0.2 CCCCC=CC(=O)CC(C)C 1458a_100016266645_100000210624 [0,2,0,0,0,0|0,0,2]=4 9532 B11R0.2 CCCCC=CC(=O)CC(C)O 1458a_100016266645_100011218427 [0,2,0,0,0,0|0,0,2]=4 9533 B11R0.2 CCCCC=CC(=O)CC(F)F 1458a_100016266645_100011934356 [0,2,0,0,0,0|0,0,2]=4 9534 B11R0.2 CCCCC=CC(=O)NC(C)C 11a_100138425928_100016266645 [0,2,0,0,0,0|0,0,2]=4 9535 B11R0.2 CCCCC=CC(=O)NC(C)C 1626a_100138425928_100016266645 [0,2,0,0,0,0|0,0,2]=4 9536 B11R0.2 CCCCC=CC(=O)NC(C)C 240690a_100138425928_100016266645 [0,2,0,0,0,0|0,0,2]=4 9537 B11R0.2 CCCCCCC(=O)C=C(C)C 1458a_100000211388_100000210757 [0,2,0,0,0,0|0,0,1]=3 9538 B11R0.2 CCCCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210757 [0,2,0,0,0,0|0,0,1]=3 9539 B11R0.2 CCCCCCC(=O)C=C(C)I 1458a_100025716642_100000210757 [0,2,0,0,0,0|0,0,1]=3 9540 B11R0.2 CCCCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210757 [0,2,0,0,0,0|0,0,2]=4 9541 B11R0.2 CCCCCCC(=O)CC(=O)N 1458a_100102632555_100000187820 [0,2,0,0,0,0|0,0,1]=3 9542 B11R0.2 CCCCCCC(=O)CC(=O)N 1458a_100134613110_100000210757 [0,2,0,0,0,0|0,0,1]=3 9543 B11R0.2 CCCCCCC(=O)CC(=O)[O-] 1458a_100102632555_100020667443 [0,2,0,0,0,0|0,0,1]=3 9544 B11R0.2 CCCCCCC(=O)CC(C)C 1458a_100000210554_100000210757 [0,2,0,0,0,0|0,0,0]=2 9545 B11R0.2 CCCCCCC(=O)CC(C)C 1458a_100102632555_100000210624 [0,2,0,0,0,0|0,0,0]=2 9546 B11R0.2 CCCCCCC(=O)CC(C)O 1458a_100102632555_100011218427 [0,2,0,0,0,0|0,0,0]=2 9547 B11R0.2 CCCCCCC(=O)CC(F)F 1458a_100102632555_100011934356 [0,2,0,0,0,0|0,0,0]=2 9548 B11R0.2 CCCCCCC(=O)CN(C)C 1458a_100000750896_100000210757 [0,2,0,0,0,0|0,0,0]=2 9549 B11R0.2 CCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210757 [0,2,0,0,0,0|0,0,0]=2 9550 B11R0.2 CCCCCCC(=O)C[N+](=O)[O-] 1458a_100102632555_100000761209 [0,2,0,0,0,0|1,0,0]=3 9551 B11R0.2 CCCCCCC(=O)C[S+](C)C 1458a_200159257847_100000210757 [0,2,0,0,0,0|0,0,0]=2 9552 B11R0.2 CCCCCCC(=O)NC(C)C 11a_100138425928_100102632555 [0,2,0,0,0,0|0,0,0]=2 9553 B11R0.2 CCCCCCC(=O)NC(C)C 1626a_100138425928_100102632555 [0,2,0,0,0,0|0,0,0]=2 9554 B11R0.2 CCCCCCC(=O)NC(C)C 240690a_100138425928_100102632555 [0,2,0,0,0,0|0,0,0]=2 9555 B11R0.2 CCCCCCC(=O)NC(C)C 527a_100138425928_100102632555 [0,2,0,0,0,0|0,0,0]=2 9556 B11R0.2 CCCCCCC(C)NC(C)C 2230a_100000210919_100000210206 [0,2,0,0,0,0|1,0,1]=4 9557 B11R0.2 CCCCCCC(C)NC(C)C 2230a_100138425928_100011215978 [0,2,0,0,0,0|1,0,1]=4 9558 B11R0.2 CCCCCCC(C)NC(C)C 34a_100000210919_100000210206 [0,2,0,0,0,0|1,0,1]=4 9559 B11R0.2 CCCCCCC(C)NC(C)C 34a_100138425928_100011215978 [0,2,0,0,0,0|1,0,1]=4 9560 B11R0.2 CCCCCCC(C)OC(C)C 34a_100000210265_100000210206 [0,2,0,0,0,0|1,0,1]=4 9561 B11R0.2 CCCCCCC(C)OC(C)C 34a_100000212225_100011215978 [0,2,0,0,0,0|1,0,1]=4 9562 B11R0.2 CCCCCCC(C)OC(C)C 7a_100000210265_100000210206 [0,2,0,0,0,0|1,0,1]=4 9563 B11R0.2 CCCCCCC(C)SC(C)C 62a_100000210206_100011215978 [0,2,0,0,0,0|1,0,1]=4 9564 B11R0.2 CCCCCCC(C)SC(C)C 62a_100011215978_100000210206 [0,2,0,0,0,0|1,0,1]=4 9565 B11R0.2 CCCCCCN(C)CC(C)C 2230a_100000747067_100000210314 [0,2,0,0,0,0|2,0,0]=4 9566 B11R0.2 CCCCCCN(C)CC(C)C 2230a_106256046315_100000210760 [0,2,0,0,0,0|2,0,0]=4 9567 B11R0.2 CCCCCCN(C)CC(C)C 269982a_100000747067_100000210757 [0,2,0,0,0,0|2,0,0]=4 9568 B11R0.2 CCCCCCN(C)CC(C)C 269982a_106256046315_100000210624 [0,2,0,0,0,0|2,0,0]=4 9569 B11R0.2 CCCCCCN(C)CC(C)C 270004a_106256046315_100000210432 [0,2,0,0,0,0|2,0,0]=4 9570 B11R0.2 CCCCCCN(C)CC(C)O 2230a_100000227577_100000210314 [0,2,0,0,0,0|2,0,0]=4 9571 B11R0.2 CCCCCCN(C)CC(C)O 2230a_106256046315_100011218427 [0,2,0,0,0,0|2,0,0]=4 9572 B11R0.2 CCCCCCN(C)CC(C)O 269982a_100000227577_100000210757 [0,2,0,0,0,0|2,0,0]=4 9573 B11R0.2 CCCCCCN(C)CC(C)O 269982a_106256046315_100011218427 [0,2,0,0,0,0|2,0,0]=4 9574 B11R0.2 CCCCCCN(C)CC(F)F 2230a_106256046315_100011934356 [0,2,0,0,0,0|2,0,0]=4 9575 B11R0.2 CCCCCCN(C)CC(F)F 269982a_106256046315_100011934356 [0,2,0,0,0,0|2,0,0]=4 9576 B11R0.2 CCCCCCN(C)C[C@@H](C)O 2230a_106256046315_100009817552 [0,2,0,0,0,0|2,0,0]=4 9577 B11R0.2 CCCCCCN(C)C[C@@H](C)O 269982a_106256046315_100009817552 [0,2,0,0,0,0|2,0,0]=4 9578 B11R0.2 CCCCCNC(=O)C=C(C)C 11a_100000209983_100000211388 [0,2,0,0,0,0|1,0,1]=4 9579 B11R0.2 CCCCCNC(=O)C=C(C)C 1626a_100000209983_100000211388 [0,2,0,0,0,0|1,0,1]=4 9580 B11R0.2 CCCCCNC(=O)C=C(C)C 240690a_100000209983_100000211388 [0,2,0,0,0,0|1,0,1]=4 9581 B11R0.2 CCCCCNC(=O)C=C(C)Cl 11a_100000209983_200042562850 [0,2,0,0,0,0|1,0,1]=4 9582 B11R0.2 CCCCCNC(=O)C=C(C)Cl 1626a_100000209983_200042562850 [0,2,0,0,0,0|1,0,1]=4 9583 B11R0.2 CCCCCNC(=O)C=C(C)Cl 240690a_100000209983_200042562850 [0,2,0,0,0,0|1,0,1]=4 9584 B11R0.2 CCCCCNC(=O)C=C(C)I 11a_100000209983_100025716642 [0,2,0,0,0,0|1,0,1]=4 9585 B11R0.2 CCCCCNC(=O)C=C(C)I 1626a_100000209983_100025716642 [0,2,0,0,0,0|1,0,1]=4 9586 B11R0.2 CCCCCNC(=O)CC(=O)C 1458a_100000070787_100000230301 [0,2,0,0,0,0|1,0,0]=3 9587 B11R0.2 CCCCCNC(=O)CC(=O)N 240690a_100000209983_100134613110 [0,2,0,0,0,0|1,0,1]=4 9588 B11R0.2 CCCCCNC(=O)CC(=O)N 527a_100000209983_100134613110 [0,2,0,0,0,0|1,0,1]=4 9589 B11R0.2 CCCCCNC(=O)CC(C)C 11a_100000209983_100000210554 [0,2,0,0,0,0|1,0,0]=3 9590 B11R0.2 CCCCCNC(=O)CC(C)C 1626a_100000209983_100000210554 [0,2,0,0,0,0|1,0,0]=3 9591 B11R0.2 CCCCCNC(=O)CC(C)C 240690a_100000209983_100000210554 [0,2,0,0,0,0|1,0,0]=3 9592 B11R0.2 CCCCCNC(=O)CC(C)C 527a_100000209983_100000210554 [0,2,0,0,0,0|1,0,0]=3 9593 B11R0.2 CCCCCNC(=O)CN(C)C 11a_100000209983_100000750896 [0,2,0,0,0,0|1,0,0]=3 9594 B11R0.2 CCCCCNC(=O)CN(C)C 2230a_100102631434_100000230301 [0,2,0,0,0,0|1,0,0]=3 9595 B11R0.2 CCCCCNC(=O)CN(C)C 240690a_100000209983_100000750896 [0,2,0,0,0,0|1,0,0]=3 9596 B11R0.2 CCCCCNC(=O)CN(C)C 269982a_100102631434_100000230301 [0,2,0,0,0,0|1,0,0]=3 9597 B11R0.2 CCCCCNC(=O)CN(C)C 527a_100000209983_100000750896 [0,2,0,0,0,0|1,0,0]=3 9598 B11R0.2 CCCCCNC(=O)C[C@@H](C)O 240690a_100000209983_100011933948 [0,2,0,0,0,0|1,0,0]=3 9599 B11R0.2 CCCCCNC(=O)C[S+](C)C 11a_100000209983_200159257847 [0,2,0,0,0,0|1,0,0]=3 9600 B11R0.2 CCCCCNC(=O)C[S+](C)C 1626a_100000209983_200159257847 [0,2,0,0,0,0|1,0,0]=3 9601 B11R0.2 CCCCCNC(=O)C[S+](C)C 240690a_100000209983_200159257847 [0,2,0,0,0,0|1,0,0]=3 9602 B11R0.2 CCCCCNC(=O)C[S+](C)C 527a_100000209983_200159257847 [0,2,0,0,0,0|1,0,0]=3 9603 B11R0.2 CCCCCNC(=O)NC(C)C 2708a_100000209983_100138425928 [0,2,0,0,0,0|1,0,0]=3 9604 B11R0.2 CCCCCNC(=O)NC(C)C 2708a_100138425928_100000209983 [0,2,0,0,0,0|1,0,0]=3 9605 B11R0.2 CCCCCNC(=O)NC(C)C 273464a_100138425928_100000209983 [0,2,0,0,0,0|1,0,0]=3 9606 B11R0.2 CCCCCNC(=O)NC(C)C 512a_100000209983_100138425928 [0,2,0,0,0,0|1,0,0]=3 9607 B11R0.2 CCCCCNC(=O)NC(C)C 512a_100138425928_100000209983 [0,2,0,0,0,0|1,0,0]=3 9608 B11R0.2 CCCCNCC(=O)NC(=O)C 7a_106832991798_100000183797 [0,2,0,0,0,0|1,0,1]=4 9609 B11R0.2 CCCCNCC(=O)NC(C)C 2230a_100000102301_100000183996 [0,2,0,0,0,0|1,0,0]=3 9610 B11R0.2 CCCCNCC(=O)NC(C)C 2230a_100000168517_100000210211 [0,2,0,0,0,0|1,0,0]=3 9611 B11R0.2 CCCCNCC(=O)NC(C)C 7a_106832991798_100000183996 [0,2,0,0,0,0|1,0,0]=3 9612 B11R0.2 CCCCNCC(=O)OC(C)C 2230a_100000102301_100011215430 [0,2,0,0,0,0|1,0,0]=3 9613 B11R0.2 CCCCNCC(=O)OC(C)C 7a_106832991798_100011215430 [0,2,0,0,0,0|1,0,0]=3 9614 B11R0.2 CCCCNNC(=O)CC(C)C 22a_100025702795_100000210554 [0,2,0,0,0,0|2,0,0]=4 9615 B11R0.2 CCCCNNC(=O)CN(C)C 22a_100025702795_100000750896 [0,2,0,0,0,0|2,0,0]=4 9616 B11R0.2 CCCCNNC(=O)C[C@@H](C)O 22a_100025702795_100011933948 [0,2,0,0,0,0|2,0,0]=4 9617 B11R0.2 CCCCNNC(=O)C[S+](C)C 22a_100025702795_200159257847 [0,2,0,0,0,0|2,0,0]=4 9618 B11R0.2 CCCCNNC(=O)NC(C)C 273464a_100138425928_100025702795 [0,2,0,0,0,0|2,0,0]=4 9619 B11R0.2 CCCCNNC(=O)NC(C)C 512a_100025702795_100138425928 [0,2,0,0,0,0|2,0,0]=4 9620 B11R0.2 CCCCNNC(=O)NC(C)C 512a_100138425928_100025702795 [0,2,0,0,0,0|2,0,0]=4 9621 B11R0.2 CCCCOCC(=O)C=C(C)C 1458a_100000211388_100011995733 [0,2,0,0,0,0|1,0,1]=4 9622 B11R0.2 CCCCOCC(=O)C=C(C)Cl 1458a_200042562850_100011995733 [0,2,0,0,0,0|1,0,1]=4 9623 B11R0.2 CCCCOCC(=O)C=C(C)I 1458a_100025716642_100011995733 [0,2,0,0,0,0|1,0,1]=4 9624 B11R0.2 CCCCOCC(=O)CC(=O)N 1458a_100000757543_100000187820 [0,2,0,0,0,0|1,0,1]=4 9625 B11R0.2 CCCCOCC(=O)CC(=O)N 1458a_100134613110_100011995733 [0,2,0,0,0,0|1,0,1]=4 9626 B11R0.2 CCCCOCC(=O)CC(=O)[O-] 1458a_100000757543_100020667443 [0,2,0,0,0,0|1,0,1]=4 9627 B11R0.2 CCCCOCC(=O)CC(C)C 1458a_100000210554_100011995733 [0,2,0,0,0,0|1,0,0]=3 9628 B11R0.2 CCCCOCC(=O)CC(C)C 1458a_100000757543_100000210624 [0,2,0,0,0,0|1,0,0]=3 9629 B11R0.2 CCCCOCC(=O)CC(C)O 1458a_100000757543_100011218427 [0,2,0,0,0,0|1,0,0]=3 9630 B11R0.2 CCCCOCC(=O)CC(F)F 1458a_100000757543_100011934356 [0,2,0,0,0,0|1,0,0]=3 9631 B11R0.2 CCCCOCC(=O)CN(C)C 1458a_100000750896_100011995733 [0,2,0,0,0,0|1,0,0]=3 9632 B11R0.2 CCCCOCC(=O)C[C@@H](C)O 1458a_100011933948_100011995733 [0,2,0,0,0,0|1,0,0]=3 9633 B11R0.2 CCCCOCC(=O)C[N+](=O)[O-] 1458a_100000757543_100000761209 [0,2,0,0,0,0|2,0,0]=4 9634 B11R0.2 CCCCOCC(=O)C[S+](C)C 1458a_200159257847_100011995733 [0,2,0,0,0,0|1,0,0]=3 9635 B11R0.2 CCCCOCC(=O)NC(=O)C 7a_100000210227_100000183797 [0,2,0,0,0,0|1,0,1]=4 9636 B11R0.2 CCCCOCC(=O)NC(C)C 11a_100138425928_100000757543 [0,2,0,0,0,0|1,0,0]=3 9637 B11R0.2 CCCCOCC(=O)NC(C)C 1626a_100138425928_100000757543 [0,2,0,0,0,0|1,0,0]=3 9638 B11R0.2 CCCCOCC(=O)NC(C)C 240690a_100138425928_100000757543 [0,2,0,0,0,0|1,0,0]=3 9639 B11R0.2 CCCCOCC(=O)NC(C)C 34a_100000210227_100000183996 [0,2,0,0,0,0|1,0,0]=3 9640 B11R0.2 CCCCOCC(=O)NC(C)C 527a_100138425928_100000757543 [0,2,0,0,0,0|1,0,0]=3 9641 B11R0.2 CCCCOCC(=O)NC(C)C 7a_100000210227_100000183996 [0,2,0,0,0,0|1,0,0]=3 9642 B11R0.2 CCCCOCC(=O)OC(C)C 34a_100000210227_100011215430 [0,2,0,0,0,0|1,0,0]=3 9643 B11R0.2 CCCCOCC(=O)OC(C)C 7a_100000210227_100011215430 [0,2,0,0,0,0|1,0,0]=3 9644 B11R0.2 CCCCSCC(=O)CC(=O)N 1458a_100000191162_100000187820 [0,2,0,0,0,0|1,0,1]=4 9645 B11R0.2 CCCCSCC(=O)CC(=O)[O-] 1458a_100000191162_100020667443 [0,2,0,0,0,0|1,0,1]=4 9646 B11R0.2 CCCCSCC(=O)CC(C)C 1458a_100000191162_100000210624 [0,2,0,0,0,0|1,0,0]=3 9647 B11R0.2 CCCCSCC(=O)CC(C)O 1458a_100000191162_100011218427 [0,2,0,0,0,0|1,0,0]=3 9648 B11R0.2 CCCCSCC(=O)CC(F)F 1458a_100000191162_100011934356 [0,2,0,0,0,0|1,0,0]=3 9649 B11R0.2 CCCCSCC(=O)C[N+](=O)[O-] 1458a_100000191162_100000761209 [0,2,0,0,0,0|2,0,0]=4 9650 B11R0.2 CCCCSCC(=O)NC(=O)C 62a_100000210211_100000183797 [0,2,0,0,0,0|1,0,1]=4 9651 B11R0.2 CCCCSCC(=O)NC(C)C 11a_100138425928_100000191162 [0,2,0,0,0,0|1,0,0]=3 9652 B11R0.2 CCCCSCC(=O)NC(C)C 1626a_100138425928_100000191162 [0,2,0,0,0,0|1,0,0]=3 9653 B11R0.2 CCCCSCC(=O)NC(C)C 240690a_100138425928_100000191162 [0,2,0,0,0,0|1,0,0]=3 9654 B11R0.2 CCCCSCC(=O)NC(C)C 527a_100138425928_100000191162 [0,2,0,0,0,0|1,0,0]=3 9655 B11R0.2 CCCCSCC(=O)NC(C)C 62a_100000183996_100000210210 [0,2,0,0,0,0|1,0,0]=3 9656 B11R0.2 CCCCSCC(=O)NC(C)C 62a_100000210211_100000183996 [0,2,0,0,0,0|1,0,0]=3 9657 B11R0.2 CCCCSCC(=O)OC(C)C 62a_100000210211_100011215430 [0,2,0,0,0,0|1,0,0]=3 9658 B11R0.2 CCCCSCC(=O)OC(C)C 62a_100011215430_100000210210 [0,2,0,0,0,0|1,0,0]=3 9659 B11R0.2 CCCOCCC(=O)C=C(C)C 1458a_100000211388_100011215938 [0,2,0,0,0,0|1,0,1]=4 9660 B11R0.2 CCCOCCC(=O)C=C(C)Cl 1458a_200042562850_100011215938 [0,2,0,0,0,0|1,0,1]=4 9661 B11R0.2 CCCOCCC(=O)C=C(C)I 1458a_100025716642_100011215938 [0,2,0,0,0,0|1,0,1]=4 9662 B11R0.2 CCCOCCC(=O)CC(=O)N 1458a_100134613110_100011215938 [0,2,0,0,0,0|1,0,1]=4 9663 B11R0.2 CCCOCCC(=O)CC(C)C 1458a_100000210554_100011215938 [0,2,0,0,0,0|1,0,0]=3 9664 B11R0.2 CCCOCCC(=O)CN(C)C 1458a_100000750896_100011215938 [0,2,0,0,0,0|1,0,0]=3 9665 B11R0.2 CCCOCCC(=O)C[C@@H](C)O 1458a_100011933948_100011215938 [0,2,0,0,0,0|1,0,0]=3 9666 B11R0.2 CCCOCCC(=O)C[S+](C)C 1458a_200159257847_100011215938 [0,2,0,0,0,0|1,0,0]=3 9667 B11R0.2 CCCSCCC(=O)NC(C)C 62a_100000210303_100000737564 [0,2,0,0,0,0|1,0,0]=3 9668 B11R0.2 CCCSCCC(=O)NC(C)C 62a_100000737564_100000210303 [0,2,0,0,0,0|1,0,0]=3 9669 B11R0.2 CCCSCCC(=O)OC(C)C 62a_100000210303_100000760027 [0,2,0,0,0,0|1,0,0]=3 9670 B11R0.2 CCCSCCC(=O)OC(C)C 62a_100000760027_100000210303 [0,2,0,0,0,0|1,0,0]=3 9671 B11R0.2 CCCSCOC(=O)OC(C)C 62a_100000003507_100000210303 [0,2,0,0,0,0|2,0,0]=4 9672 B11R0.2 CCCSCOC(=O)OC(C)C 62a_100000210303_100000003507 [0,2,0,0,0,0|2,0,0]=4 9673 B11R0.2 CCOCCCC(=O)C=C(C)C 1458a_100000211388_100012232248 [0,2,0,0,0,0|1,0,1]=4 9674 B11R0.2 CCOCCCC(=O)C=C(C)Cl 1458a_200042562850_100012232248 [0,2,0,0,0,0|1,0,1]=4 9675 B11R0.2 CCOCCCC(=O)C=C(C)I 1458a_100025716642_100012232248 [0,2,0,0,0,0|1,0,1]=4 9676 B11R0.2 CCOCCCC(=O)CC(=O)N 1458a_100134613110_100012232248 [0,2,0,0,0,0|1,0,1]=4 9677 B11R0.2 CCOCCCC(=O)CC(C)C 1458a_100000210554_100012232248 [0,2,0,0,0,0|1,0,0]=3 9678 B11R0.2 CCOCCCC(=O)CN(C)C 1458a_100000750896_100012232248 [0,2,0,0,0,0|1,0,0]=3 9679 B11R0.2 CCOCCCC(=O)C[C@@H](C)O 1458a_100011933948_100012232248 [0,2,0,0,0,0|1,0,0]=3 9680 B11R0.2 CCOCCCC(=O)C[S+](C)C 1458a_200159257847_100012232248 [0,2,0,0,0,0|1,0,0]=3 9681 B11R0.2 CCOCCNC(=O)CC(C)C 11a_100011200944_100000210554 [0,2,0,0,0,0|2,0,0]=4 9682 B11R0.2 CCOCCNC(=O)CC(C)C 1626a_102516460346_100000210554 [0,2,0,0,0,0|2,0,0]=4 9683 B11R0.2 CCOCCNC(=O)CC(C)C 240690a_100011200944_100000210554 [0,2,0,0,0,0|2,0,0]=4 9684 B11R0.2 CCOCCNC(=O)CC(C)C 527a_100011200944_100000210554 [0,2,0,0,0,0|2,0,0]=4 9685 B11R0.2 CCOCCNC(=O)CN(C)C 11a_100011200944_100000750896 [0,2,0,0,0,0|2,0,0]=4 9686 B11R0.2 CCOCCNC(=O)CN(C)C 240690a_100011200944_100000750896 [0,2,0,0,0,0|2,0,0]=4 9687 B11R0.2 CCOCCNC(=O)CN(C)C 527a_100011200944_100000750896 [0,2,0,0,0,0|2,0,0]=4 9688 B11R0.2 CCOCCNC(=O)C[C@@H](C)O 240690a_100011200944_100011933948 [0,2,0,0,0,0|2,0,0]=4 9689 B11R0.2 CCOCCNC(=O)C[S+](C)C 11a_100011200944_200159257847 [0,2,0,0,0,0|2,0,0]=4 9690 B11R0.2 CCOCCNC(=O)C[S+](C)C 1626a_102516460346_200159257847 [0,2,0,0,0,0|2,0,0]=4 9691 B11R0.2 CCOCCNC(=O)C[S+](C)C 240690a_100011200944_200159257847 [0,2,0,0,0,0|2,0,0]=4 9692 B11R0.2 CCOCCNC(=O)C[S+](C)C 527a_100011200944_200159257847 [0,2,0,0,0,0|2,0,0]=4 9693 B11R0.2 CCOCCNC(=O)NC(C)C 2708a_100011200944_100138425928 [0,2,0,0,0,0|2,0,0]=4 9694 B11R0.2 CCOCCNC(=O)NC(C)C 2708a_100138425928_100011200944 [0,2,0,0,0,0|2,0,0]=4 9695 B11R0.2 CCOCCNC(=O)NC(C)C 273464a_100138425928_102516460346 [0,2,0,0,0,0|2,0,0]=4 9696 B11R0.2 CCOCCNC(=O)NC(C)C 512a_100011200944_100138425928 [0,2,0,0,0,0|2,0,0]=4 9697 B11R0.2 CCOCCNC(=O)NC(C)C 512a_100138425928_100011200944 [0,2,0,0,0,0|2,0,0]=4 9698 B11R0.2 CCOCCOC(=O)CC(=O)C 1458a_100000070787_200000101388 [0,2,0,0,0,0|2,0,0]=4 9699 B11R0.2 CCOCCOC(=O)CC(=O)C 34a_100121572206_100000102702 [0,2,0,0,0,0|2,0,0]=4 9700 B11R0.2 CCOCCOC(=O)CN(C)C 2230a_100102631434_200000101388 [0,2,0,0,0,0|2,0,0]=4 9701 B11R0.2 CCOCCOC(=O)CN(C)C 269982a_100102631434_200000101388 [0,2,0,0,0,0|2,0,0]=4 9702 B11R0.2 CCOCSCC(=O)NC(C)C 62a_100000183996_100000739092 [0,2,0,0,0,0|2,0,0]=4 9703 B11R0.2 CCOCSCC(=O)NC(C)C 62a_100000739092_100000183996 [0,2,0,0,0,0|2,0,0]=4 9704 B11R0.2 CCOCSCC(=O)OC(C)C 62a_100000739092_100011215430 [0,2,0,0,0,0|2,0,0]=4 9705 B11R0.2 CCOCSCC(=O)OC(C)C 62a_100011215430_100000739092 [0,2,0,0,0,0|2,0,0]=4 9706 B11R0.2 CCSCCNC(=O)CC(C)C 11a_100000106463_100000210554 [0,2,0,0,0,0|2,0,0]=4 9707 B11R0.2 CCSCCNC(=O)CC(C)C 1626a_100000106463_100000210554 [0,2,0,0,0,0|2,0,0]=4 9708 B11R0.2 CCSCCNC(=O)CC(C)C 240690a_100000106463_100000210554 [0,2,0,0,0,0|2,0,0]=4 9709 B11R0.2 CCSCCNC(=O)CC(C)C 527a_100000106463_100000210554 [0,2,0,0,0,0|2,0,0]=4 9710 B11R0.2 CCSCCNC(=O)CN(C)C 11a_100000106463_100000750896 [0,2,0,0,0,0|2,0,0]=4 9711 B11R0.2 CCSCCNC(=O)CN(C)C 240690a_100000106463_100000750896 [0,2,0,0,0,0|2,0,0]=4 9712 B11R0.2 CCSCCNC(=O)CN(C)C 527a_100000106463_100000750896 [0,2,0,0,0,0|2,0,0]=4 9713 B11R0.2 CCSCCNC(=O)C[C@@H](C)O 240690a_100000106463_100011933948 [0,2,0,0,0,0|2,0,0]=4 9714 B11R0.2 CCSCCNC(=O)C[S+](C)C 11a_100000106463_200159257847 [0,2,0,0,0,0|2,0,0]=4 9715 B11R0.2 CCSCCNC(=O)C[S+](C)C 1626a_100000106463_200159257847 [0,2,0,0,0,0|2,0,0]=4 9716 B11R0.2 CCSCCNC(=O)C[S+](C)C 240690a_100000106463_200159257847 [0,2,0,0,0,0|2,0,0]=4 9717 B11R0.2 CCSCCNC(=O)C[S+](C)C 527a_100000106463_200159257847 [0,2,0,0,0,0|2,0,0]=4 9718 B11R0.2 CCSCCNC(=O)NC(C)C 2708a_100000106463_100138425928 [0,2,0,0,0,0|2,0,0]=4 9719 B11R0.2 CCSCCNC(=O)NC(C)C 2708a_100138425928_100000106463 [0,2,0,0,0,0|2,0,0]=4 9720 B11R0.2 CCSCCNC(=O)NC(C)C 273464a_100138425928_100000106463 [0,2,0,0,0,0|2,0,0]=4 9721 B11R0.2 CCSCCNC(=O)NC(C)C 512a_100000106463_100138425928 [0,2,0,0,0,0|2,0,0]=4 9722 B11R0.2 CCSCCNC(=O)NC(C)C 512a_100138425928_100000106463 [0,2,0,0,0,0|2,0,0]=4 9723 B11R0.2 CCSCCOC(=O)CC(=O)C 62a_100000102702_100000210202 [0,2,0,0,0,0|2,0,0]=4 9724 B11R0.2 CCSCCOC(=O)CC(=O)C 62a_100000210202_100000102702 [0,2,0,0,0,0|2,0,0]=4 9725 B11R0.2 CN(C)CC(=O)CCCCC#N 1458a_100000750896_100000211819 [0,2,0,0,0,0|1,0,1]=4 9726 B11R0.2 CN(C)CC(=O)CCCCCF 1458a_100000750896_100000729378 [0,2,0,0,0,0|1,0,0]=3 9727 B11R0.2 CN(C)CC(=O)CCCCCO 1458a_100000750896_100000746330 [0,2,0,0,0,0|1,0,0]=3 9728 B11R0.2 CN(C)CC(=O)CCOCCO 1458a_100000750896_100011215305 [0,2,0,0,0,0|2,0,0]=4 9729 B11R0.2 CN(C)CC(=O)NCCCCO 240690a_100000750430_100000750896 [0,2,0,0,0,0|2,0,0]=4 9730 B11R0.2 CN(C)CC(=O)NCCCCO 527a_100000750430_100000750896 [0,2,0,0,0,0|2,0,0]=4 9731 B11R0.2 COCCCCC(=O)C=C(C)C 1458a_100000211388_100000755781 [0,2,0,0,0,0|1,0,1]=4 9732 B11R0.2 COCCCCC(=O)C=C(C)Cl 1458a_200042562850_100000755781 [0,2,0,0,0,0|1,0,1]=4 9733 B11R0.2 COCCCCC(=O)C=C(C)I 1458a_100025716642_100000755781 [0,2,0,0,0,0|1,0,1]=4 9734 B11R0.2 COCCCCC(=O)CC(=O)N 1458a_100134613110_100000755781 [0,2,0,0,0,0|1,0,1]=4 9735 B11R0.2 COCCCCC(=O)CC(C)C 1458a_100000210554_100000755781 [0,2,0,0,0,0|1,0,0]=3 9736 B11R0.2 COCCCCC(=O)CN(C)C 1458a_100000750896_100000755781 [0,2,0,0,0,0|1,0,0]=3 9737 B11R0.2 COCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000755781 [0,2,0,0,0,0|1,0,0]=3 9738 B11R0.2 COCCCCC(=O)C[S+](C)C 1458a_200159257847_100000755781 [0,2,0,0,0,0|1,0,0]=3 9739 B11R0.2 COCCCNC(=O)CC(=O)C 1458a_100000070787_100000183178 [0,2,0,0,0,0|2,0,0]=4 9740 B11R0.2 COCCCNC(=O)CC(C)C 1626a_100150723488_100000210554 [0,2,0,0,0,0|2,0,0]=4 9741 B11R0.2 COCCCNC(=O)CC(C)C 240690a_100150723488_100000210554 [0,2,0,0,0,0|2,0,0]=4 9742 B11R0.2 COCCCNC(=O)CC(C)C 527a_100150723488_100000210554 [0,2,0,0,0,0|2,0,0]=4 9743 B11R0.2 COCCCNC(=O)CN(C)C 2230a_100000168148_200000210301 [0,2,0,0,0,0|2,0,0]=4 9744 B11R0.2 COCCCNC(=O)CN(C)C 2230a_100102631434_100000183178 [0,2,0,0,0,0|2,0,0]=4 9745 B11R0.2 COCCCNC(=O)CN(C)C 240690a_100150723488_100000750896 [0,2,0,0,0,0|2,0,0]=4 9746 B11R0.2 COCCCNC(=O)CN(C)C 269982a_100000168148_200000210301 [0,2,0,0,0,0|2,0,0]=4 9747 B11R0.2 COCCCNC(=O)CN(C)C 269982a_100102631434_100000183178 [0,2,0,0,0,0|2,0,0]=4 9748 B11R0.2 COCCCNC(=O)CN(C)C 527a_100150723488_100000750896 [0,2,0,0,0,0|2,0,0]=4 9749 B11R0.2 COCCCNC(=O)CN(C)[13CH3] 2230a_100000168148_200025704644 [0,2,0,0,0,0|2,0,0]=4 9750 B11R0.2 COCCCNC(=O)CN(C)[13CH3] 269982a_100000168148_200025704644 [0,2,0,0,0,0|2,0,0]=4 9751 B11R0.2 COCCCNC(=O)C[C@@H](C)O 240690a_100150723488_100011933948 [0,2,0,0,0,0|2,0,0]=4 9752 B11R0.2 COCCCNC(=O)C[S+](C)C 1626a_100150723488_200159257847 [0,2,0,0,0,0|2,0,0]=4 9753 B11R0.2 COCCCNC(=O)C[S+](C)C 240690a_100150723488_200159257847 [0,2,0,0,0,0|2,0,0]=4 9754 B11R0.2 COCCCNC(=O)C[S+](C)C 527a_100150723488_200159257847 [0,2,0,0,0,0|2,0,0]=4 9755 B11R0.2 COCCCNC(=O)NC(C)C 2708a_100138425928_100150723488 [0,2,0,0,0,0|2,0,0]=4 9756 B11R0.2 COCCCNC(=O)NC(C)C 2708a_100150723488_100138425928 [0,2,0,0,0,0|2,0,0]=4 9757 B11R0.2 COCCCNC(=O)NC(C)C 273464a_100138425928_100150723488 [0,2,0,0,0,0|2,0,0]=4 9758 B11R0.2 COCCCNC(=O)NC(C)C 512a_100138425928_100150723488 [0,2,0,0,0,0|2,0,0]=4 9759 B11R0.2 COCCNCC(=O)NC(C)C 2230a_100000168517_100011201679 [0,2,0,0,0,0|2,0,0]=4 9760 B11R0.2 COCCNCC(=O)NC(C)C 2230a_100000209980_100000183996 [0,2,0,0,0,0|2,0,0]=4 9761 B11R0.2 COCCNCC(=O)OC(C)C 2230a_100000209980_100011215430 [0,2,0,0,0,0|2,0,0]=4 9762 B11R0.2 COCCOCC(=O)CC(C)C 1458a_100000211095_100000210624 [0,2,0,0,0,0|2,0,0]=4 9763 B11R0.2 COCCOCC(=O)CC(C)O 1458a_100000211095_100011218427 [0,2,0,0,0,0|2,0,0]=4 9764 B11R0.2 COCCOCC(=O)CC(F)F 1458a_100000211095_100011934356 [0,2,0,0,0,0|2,0,0]=4 9765 B11R0.2 COCCOCC(=O)NC(C)C 11a_100138425928_100000211095 [0,2,0,0,0,0|2,0,0]=4 9766 B11R0.2 COCCOCC(=O)NC(C)C 1626a_100138425928_100000211095 [0,2,0,0,0,0|2,0,0]=4 9767 B11R0.2 COCCOCC(=O)NC(C)C 240690a_100138425928_100000211095 [0,2,0,0,0,0|2,0,0]=4 9768 B11R0.2 COCCOCC(=O)NC(C)C 34a_100000210237_100000183996 [0,2,0,0,0,0|2,0,0]=4 9769 B11R0.2 COCCOCC(=O)NC(C)C 527a_100138425928_100000211095 [0,2,0,0,0,0|2,0,0]=4 9770 B11R0.2 COCCOCC(=O)OC(C)C 34a_100000210237_100011215430 [0,2,0,0,0,0|2,0,0]=4 9771 B11R0.2 COCCSCC(=O)NC(C)C 62a_100000183996_100000233755 [0,2,0,0,0,0|2,0,0]=4 9772 B11R0.2 COCCSCC(=O)NC(C)C 62a_100000233755_100000183996 [0,2,0,0,0,0|2,0,0]=4 9773 B11R0.2 COCCSCC(=O)OC(C)C 62a_100000233755_100011215430 [0,2,0,0,0,0|2,0,0]=4 9774 B11R0.2 COCCSCC(=O)OC(C)C 62a_100011215430_100000233755 [0,2,0,0,0,0|2,0,0]=4 9775 B11R0.2 COCSCCC(=O)NC(C)C 62a_100000737564_100000766300 [0,2,0,0,0,0|2,0,0]=4 9776 B11R0.2 COCSCCC(=O)NC(C)C 62a_100000766300_100000737564 [0,2,0,0,0,0|2,0,0]=4 9777 B11R0.2 COCSCCC(=O)OC(C)C 62a_100000760027_100000766300 [0,2,0,0,0,0|2,0,0]=4 9778 B11R0.2 COCSCCC(=O)OC(C)C 62a_100000766300_100000760027 [0,2,0,0,0,0|2,0,0]=4 9779 B11R0.2 CSCCCNC(=O)CC(C)C 11a_100000749238_100000210554 [0,2,0,0,0,0|2,0,0]=4 9780 B11R0.2 CSCCCNC(=O)CC(C)C 1626a_100000749238_100000210554 [0,2,0,0,0,0|2,0,0]=4 9781 B11R0.2 CSCCCNC(=O)CC(C)C 240690a_100000749238_100000210554 [0,2,0,0,0,0|2,0,0]=4 9782 B11R0.2 CSCCCNC(=O)CC(C)C 527a_100000749238_100000210554 [0,2,0,0,0,0|2,0,0]=4 9783 B11R0.2 CSCCCNC(=O)CN(C)C 11a_100000749238_100000750896 [0,2,0,0,0,0|2,0,0]=4 9784 B11R0.2 CSCCCNC(=O)CN(C)C 240690a_100000749238_100000750896 [0,2,0,0,0,0|2,0,0]=4 9785 B11R0.2 CSCCCNC(=O)CN(C)C 527a_100000749238_100000750896 [0,2,0,0,0,0|2,0,0]=4 9786 B11R0.2 CSCCCNC(=O)C[C@@H](C)O 240690a_100000749238_100011933948 [0,2,0,0,0,0|2,0,0]=4 9787 B11R0.2 CSCCCNC(=O)C[S+](C)C 11a_100000749238_200159257847 [0,2,0,0,0,0|2,0,0]=4 9788 B11R0.2 CSCCCNC(=O)C[S+](C)C 1626a_100000749238_200159257847 [0,2,0,0,0,0|2,0,0]=4 9789 B11R0.2 CSCCCNC(=O)C[S+](C)C 240690a_100000749238_200159257847 [0,2,0,0,0,0|2,0,0]=4 9790 B11R0.2 CSCCCNC(=O)C[S+](C)C 527a_100000749238_200159257847 [0,2,0,0,0,0|2,0,0]=4 9791 B11R0.2 CSCCCNC(=O)NC(C)C 2708a_100000749238_100138425928 [0,2,0,0,0,0|2,0,0]=4 9792 B11R0.2 CSCCCNC(=O)NC(C)C 2708a_100138425928_100000749238 [0,2,0,0,0,0|2,0,0]=4 9793 B11R0.2 CSCCCNC(=O)NC(C)C 273464a_100138425928_100000749238 [0,2,0,0,0,0|2,0,0]=4 9794 B11R0.2 CSCCCNC(=O)NC(C)C 512a_100000749238_100138425928 [0,2,0,0,0,0|2,0,0]=4 9795 B11R0.2 CSCCCNC(=O)NC(C)C 512a_100138425928_100000749238 [0,2,0,0,0,0|2,0,0]=4 9796 B11R0.2 CSCCNCC(=O)NC(C)C 2230a_100000168517_100000751147 [0,2,0,0,0,0|2,0,0]=4 9797 B11R0.2 CSCCNCC(=O)NC(C)C 2230a_100020590264_100000183996 [0,2,0,0,0,0|2,0,0]=4 9798 B11R0.2 CSCCNCC(=O)OC(C)C 2230a_100020590264_100011215430 [0,2,0,0,0,0|2,0,0]=4 9799 B11R0.2 CSCCOCC(=O)NC(C)C 34a_100000230434_100000183996 [0,2,0,0,0,0|2,0,0]=4 9800 B11R0.2 CSCCOCC(=O)NC(C)C 7a_100000230434_100000183996 [0,2,0,0,0,0|2,0,0]=4 9801 B11R0.2 CSCCOCC(=O)OC(C)C 34a_100000230434_100011215430 [0,2,0,0,0,0|2,0,0]=4 9802 B11R0.2 CSCCOCC(=O)OC(C)C 7a_100000230434_100011215430 [0,2,0,0,0,0|2,0,0]=4 9803 B11R0.2 CSCCSCC(=O)NC(C)C 62a_100000183996_100000751147 [0,2,0,0,0,0|2,0,0]=4 9804 B11R0.2 CSCCSCC(=O)NC(C)C 62a_100000212216_100000183996 [0,2,0,0,0,0|2,0,0]=4 9805 B11R0.2 CSCCSCC(=O)OC(C)C 62a_100000212216_100011215430 [0,2,0,0,0,0|2,0,0]=4 9806 B11R0.2 CSCCSCC(=O)OC(C)C 62a_100011215430_100000751147 [0,2,0,0,0,0|2,0,0]=4 9807 B11R0.2 CSCSCCC(=O)NC(C)C 62a_100000737564_100011218213 [0,2,0,0,0,0|2,0,0]=4 9808 B11R0.2 CSCSCCC(=O)NC(C)C 62a_100011218213_100000737564 [0,2,0,0,0,0|2,0,0]=4 9809 B11R0.2 CSCSCCC(=O)OC(C)C 62a_100000760027_100011218213 [0,2,0,0,0,0|2,0,0]=4 9810 B11R0.2 CSCSCCC(=O)OC(C)C 62a_100011218213_100000760027 [0,2,0,0,0,0|2,0,0]=4 9811 B11R0.2 C[C@@H](O)CC(=O)CCCCC#N 1458a_100011933948_100000211819 [0,2,0,0,0,0|1,0,1]=4 9812 B11R0.2 C[C@@H](O)CC(=O)CCCCCF 1458a_100011933948_100000729378 [0,2,0,0,0,0|1,0,0]=3 9813 B11R0.2 C[C@@H](O)CC(=O)CCCCCO 1458a_100011933948_100000746330 [0,2,0,0,0,0|1,0,0]=3 9814 B11R0.2 C[C@@H](O)CC(=O)CCOCCO 1458a_100011933948_100011215305 [0,2,0,0,0,0|2,0,0]=4 9815 B11R0.2 C[C@@H](O)CC(=O)NCCCCO 240690a_100000750430_100011933948 [0,2,0,0,0,0|2,0,0]=4 9816 B11R0.2 C[S+](C)CC(=O)CCCCC#N 1458a_200159257847_100000211819 [0,2,0,0,0,0|1,0,1]=4 9817 B11R0.2 C[S+](C)CC(=O)CCCCCF 1458a_200159257847_100000729378 [0,2,0,0,0,0|1,0,0]=3 9818 B11R0.2 C[S+](C)CC(=O)CCCCCO 1458a_200159257847_100000746330 [0,2,0,0,0,0|1,0,0]=3 9819 B11R0.2 C[S+](C)CC(=O)CCOCCO 1458a_200159257847_100011215305 [0,2,0,0,0,0|2,0,0]=4 9820 B11R0.2 C[S+](C)CC(=O)NCCCCO 240690a_100000750430_200159257847 [0,2,0,0,0,0|2,0,0]=4 9821 B11R0.2 C[S+](C)CC(=O)NCCCCO 527a_100000750430_200159257847 [0,2,0,0,0,0|2,0,0]=4 9822 B11R0.2 NC(=O)CC(=O)CCCCCF 1458a_100134613110_100000729378 [0,2,0,0,0,0|1,0,1]=4 9823 B11R0.2 NC(=O)CC(=O)CCCCCO 1458a_100102619762_100000187820 [0,2,0,0,0,0|1,0,1]=4 9824 B11R0.2 NC(=O)CC(=O)CCCCCO 1458a_100134613110_100000746330 [0,2,0,0,0,0|1,0,1]=4 9825 B11R0.2 O=C(CCCCCO)CC(F)F 1458a_100102619762_100011934356 [0,2,0,0,0,0|1,0,0]=3 9826 B11R0.2 O=C(CCCCCO)C[N+](=O)[O-] 1458a_100102619762_100000761209 [0,2,0,0,0,0|2,0,0]=4 9827 B11R0.2 O=C(CCOCCO)CC(F)F 1458a_100011229844_100011934356 [0,2,0,0,0,0|2,0,0]=4 9828 B11R0.2 O=C([O-])CC(=O)CCCCCO 1458a_100102619762_100020667443 [0,2,0,0,0,0|1,0,1]=4 9829 B11R0.4 C#CCC(=O)C#CCCCCC 1458a_100011215388_100000184674 [0,2,0,0,0,0|0,0,2]=4 9830 B11R0.4 C#CCC(=O)C/C=C/CCCC 1458a_200016282684_100000184674 [0,2,0,0,0,0|0,0,2]=4 9831 B11R0.4 C#CCC(=O)C=CCCCCC 1458a_100016263427_100000184674 [0,2,0,0,0,0|0,0,2]=4 9832 B11R0.4 C#CCC(=O)CCCCCC#N 1458a_100011220946_100009813376 [0,2,0,0,0,0|0,0,2]=4 9833 B11R0.4 C#CCC(=O)CCCCCC=C 1458a_100011220946_100000700193 [0,2,0,0,0,0|0,0,2]=4 9834 B11R0.4 C#CCC(=O)CCCCCC=C 1458a_100011934241_100000184674 [0,2,0,0,0,0|0,0,2]=4 9835 B11R0.4 C#CCC(=O)CCCCCCC 1458a_100000211969_100000184674 [0,2,0,0,0,0|0,0,1]=3 9836 B11R0.4 C#CCC(=O)CCCCCCC 1458a_100011220946_100000210614 [0,2,0,0,0,0|0,0,1]=3 9837 B11R0.4 C#CCC(=O)CCCCCCF 1458a_100011220946_100015922095 [0,2,0,0,0,0|0,0,1]=3 9838 B11R0.4 C#CCC(=O)CCCCCCO 1458a_100011220946_100000766143 [0,2,0,0,0,0|0,0,1]=3 9839 B11R0.4 C#CCC(=O)CCCCCCO 1458a_100011996774_100000184674 [0,2,0,0,0,0|0,0,1]=3 9840 B11R0.4 C#CCC(=O)CCCCCOC 1458a_100011935119_100000184674 [0,2,0,0,0,0|0,0,1]=3 9841 B11R0.4 C#CCC(=O)CCOCCCC 1458a_100011220946_100000743108 [0,2,0,0,0,0|0,0,1]=3 9842 B11R0.4 C#CCC(=O)CCOCCOC 1458a_100000745395_100000184674 [0,2,0,0,0,0|1,0,1]=4 9843 B11R0.4 C#CCC(=O)CCOCCOC 1458a_100011220946_100000695917 [0,2,0,0,0,0|1,0,1]=4 9844 B11R0.4 C#CCC(=O)NCCCCCC 1626a_100000210581_100011220946 [0,2,0,0,0,0|0,0,1]=3 9845 B11R0.4 C#CCC(=O)NCCCCCC 527a_100000210581_100011220946 [0,2,0,0,0,0|0,0,1]=3 9846 B11R0.4 C#CCC(=O)NCCCOCC 1626a_100000210961_100011220946 [0,2,0,0,0,0|1,0,1]=4 9847 B11R0.4 C#CCC(=O)NCCCOCC 527a_100000210961_100011220946 [0,2,0,0,0,0|1,0,1]=4 9848 B11R0.4 C#CCC(=O)NCCOCCC 1626a_100161115042_100011220946 [0,2,0,0,0,0|1,0,1]=4 9849 B11R0.4 C#CCC(=O)NCCOCCC 527a_100161115042_100011220946 [0,2,0,0,0,0|1,0,1]=4 9850 B11R0.4 C#CCC(=O)NCCSCCC 527a_100020603323_100011220946 [0,2,0,0,0,0|1,0,1]=4 9851 B11R0.4 C#CCCCCCC(=O)C#CC 1458a_100000763181_100012094781 [0,2,0,0,0,0|0,0,2]=4 9852 B11R0.4 C#CCCCCCC(=O)C=CC 1458a_100000210699_100012094781 [0,2,0,0,0,0|0,0,2]=4 9853 B11R0.4 C#CCCCCCC(=O)CC#C 1458a_100000694772_100000184674 [0,2,0,0,0,0|0,0,2]=4 9854 B11R0.4 C#CCCCCCC(=O)CC#C 1458a_100011220946_100012094781 [0,2,0,0,0,0|0,0,2]=4 9855 B11R0.4 C#CCCCCCC(=O)CC#N 1458a_100000694772_100011214920 [0,2,0,0,0,0|0,0,2]=4 9856 B11R0.4 C#CCCCCCC(=O)CC#N 1458a_100051588842_100012094781 [0,2,0,0,0,0|0,0,2]=4 9857 B11R0.4 C#CCCCCCC(=O)CC=C 1458a_100000210193_100012094781 [0,2,0,0,0,0|0,0,2]=4 9858 B11R0.4 C#CCCCCCC(=O)CC=C 1458a_100000694772_100000210623 [0,2,0,0,0,0|0,0,2]=4 9859 B11R0.4 C#CCCCCCC(=O)CCC 1458a_100000211992_100012094781 [0,2,0,0,0,0|0,0,1]=3 9860 B11R0.4 C#CCCCCCC(=O)CCC 1458a_100000694772_100000210303 [0,2,0,0,0,0|0,0,1]=3 9861 B11R0.4 C#CCCCCCC(=O)CCF 1458a_100000694772_100011217306 [0,2,0,0,0,0|0,0,1]=3 9862 B11R0.4 C#CCCCCCC(=O)CCO 1458a_100000694772_100000211926 [0,2,0,0,0,0|0,0,1]=3 9863 B11R0.4 C#CCCCCCC(=O)CCO 1458a_100011216618_100012094781 [0,2,0,0,0,0|0,0,1]=3 9864 B11R0.4 C#CCCCCCC(=O)COC 1458a_100000210968_100012094781 [0,2,0,0,0,0|0,0,1]=3 9865 B11R0.4 C#CCCCCCC(=O)CSC 1458a_100000184570_100012094781 [0,2,0,0,0,0|0,0,1]=3 9866 B11R0.4 C#CCCCCCC(=O)NCC 11a_100015525214_100000694772 [0,2,0,0,0,0|0,0,1]=3 9867 B11R0.4 C#CCCCCCC(=O)NCC 240690a_100015525214_100000694772 [0,2,0,0,0,0|0,0,1]=3 9868 B11R0.4 C#CCCCCCC(=O)NCC 527a_100015525214_100000694772 [0,2,0,0,0,0|0,0,1]=3 9869 B11R0.4 C#CCCCCCC(=O)NNC 22a_100016993582_100000694772 [0,2,0,0,0,0|1,0,1]=4 9870 B11R0.4 C#CCCCCNC(=O)CCC 11a_100000706060_100000211992 [0,2,0,0,0,0|0,0,2]=4 9871 B11R0.4 C#CCCCCNC(=O)CCC 1626a_100000706060_100000211992 [0,2,0,0,0,0|0,0,2]=4 9872 B11R0.4 C#CCCCCNC(=O)CCC 240690a_100000706060_100000211992 [0,2,0,0,0,0|0,0,2]=4 9873 B11R0.4 C#CCCCCNC(=O)CCC 527a_100000706060_100000211992 [0,2,0,0,0,0|0,0,2]=4 9874 B11R0.4 C#CCCCCNC(=O)CCO 240690a_100000706060_100011216618 [0,2,0,0,0,0|0,0,2]=4 9875 B11R0.4 C#CCCCCNC(=O)COC 11a_100000706060_100000210968 [0,2,0,0,0,0|0,0,2]=4 9876 B11R0.4 C#CCCCCNC(=O)COC 1626a_100000706060_100000210968 [0,2,0,0,0,0|0,0,2]=4 9877 B11R0.4 C#CCCCCNC(=O)COC 240690a_100000706060_100000210968 [0,2,0,0,0,0|0,0,2]=4 9878 B11R0.4 C#CCCCCNC(=O)COC 527a_100000706060_100000210968 [0,2,0,0,0,0|0,0,2]=4 9879 B11R0.4 C#CCCCCNC(=O)CSC 11a_100000706060_100000184570 [0,2,0,0,0,0|0,0,2]=4 9880 B11R0.4 C#CCCCCNC(=O)CSC 1626a_100000706060_100000184570 [0,2,0,0,0,0|0,0,2]=4 9881 B11R0.4 C#CCCCCNC(=O)CSC 240690a_100000706060_100000184570 [0,2,0,0,0,0|0,0,2]=4 9882 B11R0.4 C#CCCCCNC(=O)CSC 527a_100000706060_100000184570 [0,2,0,0,0,0|0,0,2]=4 9883 B11R0.4 C#CCCCCNC(=O)NCC 2708a_100000706060_100015525214 [0,2,0,0,0,0|0,0,2]=4 9884 B11R0.4 C#CCCCCNC(=O)NCC 2708a_100015525214_100000706060 [0,2,0,0,0,0|0,0,2]=4 9885 B11R0.4 C#CCCCCNC(=O)NCC 273464a_100000706060_100015525214 [0,2,0,0,0,0|0,0,2]=4 9886 B11R0.4 C#CCCCCNC(=O)NCC 273464a_100015525214_100000706060 [0,2,0,0,0,0|0,0,2]=4 9887 B11R0.4 C#CCCCCNC(=O)NCC 512a_100000706060_100015525214 [0,2,0,0,0,0|0,0,2]=4 9888 B11R0.4 C#CCCCCNC(=O)NCC 512a_100015525214_100000706060 [0,2,0,0,0,0|0,0,2]=4 9889 B11R0.4 C#CCCCNCC(=O)NCC 2230a_100016988866_100000731252 [0,2,0,0,0,0|0,0,2]=4 9890 B11R0.4 C#CCCCNCC(=O)NCC 34a_100000718082_100000183381 [0,2,0,0,0,0|0,0,2]=4 9891 B11R0.4 C#CCCCNCC(=O)OCC 34a_100000718082_100000188475 [0,2,0,0,0,0|0,0,2]=4 9892 B11R0.4 C#CCCCOCC(=O)CCC 7a_100000215630_100000747444 [0,2,0,0,0,0|0,0,2]=4 9893 B11R0.4 C#CCCCOCC(=O)NCC 34a_100000215630_100000183381 [0,2,0,0,0,0|0,0,2]=4 9894 B11R0.4 C#CCCCOCC(=O)NCC 7a_100000215630_100000183381 [0,2,0,0,0,0|0,0,2]=4 9895 B11R0.4 C#CCCCOCC(=O)OCC 34a_100000215630_100000188475 [0,2,0,0,0,0|0,0,2]=4 9896 B11R0.4 C#CCCCOCC(=O)OCC 7a_100000215630_100000188475 [0,2,0,0,0,0|0,0,2]=4 9897 B11R0.4 C#CCCCSCC(=O)CCC 62a_100000747444_100011215417 [0,2,0,0,0,0|0,0,2]=4 9898 B11R0.4 C#CCCCSCC(=O)CCC 62a_100011215417_100000747444 [0,2,0,0,0,0|0,0,2]=4 9899 B11R0.4 C#CCCCSCC(=O)NCC 62a_100000183381_100011215417 [0,2,0,0,0,0|0,0,2]=4 9900 B11R0.4 C#CCCCSCC(=O)NCC 62a_100011215417_100000183381 [0,2,0,0,0,0|0,0,2]=4 9901 B11R0.4 C#CCCCSCC(=O)OCC 62a_100000188475_100011215417 [0,2,0,0,0,0|0,0,2]=4 9902 B11R0.4 C#CCCCSCC(=O)OCC 62a_100011215417_100000188475 [0,2,0,0,0,0|0,0,2]=4 9903 B11R0.4 C#CCCNCCC(=O)NCC 34a_100025743525_100000688953 [0,2,0,0,0,0|0,0,2]=4 9904 B11R0.4 C#CCCNCCC(=O)OCC 34a_100000755551_100000765890 [0,2,0,0,0,0|0,0,2]=4 9905 B11R0.4 C#CCCOCCC(=O)OCC 34a_100011215631_100000765890 [0,2,0,0,0,0|0,0,2]=4 9906 B11R0.4 C#CCCSCCC(=O)NCC 62a_100000688953_100000737597 [0,2,0,0,0,0|0,0,2]=4 9907 B11R0.4 C#CCCSCCC(=O)NCC 62a_100000737597_100000688953 [0,2,0,0,0,0|0,0,2]=4 9908 B11R0.4 C#CCCSCCC(=O)OCC 62a_100000688953_100000765890 [0,2,0,0,0,0|0,0,2]=4 9909 B11R0.4 C#CCCSCCC(=O)OCC 62a_100000765890_100000688953 [0,2,0,0,0,0|0,0,2]=4 9910 B11R0.4 C#CCNCCCC(=O)OCC 34a_100000212058_100009991533 [0,2,0,0,0,0|0,0,2]=4 9911 B11R0.4 C#CCOCCCC(=O)OCC 34a_100000210247_100009991533 [0,2,0,0,0,0|0,0,2]=4 9912 B11R0.4 C#CCOCCCC(=O)OCC 7a_100012001163_100000038162 [0,2,0,0,0,0|0,0,2]=4 9913 B11R0.4 C#CCSCCCC(=O)OCC 62a_100000038162_100009991533 [0,2,0,0,0,0|0,0,2]=4 9914 B11R0.4 C/C=C/CCOCC(=O)NCC 34a_100016278192_100000183381 [0,2,0,0,0,0|0,0,2]=4 9915 B11R0.4 C/C=C/CCOCC(=O)OCC 34a_100016278192_100000188475 [0,2,0,0,0,0|0,0,2]=4 9916 B11R0.4 C/C=C/CNCCC(=O)NCC 34a_100025743525_100102629194 [0,2,0,0,0,0|0,0,2]=4 9917 B11R0.4 C/C=C/COCCC(=O)OCC 34a_100016270725_100000765890 [0,2,0,0,0,0|0,0,2]=4 9918 B11R0.4 C/C=C/CSCCC(=O)NCC 62a_100000737597_100102629194 [0,2,0,0,0,0|0,0,2]=4 9919 B11R0.4 C/C=C/CSCCC(=O)NCC 62a_100102629194_100000737597 [0,2,0,0,0,0|0,0,2]=4 9920 B11R0.4 C/C=C/CSCCC(=O)OCC 62a_100000765890_100102629194 [0,2,0,0,0,0|0,0,2]=4 9921 B11R0.4 C/C=C/CSCCC(=O)OCC 62a_100102629194_100000765890 [0,2,0,0,0,0|0,0,2]=4 9922 B11R0.4 C=CCC(=O)C#CCCCCC 1458a_100011215388_100000210623 [0,2,0,0,0,0|0,0,2]=4 9923 B11R0.4 C=CCC(=O)C/C=C/CCCC 1458a_200016282684_100000210623 [0,2,0,0,0,0|0,0,2]=4 9924 B11R0.4 C=CCC(=O)C=CCCCCC 1458a_100016263427_100000210623 [0,2,0,0,0,0|0,0,2]=4 9925 B11R0.4 C=CCC(=O)CCCCCC#N 1458a_100000210193_100009813376 [0,2,0,0,0,0|0,0,2]=4 9926 B11R0.4 C=CCC(=O)CCCCCCC 1458a_100000210193_100000210614 [0,2,0,0,0,0|0,0,1]=3 9927 B11R0.4 C=CCC(=O)CCCCCCC 1458a_100000211969_100000210623 [0,2,0,0,0,0|0,0,1]=3 9928 B11R0.4 C=CCC(=O)CCCCCCF 1458a_100000210193_100015922095 [0,2,0,0,0,0|0,0,1]=3 9929 B11R0.4 C=CCC(=O)CCCCCCO 1458a_100000210193_100000766143 [0,2,0,0,0,0|0,0,1]=3 9930 B11R0.4 C=CCC(=O)CCCCCCO 1458a_100011996774_100000210623 [0,2,0,0,0,0|0,0,1]=3 9931 B11R0.4 C=CCC(=O)CCCCCOC 1458a_100011935119_100000210623 [0,2,0,0,0,0|0,0,1]=3 9932 B11R0.4 C=CCC(=O)CCOCCCC 1458a_100000210193_100000743108 [0,2,0,0,0,0|0,0,1]=3 9933 B11R0.4 C=CCC(=O)CCOCCOC 1458a_100000210193_100000695917 [0,2,0,0,0,0|1,0,1]=4 9934 B11R0.4 C=CCC(=O)CCOCCOC 1458a_100000745395_100000210623 [0,2,0,0,0,0|1,0,1]=4 9935 B11R0.4 C=CCC(=O)NCCCCCC 11a_100000210581_100000210193 [0,2,0,0,0,0|0,0,1]=3 9936 B11R0.4 C=CCC(=O)NCCCCCC 1626a_100000210581_100000210193 [0,2,0,0,0,0|0,0,1]=3 9937 B11R0.4 C=CCC(=O)NCCCCCC 240690a_100000210581_100000210193 [0,2,0,0,0,0|0,0,1]=3 9938 B11R0.4 C=CCC(=O)NCCCCCC 527a_100000210581_100000210193 [0,2,0,0,0,0|0,0,1]=3 9939 B11R0.4 C=CCC(=O)NCCCCCO 240690a_100000762737_100000210193 [0,2,0,0,0,0|1,0,1]=4 9940 B11R0.4 C=CCC(=O)NCCCOCC 11a_100000210961_100000210193 [0,2,0,0,0,0|1,0,1]=4 9941 B11R0.4 C=CCC(=O)NCCCOCC 1626a_100000210961_100000210193 [0,2,0,0,0,0|1,0,1]=4 9942 B11R0.4 C=CCC(=O)NCCCOCC 240690a_100000210961_100000210193 [0,2,0,0,0,0|1,0,1]=4 9943 B11R0.4 C=CCC(=O)NCCCOCC 527a_100000210961_100000210193 [0,2,0,0,0,0|1,0,1]=4 9944 B11R0.4 C=CCC(=O)NCCOCCC 1626a_100161115042_100000210193 [0,2,0,0,0,0|1,0,1]=4 9945 B11R0.4 C=CCC(=O)NCCOCCC 240690a_100161115042_100000210193 [0,2,0,0,0,0|1,0,1]=4 9946 B11R0.4 C=CCC(=O)NCCOCCC 527a_100161115042_100000210193 [0,2,0,0,0,0|1,0,1]=4 9947 B11R0.4 C=CCC(=O)NCCSCCC 11a_100020603323_100000210193 [0,2,0,0,0,0|1,0,1]=4 9948 B11R0.4 C=CCC(=O)NCCSCCC 240690a_100020603323_100000210193 [0,2,0,0,0,0|1,0,1]=4 9949 B11R0.4 C=CCC(=O)NCCSCCC 527a_100020603323_100000210193 [0,2,0,0,0,0|1,0,1]=4 9950 B11R0.4 C=CCC(=O)NNCCCCC 22a_100000694160_100000210193 [0,2,0,0,0,0|1,0,1]=4 9951 B11R0.4 C=CCCCCCC(=O)C#CC 1458a_100000763181_100000700193 [0,2,0,0,0,0|0,0,2]=4 9952 B11R0.4 C=CCCCCCC(=O)C=CC 1458a_100000210699_100000700193 [0,2,0,0,0,0|0,0,2]=4 9953 B11R0.4 C=CCCCCCC(=O)CC#N 1458a_100011934241_100011214920 [0,2,0,0,0,0|0,0,2]=4 9954 B11R0.4 C=CCCCCCC(=O)CC#N 1458a_100051588842_100000700193 [0,2,0,0,0,0|0,0,2]=4 9955 B11R0.4 C=CCCCCCC(=O)CC=C 1458a_100000210193_100000700193 [0,2,0,0,0,0|0,0,2]=4 9956 B11R0.4 C=CCCCCCC(=O)CC=C 1458a_100011934241_100000210623 [0,2,0,0,0,0|0,0,2]=4 9957 B11R0.4 C=CCCCCCC(=O)CCC 1458a_100000211992_100000700193 [0,2,0,0,0,0|0,0,1]=3 9958 B11R0.4 C=CCCCCCC(=O)CCC 1458a_100011934241_100000210303 [0,2,0,0,0,0|0,0,1]=3 9959 B11R0.4 C=CCCCCCC(=O)CCF 1458a_100011934241_100011217306 [0,2,0,0,0,0|0,0,1]=3 9960 B11R0.4 C=CCCCCCC(=O)CCO 1458a_100011216618_100000700193 [0,2,0,0,0,0|0,0,1]=3 9961 B11R0.4 C=CCCCCCC(=O)CCO 1458a_100011934241_100000211926 [0,2,0,0,0,0|0,0,1]=3 9962 B11R0.4 C=CCCCCCC(=O)COC 1458a_100000210968_100000700193 [0,2,0,0,0,0|0,0,1]=3 9963 B11R0.4 C=CCCCCCC(=O)CSC 1458a_100000184570_100000700193 [0,2,0,0,0,0|0,0,1]=3 9964 B11R0.4 C=CCCCCCC(=O)NCC 11a_100015525214_100011934241 [0,2,0,0,0,0|0,0,1]=3 9965 B11R0.4 C=CCCCCCC(=O)NCC 240690a_100015525214_100011934241 [0,2,0,0,0,0|0,0,1]=3 9966 B11R0.4 C=CCCCCCC(=O)NCC 527a_100015525214_100011934241 [0,2,0,0,0,0|0,0,1]=3 9967 B11R0.4 C=CCCCCCC(=O)NNC 22a_100016993582_100011934241 [0,2,0,0,0,0|1,0,1]=4 9968 B11R0.4 C=CCCCCNC(=O)CCC 11a_100000703577_100000211992 [0,2,0,0,0,0|0,0,2]=4 9969 B11R0.4 C=CCCCCNC(=O)CCC 1626a_100000703577_100000211992 [0,2,0,0,0,0|0,0,2]=4 9970 B11R0.4 C=CCCCCNC(=O)CCC 240690a_100000703577_100000211992 [0,2,0,0,0,0|0,0,2]=4 9971 B11R0.4 C=CCCCCNC(=O)CCC 527a_100000703577_100000211992 [0,2,0,0,0,0|0,0,2]=4 9972 B11R0.4 C=CCCCCNC(=O)CCO 240690a_100000703577_100011216618 [0,2,0,0,0,0|0,0,2]=4 9973 B11R0.4 C=CCCCCNC(=O)COC 11a_100000703577_100000210968 [0,2,0,0,0,0|0,0,2]=4 9974 B11R0.4 C=CCCCCNC(=O)COC 1626a_100000703577_100000210968 [0,2,0,0,0,0|0,0,2]=4 9975 B11R0.4 C=CCCCCNC(=O)COC 240690a_100000703577_100000210968 [0,2,0,0,0,0|0,0,2]=4 9976 B11R0.4 C=CCCCCNC(=O)COC 527a_100000703577_100000210968 [0,2,0,0,0,0|0,0,2]=4 9977 B11R0.4 C=CCCCCNC(=O)CSC 11a_100000703577_100000184570 [0,2,0,0,0,0|0,0,2]=4 9978 B11R0.4 C=CCCCCNC(=O)CSC 1626a_100000703577_100000184570 [0,2,0,0,0,0|0,0,2]=4 9979 B11R0.4 C=CCCCCNC(=O)CSC 240690a_100000703577_100000184570 [0,2,0,0,0,0|0,0,2]=4 9980 B11R0.4 C=CCCCCNC(=O)CSC 527a_100000703577_100000184570 [0,2,0,0,0,0|0,0,2]=4 9981 B11R0.4 C=CCCCCNC(=O)NCC 2708a_100000703577_100015525214 [0,2,0,0,0,0|0,0,2]=4 9982 B11R0.4 C=CCCCCNC(=O)NCC 2708a_100015525214_100000703577 [0,2,0,0,0,0|0,0,2]=4 9983 B11R0.4 C=CCCCCNC(=O)NCC 273464a_100000703577_100015525214 [0,2,0,0,0,0|0,0,2]=4 9984 B11R0.4 C=CCCCCNC(=O)NCC 273464a_100015525214_100000703577 [0,2,0,0,0,0|0,0,2]=4 9985 B11R0.4 C=CCCCCNC(=O)NCC 512a_100000703577_100015525214 [0,2,0,0,0,0|0,0,2]=4 9986 B11R0.4 C=CCCCCNC(=O)NCC 512a_100015525214_100000703577 [0,2,0,0,0,0|0,0,2]=4 9987 B11R0.4 C=CCCCNCC(=O)CCC 2230a_100000700776_100000747444 [0,2,0,0,0,0|0,0,2]=4 9988 B11R0.4 C=CCCCNCC(=O)NCC 2230a_100000700776_100000183381 [0,2,0,0,0,0|0,0,2]=4 9989 B11R0.4 C=CCCCNCC(=O)NCC 2230a_100016988866_100011713584 [0,2,0,0,0,0|0,0,2]=4 9990 B11R0.4 C=CCCCNCC(=O)NCC 34a_100000700776_100000183381 [0,2,0,0,0,0|0,0,2]=4 9991 B11R0.4 C=CCCCNCC(=O)OCC 2230a_100000700776_100000188475 [0,2,0,0,0,0|0,0,2]=4 9992 B11R0.4 C=CCCCNCC(=O)OCC 34a_100000700776_100000188475 [0,2,0,0,0,0|0,0,2]=4 9993 B11R0.4 C=CCCCOCC(=O)CCC 7a_100000758997_100000747444 [0,2,0,0,0,0|0,0,2]=4 9994 B11R0.4 C=CCCCOCC(=O)NCC 34a_100000758997_100000183381 [0,2,0,0,0,0|0,0,2]=4 9995 B11R0.4 C=CCCCOCC(=O)NCC 7a_100000758997_100000183381 [0,2,0,0,0,0|0,0,2]=4 9996 B11R0.4 C=CCCCOCC(=O)OCC 34a_100000758997_100000188475 [0,2,0,0,0,0|0,0,2]=4 9997 B11R0.4 C=CCCCOCC(=O)OCC 7a_100000758997_100000188475 [0,2,0,0,0,0|0,0,2]=4 9998 B11R0.4 C=CCCCSCC(=O)CCC 62a_100000747444_100000757094 [0,2,0,0,0,0|0,0,2]=4 9999 B11R0.4 C=CCCCSCC(=O)CCC 62a_100011713584_100000747444 [0,2,0,0,0,0|0,0,2]=4 10000 B11R0.4 C=CCCCSCC(=O)NCC 62a_100000183381_100000757094 [0,2,0,0,0,0|0,0,2]=4 10001 B11R0.4 C=CCCCSCC(=O)NCC 62a_100011713584_100000183381 [0,2,0,0,0,0|0,0,2]=4 10002 B11R0.4 C=CCCCSCC(=O)OCC 62a_100000188475_100000757094 [0,2,0,0,0,0|0,0,2]=4 10003 B11R0.4 C=CCCCSCC(=O)OCC 62a_100011713584_100000188475 [0,2,0,0,0,0|0,0,2]=4 10004 B11R0.4 C=CCCNCCC(=O)NCC 2230a_100015191253_100000737597 [0,2,0,0,0,0|0,0,2]=4 10005 B11R0.4 C=CCCNCCC(=O)NCC 34a_100025743525_100000754431 [0,2,0,0,0,0|0,0,2]=4 10006 B11R0.4 C=CCCNCCC(=O)OCC 2230a_100015191253_100011206558 [0,2,0,0,0,0|0,0,2]=4 10007 B11R0.4 C=CCCOCCC(=O)OCC 34a_100011205117_100000765890 [0,2,0,0,0,0|0,0,2]=4 10008 B11R0.4 C=CCCSCCC(=O)NCC 62a_100000737597_100000754431 [0,2,0,0,0,0|0,0,2]=4 10009 B11R0.4 C=CCCSCCC(=O)NCC 62a_100000754431_100000737597 [0,2,0,0,0,0|0,0,2]=4 10010 B11R0.4 C=CCCSCCC(=O)OCC 62a_100000754431_100000765890 [0,2,0,0,0,0|0,0,2]=4 10011 B11R0.4 C=CCCSCCC(=O)OCC 62a_100000765890_100000754431 [0,2,0,0,0,0|0,0,2]=4 10012 B11R0.4 C=CCNCCCC(=O)OCC 2230a_100020586998_100009991533 [0,2,0,0,0,0|0,0,2]=4 10013 B11R0.4 C=CCOCCCC(=O)OCC 34a_200000210373_100009991533 [0,2,0,0,0,0|0,0,2]=4 10014 B11R0.4 C=CCOCCCC(=O)OCC 7a_100012001163_100015514636 [0,2,0,0,0,0|0,0,2]=4 10015 B11R0.4 C=CCSCCCC(=O)OCC 62a_100000210623_100009991533 [0,2,0,0,0,0|0,0,2]=4 10016 B11R0.4 C=CCSCCCC(=O)OCC 62a_100009991533_100000210623 [0,2,0,0,0,0|0,0,2]=4 10017 B11R0.4 C=COC(=O)CNCCCCC 2230a_100000209983_100000036128 [0,2,0,0,0,0|0,0,2]=4 10018 B11R0.4 C=COC(=O)COCCCCC 34a_100000210253_100000036128 [0,2,0,0,0,0|0,0,2]=4 10019 B11R0.4 C=COC(=O)CSCCCCC 62a_100000036128_100000210326 [0,2,0,0,0,0|0,0,2]=4 10020 B11R0.4 C=COC(=O)CSCCCCC 62a_100000210326_100000036128 [0,2,0,0,0,0|0,0,2]=4 10021 B11R0.4 CC#CC(=O)CCCCCC#N 1458a_100000763181_100009813376 [0,2,0,0,0,0|0,0,2]=4 10022 B11R0.4 CC#CC(=O)CCCCCCC 1458a_100000763181_100000210614 [0,2,0,0,0,0|0,0,1]=3 10023 B11R0.4 CC#CC(=O)CCCCCCF 1458a_100000763181_100015922095 [0,2,0,0,0,0|0,0,1]=3 10024 B11R0.4 CC#CC(=O)CCCCCCO 1458a_100000763181_100000766143 [0,2,0,0,0,0|0,0,1]=3 10025 B11R0.4 CC#CC(=O)CCOCCCC 1458a_100000763181_100000743108 [0,2,0,0,0,0|0,0,1]=3 10026 B11R0.4 CC#CC(=O)CCOCCOC 1458a_100000763181_100000695917 [0,2,0,0,0,0|1,0,1]=4 10027 B11R0.4 CC#CC(=O)NNCCCCC 22a_100000694160_100000763181 [0,2,0,0,0,0|1,0,1]=4 10028 B11R0.4 CC#CCCOCC(=O)NCC 34a_100000750427_100000183381 [0,2,0,0,0,0|0,0,2]=4 10029 B11R0.4 CC#CCCOCC(=O)OCC 34a_100000750427_100000188475 [0,2,0,0,0,0|0,0,2]=4 10030 B11R0.4 CC#CCNCCC(=O)NCC 2230a_100000685387_100000737597 [0,2,0,0,0,0|0,0,2]=4 10031 B11R0.4 CC#CCNCCC(=O)NCC 34a_100025743525_100000748600 [0,2,0,0,0,0|0,0,2]=4 10032 B11R0.4 CC#CCNCCC(=O)OCC 2230a_100000685387_100011206558 [0,2,0,0,0,0|0,0,2]=4 10033 B11R0.4 CC#CCNCCC(=O)OCC 34a_100000685387_100000765890 [0,2,0,0,0,0|0,0,2]=4 10034 B11R0.4 CC#CCOCCC(=O)OCC 34a_100000761923_100000765890 [0,2,0,0,0,0|0,0,2]=4 10035 B11R0.4 CC#CCSCCC(=O)NCC 62a_100000737597_100000748600 [0,2,0,0,0,0|0,0,2]=4 10036 B11R0.4 CC#CCSCCC(=O)NCC 62a_100000748600_100000737597 [0,2,0,0,0,0|0,0,2]=4 10037 B11R0.4 CC#CCSCCC(=O)OCC 62a_100000748600_100000765890 [0,2,0,0,0,0|0,0,2]=4 10038 B11R0.4 CC#CCSCCC(=O)OCC 62a_100000765890_100000748600 [0,2,0,0,0,0|0,0,2]=4 10039 B11R0.4 CC/C=C\CNCC(=O)NCC 2230a_100016988866_100103147603 [0,2,0,0,0,0|0,0,2]=4 10040 B11R0.4 CC/C=C\COCC(=O)NCC 34a_100016268518_100000183381 [0,2,0,0,0,0|0,0,2]=4 10041 B11R0.4 CC/C=C\COCC(=O)OCC 34a_100016268518_100000188475 [0,2,0,0,0,0|0,0,2]=4 10042 B11R0.4 CC/C=C\CSCC(=O)CCC 62a_100000747444_100103147603 [0,2,0,0,0,0|0,0,2]=4 10043 B11R0.4 CC/C=C\CSCC(=O)CCC 62a_100103147603_100000747444 [0,2,0,0,0,0|0,0,2]=4 10044 B11R0.4 CC/C=C\CSCC(=O)NCC 62a_100000183381_100103147603 [0,2,0,0,0,0|0,0,2]=4 10045 B11R0.4 CC/C=C\CSCC(=O)NCC 62a_100103147603_100000183381 [0,2,0,0,0,0|0,0,2]=4 10046 B11R0.4 CC/C=C\CSCC(=O)OCC 62a_100000188475_100103147603 [0,2,0,0,0,0|0,0,2]=4 10047 B11R0.4 CC/C=C\CSCC(=O)OCC 62a_100103147603_100000188475 [0,2,0,0,0,0|0,0,2]=4 10048 B11R0.4 CC=CC(=O)CCCCCC#N 1458a_100000210699_100009813376 [0,2,0,0,0,0|0,0,2]=4 10049 B11R0.4 CC=CC(=O)CCCCCCC 1458a_100000210699_100000210614 [0,2,0,0,0,0|0,0,1]=3 10050 B11R0.4 CC=CC(=O)CCCCCCF 1458a_100000210699_100015922095 [0,2,0,0,0,0|0,0,1]=3 10051 B11R0.4 CC=CC(=O)CCCCCCO 1458a_100000210699_100000766143 [0,2,0,0,0,0|0,0,1]=3 10052 B11R0.4 CC=CC(=O)CCOCCCC 1458a_100000210699_100000743108 [0,2,0,0,0,0|0,0,1]=3 10053 B11R0.4 CC=CC(=O)CCOCCOC 1458a_100000210699_100000695917 [0,2,0,0,0,0|1,0,1]=4 10054 B11R0.4 CC=CC(=O)NCCCCCC 11a_100000210581_100000210699 [0,2,0,0,0,0|0,0,1]=3 10055 B11R0.4 CC=CC(=O)NCCCCCC 1626a_100000210581_100000210699 [0,2,0,0,0,0|0,0,1]=3 10056 B11R0.4 CC=CC(=O)NCCCCCC 240690a_100000210581_100000210699 [0,2,0,0,0,0|0,0,1]=3 10057 B11R0.4 CC=CC(=O)NCCCCCO 240690a_100000762737_100000210699 [0,2,0,0,0,0|1,0,1]=4 10058 B11R0.4 CC=CC(=O)NCCCOCC 11a_100000210961_100000210699 [0,2,0,0,0,0|1,0,1]=4 10059 B11R0.4 CC=CC(=O)NCCCOCC 1626a_100000210961_100000210699 [0,2,0,0,0,0|1,0,1]=4 10060 B11R0.4 CC=CC(=O)NCCCOCC 240690a_100000210961_100000210699 [0,2,0,0,0,0|1,0,1]=4 10061 B11R0.4 CC=CC(=O)NCCOCCC 1626a_100161115042_100000210699 [0,2,0,0,0,0|1,0,1]=4 10062 B11R0.4 CC=CC(=O)NCCOCCC 240690a_100161115042_100000210699 [0,2,0,0,0,0|1,0,1]=4 10063 B11R0.4 CC=CC(=O)NCCSCCC 11a_100020603323_100000210699 [0,2,0,0,0,0|1,0,1]=4 10064 B11R0.4 CC=CC(=O)NCCSCCC 240690a_100020603323_100000210699 [0,2,0,0,0,0|1,0,1]=4 10065 B11R0.4 CC=CC(=O)NNCCCCC 22a_100000694160_100000210699 [0,2,0,0,0,0|1,0,1]=4 10066 B11R0.4 CC=CCNCCC(=O)NCC 34a_100025743525_100000070051 [0,2,0,0,0,0|0,0,2]=4 10067 B11R0.4 CC=CCSCCC(=O)NCC 62a_100000070051_100000737597 [0,2,0,0,0,0|0,0,2]=4 10068 B11R0.4 CC=CCSCCC(=O)NCC 62a_100000737597_100000070051 [0,2,0,0,0,0|0,0,2]=4 10069 B11R0.4 CC=CCSCCC(=O)OCC 62a_100000070051_100000765890 [0,2,0,0,0,0|0,0,2]=4 10070 B11R0.4 CC=CCSCCC(=O)OCC 62a_100000765890_100000070051 [0,2,0,0,0,0|0,0,2]=4 10071 B11R0.4 CCC#CCNCC(=O)NCC 2230a_100016988866_100009813939 [0,2,0,0,0,0|0,0,2]=4 10072 B11R0.4 CCC#CCOCC(=O)NCC 34a_100000032950_100000183381 [0,2,0,0,0,0|0,0,2]=4 10073 B11R0.4 CCC#CCOCC(=O)OCC 34a_100000032950_100000188475 [0,2,0,0,0,0|0,0,2]=4 10074 B11R0.4 CCC#CCSCC(=O)CCC 62a_100000747444_100009813939 [0,2,0,0,0,0|0,0,2]=4 10075 B11R0.4 CCC#CCSCC(=O)CCC 62a_100009813939_100000747444 [0,2,0,0,0,0|0,0,2]=4 10076 B11R0.4 CCC#CCSCC(=O)NCC 62a_100000183381_100009813939 [0,2,0,0,0,0|0,0,2]=4 10077 B11R0.4 CCC#CCSCC(=O)NCC 62a_100009813939_100000183381 [0,2,0,0,0,0|0,0,2]=4 10078 B11R0.4 CCC#CCSCC(=O)OCC 62a_100000188475_100009813939 [0,2,0,0,0,0|0,0,2]=4 10079 B11R0.4 CCC#CCSCC(=O)OCC 62a_100009813939_100000188475 [0,2,0,0,0,0|0,0,2]=4 10080 B11R0.4 CCCC(=O)CCCCCC#N 1458a_100000211992_100009813376 [0,2,0,0,0,0|0,0,1]=3 10081 B11R0.4 CCCC(=O)CCCCCCF 1458a_100000211992_100015922095 [0,2,0,0,0,0|0,0,0]=2 10082 B11R0.4 CCCC(=O)CCCCCCO 1458a_100000211992_100000766143 [0,2,0,0,0,0|0,0,0]=2 10083 B11R0.4 CCCC(=O)CCCCCCO 1458a_100011996774_100000210303 [0,2,0,0,0,0|0,0,0]=2 10084 B11R0.4 CCCC(=O)CCCCCOC 1458a_100011935119_100000210303 [0,2,0,0,0,0|0,0,0]=2 10085 B11R0.4 CCCC(=O)CCCCN=[N+]=[N-] 1458a_100000070148_100000210303 [0,2,0,0,0,0|2,0,0]=4 10086 B11R0.4 CCCC(=O)CCOCCOC 1458a_100000211992_100000695917 [0,2,0,0,0,0|1,0,0]=3 10087 B11R0.4 CCCC(=O)CCOCCOC 1458a_100000745395_100000210303 [0,2,0,0,0,0|1,0,0]=3 10088 B11R0.4 CCCC(=O)CNCCCCO 2230a_100000750430_100000747444 [0,2,0,0,0,0|1,0,0]=3 10089 B11R0.4 CCCC(=O)CNCCCSC 2230a_100000749238_100000747444 [0,2,0,0,0,0|1,0,0]=3 10090 B11R0.4 CCCC(=O)CNCCOCC 2230a_102516460346_100000747444 [0,2,0,0,0,0|1,0,0]=3 10091 B11R0.4 CCCC(=O)CNCCSCC 2230a_100000106463_100000747444 [0,2,0,0,0,0|1,0,0]=3 10092 B11R0.4 CCCC(=O)COCCCCCl 7a_100000210776_100000747444 [0,2,0,0,0,0|1,0,0]=3 10093 B11R0.4 CCCC(=O)COCCCCF 7a_100011995726_100000747444 [0,2,0,0,0,0|1,0,0]=3 10094 B11R0.4 CCCC(=O)COCCCSC 7a_100000690336_100000747444 [0,2,0,0,0,0|1,0,0]=3 10095 B11R0.4 CCCC(=O)COCCOCC 7a_100000210136_100000747444 [0,2,0,0,0,0|1,0,0]=3 10096 B11R0.4 CCCC(=O)COCCSCC 7a_100000212035_100000747444 [0,2,0,0,0,0|1,0,0]=3 10097 B11R0.4 CCCC(=O)CSCCCC#N 62a_100000687738_100000747444 [0,2,0,0,0,0|1,0,1]=4 10098 B11R0.4 CCCC(=O)CSCCCC#N 62a_100000747444_100000687738 [0,2,0,0,0,0|1,0,1]=4 10099 B11R0.4 CCCC(=O)CSCCCC=O 62a_100000747444_200011292268 [0,2,0,0,0,0|1,0,1]=4 10100 B11R0.4 CCCC(=O)CSCCCC=O 62a_200011292268_100000747444 [0,2,0,0,0,0|1,0,1]=4 10101 B11R0.4 CCCC(=O)CSCCCCF 62a_100000729493_100000747444 [0,2,0,0,0,0|1,0,0]=3 10102 B11R0.4 CCCC(=O)CSCCCCF 62a_100000747444_100000729493 [0,2,0,0,0,0|1,0,0]=3 10103 B11R0.4 CCCC(=O)CSCCCCO 62a_100000210776_100000747444 [0,2,0,0,0,0|1,0,0]=3 10104 B11R0.4 CCCC(=O)CSCCCCO 62a_100000747444_100000210776 [0,2,0,0,0,0|1,0,0]=3 10105 B11R0.4 CCCC(=O)CSCCCOC 62a_100000709357_100000747444 [0,2,0,0,0,0|1,0,0]=3 10106 B11R0.4 CCCC(=O)CSCCCOC 62a_100000747444_100000709357 [0,2,0,0,0,0|1,0,0]=3 10107 B11R0.4 CCCC(=O)CSCCOCC 62a_100000210147_100000747444 [0,2,0,0,0,0|1,0,0]=3 10108 B11R0.4 CCCC(=O)CSCCOCC 62a_100000747444_100011215890 [0,2,0,0,0,0|1,0,0]=3 10109 B11R0.4 CCCC(=O)CSCCSCC 62a_100000747444_100000757381 [0,2,0,0,0,0|1,0,0]=3 10110 B11R0.4 CCCC(=O)CSCCSCC 62a_100000757381_100000747444 [0,2,0,0,0,0|1,0,0]=3 10111 B11R0.4 CCCC(=O)NCCCCC#N 11a_100000751965_100000211992 [0,2,0,0,0,0|1,0,1]=4 10112 B11R0.4 CCCC(=O)NCCCCC#N 1626a_100000751965_100000211992 [0,2,0,0,0,0|1,0,1]=4 10113 B11R0.4 CCCC(=O)NCCCCC#N 240690a_100000751965_100000211992 [0,2,0,0,0,0|1,0,1]=4 10114 B11R0.4 CCCC(=O)NCCCCC#N 527a_100000751965_100000211992 [0,2,0,0,0,0|1,0,1]=4 10115 B11R0.4 CCCC(=O)NCCCCCO 240690a_100000762737_100000211992 [0,2,0,0,0,0|1,0,0]=3 10116 B11R0.4 CCCC(=O)NCCCOCC 11a_100000210961_100000211992 [0,2,0,0,0,0|1,0,0]=3 10117 B11R0.4 CCCC(=O)NCCCOCC 1626a_100000210961_100000211992 [0,2,0,0,0,0|1,0,0]=3 10118 B11R0.4 CCCC(=O)NCCCOCC 240690a_100000210961_100000211992 [0,2,0,0,0,0|1,0,0]=3 10119 B11R0.4 CCCC(=O)NCCCOCC 527a_100000210961_100000211992 [0,2,0,0,0,0|1,0,0]=3 10120 B11R0.4 CCCC(=O)NCCOCCO 240690a_100000211614_100000211992 [0,2,0,0,0,0|2,0,0]=4 10121 B11R0.4 CCCC(=O)NCCSCCO 240690a_100011219999_100000211992 [0,2,0,0,0,0|2,0,0]=4 10122 B11R0.4 CCCC(=O)NCCSCCO 527a_100011219999_100000211992 [0,2,0,0,0,0|2,0,0]=4 10123 B11R0.4 CCCC(=O)NNCCCOC 22a_100025702787_100000211992 [0,2,0,0,0,0|2,0,0]=4 10124 B11R0.4 CCCC(=O)NNCCOCC 22a_100000732670_100000211992 [0,2,0,0,0,0|2,0,0]=4 10125 B11R0.4 CCCC(=O)OCNCCCF 2230a_100015189416_100000034017 [0,2,0,0,0,0|2,0,0]=4 10126 B11R0.4 CCCC(=O)OCNCCCF 34a_100015189416_100000034017 [0,2,0,0,0,0|2,0,0]=4 10127 B11R0.4 CCCC(=O)OCNCCOC 2230a_100000209980_100000034017 [0,2,0,0,0,0|2,0,0]=4 10128 B11R0.4 CCCC(=O)OCNCCSC 2230a_100020590264_100000034017 [0,2,0,0,0,0|2,0,0]=4 10129 B11R0.4 CCCC(=O)OCOCCCBr 34a_100011217188_100000034017 [0,2,0,0,0,0|2,0,0]=4 10130 B11R0.4 CCCC(=O)OCOCCCCl 34a_100000230001_100000034017 [0,2,0,0,0,0|2,0,0]=4 10131 B11R0.4 CCCC(=O)OCOCCCF 34a_100000759539_100000034017 [0,2,0,0,0,0|2,0,0]=4 10132 B11R0.4 CCCC(=O)OCOCCCN 34a_100000182051_100000034017 [0,2,0,0,0,0|2,0,0]=4 10133 B11R0.4 CCCC(=O)OCOCCOC 34a_100000210237_100000034017 [0,2,0,0,0,0|2,0,0]=4 10134 B11R0.4 CCCC(=O)OCOCCSC 34a_100000230434_100000034017 [0,2,0,0,0,0|2,0,0]=4 10135 B11R0.4 CCCC(=O)OCSCCCF 62a_100011934791_100000034017 [0,2,0,0,0,0|2,0,0]=4 10136 B11R0.4 CCCC(=O)OCSCCCO 62a_100011215043_100000034017 [0,2,0,0,0,0|2,0,0]=4 10137 B11R0.4 CCCC(=O)OCSCCOC 62a_100000233755_100000034017 [0,2,0,0,0,0|2,0,0]=4 10138 B11R0.4 CCCC(=O)OCSCCSC 62a_100000212216_100000034017 [0,2,0,0,0,0|2,0,0]=4 10139 B11R0.4 CCCC(=O)OCSCOCC 62a_100000739092_100000034017 [0,2,0,0,0,0|2,0,0]=4 10140 B11R0.4 CCCC/C=C/CC(=O)CC#N 1458a_200016282684_100011214920 [0,2,0,0,0,0|0,0,2]=4 10141 B11R0.4 CCCC/C=C/CC(=O)CCC 1458a_200016282684_100000210303 [0,2,0,0,0,0|0,0,1]=3 10142 B11R0.4 CCCC/C=C/CC(=O)CCF 1458a_200016282684_100011217306 [0,2,0,0,0,0|0,0,1]=3 10143 B11R0.4 CCCC/C=C/CC(=O)CCO 1458a_200016282684_100000211926 [0,2,0,0,0,0|0,0,1]=3 10144 B11R0.4 CCCC/C=C/CC(=O)NCC 11a_100015525214_200016282684 [0,2,0,0,0,0|0,0,1]=3 10145 B11R0.4 CCCC/C=C/CC(=O)NCC 240690a_100015525214_200016282684 [0,2,0,0,0,0|0,0,1]=3 10146 B11R0.4 CCCC/C=C/CC(=O)NCC 527a_100015525214_200016282684 [0,2,0,0,0,0|0,0,1]=3 10147 B11R0.4 CCCC/C=C/CC(=O)NNC 22a_100016993582_200016282684 [0,2,0,0,0,0|1,0,1]=4 10148 B11R0.4 CCCCC=NNC(=O)CCC 4a_100000189770_100000210104 [0,2,0,0,0,0|1,0,1]=4 10149 B11R0.4 CCCCC=NNC(=O)COC 4a_100000216845_100000210104 [0,2,0,0,0,0|1,0,1]=4 10150 B11R0.4 CCCCCC#CC(=O)CC#N 1458a_100011215388_100011214920 [0,2,0,0,0,0|0,0,2]=4 10151 B11R0.4 CCCCCC#CC(=O)CCC 1458a_100011215388_100000210303 [0,2,0,0,0,0|0,0,1]=3 10152 B11R0.4 CCCCCC#CC(=O)CCF 1458a_100011215388_100011217306 [0,2,0,0,0,0|0,0,1]=3 10153 B11R0.4 CCCCCC#CC(=O)CCO 1458a_100011215388_100000211926 [0,2,0,0,0,0|0,0,1]=3 10154 B11R0.4 CCCCCC#CC(=O)NCC 240690a_100015525214_100011215388 [0,2,0,0,0,0|0,0,1]=3 10155 B11R0.4 CCCCCC#CC(=O)NNC 22a_100016993582_100011215388 [0,2,0,0,0,0|1,0,1]=4 10156 B11R0.4 CCCCCC=CC(=O)CC#N 1458a_100016263427_100011214920 [0,2,0,0,0,0|0,0,2]=4 10157 B11R0.4 CCCCCC=CC(=O)CCC 1458a_100016263427_100000210303 [0,2,0,0,0,0|0,0,1]=3 10158 B11R0.4 CCCCCC=CC(=O)CCF 1458a_100016263427_100011217306 [0,2,0,0,0,0|0,0,1]=3 10159 B11R0.4 CCCCCC=CC(=O)CCO 1458a_100016263427_100000211926 [0,2,0,0,0,0|0,0,1]=3 10160 B11R0.4 CCCCCC=CC(=O)NCC 11a_100015525214_100016263427 [0,2,0,0,0,0|0,0,1]=3 10161 B11R0.4 CCCCCC=CC(=O)NCC 240690a_100015525214_100016263427 [0,2,0,0,0,0|0,0,1]=3 10162 B11R0.4 CCCCCC=CC(=O)NNC 22a_100016993582_100016263427 [0,2,0,0,0,0|1,0,1]=4 10163 B11R0.4 CCCCCCCC(=O)C=CBr 1458a_100016273825_100000210614 [0,2,0,0,0,0|0,0,2]=4 10164 B11R0.4 CCCCCCCC(=O)C=CCl 1458a_200016279998_100000210614 [0,2,0,0,0,0|0,0,2]=4 10165 B11R0.4 CCCCCCCC(=O)C=CI 1458a_100016256311_100000210614 [0,2,0,0,0,0|0,0,2]=4 10166 B11R0.4 CCCCCCCC(=O)CC#N 1458a_100000211969_100011214920 [0,2,0,0,0,0|0,0,1]=3 10167 B11R0.4 CCCCCCCC(=O)CC#N 1458a_100051588842_100000210614 [0,2,0,0,0,0|0,0,1]=3 10168 B11R0.4 CCCCCCCC(=O)CCC 1458a_100000211969_100000210303 [0,2,0,0,0,0|0,0,0]=2 10169 B11R0.4 CCCCCCCC(=O)CCC 1458a_100000211992_100000210614 [0,2,0,0,0,0|0,0,0]=2 10170 B11R0.4 CCCCCCCC(=O)CCF 1458a_100000211969_100011217306 [0,2,0,0,0,0|0,0,0]=2 10171 B11R0.4 CCCCCCCC(=O)CCO 1458a_100000211969_100000211926 [0,2,0,0,0,0|0,0,0]=2 10172 B11R0.4 CCCCCCCC(=O)CCO 1458a_100011216618_100000210614 [0,2,0,0,0,0|0,0,0]=2 10173 B11R0.4 CCCCCCCC(=O)COC 1458a_100000210968_100000210614 [0,2,0,0,0,0|0,0,0]=2 10174 B11R0.4 CCCCCCCC(=O)CSC 1458a_100000184570_100000210614 [0,2,0,0,0,0|0,0,0]=2 10175 B11R0.4 CCCCCCCC(=O)NCC 11a_100015525214_100000211969 [0,2,0,0,0,0|0,0,0]=2 10176 B11R0.4 CCCCCCCC(=O)NCC 240690a_100015525214_100000211969 [0,2,0,0,0,0|0,0,0]=2 10177 B11R0.4 CCCCCCCC(=O)NCC 527a_100015525214_100000211969 [0,2,0,0,0,0|0,0,0]=2 10178 B11R0.4 CCCCCCCC(=O)NNC 22a_100016993582_100000211969 [0,2,0,0,0,0|1,0,0]=3 10179 B11R0.4 CCCCCCCC(C)NCC 2230a_100015525214_200011218727 [0,2,0,0,0,0|1,0,1]=4 10180 B11R0.4 CCCCCCCC(C)NCC 270004a_100015525214_100000210596 [0,2,0,0,0,0|1,0,1]=4 10181 B11R0.4 CCCCCCCC(C)OCC 34a_100121572206_200011218727 [0,2,0,0,0,0|1,0,1]=4 10182 B11R0.4 CCCCCCCC(C)OCC 34a_200011215852_100000210202 [0,2,0,0,0,0|1,0,1]=4 10183 B11R0.4 CCCCCCCC(C)OCC 7a_200011215852_100000210202 [0,2,0,0,0,0|1,0,1]=4 10184 B11R0.4 CCCCCCCC(C)SCC 62a_100000210202_200011218727 [0,2,0,0,0,0|1,0,1]=4 10185 B11R0.4 CCCCCCCC(C)SCC 62a_200011218727_100000210202 [0,2,0,0,0,0|1,0,1]=4 10186 B11R0.4 CCCCCCCN(C)CCC 2230a_100000228206_100000210303 [0,2,0,0,0,0|2,0,0]=4 10187 B11R0.4 CCCCCCCN(C)CCC 2230a_100000747261_100000210681 [0,2,0,0,0,0|2,0,0]=4 10188 B11R0.4 CCCCCCCN(C)CCC 269982a_100000228206_100000210303 [0,2,0,0,0,0|2,0,0]=4 10189 B11R0.4 CCCCCCCN(C)CCC 269982a_100000747261_100000210681 [0,2,0,0,0,0|2,0,0]=4 10190 B11R0.4 CCCCCCCN(C)CCF 2230a_100000228206_100011217306 [0,2,0,0,0,0|2,0,0]=4 10191 B11R0.4 CCCCCCCN(C)CCF 269982a_100000228206_100011217306 [0,2,0,0,0,0|2,0,0]=4 10192 B11R0.4 CCCCCCCN(C)CCO 2230a_100000210263_100000210681 [0,2,0,0,0,0|2,0,0]=4 10193 B11R0.4 CCCCCCCN(C)CCO 2230a_100000228206_100000211926 [0,2,0,0,0,0|2,0,0]=4 10194 B11R0.4 CCCCCCCN(C)CCO 269982a_100000210263_100000210681 [0,2,0,0,0,0|2,0,0]=4 10195 B11R0.4 CCCCCCCN(C)CCO 269982a_100000228206_100000211926 [0,2,0,0,0,0|2,0,0]=4 10196 B11R0.4 CCCCCCCN(C)COC 2230a_100000228206_100000766300 [0,2,0,0,0,0|2,0,0]=4 10197 B11R0.4 CCCCCCCN(C)COC 269982a_100000228206_100000766300 [0,2,0,0,0,0|2,0,0]=4 10198 B11R0.4 CCCCCCCN(C)CSC 2230a_100000228206_100011218213 [0,2,0,0,0,0|2,0,0]=4 10199 B11R0.4 CCCCCCCN(C)CSC 269982a_100000228206_100011218213 [0,2,0,0,0,0|2,0,0]=4 10200 B11R0.4 CCCCCCNC(=O)C=CBr 1626a_100000210581_100016273825 [0,2,0,0,0,0|0,0,2]=4 10201 B11R0.4 CCCCCCNC(=O)C=CBr 240690a_100000210581_100016273825 [0,2,0,0,0,0|0,0,2]=4 10202 B11R0.4 CCCCCCNC(=O)C=CCl 11a_100000210581_200016279998 [0,2,0,0,0,0|0,0,2]=4 10203 B11R0.4 CCCCCCNC(=O)C=CCl 1626a_100000210581_200016279998 [0,2,0,0,0,0|0,0,2]=4 10204 B11R0.4 CCCCCCNC(=O)C=CCl 240690a_100000210581_200016279998 [0,2,0,0,0,0|0,0,2]=4 10205 B11R0.4 CCCCCCNC(=O)C=CI 1626a_100000210581_100016256311 [0,2,0,0,0,0|0,0,2]=4 10206 B11R0.4 CCCCCCNC(=O)CC#N 1626a_100000210581_100051588842 [0,2,0,0,0,0|0,0,1]=3 10207 B11R0.4 CCCCCCNC(=O)CC#N 240690a_100000210581_100051588842 [0,2,0,0,0,0|0,0,1]=3 10208 B11R0.4 CCCCCCNC(=O)CCC 11a_100000210581_100000211992 [0,2,0,0,0,0|0,0,0]=2 10209 B11R0.4 CCCCCCNC(=O)CCC 1626a_100000210581_100000211992 [0,2,0,0,0,0|0,0,0]=2 10210 B11R0.4 CCCCCCNC(=O)CCC 240690a_100000210581_100000211992 [0,2,0,0,0,0|0,0,0]=2 10211 B11R0.4 CCCCCCNC(=O)CCC 527a_100000210581_100000211992 [0,2,0,0,0,0|0,0,0]=2 10212 B11R0.4 CCCCCCNC(=O)CCO 240690a_100000210581_100011216618 [0,2,0,0,0,0|0,0,0]=2 10213 B11R0.4 CCCCCCNC(=O)CNC 2230a_106832991635_100000230325 [0,2,0,0,0,0|0,0,0]=2 10214 B11R0.4 CCCCCCNC(=O)CNC 34a_100102657272_100000230325 [0,2,0,0,0,0|0,0,0]=2 10215 B11R0.4 CCCCCCNC(=O)CNC 7a_106832991635_100000230325 [0,2,0,0,0,0|0,0,0]=2 10216 B11R0.4 CCCCCCNC(=O)COC 11a_100000210581_100000210968 [0,2,0,0,0,0|0,0,0]=2 10217 B11R0.4 CCCCCCNC(=O)COC 1626a_100000210581_100000210968 [0,2,0,0,0,0|0,0,0]=2 10218 B11R0.4 CCCCCCNC(=O)COC 240690a_100000210581_100000210968 [0,2,0,0,0,0|0,0,0]=2 10219 B11R0.4 CCCCCCNC(=O)COC 34a_100138415774_100000230325 [0,2,0,0,0,0|0,0,0]=2 10220 B11R0.4 CCCCCCNC(=O)COC 527a_100000210581_100000210968 [0,2,0,0,0,0|0,0,0]=2 10221 B11R0.4 CCCCCCNC(=O)CSC 11a_100000210581_100000184570 [0,2,0,0,0,0|0,0,0]=2 10222 B11R0.4 CCCCCCNC(=O)CSC 1626a_100000210581_100000184570 [0,2,0,0,0,0|0,0,0]=2 10223 B11R0.4 CCCCCCNC(=O)CSC 240690a_100000210581_100000184570 [0,2,0,0,0,0|0,0,0]=2 10224 B11R0.4 CCCCCCNC(=O)CSC 527a_100000210581_100000184570 [0,2,0,0,0,0|0,0,0]=2 10225 B11R0.4 CCCCCCNC(=O)CSC 62a_100000230325_200000210301 [0,2,0,0,0,0|0,0,0]=2 10226 B11R0.4 CCCCCCNC(=O)CS[13CH3] 62a_100000230325_200025704644 [0,2,0,0,0,0|0,0,0]=2 10227 B11R0.4 CCCCCCNC(=O)NCC 2708a_100000210581_100015525214 [0,2,0,0,0,0|0,0,0]=2 10228 B11R0.4 CCCCCCNC(=O)NCC 2708a_100015525214_100000210581 [0,2,0,0,0,0|0,0,0]=2 10229 B11R0.4 CCCCCCNC(=O)NCC 273464a_100000210581_100015525214 [0,2,0,0,0,0|0,0,0]=2 10230 B11R0.4 CCCCCCNC(=O)NCC 273464a_100015525214_100000210581 [0,2,0,0,0,0|0,0,0]=2 10231 B11R0.4 CCCCCCNC(=O)NCC 512a_100000210581_100015525214 [0,2,0,0,0,0|0,0,0]=2 10232 B11R0.4 CCCCCCNC(=O)NCC 512a_100015525214_100000210581 [0,2,0,0,0,0|0,0,0]=2 10233 B11R0.4 CCCCCCNC(=O)NNC 273464a_100000210581_100016993582 [0,2,0,0,0,0|1,0,0]=3 10234 B11R0.4 CCCCCCNC(=O)NNC 512a_100000210581_100016993582 [0,2,0,0,0,0|1,0,0]=3 10235 B11R0.4 CCCCCCNC(=O)NNC 512a_100016993582_100000210581 [0,2,0,0,0,0|1,0,0]=3 10236 B11R0.4 CCCCCCNC(C)CCC 2230a_100000210581_100000766640 [0,2,0,0,0,0|1,0,1]=4 10237 B11R0.4 CCCCCCNC(C)CCC 2230a_100000741246_100000210314 [0,2,0,0,0,0|1,0,1]=4 10238 B11R0.4 CCCCCCNC(C)CCC 270004a_100000210581_100000211909 [0,2,0,0,0,0|1,0,1]=4 10239 B11R0.4 CCCCCCNC(C)CCO 2230a_100000210581_100009893172 [0,2,0,0,0,0|1,0,1]=4 10240 B11R0.4 CCCCCCNC(C)COC 2230a_100000210581_100000765312 [0,2,0,0,0,0|1,0,1]=4 10241 B11R0.4 CCCCCCNC(C)COC 270004a_100000210581_100000749346 [0,2,0,0,0,0|1,0,1]=4 10242 B11R0.4 CCCCCCNC(C)CSC 270004a_100000210581_100011216314 [0,2,0,0,0,0|1,0,1]=4 10243 B11R0.4 CCCCCCN[C@H](C)CCO 2230a_100000706166_100000210314 [0,2,0,0,0,0|1,0,1]=4 10244 B11R0.4 CCCCCCN[C@H](C)CCO 34a_100000706166_100000210314 [0,2,0,0,0,0|1,0,1]=4 10245 B11R0.4 CCCCCCN[C@H](C)COC 2230a_100000764878_100000210314 [0,2,0,0,0,0|1,0,1]=4 10246 B11R0.4 CCCCCCOC(C)CCBr 34a_100012276601_100000210314 [0,2,0,0,0,0|1,0,1]=4 10247 B11R0.4 CCCCCCOC(C)CCC 34a_100000210259_100000766640 [0,2,0,0,0,0|1,0,1]=4 10248 B11R0.4 CCCCCCOC(C)CCC 34a_100000764384_100000210314 [0,2,0,0,0,0|1,0,1]=4 10249 B11R0.4 CCCCCCOC(C)CCC 7a_100000210259_100000766640 [0,2,0,0,0,0|1,0,1]=4 10250 B11R0.4 CCCCCCOC(C)CCC 7a_100000764384_100000210314 [0,2,0,0,0,0|1,0,1]=4 10251 B11R0.4 CCCCCCOC(C)CCO 34a_100000210259_100009893172 [0,2,0,0,0,0|1,0,1]=4 10252 B11R0.4 CCCCCCOC(C)CCO 7a_100000210259_100009893172 [0,2,0,0,0,0|1,0,1]=4 10253 B11R0.4 CCCCCCOC(C)COC 34a_100000210259_100000765312 [0,2,0,0,0,0|1,0,1]=4 10254 B11R0.4 CCCCCCOC(C)COC 7a_100000210259_100000765312 [0,2,0,0,0,0|1,0,1]=4 10255 B11R0.4 CCCCCCO[C@H](C)COC 34a_100011934205_100000210314 [0,2,0,0,0,0|1,0,1]=4 10256 B11R0.4 CCCCCCSC(C)CCC 62a_100000210314_100000766640 [0,2,0,0,0,0|1,0,1]=4 10257 B11R0.4 CCCCCCSC(C)CCC 62a_100000766640_100000210757 [0,2,0,0,0,0|1,0,1]=4 10258 B11R0.4 CCCCCCSC(C)CCO 62a_100000210314_100009893172 [0,2,0,0,0,0|1,0,1]=4 10259 B11R0.4 CCCCCCSC(C)CCO 62a_100009893172_100000210757 [0,2,0,0,0,0|1,0,1]=4 10260 B11R0.4 CCCCCCSC(C)COC 62a_100000210314_100000765312 [0,2,0,0,0,0|1,0,1]=4 10261 B11R0.4 CCCCCCSC(C)COC 62a_100000765312_100000210757 [0,2,0,0,0,0|1,0,1]=4 10262 B11R0.4 CCCCCNCC(=O)CCC 2230a_100000209983_100000747444 [0,2,0,0,0,0|0,0,0]=2 10263 B11R0.4 CCCCCNCC(=O)NCC 2230a_100000209983_100000183381 [0,2,0,0,0,0|0,0,0]=2 10264 B11R0.4 CCCCCNCC(=O)NCC 2230a_100016988866_100000210326 [0,2,0,0,0,0|0,0,0]=2 10265 B11R0.4 CCCCCNCC(=O)NCO 2230a_100000209983_100000185155 [0,2,0,0,0,0|1,0,0]=3 10266 B11R0.4 CCCCCNCC(=O)OCC 2230a_100000209983_100000188475 [0,2,0,0,0,0|0,0,0]=2 10267 B11R0.4 CCCCCNCC(C)CCC 2230a_100000209983_100011216630 [0,2,0,0,0,0|1,0,1]=4 10268 B11R0.4 CCCCCNCC(C)CCC 270004a_100000209983_100000243154 [0,2,0,0,0,0|1,0,1]=4 10269 B11R0.4 CCCCCNCC(O)COC 2230a_100000756049_100000210326 [0,2,0,0,0,0|0,0,2]=4 10270 B11R0.4 CCCCCNCC(O)COC 34a_100000756049_100000718602 [0,2,0,0,0,0|0,0,2]=4 10271 B11R0.4 CCCCCNN=C(C)CCC 4a_100000694160_100000211909 [0,2,0,0,0,0|2,0,0]=4 10272 B11R0.4 CCCCCNN=C(C)COC 4a_100000694160_100000749346 [0,2,0,0,0,0|2,0,0]=4 10273 B11R0.4 CCCCCNN=C(C)CSC 4a_100000694160_100011216314 [0,2,0,0,0,0|2,0,0]=4 10274 B11R0.4 CCCCCNNC(=O)CC#N 22a_100000694160_100051588842 [0,2,0,0,0,0|1,0,1]=4 10275 B11R0.4 CCCCCNNC(=O)CCC 22a_100000694160_100000211992 [0,2,0,0,0,0|1,0,0]=3 10276 B11R0.4 CCCCCNNC(=O)CCO 22a_100000694160_100011216618 [0,2,0,0,0,0|1,0,0]=3 10277 B11R0.4 CCCCCNNC(=O)COC 22a_100000694160_100000210968 [0,2,0,0,0,0|1,0,0]=3 10278 B11R0.4 CCCCCNNC(=O)CSC 22a_100000694160_100000184570 [0,2,0,0,0,0|1,0,0]=3 10279 B11R0.4 CCCCCNNC(=O)NCC 273464a_100015525214_100000694160 [0,2,0,0,0,0|1,0,0]=3 10280 B11R0.4 CCCCCNNC(=O)NCC 512a_100000694160_100015525214 [0,2,0,0,0,0|1,0,0]=3 10281 B11R0.4 CCCCCNNC(=O)NCC 512a_100015525214_100000694160 [0,2,0,0,0,0|1,0,0]=3 10282 B11R0.4 CCCCCNNC(=O)NNC 512a_100000694160_100016993582 [0,2,0,0,0,0|2,0,0]=4 10283 B11R0.4 CCCCCNNC(=O)NNC 512a_100016993582_100000694160 [0,2,0,0,0,0|2,0,0]=4 10284 B11R0.4 CCCCCOCC(=O)CCC 7a_100000210253_100000747444 [0,2,0,0,0,0|0,0,0]=2 10285 B11R0.4 CCCCCOCC(=O)NCC 34a_100000210253_100000183381 [0,2,0,0,0,0|0,0,0]=2 10286 B11R0.4 CCCCCOCC(=O)NCC 7a_100000210253_100000183381 [0,2,0,0,0,0|0,0,0]=2 10287 B11R0.4 CCCCCOCC(=O)NCO 34a_100000210253_100000185155 [0,2,0,0,0,0|1,0,0]=3 10288 B11R0.4 CCCCCOCC(=O)NCO 7a_100000210253_100000185155 [0,2,0,0,0,0|1,0,0]=3 10289 B11R0.4 CCCCCOCC(=O)OCC 34a_100000210253_100000188475 [0,2,0,0,0,0|0,0,0]=2 10290 B11R0.4 CCCCCOCC(=O)OCC 7a_100000210253_100000188475 [0,2,0,0,0,0|0,0,0]=2 10291 B11R0.4 CCCCCOCC(C)CCC 34a_100000210253_100011216630 [0,2,0,0,0,0|1,0,1]=4 10292 B11R0.4 CCCCCOCC(C)CCC 34a_100000688023_100000718602 [0,2,0,0,0,0|1,0,1]=4 10293 B11R0.4 CCCCCOCC(C)CCC 7a_100000210253_100011216630 [0,2,0,0,0,0|1,0,1]=4 10294 B11R0.4 CCCCCOCC(C)CCC 7a_100000688023_100000210326 [0,2,0,0,0,0|1,0,1]=4 10295 B11R0.4 CCCCCOCC(C)CCN 34a_106354213184_100000718602 [0,2,0,0,0,0|1,0,1]=4 10296 B11R0.4 CCCCCOCC(N)COC 34a_100000724102_100000718602 [0,2,0,0,0,0|1,0,1]=4 10297 B11R0.4 CCCCCOCC(O)COC 34a_100000210253_100011215053 [0,2,0,0,0,0|0,0,2]=4 10298 B11R0.4 CCCCCOCC(O)COC 7a_100000210253_100011215053 [0,2,0,0,0,0|0,0,2]=4 10299 B11R0.4 CCCCCOC[C@@H](N)CCC 34a_100000732646_100000718602 [0,2,0,0,0,0|1,0,1]=4 10300 B11R0.4 CCCCCSCC(=O)CCC 62a_100000210326_100000747444 [0,2,0,0,0,0|0,0,0]=2 10301 B11R0.4 CCCCCSCC(=O)CCC 62a_100000747444_100000210326 [0,2,0,0,0,0|0,0,0]=2 10302 B11R0.4 CCCCCSCC(=O)NCC 62a_100000183381_100000210326 [0,2,0,0,0,0|0,0,0]=2 10303 B11R0.4 CCCCCSCC(=O)NCC 62a_100000210326_100000183381 [0,2,0,0,0,0|0,0,0]=2 10304 B11R0.4 CCCCCSCC(=O)NCO 62a_100000185155_100000210326 [0,2,0,0,0,0|1,0,0]=3 10305 B11R0.4 CCCCCSCC(=O)NCO 62a_100000210326_100000185155 [0,2,0,0,0,0|1,0,0]=3 10306 B11R0.4 CCCCCSCC(=O)OCC 62a_100000188475_100000210326 [0,2,0,0,0,0|0,0,0]=2 10307 B11R0.4 CCCCCSCC(=O)OCC 62a_100000210326_100000188475 [0,2,0,0,0,0|0,0,0]=2 10308 B11R0.4 CCCCCSCC(C)CCC 62a_100000210326_100011216630 [0,2,0,0,0,0|1,0,1]=4 10309 B11R0.4 CCCCCSCC(C)CCC 62a_100011216630_100000210326 [0,2,0,0,0,0|1,0,1]=4 10310 B11R0.4 CCCCCSCC(O)COC 62a_100000210326_100011215053 [0,2,0,0,0,0|0,0,2]=4 10311 B11R0.4 CCCCCSCC(O)COC 62a_100011215053_100000210326 [0,2,0,0,0,0|0,0,2]=4 10312 B11R0.4 CCCCNCCC(=O)NCC 2230a_100000102301_100000737597 [0,2,0,0,0,0|0,0,0]=2 10313 B11R0.4 CCCCNCCC(=O)NCC 34a_100025743525_100000210210 [0,2,0,0,0,0|0,0,0]=2 10314 B11R0.4 CCCCNCCC(=O)NCC 7a_106832991798_100000737597 [0,2,0,0,0,0|0,0,0]=2 10315 B11R0.4 CCCCNCCC(=O)OCC 2230a_100000102301_100011206558 [0,2,0,0,0,0|0,0,0]=2 10316 B11R0.4 CCCCNCCC(=O)OCC 7a_106832991798_100011206558 [0,2,0,0,0,0|0,0,0]=2 10317 B11R0.4 CCCCNCOC(=O)CCC 2230a_100000102301_100000034017 [0,2,0,0,0,0|1,0,0]=3 10318 B11R0.4 CCCCNN=CC(=O)OCC 4a_100025702795_100000742314 [0,2,0,0,0,0|1,0,1]=4 10319 B11R0.4 CCCCOCCC(=O)C=CBr 1458a_100016273825_100000743108 [0,2,0,0,0,0|0,0,2]=4 10320 B11R0.4 CCCCOCCC(=O)C=CCl 1458a_200016279998_100000743108 [0,2,0,0,0,0|0,0,2]=4 10321 B11R0.4 CCCCOCCC(=O)C=CI 1458a_100016256311_100000743108 [0,2,0,0,0,0|0,0,2]=4 10322 B11R0.4 CCCCOCCC(=O)CC#N 1458a_100051588842_100000743108 [0,2,0,0,0,0|0,0,1]=3 10323 B11R0.4 CCCCOCCC(=O)CCC 1458a_100000211992_100000743108 [0,2,0,0,0,0|0,0,0]=2 10324 B11R0.4 CCCCOCCC(=O)CCO 1458a_100011216618_100000743108 [0,2,0,0,0,0|0,0,0]=2 10325 B11R0.4 CCCCOCCC(=O)COC 1458a_100000210968_100000743108 [0,2,0,0,0,0|0,0,0]=2 10326 B11R0.4 CCCCOCCC(=O)CSC 1458a_100000184570_100000743108 [0,2,0,0,0,0|0,0,0]=2 10327 B11R0.4 CCCCOCCC(=O)NCC 7a_100000210227_100000737597 [0,2,0,0,0,0|0,0,0]=2 10328 B11R0.4 CCCCOCCC(=O)OCC 34a_100000210227_100000765890 [0,2,0,0,0,0|0,0,0]=2 10329 B11R0.4 CCCCOCCC(=O)OCC 7a_100000210227_100011206558 [0,2,0,0,0,0|0,0,0]=2 10330 B11R0.4 CCCCOCCC(C)CCC 34a_100011217855_100000210210 [0,2,0,0,0,0|1,0,1]=4 10331 B11R0.4 CCCCOCCC(C)CCC 7a_100011217855_100000210211 [0,2,0,0,0,0|1,0,1]=4 10332 B11R0.4 CCCCOCCN(C)CCC 2230a_100000747261_100000743108 [0,2,0,0,0,0|2,0,0]=4 10333 B11R0.4 CCCCOCCN(C)CCC 269982a_100000747261_100000743108 [0,2,0,0,0,0|2,0,0]=4 10334 B11R0.4 CCCCOCCN(C)CCO 2230a_100000210263_100000743108 [0,2,0,0,0,0|2,0,0]=4 10335 B11R0.4 CCCCOCCN(C)CCO 269982a_100000210263_100000743108 [0,2,0,0,0,0|2,0,0]=4 10336 B11R0.4 CCCCOCC[C@@H](N)CCC 34a_100015193777_100000210210 [0,2,0,0,0,0|1,0,1]=4 10337 B11R0.4 CCCCOCOC(=O)CCC 34a_100000210227_100000034017 [0,2,0,0,0,0|1,0,0]=3 10338 B11R0.4 CCCCSCCC(=O)NCC 62a_100000210211_100000737597 [0,2,0,0,0,0|0,0,0]=2 10339 B11R0.4 CCCCSCCC(=O)NCC 62a_100000737597_100000210210 [0,2,0,0,0,0|0,0,0]=2 10340 B11R0.4 CCCCSCCC(=O)OCC 62a_100000210211_100000765890 [0,2,0,0,0,0|0,0,0]=2 10341 B11R0.4 CCCCSCCC(=O)OCC 62a_100000765890_100000210210 [0,2,0,0,0,0|0,0,0]=2 10342 B11R0.4 CCCCSCOC(=O)CCC 62a_100000210211_100000034017 [0,2,0,0,0,0|1,0,0]=3 10343 B11R0.4 CCCCSCOC(=O)OCC 62a_100000210211_100000075025 [0,2,0,0,0,0|1,0,0]=3 10344 B11R0.4 CCCN(C)CCCCCCF 2230a_100000747261_100015922095 [0,2,0,0,0,0|2,0,0]=4 10345 B11R0.4 CCCN(C)CCCCCCF 269982a_100000747261_100015922095 [0,2,0,0,0,0|2,0,0]=4 10346 B11R0.4 CCCN(C)CCCCCCO 2230a_100000747261_100000766143 [0,2,0,0,0,0|2,0,0]=4 10347 B11R0.4 CCCN(C)CCCCCCO 269982a_100000747261_100000766143 [0,2,0,0,0,0|2,0,0]=4 10348 B11R0.4 CCCOC/C=C/C(=O)OCC 34a_100000210258_100016267167 [0,2,0,0,0,0|0,0,2]=4 10349 B11R0.4 CCCOCCCC(=O)OCC 34a_100000210258_100009991533 [0,2,0,0,0,0|0,0,0]=2 10350 B11R0.4 CCCOCCCC(=O)OCC 7a_100012001163_100000210303 [0,2,0,0,0,0|0,0,0]=2 10351 B11R0.4 CCCOCCCC(C)CCC 34a_100011713154_100000210303 [0,2,0,0,0,0|1,0,1]=4 10352 B11R0.4 CCCOCCCC(C)CCC 7a_100011713154_100000210303 [0,2,0,0,0,0|1,0,1]=4 10353 B11R0.4 CCCOCCNC(=O)CC#N 1626a_100161115042_100051588842 [0,2,0,0,0,0|1,0,1]=4 10354 B11R0.4 CCCOCCNC(=O)CC#N 240690a_100161115042_100051588842 [0,2,0,0,0,0|1,0,1]=4 10355 B11R0.4 CCCOCCNC(=O)CCC 1626a_100161115042_100000211992 [0,2,0,0,0,0|1,0,0]=3 10356 B11R0.4 CCCOCCNC(=O)CCC 240690a_100161115042_100000211992 [0,2,0,0,0,0|1,0,0]=3 10357 B11R0.4 CCCOCCNC(=O)CCC 527a_100161115042_100000211992 [0,2,0,0,0,0|1,0,0]=3 10358 B11R0.4 CCCOCCNC(=O)CCO 240690a_100161115042_100011216618 [0,2,0,0,0,0|1,0,0]=3 10359 B11R0.4 CCCOCCNC(=O)COC 1626a_100161115042_100000210968 [0,2,0,0,0,0|1,0,0]=3 10360 B11R0.4 CCCOCCNC(=O)COC 240690a_100161115042_100000210968 [0,2,0,0,0,0|1,0,0]=3 10361 B11R0.4 CCCOCCNC(=O)COC 527a_100161115042_100000210968 [0,2,0,0,0,0|1,0,0]=3 10362 B11R0.4 CCCOCCNC(=O)CSC 1626a_100161115042_100000184570 [0,2,0,0,0,0|1,0,0]=3 10363 B11R0.4 CCCOCCNC(=O)CSC 240690a_100161115042_100000184570 [0,2,0,0,0,0|1,0,0]=3 10364 B11R0.4 CCCOCCNC(=O)CSC 527a_100161115042_100000184570 [0,2,0,0,0,0|1,0,0]=3 10365 B11R0.4 CCCOCCNC(=O)NCC 2708a_100015525214_100161115042 [0,2,0,0,0,0|1,0,0]=3 10366 B11R0.4 CCCOCCNC(=O)NCC 2708a_100161115042_100015525214 [0,2,0,0,0,0|1,0,0]=3 10367 B11R0.4 CCCOCCNC(=O)NCC 273464a_100015525214_100161115042 [0,2,0,0,0,0|1,0,0]=3 10368 B11R0.4 CCCOCCNC(=O)NCC 273464a_100161115042_100015525214 [0,2,0,0,0,0|1,0,0]=3 10369 B11R0.4 CCCOCCNC(=O)NCC 512a_100015525214_100161115042 [0,2,0,0,0,0|1,0,0]=3 10370 B11R0.4 CCCOCCNC(=O)NCC 512a_100161115042_100015525214 [0,2,0,0,0,0|1,0,0]=3 10371 B11R0.4 CCCOCCNC(=O)NNC 273464a_100161115042_100016993582 [0,2,0,0,0,0|2,0,0]=4 10372 B11R0.4 CCCOCCNC(=O)NNC 512a_100016993582_100161115042 [0,2,0,0,0,0|2,0,0]=4 10373 B11R0.4 CCCOCCNC(=O)NNC 512a_100161115042_100016993582 [0,2,0,0,0,0|2,0,0]=4 10374 B11R0.4 CCCOCCNC(=O)OCC 34a_100000158857_100000210303 [0,2,0,0,0,0|1,0,0]=3 10375 B11R0.4 CCCSC/C=C/C(=O)OCC 62a_100000210303_100016267167 [0,2,0,0,0,0|0,0,2]=4 10376 B11R0.4 CCCSC/C=C/C(=O)OCC 62a_100016267167_100000210303 [0,2,0,0,0,0|0,0,2]=4 10377 B11R0.4 CCCSCCCC(=O)OCC 62a_100000210303_100009991533 [0,2,0,0,0,0|0,0,0]=2 10378 B11R0.4 CCCSCCCC(=O)OCC 62a_100009991533_100000210303 [0,2,0,0,0,0|0,0,0]=2 10379 B11R0.4 CCCSCCNC(=O)CC#N 240690a_100020603323_100051588842 [0,2,0,0,0,0|1,0,1]=4 10380 B11R0.4 CCCSCCNC(=O)CCC 11a_100020603323_100000211992 [0,2,0,0,0,0|1,0,0]=3 10381 B11R0.4 CCCSCCNC(=O)CCC 240690a_100020603323_100000211992 [0,2,0,0,0,0|1,0,0]=3 10382 B11R0.4 CCCSCCNC(=O)CCC 527a_100020603323_100000211992 [0,2,0,0,0,0|1,0,0]=3 10383 B11R0.4 CCCSCCNC(=O)CCO 240690a_100020603323_100011216618 [0,2,0,0,0,0|1,0,0]=3 10384 B11R0.4 CCCSCCNC(=O)COC 11a_100020603323_100000210968 [0,2,0,0,0,0|1,0,0]=3 10385 B11R0.4 CCCSCCNC(=O)COC 240690a_100020603323_100000210968 [0,2,0,0,0,0|1,0,0]=3 10386 B11R0.4 CCCSCCNC(=O)COC 527a_100020603323_100000210968 [0,2,0,0,0,0|1,0,0]=3 10387 B11R0.4 CCCSCCNC(=O)CSC 11a_100020603323_100000184570 [0,2,0,0,0,0|1,0,0]=3 10388 B11R0.4 CCCSCCNC(=O)CSC 240690a_100020603323_100000184570 [0,2,0,0,0,0|1,0,0]=3 10389 B11R0.4 CCCSCCNC(=O)CSC 527a_100020603323_100000184570 [0,2,0,0,0,0|1,0,0]=3 10390 B11R0.4 CCCSCCNC(=O)NCC 2708a_100015525214_100020603323 [0,2,0,0,0,0|1,0,0]=3 10391 B11R0.4 CCCSCCNC(=O)NCC 2708a_100020603323_100015525214 [0,2,0,0,0,0|1,0,0]=3 10392 B11R0.4 CCCSCCNC(=O)NCC 273464a_100015525214_100020603323 [0,2,0,0,0,0|1,0,0]=3 10393 B11R0.4 CCCSCCNC(=O)NCC 273464a_100020603323_100015525214 [0,2,0,0,0,0|1,0,0]=3 10394 B11R0.4 CCCSCCNC(=O)NCC 512a_100015525214_100020603323 [0,2,0,0,0,0|1,0,0]=3 10395 B11R0.4 CCCSCCNC(=O)NCC 512a_100020603323_100015525214 [0,2,0,0,0,0|1,0,0]=3 10396 B11R0.4 CCCSCCNC(=O)NNC 273464a_100020603323_100016993582 [0,2,0,0,0,0|2,0,0]=4 10397 B11R0.4 CCCSCCNC(=O)NNC 512a_100016993582_100020603323 [0,2,0,0,0,0|2,0,0]=4 10398 B11R0.4 CCCSCCNC(=O)NNC 512a_100020603323_100016993582 [0,2,0,0,0,0|2,0,0]=4 10399 B11R0.4 CCCSCCNC(=O)OCC 62a_100000210303_200011445536 [0,2,0,0,0,0|1,0,0]=3 10400 B11R0.4 CCNC(=O)CCCCCCO 240690a_100015525214_100011996774 [0,2,0,0,0,0|0,0,0]=2 10401 B11R0.4 CCNC(=O)CCCCCOC 11a_100015525214_100011935119 [0,2,0,0,0,0|0,0,0]=2 10402 B11R0.4 CCNC(=O)CCCCCOC 240690a_100015525214_100011935119 [0,2,0,0,0,0|0,0,0]=2 10403 B11R0.4 CCNC(=O)CCCCCOC 527a_100015525214_100011935119 [0,2,0,0,0,0|0,0,0]=2 10404 B11R0.4 CCNC(=O)CCCCN=[N+]=[N-] 11a_100015525214_100000070148 [0,2,0,0,0,0|2,0,0]=4 10405 B11R0.4 CCNC(=O)CCCCN=[N+]=[N-] 240690a_100015525214_100000070148 [0,2,0,0,0,0|2,0,0]=4 10406 B11R0.4 CCNC(=O)CCCCN=[N+]=[N-] 527a_100015525214_100000070148 [0,2,0,0,0,0|2,0,0]=4 10407 B11R0.4 CCNC(=O)CCNCCCF 2230a_100015189416_100000737597 [0,2,0,0,0,0|1,0,0]=3 10408 B11R0.4 CCNC(=O)CCNCCCF 34a_100025743525_100011934791 [0,2,0,0,0,0|1,0,0]=3 10409 B11R0.4 CCNC(=O)CCNCCCO 34a_100025743525_100000230001 [0,2,0,0,0,0|1,0,0]=3 10410 B11R0.4 CCNC(=O)CCNCCOC 2230a_100000209980_100000737597 [0,2,0,0,0,0|1,0,0]=3 10411 B11R0.4 CCNC(=O)CCNCCOC 34a_100025743525_100011201679 [0,2,0,0,0,0|1,0,0]=3 10412 B11R0.4 CCNC(=O)CCNCCSC 2230a_100020590264_100000737597 [0,2,0,0,0,0|1,0,0]=3 10413 B11R0.4 CCNC(=O)CCNCCSC 34a_100025743525_100000212216 [0,2,0,0,0,0|1,0,0]=3 10414 B11R0.4 CCNC(=O)CCOCCOC 11a_100015525214_100000745395 [0,2,0,0,0,0|1,0,0]=3 10415 B11R0.4 CCNC(=O)CCOCCOC 240690a_100015525214_100000745395 [0,2,0,0,0,0|1,0,0]=3 10416 B11R0.4 CCNC(=O)CCOCCOC 527a_100015525214_100000745395 [0,2,0,0,0,0|1,0,0]=3 10417 B11R0.4 CCNC(=O)CCOCCSC 7a_100000230434_100000737597 [0,2,0,0,0,0|1,0,0]=3 10418 B11R0.4 CCNC(=O)CCSCCC#N 62a_100000737597_100011215226 [0,2,0,0,0,0|1,0,1]=4 10419 B11R0.4 CCNC(=O)CCSCCC#N 62a_100011215226_100000737597 [0,2,0,0,0,0|1,0,1]=4 10420 B11R0.4 CCNC(=O)CCSCCCF 62a_100000737597_100011934791 [0,2,0,0,0,0|1,0,0]=3 10421 B11R0.4 CCNC(=O)CCSCCCF 62a_100011934791_100000737597 [0,2,0,0,0,0|1,0,0]=3 10422 B11R0.4 CCNC(=O)CCSCCCO 62a_100000737597_100011215043 [0,2,0,0,0,0|1,0,0]=3 10423 B11R0.4 CCNC(=O)CCSCCCO 62a_100011215043_100000737597 [0,2,0,0,0,0|1,0,0]=3 10424 B11R0.4 CCNC(=O)CCSCCOC 62a_100000233755_100000737597 [0,2,0,0,0,0|1,0,0]=3 10425 B11R0.4 CCNC(=O)CCSCCOC 62a_100000737597_100000233755 [0,2,0,0,0,0|1,0,0]=3 10426 B11R0.4 CCNC(=O)CCSCCSC 62a_100000212216_100000737597 [0,2,0,0,0,0|1,0,0]=3 10427 B11R0.4 CCNC(=O)CCSCCSC 62a_100000737597_100000751147 [0,2,0,0,0,0|1,0,0]=3 10428 B11R0.4 CCNC(=O)CCSCOCC 62a_100000737597_100000739092 [0,2,0,0,0,0|1,0,0]=3 10429 B11R0.4 CCNC(=O)CCSCOCC 62a_100000739092_100000737597 [0,2,0,0,0,0|1,0,0]=3 10430 B11R0.4 CCNC(=O)CNCCCC#N 2230a_100016988866_100000687738 [0,2,0,0,0,0|1,0,1]=4 10431 B11R0.4 CCNC(=O)CNCCCC=O 2230a_100016988866_200011292268 [0,2,0,0,0,0|1,0,1]=4 10432 B11R0.4 CCNC(=O)CNCCCCF 2230a_100016988866_100000729493 [0,2,0,0,0,0|1,0,0]=3 10433 B11R0.4 CCNC(=O)CNCCCCO 2230a_100000750430_100000183381 [0,2,0,0,0,0|1,0,0]=3 10434 B11R0.4 CCNC(=O)CNCCCCO 2230a_100016988866_100000210776 [0,2,0,0,0,0|1,0,0]=3 10435 B11R0.4 CCNC(=O)CNCCCCO 34a_100000750430_100000183381 [0,2,0,0,0,0|1,0,0]=3 10436 B11R0.4 CCNC(=O)CNCCCOC 2230a_100016988866_100000740836 [0,2,0,0,0,0|1,0,0]=3 10437 B11R0.4 CCNC(=O)CNCCCOC 34a_100150723488_100000183381 [0,2,0,0,0,0|1,0,0]=3 10438 B11R0.4 CCNC(=O)CNCCCSC 2230a_100000749238_100000183381 [0,2,0,0,0,0|1,0,0]=3 10439 B11R0.4 CCNC(=O)CNCCOCC 2230a_100016988866_100011215890 [0,2,0,0,0,0|1,0,0]=3 10440 B11R0.4 CCNC(=O)CNCCOCC 2230a_102516460346_100000183381 [0,2,0,0,0,0|1,0,0]=3 10441 B11R0.4 CCNC(=O)CNCCOCC 34a_102516460346_100000183381 [0,2,0,0,0,0|1,0,0]=3 10442 B11R0.4 CCNC(=O)CNCCSCC 2230a_100000106463_100000183381 [0,2,0,0,0,0|1,0,0]=3 10443 B11R0.4 CCNC(=O)CNCCSCC 2230a_100016988866_100000757381 [0,2,0,0,0,0|1,0,0]=3 10444 B11R0.4 CCNC(=O)COCCCCBr 34a_100011216708_100000183381 [0,2,0,0,0,0|1,0,0]=3 10445 B11R0.4 CCNC(=O)COCCCCCl 34a_100000210776_100000183381 [0,2,0,0,0,0|1,0,0]=3 10446 B11R0.4 CCNC(=O)COCCCCCl 7a_100000210776_100000183381 [0,2,0,0,0,0|1,0,0]=3 10447 B11R0.4 CCNC(=O)COCCCCF 34a_100011995726_100000183381 [0,2,0,0,0,0|1,0,0]=3 10448 B11R0.4 CCNC(=O)COCCCCF 7a_100011995726_100000183381 [0,2,0,0,0,0|1,0,0]=3 10449 B11R0.4 CCNC(=O)COCCCCI 34a_200012148704_100000183381 [0,2,0,0,0,0|1,0,0]=3 10450 B11R0.4 CCNC(=O)COCCCCN 34a_100000750430_100000183381 [0,2,0,0,0,0|1,0,0]=3 10451 B11R0.4 CCNC(=O)COCCCNC 34a_100000213112_100000183381 [0,2,0,0,0,0|1,0,0]=3 10452 B11R0.4 CCNC(=O)COCCCOC 34a_100000740835_100000183381 [0,2,0,0,0,0|1,0,0]=3 10453 B11R0.4 CCNC(=O)COCCCSC 34a_100000690336_100000183381 [0,2,0,0,0,0|1,0,0]=3 10454 B11R0.4 CCNC(=O)COCCCSC 7a_100000690336_100000183381 [0,2,0,0,0,0|1,0,0]=3 10455 B11R0.4 CCNC(=O)COCCOCC 34a_100000210136_100000183381 [0,2,0,0,0,0|1,0,0]=3 10456 B11R0.4 CCNC(=O)COCCOCC 7a_100000210136_100000183381 [0,2,0,0,0,0|1,0,0]=3 10457 B11R0.4 CCNC(=O)COCCSCC 34a_100000212035_100000183381 [0,2,0,0,0,0|1,0,0]=3 10458 B11R0.4 CCNC(=O)COCCSCC 7a_100000212035_100000183381 [0,2,0,0,0,0|1,0,0]=3 10459 B11R0.4 CCNC(=O)CSCCCC#N 62a_100000183381_100000687738 [0,2,0,0,0,0|1,0,1]=4 10460 B11R0.4 CCNC(=O)CSCCCC#N 62a_100000687738_100000183381 [0,2,0,0,0,0|1,0,1]=4 10461 B11R0.4 CCNC(=O)CSCCCC=O 62a_100000183381_200011292268 [0,2,0,0,0,0|1,0,1]=4 10462 B11R0.4 CCNC(=O)CSCCCC=O 62a_200011292268_100000183381 [0,2,0,0,0,0|1,0,1]=4 10463 B11R0.4 CCNC(=O)CSCCCCF 62a_100000183381_100000729493 [0,2,0,0,0,0|1,0,0]=3 10464 B11R0.4 CCNC(=O)CSCCCCF 62a_100000729493_100000183381 [0,2,0,0,0,0|1,0,0]=3 10465 B11R0.4 CCNC(=O)CSCCCCO 62a_100000183381_100000210776 [0,2,0,0,0,0|1,0,0]=3 10466 B11R0.4 CCNC(=O)CSCCCCO 62a_100000210776_100000183381 [0,2,0,0,0,0|1,0,0]=3 10467 B11R0.4 CCNC(=O)CSCCCOC 62a_100000183381_100000709357 [0,2,0,0,0,0|1,0,0]=3 10468 B11R0.4 CCNC(=O)CSCCCOC 62a_100000709357_100000183381 [0,2,0,0,0,0|1,0,0]=3 10469 B11R0.4 CCNC(=O)CSCCOCC 62a_100000183381_100011215890 [0,2,0,0,0,0|1,0,0]=3 10470 B11R0.4 CCNC(=O)CSCCOCC 62a_100000210147_100000183381 [0,2,0,0,0,0|1,0,0]=3 10471 B11R0.4 CCNC(=O)CSCCSCC 62a_100000183381_100000757381 [0,2,0,0,0,0|1,0,0]=3 10472 B11R0.4 CCNC(=O)CSCCSCC 62a_100000757381_100000183381 [0,2,0,0,0,0|1,0,0]=3 10473 B11R0.4 CCNC(=O)NCCCCC#N 2708a_100000751965_100015525214 [0,2,0,0,0,0|1,0,1]=4 10474 B11R0.4 CCNC(=O)NCCCCC#N 2708a_100015525214_100000751965 [0,2,0,0,0,0|1,0,1]=4 10475 B11R0.4 CCNC(=O)NCCCCC#N 273464a_100000751965_100015525214 [0,2,0,0,0,0|1,0,1]=4 10476 B11R0.4 CCNC(=O)NCCCCC#N 273464a_100015525214_100000751965 [0,2,0,0,0,0|1,0,1]=4 10477 B11R0.4 CCNC(=O)NCCCCC#N 512a_100000751965_100015525214 [0,2,0,0,0,0|1,0,1]=4 10478 B11R0.4 CCNC(=O)NCCCCC#N 512a_100015525214_100000751965 [0,2,0,0,0,0|1,0,1]=4 10479 B11R0.4 CCNC(=O)NCCCCCO 2708a_100015525214_100000762737 [0,2,0,0,0,0|1,0,0]=3 10480 B11R0.4 CCNC(=O)NCCCCCO 273464a_100000762737_100015525214 [0,2,0,0,0,0|1,0,0]=3 10481 B11R0.4 CCNC(=O)NCCCCCO 273464a_100015525214_100000762737 [0,2,0,0,0,0|1,0,0]=3 10482 B11R0.4 CCNC(=O)NCCCCCO 512a_100000762737_100015525214 [0,2,0,0,0,0|1,0,0]=3 10483 B11R0.4 CCNC(=O)NCCCCCO 512a_100015525214_100000762737 [0,2,0,0,0,0|1,0,0]=3 10484 B11R0.4 CCNC(=O)NCCCOCC 2708a_100000210961_100015525214 [0,2,0,0,0,0|1,0,0]=3 10485 B11R0.4 CCNC(=O)NCCCOCC 2708a_100015525214_100000210961 [0,2,0,0,0,0|1,0,0]=3 10486 B11R0.4 CCNC(=O)NCCCOCC 273464a_100000210961_100015525214 [0,2,0,0,0,0|1,0,0]=3 10487 B11R0.4 CCNC(=O)NCCCOCC 273464a_100015525214_100000210961 [0,2,0,0,0,0|1,0,0]=3 10488 B11R0.4 CCNC(=O)NCCCOCC 512a_100000210961_100015525214 [0,2,0,0,0,0|1,0,0]=3 10489 B11R0.4 CCNC(=O)NCCCOCC 512a_100015525214_100000210961 [0,2,0,0,0,0|1,0,0]=3 10490 B11R0.4 CCNC(=O)NCCOCCO 2708a_100015525214_100000211614 [0,2,0,0,0,0|2,0,0]=4 10491 B11R0.4 CCNC(=O)NCCOCCO 273464a_100000211614_100015525214 [0,2,0,0,0,0|2,0,0]=4 10492 B11R0.4 CCNC(=O)NCCOCCO 273464a_100015525214_100000211614 [0,2,0,0,0,0|2,0,0]=4 10493 B11R0.4 CCNC(=O)NCCOCCO 512a_100000211614_100015525214 [0,2,0,0,0,0|2,0,0]=4 10494 B11R0.4 CCNC(=O)NCCSCCO 2708a_100015525214_100011219999 [0,2,0,0,0,0|2,0,0]=4 10495 B11R0.4 CCNC(=O)NCCSCCO 273464a_100011219999_100015525214 [0,2,0,0,0,0|2,0,0]=4 10496 B11R0.4 CCNC(=O)NCCSCCO 273464a_100015525214_100011219999 [0,2,0,0,0,0|2,0,0]=4 10497 B11R0.4 CCNC(=O)NCCSCCO 512a_100011219999_100015525214 [0,2,0,0,0,0|2,0,0]=4 10498 B11R0.4 CCNC(=O)NCCSCCO 512a_100015525214_100011219999 [0,2,0,0,0,0|2,0,0]=4 10499 B11R0.4 CCNC(=O)NNCCCOC 273464a_100015525214_100025702787 [0,2,0,0,0,0|2,0,0]=4 10500 B11R0.4 CCNC(=O)NNCCCOC 512a_100015525214_100025702787 [0,2,0,0,0,0|2,0,0]=4 10501 B11R0.4 CCNC(=O)NNCCOCC 273464a_100015525214_100000732670 [0,2,0,0,0,0|2,0,0]=4 10502 B11R0.4 CCNC(=O)NNCCOCC 512a_100000732670_100015525214 [0,2,0,0,0,0|2,0,0]=4 10503 B11R0.4 CCNC(=O)NNCCOCC 512a_100015525214_100000732670 [0,2,0,0,0,0|2,0,0]=4 10504 B11R0.4 CCNCCCCC(=O)OCC 2230a_100015525214_100000750268 [0,2,0,0,0,0|0,0,0]=2 10505 B11R0.4 CCNCCOCC(=O)OCC 2230a_100015525214_100000088970 [0,2,0,0,0,0|1,0,0]=3 10506 B11R0.4 CCOC(=O)CCCCCNC 2230a_106832991635_100000755133 [0,2,0,0,0,0|0,0,0]=2 10507 B11R0.4 CCOC(=O)CCCCCNC 34a_100102657272_100000755133 [0,2,0,0,0,0|0,0,0]=2 10508 B11R0.4 CCOC(=O)CCCCCNC 7a_106832991635_100000755133 [0,2,0,0,0,0|0,0,0]=2 10509 B11R0.4 CCOC(=O)CCCCCOC 34a_100138415774_100000755133 [0,2,0,0,0,0|0,0,0]=2 10510 B11R0.4 CCOC(=O)CCCCCOC 7a_100011214988_200000210301 [0,2,0,0,0,0|0,0,0]=2 10511 B11R0.4 CCOC(=O)CCCCCO[13CH3] 7a_100011214988_200025704644 [0,2,0,0,0,0|0,0,0]=2 10512 B11R0.4 CCOC(=O)CCCCCSC 62a_100000755133_200000210301 [0,2,0,0,0,0|0,0,0]=2 10513 B11R0.4 CCOC(=O)CCCCCSC 62a_200000210301_100000755133 [0,2,0,0,0,0|0,0,0]=2 10514 B11R0.4 CCOC(=O)CCCCCS[13CH3] 62a_100000755133_200025704644 [0,2,0,0,0,0|0,0,0]=2 10515 B11R0.4 CCOC(=O)CCCCCS[13CH3] 62a_200025704644_100000755133 [0,2,0,0,0,0|0,0,0]=2 10516 B11R0.4 CCOC(=O)CCCCSCC 62a_100000210202_100000750268 [0,2,0,0,0,0|0,0,0]=2 10517 B11R0.4 CCOC(=O)CCCCSCC 62a_100000750268_100000210202 [0,2,0,0,0,0|0,0,0]=2 10518 B11R0.4 CCOC(=O)CCCCSCF 62a_100000750268_100015361967 [0,2,0,0,0,0|1,0,0]=3 10519 B11R0.4 CCOC(=O)CCCCSCF 62a_100015361967_100000750268 [0,2,0,0,0,0|1,0,0]=3 10520 B11R0.4 CCOC(=O)CCCNCCF 34a_100000724931_100009991533 [0,2,0,0,0,0|1,0,0]=3 10521 B11R0.4 CCOC(=O)CCCNCCO 2230a_100016997473_100009991533 [0,2,0,0,0,0|1,0,0]=3 10522 B11R0.4 CCOC(=O)CCCNCCO 34a_100016990907_100009991533 [0,2,0,0,0,0|1,0,0]=3 10523 B11R0.4 CCOC(=O)CCCOCC#N 7a_100012001163_100011215382 [0,2,0,0,0,0|1,0,1]=4 10524 B11R0.4 CCOC(=O)CCCOCC=O 7a_100012001163_200015260668 [0,2,0,0,0,0|1,0,1]=4 10525 B11R0.4 CCOC(=O)CCCOCCBr 34a_100000211926_100009991533 [0,2,0,0,0,0|1,0,0]=3 10526 B11R0.4 CCOC(=O)CCCOCCF 7a_100012001163_100011217306 [0,2,0,0,0,0|1,0,0]=3 10527 B11R0.4 CCOC(=O)CCCOCCN 34a_100000210304_100009991533 [0,2,0,0,0,0|1,0,0]=3 10528 B11R0.4 CCOC(=O)CCCOCCO 7a_100012001163_100000211926 [0,2,0,0,0,0|1,0,0]=3 10529 B11R0.4 CCOC(=O)CCCSCC#N 62a_100009991533_100011215382 [0,2,0,0,0,0|1,0,1]=4 10530 B11R0.4 CCOC(=O)CCCSCC#N 62a_100011215382_100009991533 [0,2,0,0,0,0|1,0,1]=4 10531 B11R0.4 CCOC(=O)CCCSCC=O 62a_100009991533_200015260668 [0,2,0,0,0,0|1,0,1]=4 10532 B11R0.4 CCOC(=O)CCCSCC=O 62a_200015260668_100009991533 [0,2,0,0,0,0|1,0,1]=4 10533 B11R0.4 CCOC(=O)CCCSCCF 62a_100009991533_100011217306 [0,2,0,0,0,0|1,0,0]=3 10534 B11R0.4 CCOC(=O)CCCSCCF 62a_100011217306_100009991533 [0,2,0,0,0,0|1,0,0]=3 10535 B11R0.4 CCOC(=O)CCCSCCO 62a_100000211926_100009991533 [0,2,0,0,0,0|1,0,0]=3 10536 B11R0.4 CCOC(=O)CCCSCCO 62a_100009991533_100000211926 [0,2,0,0,0,0|1,0,0]=3 10537 B11R0.4 CCOC(=O)CCCSCOC 62a_100000766300_100009991533 [0,2,0,0,0,0|1,0,0]=3 10538 B11R0.4 CCOC(=O)CCCSCOC 62a_100009991533_100000766300 [0,2,0,0,0,0|1,0,0]=3 10539 B11R0.4 CCOC(=O)CCCSCSC 62a_100009991533_100011218213 [0,2,0,0,0,0|1,0,0]=3 10540 B11R0.4 CCOC(=O)CCCSCSC 62a_100011218213_100009991533 [0,2,0,0,0,0|1,0,0]=3 10541 B11R0.4 CCOC(=O)CCNCCCF 2230a_100015189416_100011206558 [0,2,0,0,0,0|1,0,0]=3 10542 B11R0.4 CCOC(=O)CCNCCCF 34a_100015189416_100000765890 [0,2,0,0,0,0|1,0,0]=3 10543 B11R0.4 CCOC(=O)CCNCCOC 2230a_100000209980_100011206558 [0,2,0,0,0,0|1,0,0]=3 10544 B11R0.4 CCOC(=O)CCNCCSC 2230a_100020590264_100011206558 [0,2,0,0,0,0|1,0,0]=3 10545 B11R0.4 CCOC(=O)CCOCCCBr 34a_100011217188_100000765890 [0,2,0,0,0,0|1,0,0]=3 10546 B11R0.4 CCOC(=O)CCOCCCCl 34a_100000230001_100000765890 [0,2,0,0,0,0|1,0,0]=3 10547 B11R0.4 CCOC(=O)CCOCCCF 34a_100000759539_100000765890 [0,2,0,0,0,0|1,0,0]=3 10548 B11R0.4 CCOC(=O)CCOCCCN 34a_100000182051_100000765890 [0,2,0,0,0,0|1,0,0]=3 10549 B11R0.4 CCOC(=O)CCOCCOC 34a_100000210237_100000765890 [0,2,0,0,0,0|1,0,0]=3 10550 B11R0.4 CCOC(=O)CCOCCON 34a_100000700252_100000765890 [0,2,0,0,0,0|2,0,0]=4 10551 B11R0.4 CCOC(=O)CCOCCSC 34a_100000230434_100000765890 [0,2,0,0,0,0|1,0,0]=3 10552 B11R0.4 CCOC(=O)CCOCCSC 7a_100000230434_100011206558 [0,2,0,0,0,0|1,0,0]=3 10553 B11R0.4 CCOC(=O)CCSCCC#N 62a_100000765890_100011215226 [0,2,0,0,0,0|1,0,1]=4 10554 B11R0.4 CCOC(=O)CCSCCC#N 62a_100011215226_100000765890 [0,2,0,0,0,0|1,0,1]=4 10555 B11R0.4 CCOC(=O)CCSCCCF 62a_100000765890_100011934791 [0,2,0,0,0,0|1,0,0]=3 10556 B11R0.4 CCOC(=O)CCSCCCF 62a_100011934791_100000765890 [0,2,0,0,0,0|1,0,0]=3 10557 B11R0.4 CCOC(=O)CCSCCCO 62a_100000765890_100011215043 [0,2,0,0,0,0|1,0,0]=3 10558 B11R0.4 CCOC(=O)CCSCCCO 62a_100011215043_100000765890 [0,2,0,0,0,0|1,0,0]=3 10559 B11R0.4 CCOC(=O)CCSCCOC 62a_100000233755_100000765890 [0,2,0,0,0,0|1,0,0]=3 10560 B11R0.4 CCOC(=O)CCSCCOC 62a_100000765890_100000233755 [0,2,0,0,0,0|1,0,0]=3 10561 B11R0.4 CCOC(=O)CCSCCSC 62a_100000212216_100000765890 [0,2,0,0,0,0|1,0,0]=3 10562 B11R0.4 CCOC(=O)CCSCCSC 62a_100000765890_100000751147 [0,2,0,0,0,0|1,0,0]=3 10563 B11R0.4 CCOC(=O)CNCCCCO 2230a_100000750430_100000188475 [0,2,0,0,0,0|1,0,0]=3 10564 B11R0.4 CCOC(=O)CNCCCCO 34a_100000750430_100000188475 [0,2,0,0,0,0|1,0,0]=3 10565 B11R0.4 CCOC(=O)CNCCCOC 34a_100150723488_100000188475 [0,2,0,0,0,0|1,0,0]=3 10566 B11R0.4 CCOC(=O)CNCCCSC 2230a_100000749238_100000188475 [0,2,0,0,0,0|1,0,0]=3 10567 B11R0.4 CCOC(=O)CNCCSCC 2230a_100000106463_100000188475 [0,2,0,0,0,0|1,0,0]=3 10568 B11R0.4 CCOC(=O)COCCCCBr 34a_100011216708_100000188475 [0,2,0,0,0,0|1,0,0]=3 10569 B11R0.4 CCOC(=O)COCCCCCl 34a_100000210776_100000188475 [0,2,0,0,0,0|1,0,0]=3 10570 B11R0.4 CCOC(=O)COCCCCCl 7a_100000210776_100000188475 [0,2,0,0,0,0|1,0,0]=3 10571 B11R0.4 CCOC(=O)COCCCCF 34a_100011995726_100000188475 [0,2,0,0,0,0|1,0,0]=3 10572 B11R0.4 CCOC(=O)COCCCCF 7a_100011995726_100000188475 [0,2,0,0,0,0|1,0,0]=3 10573 B11R0.4 CCOC(=O)COCCCCI 34a_200012148704_100000188475 [0,2,0,0,0,0|1,0,0]=3 10574 B11R0.4 CCOC(=O)COCCCCN 34a_100000750430_100000188475 [0,2,0,0,0,0|1,0,0]=3 10575 B11R0.4 CCOC(=O)COCCCNC 2230a_106832991635_100009893628 [0,2,0,0,0,0|1,0,0]=3 10576 B11R0.4 CCOC(=O)COCCCNC 34a_100000213112_100000188475 [0,2,0,0,0,0|1,0,0]=3 10577 B11R0.4 CCOC(=O)COCCCNC 34a_100102657272_100009893628 [0,2,0,0,0,0|1,0,0]=3 10578 B11R0.4 CCOC(=O)COCCCNC 7a_106832991635_100009893628 [0,2,0,0,0,0|1,0,0]=3 10579 B11R0.4 CCOC(=O)COCCCOC 34a_100000740835_100000188475 [0,2,0,0,0,0|1,0,0]=3 10580 B11R0.4 CCOC(=O)COCCCOC 34a_100138415774_100009893628 [0,2,0,0,0,0|1,0,0]=3 10581 B11R0.4 CCOC(=O)COCCCSC 34a_100000690336_100000188475 [0,2,0,0,0,0|1,0,0]=3 10582 B11R0.4 CCOC(=O)COCCCSC 62a_100009893628_200000210301 [0,2,0,0,0,0|1,0,0]=3 10583 B11R0.4 CCOC(=O)COCCCSC 62a_200000210301_100009893628 [0,2,0,0,0,0|1,0,0]=3 10584 B11R0.4 CCOC(=O)COCCCSC 7a_100000690336_100000188475 [0,2,0,0,0,0|1,0,0]=3 10585 B11R0.4 CCOC(=O)COCCCS[13CH3] 62a_100009893628_200025704644 [0,2,0,0,0,0|1,0,0]=3 10586 B11R0.4 CCOC(=O)COCCCS[13CH3] 62a_200025704644_100009893628 [0,2,0,0,0,0|1,0,0]=3 10587 B11R0.4 CCOC(=O)COCCSCC 34a_100000212035_100000188475 [0,2,0,0,0,0|1,0,0]=3 10588 B11R0.4 CCOC(=O)COCCSCC 62a_100000088970_100000210202 [0,2,0,0,0,0|1,0,0]=3 10589 B11R0.4 CCOC(=O)COCCSCC 62a_100000210202_100000088970 [0,2,0,0,0,0|1,0,0]=3 10590 B11R0.4 CCOC(=O)COCCSCC 7a_100000212035_100000188475 [0,2,0,0,0,0|1,0,0]=3 10591 B11R0.4 CCOC(=O)COCCSCF 62a_100000088970_100015361967 [0,2,0,0,0,0|2,0,0]=4 10592 B11R0.4 CCOC(=O)COCCSCF 62a_100015361967_100000088970 [0,2,0,0,0,0|2,0,0]=4 10593 B11R0.4 CCOC(=O)CSCCCC#N 62a_100000188475_100000687738 [0,2,0,0,0,0|1,0,1]=4 10594 B11R0.4 CCOC(=O)CSCCCC#N 62a_100000687738_100000188475 [0,2,0,0,0,0|1,0,1]=4 10595 B11R0.4 CCOC(=O)CSCCCC=O 62a_100000188475_200011292268 [0,2,0,0,0,0|1,0,1]=4 10596 B11R0.4 CCOC(=O)CSCCCC=O 62a_200011292268_100000188475 [0,2,0,0,0,0|1,0,1]=4 10597 B11R0.4 CCOC(=O)CSCCCCF 62a_100000188475_100000729493 [0,2,0,0,0,0|1,0,0]=3 10598 B11R0.4 CCOC(=O)CSCCCCF 62a_100000729493_100000188475 [0,2,0,0,0,0|1,0,0]=3 10599 B11R0.4 CCOC(=O)CSCCCCO 62a_100000188475_100000210776 [0,2,0,0,0,0|1,0,0]=3 10600 B11R0.4 CCOC(=O)CSCCCCO 62a_100000210776_100000188475 [0,2,0,0,0,0|1,0,0]=3 10601 B11R0.4 CCOC(=O)CSCCCOC 62a_100000188475_100000709357 [0,2,0,0,0,0|1,0,0]=3 10602 B11R0.4 CCOC(=O)CSCCCOC 62a_100000709357_100000188475 [0,2,0,0,0,0|1,0,0]=3 10603 B11R0.4 CCOC(=O)CSCCOCF 7a_200000230590_100015361967 [0,2,0,0,0,0|2,0,0]=4 10604 B11R0.4 CCOC(=O)CSCCSCC 62a_100000188475_100000757381 [0,2,0,0,0,0|1,0,0]=3 10605 B11R0.4 CCOC(=O)CSCCSCC 62a_100000757381_100000188475 [0,2,0,0,0,0|1,0,0]=3 10606 B11R0.4 CCOC(=O)NCCOCCF 34a_100000158857_100011217306 [0,2,0,0,0,0|2,0,0]=4 10607 B11R0.4 CCOC(=O)NCCOCCO 34a_100000158857_100000211926 [0,2,0,0,0,0|2,0,0]=4 10608 B11R0.4 CCOC(=O)NCCOCSC 34a_100000158857_100011218213 [0,2,0,0,0,0|2,0,0]=4 10609 B11R0.4 CCOC(=O)NCCSCCF 62a_100011217306_200011445536 [0,2,0,0,0,0|2,0,0]=4 10610 B11R0.4 CCOC(=O)NCCSCCO 62a_100000211926_200011445536 [0,2,0,0,0,0|2,0,0]=4 10611 B11R0.4 CCOC(=O)NCCSCOC 62a_100000766300_200011445536 [0,2,0,0,0,0|2,0,0]=4 10612 B11R0.4 CCOC(=O)NCCSCSC 62a_100011218213_200011445536 [0,2,0,0,0,0|2,0,0]=4 10613 B11R0.4 CCOC(=O)OCSCCCF 62a_100011934791_100000075025 [0,2,0,0,0,0|2,0,0]=4 10614 B11R0.4 CCOC(=O)OCSCCCO 62a_100011215043_100000075025 [0,2,0,0,0,0|2,0,0]=4 10615 B11R0.4 CCOC(=O)OCSCCOC 62a_100000233755_100000075025 [0,2,0,0,0,0|2,0,0]=4 10616 B11R0.4 CCOC(=O)OCSCCSC 62a_100000212216_100000075025 [0,2,0,0,0,0|2,0,0]=4 10617 B11R0.4 CCOCCCCC(=O)OCC 34a_100121572206_100000750268 [0,2,0,0,0,0|0,0,0]=2 10618 B11R0.4 CCOCCCNC(=O)CC#N 1626a_100000210961_100051588842 [0,2,0,0,0,0|1,0,1]=4 10619 B11R0.4 CCOCCCNC(=O)CC#N 240690a_100000210961_100051588842 [0,2,0,0,0,0|1,0,1]=4 10620 B11R0.4 CCOCCCNC(=O)CCO 240690a_100000210961_100011216618 [0,2,0,0,0,0|1,0,0]=3 10621 B11R0.4 CCOCCCNC(=O)COC 11a_100000210961_100000210968 [0,2,0,0,0,0|1,0,0]=3 10622 B11R0.4 CCOCCCNC(=O)COC 1626a_100000210961_100000210968 [0,2,0,0,0,0|1,0,0]=3 10623 B11R0.4 CCOCCCNC(=O)COC 240690a_100000210961_100000210968 [0,2,0,0,0,0|1,0,0]=3 10624 B11R0.4 CCOCCCNC(=O)COC 527a_100000210961_100000210968 [0,2,0,0,0,0|1,0,0]=3 10625 B11R0.4 CCOCCCNC(=O)CSC 11a_100000210961_100000184570 [0,2,0,0,0,0|1,0,0]=3 10626 B11R0.4 CCOCCCNC(=O)CSC 1626a_100000210961_100000184570 [0,2,0,0,0,0|1,0,0]=3 10627 B11R0.4 CCOCCCNC(=O)CSC 240690a_100000210961_100000184570 [0,2,0,0,0,0|1,0,0]=3 10628 B11R0.4 CCOCCCNC(=O)CSC 527a_100000210961_100000184570 [0,2,0,0,0,0|1,0,0]=3 10629 B11R0.4 CCOCCCNC(=O)NNC 273464a_100000210961_100016993582 [0,2,0,0,0,0|2,0,0]=4 10630 B11R0.4 CCOCCCNC(=O)NNC 512a_100000210961_100016993582 [0,2,0,0,0,0|2,0,0]=4 10631 B11R0.4 CCOCCCNC(=O)NNC 512a_100016993582_100000210961 [0,2,0,0,0,0|2,0,0]=4 10632 B11R0.4 CCOCCNCC(=O)NCO 2230a_102516460346_100000185155 [0,2,0,0,0,0|2,0,0]=4 10633 B11R0.4 CCOCCNCC(=O)NCO 34a_102516460346_100000185155 [0,2,0,0,0,0|2,0,0]=4 10634 B11R0.4 CCOCCNCC(=O)OCC 2230a_102516460346_100000188475 [0,2,0,0,0,0|1,0,0]=3 10635 B11R0.4 CCOCCNCC(=O)OCC 34a_102516460346_100000188475 [0,2,0,0,0,0|1,0,0]=3 10636 B11R0.4 CCOCCNNC(=O)CCO 22a_100000732670_100011216618 [0,2,0,0,0,0|2,0,0]=4 10637 B11R0.4 CCOCCNNC(=O)COC 22a_100000732670_100000210968 [0,2,0,0,0,0|2,0,0]=4 10638 B11R0.4 CCOCCNNC(=O)CSC 22a_100000732670_100000184570 [0,2,0,0,0,0|2,0,0]=4 10639 B11R0.4 CCOCCOCC(=O)NCO 34a_100000210136_100000185155 [0,2,0,0,0,0|2,0,0]=4 10640 B11R0.4 CCOCCOCC(=O)NCO 7a_100000210136_100000185155 [0,2,0,0,0,0|2,0,0]=4 10641 B11R0.4 CCOCCOCC(=O)OCC 34a_100000210136_100000188475 [0,2,0,0,0,0|1,0,0]=3 10642 B11R0.4 CCOCCOCC(=O)OCC 34a_100121572206_100000088970 [0,2,0,0,0,0|1,0,0]=3 10643 B11R0.4 CCOCCOCC(=O)OCC 7a_100000210136_100000188475 [0,2,0,0,0,0|1,0,0]=3 10644 B11R0.4 CCOCCSCC(=O)NCO 62a_100000185155_100011215890 [0,2,0,0,0,0|2,0,0]=4 10645 B11R0.4 CCOCCSCC(=O)NCO 62a_100000210147_100000185155 [0,2,0,0,0,0|2,0,0]=4 10646 B11R0.4 CCOCCSCC(=O)OCC 62a_100000188475_100011215890 [0,2,0,0,0,0|1,0,0]=3 10647 B11R0.4 CCOCCSCC(=O)OCC 62a_100000210147_100000188475 [0,2,0,0,0,0|1,0,0]=3 10648 B11R0.4 CCOCCSCC(=O)OCC 7a_200000230590_100000210202 [0,2,0,0,0,0|1,0,0]=3 10649 B11R0.4 CCOCSCCC(=O)OCC 62a_100000739092_100000765890 [0,2,0,0,0,0|1,0,0]=3 10650 B11R0.4 CCOCSCCC(=O)OCC 62a_100000765890_100000739092 [0,2,0,0,0,0|1,0,0]=3 10651 B11R0.4 CCOCSCOC(=O)OCC 62a_100000739092_100000075025 [0,2,0,0,0,0|2,0,0]=4 10652 B11R0.4 CCSCCNCC(=O)NCO 2230a_100000106463_100000185155 [0,2,0,0,0,0|2,0,0]=4 10653 B11R0.4 CCSCCOCC(=O)NCO 34a_100000212035_100000185155 [0,2,0,0,0,0|2,0,0]=4 10654 B11R0.4 CCSCCOCC(=O)NCO 7a_100000212035_100000185155 [0,2,0,0,0,0|2,0,0]=4 10655 B11R0.4 CCSCCSCC(=O)NCO 62a_100000185155_100000757381 [0,2,0,0,0,0|2,0,0]=4 10656 B11R0.4 CCSCCSCC(=O)NCO 62a_100000757381_100000185155 [0,2,0,0,0,0|2,0,0]=4 10657 B11R0.4 CN(CCO)CCCCCCF 2230a_100000210263_100015922095 [0,2,0,0,0,0|2,0,0]=4 10658 B11R0.4 CN(CCO)CCCCCCF 269982a_100000210263_100015922095 [0,2,0,0,0,0|2,0,0]=4 10659 B11R0.4 CN(CCO)CCCCCCO 2230a_100000210263_100000766143 [0,2,0,0,0,0|2,0,0]=4 10660 B11R0.4 CN(CCO)CCCCCCO 269982a_100000210263_100000766143 [0,2,0,0,0,0|2,0,0]=4 10661 B11R0.4 CNCCCOCC(=O)NCO 34a_100000213112_100000185155 [0,2,0,0,0,0|2,0,0]=4 10662 B11R0.4 CNNC(=O)CCCCCOC 22a_100016993582_100011935119 [0,2,0,0,0,0|1,0,0]=3 10663 B11R0.4 CNNC(=O)CCOCCOC 22a_100016993582_100000745395 [0,2,0,0,0,0|2,0,0]=4 10664 B11R0.4 CNNC(=O)NCCCCCO 273464a_100000762737_100016993582 [0,2,0,0,0,0|2,0,0]=4 10665 B11R0.4 CNNC(=O)NCCCCCO 512a_100000762737_100016993582 [0,2,0,0,0,0|2,0,0]=4 10666 B11R0.4 CNNC(=O)NCCCCCO 512a_100016993582_100000762737 [0,2,0,0,0,0|2,0,0]=4 10667 B11R0.4 COCC(=O)CCCCCC#N 1458a_100000210968_100009813376 [0,2,0,0,0,0|0,0,1]=3 10668 B11R0.4 COCC(=O)CCCCCCF 1458a_100000210968_100015922095 [0,2,0,0,0,0|0,0,0]=2 10669 B11R0.4 COCC(=O)CCCCCCO 1458a_100000210968_100000766143 [0,2,0,0,0,0|0,0,0]=2 10670 B11R0.4 COCC(=O)NCCCCC#N 11a_100000751965_100000210968 [0,2,0,0,0,0|1,0,1]=4 10671 B11R0.4 COCC(=O)NCCCCC#N 1626a_100000751965_100000210968 [0,2,0,0,0,0|1,0,1]=4 10672 B11R0.4 COCC(=O)NCCCCC#N 240690a_100000751965_100000210968 [0,2,0,0,0,0|1,0,1]=4 10673 B11R0.4 COCC(=O)NCCCCC#N 527a_100000751965_100000210968 [0,2,0,0,0,0|1,0,1]=4 10674 B11R0.4 COCC(=O)NCCCCCO 240690a_100000762737_100000210968 [0,2,0,0,0,0|1,0,0]=3 10675 B11R0.4 COCC(=O)NCCOCCO 240690a_100000211614_100000210968 [0,2,0,0,0,0|2,0,0]=4 10676 B11R0.4 COCC(=O)NCCSCCO 240690a_100011219999_100000210968 [0,2,0,0,0,0|2,0,0]=4 10677 B11R0.4 COCC(=O)NCCSCCO 527a_100011219999_100000210968 [0,2,0,0,0,0|2,0,0]=4 10678 B11R0.4 COCCCCCC(=O)CC#N 1458a_100011935119_100011214920 [0,2,0,0,0,0|0,0,1]=3 10679 B11R0.4 COCCCCCC(=O)CCF 1458a_100011935119_100011217306 [0,2,0,0,0,0|0,0,0]=2 10680 B11R0.4 COCCCCCC(=O)CCO 1458a_100011935119_100000211926 [0,2,0,0,0,0|0,0,0]=2 10681 B11R0.4 COCCCNCC(=O)NCO 34a_100150723488_100000185155 [0,2,0,0,0,0|2,0,0]=4 10682 B11R0.4 COCCCNNC(=O)CCO 22a_100025702787_100011216618 [0,2,0,0,0,0|2,0,0]=4 10683 B11R0.4 COCCCNNC(=O)COC 22a_100025702787_100000210968 [0,2,0,0,0,0|2,0,0]=4 10684 B11R0.4 COCCCNNC(=O)CSC 22a_100025702787_100000184570 [0,2,0,0,0,0|2,0,0]=4 10685 B11R0.4 COCCCOCC(=O)NCO 34a_100000740835_100000185155 [0,2,0,0,0,0|2,0,0]=4 10686 B11R0.4 COCCCSCC(=O)NCO 62a_100000185155_100000709357 [0,2,0,0,0,0|2,0,0]=4 10687 B11R0.4 COCCCSCC(=O)NCO 62a_100000709357_100000185155 [0,2,0,0,0,0|2,0,0]=4 10688 B11R0.4 COCCOCCC(=O)CC#N 1458a_100000745395_100011214920 [0,2,0,0,0,0|1,0,1]=4 10689 B11R0.4 COCCOCCC(=O)CC#N 1458a_100051588842_100000695917 [0,2,0,0,0,0|1,0,1]=4 10690 B11R0.4 COCCOCCC(=O)CCF 1458a_100000745395_100011217306 [0,2,0,0,0,0|1,0,0]=3 10691 B11R0.4 COCCOCCC(=O)CCO 1458a_100000745395_100000211926 [0,2,0,0,0,0|1,0,0]=3 10692 B11R0.4 COCCOCCC(=O)CCO 1458a_100011216618_100000695917 [0,2,0,0,0,0|1,0,0]=3 10693 B11R0.4 COCCOCCC(=O)COC 1458a_100000210968_100000695917 [0,2,0,0,0,0|1,0,0]=3 10694 B11R0.4 COCCOCCC(=O)CSC 1458a_100000184570_100000695917 [0,2,0,0,0,0|1,0,0]=3 10695 B11R0.4 CSCC(=O)CCCCCC#N 1458a_100000184570_100009813376 [0,2,0,0,0,0|0,0,1]=3 10696 B11R0.4 CSCC(=O)CCCCCCF 1458a_100000184570_100015922095 [0,2,0,0,0,0|0,0,0]=2 10697 B11R0.4 CSCC(=O)CCCCCCO 1458a_100000184570_100000766143 [0,2,0,0,0,0|0,0,0]=2 10698 B11R0.4 CSCC(=O)NCCCCC#N 11a_100000751965_100000184570 [0,2,0,0,0,0|1,0,1]=4 10699 B11R0.4 CSCC(=O)NCCCCC#N 1626a_100000751965_100000184570 [0,2,0,0,0,0|1,0,1]=4 10700 B11R0.4 CSCC(=O)NCCCCC#N 240690a_100000751965_100000184570 [0,2,0,0,0,0|1,0,1]=4 10701 B11R0.4 CSCC(=O)NCCCCC#N 527a_100000751965_100000184570 [0,2,0,0,0,0|1,0,1]=4 10702 B11R0.4 CSCC(=O)NCCCCCO 240690a_100000762737_100000184570 [0,2,0,0,0,0|1,0,0]=3 10703 B11R0.4 CSCC(=O)NCCOCCO 240690a_100000211614_100000184570 [0,2,0,0,0,0|2,0,0]=4 10704 B11R0.4 CSCC(=O)NCCSCCO 240690a_100011219999_100000184570 [0,2,0,0,0,0|2,0,0]=4 10705 B11R0.4 CSCC(=O)NCCSCCO 527a_100011219999_100000184570 [0,2,0,0,0,0|2,0,0]=4 10706 B11R0.4 CSCCCNCC(=O)NCO 2230a_100000749238_100000185155 [0,2,0,0,0,0|2,0,0]=4 10707 B11R0.4 CSCCCOCC(=O)NCO 34a_100000690336_100000185155 [0,2,0,0,0,0|2,0,0]=4 10708 B11R0.4 CSCCCOCC(=O)NCO 7a_100000690336_100000185155 [0,2,0,0,0,0|2,0,0]=4 10709 B11R0.4 N#CCC(=O)CCCCCCF 1458a_100051588842_100015922095 [0,2,0,0,0,0|0,0,1]=3 10710 B11R0.4 N#CCC(=O)CCCCCCO 1458a_100011996774_100011214920 [0,2,0,0,0,0|0,0,1]=3 10711 B11R0.4 N#CCC(=O)CCCCCCO 1458a_100051588842_100000766143 [0,2,0,0,0,0|0,0,1]=3 10712 B11R0.4 N#CCC(=O)NCCCCCO 240690a_100000762737_100051588842 [0,2,0,0,0,0|1,0,1]=4 10713 B11R0.4 N#CCCCCCC(=O)CC#N 1458a_100051588842_100009813376 [0,2,0,0,0,0|0,0,2]=4 10714 B11R0.4 N#CCCCCCC(=O)CCO 1458a_100011216618_100009813376 [0,2,0,0,0,0|0,0,1]=3 10715 B11R0.4 N#CCCCCNC(=O)CCO 240690a_100000751965_100011216618 [0,2,0,0,0,0|1,0,1]=4 10716 B11R0.4 NCCCCOCC(=O)NCO 34a_100000750430_100000185155 [0,2,0,0,0,0|2,0,0]=4 10717 B11R0.4 O=C(C=CBr)CCCCCCF 1458a_100016273825_100015922095 [0,2,0,0,0,0|0,0,2]=4 10718 B11R0.4 O=C(C=CBr)CCCCCCO 1458a_100016273825_100000766143 [0,2,0,0,0,0|0,0,2]=4 10719 B11R0.4 O=C(C=CCl)CCCCCCF 1458a_200016279998_100015922095 [0,2,0,0,0,0|0,0,2]=4 10720 B11R0.4 O=C(C=CCl)CCCCCCO 1458a_200016279998_100000766143 [0,2,0,0,0,0|0,0,2]=4 10721 B11R0.4 O=C(C=CI)CCCCCCF 1458a_100016256311_100015922095 [0,2,0,0,0,0|0,0,2]=4 10722 B11R0.4 O=C(C=CI)CCCCCCO 1458a_100016256311_100000766143 [0,2,0,0,0,0|0,0,2]=4 10723 B11R0.4 O=C(CCF)CCCCCCO 1458a_100011996774_100011217306 [0,2,0,0,0,0|0,0,0]=2 10724 B11R0.4 O=C(CCO)CCCCCCF 1458a_100011216618_100015922095 [0,2,0,0,0,0|0,0,0]=2 10725 B11R0.4 O=C(CCO)CCCCCCO 1458a_100011216618_100000766143 [0,2,0,0,0,0|0,0,0]=2 10726 B11R0.4 O=C(CCO)CCCCCCO 1458a_100011996774_100000211926 [0,2,0,0,0,0|0,0,0]=2 10727 B11R0.4 O=C(CCO)NCCCCCO 240690a_100000762737_100011216618 [0,2,0,0,0,0|1,0,0]=3 10728 B11R0.4 O=C(CCO)NCCOCCO 240690a_100000211614_100011216618 [0,2,0,0,0,0|2,0,0]=4 10729 B11R0.4 O=C(CCO)NCCSCCO 240690a_100011219999_100011216618 [0,2,0,0,0,0|2,0,0]=4 10730 B11R0.4 O=C(CNCCCCO)NCO 2230a_100000750430_100000185155 [0,2,0,0,0,0|2,0,0]=4 10731 B11R0.4 O=C(CNCCCCO)NCO 34a_100000750430_100000185155 [0,2,0,0,0,0|2,0,0]=4 10732 B11R0.4 O=C(COCCCCBr)NCO 34a_100011216708_100000185155 [0,2,0,0,0,0|2,0,0]=4 10733 B11R0.4 O=C(COCCCCCl)NCO 34a_100000210776_100000185155 [0,2,0,0,0,0|2,0,0]=4 10734 B11R0.4 O=C(COCCCCCl)NCO 7a_100000210776_100000185155 [0,2,0,0,0,0|2,0,0]=4 10735 B11R0.4 O=C(COCCCCF)NCO 34a_100011995726_100000185155 [0,2,0,0,0,0|2,0,0]=4 10736 B11R0.4 O=C(COCCCCF)NCO 7a_100011995726_100000185155 [0,2,0,0,0,0|2,0,0]=4 10737 B11R0.4 O=C(COCCCCI)NCO 34a_200012148704_100000185155 [0,2,0,0,0,0|2,0,0]=4 10738 B11R0.4 O=C(CSCCCCF)NCO 62a_100000185155_100000729493 [0,2,0,0,0,0|2,0,0]=4 10739 B11R0.4 O=C(CSCCCCF)NCO 62a_100000729493_100000185155 [0,2,0,0,0,0|2,0,0]=4 10740 B11R0.4 O=C(CSCCCCO)NCO 62a_100000185155_100000210776 [0,2,0,0,0,0|2,0,0]=4 10741 B11R0.4 O=C(CSCCCCO)NCO 62a_100000210776_100000185155 [0,2,0,0,0,0|2,0,0]=4 10742 B11R0.4 [N-]=[N+]=NCCCCC(=O)CCF 1458a_100000070148_100011217306 [0,2,0,0,0,0|2,0,0]=4 10743 B11R0.4 [N-]=[N+]=NCCCCC(=O)CCO 1458a_100000070148_100000211926 [0,2,0,0,0,0|2,0,0]=4 10744 B11R0.5 C#CCC(=O)NC(C)CCCC 1626a_100000126638_100011220946 [0,2,0,0,0,0|1,0,1]=4 10745 B11R0.5 C#CCC(=O)NC(C)CCCC 527a_100000126638_100011220946 [0,2,0,0,0,0|1,0,1]=4 10746 B11R0.5 C=C(CCC)CC(=O)CCCC 1458a_100000138376_100000210211 [0,2,0,0,0,0|1,0,1]=4 10747 B11R0.5 C=CCC(=O)NC(C)CCCC 11a_100000126638_100000210193 [0,2,0,0,0,0|1,0,1]=4 10748 B11R0.5 C=CCC(=O)NC(C)CCCC 1626a_100000126638_100000210193 [0,2,0,0,0,0|1,0,1]=4 10749 B11R0.5 C=CCC(=O)NC(C)CCCC 240690a_100000126638_100000210193 [0,2,0,0,0,0|1,0,1]=4 10750 B11R0.5 C=CCC(=O)NC(C)CCCC 527a_100000126638_100000210193 [0,2,0,0,0,0|1,0,1]=4 10751 B11R0.5 CC=CC(=O)NC(C)CCCC 11a_100000126638_100000210699 [0,2,0,0,0,0|1,0,1]=4 10752 B11R0.5 CC=CC(=O)NC(C)CCCC 1626a_100000126638_100000210699 [0,2,0,0,0,0|1,0,1]=4 10753 B11R0.5 CC=CC(=O)NC(C)CCCC 240690a_100000126638_100000210699 [0,2,0,0,0,0|1,0,1]=4 10754 B11R0.5 CCCC(=O)CC(=O)CCOC 1458a_100000749529_100000747444 [0,2,0,0,0,0|1,0,1]=4 10755 B11R0.5 CCCC(=O)CC(=O)CCSC 1458a_100000174002_100000747444 [0,2,0,0,0,0|1,0,1]=4 10756 B11R0.5 CCCC(=O)CC(=O)COCC 1458a_100000211967_100000747444 [0,2,0,0,0,0|1,0,1]=4 10757 B11R0.5 CCCC(=O)CC(=O)CSCC 1458a_100000230394_100000747444 [0,2,0,0,0,0|1,0,1]=4 10758 B11R0.5 CCCC(=O)CN(C)CCCO 2230a_100000213112_100000747444 [0,2,0,0,0,0|2,0,0]=4 10759 B11R0.5 CCCC(=O)CN(C)CCCO 269982a_100000213112_100000747444 [0,2,0,0,0,0|2,0,0]=4 10760 B11R0.5 CCCC(=O)CN(C)CCOC 2230a_100000743101_100000747444 [0,2,0,0,0,0|2,0,0]=4 10761 B11R0.5 CCCC(=O)CN(C)CCOC 269982a_100000743101_100000747444 [0,2,0,0,0,0|2,0,0]=4 10762 B11R0.5 CCCC(=O)CN(C)CCSC 2230a_100000686725_100000747444 [0,2,0,0,0,0|2,0,0]=4 10763 B11R0.5 CCCC(=O)CN(C)CCSC 269982a_100000686725_100000747444 [0,2,0,0,0,0|2,0,0]=4 10764 B11R0.5 CCCCC(=O)CC(=O)CCC 1458a_100000210183_100000747444 [0,2,0,0,0,0|0,0,1]=3 10765 B11R0.5 CCCCC(=O)CC(=O)NCC 1458a_100000210183_100000183381 [0,2,0,0,0,0|0,0,1]=3 10766 B11R0.5 CCCCC(=O)CC(=O)NCO 1458a_100000210183_100000185155 [0,2,0,0,0,0|1,0,1]=4 10767 B11R0.5 CCCCC(=O)CC(=O)OCC 1458a_100000210183_100000188475 [0,2,0,0,0,0|0,0,1]=3 10768 B11R0.5 CCCCC(=O)CC(=O)OCC 1458a_100000243816_100000210211 [0,2,0,0,0,0|0,0,1]=3 10769 B11R0.5 CCCCC(=O)CS(=O)CCC 1458a_100011387404_100000210211 [0,2,0,0,0,0|1,0,1]=4 10770 B11R0.5 CCCCC(C)NC(=O)CC#N 1626a_100000126638_100051588842 [0,2,0,0,0,0|1,0,1]=4 10771 B11R0.5 CCCCC(C)NC(=O)CC#N 240690a_100000126638_100051588842 [0,2,0,0,0,0|1,0,1]=4 10772 B11R0.5 CCCCC(C)NC(=O)CCC 11a_100000126638_100000211992 [0,2,0,0,0,0|1,0,0]=3 10773 B11R0.5 CCCCC(C)NC(=O)CCC 1626a_100000126638_100000211992 [0,2,0,0,0,0|1,0,0]=3 10774 B11R0.5 CCCCC(C)NC(=O)CCC 240690a_100000126638_100000211992 [0,2,0,0,0,0|1,0,0]=3 10775 B11R0.5 CCCCC(C)NC(=O)CCC 527a_100000126638_100000211992 [0,2,0,0,0,0|1,0,0]=3 10776 B11R0.5 CCCCC(C)NC(=O)CCO 240690a_100000126638_100011216618 [0,2,0,0,0,0|1,0,0]=3 10777 B11R0.5 CCCCC(C)NC(=O)COC 11a_100000126638_100000210968 [0,2,0,0,0,0|1,0,0]=3 10778 B11R0.5 CCCCC(C)NC(=O)COC 1626a_100000126638_100000210968 [0,2,0,0,0,0|1,0,0]=3 10779 B11R0.5 CCCCC(C)NC(=O)COC 240690a_100000126638_100000210968 [0,2,0,0,0,0|1,0,0]=3 10780 B11R0.5 CCCCC(C)NC(=O)COC 527a_100000126638_100000210968 [0,2,0,0,0,0|1,0,0]=3 10781 B11R0.5 CCCCC(C)NC(=O)CSC 11a_100000126638_100000184570 [0,2,0,0,0,0|1,0,0]=3 10782 B11R0.5 CCCCC(C)NC(=O)CSC 1626a_100000126638_100000184570 [0,2,0,0,0,0|1,0,0]=3 10783 B11R0.5 CCCCC(C)NC(=O)CSC 240690a_100000126638_100000184570 [0,2,0,0,0,0|1,0,0]=3 10784 B11R0.5 CCCCC(C)NC(=O)CSC 527a_100000126638_100000184570 [0,2,0,0,0,0|1,0,0]=3 10785 B11R0.5 CCCCC(C)NC(=O)NCC 2708a_100000126638_100015525214 [0,2,0,0,0,0|1,0,0]=3 10786 B11R0.5 CCCCC(C)NC(=O)NCC 2708a_100015525214_100000126638 [0,2,0,0,0,0|1,0,0]=3 10787 B11R0.5 CCCCC(C)NC(=O)NCC 273464a_100000126638_100015525214 [0,2,0,0,0,0|1,0,0]=3 10788 B11R0.5 CCCCC(C)NC(=O)NCC 273464a_100015525214_100000126638 [0,2,0,0,0,0|1,0,0]=3 10789 B11R0.5 CCCCC(C)NC(=O)NCC 512a_100000126638_100015525214 [0,2,0,0,0,0|1,0,0]=3 10790 B11R0.5 CCCCC(C)NC(=O)NCC 512a_100015525214_100000126638 [0,2,0,0,0,0|1,0,0]=3 10791 B11R0.5 CCCCC(C)NC(=O)NNC 273464a_100000126638_100016993582 [0,2,0,0,0,0|2,0,0]=4 10792 B11R0.5 CCCCC(C)NC(=O)NNC 512a_100000126638_100016993582 [0,2,0,0,0,0|2,0,0]=4 10793 B11R0.5 CCCCC(C)NC(=O)NNC 512a_100016993582_100000126638 [0,2,0,0,0,0|2,0,0]=4 10794 B11R0.5 CCCCN(C)CC(=O)CCC 2230a_100000207549_100000747444 [0,2,0,0,0,0|1,0,0]=3 10795 B11R0.5 CCCCN(C)CC(=O)CCC 269982a_100000207549_100000747444 [0,2,0,0,0,0|1,0,0]=3 10796 B11R0.5 CCCCN(C)CC(=O)NCC 2230a_100000207549_100000183381 [0,2,0,0,0,0|1,0,0]=3 10797 B11R0.5 CCCCN(C)CC(=O)NCC 2230a_100000741943_100000210211 [0,2,0,0,0,0|1,0,0]=3 10798 B11R0.5 CCCCN(C)CC(=O)NCC 269982a_100000207549_100000183381 [0,2,0,0,0,0|1,0,0]=3 10799 B11R0.5 CCCCN(C)CC(=O)NCC 269982a_100000741943_100000210211 [0,2,0,0,0,0|1,0,0]=3 10800 B11R0.5 CCCCN(C)CC(=O)NCO 2230a_100000207549_100000185155 [0,2,0,0,0,0|2,0,0]=4 10801 B11R0.5 CCCCN(C)CC(=O)NCO 269982a_100000207549_100000185155 [0,2,0,0,0,0|2,0,0]=4 10802 B11R0.5 CCCCN(C)CC(=O)OCC 2230a_100000207549_100000188475 [0,2,0,0,0,0|1,0,0]=3 10803 B11R0.5 CCCCN(C)CC(=O)OCC 2230a_100000220588_100000210211 [0,2,0,0,0,0|1,0,0]=3 10804 B11R0.5 CCCCN(C)CC(=O)OCC 269982a_100000207549_100000188475 [0,2,0,0,0,0|1,0,0]=3 10805 B11R0.5 CCCNC(=O)CC(=O)CCC 1458a_100000211992_100000183358 [0,2,0,0,0,0|1,0,1]=4 10806 B11R0.5 CCCNC(=O)CC(=O)CCO 1458a_100011216618_100000183358 [0,2,0,0,0,0|1,0,1]=4 10807 B11R0.5 CCCNC(=O)CC(=O)COC 1458a_100000210968_100000183358 [0,2,0,0,0,0|1,0,1]=4 10808 B11R0.5 CCCNC(=O)CC(=O)CSC 1458a_100000184570_100000183358 [0,2,0,0,0,0|1,0,1]=4 10809 B11R0.5 CCCNC(=O)CC(=O)OCC 240690a_100020643023_100000243816 [0,2,0,0,0,0|1,0,1]=4 10810 B11R0.5 CCCOC(=O)CC(=O)CCC 1458a_100000211992_200011215008 [0,2,0,0,0,0|1,0,1]=4 10811 B11R0.5 CCCOC(=O)CC(=O)CCO 1458a_100011216618_200011215008 [0,2,0,0,0,0|1,0,1]=4 10812 B11R0.5 CCCOC(=O)CC(=O)COC 1458a_100000210968_200011215008 [0,2,0,0,0,0|1,0,1]=4 10813 B11R0.5 CCCOC(=O)CC(=O)CSC 1458a_100000184570_200011215008 [0,2,0,0,0,0|1,0,1]=4 10814 B11R0.5 CCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000210303 [0,2,0,0,0,0|1,0,0]=3 10815 B11R0.5 CCCSC(C)CC(=O)OCC 62a_100000210303_100009817359 [0,2,0,0,0,0|1,0,0]=3 10816 B11R0.5 CCCSC(C)CC(=O)OCC 62a_100009817359_100000210303 [0,2,0,0,0,0|1,0,0]=3 10817 B11R0.5 CCCSC(C)OC(=O)OCC 62a_100000036008_100000210303 [0,2,0,0,0,0|2,0,0]=4 10818 B11R0.5 CCCSC(C)OC(=O)OCC 62a_100000210303_100000036008 [0,2,0,0,0,0|2,0,0]=4 10819 B11R0.5 CCNC(=O)CC(=O)CCOC 1458a_100000749529_100000183381 [0,2,0,0,0,0|1,0,1]=4 10820 B11R0.5 CCNC(=O)CC(=O)CCSC 1458a_100000174002_100000183381 [0,2,0,0,0,0|1,0,1]=4 10821 B11R0.5 CCNC(=O)CC(=O)COCC 1458a_100000211967_100000183381 [0,2,0,0,0,0|1,0,1]=4 10822 B11R0.5 CCNC(=O)CC(=O)CSCC 1458a_100000230394_100000183381 [0,2,0,0,0,0|1,0,1]=4 10823 B11R0.5 CCNC(=O)CN(C)CCCF 2230a_100000741943_100011934791 [0,2,0,0,0,0|2,0,0]=4 10824 B11R0.5 CCNC(=O)CN(C)CCCF 269982a_100000741943_100011934791 [0,2,0,0,0,0|2,0,0]=4 10825 B11R0.5 CCNC(=O)CN(C)CCCO 2230a_100000213112_100000183381 [0,2,0,0,0,0|2,0,0]=4 10826 B11R0.5 CCNC(=O)CN(C)CCCO 2230a_100000741943_100000230001 [0,2,0,0,0,0|2,0,0]=4 10827 B11R0.5 CCNC(=O)CN(C)CCCO 269982a_100000213112_100000183381 [0,2,0,0,0,0|2,0,0]=4 10828 B11R0.5 CCNC(=O)CN(C)CCCO 269982a_100000741943_100011215043 [0,2,0,0,0,0|2,0,0]=4 10829 B11R0.5 CCNC(=O)CN(C)CCOC 2230a_100000741943_100011201679 [0,2,0,0,0,0|2,0,0]=4 10830 B11R0.5 CCNC(=O)CN(C)CCOC 2230a_100000743101_100000183381 [0,2,0,0,0,0|2,0,0]=4 10831 B11R0.5 CCNC(=O)CN(C)CCOC 240690a_100015525214_100015184299 [0,2,0,0,0,0|2,0,0]=4 10832 B11R0.5 CCNC(=O)CN(C)CCOC 269982a_100000741943_100000233755 [0,2,0,0,0,0|2,0,0]=4 10833 B11R0.5 CCNC(=O)CN(C)CCOC 269982a_100000743101_100000183381 [0,2,0,0,0,0|2,0,0]=4 10834 B11R0.5 CCNC(=O)CN(C)CCOC 527a_100015525214_100015184299 [0,2,0,0,0,0|2,0,0]=4 10835 B11R0.5 CCNC(=O)CN(C)CCSC 2230a_100000686725_100000183381 [0,2,0,0,0,0|2,0,0]=4 10836 B11R0.5 CCNC(=O)CN(C)CCSC 2230a_100000741943_100000751147 [0,2,0,0,0,0|2,0,0]=4 10837 B11R0.5 CCNC(=O)CN(C)CCSC 269982a_100000686725_100000183381 [0,2,0,0,0,0|2,0,0]=4 10838 B11R0.5 CCNC(=O)CN(C)CCSC 269982a_100000741943_100000212216 [0,2,0,0,0,0|2,0,0]=4 10839 B11R0.5 CCNC(=O)CN(C)COCC 269982a_100000741943_100000739092 [0,2,0,0,0,0|2,0,0]=4 10840 B11R0.5 CCOC(=O)CC(=O)CCCF 1458a_100000243816_100011934791 [0,2,0,0,0,0|1,0,1]=4 10841 B11R0.5 CCOC(=O)CC(=O)CCCO 1458a_100000243816_100011215043 [0,2,0,0,0,0|1,0,1]=4 10842 B11R0.5 CCOC(=O)CC(=O)CCOC 1458a_100000243816_100000233755 [0,2,0,0,0,0|1,0,1]=4 10843 B11R0.5 CCOC(=O)CC(=O)CCOC 1458a_100000749529_100000188475 [0,2,0,0,0,0|1,0,1]=4 10844 B11R0.5 CCOC(=O)CC(=O)CCSC 1458a_100000174002_100000188475 [0,2,0,0,0,0|1,0,1]=4 10845 B11R0.5 CCOC(=O)CC(=O)CCSC 1458a_100000243816_100000751147 [0,2,0,0,0,0|1,0,1]=4 10846 B11R0.5 CCOC(=O)CC(=O)CSCC 1458a_100000230394_100000188475 [0,2,0,0,0,0|1,0,1]=4 10847 B11R0.5 CCOC(=O)CC(=O)CSCC 62a_100000210202_100000210311 [0,2,0,0,0,0|1,0,1]=4 10848 B11R0.5 CCOC(=O)CC(=O)CSCC 62a_100000210311_100000210202 [0,2,0,0,0,0|1,0,1]=4 10849 B11R0.5 CCOC(=O)CC(C)NCCO 2230a_100016997473_100009817359 [0,2,0,0,0,0|2,0,0]=4 10850 B11R0.5 CCOC(=O)CC(C)SCCF 62a_100009817359_100011217306 [0,2,0,0,0,0|2,0,0]=4 10851 B11R0.5 CCOC(=O)CC(C)SCCF 62a_100011217306_100009817359 [0,2,0,0,0,0|2,0,0]=4 10852 B11R0.5 CCOC(=O)CC(C)SCCO 62a_100000211926_100009817359 [0,2,0,0,0,0|2,0,0]=4 10853 B11R0.5 CCOC(=O)CC(C)SCCO 62a_100009817359_100000211926 [0,2,0,0,0,0|2,0,0]=4 10854 B11R0.5 CCOC(=O)CC(C)SCOC 62a_100000766300_100009817359 [0,2,0,0,0,0|2,0,0]=4 10855 B11R0.5 CCOC(=O)CC(C)SCOC 62a_100009817359_100000766300 [0,2,0,0,0,0|2,0,0]=4 10856 B11R0.5 CCOC(=O)CC(C)SCSC 62a_100009817359_100011218213 [0,2,0,0,0,0|2,0,0]=4 10857 B11R0.5 CCOC(=O)CC(C)SCSC 62a_100011218213_100009817359 [0,2,0,0,0,0|2,0,0]=4 10858 B11R0.5 CCOC(=O)CN(C)CCCF 2230a_100000220588_100011934791 [0,2,0,0,0,0|2,0,0]=4 10859 B11R0.5 CCOC(=O)CN(C)CCCO 2230a_100000213112_100000188475 [0,2,0,0,0,0|2,0,0]=4 10860 B11R0.5 CCOC(=O)CN(C)CCCO 2230a_100000220588_100000230001 [0,2,0,0,0,0|2,0,0]=4 10861 B11R0.5 CCOC(=O)CN(C)CCCO 269982a_100000213112_100000188475 [0,2,0,0,0,0|2,0,0]=4 10862 B11R0.5 CCOC(=O)CN(C)CCOC 2230a_100000220588_100011201679 [0,2,0,0,0,0|2,0,0]=4 10863 B11R0.5 CCOC(=O)CN(C)CCOC 2230a_100000743101_100000188475 [0,2,0,0,0,0|2,0,0]=4 10864 B11R0.5 CCOC(=O)CN(C)CCOC 269982a_100000743101_100000188475 [0,2,0,0,0,0|2,0,0]=4 10865 B11R0.5 CCOC(=O)CN(C)CCSC 2230a_100000220588_100000751147 [0,2,0,0,0,0|2,0,0]=4 10866 B11R0.5 CCOC(=O)CN(C)CCSC 2230a_100000686725_100000188475 [0,2,0,0,0,0|2,0,0]=4 10867 B11R0.5 CCOC(=O)CN(C)CCSC 269982a_100000686725_100000188475 [0,2,0,0,0,0|2,0,0]=4 10868 B11R0.5 CCOC(=O)C[C@@H](C)OCCF 7a_100009816390_100011217306 [0,2,0,0,0,0|2,0,0]=4 10869 B11R0.5 CCOC(=O)C[C@@H](C)OCCO 7a_100009816390_100000211926 [0,2,0,0,0,0|2,0,0]=4 10870 B11R0.5 CCOC(=O)C[C@H](O)CSCC 62a_100000210202_100000688340 [0,2,0,0,0,0|1,0,0]=3 10871 B11R0.5 CCOC(=O)C[C@H](O)CSCC 62a_100000688340_100000210202 [0,2,0,0,0,0|1,0,0]=3 10872 B11R0.5 CCOC(=O)C[C@H](O)CSCF 62a_100000688340_100015361967 [0,2,0,0,0,0|2,0,0]=4 10873 B11R0.5 CCOC(=O)C[C@H](O)CSCF 62a_100015361967_100000688340 [0,2,0,0,0,0|2,0,0]=4 10874 B11R0.5 CCOCC(=O)CC(=O)OCC 1458a_100000211967_100000188475 [0,2,0,0,0,0|1,0,1]=4 10875 B11R0.5 CCOC[C@@H](O)CC(=O)OCC 34a_100121572206_100000688340 [0,2,0,0,0,0|1,0,0]=3 10876 B11R0.62 CCCC(=O)CCC(=O)NCC 1458a_100000199579_100000210303 [0,2,0,0,0,0|0,0,1]=3 10877 B11R0.62 CCCC(=O)CCC(=O)OCC 1458a_100000183558_100000210303 [0,2,0,0,0,0|0,0,1]=3 10878 B11R0.62 CCCC(=O)CNC(=O)OCC 1458a_100000190774_100000210303 [0,2,0,0,0,0|1,0,1]=4 10879 B11R0.62 CCCC(=O)CNC(C)CCC 2230a_100000741246_100000747444 [0,2,0,0,0,0|1,0,0]=3 10880 B11R0.62 CCCC(=O)CN[C@H](C)CCO 2230a_100000706166_100000747444 [0,2,0,0,0,0|2,0,0]=4 10881 B11R0.62 CCCC(=O)CN[C@H](C)COC 2230a_100000764878_100000747444 [0,2,0,0,0,0|2,0,0]=4 10882 B11R0.62 CCCC(=O)COC(=O)CCC 1458a_100000211992_100000034017 [0,2,0,0,0,0|1,0,1]=4 10883 B11R0.62 CCCC(=O)COC(C)CCC 7a_100000764384_100000747444 [0,2,0,0,0,0|1,0,0]=3 10884 B11R0.62 CCCC(=O)CSC(C)CCC 62a_100000747444_100000766640 [0,2,0,0,0,0|1,0,0]=3 10885 B11R0.62 CCCC(=O)CSC(C)CCC 62a_100000766640_100000747444 [0,2,0,0,0,0|1,0,0]=3 10886 B11R0.62 CCCC(=O)CSC(C)CCO 62a_100000747444_100009893172 [0,2,0,0,0,0|2,0,0]=4 10887 B11R0.62 CCCC(=O)CSC(C)CCO 62a_100009893172_100000747444 [0,2,0,0,0,0|2,0,0]=4 10888 B11R0.62 CCCC(=O)CSC(C)COC 62a_100000747444_100000765312 [0,2,0,0,0,0|2,0,0]=4 10889 B11R0.62 CCCC(=O)CSC(C)COC 62a_100000765312_100000747444 [0,2,0,0,0,0|2,0,0]=4 10890 B11R0.62 CCCC(=O)NCC(=O)NCC 11a_100016988866_100000211992 [0,2,0,0,0,0|1,0,1]=4 10891 B11R0.62 CCCC(=O)NCC(=O)NCC 1626a_100016988866_100000211992 [0,2,0,0,0,0|1,0,1]=4 10892 B11R0.62 CCCC(=O)NCC(=O)NCC 240690a_100016988866_100000211992 [0,2,0,0,0,0|1,0,1]=4 10893 B11R0.62 CCCC(=O)NCC(=O)NCC 527a_100016988866_100000211992 [0,2,0,0,0,0|1,0,1]=4 10894 B11R0.62 CCCC(=O)NCC(=O)OCC 188690a_100000741813_100000211992 [0,2,0,0,0,0|1,0,1]=4 10895 B11R0.62 CCCC(=O)NCC(O)COC 240690a_100000756049_100000211992 [0,2,0,0,0,0|2,0,0]=4 10896 B11R0.62 CCCC(=O)NCC(O)COC 527a_100000756049_100000211992 [0,2,0,0,0,0|2,0,0]=4 10897 B11R0.62 CCCC(=O)OCC(=O)CCO 1458a_100011216618_100000034017 [0,2,0,0,0,0|1,0,1]=4 10898 B11R0.62 CCCC(=O)OCC(=O)COC 1458a_100000210968_100000034017 [0,2,0,0,0,0|1,0,1]=4 10899 B11R0.62 CCCC(=O)OCC(=O)CSC 1458a_100000184570_100000034017 [0,2,0,0,0,0|1,0,1]=4 10900 B11R0.62 CCCC(=O)OCN(C)CCC 2230a_100000747261_100000034017 [0,2,0,0,0,0|2,0,0]=4 10901 B11R0.62 CCCC(=O)OCN(C)CCC 269982a_100000747261_100000034017 [0,2,0,0,0,0|2,0,0]=4 10902 B11R0.62 CCCC(C)CCC(C)NCC 270004a_100015525214_200011216527 [0,2,0,0,0,0|1,0,1]=4 10903 B11R0.62 CCCC(C)NCC(=O)NCC 2230a_100000741246_100000183381 [0,2,0,0,0,0|1,0,0]=3 10904 B11R0.62 CCCC(C)NCC(=O)NCC 2230a_100016988866_100000766640 [0,2,0,0,0,0|1,0,0]=3 10905 B11R0.62 CCCC(C)NCC(=O)NCC 270004a_100016988866_100000211909 [0,2,0,0,0,0|1,0,0]=3 10906 B11R0.62 CCCC(C)NCC(=O)NCO 2230a_100000741246_100000185155 [0,2,0,0,0,0|2,0,0]=4 10907 B11R0.62 CCCC(C)NCC(=O)OCC 2230a_100000741246_100000188475 [0,2,0,0,0,0|1,0,0]=3 10908 B11R0.62 CCCC(C)OCC(=O)NCC 34a_100000764384_100000183381 [0,2,0,0,0,0|1,0,0]=3 10909 B11R0.62 CCCC(C)OCC(=O)NCC 7a_100000764384_100000183381 [0,2,0,0,0,0|1,0,0]=3 10910 B11R0.62 CCCC(C)OCC(=O)NCO 34a_100000764384_100000185155 [0,2,0,0,0,0|2,0,0]=4 10911 B11R0.62 CCCC(C)OCC(=O)NCO 7a_100000764384_100000185155 [0,2,0,0,0,0|2,0,0]=4 10912 B11R0.62 CCCC(C)OCC(=O)OCC 34a_100000764384_100000188475 [0,2,0,0,0,0|1,0,0]=3 10913 B11R0.62 CCCC(C)OCC(=O)OCC 7a_100000764384_100000188475 [0,2,0,0,0,0|1,0,0]=3 10914 B11R0.62 CCCC(C)SCC(=O)NCC 62a_100000183381_100000766640 [0,2,0,0,0,0|1,0,0]=3 10915 B11R0.62 CCCC(C)SCC(=O)NCC 62a_100000766640_100000183381 [0,2,0,0,0,0|1,0,0]=3 10916 B11R0.62 CCCC(C)SCC(=O)NCO 62a_100000185155_100000766640 [0,2,0,0,0,0|2,0,0]=4 10917 B11R0.62 CCCC(C)SCC(=O)NCO 62a_100000766640_100000185155 [0,2,0,0,0,0|2,0,0]=4 10918 B11R0.62 CCCC(C)SCC(=O)OCC 62a_100000188475_100000766640 [0,2,0,0,0,0|1,0,0]=3 10919 B11R0.62 CCCC(C)SCC(=O)OCC 62a_100000766640_100000188475 [0,2,0,0,0,0|1,0,0]=3 10920 B11R0.62 CCCN(C)CCC(=O)NCC 2230a_100000747261_100000737597 [0,2,0,0,0,0|1,0,0]=3 10921 B11R0.62 CCCN(C)CCC(=O)NCC 269982a_100000747261_100000737597 [0,2,0,0,0,0|1,0,0]=3 10922 B11R0.62 CCCN(C)CCC(=O)OCC 2230a_100000745921_100000210303 [0,2,0,0,0,0|1,0,0]=3 10923 B11R0.62 CCCN(C)CCC(=O)OCC 2230a_100000747261_100011206558 [0,2,0,0,0,0|1,0,0]=3 10924 B11R0.62 CCCN(C)CCC(=O)OCC 269982a_100000745921_100000210303 [0,2,0,0,0,0|1,0,0]=3 10925 B11R0.62 CCCN(C)CCC(=O)OCC 269982a_100000747261_100011206558 [0,2,0,0,0,0|1,0,0]=3 10926 B11R0.62 CCNC(=O)CCC(=O)CCF 1458a_100000199579_100011217306 [0,2,0,0,0,0|1,0,1]=4 10927 B11R0.62 CCNC(=O)CCC(=O)CCO 1458a_100000199579_100000211926 [0,2,0,0,0,0|1,0,1]=4 10928 B11R0.62 CCNC(=O)CCC(=O)NCC 11a_100015525214_100000199579 [0,2,0,0,0,0|1,0,1]=4 10929 B11R0.62 CCNC(=O)CCC(=O)NCC 240690a_100015525214_100000199579 [0,2,0,0,0,0|1,0,1]=4 10930 B11R0.62 CCNC(=O)CCC(=O)OCC 11a_100015525214_100000183558 [0,2,0,0,0,0|1,0,1]=4 10931 B11R0.62 CCNC(=O)CCC(=O)OCC 240690a_100015525214_100000183558 [0,2,0,0,0,0|1,0,1]=4 10932 B11R0.62 CCNC(=O)CCN(C)CCO 2230a_100000210263_100000737597 [0,2,0,0,0,0|2,0,0]=4 10933 B11R0.62 CCNC(=O)CCN(C)CCO 269982a_100000210263_100000737597 [0,2,0,0,0,0|2,0,0]=4 10934 B11R0.62 CCNC(=O)CNC(C)CCO 2230a_100016988866_100009893172 [0,2,0,0,0,0|2,0,0]=4 10935 B11R0.62 CCNC(=O)CNC(C)COC 2230a_100016988866_100000765312 [0,2,0,0,0,0|2,0,0]=4 10936 B11R0.62 CCNC(=O)CNC(C)COC 270004a_100016988866_100000749346 [0,2,0,0,0,0|2,0,0]=4 10937 B11R0.62 CCNC(=O)CNC(C)CSC 270004a_100016988866_100011216314 [0,2,0,0,0,0|2,0,0]=4 10938 B11R0.62 CCNC(=O)CN[C@H](C)CCO 2230a_100000706166_100000183381 [0,2,0,0,0,0|2,0,0]=4 10939 B11R0.62 CCNC(=O)CN[C@H](C)CCO 34a_100000706166_100000183381 [0,2,0,0,0,0|2,0,0]=4 10940 B11R0.62 CCNC(=O)CN[C@H](C)COC 2230a_100000764878_100000183381 [0,2,0,0,0,0|2,0,0]=4 10941 B11R0.62 CCNC(=O)COC(C)CCBr 34a_100012276601_100000183381 [0,2,0,0,0,0|2,0,0]=4 10942 B11R0.62 CCNC(=O)CO[C@H](C)COC 34a_100011934205_100000183381 [0,2,0,0,0,0|2,0,0]=4 10943 B11R0.62 CCNC(=O)CSC(C)CCO 62a_100000183381_100009893172 [0,2,0,0,0,0|2,0,0]=4 10944 B11R0.62 CCNC(=O)CSC(C)CCO 62a_100009893172_100000183381 [0,2,0,0,0,0|2,0,0]=4 10945 B11R0.62 CCNC(=O)CSC(C)COC 62a_100000183381_100000765312 [0,2,0,0,0,0|2,0,0]=4 10946 B11R0.62 CCNC(=O)CSC(C)COC 62a_100000765312_100000183381 [0,2,0,0,0,0|2,0,0]=4 10947 B11R0.62 CCNC(=O)NCC(O)COC 2708a_100015525214_100000756049 [0,2,0,0,0,0|2,0,0]=4 10948 B11R0.62 CCNC(=O)NCC(O)COC 273464a_100000756049_100015525214 [0,2,0,0,0,0|2,0,0]=4 10949 B11R0.62 CCNC(=O)NCC(O)COC 273464a_100015525214_100000756049 [0,2,0,0,0,0|2,0,0]=4 10950 B11R0.62 CCNC(=O)NCC(O)COC 512a_100000756049_100015525214 [0,2,0,0,0,0|2,0,0]=4 10951 B11R0.62 CCNC(=O)NCC(O)COC 512a_100015525214_100000756049 [0,2,0,0,0,0|2,0,0]=4 10952 B11R0.62 CCNC(C)CCC(=O)OCC 2230a_100015525214_100000748298 [0,2,0,0,0,0|1,0,0]=3 10953 B11R0.62 CCOC(=O)CCC(=O)CCF 1458a_100000183558_100011217306 [0,2,0,0,0,0|1,0,1]=4 10954 B11R0.62 CCOC(=O)CCC(=O)CCO 1458a_100000183558_100000211926 [0,2,0,0,0,0|1,0,1]=4 10955 B11R0.62 CCOC(=O)CCC(C)OCC 34a_100121572206_100000748298 [0,2,0,0,0,0|1,0,0]=3 10956 B11R0.62 CCOC(=O)CCC(C)SCC 62a_100000210202_100000748298 [0,2,0,0,0,0|1,0,0]=3 10957 B11R0.62 CCOC(=O)CCC(C)SCC 62a_100000748298_100000210202 [0,2,0,0,0,0|1,0,0]=3 10958 B11R0.62 CCOC(=O)CCC(C)SCF 62a_100000748298_100015361967 [0,2,0,0,0,0|2,0,0]=4 10959 B11R0.62 CCOC(=O)CCC(C)SCF 62a_100015361967_100000748298 [0,2,0,0,0,0|2,0,0]=4 10960 B11R0.62 CCOC(=O)CCN(C)CCF 2230a_100000745921_100011217306 [0,2,0,0,0,0|2,0,0]=4 10961 B11R0.62 CCOC(=O)CCN(C)CCF 269982a_100000745921_100011217306 [0,2,0,0,0,0|2,0,0]=4 10962 B11R0.62 CCOC(=O)CCN(C)CCO 2230a_100000210263_100011206558 [0,2,0,0,0,0|2,0,0]=4 10963 B11R0.62 CCOC(=O)CCN(C)CCO 2230a_100000745921_100000211926 [0,2,0,0,0,0|2,0,0]=4 10964 B11R0.62 CCOC(=O)CCN(C)CCO 269982a_100000210263_100011206558 [0,2,0,0,0,0|2,0,0]=4 10965 B11R0.62 CCOC(=O)CCN(C)CCO 269982a_100000745921_100000211926 [0,2,0,0,0,0|2,0,0]=4 10966 B11R0.62 CCOC(=O)CCN(C)COC 2230a_100000745921_100000766300 [0,2,0,0,0,0|2,0,0]=4 10967 B11R0.62 CCOC(=O)CCN(C)COC 269982a_100000745921_100000766300 [0,2,0,0,0,0|2,0,0]=4 10968 B11R0.62 CCOC(=O)CCN(C)CSC 2230a_100000745921_100011218213 [0,2,0,0,0,0|2,0,0]=4 10969 B11R0.62 CCOC(=O)CCN(C)CSC 269982a_100000745921_100011218213 [0,2,0,0,0,0|2,0,0]=4 10970 B11R0.62 CCOC(=O)CN[C@H](C)CCO 2230a_100000706166_100000188475 [0,2,0,0,0,0|2,0,0]=4 10971 B11R0.62 CCOC(=O)CN[C@H](C)CCO 34a_100000706166_100000188475 [0,2,0,0,0,0|2,0,0]=4 10972 B11R0.62 CCOC(=O)CN[C@H](C)COC 2230a_100000764878_100000188475 [0,2,0,0,0,0|2,0,0]=4 10973 B11R0.62 CCOC(=O)COC(C)CCBr 34a_100012276601_100000188475 [0,2,0,0,0,0|2,0,0]=4 10974 B11R0.62 CCOC(=O)CO[C@H](C)COC 34a_100011934205_100000188475 [0,2,0,0,0,0|2,0,0]=4 10975 B11R0.62 CCOC(=O)CSC(C)CCO 62a_100000188475_100009893172 [0,2,0,0,0,0|2,0,0]=4 10976 B11R0.62 CCOC(=O)CSC(C)CCO 62a_100009893172_100000188475 [0,2,0,0,0,0|2,0,0]=4 10977 B11R0.62 CCOC(=O)CSC(C)COC 62a_100000188475_100000765312 [0,2,0,0,0,0|2,0,0]=4 10978 B11R0.62 CCOC(=O)CSC(C)COC 62a_100000765312_100000188475 [0,2,0,0,0,0|2,0,0]=4 10979 B11R0.62 COCC(=O)NCC(O)COC 240690a_100000756049_100000210968 [0,2,0,0,0,0|2,0,0]=4 10980 B11R0.62 COCC(=O)NCC(O)COC 527a_100000756049_100000210968 [0,2,0,0,0,0|2,0,0]=4 10981 B11R0.62 COCC(O)CNC(=O)CCO 240690a_100000756049_100011216618 [0,2,0,0,0,0|2,0,0]=4 10982 B11R0.62 COCC(O)CNC(=O)CSC 240690a_100000756049_100000184570 [0,2,0,0,0,0|2,0,0]=4 10983 B11R0.62 COCC(O)CNC(=O)CSC 527a_100000756049_100000184570 [0,2,0,0,0,0|2,0,0]=4 10984 B11R0.81 C#CCCC(=O)C/C=C/CCC 1458a_200016266809_100000753159 [0,2,0,0,0,0|0,0,2]=4 10985 B11R0.81 C#CCCC(=O)C=CCCCC 1458a_100016266645_100000753159 [0,2,0,0,0,0|0,0,2]=4 10986 B11R0.81 C#CCCC(=O)CC/C=C\CC 1458a_100000692101_100015370543 [0,2,0,0,0,0|0,0,2]=4 10987 B11R0.81 C#CCCC(=O)CCCCC#N 1458a_100000692101_100000211819 [0,2,0,0,0,0|1,0,1]=4 10988 B11R0.81 C#CCCC(=O)CCCCC=C 1458a_100000692101_100011215482 [0,2,0,0,0,0|0,0,2]=4 10989 B11R0.81 C#CCCC(=O)CCCCC=C 1458a_100011215552_100000753159 [0,2,0,0,0,0|0,0,2]=4 10990 B11R0.81 C#CCCC(=O)CCCCCC 1458a_100000692101_100000210757 [0,2,0,0,0,0|0,0,0]=2 10991 B11R0.81 C#CCCC(=O)CCCCCC 1458a_100102632555_100000753159 [0,2,0,0,0,0|0,0,0]=2 10992 B11R0.81 C#CCCC(=O)CCCCCF 1458a_100000692101_100000729378 [0,2,0,0,0,0|1,0,0]=3 10993 B11R0.81 C#CCCC(=O)CCCCCO 1458a_100000692101_100000746330 [0,2,0,0,0,0|1,0,0]=3 10994 B11R0.81 C#CCCC(=O)CCCCCO 1458a_100102619762_100000753159 [0,2,0,0,0,0|1,0,0]=3 10995 B11R0.81 C#CCCC(=O)CCCCOC 1458a_100000692101_100000755781 [0,2,0,0,0,0|1,0,0]=3 10996 B11R0.81 C#CCCC(=O)CCCOCC 1458a_100000692101_100012232248 [0,2,0,0,0,0|1,0,0]=3 10997 B11R0.81 C#CCCC(=O)CCOCCC 1458a_100000692101_100011215938 [0,2,0,0,0,0|1,0,0]=3 10998 B11R0.81 C#CCCC(=O)CCOCCC 34a_100011064465_100000210303 [0,2,0,0,0,0|1,0,0]=3 10999 B11R0.81 C#CCCC(=O)CCOCCC 7a_100011064465_100000210303 [0,2,0,0,0,0|1,0,0]=3 11000 B11R0.81 C#CCCC(=O)CCOCCF 34a_100011064465_100011217306 [0,2,0,0,0,0|2,0,0]=4 11001 B11R0.81 C#CCCC(=O)CCOCCF 7a_100011064465_100011217306 [0,2,0,0,0,0|2,0,0]=4 11002 B11R0.81 C#CCCC(=O)CCOCCO 1458a_100000692101_100011215305 [0,2,0,0,0,0|2,0,0]=4 11003 B11R0.81 C#CCCC(=O)CCOCCO 1458a_100011229844_100000753159 [0,2,0,0,0,0|2,0,0]=4 11004 B11R0.81 C#CCCC(=O)CCOCCO 34a_100011064465_100000211926 [0,2,0,0,0,0|2,0,0]=4 11005 B11R0.81 C#CCCC(=O)CCOCCO 7a_100011064465_100000211926 [0,2,0,0,0,0|2,0,0]=4 11006 B11R0.81 C#CCCC(=O)CCOCSC 34a_100011064465_100011218213 [0,2,0,0,0,0|2,0,0]=4 11007 B11R0.81 C#CCCC(=O)COCCCC 1458a_100000692101_100011995733 [0,2,0,0,0,0|1,0,0]=3 11008 B11R0.81 C#CCCC(=O)COCCCC 1458a_100000757543_100000753159 [0,2,0,0,0,0|1,0,0]=3 11009 B11R0.81 C#CCCC(=O)COCCOC 1458a_100000211095_100000753159 [0,2,0,0,0,0|2,0,0]=4 11010 B11R0.81 C#CCCC(=O)CSCCCC 1458a_100000191162_100000753159 [0,2,0,0,0,0|1,0,0]=3 11011 B11R0.81 C#CCCC(=O)NCCCCC 11a_100000209983_100000692101 [0,2,0,0,0,0|1,0,0]=3 11012 B11R0.81 C#CCCC(=O)NCCCCC 1626a_100000209983_100000692101 [0,2,0,0,0,0|1,0,0]=3 11013 B11R0.81 C#CCCC(=O)NCCCCC 240690a_100000209983_100000692101 [0,2,0,0,0,0|1,0,0]=3 11014 B11R0.81 C#CCCC(=O)NCCCCC 527a_100000209983_100000692101 [0,2,0,0,0,0|1,0,0]=3 11015 B11R0.81 C#CCCC(=O)NCCCCO 240690a_100000750430_100000692101 [0,2,0,0,0,0|2,0,0]=4 11016 B11R0.81 C#CCCC(=O)NCCCCO 527a_100000750430_100000692101 [0,2,0,0,0,0|2,0,0]=4 11017 B11R0.81 C#CCCC(=O)NCCCOC 1626a_100150723488_100000692101 [0,2,0,0,0,0|2,0,0]=4 11018 B11R0.81 C#CCCC(=O)NCCCOC 240690a_100150723488_100000692101 [0,2,0,0,0,0|2,0,0]=4 11019 B11R0.81 C#CCCC(=O)NCCCOC 527a_100150723488_100000692101 [0,2,0,0,0,0|2,0,0]=4 11020 B11R0.81 C#CCCC(=O)NCCCSC 11a_100000749238_100000692101 [0,2,0,0,0,0|2,0,0]=4 11021 B11R0.81 C#CCCC(=O)NCCCSC 1626a_100000749238_100000692101 [0,2,0,0,0,0|2,0,0]=4 11022 B11R0.81 C#CCCC(=O)NCCCSC 240690a_100000749238_100000692101 [0,2,0,0,0,0|2,0,0]=4 11023 B11R0.81 C#CCCC(=O)NCCCSC 527a_100000749238_100000692101 [0,2,0,0,0,0|2,0,0]=4 11024 B11R0.81 C#CCCC(=O)NCCOCC 11a_100011200944_100000692101 [0,2,0,0,0,0|2,0,0]=4 11025 B11R0.81 C#CCCC(=O)NCCOCC 1626a_102516460346_100000692101 [0,2,0,0,0,0|2,0,0]=4 11026 B11R0.81 C#CCCC(=O)NCCOCC 240690a_100011200944_100000692101 [0,2,0,0,0,0|2,0,0]=4 11027 B11R0.81 C#CCCC(=O)NCCOCC 527a_100011200944_100000692101 [0,2,0,0,0,0|2,0,0]=4 11028 B11R0.81 C#CCCC(=O)NCCSCC 11a_100000106463_100000692101 [0,2,0,0,0,0|2,0,0]=4 11029 B11R0.81 C#CCCC(=O)NCCSCC 1626a_100000106463_100000692101 [0,2,0,0,0,0|2,0,0]=4 11030 B11R0.81 C#CCCC(=O)NCCSCC 240690a_100000106463_100000692101 [0,2,0,0,0,0|2,0,0]=4 11031 B11R0.81 C#CCCC(=O)NCCSCC 527a_100000106463_100000692101 [0,2,0,0,0,0|2,0,0]=4 11032 B11R0.81 C#CCCC(=O)NNCCCC 22a_100025702795_100000692101 [0,2,0,0,0,0|2,0,0]=4 11033 B11R0.81 C#CCCCCC(=O)C#CCC 1458a_100011827653_100010269958 [0,2,0,0,0,0|0,0,2]=4 11034 B11R0.81 C#CCCCCC(=O)C/C=C/C 1458a_100000696528_100102629194 [0,2,0,0,0,0|0,0,2]=4 11035 B11R0.81 C#CCCCCC(=O)C=CCC 1458a_100000212282_100010269958 [0,2,0,0,0,0|0,0,2]=4 11036 B11R0.81 C#CCCCCC(=O)CC#CC 1458a_100000696528_100000748600 [0,2,0,0,0,0|0,0,2]=4 11037 B11R0.81 C#CCCCCC(=O)CC=CC 1458a_100000696528_100000070051 [0,2,0,0,0,0|0,0,2]=4 11038 B11R0.81 C#CCCCCC(=O)CC=CC 1458a_100121576822_100010269958 [0,2,0,0,0,0|0,0,2]=4 11039 B11R0.81 C#CCCCCC(=O)CCC#C 1458a_100000692101_100010269958 [0,2,0,0,0,0|0,0,2]=4 11040 B11R0.81 C#CCCCCC(=O)CCC#C 1458a_100000696528_100000753159 [0,2,0,0,0,0|0,0,2]=4 11041 B11R0.81 C#CCCCCC(=O)CCC#N 1458a_100000696528_100011215226 [0,2,0,0,0,0|0,0,2]=4 11042 B11R0.81 C#CCCCCC(=O)CCC#N 1458a_100011934036_100010269958 [0,2,0,0,0,0|0,0,2]=4 11043 B11R0.81 C#CCCCCC(=O)CCC=C 1458a_100000696528_100000754431 [0,2,0,0,0,0|0,0,2]=4 11044 B11R0.81 C#CCCCCC(=O)CCC=C 1458a_100000749702_100010269958 [0,2,0,0,0,0|0,0,2]=4 11045 B11R0.81 C#CCCCCC(=O)CCCC 1458a_100000210183_100010269958 [0,2,0,0,0,0|0,0,2]=4 11046 B11R0.81 C#CCCCCC(=O)CCCC 1458a_100000696528_100000210211 [0,2,0,0,0,0|0,0,2]=4 11047 B11R0.81 C#CCCCCC(=O)CCCF 1458a_100000696528_100011934791 [0,2,0,0,0,0|0,0,2]=4 11048 B11R0.81 C#CCCCCC(=O)CCCO 1458a_100000696528_100011215043 [0,2,0,0,0,0|0,0,2]=4 11049 B11R0.81 C#CCCCCC(=O)CCOC 1458a_100000696528_100000233755 [0,2,0,0,0,0|0,0,2]=4 11050 B11R0.81 C#CCCCCC(=O)CCOC 1458a_100000749529_100010269958 [0,2,0,0,0,0|0,0,2]=4 11051 B11R0.81 C#CCCCCC(=O)CCSC 1458a_100000174002_100010269958 [0,2,0,0,0,0|0,0,2]=4 11052 B11R0.81 C#CCCCCC(=O)CCSC 1458a_100000696528_100000751147 [0,2,0,0,0,0|0,0,2]=4 11053 B11R0.81 C#CCCCCC(=O)COCC 1458a_100000211967_100010269958 [0,2,0,0,0,0|0,0,2]=4 11054 B11R0.81 C#CCCCCC(=O)CSCC 1458a_100000230394_100010269958 [0,2,0,0,0,0|0,0,2]=4 11055 B11R0.81 C#CCCCCC(=O)NCCC 11a_100020643023_100000696528 [0,2,0,0,0,0|0,0,2]=4 11056 B11R0.81 C#CCCCCC(=O)NCCC 1626a_100020643023_100000696528 [0,2,0,0,0,0|0,0,2]=4 11057 B11R0.81 C#CCCCCC(=O)NCCC 240690a_100020643023_100000696528 [0,2,0,0,0,0|0,0,2]=4 11058 B11R0.81 C#CCCCCC(=O)NCCC 527a_100020643023_100000696528 [0,2,0,0,0,0|0,0,2]=4 11059 B11R0.81 C#CCCCCC(=O)NCCF 11a_100000724931_100000696528 [0,2,0,0,0,0|0,0,2]=4 11060 B11R0.81 C#CCCCCC(=O)NCCF 1626a_100000724931_100000696528 [0,2,0,0,0,0|0,0,2]=4 11061 B11R0.81 C#CCCCCC(=O)NCCF 240690a_100000724931_100000696528 [0,2,0,0,0,0|0,0,2]=4 11062 B11R0.81 C#CCCCCC(=O)NCCF 527a_100000724931_100000696528 [0,2,0,0,0,0|0,0,2]=4 11063 B11R0.81 C#CCCCCC(=O)NCCO 240690a_100000210304_100000696528 [0,2,0,0,0,0|0,0,2]=4 11064 B11R0.81 C#CCCCCC(=O)NCCO 527a_100000210304_100000696528 [0,2,0,0,0,0|0,0,2]=4 11065 B11R0.81 C#CCCCCC(=O)NNCC 22a_100000756455_100000696528 [0,2,0,0,0,0|0,0,2]=4 11066 B11R0.81 C#CCCN(C)CCCCCC 2230a_106256046315_100000688953 [0,2,0,0,0,0|2,0,0]=4 11067 B11R0.81 C#CCCN(C)CCCCCC 269982a_106256046315_100000730999 [0,2,0,0,0,0|2,0,0]=4 11068 B11R0.81 C#CCNC(=O)CCCCCC 11a_100000212058_100102632555 [0,2,0,0,0,0|0,0,1]=3 11069 B11R0.81 C#CCNC(=O)CCCCCC 1626a_100000212058_100102632555 [0,2,0,0,0,0|0,0,1]=3 11070 B11R0.81 C#CCNC(=O)CCCCCC 240690a_100000212058_100102632555 [0,2,0,0,0,0|0,0,1]=3 11071 B11R0.81 C#CCNC(=O)CCCCCC 527a_100000212058_100102632555 [0,2,0,0,0,0|0,0,1]=3 11072 B11R0.81 C#CCNC(=O)CCCCCO 240690a_100000212058_100102619762 [0,2,0,0,0,0|1,0,1]=4 11073 B11R0.81 C#CCNC(=O)CNCCCC 2230a_100000747989_100000210211 [0,2,0,0,0,0|1,0,1]=4 11074 B11R0.81 C#CCNC(=O)CNCCCC 34a_100000747989_100000210210 [0,2,0,0,0,0|1,0,1]=4 11075 B11R0.81 C#CCNC(=O)COCCCC 11a_100000212058_100000757543 [0,2,0,0,0,0|1,0,1]=4 11076 B11R0.81 C#CCNC(=O)COCCCC 1626a_100000212058_100000757543 [0,2,0,0,0,0|1,0,1]=4 11077 B11R0.81 C#CCNC(=O)COCCCC 240690a_100000212058_100000757543 [0,2,0,0,0,0|1,0,1]=4 11078 B11R0.81 C#CCNC(=O)COCCCC 527a_100000212058_100000757543 [0,2,0,0,0,0|1,0,1]=4 11079 B11R0.81 C#CCNC(=O)CSCCCC 11a_100000212058_100000191162 [0,2,0,0,0,0|1,0,1]=4 11080 B11R0.81 C#CCNC(=O)CSCCCC 1626a_100000212058_100000191162 [0,2,0,0,0,0|1,0,1]=4 11081 B11R0.81 C#CCNC(=O)CSCCCC 240690a_100000212058_100000191162 [0,2,0,0,0,0|1,0,1]=4 11082 B11R0.81 C#CCNC(=O)CSCCCC 527a_100000212058_100000191162 [0,2,0,0,0,0|1,0,1]=4 11083 B11R0.81 C#CCNC(=O)NCCCCC 2708a_100000209983_100000212058 [0,2,0,0,0,0|1,0,1]=4 11084 B11R0.81 C#CCNC(=O)NCCCCC 2708a_100000212058_100000209983 [0,2,0,0,0,0|1,0,1]=4 11085 B11R0.81 C#CCNC(=O)NCCCCC 273464a_100000209983_100000212058 [0,2,0,0,0,0|1,0,1]=4 11086 B11R0.81 C#CCNC(=O)NCCCCC 273464a_100000212058_100000209983 [0,2,0,0,0,0|1,0,1]=4 11087 B11R0.81 C#CCNC(=O)NCCCCC 512a_100000209983_100000212058 [0,2,0,0,0,0|1,0,1]=4 11088 B11R0.81 C#CCNC(=O)NCCCCC 512a_100000212058_100000209983 [0,2,0,0,0,0|1,0,1]=4 11089 B11R0.81 C/C=C/CC(=O)C/C=C/CCC 1458a_200016266809_100102629194 [0,2,0,0,0,0|0,0,2]=4 11090 B11R0.81 C/C=C/CC(=O)C=CCCCC 1458a_100016266645_100102629194 [0,2,0,0,0,0|0,0,2]=4 11091 B11R0.81 C/C=C/CC(=O)CCCCCC 1458a_100102632555_100102629194 [0,2,0,0,0,0|0,0,0]=2 11092 B11R0.81 C/C=C/CC(=O)CCCCCO 1458a_100102619762_100102629194 [0,2,0,0,0,0|1,0,0]=3 11093 B11R0.81 C/C=C/CC(=O)CCOCCO 1458a_100011229844_100102629194 [0,2,0,0,0,0|2,0,0]=4 11094 B11R0.81 C/C=C/CC(=O)COCCCC 1458a_100000757543_100102629194 [0,2,0,0,0,0|1,0,0]=3 11095 B11R0.81 C/C=C/CC(=O)COCCOC 1458a_100000211095_100102629194 [0,2,0,0,0,0|2,0,0]=4 11096 B11R0.81 C/C=C/CC(=O)CSCCCC 1458a_100000191162_100102629194 [0,2,0,0,0,0|1,0,0]=3 11097 B11R0.81 C/C=C/CN(C)CCCCCC 269982a_106256046315_100102629194 [0,2,0,0,0,0|2,0,0]=4 11098 B11R0.81 C=C(COCCCC)OCOC 34a_100000210227_100000042856 [0,2,0,0,0,0|2,0,0]=4 11099 B11R0.81 C=C(CSCCCC)OCOC 62a_100000042856_100000210210 [0,2,0,0,0,0|2,0,0]=4 11100 B11R0.81 C=C(CSCCCC)OCOC 62a_100000210211_100000042856 [0,2,0,0,0,0|2,0,0]=4 11101 B11R0.81 C=CC=CC(=O)CCCCCC 1458a_100016291481_100000210757 [0,2,0,0,0,0|0,0,2]=4 11102 B11R0.81 C=CCCC(=O)C/C=C/CCC 1458a_200016266809_100000754431 [0,2,0,0,0,0|0,0,2]=4 11103 B11R0.81 C=CCCC(=O)C=CCCCC 1458a_100016266645_100000754431 [0,2,0,0,0,0|0,0,2]=4 11104 B11R0.81 C=CCCC(=O)CC/C=C\CC 1458a_100000749702_100015370543 [0,2,0,0,0,0|0,0,2]=4 11105 B11R0.81 C=CCCC(=O)CCCCC#N 1458a_100000749702_100000211819 [0,2,0,0,0,0|1,0,1]=4 11106 B11R0.81 C=CCCC(=O)CCCCCC 1458a_100000749702_100000210757 [0,2,0,0,0,0|0,0,0]=2 11107 B11R0.81 C=CCCC(=O)CCCCCC 1458a_100102632555_100000754431 [0,2,0,0,0,0|0,0,0]=2 11108 B11R0.81 C=CCCC(=O)CCCCCF 1458a_100000749702_100000729378 [0,2,0,0,0,0|1,0,0]=3 11109 B11R0.81 C=CCCC(=O)CCCCCO 1458a_100000749702_100000746330 [0,2,0,0,0,0|1,0,0]=3 11110 B11R0.81 C=CCCC(=O)CCCCCO 1458a_100102619762_100000754431 [0,2,0,0,0,0|1,0,0]=3 11111 B11R0.81 C=CCCC(=O)CCCCOC 1458a_100000749702_100000755781 [0,2,0,0,0,0|1,0,0]=3 11112 B11R0.81 C=CCCC(=O)CCCOCC 1458a_100000749702_100012232248 [0,2,0,0,0,0|1,0,0]=3 11113 B11R0.81 C=CCCC(=O)CCOCCC 1458a_100000749702_100011215938 [0,2,0,0,0,0|1,0,0]=3 11114 B11R0.81 C=CCCC(=O)CCOCCO 1458a_100000749702_100011215305 [0,2,0,0,0,0|2,0,0]=4 11115 B11R0.81 C=CCCC(=O)CCOCCO 1458a_100011229844_100000754431 [0,2,0,0,0,0|2,0,0]=4 11116 B11R0.81 C=CCCC(=O)COCCCC 1458a_100000749702_100011995733 [0,2,0,0,0,0|1,0,0]=3 11117 B11R0.81 C=CCCC(=O)COCCCC 1458a_100000757543_100000754431 [0,2,0,0,0,0|1,0,0]=3 11118 B11R0.81 C=CCCC(=O)COCCOC 1458a_100000211095_100000754431 [0,2,0,0,0,0|2,0,0]=4 11119 B11R0.81 C=CCCC(=O)CSCCCC 1458a_100000191162_100000754431 [0,2,0,0,0,0|1,0,0]=3 11120 B11R0.81 C=CCCC(=O)NCCCCC 11a_100000209983_100000749702 [0,2,0,0,0,0|1,0,0]=3 11121 B11R0.81 C=CCCC(=O)NCCCCC 1626a_100000209983_100000749702 [0,2,0,0,0,0|1,0,0]=3 11122 B11R0.81 C=CCCC(=O)NCCCCC 240690a_100000209983_100000749702 [0,2,0,0,0,0|1,0,0]=3 11123 B11R0.81 C=CCCC(=O)NCCCCC 527a_100000209983_100000749702 [0,2,0,0,0,0|1,0,0]=3 11124 B11R0.81 C=CCCC(=O)NCCCCO 240690a_100000750430_100000749702 [0,2,0,0,0,0|2,0,0]=4 11125 B11R0.81 C=CCCC(=O)NCCCCO 527a_100000750430_100000749702 [0,2,0,0,0,0|2,0,0]=4 11126 B11R0.81 C=CCCC(=O)NCCCOC 1626a_100150723488_100000749702 [0,2,0,0,0,0|2,0,0]=4 11127 B11R0.81 C=CCCC(=O)NCCCOC 240690a_100150723488_100000749702 [0,2,0,0,0,0|2,0,0]=4 11128 B11R0.81 C=CCCC(=O)NCCCOC 527a_100150723488_100000749702 [0,2,0,0,0,0|2,0,0]=4 11129 B11R0.81 C=CCCC(=O)NCCCSC 11a_100000749238_100000749702 [0,2,0,0,0,0|2,0,0]=4 11130 B11R0.81 C=CCCC(=O)NCCCSC 1626a_100000749238_100000749702 [0,2,0,0,0,0|2,0,0]=4 11131 B11R0.81 C=CCCC(=O)NCCCSC 240690a_100000749238_100000749702 [0,2,0,0,0,0|2,0,0]=4 11132 B11R0.81 C=CCCC(=O)NCCCSC 527a_100000749238_100000749702 [0,2,0,0,0,0|2,0,0]=4 11133 B11R0.81 C=CCCC(=O)NCCOCC 11a_100011200944_100000749702 [0,2,0,0,0,0|2,0,0]=4 11134 B11R0.81 C=CCCC(=O)NCCOCC 1626a_102516460346_100000749702 [0,2,0,0,0,0|2,0,0]=4 11135 B11R0.81 C=CCCC(=O)NCCOCC 240690a_100011200944_100000749702 [0,2,0,0,0,0|2,0,0]=4 11136 B11R0.81 C=CCCC(=O)NCCOCC 527a_100011200944_100000749702 [0,2,0,0,0,0|2,0,0]=4 11137 B11R0.81 C=CCCC(=O)NCCSCC 11a_100000106463_100000749702 [0,2,0,0,0,0|2,0,0]=4 11138 B11R0.81 C=CCCC(=O)NCCSCC 1626a_100000106463_100000749702 [0,2,0,0,0,0|2,0,0]=4 11139 B11R0.81 C=CCCC(=O)NCCSCC 240690a_100000106463_100000749702 [0,2,0,0,0,0|2,0,0]=4 11140 B11R0.81 C=CCCC(=O)NCCSCC 527a_100000106463_100000749702 [0,2,0,0,0,0|2,0,0]=4 11141 B11R0.81 C=CCCC(=O)NNCCCC 22a_100025702795_100000749702 [0,2,0,0,0,0|2,0,0]=4 11142 B11R0.81 C=CCCCCC(=O)C#CCC 1458a_100011827653_100011215482 [0,2,0,0,0,0|0,0,2]=4 11143 B11R0.81 C=CCCCCC(=O)C/C=C/C 1458a_100011215552_100102629194 [0,2,0,0,0,0|0,0,2]=4 11144 B11R0.81 C=CCCCCC(=O)C=CCC 1458a_100000212282_100011215482 [0,2,0,0,0,0|0,0,2]=4 11145 B11R0.81 C=CCCCCC(=O)CC#CC 1458a_100011215552_100000748600 [0,2,0,0,0,0|0,0,2]=4 11146 B11R0.81 C=CCCCCC(=O)CC=CC 1458a_100011215552_100000070051 [0,2,0,0,0,0|0,0,2]=4 11147 B11R0.81 C=CCCCCC(=O)CC=CC 1458a_100121576822_100011215482 [0,2,0,0,0,0|0,0,2]=4 11148 B11R0.81 C=CCCCCC(=O)CCC#N 1458a_100011215552_100011215226 [0,2,0,0,0,0|0,0,2]=4 11149 B11R0.81 C=CCCCCC(=O)CCC#N 1458a_100011934036_100011215482 [0,2,0,0,0,0|0,0,2]=4 11150 B11R0.81 C=CCCCCC(=O)CCC=C 1458a_100000749702_100011215482 [0,2,0,0,0,0|0,0,2]=4 11151 B11R0.81 C=CCCCCC(=O)CCC=C 1458a_100011215552_100000754431 [0,2,0,0,0,0|0,0,2]=4 11152 B11R0.81 C=CCCCCC(=O)CCCC 1458a_100000210183_100011215482 [0,2,0,0,0,0|0,0,2]=4 11153 B11R0.81 C=CCCCCC(=O)CCCC 1458a_100011215552_100000210211 [0,2,0,0,0,0|0,0,2]=4 11154 B11R0.81 C=CCCCCC(=O)CCCF 1458a_100011215552_100011934791 [0,2,0,0,0,0|0,0,2]=4 11155 B11R0.81 C=CCCCCC(=O)CCCO 1458a_100011215552_100011215043 [0,2,0,0,0,0|0,0,2]=4 11156 B11R0.81 C=CCCCCC(=O)CCOC 1458a_100000749529_100011215482 [0,2,0,0,0,0|0,0,2]=4 11157 B11R0.81 C=CCCCCC(=O)CCOC 1458a_100011215552_100000233755 [0,2,0,0,0,0|0,0,2]=4 11158 B11R0.81 C=CCCCCC(=O)CCSC 1458a_100000174002_100011215482 [0,2,0,0,0,0|0,0,2]=4 11159 B11R0.81 C=CCCCCC(=O)CCSC 1458a_100011215552_100000751147 [0,2,0,0,0,0|0,0,2]=4 11160 B11R0.81 C=CCCCCC(=O)COCC 1458a_100000211967_100011215482 [0,2,0,0,0,0|0,0,2]=4 11161 B11R0.81 C=CCCCCC(=O)CSCC 1458a_100000230394_100011215482 [0,2,0,0,0,0|0,0,2]=4 11162 B11R0.81 C=CCCCCC(=O)NCCC 11a_100020643023_100011215552 [0,2,0,0,0,0|0,0,2]=4 11163 B11R0.81 C=CCCCCC(=O)NCCC 1626a_100020643023_100011215552 [0,2,0,0,0,0|0,0,2]=4 11164 B11R0.81 C=CCCCCC(=O)NCCC 240690a_100020643023_100011215552 [0,2,0,0,0,0|0,0,2]=4 11165 B11R0.81 C=CCCCCC(=O)NCCC 527a_100020643023_100011215552 [0,2,0,0,0,0|0,0,2]=4 11166 B11R0.81 C=CCCCCC(=O)NCCF 11a_100000724931_100011215552 [0,2,0,0,0,0|0,0,2]=4 11167 B11R0.81 C=CCCCCC(=O)NCCF 1626a_100000724931_100011215552 [0,2,0,0,0,0|0,0,2]=4 11168 B11R0.81 C=CCCCCC(=O)NCCF 240690a_100000724931_100011215552 [0,2,0,0,0,0|0,0,2]=4 11169 B11R0.81 C=CCCCCC(=O)NCCF 527a_100000724931_100011215552 [0,2,0,0,0,0|0,0,2]=4 11170 B11R0.81 C=CCCCCC(=O)NCCO 240690a_100000210304_100011215552 [0,2,0,0,0,0|0,0,2]=4 11171 B11R0.81 C=CCCCCC(=O)NCCO 527a_100000210304_100011215552 [0,2,0,0,0,0|0,0,2]=4 11172 B11R0.81 C=CCCCCC(=O)NNCC 22a_100000756455_100011215552 [0,2,0,0,0,0|0,0,2]=4 11173 B11R0.81 C=CCCN(C)CCCCCC 2230a_100020639649_100000210314 [0,2,0,0,0,0|2,0,0]=4 11174 B11R0.81 C=CCCN(C)CCCCCC 2230a_106256046315_100000754431 [0,2,0,0,0,0|2,0,0]=4 11175 B11R0.81 C=CCCN(C)CCCCCC 269982a_100020639649_100000210757 [0,2,0,0,0,0|2,0,0]=4 11176 B11R0.81 C=CCCN(C)CCCCCC 269982a_106256046315_100000754431 [0,2,0,0,0,0|2,0,0]=4 11177 B11R0.81 C=CCNC(=O)CCCCCC 1626a_100020586998_100102632555 [0,2,0,0,0,0|0,0,1]=3 11178 B11R0.81 C=CCNC(=O)CCCCCC 240690a_100020586998_100102632555 [0,2,0,0,0,0|0,0,1]=3 11179 B11R0.81 C=CCNC(=O)CCCCCC 527a_100020586998_100102632555 [0,2,0,0,0,0|0,0,1]=3 11180 B11R0.81 C=CCNC(=O)CCCCCO 240690a_100020586998_100102619762 [0,2,0,0,0,0|1,0,1]=4 11181 B11R0.81 C=CCNC(=O)CCSCCC 62a_100000210303_100011222895 [0,2,0,0,0,0|1,0,1]=4 11182 B11R0.81 C=CCNC(=O)CCSCCC 62a_100011222895_100000210303 [0,2,0,0,0,0|1,0,1]=4 11183 B11R0.81 C=CCNC(=O)CNCCCC 2230a_100000102301_100000183597 [0,2,0,0,0,0|1,0,1]=4 11184 B11R0.81 C=CCNC(=O)CNCCCC 7a_106832991798_100000183597 [0,2,0,0,0,0|1,0,1]=4 11185 B11R0.81 C=CCNC(=O)COCCCC 1626a_100020586998_100000757543 [0,2,0,0,0,0|1,0,1]=4 11186 B11R0.81 C=CCNC(=O)COCCCC 240690a_100020586998_100000757543 [0,2,0,0,0,0|1,0,1]=4 11187 B11R0.81 C=CCNC(=O)COCCCC 527a_100020586998_100000757543 [0,2,0,0,0,0|1,0,1]=4 11188 B11R0.81 C=CCNC(=O)COCCCC 7a_100000210227_100000183597 [0,2,0,0,0,0|1,0,1]=4 11189 B11R0.81 C=CCNC(=O)CSCCCC 1626a_100020586998_100000191162 [0,2,0,0,0,0|1,0,1]=4 11190 B11R0.81 C=CCNC(=O)CSCCCC 240690a_100020586998_100000191162 [0,2,0,0,0,0|1,0,1]=4 11191 B11R0.81 C=CCNC(=O)CSCCCC 527a_100020586998_100000191162 [0,2,0,0,0,0|1,0,1]=4 11192 B11R0.81 C=CCNC(=O)CSCCCC 62a_100000183597_100000210210 [0,2,0,0,0,0|1,0,1]=4 11193 B11R0.81 C=CCNC(=O)CSCCCC 62a_100000210211_100000183597 [0,2,0,0,0,0|1,0,1]=4 11194 B11R0.81 C=CCNC(=O)NCCCCC 2708a_100000209983_100020586998 [0,2,0,0,0,0|1,0,1]=4 11195 B11R0.81 C=CCNC(=O)NCCCCC 273464a_100000209983_100020586998 [0,2,0,0,0,0|1,0,1]=4 11196 B11R0.81 C=CCNC(=O)NCCCCC 273464a_100020586998_100000209983 [0,2,0,0,0,0|1,0,1]=4 11197 B11R0.81 C=CCNC(=O)NCCCCC 512a_100000209983_100020586998 [0,2,0,0,0,0|1,0,1]=4 11198 B11R0.81 C=CCNC(=O)NCCCCC 512a_100020586998_100000209983 [0,2,0,0,0,0|1,0,1]=4 11199 B11R0.81 C=CCOC(=O)CNCCCC 2230a_100000102301_100000033060 [0,2,0,0,0,0|1,0,1]=4 11200 B11R0.81 C=CCOC(=O)CNCCCC 7a_106832991798_100000033060 [0,2,0,0,0,0|1,0,1]=4 11201 B11R0.81 C=CCOC(=O)COCCCC 34a_100000210227_100000033060 [0,2,0,0,0,0|1,0,1]=4 11202 B11R0.81 C=CCOC(=O)COCCCC 7a_100000210227_100000033060 [0,2,0,0,0,0|1,0,1]=4 11203 B11R0.81 C=CCOC(=O)CSCCCC 62a_100000033060_100000210210 [0,2,0,0,0,0|1,0,1]=4 11204 B11R0.81 C=CCOC(=O)CSCCCC 62a_100000210211_100000033060 [0,2,0,0,0,0|1,0,1]=4 11205 B11R0.81 CC#CCC(=O)C/C=C/CCC 1458a_200016266809_100000748600 [0,2,0,0,0,0|0,0,2]=4 11206 B11R0.81 CC#CCC(=O)C=CCCCC 1458a_100016266645_100000748600 [0,2,0,0,0,0|0,0,2]=4 11207 B11R0.81 CC#CCC(=O)CCCCCC 1458a_100102632555_100000748600 [0,2,0,0,0,0|0,0,0]=2 11208 B11R0.81 CC#CCC(=O)CCCCCO 1458a_100102619762_100000748600 [0,2,0,0,0,0|1,0,0]=3 11209 B11R0.81 CC#CCC(=O)CCOCCO 1458a_100011229844_100000748600 [0,2,0,0,0,0|2,0,0]=4 11210 B11R0.81 CC#CCC(=O)COCCCC 1458a_100000757543_100000748600 [0,2,0,0,0,0|1,0,0]=3 11211 B11R0.81 CC#CCC(=O)COCCOC 1458a_100000211095_100000748600 [0,2,0,0,0,0|2,0,0]=4 11212 B11R0.81 CC#CCC(=O)CSCCCC 1458a_100000191162_100000748600 [0,2,0,0,0,0|1,0,0]=3 11213 B11R0.81 CC#CCN(C)CCCCCC 2230a_106256046315_100000748600 [0,2,0,0,0,0|2,0,0]=4 11214 B11R0.81 CC/C=C\CCC(=O)CCC#N 1458a_100011934036_100015370543 [0,2,0,0,0,0|0,0,2]=4 11215 B11R0.81 CC/C=C\CCC(=O)CCCC 1458a_100000210183_100015370543 [0,2,0,0,0,0|0,0,2]=4 11216 B11R0.81 CC/C=C\CCC(=O)CCOC 1458a_100000749529_100015370543 [0,2,0,0,0,0|0,0,2]=4 11217 B11R0.81 CC/C=C\CCC(=O)CCSC 1458a_100000174002_100015370543 [0,2,0,0,0,0|0,0,2]=4 11218 B11R0.81 CC/C=C\CCC(=O)COCC 1458a_100000211967_100015370543 [0,2,0,0,0,0|0,0,2]=4 11219 B11R0.81 CC/C=C\CCC(=O)CSCC 1458a_100000230394_100015370543 [0,2,0,0,0,0|0,0,2]=4 11220 B11R0.81 CC=CCC(=O)C/C=C/CCC 1458a_200016266809_100000070051 [0,2,0,0,0,0|0,0,2]=4 11221 B11R0.81 CC=CCC(=O)C=CCCCC 1458a_100016266645_100000070051 [0,2,0,0,0,0|0,0,2]=4 11222 B11R0.81 CC=CCC(=O)CC/C=C\CC 1458a_100121576822_100015370543 [0,2,0,0,0,0|0,0,2]=4 11223 B11R0.81 CC=CCC(=O)CCCCC#N 1458a_100121576822_100000211819 [0,2,0,0,0,0|1,0,1]=4 11224 B11R0.81 CC=CCC(=O)CCCCCC 1458a_100102632555_100000070051 [0,2,0,0,0,0|0,0,0]=2 11225 B11R0.81 CC=CCC(=O)CCCCCC 1458a_100121576822_100000210757 [0,2,0,0,0,0|0,0,0]=2 11226 B11R0.81 CC=CCC(=O)CCCCCF 1458a_100121576822_100000729378 [0,2,0,0,0,0|1,0,0]=3 11227 B11R0.81 CC=CCC(=O)CCCCCO 1458a_100102619762_100000070051 [0,2,0,0,0,0|1,0,0]=3 11228 B11R0.81 CC=CCC(=O)CCCCCO 1458a_100121576822_100000746330 [0,2,0,0,0,0|1,0,0]=3 11229 B11R0.81 CC=CCC(=O)CCCCOC 1458a_100121576822_100000755781 [0,2,0,0,0,0|1,0,0]=3 11230 B11R0.81 CC=CCC(=O)CCCOCC 1458a_100121576822_100012232248 [0,2,0,0,0,0|1,0,0]=3 11231 B11R0.81 CC=CCC(=O)CCOCCC 1458a_100121576822_100011215938 [0,2,0,0,0,0|1,0,0]=3 11232 B11R0.81 CC=CCC(=O)CCOCCO 1458a_100011229844_100000070051 [0,2,0,0,0,0|2,0,0]=4 11233 B11R0.81 CC=CCC(=O)CCOCCO 1458a_100121576822_100011215305 [0,2,0,0,0,0|2,0,0]=4 11234 B11R0.81 CC=CCC(=O)COCCCC 1458a_100000757543_100000070051 [0,2,0,0,0,0|1,0,0]=3 11235 B11R0.81 CC=CCC(=O)COCCCC 1458a_100121576822_100011995733 [0,2,0,0,0,0|1,0,0]=3 11236 B11R0.81 CC=CCC(=O)COCCOC 1458a_100000211095_100000070051 [0,2,0,0,0,0|2,0,0]=4 11237 B11R0.81 CC=CCC(=O)CSCCCC 1458a_100000191162_100000070051 [0,2,0,0,0,0|1,0,0]=3 11238 B11R0.81 CC=CCC(=O)NCCCCC 11a_100000209983_100121576822 [0,2,0,0,0,0|1,0,0]=3 11239 B11R0.81 CC=CCC(=O)NCCCCC 1626a_100000209983_100121576822 [0,2,0,0,0,0|1,0,0]=3 11240 B11R0.81 CC=CCC(=O)NCCCCC 240690a_100000209983_100121576822 [0,2,0,0,0,0|1,0,0]=3 11241 B11R0.81 CC=CCC(=O)NCCCCC 527a_100000209983_100121576822 [0,2,0,0,0,0|1,0,0]=3 11242 B11R0.81 CC=CCC(=O)NCCCCO 240690a_100000750430_100121576822 [0,2,0,0,0,0|2,0,0]=4 11243 B11R0.81 CC=CCC(=O)NCCCCO 527a_100000750430_100121576822 [0,2,0,0,0,0|2,0,0]=4 11244 B11R0.81 CC=CCC(=O)NCCCOC 1626a_100150723488_100121576822 [0,2,0,0,0,0|2,0,0]=4 11245 B11R0.81 CC=CCC(=O)NCCCOC 240690a_100150723488_100121576822 [0,2,0,0,0,0|2,0,0]=4 11246 B11R0.81 CC=CCC(=O)NCCCOC 527a_100150723488_100121576822 [0,2,0,0,0,0|2,0,0]=4 11247 B11R0.81 CC=CCC(=O)NCCCSC 11a_100000749238_100121576822 [0,2,0,0,0,0|2,0,0]=4 11248 B11R0.81 CC=CCC(=O)NCCCSC 1626a_100000749238_100121576822 [0,2,0,0,0,0|2,0,0]=4 11249 B11R0.81 CC=CCC(=O)NCCCSC 240690a_100000749238_100121576822 [0,2,0,0,0,0|2,0,0]=4 11250 B11R0.81 CC=CCC(=O)NCCCSC 527a_100000749238_100121576822 [0,2,0,0,0,0|2,0,0]=4 11251 B11R0.81 CC=CCC(=O)NCCOCC 11a_100011200944_100121576822 [0,2,0,0,0,0|2,0,0]=4 11252 B11R0.81 CC=CCC(=O)NCCOCC 1626a_102516460346_100121576822 [0,2,0,0,0,0|2,0,0]=4 11253 B11R0.81 CC=CCC(=O)NCCOCC 240690a_100011200944_100121576822 [0,2,0,0,0,0|2,0,0]=4 11254 B11R0.81 CC=CCC(=O)NCCOCC 527a_100011200944_100121576822 [0,2,0,0,0,0|2,0,0]=4 11255 B11R0.81 CC=CCC(=O)NCCSCC 11a_100000106463_100121576822 [0,2,0,0,0,0|2,0,0]=4 11256 B11R0.81 CC=CCC(=O)NCCSCC 1626a_100000106463_100121576822 [0,2,0,0,0,0|2,0,0]=4 11257 B11R0.81 CC=CCC(=O)NCCSCC 240690a_100000106463_100121576822 [0,2,0,0,0,0|2,0,0]=4 11258 B11R0.81 CC=CCC(=O)NCCSCC 527a_100000106463_100121576822 [0,2,0,0,0,0|2,0,0]=4 11259 B11R0.81 CC=CCC(=O)NNCCCC 22a_100025702795_100121576822 [0,2,0,0,0,0|2,0,0]=4 11260 B11R0.81 CC=CCN(C)CCCCCC 2230a_106256046315_100000070051 [0,2,0,0,0,0|2,0,0]=4 11261 B11R0.81 CC=NNC(=O)CCCCCC 4a_100011221127_200000210099 [0,2,0,0,0,0|0,0,1]=3 11262 B11R0.81 CCC#CC(=O)CC/C=C\CC 1458a_100011827653_100015370543 [0,2,0,0,0,0|0,0,2]=4 11263 B11R0.81 CCC#CC(=O)CCCCC#N 1458a_100011827653_100000211819 [0,2,0,0,0,0|1,0,1]=4 11264 B11R0.81 CCC#CC(=O)CCCCCC 1458a_100011827653_100000210757 [0,2,0,0,0,0|0,0,0]=2 11265 B11R0.81 CCC#CC(=O)CCCCCF 1458a_100011827653_100000729378 [0,2,0,0,0,0|1,0,0]=3 11266 B11R0.81 CCC#CC(=O)CCCCCO 1458a_100011827653_100000746330 [0,2,0,0,0,0|1,0,0]=3 11267 B11R0.81 CCC#CC(=O)CCCCOC 1458a_100011827653_100000755781 [0,2,0,0,0,0|1,0,0]=3 11268 B11R0.81 CCC#CC(=O)CCCOCC 1458a_100011827653_100012232248 [0,2,0,0,0,0|1,0,0]=3 11269 B11R0.81 CCC#CC(=O)CCOCCC 1458a_100011827653_100011215938 [0,2,0,0,0,0|1,0,0]=3 11270 B11R0.81 CCC#CC(=O)CCOCCO 1458a_100011827653_100011215305 [0,2,0,0,0,0|2,0,0]=4 11271 B11R0.81 CCC#CC(=O)COCCCC 1458a_100011827653_100011995733 [0,2,0,0,0,0|1,0,0]=3 11272 B11R0.81 CCC#CC(=O)NNCCCC 22a_100025702795_100011827653 [0,2,0,0,0,0|2,0,0]=4 11273 B11R0.81 CCC/C=C/CC(=O)CCC#N 1458a_200016266809_100011215226 [0,2,0,0,0,0|0,0,2]=4 11274 B11R0.81 CCC/C=C/CC(=O)CCCC 1458a_200016266809_100000210211 [0,2,0,0,0,0|0,0,2]=4 11275 B11R0.81 CCC/C=C/CC(=O)CCCF 1458a_200016266809_100011934791 [0,2,0,0,0,0|0,0,2]=4 11276 B11R0.81 CCC/C=C/CC(=O)CCCO 1458a_200016266809_100011215043 [0,2,0,0,0,0|0,0,2]=4 11277 B11R0.81 CCC/C=C/CC(=O)CCOC 1458a_200016266809_100000233755 [0,2,0,0,0,0|0,0,2]=4 11278 B11R0.81 CCC/C=C/CC(=O)CCSC 1458a_200016266809_100000751147 [0,2,0,0,0,0|0,0,2]=4 11279 B11R0.81 CCC/C=C/CC(=O)NCCC 11a_100020643023_200016266809 [0,2,0,0,0,0|0,0,2]=4 11280 B11R0.81 CCC/C=C/CC(=O)NCCC 1626a_100020643023_200016266809 [0,2,0,0,0,0|0,0,2]=4 11281 B11R0.81 CCC/C=C/CC(=O)NCCC 240690a_100020643023_200016266809 [0,2,0,0,0,0|0,0,2]=4 11282 B11R0.81 CCC/C=C/CC(=O)NCCC 527a_100020643023_200016266809 [0,2,0,0,0,0|0,0,2]=4 11283 B11R0.81 CCC/C=C/CC(=O)NCCF 11a_100000724931_200016266809 [0,2,0,0,0,0|0,0,2]=4 11284 B11R0.81 CCC/C=C/CC(=O)NCCF 1626a_100000724931_200016266809 [0,2,0,0,0,0|0,0,2]=4 11285 B11R0.81 CCC/C=C/CC(=O)NCCF 240690a_100000724931_200016266809 [0,2,0,0,0,0|0,0,2]=4 11286 B11R0.81 CCC/C=C/CC(=O)NCCF 527a_100000724931_200016266809 [0,2,0,0,0,0|0,0,2]=4 11287 B11R0.81 CCC/C=C/CC(=O)NCCO 240690a_100000210304_200016266809 [0,2,0,0,0,0|0,0,2]=4 11288 B11R0.81 CCC/C=C/CC(=O)NCCO 527a_100000210304_200016266809 [0,2,0,0,0,0|0,0,2]=4 11289 B11R0.81 CCC/C=C/CC(=O)NNCC 22a_100000756455_200016266809 [0,2,0,0,0,0|0,0,2]=4 11290 B11R0.81 CCC=CC(=O)CC/C=C\CC 1458a_100000212282_100015370543 [0,2,0,0,0,0|0,0,2]=4 11291 B11R0.81 CCC=CC(=O)CCCCC#N 1458a_100000212282_100000211819 [0,2,0,0,0,0|1,0,1]=4 11292 B11R0.81 CCC=CC(=O)CCCCCC 1458a_100000212282_100000210757 [0,2,0,0,0,0|0,0,0]=2 11293 B11R0.81 CCC=CC(=O)CCCCCF 1458a_100000212282_100000729378 [0,2,0,0,0,0|1,0,0]=3 11294 B11R0.81 CCC=CC(=O)CCCCCO 1458a_100000212282_100000746330 [0,2,0,0,0,0|1,0,0]=3 11295 B11R0.81 CCC=CC(=O)CCCCOC 1458a_100000212282_100000755781 [0,2,0,0,0,0|1,0,0]=3 11296 B11R0.81 CCC=CC(=O)CCCOCC 1458a_100000212282_100012232248 [0,2,0,0,0,0|1,0,0]=3 11297 B11R0.81 CCC=CC(=O)CCOCCC 1458a_100000212282_100011215938 [0,2,0,0,0,0|1,0,0]=3 11298 B11R0.81 CCC=CC(=O)CCOCCO 1458a_100000212282_100011215305 [0,2,0,0,0,0|2,0,0]=4 11299 B11R0.81 CCC=CC(=O)COCCCC 1458a_100000212282_100011995733 [0,2,0,0,0,0|1,0,0]=3 11300 B11R0.81 CCC=CC(=O)NCCCCC 11a_100000209983_100000212282 [0,2,0,0,0,0|1,0,0]=3 11301 B11R0.81 CCC=CC(=O)NCCCCC 1626a_100000209983_100000212282 [0,2,0,0,0,0|1,0,0]=3 11302 B11R0.81 CCC=CC(=O)NCCCCC 240690a_100000209983_100000212282 [0,2,0,0,0,0|1,0,0]=3 11303 B11R0.81 CCC=CC(=O)NCCCCO 240690a_100000750430_100000212282 [0,2,0,0,0,0|2,0,0]=4 11304 B11R0.81 CCC=CC(=O)NCCCOC 1626a_100150723488_100000212282 [0,2,0,0,0,0|2,0,0]=4 11305 B11R0.81 CCC=CC(=O)NCCCOC 240690a_100150723488_100000212282 [0,2,0,0,0,0|2,0,0]=4 11306 B11R0.81 CCC=CC(=O)NCCCSC 11a_100000749238_100000212282 [0,2,0,0,0,0|2,0,0]=4 11307 B11R0.81 CCC=CC(=O)NCCCSC 1626a_100000749238_100000212282 [0,2,0,0,0,0|2,0,0]=4 11308 B11R0.81 CCC=CC(=O)NCCCSC 240690a_100000749238_100000212282 [0,2,0,0,0,0|2,0,0]=4 11309 B11R0.81 CCC=CC(=O)NCCOCC 11a_100011200944_100000212282 [0,2,0,0,0,0|2,0,0]=4 11310 B11R0.81 CCC=CC(=O)NCCOCC 1626a_102516460346_100000212282 [0,2,0,0,0,0|2,0,0]=4 11311 B11R0.81 CCC=CC(=O)NCCOCC 240690a_100011200944_100000212282 [0,2,0,0,0,0|2,0,0]=4 11312 B11R0.81 CCC=CC(=O)NCCSCC 11a_100000106463_100000212282 [0,2,0,0,0,0|2,0,0]=4 11313 B11R0.81 CCC=CC(=O)NCCSCC 1626a_100000106463_100000212282 [0,2,0,0,0,0|2,0,0]=4 11314 B11R0.81 CCC=CC(=O)NCCSCC 240690a_100000106463_100000212282 [0,2,0,0,0,0|2,0,0]=4 11315 B11R0.81 CCC=CC(=O)NNCCCC 22a_100025702795_100000212282 [0,2,0,0,0,0|2,0,0]=4 11316 B11R0.81 CCCCC(=O)CCCCC#N 1458a_100000210183_100000211819 [0,2,0,0,0,0|1,0,1]=4 11317 B11R0.81 CCCCC(=O)CCCCCF 1458a_100000210183_100000729378 [0,2,0,0,0,0|1,0,0]=3 11318 B11R0.81 CCCCC(=O)CCCCCO 1458a_100000210183_100000746330 [0,2,0,0,0,0|1,0,0]=3 11319 B11R0.81 CCCCC(=O)CCCCCO 1458a_100102619762_100000210211 [0,2,0,0,0,0|1,0,0]=3 11320 B11R0.81 CCCCC(=O)CCCCOC 1458a_100000210183_100000755781 [0,2,0,0,0,0|1,0,0]=3 11321 B11R0.81 CCCCC(=O)CCCOCC 1458a_100000210183_100012232248 [0,2,0,0,0,0|1,0,0]=3 11322 B11R0.81 CCCCC(=O)CCOCCC 1458a_100000210183_100011215938 [0,2,0,0,0,0|1,0,0]=3 11323 B11R0.81 CCCCC(=O)CCOCCO 1458a_100000210183_100011215305 [0,2,0,0,0,0|2,0,0]=4 11324 B11R0.81 CCCCC(=O)CCOCCO 1458a_100011229844_100000210211 [0,2,0,0,0,0|2,0,0]=4 11325 B11R0.81 CCCCC(=O)COCCOC 1458a_100000211095_100000210211 [0,2,0,0,0,0|2,0,0]=4 11326 B11R0.81 CCCCC(=O)NCCCCO 240690a_100000750430_100000210183 [0,2,0,0,0,0|2,0,0]=4 11327 B11R0.81 CCCCC(=O)NCCCCO 527a_100000750430_100000210183 [0,2,0,0,0,0|2,0,0]=4 11328 B11R0.81 CCCCC(=O)NCCCOC 1626a_100150723488_100000210183 [0,2,0,0,0,0|2,0,0]=4 11329 B11R0.81 CCCCC(=O)NCCCOC 240690a_100150723488_100000210183 [0,2,0,0,0,0|2,0,0]=4 11330 B11R0.81 CCCCC(=O)NCCCOC 527a_100150723488_100000210183 [0,2,0,0,0,0|2,0,0]=4 11331 B11R0.81 CCCCC(=O)NCCCSC 11a_100000749238_100000210183 [0,2,0,0,0,0|2,0,0]=4 11332 B11R0.81 CCCCC(=O)NCCCSC 1626a_100000749238_100000210183 [0,2,0,0,0,0|2,0,0]=4 11333 B11R0.81 CCCCC(=O)NCCCSC 240690a_100000749238_100000210183 [0,2,0,0,0,0|2,0,0]=4 11334 B11R0.81 CCCCC(=O)NCCCSC 527a_100000749238_100000210183 [0,2,0,0,0,0|2,0,0]=4 11335 B11R0.81 CCCCC(=O)NCCOCC 11a_100011200944_100000210183 [0,2,0,0,0,0|2,0,0]=4 11336 B11R0.81 CCCCC(=O)NCCOCC 1626a_102516460346_100000210183 [0,2,0,0,0,0|2,0,0]=4 11337 B11R0.81 CCCCC(=O)NCCOCC 240690a_100011200944_100000210183 [0,2,0,0,0,0|2,0,0]=4 11338 B11R0.81 CCCCC(=O)NCCOCC 527a_100011200944_100000210183 [0,2,0,0,0,0|2,0,0]=4 11339 B11R0.81 CCCCC(=O)NCCSCC 11a_100000106463_100000210183 [0,2,0,0,0,0|2,0,0]=4 11340 B11R0.81 CCCCC(=O)NCCSCC 1626a_100000106463_100000210183 [0,2,0,0,0,0|2,0,0]=4 11341 B11R0.81 CCCCC(=O)NCCSCC 240690a_100000106463_100000210183 [0,2,0,0,0,0|2,0,0]=4 11342 B11R0.81 CCCCC(=O)NCCSCC 527a_100000106463_100000210183 [0,2,0,0,0,0|2,0,0]=4 11343 B11R0.81 CCCCC=CC(=O)CCC#N 1458a_100016266645_100011215226 [0,2,0,0,0,0|0,0,2]=4 11344 B11R0.81 CCCCC=CC(=O)CCCC 1458a_100016266645_100000210211 [0,2,0,0,0,0|0,0,2]=4 11345 B11R0.81 CCCCC=CC(=O)CCCF 1458a_100016266645_100011934791 [0,2,0,0,0,0|0,0,2]=4 11346 B11R0.81 CCCCC=CC(=O)CCCO 1458a_100016266645_100011215043 [0,2,0,0,0,0|0,0,2]=4 11347 B11R0.81 CCCCC=CC(=O)CCOC 1458a_100016266645_100000233755 [0,2,0,0,0,0|0,0,2]=4 11348 B11R0.81 CCCCC=CC(=O)CCSC 1458a_100016266645_100000751147 [0,2,0,0,0,0|0,0,2]=4 11349 B11R0.81 CCCCC=CC(=O)NCCC 11a_100020643023_100016266645 [0,2,0,0,0,0|0,0,2]=4 11350 B11R0.81 CCCCC=CC(=O)NCCC 1626a_100020643023_100016266645 [0,2,0,0,0,0|0,0,2]=4 11351 B11R0.81 CCCCC=CC(=O)NCCC 240690a_100020643023_100016266645 [0,2,0,0,0,0|0,0,2]=4 11352 B11R0.81 CCCCC=CC(=O)NCCF 11a_100000724931_100016266645 [0,2,0,0,0,0|0,0,2]=4 11353 B11R0.81 CCCCC=CC(=O)NCCF 1626a_100000724931_100016266645 [0,2,0,0,0,0|0,0,2]=4 11354 B11R0.81 CCCCC=CC(=O)NCCF 240690a_100000724931_100016266645 [0,2,0,0,0,0|0,0,2]=4 11355 B11R0.81 CCCCC=CC(=O)NCCO 240690a_100000210304_100016266645 [0,2,0,0,0,0|0,0,2]=4 11356 B11R0.81 CCCCC=CC(=O)NNCC 22a_100000756455_100016266645 [0,2,0,0,0,0|0,0,2]=4 11357 B11R0.81 CCCCCCC(=NNCC)C 4a_100000756455_100000210826 [0,2,0,0,0,0|1,0,0]=3 11358 B11R0.81 CCCCCCC(=O)C#CCO 1458a_100000049017_100000210757 [0,2,0,0,0,0|0,0,1]=3 11359 B11R0.81 CCCCCCC(=O)C=COC 1458a_100016268678_100000210757 [0,2,0,0,0,0|0,0,1]=3 11360 B11R0.81 CCCCCCC(=O)CCC#N 1458a_100011934036_100000210757 [0,2,0,0,0,0|0,0,0]=2 11361 B11R0.81 CCCCCCC(=O)CCC#N 1458a_100102632555_100011215226 [0,2,0,0,0,0|0,0,0]=2 11362 B11R0.81 CCCCCCC(=O)CCCC 1458a_100000210183_100000210757 [0,2,0,0,0,0|0,0,0]=2 11363 B11R0.81 CCCCCCC(=O)CCCC 1458a_100102632555_100000210211 [0,2,0,0,0,0|0,0,0]=2 11364 B11R0.81 CCCCCCC(=O)CCCF 1458a_100102632555_100011934791 [0,2,0,0,0,0|0,0,0]=2 11365 B11R0.81 CCCCCCC(=O)CCCO 1458a_100102632555_100011215043 [0,2,0,0,0,0|0,0,0]=2 11366 B11R0.81 CCCCCCC(=O)CCOC 1458a_100000749529_100000210757 [0,2,0,0,0,0|0,0,0]=2 11367 B11R0.81 CCCCCCC(=O)CCOC 1458a_100102632555_100000233755 [0,2,0,0,0,0|0,0,0]=2 11368 B11R0.81 CCCCCCC(=O)CCSC 1458a_100000174002_100000210757 [0,2,0,0,0,0|0,0,0]=2 11369 B11R0.81 CCCCCCC(=O)CCSC 1458a_100102632555_100000751147 [0,2,0,0,0,0|0,0,0]=2 11370 B11R0.81 CCCCCCC(=O)COCC 1458a_100000211967_100000210757 [0,2,0,0,0,0|0,0,0]=2 11371 B11R0.81 CCCCCCC(=O)CSCC 1458a_100000230394_100000210757 [0,2,0,0,0,0|0,0,0]=2 11372 B11R0.81 CCCCCCC(=O)NCC#N 1626a_100000734998_100102632555 [0,2,0,0,0,0|0,0,1]=3 11373 B11R0.81 CCCCCCC(=O)NCC#N 527a_100000734998_100102632555 [0,2,0,0,0,0|0,0,1]=3 11374 B11R0.81 CCCCCCC(=O)NCCC 11a_100020643023_100102632555 [0,2,0,0,0,0|0,0,0]=2 11375 B11R0.81 CCCCCCC(=O)NCCC 1626a_100020643023_100102632555 [0,2,0,0,0,0|0,0,0]=2 11376 B11R0.81 CCCCCCC(=O)NCCC 240690a_100020643023_100102632555 [0,2,0,0,0,0|0,0,0]=2 11377 B11R0.81 CCCCCCC(=O)NCCC 527a_100020643023_100102632555 [0,2,0,0,0,0|0,0,0]=2 11378 B11R0.81 CCCCCCC(=O)NCCF 11a_100000724931_100102632555 [0,2,0,0,0,0|0,0,0]=2 11379 B11R0.81 CCCCCCC(=O)NCCF 1626a_100000724931_100102632555 [0,2,0,0,0,0|0,0,0]=2 11380 B11R0.81 CCCCCCC(=O)NCCF 240690a_100000724931_100102632555 [0,2,0,0,0,0|0,0,0]=2 11381 B11R0.81 CCCCCCC(=O)NCCF 527a_100000724931_100102632555 [0,2,0,0,0,0|0,0,0]=2 11382 B11R0.81 CCCCCCC(=O)NCCO 240690a_100000210304_100102632555 [0,2,0,0,0,0|0,0,0]=2 11383 B11R0.81 CCCCCCC(=O)NCCO 527a_100000210304_100102632555 [0,2,0,0,0,0|0,0,0]=2 11384 B11R0.81 CCCCCCC(=O)NNCC 22a_100000756455_100102632555 [0,2,0,0,0,0|0,0,0]=2 11385 B11R0.81 CCCCCCC(C)CCOC 34a_200011024964_200000210301 [0,2,0,0,0,0|1,0,1]=4 11386 B11R0.81 CCCCCCC(C)CCOC 7a_200011024964_200000210301 [0,2,0,0,0,0|1,0,1]=4 11387 B11R0.81 CCCCCCC(C)CCO[13CH3] 34a_200011024964_200025704644 [0,2,0,0,0,0|1,0,1]=4 11388 B11R0.81 CCCCCCC(C)CCO[13CH3] 7a_200011024964_200025704644 [0,2,0,0,0,0|1,0,1]=4 11389 B11R0.81 CCCCCCC(C)NCCC 2230a_100000210919_100000210303 [0,2,0,0,0,0|1,0,1]=4 11390 B11R0.81 CCCCCCC(C)NCCC 270004a_100020643023_100000210826 [0,2,0,0,0,0|1,0,1]=4 11391 B11R0.81 CCCCCCC(C)NCCC 34a_100000210919_100000210303 [0,2,0,0,0,0|1,0,1]=4 11392 B11R0.81 CCCCCCC(C)NCCF 2230a_100000210919_100011217306 [0,2,0,0,0,0|1,0,1]=4 11393 B11R0.81 CCCCCCC(C)NCCF 34a_100000210919_100011217306 [0,2,0,0,0,0|1,0,1]=4 11394 B11R0.81 CCCCCCC(C)NCCF 34a_100000724931_100011215978 [0,2,0,0,0,0|1,0,1]=4 11395 B11R0.81 CCCCCCC(C)NCCO 2230a_100000210919_100000211926 [0,2,0,0,0,0|1,0,1]=4 11396 B11R0.81 CCCCCCC(C)NCCO 2230a_100016997473_100011215978 [0,2,0,0,0,0|1,0,1]=4 11397 B11R0.81 CCCCCCC(C)NCCO 270004a_100000210304_100000210826 [0,2,0,0,0,0|1,0,1]=4 11398 B11R0.81 CCCCCCC(C)NCCO 34a_100000210919_100000211926 [0,2,0,0,0,0|1,0,1]=4 11399 B11R0.81 CCCCCCC(C)NCCO 34a_100016990907_100011215978 [0,2,0,0,0,0|1,0,1]=4 11400 B11R0.81 CCCCCCC(C)NCOC 2230a_100000210919_100000766300 [0,2,0,0,0,0|1,0,1]=4 11401 B11R0.81 CCCCCCC(C)NCSC 2230a_100000210919_100011218213 [0,2,0,0,0,0|1,0,1]=4 11402 B11R0.81 CCCCCCC(C)NCSC 34a_100000210919_100011218213 [0,2,0,0,0,0|1,0,1]=4 11403 B11R0.81 CCCCCCC(C)OCCBr 34a_100000211926_100011215978 [0,2,0,0,0,0|1,0,1]=4 11404 B11R0.81 CCCCCCC(C)OCCC 34a_100000210258_100011215978 [0,2,0,0,0,0|1,0,1]=4 11405 B11R0.81 CCCCCCC(C)OCCC 34a_100000210265_100000210303 [0,2,0,0,0,0|1,0,1]=4 11406 B11R0.81 CCCCCCC(C)OCCC 7a_100000210265_100000210303 [0,2,0,0,0,0|1,0,1]=4 11407 B11R0.81 CCCCCCC(C)OCCF 34a_100000210265_100011217306 [0,2,0,0,0,0|1,0,1]=4 11408 B11R0.81 CCCCCCC(C)OCCF 7a_100000210265_100011217306 [0,2,0,0,0,0|1,0,1]=4 11409 B11R0.81 CCCCCCC(C)OCCN 34a_100000210304_100011215978 [0,2,0,0,0,0|1,0,1]=4 11410 B11R0.81 CCCCCCC(C)OCCO 34a_100000210265_100000211926 [0,2,0,0,0,0|1,0,1]=4 11411 B11R0.81 CCCCCCC(C)OCCO 7a_100000210265_100000211926 [0,2,0,0,0,0|1,0,1]=4 11412 B11R0.81 CCCCCCC(C)OCSC 34a_100000210265_100011218213 [0,2,0,0,0,0|1,0,1]=4 11413 B11R0.81 CCCCCCC(C)SCCC 62a_100000210303_100011215978 [0,2,0,0,0,0|1,0,1]=4 11414 B11R0.81 CCCCCCC(C)SCCC 62a_100011215978_100000210303 [0,2,0,0,0,0|1,0,1]=4 11415 B11R0.81 CCCCCCC(C)SCCF 62a_100011215978_100011217306 [0,2,0,0,0,0|1,0,1]=4 11416 B11R0.81 CCCCCCC(C)SCCF 62a_100011217306_100011215978 [0,2,0,0,0,0|1,0,1]=4 11417 B11R0.81 CCCCCCC(C)SCCO 62a_100000211926_100011215978 [0,2,0,0,0,0|1,0,1]=4 11418 B11R0.81 CCCCCCC(C)SCCO 62a_100011215978_100000211926 [0,2,0,0,0,0|1,0,1]=4 11419 B11R0.81 CCCCCCC(C)SCOC 62a_100000766300_100011215978 [0,2,0,0,0,0|1,0,1]=4 11420 B11R0.81 CCCCCCC(C)SCOC 62a_100011215978_100000766300 [0,2,0,0,0,0|1,0,1]=4 11421 B11R0.81 CCCCCCC(C)SCSC 62a_100011215978_100011218213 [0,2,0,0,0,0|1,0,1]=4 11422 B11R0.81 CCCCCCC(C)SCSC 62a_100011218213_100011215978 [0,2,0,0,0,0|1,0,1]=4 11423 B11R0.81 CCCCCCN(C)CCC#N 2230a_100000184479_100000210314 [0,2,0,0,0,0|2,0,0]=4 11424 B11R0.81 CCCCCCN(C)CCC#N 2230a_106256046315_100011215226 [0,2,0,0,0,0|2,0,0]=4 11425 B11R0.81 CCCCCCN(C)CCC#N 2230a_200000177771_200000210301 [0,2,0,0,0,0|2,0,0]=4 11426 B11R0.81 CCCCCCN(C)CCC#N 269982a_106256046315_100011215226 [0,2,0,0,0,0|2,0,0]=4 11427 B11R0.81 CCCCCCN(C)CCCC 2230a_100000207549_100000210314 [0,2,0,0,0,0|2,0,0]=4 11428 B11R0.81 CCCCCCN(C)CCCC 2230a_106256046315_100000210211 [0,2,0,0,0,0|2,0,0]=4 11429 B11R0.81 CCCCCCN(C)CCCC 2230a_200000207677_200000210301 [0,2,0,0,0,0|2,0,0]=4 11430 B11R0.81 CCCCCCN(C)CCCC 269982a_100000207549_100000210757 [0,2,0,0,0,0|2,0,0]=4 11431 B11R0.81 CCCCCCN(C)CCCC 269982a_106256046315_100000210211 [0,2,0,0,0,0|2,0,0]=4 11432 B11R0.81 CCCCCCN(C)CCCC 269982a_200000207677_200000210301 [0,2,0,0,0,0|2,0,0]=4 11433 B11R0.81 CCCCCCN(C)CCCF 2230a_106256046315_100011934791 [0,2,0,0,0,0|2,0,0]=4 11434 B11R0.81 CCCCCCN(C)CCCF 269982a_106256046315_100011934791 [0,2,0,0,0,0|2,0,0]=4 11435 B11R0.81 CCCCCCN(C)CCCO 2230a_100000213112_100000210314 [0,2,0,0,0,0|2,0,0]=4 11436 B11R0.81 CCCCCCN(C)CCCO 2230a_106256046315_100000230001 [0,2,0,0,0,0|2,0,0]=4 11437 B11R0.81 CCCCCCN(C)CCCO 269982a_100000213112_100000210757 [0,2,0,0,0,0|2,0,0]=4 11438 B11R0.81 CCCCCCN(C)CCCO 269982a_106256046315_100011215043 [0,2,0,0,0,0|2,0,0]=4 11439 B11R0.81 CCCCCCN(C)CCOC 2230a_100000743101_100000210314 [0,2,0,0,0,0|2,0,0]=4 11440 B11R0.81 CCCCCCN(C)CCOC 2230a_106256046315_100011201679 [0,2,0,0,0,0|2,0,0]=4 11441 B11R0.81 CCCCCCN(C)CCOC 269982a_100000743101_100000210757 [0,2,0,0,0,0|2,0,0]=4 11442 B11R0.81 CCCCCCN(C)CCOC 269982a_106256046315_100000233755 [0,2,0,0,0,0|2,0,0]=4 11443 B11R0.81 CCCCCCN(C)CCSC 2230a_100000686725_100000210314 [0,2,0,0,0,0|2,0,0]=4 11444 B11R0.81 CCCCCCN(C)CCSC 2230a_106256046315_100000751147 [0,2,0,0,0,0|2,0,0]=4 11445 B11R0.81 CCCCCCN(C)CCSC 269982a_100000686725_100000210757 [0,2,0,0,0,0|2,0,0]=4 11446 B11R0.81 CCCCCCN(C)CCSC 269982a_106256046315_100000212216 [0,2,0,0,0,0|2,0,0]=4 11447 B11R0.81 CCCCCCN(C)COCC 269982a_106256046315_100000739092 [0,2,0,0,0,0|2,0,0]=4 11448 B11R0.81 CCCCCCN([13CH3])CCC#N 2230a_200000177771_200025704644 [0,2,0,0,0,0|2,0,0]=4 11449 B11R0.81 CCCCCCN([13CH3])CCCC 2230a_200000207677_200025704644 [0,2,0,0,0,0|2,0,0]=4 11450 B11R0.81 CCCCCCN([13CH3])CCCC 269982a_200000207677_200025704644 [0,2,0,0,0,0|2,0,0]=4 11451 B11R0.81 CCCCCNC(=O)C=COC 1626a_100000209983_100016268678 [0,2,0,0,0,0|1,0,1]=4 11452 B11R0.81 CCCCCNC(=O)C=COC 240690a_100000209983_100016268678 [0,2,0,0,0,0|1,0,1]=4 11453 B11R0.81 CCCCCNC(=O)CCC#N 11a_100000209983_100011934036 [0,2,0,0,0,0|1,0,0]=3 11454 B11R0.81 CCCCCNC(=O)CCC#N 1626a_100000209983_100011934036 [0,2,0,0,0,0|1,0,0]=3 11455 B11R0.81 CCCCCNC(=O)CCC#N 240690a_100000209983_100011934036 [0,2,0,0,0,0|1,0,0]=3 11456 B11R0.81 CCCCCNC(=O)CCC#N 527a_100000209983_100011934036 [0,2,0,0,0,0|1,0,0]=3 11457 B11R0.81 CCCCCNC(=O)CCCC 11a_100000209983_100000210183 [0,2,0,0,0,0|1,0,0]=3 11458 B11R0.81 CCCCCNC(=O)CCCC 1626a_100000209983_100000210183 [0,2,0,0,0,0|1,0,0]=3 11459 B11R0.81 CCCCCNC(=O)CCCC 240690a_100000209983_100000210183 [0,2,0,0,0,0|1,0,0]=3 11460 B11R0.81 CCCCCNC(=O)CCCC 527a_100000209983_100000210183 [0,2,0,0,0,0|1,0,0]=3 11461 B11R0.81 CCCCCNC(=O)CCOC 11a_100000209983_100000749529 [0,2,0,0,0,0|1,0,0]=3 11462 B11R0.81 CCCCCNC(=O)CCOC 1626a_100000209983_100000749529 [0,2,0,0,0,0|1,0,0]=3 11463 B11R0.81 CCCCCNC(=O)CCOC 240690a_100000209983_100000749529 [0,2,0,0,0,0|1,0,0]=3 11464 B11R0.81 CCCCCNC(=O)CCOC 527a_100000209983_100000749529 [0,2,0,0,0,0|1,0,0]=3 11465 B11R0.81 CCCCCNC(=O)CCSC 11a_100000209983_100000174002 [0,2,0,0,0,0|1,0,0]=3 11466 B11R0.81 CCCCCNC(=O)CCSC 1626a_100000209983_100000174002 [0,2,0,0,0,0|1,0,0]=3 11467 B11R0.81 CCCCCNC(=O)CCSC 240690a_100000209983_100000174002 [0,2,0,0,0,0|1,0,0]=3 11468 B11R0.81 CCCCCNC(=O)CCSC 527a_100000209983_100000174002 [0,2,0,0,0,0|1,0,0]=3 11469 B11R0.81 CCCCCNC(=O)CN=[N+]=[N-] 11a_100000209983_100000751907 [0,2,0,0,0,0|2,0,0]=4 11470 B11R0.81 CCCCCNC(=O)CN=[N+]=[N-] 240690a_100000209983_100000751907 [0,2,0,0,0,0|2,0,0]=4 11471 B11R0.81 CCCCCNC(=O)CNCC 2230a_100015525214_100000230301 [0,2,0,0,0,0|1,0,0]=3 11472 B11R0.81 CCCCCNC(=O)COCC 11a_100000209983_100000211967 [0,2,0,0,0,0|1,0,0]=3 11473 B11R0.81 CCCCCNC(=O)COCC 1626a_100000209983_100000211967 [0,2,0,0,0,0|1,0,0]=3 11474 B11R0.81 CCCCCNC(=O)COCC 240690a_100000209983_100000211967 [0,2,0,0,0,0|1,0,0]=3 11475 B11R0.81 CCCCCNC(=O)COCC 34a_100121572206_100000230301 [0,2,0,0,0,0|1,0,0]=3 11476 B11R0.81 CCCCCNC(=O)COCC 527a_100000209983_100000211967 [0,2,0,0,0,0|1,0,0]=3 11477 B11R0.81 CCCCCNC(=O)CSCC 11a_100000209983_100000230394 [0,2,0,0,0,0|1,0,0]=3 11478 B11R0.81 CCCCCNC(=O)CSCC 1626a_100000209983_100000230394 [0,2,0,0,0,0|1,0,0]=3 11479 B11R0.81 CCCCCNC(=O)CSCC 240690a_100000209983_100000230394 [0,2,0,0,0,0|1,0,0]=3 11480 B11R0.81 CCCCCNC(=O)CSCC 527a_100000209983_100000230394 [0,2,0,0,0,0|1,0,0]=3 11481 B11R0.81 CCCCCNC(=O)CSCC 62a_100000210202_100000230301 [0,2,0,0,0,0|1,0,0]=3 11482 B11R0.81 CCCCCNC(=O)CSCC 62a_100000230301_100000210202 [0,2,0,0,0,0|1,0,0]=3 11483 B11R0.81 CCCCCNC(=O)CSCF 62a_100000230301_100015361967 [0,2,0,0,0,0|1,0,0]=3 11484 B11R0.81 CCCCCNC(=O)CSCF 62a_100015361967_100000230301 [0,2,0,0,0,0|1,0,0]=3 11485 B11R0.81 CCCCCNC(=O)NCC#N 2708a_100000734998_100000209983 [0,2,0,0,0,0|1,0,1]=4 11486 B11R0.81 CCCCCNC(=O)NCC#N 273464a_100000209983_100000734998 [0,2,0,0,0,0|1,0,1]=4 11487 B11R0.81 CCCCCNC(=O)NCC#N 273464a_100000734998_100000209983 [0,2,0,0,0,0|1,0,1]=4 11488 B11R0.81 CCCCCNC(=O)NCC#N 512a_100000209983_100000734998 [0,2,0,0,0,0|1,0,1]=4 11489 B11R0.81 CCCCCNC(=O)NCC#N 512a_100000734998_100000209983 [0,2,0,0,0,0|1,0,1]=4 11490 B11R0.81 CCCCCNC(=O)NCCC 2708a_100000209983_100020643023 [0,2,0,0,0,0|1,0,0]=3 11491 B11R0.81 CCCCCNC(=O)NCCC 2708a_100020643023_100000209983 [0,2,0,0,0,0|1,0,0]=3 11492 B11R0.81 CCCCCNC(=O)NCCC 273464a_100000209983_100020643023 [0,2,0,0,0,0|1,0,0]=3 11493 B11R0.81 CCCCCNC(=O)NCCC 273464a_100020643023_100000209983 [0,2,0,0,0,0|1,0,0]=3 11494 B11R0.81 CCCCCNC(=O)NCCC 512a_100000209983_100020643023 [0,2,0,0,0,0|1,0,0]=3 11495 B11R0.81 CCCCCNC(=O)NCCC 512a_100020643023_100000209983 [0,2,0,0,0,0|1,0,0]=3 11496 B11R0.81 CCCCCNC(=O)NCCF 2708a_100000209983_100000724931 [0,2,0,0,0,0|1,0,0]=3 11497 B11R0.81 CCCCCNC(=O)NCCF 273464a_100000209983_100000724931 [0,2,0,0,0,0|1,0,0]=3 11498 B11R0.81 CCCCCNC(=O)NCCF 273464a_100000724931_100000209983 [0,2,0,0,0,0|1,0,0]=3 11499 B11R0.81 CCCCCNC(=O)NCCF 512a_100000209983_100000724931 [0,2,0,0,0,0|1,0,0]=3 11500 B11R0.81 CCCCCNC(=O)NCCO 2708a_100000209983_100000210304 [0,2,0,0,0,0|1,0,0]=3 11501 B11R0.81 CCCCCNC(=O)NCCO 273464a_100000209983_100000210304 [0,2,0,0,0,0|1,0,0]=3 11502 B11R0.81 CCCCCNC(=O)NCCO 273464a_100000210304_100000209983 [0,2,0,0,0,0|1,0,0]=3 11503 B11R0.81 CCCCCNC(=O)NCCO 512a_100000209983_100000210304 [0,2,0,0,0,0|1,0,0]=3 11504 B11R0.81 CCCCCNC(=O)NNCC 273464a_100000209983_100000756455 [0,2,0,0,0,0|1,0,0]=3 11505 B11R0.81 CCCCCNC(=O)NNCC 512a_100000209983_100000756455 [0,2,0,0,0,0|1,0,0]=3 11506 B11R0.81 CCCCCNC(=O)NNCC 512a_100000756455_100000209983 [0,2,0,0,0,0|1,0,0]=3 11507 B11R0.81 CCCCNCC(=O)NCC#N 2230a_100000102301_100000736037 [0,2,0,0,0,0|1,0,1]=4 11508 B11R0.81 CCCCNCC(=O)NCC#N 7a_106832991798_100000736037 [0,2,0,0,0,0|1,0,1]=4 11509 B11R0.81 CCCCNCC(=O)NCCC 2230a_100000102301_100000183358 [0,2,0,0,0,0|1,0,0]=3 11510 B11R0.81 CCCCNCC(=O)NCCC 2230a_100000174927_100000210211 [0,2,0,0,0,0|1,0,0]=3 11511 B11R0.81 CCCCNCC(=O)NCCC 7a_106832991798_100000183358 [0,2,0,0,0,0|1,0,0]=3 11512 B11R0.81 CCCCNCC(=O)NCCF 2230a_100000725713_100000210211 [0,2,0,0,0,0|1,0,0]=3 11513 B11R0.81 CCCCNCC(=O)OCCC 2230a_100000102301_200011215008 [0,2,0,0,0,0|1,0,0]=3 11514 B11R0.81 CCCCNCC(=O)OCCC 7a_106832991798_200011215008 [0,2,0,0,0,0|1,0,0]=3 11515 B11R0.81 CCCCNNC(=O)CCC#N 22a_100025702795_100011934036 [0,2,0,0,0,0|2,0,0]=4 11516 B11R0.81 CCCCNNC(=O)CCCC 22a_100025702795_100000210183 [0,2,0,0,0,0|2,0,0]=4 11517 B11R0.81 CCCCNNC(=O)CCOC 22a_100025702795_100000749529 [0,2,0,0,0,0|2,0,0]=4 11518 B11R0.81 CCCCNNC(=O)CCSC 22a_100025702795_100000174002 [0,2,0,0,0,0|2,0,0]=4 11519 B11R0.81 CCCCNNC(=O)COCC 22a_100025702795_100000211967 [0,2,0,0,0,0|2,0,0]=4 11520 B11R0.81 CCCCNNC(=O)CSCC 22a_100025702795_100000230394 [0,2,0,0,0,0|2,0,0]=4 11521 B11R0.81 CCCCNNC(=O)NCCC 273464a_100020643023_100025702795 [0,2,0,0,0,0|2,0,0]=4 11522 B11R0.81 CCCCNNC(=O)NCCC 512a_100020643023_100025702795 [0,2,0,0,0,0|2,0,0]=4 11523 B11R0.81 CCCCNNC(=O)NCCC 512a_100025702795_100020643023 [0,2,0,0,0,0|2,0,0]=4 11524 B11R0.81 CCCCNNC(=O)NCCF 273464a_100000724931_100025702795 [0,2,0,0,0,0|2,0,0]=4 11525 B11R0.81 CCCCNNC(=O)NCCF 512a_100025702795_100000724931 [0,2,0,0,0,0|2,0,0]=4 11526 B11R0.81 CCCCNNC(=O)NCCO 273464a_100000210304_100025702795 [0,2,0,0,0,0|2,0,0]=4 11527 B11R0.81 CCCCNNC(=O)NCCO 512a_100025702795_100000210304 [0,2,0,0,0,0|2,0,0]=4 11528 B11R0.81 CCCCNNC(=O)NNCC 512a_100000756455_100025702795 [0,2,0,0,0,0|2,0,0]=4 11529 B11R0.81 CCCCNNC(=O)NNCC 512a_100025702795_100000756455 [0,2,0,0,0,0|2,0,0]=4 11530 B11R0.81 CCCCOCC(=O)C#CCO 1458a_100000049017_100011995733 [0,2,0,0,0,0|1,0,1]=4 11531 B11R0.81 CCCCOCC(=O)C=COC 1458a_100016268678_100011995733 [0,2,0,0,0,0|1,0,1]=4 11532 B11R0.81 CCCCOCC(=O)CCC#N 1458a_100000757543_100011215226 [0,2,0,0,0,0|1,0,0]=3 11533 B11R0.81 CCCCOCC(=O)CCC#N 1458a_100011934036_100011995733 [0,2,0,0,0,0|1,0,0]=3 11534 B11R0.81 CCCCOCC(=O)CCCC 1458a_100000210183_100011995733 [0,2,0,0,0,0|1,0,0]=3 11535 B11R0.81 CCCCOCC(=O)CCCC 1458a_100000757543_100000210211 [0,2,0,0,0,0|1,0,0]=3 11536 B11R0.81 CCCCOCC(=O)CCCF 1458a_100000757543_100011934791 [0,2,0,0,0,0|1,0,0]=3 11537 B11R0.81 CCCCOCC(=O)CCCO 1458a_100000757543_100011215043 [0,2,0,0,0,0|1,0,0]=3 11538 B11R0.81 CCCCOCC(=O)CCOC 1458a_100000749529_100011995733 [0,2,0,0,0,0|1,0,0]=3 11539 B11R0.81 CCCCOCC(=O)CCOC 1458a_100000757543_100000233755 [0,2,0,0,0,0|1,0,0]=3 11540 B11R0.81 CCCCOCC(=O)CCSC 1458a_100000174002_100011995733 [0,2,0,0,0,0|1,0,0]=3 11541 B11R0.81 CCCCOCC(=O)CCSC 1458a_100000757543_100000751147 [0,2,0,0,0,0|1,0,0]=3 11542 B11R0.81 CCCCOCC(=O)COCC 1458a_100000211967_100011995733 [0,2,0,0,0,0|1,0,0]=3 11543 B11R0.81 CCCCOCC(=O)CSCC 1458a_100000230394_100011995733 [0,2,0,0,0,0|1,0,0]=3 11544 B11R0.81 CCCCOCC(=O)NCC#N 1626a_100000734998_100000757543 [0,2,0,0,0,0|1,0,1]=4 11545 B11R0.81 CCCCOCC(=O)NCC#N 527a_100000734998_100000757543 [0,2,0,0,0,0|1,0,1]=4 11546 B11R0.81 CCCCOCC(=O)NCC#N 7a_100000210227_100000736037 [0,2,0,0,0,0|1,0,1]=4 11547 B11R0.81 CCCCOCC(=O)NCCC 11a_100020643023_100000757543 [0,2,0,0,0,0|1,0,0]=3 11548 B11R0.81 CCCCOCC(=O)NCCC 1626a_100020643023_100000757543 [0,2,0,0,0,0|1,0,0]=3 11549 B11R0.81 CCCCOCC(=O)NCCC 240690a_100020643023_100000757543 [0,2,0,0,0,0|1,0,0]=3 11550 B11R0.81 CCCCOCC(=O)NCCC 34a_100000210227_100000183358 [0,2,0,0,0,0|1,0,0]=3 11551 B11R0.81 CCCCOCC(=O)NCCC 527a_100020643023_100000757543 [0,2,0,0,0,0|1,0,0]=3 11552 B11R0.81 CCCCOCC(=O)NCCC 7a_100000210227_100000183358 [0,2,0,0,0,0|1,0,0]=3 11553 B11R0.81 CCCCOCC(=O)NCCF 11a_100000724931_100000757543 [0,2,0,0,0,0|1,0,0]=3 11554 B11R0.81 CCCCOCC(=O)NCCF 1626a_100000724931_100000757543 [0,2,0,0,0,0|1,0,0]=3 11555 B11R0.81 CCCCOCC(=O)NCCF 240690a_100000724931_100000757543 [0,2,0,0,0,0|1,0,0]=3 11556 B11R0.81 CCCCOCC(=O)NCCF 527a_100000724931_100000757543 [0,2,0,0,0,0|1,0,0]=3 11557 B11R0.81 CCCCOCC(=O)NCCO 240690a_100000210304_100000757543 [0,2,0,0,0,0|1,0,0]=3 11558 B11R0.81 CCCCOCC(=O)NCCO 527a_100000210304_100000757543 [0,2,0,0,0,0|1,0,0]=3 11559 B11R0.81 CCCCOCC(=O)NNCC 22a_100000756455_100000757543 [0,2,0,0,0,0|1,0,0]=3 11560 B11R0.81 CCCCOCC(=O)OCCC 34a_100000210227_200011215008 [0,2,0,0,0,0|1,0,0]=3 11561 B11R0.81 CCCCOCC(=O)OCCC 7a_100000210227_200011215008 [0,2,0,0,0,0|1,0,0]=3 11562 B11R0.81 CCCCSCC(=O)CCC#N 1458a_100000191162_100011215226 [0,2,0,0,0,0|1,0,0]=3 11563 B11R0.81 CCCCSCC(=O)CCCC 1458a_100000191162_100000210211 [0,2,0,0,0,0|1,0,0]=3 11564 B11R0.81 CCCCSCC(=O)CCCF 1458a_100000191162_100011934791 [0,2,0,0,0,0|1,0,0]=3 11565 B11R0.81 CCCCSCC(=O)CCCO 1458a_100000191162_100011215043 [0,2,0,0,0,0|1,0,0]=3 11566 B11R0.81 CCCCSCC(=O)CCOC 1458a_100000191162_100000233755 [0,2,0,0,0,0|1,0,0]=3 11567 B11R0.81 CCCCSCC(=O)CCSC 1458a_100000191162_100000751147 [0,2,0,0,0,0|1,0,0]=3 11568 B11R0.81 CCCCSCC(=O)NCC#N 1626a_100000734998_100000191162 [0,2,0,0,0,0|1,0,1]=4 11569 B11R0.81 CCCCSCC(=O)NCC#N 527a_100000734998_100000191162 [0,2,0,0,0,0|1,0,1]=4 11570 B11R0.81 CCCCSCC(=O)NCC#N 62a_100000210211_100000736037 [0,2,0,0,0,0|1,0,1]=4 11571 B11R0.81 CCCCSCC(=O)NCC#N 62a_100000736037_100000210210 [0,2,0,0,0,0|1,0,1]=4 11572 B11R0.81 CCCCSCC(=O)NCCC 11a_100020643023_100000191162 [0,2,0,0,0,0|1,0,0]=3 11573 B11R0.81 CCCCSCC(=O)NCCC 1626a_100020643023_100000191162 [0,2,0,0,0,0|1,0,0]=3 11574 B11R0.81 CCCCSCC(=O)NCCC 240690a_100020643023_100000191162 [0,2,0,0,0,0|1,0,0]=3 11575 B11R0.81 CCCCSCC(=O)NCCC 527a_100020643023_100000191162 [0,2,0,0,0,0|1,0,0]=3 11576 B11R0.81 CCCCSCC(=O)NCCC 62a_100000183358_100000210210 [0,2,0,0,0,0|1,0,0]=3 11577 B11R0.81 CCCCSCC(=O)NCCC 62a_100000210211_100000183358 [0,2,0,0,0,0|1,0,0]=3 11578 B11R0.81 CCCCSCC(=O)NCCF 11a_100000724931_100000191162 [0,2,0,0,0,0|1,0,0]=3 11579 B11R0.81 CCCCSCC(=O)NCCF 1626a_100000724931_100000191162 [0,2,0,0,0,0|1,0,0]=3 11580 B11R0.81 CCCCSCC(=O)NCCF 240690a_100000724931_100000191162 [0,2,0,0,0,0|1,0,0]=3 11581 B11R0.81 CCCCSCC(=O)NCCF 527a_100000724931_100000191162 [0,2,0,0,0,0|1,0,0]=3 11582 B11R0.81 CCCCSCC(=O)NCCO 240690a_100000210304_100000191162 [0,2,0,0,0,0|1,0,0]=3 11583 B11R0.81 CCCCSCC(=O)NCCO 527a_100000210304_100000191162 [0,2,0,0,0,0|1,0,0]=3 11584 B11R0.81 CCCCSCC(=O)NNCC 22a_100000756455_100000191162 [0,2,0,0,0,0|1,0,0]=3 11585 B11R0.81 CCCCSCC(=O)OCCC 62a_100000210211_200011215008 [0,2,0,0,0,0|1,0,0]=3 11586 B11R0.81 CCCCSCC(=O)OCCC 62a_200011215008_100000210210 [0,2,0,0,0,0|1,0,0]=3 11587 B11R0.81 CCCNC(=O)CCCCCO 240690a_100020643023_100102619762 [0,2,0,0,0,0|1,0,0]=3 11588 B11R0.81 CCCNC(=O)CCCNCC 2230a_100015525214_100011194427 [0,2,0,0,0,0|1,0,0]=3 11589 B11R0.81 CCCNC(=O)CCCSCC 62a_100000210202_100011194427 [0,2,0,0,0,0|1,0,0]=3 11590 B11R0.81 CCCNC(=O)CCCSCC 62a_100011194427_100000210202 [0,2,0,0,0,0|1,0,0]=3 11591 B11R0.81 CCCNC(=O)CCCSCF 62a_100011194427_100015361967 [0,2,0,0,0,0|2,0,0]=4 11592 B11R0.81 CCCNC(=O)CCCSCF 62a_100015361967_100011194427 [0,2,0,0,0,0|2,0,0]=4 11593 B11R0.81 CCCNC(=O)CCOCCO 1626a_100020643023_100011229844 [0,2,0,0,0,0|2,0,0]=4 11594 B11R0.81 CCCNC(=O)CCOCCO 240690a_100020643023_100011229844 [0,2,0,0,0,0|2,0,0]=4 11595 B11R0.81 CCCNC(=O)CNCCCF 2230a_100000174927_100011934791 [0,2,0,0,0,0|2,0,0]=4 11596 B11R0.81 CCCNC(=O)CNCCCF 2230a_100015189416_100000183358 [0,2,0,0,0,0|2,0,0]=4 11597 B11R0.81 CCCNC(=O)CNCCCF 34a_100015189416_100000183358 [0,2,0,0,0,0|2,0,0]=4 11598 B11R0.81 CCCNC(=O)CNCCCO 2230a_100000174927_100000230001 [0,2,0,0,0,0|2,0,0]=4 11599 B11R0.81 CCCNC(=O)CNCCOC 2230a_100000174927_100011201679 [0,2,0,0,0,0|2,0,0]=4 11600 B11R0.81 CCCNC(=O)CNCCOC 2230a_100000209980_100000183358 [0,2,0,0,0,0|2,0,0]=4 11601 B11R0.81 CCCNC(=O)CNCCSC 2230a_100000174927_100000751147 [0,2,0,0,0,0|2,0,0]=4 11602 B11R0.81 CCCNC(=O)CNCCSC 2230a_100020590264_100000183358 [0,2,0,0,0,0|2,0,0]=4 11603 B11R0.81 CCCNC(=O)COCCCBr 34a_100011217188_100000183358 [0,2,0,0,0,0|2,0,0]=4 11604 B11R0.81 CCCNC(=O)COCCCCl 34a_100000230001_100000183358 [0,2,0,0,0,0|2,0,0]=4 11605 B11R0.81 CCCNC(=O)COCCCF 34a_100000759539_100000183358 [0,2,0,0,0,0|2,0,0]=4 11606 B11R0.81 CCCNC(=O)COCCCN 34a_100000182051_100000183358 [0,2,0,0,0,0|2,0,0]=4 11607 B11R0.81 CCCNC(=O)COCCOC 11a_100020643023_100000211095 [0,2,0,0,0,0|2,0,0]=4 11608 B11R0.81 CCCNC(=O)COCCOC 1626a_100020643023_100000211095 [0,2,0,0,0,0|2,0,0]=4 11609 B11R0.81 CCCNC(=O)COCCOC 240690a_100020643023_100000211095 [0,2,0,0,0,0|2,0,0]=4 11610 B11R0.81 CCCNC(=O)COCCOC 34a_100000210237_100000183358 [0,2,0,0,0,0|2,0,0]=4 11611 B11R0.81 CCCNC(=O)COCCOC 527a_100020643023_100000211095 [0,2,0,0,0,0|2,0,0]=4 11612 B11R0.81 CCCNC(=O)COCCSC 34a_100000230434_100000183358 [0,2,0,0,0,0|2,0,0]=4 11613 B11R0.81 CCCNC(=O)COCCSC 7a_100000230434_100000183358 [0,2,0,0,0,0|2,0,0]=4 11614 B11R0.81 CCCNC(=O)CSCCCF 62a_100000183358_100011934791 [0,2,0,0,0,0|2,0,0]=4 11615 B11R0.81 CCCNC(=O)CSCCCF 62a_100011934791_100000183358 [0,2,0,0,0,0|2,0,0]=4 11616 B11R0.81 CCCNC(=O)CSCCCO 62a_100000183358_100011215043 [0,2,0,0,0,0|2,0,0]=4 11617 B11R0.81 CCCNC(=O)CSCCCO 62a_100011215043_100000183358 [0,2,0,0,0,0|2,0,0]=4 11618 B11R0.81 CCCNC(=O)CSCCOC 62a_100000183358_100000233755 [0,2,0,0,0,0|2,0,0]=4 11619 B11R0.81 CCCNC(=O)CSCCOC 62a_100000233755_100000183358 [0,2,0,0,0,0|2,0,0]=4 11620 B11R0.81 CCCNC(=O)CSCCSC 62a_100000183358_100000751147 [0,2,0,0,0,0|2,0,0]=4 11621 B11R0.81 CCCNC(=O)CSCCSC 62a_100000212216_100000183358 [0,2,0,0,0,0|2,0,0]=4 11622 B11R0.81 CCCNC(=O)CSCOCC 62a_100000183358_100000739092 [0,2,0,0,0,0|2,0,0]=4 11623 B11R0.81 CCCNC(=O)CSCOCC 62a_100000739092_100000183358 [0,2,0,0,0,0|2,0,0]=4 11624 B11R0.81 CCCNC(=O)NCCCCO 2708a_100000750430_100020643023 [0,2,0,0,0,0|2,0,0]=4 11625 B11R0.81 CCCNC(=O)NCCCCO 2708a_100020643023_100000750430 [0,2,0,0,0,0|2,0,0]=4 11626 B11R0.81 CCCNC(=O)NCCCCO 273464a_100000750430_100020643023 [0,2,0,0,0,0|2,0,0]=4 11627 B11R0.81 CCCNC(=O)NCCCCO 273464a_100020643023_100000750430 [0,2,0,0,0,0|2,0,0]=4 11628 B11R0.81 CCCNC(=O)NCCCCO 512a_100000750430_100020643023 [0,2,0,0,0,0|2,0,0]=4 11629 B11R0.81 CCCNC(=O)NCCCCO 512a_100020643023_100000750430 [0,2,0,0,0,0|2,0,0]=4 11630 B11R0.81 CCCNC(=O)NCCCOC 2708a_100020643023_100150723488 [0,2,0,0,0,0|2,0,0]=4 11631 B11R0.81 CCCNC(=O)NCCCOC 2708a_100150723488_100020643023 [0,2,0,0,0,0|2,0,0]=4 11632 B11R0.81 CCCNC(=O)NCCCOC 273464a_100020643023_100150723488 [0,2,0,0,0,0|2,0,0]=4 11633 B11R0.81 CCCNC(=O)NCCCOC 273464a_100150723488_100020643023 [0,2,0,0,0,0|2,0,0]=4 11634 B11R0.81 CCCNC(=O)NCCCOC 512a_100020643023_100150723488 [0,2,0,0,0,0|2,0,0]=4 11635 B11R0.81 CCCNC(=O)NCCCSC 2708a_100000749238_100020643023 [0,2,0,0,0,0|2,0,0]=4 11636 B11R0.81 CCCNC(=O)NCCCSC 2708a_100020643023_100000749238 [0,2,0,0,0,0|2,0,0]=4 11637 B11R0.81 CCCNC(=O)NCCCSC 273464a_100000749238_100020643023 [0,2,0,0,0,0|2,0,0]=4 11638 B11R0.81 CCCNC(=O)NCCCSC 273464a_100020643023_100000749238 [0,2,0,0,0,0|2,0,0]=4 11639 B11R0.81 CCCNC(=O)NCCCSC 512a_100000749238_100020643023 [0,2,0,0,0,0|2,0,0]=4 11640 B11R0.81 CCCNC(=O)NCCCSC 512a_100020643023_100000749238 [0,2,0,0,0,0|2,0,0]=4 11641 B11R0.81 CCCNC(=O)NCCOCC 2708a_100011200944_100020643023 [0,2,0,0,0,0|2,0,0]=4 11642 B11R0.81 CCCNC(=O)NCCOCC 2708a_100020643023_100011200944 [0,2,0,0,0,0|2,0,0]=4 11643 B11R0.81 CCCNC(=O)NCCOCC 273464a_100020643023_102516460346 [0,2,0,0,0,0|2,0,0]=4 11644 B11R0.81 CCCNC(=O)NCCOCC 273464a_102516460346_100020643023 [0,2,0,0,0,0|2,0,0]=4 11645 B11R0.81 CCCNC(=O)NCCOCC 512a_100011200944_100020643023 [0,2,0,0,0,0|2,0,0]=4 11646 B11R0.81 CCCNC(=O)NCCOCC 512a_100020643023_100011200944 [0,2,0,0,0,0|2,0,0]=4 11647 B11R0.81 CCCNC(=O)NCCSCC 2708a_100000106463_100020643023 [0,2,0,0,0,0|2,0,0]=4 11648 B11R0.81 CCCNC(=O)NCCSCC 2708a_100020643023_100000106463 [0,2,0,0,0,0|2,0,0]=4 11649 B11R0.81 CCCNC(=O)NCCSCC 273464a_100000106463_100020643023 [0,2,0,0,0,0|2,0,0]=4 11650 B11R0.81 CCCNC(=O)NCCSCC 273464a_100020643023_100000106463 [0,2,0,0,0,0|2,0,0]=4 11651 B11R0.81 CCCNC(=O)NCCSCC 512a_100000106463_100020643023 [0,2,0,0,0,0|2,0,0]=4 11652 B11R0.81 CCCNC(=O)NCCSCC 512a_100020643023_100000106463 [0,2,0,0,0,0|2,0,0]=4 11653 B11R0.81 CCCOC(=O)CNCCCF 2230a_100015189416_200011215008 [0,2,0,0,0,0|2,0,0]=4 11654 B11R0.81 CCCOC(=O)CNCCCF 34a_100015189416_200011215008 [0,2,0,0,0,0|2,0,0]=4 11655 B11R0.81 CCCOC(=O)CNCCOC 2230a_100000209980_200011215008 [0,2,0,0,0,0|2,0,0]=4 11656 B11R0.81 CCCOC(=O)CNCCSC 2230a_100020590264_200011215008 [0,2,0,0,0,0|2,0,0]=4 11657 B11R0.81 CCCOC(=O)COCCCBr 34a_100011217188_200011215008 [0,2,0,0,0,0|2,0,0]=4 11658 B11R0.81 CCCOC(=O)COCCCCl 34a_100000230001_200011215008 [0,2,0,0,0,0|2,0,0]=4 11659 B11R0.81 CCCOC(=O)COCCCF 34a_100000759539_200011215008 [0,2,0,0,0,0|2,0,0]=4 11660 B11R0.81 CCCOC(=O)COCCCN 34a_100000182051_200011215008 [0,2,0,0,0,0|2,0,0]=4 11661 B11R0.81 CCCOC(=O)COCCOC 34a_100000210237_200011215008 [0,2,0,0,0,0|2,0,0]=4 11662 B11R0.81 CCCOC(=O)COCCSC 34a_100000230434_200011215008 [0,2,0,0,0,0|2,0,0]=4 11663 B11R0.81 CCCOC(=O)COCCSC 7a_100000230434_200011215008 [0,2,0,0,0,0|2,0,0]=4 11664 B11R0.81 CCCOC(=O)CSCCCF 62a_100011934791_200011215008 [0,2,0,0,0,0|2,0,0]=4 11665 B11R0.81 CCCOC(=O)CSCCCF 62a_200011215008_100011934791 [0,2,0,0,0,0|2,0,0]=4 11666 B11R0.81 CCCOC(=O)CSCCCO 62a_100011215043_200011215008 [0,2,0,0,0,0|2,0,0]=4 11667 B11R0.81 CCCOC(=O)CSCCCO 62a_200011215008_100011215043 [0,2,0,0,0,0|2,0,0]=4 11668 B11R0.81 CCCOC(=O)CSCCOC 62a_100000233755_200011215008 [0,2,0,0,0,0|2,0,0]=4 11669 B11R0.81 CCCOC(=O)CSCCOC 62a_200011215008_100000233755 [0,2,0,0,0,0|2,0,0]=4 11670 B11R0.81 CCCOC(=O)CSCCSC 62a_100000212216_200011215008 [0,2,0,0,0,0|2,0,0]=4 11671 B11R0.81 CCCOC(=O)CSCCSC 62a_200011215008_100000751147 [0,2,0,0,0,0|2,0,0]=4 11672 B11R0.81 CCCOC(=O)CSCOCC 62a_100000739092_200011215008 [0,2,0,0,0,0|2,0,0]=4 11673 B11R0.81 CCCOC(=O)CSCOCC 62a_200011215008_100000739092 [0,2,0,0,0,0|2,0,0]=4 11674 B11R0.81 CCCOC(=O)OCSCCC 62a_100000210303_200000139673 [0,2,0,0,0,0|2,0,0]=4 11675 B11R0.81 CCCOCCC(=O)C#CCO 1458a_100000049017_100011215938 [0,2,0,0,0,0|1,0,1]=4 11676 B11R0.81 CCCOCCC(=O)C=COC 1458a_100016268678_100011215938 [0,2,0,0,0,0|1,0,1]=4 11677 B11R0.81 CCCOCCC(=O)CCC#N 1458a_100011934036_100011215938 [0,2,0,0,0,0|1,0,0]=3 11678 B11R0.81 CCCOCCC(=O)CCOC 1458a_100000749529_100011215938 [0,2,0,0,0,0|1,0,0]=3 11679 B11R0.81 CCCOCCC(=O)CCSC 1458a_100000174002_100011215938 [0,2,0,0,0,0|1,0,0]=3 11680 B11R0.81 CCCOCCC(=O)COCC 1458a_100000211967_100011215938 [0,2,0,0,0,0|1,0,0]=3 11681 B11R0.81 CCCOCCC(=O)CSCC 1458a_100000230394_100011215938 [0,2,0,0,0,0|1,0,0]=3 11682 B11R0.81 CCCOCOC(=O)OCCC 34a_100000210258_200000139673 [0,2,0,0,0,0|2,0,0]=4 11683 B11R0.81 CCNCC(=O)NCCCOC 2230a_100015525214_100000183178 [0,2,0,0,0,0|2,0,0]=4 11684 B11R0.81 CCNCC(=O)OCCOCC 2230a_100015525214_200000101388 [0,2,0,0,0,0|2,0,0]=4 11685 B11R0.81 CCNNC(=O)CCCCCO 22a_100000756455_100102619762 [0,2,0,0,0,0|1,0,0]=3 11686 B11R0.81 CCNNC(=O)CCOCCO 22a_100000756455_100011229844 [0,2,0,0,0,0|2,0,0]=4 11687 B11R0.81 CCNNC(=O)COCCOC 22a_100000756455_100000211095 [0,2,0,0,0,0|2,0,0]=4 11688 B11R0.81 CCNNC(=O)NCCCCO 273464a_100000750430_100000756455 [0,2,0,0,0,0|2,0,0]=4 11689 B11R0.81 CCNNC(=O)NCCCCO 512a_100000750430_100000756455 [0,2,0,0,0,0|2,0,0]=4 11690 B11R0.81 CCNNC(=O)NCCCCO 512a_100000756455_100000750430 [0,2,0,0,0,0|2,0,0]=4 11691 B11R0.81 CCNNC(=O)NCCCOC 273464a_100150723488_100000756455 [0,2,0,0,0,0|2,0,0]=4 11692 B11R0.81 CCNNC(=O)NCCCOC 512a_100000756455_100150723488 [0,2,0,0,0,0|2,0,0]=4 11693 B11R0.81 CCNNC(=O)NCCCSC 273464a_100000749238_100000756455 [0,2,0,0,0,0|2,0,0]=4 11694 B11R0.81 CCNNC(=O)NCCCSC 512a_100000749238_100000756455 [0,2,0,0,0,0|2,0,0]=4 11695 B11R0.81 CCNNC(=O)NCCCSC 512a_100000756455_100000749238 [0,2,0,0,0,0|2,0,0]=4 11696 B11R0.81 CCNNC(=O)NCCOCC 273464a_102516460346_100000756455 [0,2,0,0,0,0|2,0,0]=4 11697 B11R0.81 CCNNC(=O)NCCOCC 512a_100000756455_100011200944 [0,2,0,0,0,0|2,0,0]=4 11698 B11R0.81 CCNNC(=O)NCCOCC 512a_100011200944_100000756455 [0,2,0,0,0,0|2,0,0]=4 11699 B11R0.81 CCNNC(=O)NCCSCC 273464a_100000106463_100000756455 [0,2,0,0,0,0|2,0,0]=4 11700 B11R0.81 CCNNC(=O)NCCSCC 512a_100000106463_100000756455 [0,2,0,0,0,0|2,0,0]=4 11701 B11R0.81 CCNNC(=O)NCCSCC 512a_100000756455_100000106463 [0,2,0,0,0,0|2,0,0]=4 11702 B11R0.81 CCOCC(=O)CCCCC#N 1458a_100000211967_100000211819 [0,2,0,0,0,0|1,0,1]=4 11703 B11R0.81 CCOCC(=O)CCCCCF 1458a_100000211967_100000729378 [0,2,0,0,0,0|1,0,0]=3 11704 B11R0.81 CCOCC(=O)CCCCCO 1458a_100000211967_100000746330 [0,2,0,0,0,0|1,0,0]=3 11705 B11R0.81 CCOCC(=O)CCCCOC 1458a_100000211967_100000755781 [0,2,0,0,0,0|1,0,0]=3 11706 B11R0.81 CCOCC(=O)CCOCCO 1458a_100000211967_100011215305 [0,2,0,0,0,0|2,0,0]=4 11707 B11R0.81 CCOCC(=O)NCCCCO 240690a_100000750430_100000211967 [0,2,0,0,0,0|2,0,0]=4 11708 B11R0.81 CCOCC(=O)NCCCCO 527a_100000750430_100000211967 [0,2,0,0,0,0|2,0,0]=4 11709 B11R0.81 CCOCC(=O)NCCCOC 1626a_100150723488_100000211967 [0,2,0,0,0,0|2,0,0]=4 11710 B11R0.81 CCOCC(=O)NCCCOC 240690a_100150723488_100000211967 [0,2,0,0,0,0|2,0,0]=4 11711 B11R0.81 CCOCC(=O)NCCCOC 34a_100121572206_100000183178 [0,2,0,0,0,0|2,0,0]=4 11712 B11R0.81 CCOCC(=O)NCCCOC 527a_100150723488_100000211967 [0,2,0,0,0,0|2,0,0]=4 11713 B11R0.81 CCOCC(=O)NCCCSC 11a_100000749238_100000211967 [0,2,0,0,0,0|2,0,0]=4 11714 B11R0.81 CCOCC(=O)NCCCSC 1626a_100000749238_100000211967 [0,2,0,0,0,0|2,0,0]=4 11715 B11R0.81 CCOCC(=O)NCCCSC 240690a_100000749238_100000211967 [0,2,0,0,0,0|2,0,0]=4 11716 B11R0.81 CCOCC(=O)NCCCSC 527a_100000749238_100000211967 [0,2,0,0,0,0|2,0,0]=4 11717 B11R0.81 CCOCC(=O)NCCSCC 11a_100000106463_100000211967 [0,2,0,0,0,0|2,0,0]=4 11718 B11R0.81 CCOCC(=O)NCCSCC 1626a_100000106463_100000211967 [0,2,0,0,0,0|2,0,0]=4 11719 B11R0.81 CCOCC(=O)NCCSCC 240690a_100000106463_100000211967 [0,2,0,0,0,0|2,0,0]=4 11720 B11R0.81 CCOCC(=O)NCCSCC 527a_100000106463_100000211967 [0,2,0,0,0,0|2,0,0]=4 11721 B11R0.81 CCOCCCC(=O)C#CCO 1458a_100000049017_100012232248 [0,2,0,0,0,0|1,0,1]=4 11722 B11R0.81 CCOCCCC(=O)C=COC 1458a_100016268678_100012232248 [0,2,0,0,0,0|1,0,1]=4 11723 B11R0.81 CCOCCCC(=O)CCC#N 1458a_100011934036_100012232248 [0,2,0,0,0,0|1,0,0]=3 11724 B11R0.81 CCOCCCC(=O)CCOC 1458a_100000749529_100012232248 [0,2,0,0,0,0|1,0,0]=3 11725 B11R0.81 CCOCCCC(=O)CCSC 1458a_100000174002_100012232248 [0,2,0,0,0,0|1,0,0]=3 11726 B11R0.81 CCOCCCC(=O)COCC 1458a_100000211967_100012232248 [0,2,0,0,0,0|1,0,0]=3 11727 B11R0.81 CCOCCCC(=O)CSCC 1458a_100000230394_100012232248 [0,2,0,0,0,0|1,0,0]=3 11728 B11R0.81 CCOCCNC(=O)CCC#N 11a_100011200944_100011934036 [0,2,0,0,0,0|2,0,0]=4 11729 B11R0.81 CCOCCNC(=O)CCC#N 1626a_102516460346_100011934036 [0,2,0,0,0,0|2,0,0]=4 11730 B11R0.81 CCOCCNC(=O)CCC#N 240690a_100011200944_100011934036 [0,2,0,0,0,0|2,0,0]=4 11731 B11R0.81 CCOCCNC(=O)CCC#N 527a_100011200944_100011934036 [0,2,0,0,0,0|2,0,0]=4 11732 B11R0.81 CCOCCNC(=O)CCOC 11a_100011200944_100000749529 [0,2,0,0,0,0|2,0,0]=4 11733 B11R0.81 CCOCCNC(=O)CCOC 1626a_102516460346_100000749529 [0,2,0,0,0,0|2,0,0]=4 11734 B11R0.81 CCOCCNC(=O)CCOC 240690a_100011200944_100000749529 [0,2,0,0,0,0|2,0,0]=4 11735 B11R0.81 CCOCCNC(=O)CCOC 527a_100011200944_100000749529 [0,2,0,0,0,0|2,0,0]=4 11736 B11R0.81 CCOCCNC(=O)CCSC 11a_100011200944_100000174002 [0,2,0,0,0,0|2,0,0]=4 11737 B11R0.81 CCOCCNC(=O)CCSC 1626a_102516460346_100000174002 [0,2,0,0,0,0|2,0,0]=4 11738 B11R0.81 CCOCCNC(=O)CCSC 240690a_100011200944_100000174002 [0,2,0,0,0,0|2,0,0]=4 11739 B11R0.81 CCOCCNC(=O)CCSC 527a_100011200944_100000174002 [0,2,0,0,0,0|2,0,0]=4 11740 B11R0.81 CCOCCNC(=O)COCC 11a_100011200944_100000211967 [0,2,0,0,0,0|2,0,0]=4 11741 B11R0.81 CCOCCNC(=O)COCC 1626a_102516460346_100000211967 [0,2,0,0,0,0|2,0,0]=4 11742 B11R0.81 CCOCCNC(=O)COCC 240690a_100011200944_100000211967 [0,2,0,0,0,0|2,0,0]=4 11743 B11R0.81 CCOCCNC(=O)COCC 527a_100011200944_100000211967 [0,2,0,0,0,0|2,0,0]=4 11744 B11R0.81 CCOCCNC(=O)CSCC 11a_100011200944_100000230394 [0,2,0,0,0,0|2,0,0]=4 11745 B11R0.81 CCOCCNC(=O)CSCC 1626a_102516460346_100000230394 [0,2,0,0,0,0|2,0,0]=4 11746 B11R0.81 CCOCCNC(=O)CSCC 240690a_100011200944_100000230394 [0,2,0,0,0,0|2,0,0]=4 11747 B11R0.81 CCOCCNC(=O)CSCC 527a_100011200944_100000230394 [0,2,0,0,0,0|2,0,0]=4 11748 B11R0.81 CCOCCNC(=O)NCCF 2708a_100011200944_100000724931 [0,2,0,0,0,0|2,0,0]=4 11749 B11R0.81 CCOCCNC(=O)NCCF 273464a_100000724931_102516460346 [0,2,0,0,0,0|2,0,0]=4 11750 B11R0.81 CCOCCNC(=O)NCCF 273464a_102516460346_100000724931 [0,2,0,0,0,0|2,0,0]=4 11751 B11R0.81 CCOCCNC(=O)NCCF 512a_100011200944_100000724931 [0,2,0,0,0,0|2,0,0]=4 11752 B11R0.81 CCOCCNC(=O)NCCO 2708a_100011200944_100000210304 [0,2,0,0,0,0|2,0,0]=4 11753 B11R0.81 CCOCCNC(=O)NCCO 273464a_100000210304_102516460346 [0,2,0,0,0,0|2,0,0]=4 11754 B11R0.81 CCOCCNC(=O)NCCO 273464a_102516460346_100000210304 [0,2,0,0,0,0|2,0,0]=4 11755 B11R0.81 CCOCCNC(=O)NCCO 512a_100011200944_100000210304 [0,2,0,0,0,0|2,0,0]=4 11756 B11R0.81 CCOCCOC(=O)COCC 34a_100121572206_200000101388 [0,2,0,0,0,0|2,0,0]=4 11757 B11R0.81 CCOCCOC(=O)CSCC 62a_100000210202_200000101388 [0,2,0,0,0,0|2,0,0]=4 11758 B11R0.81 CCOCCOC(=O)CSCC 62a_200000101388_100000210202 [0,2,0,0,0,0|2,0,0]=4 11759 B11R0.81 CCOCCOC(=O)CSCF 62a_100015361967_200000101388 [0,2,0,0,0,0|2,0,0]=4 11760 B11R0.81 CCOCCOC(=O)CSCF 62a_200000101388_100015361967 [0,2,0,0,0,0|2,0,0]=4 11761 B11R0.81 CCSCC(=O)CCCCC#N 1458a_100000230394_100000211819 [0,2,0,0,0,0|1,0,1]=4 11762 B11R0.81 CCSCC(=O)CCCCCF 1458a_100000230394_100000729378 [0,2,0,0,0,0|1,0,0]=3 11763 B11R0.81 CCSCC(=O)CCCCCO 1458a_100000230394_100000746330 [0,2,0,0,0,0|1,0,0]=3 11764 B11R0.81 CCSCC(=O)CCCCOC 1458a_100000230394_100000755781 [0,2,0,0,0,0|1,0,0]=3 11765 B11R0.81 CCSCC(=O)CCOCCO 1458a_100000230394_100011215305 [0,2,0,0,0,0|2,0,0]=4 11766 B11R0.81 CCSCC(=O)NCCCCO 240690a_100000750430_100000230394 [0,2,0,0,0,0|2,0,0]=4 11767 B11R0.81 CCSCC(=O)NCCCCO 527a_100000750430_100000230394 [0,2,0,0,0,0|2,0,0]=4 11768 B11R0.81 CCSCC(=O)NCCCOC 1626a_100150723488_100000230394 [0,2,0,0,0,0|2,0,0]=4 11769 B11R0.81 CCSCC(=O)NCCCOC 240690a_100150723488_100000230394 [0,2,0,0,0,0|2,0,0]=4 11770 B11R0.81 CCSCC(=O)NCCCOC 527a_100150723488_100000230394 [0,2,0,0,0,0|2,0,0]=4 11771 B11R0.81 CCSCC(=O)NCCCOC 62a_100000183178_100000210202 [0,2,0,0,0,0|2,0,0]=4 11772 B11R0.81 CCSCC(=O)NCCCSC 11a_100000749238_100000230394 [0,2,0,0,0,0|2,0,0]=4 11773 B11R0.81 CCSCC(=O)NCCCSC 1626a_100000749238_100000230394 [0,2,0,0,0,0|2,0,0]=4 11774 B11R0.81 CCSCC(=O)NCCCSC 240690a_100000749238_100000230394 [0,2,0,0,0,0|2,0,0]=4 11775 B11R0.81 CCSCC(=O)NCCCSC 527a_100000749238_100000230394 [0,2,0,0,0,0|2,0,0]=4 11776 B11R0.81 CCSCCNC(=O)CCC#N 11a_100000106463_100011934036 [0,2,0,0,0,0|2,0,0]=4 11777 B11R0.81 CCSCCNC(=O)CCC#N 1626a_100000106463_100011934036 [0,2,0,0,0,0|2,0,0]=4 11778 B11R0.81 CCSCCNC(=O)CCC#N 240690a_100000106463_100011934036 [0,2,0,0,0,0|2,0,0]=4 11779 B11R0.81 CCSCCNC(=O)CCC#N 527a_100000106463_100011934036 [0,2,0,0,0,0|2,0,0]=4 11780 B11R0.81 CCSCCNC(=O)CCOC 11a_100000106463_100000749529 [0,2,0,0,0,0|2,0,0]=4 11781 B11R0.81 CCSCCNC(=O)CCOC 1626a_100000106463_100000749529 [0,2,0,0,0,0|2,0,0]=4 11782 B11R0.81 CCSCCNC(=O)CCOC 240690a_100000106463_100000749529 [0,2,0,0,0,0|2,0,0]=4 11783 B11R0.81 CCSCCNC(=O)CCOC 527a_100000106463_100000749529 [0,2,0,0,0,0|2,0,0]=4 11784 B11R0.81 CCSCCNC(=O)CCSC 11a_100000106463_100000174002 [0,2,0,0,0,0|2,0,0]=4 11785 B11R0.81 CCSCCNC(=O)CCSC 1626a_100000106463_100000174002 [0,2,0,0,0,0|2,0,0]=4 11786 B11R0.81 CCSCCNC(=O)CCSC 240690a_100000106463_100000174002 [0,2,0,0,0,0|2,0,0]=4 11787 B11R0.81 CCSCCNC(=O)CCSC 527a_100000106463_100000174002 [0,2,0,0,0,0|2,0,0]=4 11788 B11R0.81 CCSCCNC(=O)CSCC 11a_100000106463_100000230394 [0,2,0,0,0,0|2,0,0]=4 11789 B11R0.81 CCSCCNC(=O)CSCC 1626a_100000106463_100000230394 [0,2,0,0,0,0|2,0,0]=4 11790 B11R0.81 CCSCCNC(=O)CSCC 240690a_100000106463_100000230394 [0,2,0,0,0,0|2,0,0]=4 11791 B11R0.81 CCSCCNC(=O)CSCC 527a_100000106463_100000230394 [0,2,0,0,0,0|2,0,0]=4 11792 B11R0.81 CCSCCNC(=O)NCCF 2708a_100000106463_100000724931 [0,2,0,0,0,0|2,0,0]=4 11793 B11R0.81 CCSCCNC(=O)NCCF 273464a_100000106463_100000724931 [0,2,0,0,0,0|2,0,0]=4 11794 B11R0.81 CCSCCNC(=O)NCCF 273464a_100000724931_100000106463 [0,2,0,0,0,0|2,0,0]=4 11795 B11R0.81 CCSCCNC(=O)NCCF 512a_100000106463_100000724931 [0,2,0,0,0,0|2,0,0]=4 11796 B11R0.81 CCSCCNC(=O)NCCO 2708a_100000106463_100000210304 [0,2,0,0,0,0|2,0,0]=4 11797 B11R0.81 CCSCCNC(=O)NCCO 273464a_100000106463_100000210304 [0,2,0,0,0,0|2,0,0]=4 11798 B11R0.81 CCSCCNC(=O)NCCO 273464a_100000210304_100000106463 [0,2,0,0,0,0|2,0,0]=4 11799 B11R0.81 CCSCCNC(=O)NCCO 512a_100000106463_100000210304 [0,2,0,0,0,0|2,0,0]=4 11800 B11R0.81 COC=CC(=O)CCCCCF 1458a_100016268678_100000729378 [0,2,0,0,0,0|1,0,1]=4 11801 B11R0.81 COC=CC(=O)CCCCCO 1458a_100016268678_100000746330 [0,2,0,0,0,0|1,0,1]=4 11802 B11R0.81 COC=CC(=O)CCCCOC 1458a_100016268678_100000755781 [0,2,0,0,0,0|1,0,1]=4 11803 B11R0.81 COCCC(=O)CCCCC#N 1458a_100000749529_100000211819 [0,2,0,0,0,0|1,0,1]=4 11804 B11R0.81 COCCC(=O)CCCCCF 1458a_100000749529_100000729378 [0,2,0,0,0,0|1,0,0]=3 11805 B11R0.81 COCCC(=O)CCCCCO 1458a_100000749529_100000746330 [0,2,0,0,0,0|1,0,0]=3 11806 B11R0.81 COCCC(=O)CCCCCO 1458a_100102619762_100000233755 [0,2,0,0,0,0|1,0,0]=3 11807 B11R0.81 COCCC(=O)CCOCCO 1458a_100000749529_100011215305 [0,2,0,0,0,0|2,0,0]=4 11808 B11R0.81 COCCC(=O)CCOCCO 1458a_100011229844_100000233755 [0,2,0,0,0,0|2,0,0]=4 11809 B11R0.81 COCCC(=O)NCCCCO 240690a_100000750430_100000749529 [0,2,0,0,0,0|2,0,0]=4 11810 B11R0.81 COCCC(=O)NCCCCO 527a_100000750430_100000749529 [0,2,0,0,0,0|2,0,0]=4 11811 B11R0.81 COCCC(=O)NCCCSC 11a_100000749238_100000749529 [0,2,0,0,0,0|2,0,0]=4 11812 B11R0.81 COCCC(=O)NCCCSC 1626a_100000749238_100000749529 [0,2,0,0,0,0|2,0,0]=4 11813 B11R0.81 COCCC(=O)NCCCSC 240690a_100000749238_100000749529 [0,2,0,0,0,0|2,0,0]=4 11814 B11R0.81 COCCC(=O)NCCCSC 527a_100000749238_100000749529 [0,2,0,0,0,0|2,0,0]=4 11815 B11R0.81 COCCCCC(=O)C#CCO 1458a_100000049017_100000755781 [0,2,0,0,0,0|1,0,1]=4 11816 B11R0.81 COCCCCC(=O)CCC#N 1458a_100011934036_100000755781 [0,2,0,0,0,0|1,0,0]=3 11817 B11R0.81 COCCCCC(=O)CCOC 1458a_100000749529_100000755781 [0,2,0,0,0,0|1,0,0]=3 11818 B11R0.81 COCCCCC(=O)CCSC 1458a_100000174002_100000755781 [0,2,0,0,0,0|1,0,0]=3 11819 B11R0.81 COCCCNC(=O)CCC#N 1626a_100150723488_100011934036 [0,2,0,0,0,0|2,0,0]=4 11820 B11R0.81 COCCCNC(=O)CCC#N 240690a_100150723488_100011934036 [0,2,0,0,0,0|2,0,0]=4 11821 B11R0.81 COCCCNC(=O)CCC#N 527a_100150723488_100011934036 [0,2,0,0,0,0|2,0,0]=4 11822 B11R0.81 COCCCNC(=O)CCOC 1626a_100150723488_100000749529 [0,2,0,0,0,0|2,0,0]=4 11823 B11R0.81 COCCCNC(=O)CCOC 240690a_100150723488_100000749529 [0,2,0,0,0,0|2,0,0]=4 11824 B11R0.81 COCCCNC(=O)CCOC 527a_100150723488_100000749529 [0,2,0,0,0,0|2,0,0]=4 11825 B11R0.81 COCCCNC(=O)CCSC 1626a_100150723488_100000174002 [0,2,0,0,0,0|2,0,0]=4 11826 B11R0.81 COCCCNC(=O)CCSC 240690a_100150723488_100000174002 [0,2,0,0,0,0|2,0,0]=4 11827 B11R0.81 COCCCNC(=O)CCSC 527a_100150723488_100000174002 [0,2,0,0,0,0|2,0,0]=4 11828 B11R0.81 COCCCNC(=O)CSCF 62a_100000183178_100015361967 [0,2,0,0,0,0|2,0,0]=4 11829 B11R0.81 COCCCNC(=O)NCCF 2708a_100150723488_100000724931 [0,2,0,0,0,0|2,0,0]=4 11830 B11R0.81 COCCCNC(=O)NCCF 273464a_100000724931_100150723488 [0,2,0,0,0,0|2,0,0]=4 11831 B11R0.81 COCCCNC(=O)NCCF 273464a_100150723488_100000724931 [0,2,0,0,0,0|2,0,0]=4 11832 B11R0.81 COCCCNC(=O)NCCO 2708a_100150723488_100000210304 [0,2,0,0,0,0|2,0,0]=4 11833 B11R0.81 COCCCNC(=O)NCCO 273464a_100000210304_100150723488 [0,2,0,0,0,0|2,0,0]=4 11834 B11R0.81 COCCCNC(=O)NCCO 273464a_100150723488_100000210304 [0,2,0,0,0,0|2,0,0]=4 11835 B11R0.81 COCCNCC(=O)NCCF 2230a_100000725713_100011201679 [0,2,0,0,0,0|2,0,0]=4 11836 B11R0.81 COCCOCC(=O)CCC#N 1458a_100000211095_100011215226 [0,2,0,0,0,0|2,0,0]=4 11837 B11R0.81 COCCOCC(=O)CCCF 1458a_100000211095_100011934791 [0,2,0,0,0,0|2,0,0]=4 11838 B11R0.81 COCCOCC(=O)CCCO 1458a_100000211095_100011215043 [0,2,0,0,0,0|2,0,0]=4 11839 B11R0.81 COCCOCC(=O)CCOC 1458a_100000211095_100000233755 [0,2,0,0,0,0|2,0,0]=4 11840 B11R0.81 COCCOCC(=O)CCSC 1458a_100000211095_100000751147 [0,2,0,0,0,0|2,0,0]=4 11841 B11R0.81 COCCOCC(=O)NCCF 11a_100000724931_100000211095 [0,2,0,0,0,0|2,0,0]=4 11842 B11R0.81 COCCOCC(=O)NCCF 1626a_100000724931_100000211095 [0,2,0,0,0,0|2,0,0]=4 11843 B11R0.81 COCCOCC(=O)NCCF 240690a_100000724931_100000211095 [0,2,0,0,0,0|2,0,0]=4 11844 B11R0.81 COCCOCC(=O)NCCF 527a_100000724931_100000211095 [0,2,0,0,0,0|2,0,0]=4 11845 B11R0.81 COCCOCC(=O)NCCO 240690a_100000210304_100000211095 [0,2,0,0,0,0|2,0,0]=4 11846 B11R0.81 COCCOCC(=O)NCCO 527a_100000210304_100000211095 [0,2,0,0,0,0|2,0,0]=4 11847 B11R0.81 CSCCC(=O)CCCCC#N 1458a_100000174002_100000211819 [0,2,0,0,0,0|1,0,1]=4 11848 B11R0.81 CSCCC(=O)CCCCCF 1458a_100000174002_100000729378 [0,2,0,0,0,0|1,0,0]=3 11849 B11R0.81 CSCCC(=O)CCCCCO 1458a_100000174002_100000746330 [0,2,0,0,0,0|1,0,0]=3 11850 B11R0.81 CSCCC(=O)CCCCCO 1458a_100102619762_100000751147 [0,2,0,0,0,0|1,0,0]=3 11851 B11R0.81 CSCCC(=O)CCOCCO 1458a_100000174002_100011215305 [0,2,0,0,0,0|2,0,0]=4 11852 B11R0.81 CSCCC(=O)CCOCCO 1458a_100011229844_100000751147 [0,2,0,0,0,0|2,0,0]=4 11853 B11R0.81 CSCCC(=O)NCCCCO 240690a_100000750430_100000174002 [0,2,0,0,0,0|2,0,0]=4 11854 B11R0.81 CSCCC(=O)NCCCCO 527a_100000750430_100000174002 [0,2,0,0,0,0|2,0,0]=4 11855 B11R0.81 CSCCCNC(=O)CCC#N 11a_100000749238_100011934036 [0,2,0,0,0,0|2,0,0]=4 11856 B11R0.81 CSCCCNC(=O)CCC#N 1626a_100000749238_100011934036 [0,2,0,0,0,0|2,0,0]=4 11857 B11R0.81 CSCCCNC(=O)CCC#N 240690a_100000749238_100011934036 [0,2,0,0,0,0|2,0,0]=4 11858 B11R0.81 CSCCCNC(=O)CCC#N 527a_100000749238_100011934036 [0,2,0,0,0,0|2,0,0]=4 11859 B11R0.81 CSCCCNC(=O)CCSC 11a_100000749238_100000174002 [0,2,0,0,0,0|2,0,0]=4 11860 B11R0.81 CSCCCNC(=O)CCSC 1626a_100000749238_100000174002 [0,2,0,0,0,0|2,0,0]=4 11861 B11R0.81 CSCCCNC(=O)CCSC 240690a_100000749238_100000174002 [0,2,0,0,0,0|2,0,0]=4 11862 B11R0.81 CSCCCNC(=O)CCSC 527a_100000749238_100000174002 [0,2,0,0,0,0|2,0,0]=4 11863 B11R0.81 CSCCCNC(=O)NCCF 2708a_100000749238_100000724931 [0,2,0,0,0,0|2,0,0]=4 11864 B11R0.81 CSCCCNC(=O)NCCF 273464a_100000724931_100000749238 [0,2,0,0,0,0|2,0,0]=4 11865 B11R0.81 CSCCCNC(=O)NCCF 273464a_100000749238_100000724931 [0,2,0,0,0,0|2,0,0]=4 11866 B11R0.81 CSCCCNC(=O)NCCF 512a_100000749238_100000724931 [0,2,0,0,0,0|2,0,0]=4 11867 B11R0.81 CSCCCNC(=O)NCCO 2708a_100000749238_100000210304 [0,2,0,0,0,0|2,0,0]=4 11868 B11R0.81 CSCCCNC(=O)NCCO 273464a_100000210304_100000749238 [0,2,0,0,0,0|2,0,0]=4 11869 B11R0.81 CSCCCNC(=O)NCCO 273464a_100000749238_100000210304 [0,2,0,0,0,0|2,0,0]=4 11870 B11R0.81 CSCCCNC(=O)NCCO 512a_100000749238_100000210304 [0,2,0,0,0,0|2,0,0]=4 11871 B11R0.81 CSCCNCC(=O)NCCF 2230a_100000725713_100000751147 [0,2,0,0,0,0|2,0,0]=4 11872 B11R0.81 N#CCCC(=O)CCCCCF 1458a_100011934036_100000729378 [0,2,0,0,0,0|1,0,0]=3 11873 B11R0.81 N#CCCC(=O)CCCCCO 1458a_100011934036_100000746330 [0,2,0,0,0,0|1,0,0]=3 11874 B11R0.81 N#CCCC(=O)CCCCCO 1458a_100102619762_100011215226 [0,2,0,0,0,0|1,0,0]=3 11875 B11R0.81 N#CCCC(=O)CCOCCO 1458a_100011229844_100011215226 [0,2,0,0,0,0|2,0,0]=4 11876 B11R0.81 N#CCCC(=O)CCOCCO 1458a_100011934036_100011215305 [0,2,0,0,0,0|2,0,0]=4 11877 B11R0.81 N#CCCC(=O)NCCCCO 240690a_100000750430_100011934036 [0,2,0,0,0,0|2,0,0]=4 11878 B11R0.81 N#CCCC(=O)NCCCCO 527a_100000750430_100011934036 [0,2,0,0,0,0|2,0,0]=4 11879 B11R0.81 N#CCCCCC(=O)CCC#N 1458a_100011934036_100000211819 [0,2,0,0,0,0|1,0,1]=4 11880 B11R0.81 O=C(C#CCO)CCCCCF 1458a_100000049017_100000729378 [0,2,0,0,0,0|1,0,1]=4 11881 B11R0.81 O=C(C#CCO)CCCCCO 1458a_100000049017_100000746330 [0,2,0,0,0,0|1,0,1]=4 11882 B11R0.81 O=C(CCCCCO)NCCF 240690a_100000724931_100102619762 [0,2,0,0,0,0|1,0,0]=3 11883 B11R0.81 O=C(CCCCCO)NCCO 240690a_100000210304_100102619762 [0,2,0,0,0,0|1,0,0]=3 11884 B11R0.81 O=C(CCCF)CCCCCO 1458a_100102619762_100011934791 [0,2,0,0,0,0|1,0,0]=3 11885 B11R0.81 O=C(CCCF)CCOCCO 1458a_100011229844_100011934791 [0,2,0,0,0,0|2,0,0]=4 11886 B11R0.81 O=C(CCCO)CCCCCO 1458a_100102619762_100011215043 [0,2,0,0,0,0|1,0,0]=3 11887 B11R0.81 O=C(CCCO)CCOCCO 1458a_100011229844_100011215043 [0,2,0,0,0,0|2,0,0]=4 11888 B11R0.81 O=C(CCOCCO)NCCF 1626a_100000724931_100011229844 [0,2,0,0,0,0|2,0,0]=4 11889 B11R0.81 O=C(CCOCCO)NCCF 240690a_100000724931_100011229844 [0,2,0,0,0,0|2,0,0]=4 11890 B11R0.81 O=C(CCOCCO)NCCO 240690a_100000210304_100011229844 [0,2,0,0,0,0|2,0,0]=4 11891 B11R0.81 O=C(CNCCCF)NCCF 2230a_100000725713_100011934791 [0,2,0,0,0,0|2,0,0]=4 11892 B11R0.81 O=C(CNCCCO)NCCF 2230a_100000725713_100000230001 [0,2,0,0,0,0|2,0,0]=4 11893 B11R0.81 O=C(NCCF)NCCCCO 2708a_100000750430_100000724931 [0,2,0,0,0,0|2,0,0]=4 11894 B11R0.81 O=C(NCCF)NCCCCO 273464a_100000724931_100000750430 [0,2,0,0,0,0|2,0,0]=4 11895 B11R0.81 O=C(NCCF)NCCCCO 273464a_100000750430_100000724931 [0,2,0,0,0,0|2,0,0]=4 11896 B11R0.81 O=C(NCCF)NCCCCO 512a_100000750430_100000724931 [0,2,0,0,0,0|2,0,0]=4 11897 B11R0.81 O=C(NCCO)NCCCCO 2708a_100000750430_100000210304 [0,2,0,0,0,0|2,0,0]=4 11898 B11R0.81 O=C(NCCO)NCCCCO 273464a_100000210304_100000750430 [0,2,0,0,0,0|2,0,0]=4 11899 B11R0.81 O=C(NCCO)NCCCCO 273464a_100000750430_100000210304 [0,2,0,0,0,0|2,0,0]=4 11900 B11R0.81 O=C(NCCO)NCCCCO 512a_100000750430_100000210304 [0,2,0,0,0,0|2,0,0]=4 11901 B11R0.142 C#CC(=O)C(C)CCCCCC 1458a_100000211873_100011215978 [0,2,0,0,0,0|0,0,2]=4 11902 B11R0.142 C#CC(C)C(=O)C/C=C/CCC 1458a_200016266809_200000035995 [0,2,0,0,0,0|0,0,2]=4 11903 B11R0.142 C#CC(C)C(=O)C=CCCCC 1458a_100016266645_200000035995 [0,2,0,0,0,0|0,0,2]=4 11904 B11R0.142 C#CC(C)C(=O)CCCCC=C 1458a_100011215552_200000035995 [0,2,0,0,0,0|0,0,2]=4 11905 B11R0.142 C#CC(C)C(=O)CCCCCC 1458a_100102632555_200000035995 [0,2,0,0,0,0|0,0,0]=2 11906 B11R0.142 C#CC(C)C(=O)CCCCCO 1458a_100102619762_200000035995 [0,2,0,0,0,0|1,0,0]=3 11907 B11R0.142 C#CC(C)C(=O)CCOCCO 1458a_100011229844_200000035995 [0,2,0,0,0,0|2,0,0]=4 11908 B11R0.142 C#CC(C)C(=O)COCCCC 1458a_100000757543_200000035995 [0,2,0,0,0,0|1,0,0]=3 11909 B11R0.142 C#CC(C)C(=O)COCCOC 1458a_100000211095_200000035995 [0,2,0,0,0,0|2,0,0]=4 11910 B11R0.142 C#CC(C)C(=O)CSCCCC 1458a_100000191162_200000035995 [0,2,0,0,0,0|1,0,0]=3 11911 B11R0.142 C#CCCCCC(=O)C(C)C#C 1458a_100000696528_200000035995 [0,2,0,0,0,0|0,0,2]=4 11912 B11R0.142 C#CCCCCC(=O)C(C)C#N 1458a_100000696528_100000703298 [0,2,0,0,0,0|0,0,2]=4 11913 B11R0.142 C#CCCCCC(=O)C(C)C#N 1458a_100000753662_100010269958 [0,2,0,0,0,0|0,0,2]=4 11914 B11R0.142 C#CCCCCC(=O)C(C)C=C 1458a_100011216780_100010269958 [0,2,0,0,0,0|0,0,2]=4 11915 B11R0.142 C#CCCCCC(=O)C(C)CC 1458a_100000696528_100000758301 [0,2,0,0,0,0|0,0,2]=4 11916 B11R0.142 C#CCCCCC(=O)C(C)CC 1458a_100011192722_100010269958 [0,2,0,0,0,0|0,0,2]=4 11917 B11R0.142 C#CCCCCC(=O)C(C)OC 1458a_100000743197_100010269958 [0,2,0,0,0,0|0,0,2]=4 11918 B11R0.142 C#CCCCCC(=O)C(C)SC 1458a_100000149566_100010269958 [0,2,0,0,0,0|0,0,2]=4 11919 B11R0.142 C#CCCCCC(=O)C(O)CC 1458a_100011196387_100010269958 [0,2,0,0,0,0|0,0,2]=4 11920 B11R0.142 C#CCCCCC(=O)C(O)CO 1458a_100011215603_100010269958 [0,2,0,0,0,0|0,0,2]=4 11921 B11R0.142 C#CCCCCC(=O)N(C)CC 11a_100000225621_100000696528 [0,2,0,0,0,0|0,0,2]=4 11922 B11R0.142 C#CCCCCC(=O)N(C)CC 1626a_100000225621_100000696528 [0,2,0,0,0,0|0,0,2]=4 11923 B11R0.142 C#CCCCCC(=O)N(C)CC 240690a_100000225621_100000696528 [0,2,0,0,0,0|0,0,2]=4 11924 B11R0.142 C#CCCCCC(=O)N(C)CC 527a_100000225621_100000696528 [0,2,0,0,0,0|0,0,2]=4 11925 B11R0.142 C#CCCCOC(C)C(=O)CC 7a_100000215630_100000742827 [0,2,0,0,0,0|0,0,2]=4 11926 B11R0.142 C#CCCCSC(C)C(=O)CC 62a_100000742827_100011215417 [0,2,0,0,0,0|0,0,2]=4 11927 B11R0.142 C#CCCCSC(C)C(=O)CC 62a_100011215417_100000742827 [0,2,0,0,0,0|0,0,2]=4 11928 B11R0.142 C/C=C(\C)/C(=O)CCCCCC 1458a_100020587367_100000210757 [0,2,0,0,0,0|0,0,1]=3 11929 B11R0.142 C/C=C(\C)/C(=O)CCCCCF 1458a_100020587367_100000729378 [0,2,0,0,0,0|1,0,1]=4 11930 B11R0.142 C/C=C(\C)/C(=O)CCCCCO 1458a_100020587367_100000746330 [0,2,0,0,0,0|1,0,1]=4 11931 B11R0.142 C/C=C(\C)/C(=O)CCCCOC 1458a_100020587367_100000755781 [0,2,0,0,0,0|1,0,1]=4 11932 B11R0.142 C/C=C(\C)/C(=O)CCCOCC 1458a_100020587367_100012232248 [0,2,0,0,0,0|1,0,1]=4 11933 B11R0.142 C/C=C(\C)/C(=O)CCOCCC 1458a_100020587367_100011215938 [0,2,0,0,0,0|1,0,1]=4 11934 B11R0.142 C/C=C(\C)/C(=O)COCCCC 1458a_100020587367_100011995733 [0,2,0,0,0,0|1,0,1]=4 11935 B11R0.142 C/C=C(\C)/C(=O)NCCCCC 11a_100000209983_100020587367 [0,2,0,0,0,0|1,0,1]=4 11936 B11R0.142 C/C=C(\C)/C(=O)NCCCCC 1626a_100000209983_100020587367 [0,2,0,0,0,0|1,0,1]=4 11937 B11R0.142 C/C=C(\C)/C(C)NCCCCC 269862a_100000209983_100020675665 [0,2,0,0,0,0|1,0,1]=4 11938 B11R0.142 C=C(COCCCC)C(=O)OC 34a_100000210227_100009813391 [0,2,0,0,0,0|1,0,1]=4 11939 B11R0.142 C=C(CSCCCC)C(=O)OC 62a_100000210211_100009813391 [0,2,0,0,0,0|1,0,1]=4 11940 B11R0.142 C=C(CSCCCC)C(=O)OC 62a_100009813391_100000210210 [0,2,0,0,0,0|1,0,1]=4 11941 B11R0.142 C=CC(=O)C(C)CCCCCC 1458a_100000185746_100011215978 [0,2,0,0,0,0|0,0,2]=4 11942 B11R0.142 C=CC(=O)N(C)CCCCCC 1626a_106256046315_100000185746 [0,2,0,0,0,0|0,0,2]=4 11943 B11R0.142 C=CC(=O)N(C)CCCCCC 240690a_106256046315_200121576911 [0,2,0,0,0,0|0,0,2]=4 11944 B11R0.142 C=CC(C)C(=O)CC/C=C\CC 1458a_100011216780_100015370543 [0,2,0,0,0,0|0,0,2]=4 11945 B11R0.142 C=CC(C)C(=O)CCCCC#N 1458a_100011216780_100000211819 [0,2,0,0,0,0|1,0,1]=4 11946 B11R0.142 C=CC(C)C(=O)CCCCCC 1458a_100011216780_100000210757 [0,2,0,0,0,0|0,0,0]=2 11947 B11R0.142 C=CC(C)C(=O)CCCCCF 1458a_100011216780_100000729378 [0,2,0,0,0,0|1,0,0]=3 11948 B11R0.142 C=CC(C)C(=O)CCCCCO 1458a_100011216780_100000746330 [0,2,0,0,0,0|1,0,0]=3 11949 B11R0.142 C=CC(C)C(=O)CCCCOC 1458a_100011216780_100000755781 [0,2,0,0,0,0|1,0,0]=3 11950 B11R0.142 C=CC(C)C(=O)CCCOCC 1458a_100011216780_100012232248 [0,2,0,0,0,0|1,0,0]=3 11951 B11R0.142 C=CC(C)C(=O)CCOCCC 1458a_100011216780_100011215938 [0,2,0,0,0,0|1,0,0]=3 11952 B11R0.142 C=CC(C)C(=O)CCOCCO 1458a_100011216780_100011215305 [0,2,0,0,0,0|2,0,0]=4 11953 B11R0.142 C=CC(C)C(=O)COCCCC 1458a_100011216780_100011995733 [0,2,0,0,0,0|1,0,0]=3 11954 B11R0.142 C=CC(C)C(=O)NCCCCC 11a_100000209983_100011216780 [0,2,0,0,0,0|1,0,0]=3 11955 B11R0.142 C=CC(C)C(=O)NCCCCC 1626a_100000209983_100011216780 [0,2,0,0,0,0|1,0,0]=3 11956 B11R0.142 C=CC(C)C(=O)NCCCCC 240690a_100000209983_100011216780 [0,2,0,0,0,0|1,0,0]=3 11957 B11R0.142 C=CC(C)C(=O)NCCCCC 527a_100000209983_100011216780 [0,2,0,0,0,0|1,0,0]=3 11958 B11R0.142 C=CC(C)C(=O)NCCCCO 240690a_100000750430_100011216780 [0,2,0,0,0,0|2,0,0]=4 11959 B11R0.142 C=CC(C)C(=O)NCCCCO 527a_100000750430_100011216780 [0,2,0,0,0,0|2,0,0]=4 11960 B11R0.142 C=CC(C)C(=O)NCCCOC 1626a_100150723488_100011216780 [0,2,0,0,0,0|2,0,0]=4 11961 B11R0.142 C=CC(C)C(=O)NCCCOC 240690a_100150723488_100011216780 [0,2,0,0,0,0|2,0,0]=4 11962 B11R0.142 C=CC(C)C(=O)NCCCOC 527a_100150723488_100011216780 [0,2,0,0,0,0|2,0,0]=4 11963 B11R0.142 C=CC(C)C(=O)NCCCSC 11a_100000749238_100011216780 [0,2,0,0,0,0|2,0,0]=4 11964 B11R0.142 C=CC(C)C(=O)NCCCSC 1626a_100000749238_100011216780 [0,2,0,0,0,0|2,0,0]=4 11965 B11R0.142 C=CC(C)C(=O)NCCCSC 240690a_100000749238_100011216780 [0,2,0,0,0,0|2,0,0]=4 11966 B11R0.142 C=CC(C)C(=O)NCCCSC 527a_100000749238_100011216780 [0,2,0,0,0,0|2,0,0]=4 11967 B11R0.142 C=CC(C)C(=O)NCCOCC 11a_100011200944_100011216780 [0,2,0,0,0,0|2,0,0]=4 11968 B11R0.142 C=CC(C)C(=O)NCCOCC 1626a_102516460346_100011216780 [0,2,0,0,0,0|2,0,0]=4 11969 B11R0.142 C=CC(C)C(=O)NCCOCC 240690a_100011200944_100011216780 [0,2,0,0,0,0|2,0,0]=4 11970 B11R0.142 C=CC(C)C(=O)NCCOCC 527a_100011200944_100011216780 [0,2,0,0,0,0|2,0,0]=4 11971 B11R0.142 C=CC(C)C(=O)NCCSCC 11a_100000106463_100011216780 [0,2,0,0,0,0|2,0,0]=4 11972 B11R0.142 C=CC(C)C(=O)NCCSCC 1626a_100000106463_100011216780 [0,2,0,0,0,0|2,0,0]=4 11973 B11R0.142 C=CC(C)C(=O)NCCSCC 240690a_100000106463_100011216780 [0,2,0,0,0,0|2,0,0]=4 11974 B11R0.142 C=CC(C)C(=O)NCCSCC 527a_100000106463_100011216780 [0,2,0,0,0,0|2,0,0]=4 11975 B11R0.142 C=CC(C)C(=O)NNCCCC 22a_100025702795_100011216780 [0,2,0,0,0,0|2,0,0]=4 11976 B11R0.142 C=CC(C)N(C)CCCCCC 269982a_106256046315_100011215867 [0,2,0,0,0,0|2,0,0]=4 11977 B11R0.142 C=CCCCCC(=O)C(C)C#N 1458a_100000753662_100011215482 [0,2,0,0,0,0|0,0,2]=4 11978 B11R0.142 C=CCCCCC(=O)C(C)C#N 1458a_100011215552_100000703298 [0,2,0,0,0,0|0,0,2]=4 11979 B11R0.142 C=CCCCCC(=O)C(C)C=C 1458a_100011216780_100011215482 [0,2,0,0,0,0|0,0,2]=4 11980 B11R0.142 C=CCCCCC(=O)C(C)CC 1458a_100011192722_100011215482 [0,2,0,0,0,0|0,0,2]=4 11981 B11R0.142 C=CCCCCC(=O)C(C)CC 1458a_100011215552_100000758301 [0,2,0,0,0,0|0,0,2]=4 11982 B11R0.142 C=CCCCCC(=O)C(C)OC 1458a_100000743197_100011215482 [0,2,0,0,0,0|0,0,2]=4 11983 B11R0.142 C=CCCCCC(=O)C(C)SC 1458a_100000149566_100011215482 [0,2,0,0,0,0|0,0,2]=4 11984 B11R0.142 C=CCCCCC(=O)C(O)CC 1458a_100011196387_100011215482 [0,2,0,0,0,0|0,0,2]=4 11985 B11R0.142 C=CCCCCC(=O)C(O)CO 1458a_100011215603_100011215482 [0,2,0,0,0,0|0,0,2]=4 11986 B11R0.142 C=CCCCCC(=O)N(C)CC 11a_100000225621_100011215552 [0,2,0,0,0,0|0,0,2]=4 11987 B11R0.142 C=CCCCCC(=O)N(C)CC 1626a_100000225621_100011215552 [0,2,0,0,0,0|0,0,2]=4 11988 B11R0.142 C=CCCCCC(=O)N(C)CC 240690a_100000225621_100011215552 [0,2,0,0,0,0|0,0,2]=4 11989 B11R0.142 C=CCCCCC(=O)N(C)CC 527a_100000225621_100011215552 [0,2,0,0,0,0|0,0,2]=4 11990 B11R0.142 C=CCCCCN(C)C(=O)CC 11a_100012000471_100000210414 [0,2,0,0,0,0|0,0,2]=4 11991 B11R0.142 C=CCCCCN(C)C(=O)CC 1626a_100012000471_100000210414 [0,2,0,0,0,0|0,0,2]=4 11992 B11R0.142 C=CCCCCN(C)C(=O)CC 240690a_100012000471_100000210414 [0,2,0,0,0,0|0,0,2]=4 11993 B11R0.142 C=CCCCCN(C)C(=O)CC 527a_100012000471_100000210414 [0,2,0,0,0,0|0,0,2]=4 11994 B11R0.142 C=CCCCNC(C)C(=O)CC 2230a_100000700776_100000742827 [0,2,0,0,0,0|0,0,2]=4 11995 B11R0.142 C=CCCCOC(C)C(=O)CC 7a_100000758997_100000742827 [0,2,0,0,0,0|0,0,2]=4 11996 B11R0.142 C=CCCCSC(C)C(=O)CC 62a_100000742827_100000757094 [0,2,0,0,0,0|0,0,2]=4 11997 B11R0.142 C=CCCCSC(C)C(=O)CC 62a_100011713584_100000742827 [0,2,0,0,0,0|0,0,2]=4 11998 B11R0.142 CC(C#N)C(=O)CCCCC#N 1458a_100000753662_100000211819 [0,2,0,0,0,0|1,0,1]=4 11999 B11R0.142 CC(C#N)C(=O)CCCCCF 1458a_100000753662_100000729378 [0,2,0,0,0,0|1,0,0]=3 12000 B11R0.142 CC(C#N)C(=O)CCCCCO 1458a_100000753662_100000746330 [0,2,0,0,0,0|1,0,0]=3 12001 B11R0.142 CC(C#N)C(=O)CCCCCO 1458a_100102619762_100000703298 [0,2,0,0,0,0|1,0,0]=3 12002 B11R0.142 CC(C#N)C(=O)CCOCCO 1458a_100000753662_100011215305 [0,2,0,0,0,0|2,0,0]=4 12003 B11R0.142 CC(C#N)C(=O)CCOCCO 1458a_100011229844_100000703298 [0,2,0,0,0,0|2,0,0]=4 12004 B11R0.142 CC(C#N)C(=O)NCCCCO 240690a_100000750430_100000753662 [0,2,0,0,0,0|2,0,0]=4 12005 B11R0.142 CC(C#N)C(=O)NCCCCO 527a_100000750430_100000753662 [0,2,0,0,0,0|2,0,0]=4 12006 B11R0.142 CC/C=C\CCC(=O)C(C)C#N 1458a_100000753662_100015370543 [0,2,0,0,0,0|0,0,2]=4 12007 B11R0.142 CC/C=C\CCC(=O)C(C)CC 1458a_100011192722_100015370543 [0,2,0,0,0,0|0,0,2]=4 12008 B11R0.142 CC/C=C\CCC(=O)C(C)OC 1458a_100000743197_100015370543 [0,2,0,0,0,0|0,0,2]=4 12009 B11R0.142 CC/C=C\CCC(=O)C(C)SC 1458a_100000149566_100015370543 [0,2,0,0,0,0|0,0,2]=4 12010 B11R0.142 CC/C=C\CCC(=O)C(O)CC 1458a_100011196387_100015370543 [0,2,0,0,0,0|0,0,2]=4 12011 B11R0.142 CC/C=C\CCC(=O)C(O)CO 1458a_100011215603_100015370543 [0,2,0,0,0,0|0,0,2]=4 12012 B11R0.142 CC/C=C\CSC(C)C(=O)CC 62a_100000742827_100103147603 [0,2,0,0,0,0|0,0,2]=4 12013 B11R0.142 CC/C=C\CSC(C)C(=O)CC 62a_100103147603_100000742827 [0,2,0,0,0,0|0,0,2]=4 12014 B11R0.142 CCC#CCSC(C)C(=O)CC 62a_100000742827_100009813939 [0,2,0,0,0,0|0,0,2]=4 12015 B11R0.142 CCC#CCSC(C)C(=O)CC 62a_100009813939_100000742827 [0,2,0,0,0,0|0,0,2]=4 12016 B11R0.142 CCC(=O)C(C)NCCCCO 2230a_100000750430_100000742827 [0,2,0,0,0,0|1,0,0]=3 12017 B11R0.142 CCC(=O)C(C)NCCCSC 2230a_100000749238_100000742827 [0,2,0,0,0,0|1,0,0]=3 12018 B11R0.142 CCC(=O)C(C)OCCCCCl 7a_100000210776_100000742827 [0,2,0,0,0,0|1,0,0]=3 12019 B11R0.142 CCC(=O)C(C)OCCCCF 7a_100011995726_100000742827 [0,2,0,0,0,0|1,0,0]=3 12020 B11R0.142 CCC(=O)C(C)OCCCSC 7a_100000690336_100000742827 [0,2,0,0,0,0|1,0,0]=3 12021 B11R0.142 CCC(=O)C(C)SCCCC#N 62a_100000687738_100000742827 [0,2,0,0,0,0|1,0,1]=4 12022 B11R0.142 CCC(=O)C(C)SCCCC#N 62a_100000742827_100000687738 [0,2,0,0,0,0|1,0,1]=4 12023 B11R0.142 CCC(=O)C(C)SCCCC=O 62a_100000742827_200011292268 [0,2,0,0,0,0|1,0,1]=4 12024 B11R0.142 CCC(=O)C(C)SCCCC=O 62a_200011292268_100000742827 [0,2,0,0,0,0|1,0,1]=4 12025 B11R0.142 CCC(=O)C(C)SCCCCF 62a_100000729493_100000742827 [0,2,0,0,0,0|1,0,0]=3 12026 B11R0.142 CCC(=O)C(C)SCCCCF 62a_100000742827_100000729493 [0,2,0,0,0,0|1,0,0]=3 12027 B11R0.142 CCC(=O)C(C)SCCCCO 62a_100000210776_100000742827 [0,2,0,0,0,0|1,0,0]=3 12028 B11R0.142 CCC(=O)C(C)SCCCCO 62a_100000742827_100000210776 [0,2,0,0,0,0|1,0,0]=3 12029 B11R0.142 CCC(=O)C(C)SCCCOC 62a_100000709357_100000742827 [0,2,0,0,0,0|1,0,0]=3 12030 B11R0.142 CCC(=O)C(C)SCCCOC 62a_100000742827_100000709357 [0,2,0,0,0,0|1,0,0]=3 12031 B11R0.142 CCC(=O)N(C)CCCCCO 240690a_100000722520_100000210414 [0,2,0,0,0,0|1,0,0]=3 12032 B11R0.142 CCC(=O)N(C)CCOCCO 240690a_100000228057_100000210414 [0,2,0,0,0,0|2,0,0]=4 12033 B11R0.142 CCC(C)C(=O)CCCCC#N 1458a_100011192722_100000211819 [0,2,0,0,0,0|1,0,1]=4 12034 B11R0.142 CCC(C)C(=O)CCCCCF 1458a_100011192722_100000729378 [0,2,0,0,0,0|1,0,0]=3 12035 B11R0.142 CCC(C)C(=O)CCCCCO 1458a_100011192722_100000746330 [0,2,0,0,0,0|1,0,0]=3 12036 B11R0.142 CCC(C)C(=O)CCCCCO 1458a_100102619762_100000758301 [0,2,0,0,0,0|1,0,0]=3 12037 B11R0.142 CCC(C)C(=O)CCCCOC 1458a_100011192722_100000755781 [0,2,0,0,0,0|1,0,0]=3 12038 B11R0.142 CCC(C)C(=O)CCOCCO 1458a_100011192722_100011215305 [0,2,0,0,0,0|2,0,0]=4 12039 B11R0.142 CCC(C)C(=O)CCOCCO 1458a_100011229844_100000758301 [0,2,0,0,0,0|2,0,0]=4 12040 B11R0.142 CCC(C)C(=O)COCCOC 1458a_100000211095_100000758301 [0,2,0,0,0,0|2,0,0]=4 12041 B11R0.142 CCC(C)C(=O)NCCCCO 240690a_100000750430_100011192722 [0,2,0,0,0,0|2,0,0]=4 12042 B11R0.142 CCC(C)C(=O)NCCCCO 527a_100000750430_100011192722 [0,2,0,0,0,0|2,0,0]=4 12043 B11R0.142 CCC(C)C(=O)NCCCOC 1626a_100150723488_100011192722 [0,2,0,0,0,0|2,0,0]=4 12044 B11R0.142 CCC(C)C(=O)NCCCOC 240690a_100150723488_100011192722 [0,2,0,0,0,0|2,0,0]=4 12045 B11R0.142 CCC(C)C(=O)NCCCOC 527a_100150723488_100011192722 [0,2,0,0,0,0|2,0,0]=4 12046 B11R0.142 CCC(C)C(=O)NCCCSC 11a_100000749238_100011192722 [0,2,0,0,0,0|2,0,0]=4 12047 B11R0.142 CCC(C)C(=O)NCCCSC 1626a_100000749238_100011192722 [0,2,0,0,0,0|2,0,0]=4 12048 B11R0.142 CCC(C)C(=O)NCCCSC 240690a_100000749238_100011192722 [0,2,0,0,0,0|2,0,0]=4 12049 B11R0.142 CCC(C)C(=O)NCCCSC 527a_100000749238_100011192722 [0,2,0,0,0,0|2,0,0]=4 12050 B11R0.142 CCC(O)C(=O)CCCCC#N 1458a_100011196387_100000211819 [0,2,0,0,0,0|1,0,1]=4 12051 B11R0.142 CCC(O)C(=O)CCCCCF 1458a_100011196387_100000729378 [0,2,0,0,0,0|1,0,0]=3 12052 B11R0.142 CCC(O)C(=O)CCCCCO 1458a_100011196387_100000746330 [0,2,0,0,0,0|1,0,0]=3 12053 B11R0.142 CCC(O)C(=O)CCCCOC 1458a_100011196387_100000755781 [0,2,0,0,0,0|1,0,0]=3 12054 B11R0.142 CCC(O)C(=O)CCOCCO 1458a_100011196387_100011215305 [0,2,0,0,0,0|2,0,0]=4 12055 B11R0.142 CCC(O)C(=O)NCCCCO 240690a_100000750430_100011196387 [0,2,0,0,0,0|2,0,0]=4 12056 B11R0.142 CCC(O)C(=O)NCCCOC 240690a_100150723488_100011196387 [0,2,0,0,0,0|2,0,0]=4 12057 B11R0.142 CCC(O)C(=O)NCCCSC 240690a_100000749238_100011196387 [0,2,0,0,0,0|2,0,0]=4 12058 B11R0.142 CCC/C=C/CC(=O)C(C)C#N 1458a_200016266809_100000703298 [0,2,0,0,0,0|0,0,2]=4 12059 B11R0.142 CCC/C=C/CC(=O)C(C)CC 1458a_200016266809_100000758301 [0,2,0,0,0,0|0,0,2]=4 12060 B11R0.142 CCC/C=C/CC(=O)N(C)CC 11a_100000225621_200016266809 [0,2,0,0,0,0|0,0,2]=4 12061 B11R0.142 CCC/C=C/CC(=O)N(C)CC 1626a_100000225621_200016266809 [0,2,0,0,0,0|0,0,2]=4 12062 B11R0.142 CCC/C=C/CC(=O)N(C)CC 240690a_100000225621_200016266809 [0,2,0,0,0,0|0,0,2]=4 12063 B11R0.142 CCC/C=C/CC(=O)N(C)CC 527a_100000225621_200016266809 [0,2,0,0,0,0|0,0,2]=4 12064 B11R0.142 CCCCC=CC(=O)C(C)C#N 1458a_100016266645_100000703298 [0,2,0,0,0,0|0,0,2]=4 12065 B11R0.142 CCCCC=CC(=O)C(C)CC 1458a_100016266645_100000758301 [0,2,0,0,0,0|0,0,2]=4 12066 B11R0.142 CCCCC=CC(=O)N(C)CC 11a_100000225621_100016266645 [0,2,0,0,0,0|0,0,2]=4 12067 B11R0.142 CCCCC=CC(=O)N(C)CC 1626a_100000225621_100016266645 [0,2,0,0,0,0|0,0,2]=4 12068 B11R0.142 CCCCC=CC(=O)N(C)CC 240690a_100000225621_100016266645 [0,2,0,0,0,0|0,0,2]=4 12069 B11R0.142 CCCCCCC(=O)C(=O)NC 1458a_100011218921_100000210757 [0,2,0,0,0,0|0,0,1]=3 12070 B11R0.142 CCCCCCC(=O)C(C)C#N 1458a_100000753662_100000210757 [0,2,0,0,0,0|0,0,0]=2 12071 B11R0.142 CCCCCCC(=O)C(C)C#N 1458a_100102632555_100000703298 [0,2,0,0,0,0|0,0,0]=2 12072 B11R0.142 CCCCCCC(=O)C(C)CC 1458a_100011192722_100000210757 [0,2,0,0,0,0|0,0,0]=2 12073 B11R0.142 CCCCCCC(=O)C(C)CC 1458a_100102632555_100000758301 [0,2,0,0,0,0|0,0,0]=2 12074 B11R0.142 CCCCCCC(=O)C(C)OC 1458a_100000743197_100000210757 [0,2,0,0,0,0|0,0,0]=2 12075 B11R0.142 CCCCCCC(=O)C(C)SC 1458a_100000149566_100000210757 [0,2,0,0,0,0|0,0,0]=2 12076 B11R0.142 CCCCCCC(=O)C(O)CC 1458a_100011196387_100000210757 [0,2,0,0,0,0|0,0,0]=2 12077 B11R0.142 CCCCCCC(=O)C(O)CO 1458a_100011215603_100000210757 [0,2,0,0,0,0|0,0,0]=2 12078 B11R0.142 CCCCCCC(=O)N(C)CC 11a_100000225621_100102632555 [0,2,0,0,0,0|0,0,0]=2 12079 B11R0.142 CCCCCCC(=O)N(C)CC 1626a_100000225621_100102632555 [0,2,0,0,0,0|0,0,0]=2 12080 B11R0.142 CCCCCCC(=O)N(C)CC 240690a_100000225621_100102632555 [0,2,0,0,0,0|0,0,0]=2 12081 B11R0.142 CCCCCCC(=O)N(C)CC 527a_100000225621_100102632555 [0,2,0,0,0,0|0,0,0]=2 12082 B11R0.142 CCCCCCC(C)C(=O)CC 1458a_100000210414_100011215978 [0,2,0,0,0,0|0,0,0]=2 12083 B11R0.142 CCCCCCC(C)C(=O)CO 1458a_100000210174_100011215978 [0,2,0,0,0,0|1,0,0]=3 12084 B11R0.142 CCCCCCC(C)N(C)CC 2230a_100000225621_100011215978 [0,2,0,0,0,0|1,0,1]=4 12085 B11R0.142 CCCCCCC(C)N(C)CC 269982a_100000225621_100011215978 [0,2,0,0,0,0|1,0,1]=4 12086 B11R0.142 CCCCCCC(O)C(=O)CC 1458a_100011215828_100000210202 [0,2,0,0,0,0|0,0,0]=2 12087 B11R0.142 CCCCCCC(O)C(=O)CF 1458a_100011215828_100015361967 [0,2,0,0,0,0|1,0,0]=3 12088 B11R0.142 CCCCCCC(O)C(=O)NC 240690a_100102657272_100011215828 [0,2,0,0,0,0|1,0,0]=3 12089 B11R0.142 CCCCCCN(C)C(=O)CC 11a_106256046315_100000210414 [0,2,0,0,0,0|0,0,0]=2 12090 B11R0.142 CCCCCCN(C)C(=O)CC 1626a_106256046315_100000210414 [0,2,0,0,0,0|0,0,0]=2 12091 B11R0.142 CCCCCCN(C)C(=O)CC 240690a_106256046315_100000210414 [0,2,0,0,0,0|0,0,0]=2 12092 B11R0.142 CCCCCCN(C)C(=O)CC 527a_106256046315_100000210414 [0,2,0,0,0,0|0,0,0]=2 12093 B11R0.142 CCCCCCN(C)C(=O)CO 240690a_106256046315_100000210174 [0,2,0,0,0,0|1,0,0]=3 12094 B11R0.142 CCCCCCN(C)C(=O)CO 527a_106256046315_100000210174 [0,2,0,0,0,0|1,0,0]=3 12095 B11R0.142 CCCCCCN(C)C(=O)NC 2708a_100102657272_106256046315 [0,2,0,0,0,0|1,0,0]=3 12096 B11R0.142 CCCCCCN(C)C(=O)NC 273464a_100102657272_106256046315 [0,2,0,0,0,0|1,0,0]=3 12097 B11R0.142 CCCCCCN(C)C(C)C#N 2230a_106256046315_100000184139 [0,2,0,0,0,0|2,0,0]=4 12098 B11R0.142 CCCCCCN(C)C(C)C#N 269982a_106256046315_100000703298 [0,2,0,0,0,0|2,0,0]=4 12099 B11R0.142 CCCCCCN(C)C(C)CC 2230a_100000741768_100000210314 [0,2,0,0,0,0|1,0,1]=4 12100 B11R0.142 CCCCCCN(C)C(C)CC 2230a_106256046315_100000758301 [0,2,0,0,0,0|1,0,1]=4 12101 B11R0.142 CCCCCCN(C)C(C)CC 269982a_100000741768_100000210757 [0,2,0,0,0,0|1,0,1]=4 12102 B11R0.142 CCCCCCN(C)C(C)CC 269982a_106256046315_100000758301 [0,2,0,0,0,0|1,0,1]=4 12103 B11R0.142 CCCCCCN(C)C(C)CO 2230a_100000693034_100000210314 [0,2,0,0,0,0|2,0,0]=4 12104 B11R0.142 CCCCCCN(C)C(C)CO 2230a_106256046315_100012180447 [0,2,0,0,0,0|2,0,0]=4 12105 B11R0.142 CCCCCCN(C)C(C)CO 269982a_100000693034_100000210757 [0,2,0,0,0,0|2,0,0]=4 12106 B11R0.142 CCCCCCN(C)C(C)OC 269982a_106256046315_100009879195 [0,2,0,0,0,0|2,0,0]=4 12107 B11R0.142 CCCCCCN(C)[C@H](C)CO 269982a_106256046315_100016084084 [0,2,0,0,0,0|2,0,0]=4 12108 B11R0.142 CCCCCNC(=O)C(=O)NC 1626a_100000209983_100011218921 [0,2,0,0,0,0|1,0,1]=4 12109 B11R0.142 CCCCCNC(=O)C(=O)NC 240690a_100000209983_100011218921 [0,2,0,0,0,0|1,0,1]=4 12110 B11R0.142 CCCCCNC(=O)C(=O)NC 527a_100000209983_100011218921 [0,2,0,0,0,0|1,0,1]=4 12111 B11R0.142 CCCCCNC(=O)C(=O)OC 11a_100000209983_100000024059 [0,2,0,0,0,0|1,0,1]=4 12112 B11R0.142 CCCCCNC(=O)C(=O)OC 1626a_100000209983_100000024059 [0,2,0,0,0,0|1,0,1]=4 12113 B11R0.142 CCCCCNC(=O)C(=O)OC 240690a_100000209983_100000024059 [0,2,0,0,0,0|1,0,1]=4 12114 B11R0.142 CCCCCNC(=O)C(=O)OC 527a_100000209983_100000024059 [0,2,0,0,0,0|1,0,1]=4 12115 B11R0.142 CCCCCNC(=O)C(C)C#N 11a_100000209983_100000753662 [0,2,0,0,0,0|1,0,0]=3 12116 B11R0.142 CCCCCNC(=O)C(C)C#N 1626a_100000209983_100000753662 [0,2,0,0,0,0|1,0,0]=3 12117 B11R0.142 CCCCCNC(=O)C(C)C#N 240690a_100000209983_100000753662 [0,2,0,0,0,0|1,0,0]=3 12118 B11R0.142 CCCCCNC(=O)C(C)C#N 527a_100000209983_100000753662 [0,2,0,0,0,0|1,0,0]=3 12119 B11R0.142 CCCCCNC(=O)C(C)CC 11a_100000209983_100011192722 [0,2,0,0,0,0|1,0,0]=3 12120 B11R0.142 CCCCCNC(=O)C(C)CC 1626a_100000209983_100011192722 [0,2,0,0,0,0|1,0,0]=3 12121 B11R0.142 CCCCCNC(=O)C(C)CC 240690a_100000209983_100011192722 [0,2,0,0,0,0|1,0,0]=3 12122 B11R0.142 CCCCCNC(=O)C(C)CC 527a_100000209983_100011192722 [0,2,0,0,0,0|1,0,0]=3 12123 B11R0.142 CCCCCNC(=O)C(C)NC 2230a_106832991635_100000735910 [0,2,0,0,0,0|1,0,0]=3 12124 B11R0.142 CCCCCNC(=O)C(C)NC 7a_106832991635_100000735910 [0,2,0,0,0,0|1,0,0]=3 12125 B11R0.142 CCCCCNC(=O)C(C)OC 11a_100000209983_100000743197 [0,2,0,0,0,0|1,0,0]=3 12126 B11R0.142 CCCCCNC(=O)C(C)OC 1626a_100000209983_100000743197 [0,2,0,0,0,0|1,0,0]=3 12127 B11R0.142 CCCCCNC(=O)C(C)OC 240690a_100000209983_100000743197 [0,2,0,0,0,0|1,0,0]=3 12128 B11R0.142 CCCCCNC(=O)C(C)OC 527a_100000209983_100000743197 [0,2,0,0,0,0|1,0,0]=3 12129 B11R0.142 CCCCCNC(=O)C(C)SC 11a_100000209983_100000149566 [0,2,0,0,0,0|1,0,0]=3 12130 B11R0.142 CCCCCNC(=O)C(C)SC 1626a_100000209983_100000149566 [0,2,0,0,0,0|1,0,0]=3 12131 B11R0.142 CCCCCNC(=O)C(C)SC 240690a_100000209983_100000149566 [0,2,0,0,0,0|1,0,0]=3 12132 B11R0.142 CCCCCNC(=O)C(C)SC 527a_100000209983_100000149566 [0,2,0,0,0,0|1,0,0]=3 12133 B11R0.142 CCCCCNC(=O)C(C)SC 62a_100000735910_200000210301 [0,2,0,0,0,0|1,0,0]=3 12134 B11R0.142 CCCCCNC(=O)C(C)SC 62a_200000210301_100000735910 [0,2,0,0,0,0|1,0,0]=3 12135 B11R0.142 CCCCCNC(=O)C(C)S[13CH3] 62a_100000735910_200025704644 [0,2,0,0,0,0|1,0,0]=3 12136 B11R0.142 CCCCCNC(=O)C(C)S[13CH3] 62a_200025704644_100000735910 [0,2,0,0,0,0|1,0,0]=3 12137 B11R0.142 CCCCCNC(=O)C(O)CC 240690a_100000209983_100011196387 [0,2,0,0,0,0|1,0,0]=3 12138 B11R0.142 CCCCCNC(=O)C(O)CO 240690a_100000209983_100011215603 [0,2,0,0,0,0|1,0,0]=3 12139 B11R0.142 CCCCCNC(=O)N(C)CC 2708a_100000209983_100000225621 [0,2,0,0,0,0|1,0,0]=3 12140 B11R0.142 CCCCCNC(=O)N(C)CC 273464a_100000209983_100000225621 [0,2,0,0,0,0|1,0,0]=3 12141 B11R0.142 CCCCCNC(C)C(=O)CC 2230a_100000209983_100000742827 [0,2,0,0,0,0|0,0,0]=2 12142 B11R0.142 CCCCCNC(C)C(=O)NC 2230a_100000209983_100000731044 [0,2,0,0,0,0|1,0,0]=3 12143 B11R0.142 CCCCCNC(C)C(=O)OC 2230a_100000209983_100000211248 [0,2,0,0,0,0|1,0,0]=3 12144 B11R0.142 CCCCCNC(C)C(C)CC 269862a_100000209983_100000210599 [0,2,0,0,0,0|1,0,1]=4 12145 B11R0.142 CCCCCNC(C)C(C)CC 270004a_100000209983_100000210599 [0,2,0,0,0,0|1,0,1]=4 12146 B11R0.142 CCCCCNC(F)C(=O)NC 2230a_100000209983_100009813575 [0,2,0,0,0,0|1,0,0]=3 12147 B11R0.142 CCCCCN[C@H](C)C(=O)NC 2230a_100000684985_100000210326 [0,2,0,0,0,0|1,0,0]=3 12148 B11R0.142 CCCCCN[C@H](C)C(=O)NC 34a_100000684985_100000718602 [0,2,0,0,0,0|1,0,0]=3 12149 B11R0.142 CCCCCOC(C)C(=O)CC 7a_100000210253_100000742827 [0,2,0,0,0,0|0,0,0]=2 12150 B11R0.142 CCCCCOC(C)C(=O)NC 34a_100000210253_100000731044 [0,2,0,0,0,0|1,0,0]=3 12151 B11R0.142 CCCCCOC(C)C(=O)NC 7a_100000210253_100000209862 [0,2,0,0,0,0|1,0,0]=3 12152 B11R0.142 CCCCCOC(C)C(=O)NN 34a_100000725659_100000718602 [0,2,0,0,0,0|2,0,0]=4 12153 B11R0.142 CCCCCOC(C)C(=O)OC 34a_100000210253_100000211248 [0,2,0,0,0,0|1,0,0]=3 12154 B11R0.142 CCCCCOC(C)C(=O)OC 34a_100011215400_100000718602 [0,2,0,0,0,0|1,0,0]=3 12155 B11R0.142 CCCCCOC(C)C(=O)OC 7a_100000210253_100000211248 [0,2,0,0,0,0|1,0,0]=3 12156 B11R0.142 CCCCCOC(C)C(C)CC 7a_100011215189_100000210326 [0,2,0,0,0,0|1,0,1]=4 12157 B11R0.142 CCCCCOC(F)C(=O)NC 34a_100000210253_100009813575 [0,2,0,0,0,0|1,0,0]=3 12158 B11R0.142 CCCCCOC(F)C(=O)NC 7a_100000210253_100009813575 [0,2,0,0,0,0|1,0,0]=3 12159 B11R0.142 CCCCCSC(C)C(=O)CC 62a_100000210326_100000742827 [0,2,0,0,0,0|0,0,0]=2 12160 B11R0.142 CCCCCSC(C)C(=O)CC 62a_100000742827_100000210326 [0,2,0,0,0,0|0,0,0]=2 12161 B11R0.142 CCCCCSC(C)C(=O)NC 62a_100000209862_100000210326 [0,2,0,0,0,0|1,0,0]=3 12162 B11R0.142 CCCCCSC(C)C(=O)NC 62a_100000210326_100000731044 [0,2,0,0,0,0|1,0,0]=3 12163 B11R0.142 CCCCCSC(C)C(=O)OC 62a_100000210326_100000211248 [0,2,0,0,0,0|1,0,0]=3 12164 B11R0.142 CCCCCSC(C)C(=O)OC 62a_100000211248_100000210326 [0,2,0,0,0,0|1,0,0]=3 12165 B11R0.142 CCCCCSC(F)C(=O)NC 62a_100000210326_100009813575 [0,2,0,0,0,0|1,0,0]=3 12166 B11R0.142 CCCCCSC(F)C(=O)NC 62a_100009813575_100000210326 [0,2,0,0,0,0|1,0,0]=3 12167 B11R0.142 CCCCNCC(=O)N(C)CC 2230a_100000102301_100000738999 [0,2,0,0,0,0|1,0,0]=3 12168 B11R0.142 CCCCNCC(=O)N(C)CC 7a_106832991798_100000738999 [0,2,0,0,0,0|1,0,0]=3 12169 B11R0.142 CCCCNCC(=O)N(C)OC 2230a_100000102301_100000764215 [0,2,0,0,0,0|2,0,0]=4 12170 B11R0.142 CCCCNCC(=O)N(C)OC 2230a_100015207273_100000210211 [0,2,0,0,0,0|2,0,0]=4 12171 B11R0.142 CCCCNCC(=O)N(C)OC 7a_106832991798_100000764215 [0,2,0,0,0,0|2,0,0]=4 12172 B11R0.142 CCCCNCC(C)C(=O)NC 2230a_100015187722_100000210211 [0,2,0,0,0,0|1,0,0]=3 12173 B11R0.142 CCCCNCC(C)C(=O)NC 34a_100015187722_100000210210 [0,2,0,0,0,0|1,0,0]=3 12174 B11R0.142 CCCCNNC(=O)C(C)C#N 22a_100025702795_100000753662 [0,2,0,0,0,0|2,0,0]=4 12175 B11R0.142 CCCCNNC(=O)C(C)CC 22a_100025702795_100011192722 [0,2,0,0,0,0|2,0,0]=4 12176 B11R0.142 CCCCNNC(=O)C(C)OC 22a_100025702795_100000743197 [0,2,0,0,0,0|2,0,0]=4 12177 B11R0.142 CCCCNNC(=O)C(C)SC 22a_100025702795_100000149566 [0,2,0,0,0,0|2,0,0]=4 12178 B11R0.142 CCCCNNC(=O)C(O)CC 22a_100025702795_100011196387 [0,2,0,0,0,0|2,0,0]=4 12179 B11R0.142 CCCCNNC(=O)C(O)CO 22a_100025702795_100011215603 [0,2,0,0,0,0|2,0,0]=4 12180 B11R0.142 CCCCOCC(=O)C(=O)NC 1458a_100011218921_100011995733 [0,2,0,0,0,0|1,0,1]=4 12181 B11R0.142 CCCCOCC(=O)C(=O)OC 34a_100000210227_100011610305 [0,2,0,0,0,0|1,0,1]=4 12182 B11R0.142 CCCCOCC(=O)C(C)C#N 1458a_100000753662_100011995733 [0,2,0,0,0,0|1,0,0]=3 12183 B11R0.142 CCCCOCC(=O)C(C)C#N 1458a_100000757543_100000703298 [0,2,0,0,0,0|1,0,0]=3 12184 B11R0.142 CCCCOCC(=O)C(C)CC 1458a_100000757543_100000758301 [0,2,0,0,0,0|1,0,0]=3 12185 B11R0.142 CCCCOCC(=O)C(C)CC 1458a_100011192722_100011995733 [0,2,0,0,0,0|1,0,0]=3 12186 B11R0.142 CCCCOCC(=O)C(C)OC 1458a_100000743197_100011995733 [0,2,0,0,0,0|1,0,0]=3 12187 B11R0.142 CCCCOCC(=O)C(C)SC 1458a_100000149566_100011995733 [0,2,0,0,0,0|1,0,0]=3 12188 B11R0.142 CCCCOCC(=O)C(O)CC 1458a_100011196387_100011995733 [0,2,0,0,0,0|1,0,0]=3 12189 B11R0.142 CCCCOCC(=O)C(O)CO 1458a_100011215603_100011995733 [0,2,0,0,0,0|1,0,0]=3 12190 B11R0.142 CCCCOCC(=O)N(C)CC 11a_100000225621_100000757543 [0,2,0,0,0,0|1,0,0]=3 12191 B11R0.142 CCCCOCC(=O)N(C)CC 1626a_100000225621_100000757543 [0,2,0,0,0,0|1,0,0]=3 12192 B11R0.142 CCCCOCC(=O)N(C)CC 240690a_100000225621_100000757543 [0,2,0,0,0,0|1,0,0]=3 12193 B11R0.142 CCCCOCC(=O)N(C)CC 34a_100000210227_100000738999 [0,2,0,0,0,0|1,0,0]=3 12194 B11R0.142 CCCCOCC(=O)N(C)CC 527a_100000225621_100000757543 [0,2,0,0,0,0|1,0,0]=3 12195 B11R0.142 CCCCOCC(=O)N(C)CC 7a_100000210227_100000738999 [0,2,0,0,0,0|1,0,0]=3 12196 B11R0.142 CCCCOCC(=O)N(C)OC 7a_100000210227_100000764215 [0,2,0,0,0,0|2,0,0]=4 12197 B11R0.142 CCCCOCC(C)C(=O)OC 34a_100000210227_100000698445 [0,2,0,0,0,0|1,0,0]=3 12198 B11R0.142 CCCCOCC(C)C(=O)OC 34a_100000749362_100000210210 [0,2,0,0,0,0|1,0,0]=3 12199 B11R0.142 CCCCOCC(C)C(=O)OC 7a_100000749362_100000210211 [0,2,0,0,0,0|1,0,0]=3 12200 B11R0.142 CCCCOCC(C)N(C)CC 7a_100000732741_100000210211 [0,2,0,0,0,0|2,0,0]=4 12201 B11R0.142 CCCCOCC(F)C(=O)OC 34a_200009849844_100000210210 [0,2,0,0,0,0|1,0,0]=3 12202 B11R0.142 CCCCOCC(N)C(=O)NN 34a_100016989258_100000210210 [0,2,0,0,0,0|2,0,0]=4 12203 B11R0.142 CCCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210210 [0,2,0,0,0,0|1,0,0]=3 12204 B11R0.142 CCCCSCC(=O)C(=O)OC 62a_100000210211_100011610305 [0,2,0,0,0,0|1,0,1]=4 12205 B11R0.142 CCCCSCC(=O)C(=O)OC 62a_100011610305_100000210210 [0,2,0,0,0,0|1,0,1]=4 12206 B11R0.142 CCCCSCC(=O)C(C)C#N 1458a_100000191162_100000703298 [0,2,0,0,0,0|1,0,0]=3 12207 B11R0.142 CCCCSCC(=O)C(C)CC 1458a_100000191162_100000758301 [0,2,0,0,0,0|1,0,0]=3 12208 B11R0.142 CCCCSCC(=O)N(C)CC 11a_100000225621_100000191162 [0,2,0,0,0,0|1,0,0]=3 12209 B11R0.142 CCCCSCC(=O)N(C)CC 1626a_100000225621_100000191162 [0,2,0,0,0,0|1,0,0]=3 12210 B11R0.142 CCCCSCC(=O)N(C)CC 240690a_100000225621_100000191162 [0,2,0,0,0,0|1,0,0]=3 12211 B11R0.142 CCCCSCC(=O)N(C)CC 527a_100000225621_100000191162 [0,2,0,0,0,0|1,0,0]=3 12212 B11R0.142 CCCCSCC(=O)N(C)CC 62a_100000210211_100000738999 [0,2,0,0,0,0|1,0,0]=3 12213 B11R0.142 CCCCSCC(=O)N(C)CC 62a_100000738999_100000210210 [0,2,0,0,0,0|1,0,0]=3 12214 B11R0.142 CCCCSCC(=O)N(C)OC 62a_100000210211_100000764215 [0,2,0,0,0,0|2,0,0]=4 12215 B11R0.142 CCCCSCC(=O)N(C)OC 62a_100000764215_100000210210 [0,2,0,0,0,0|2,0,0]=4 12216 B11R0.142 CCCCSCC(C)C(=O)OC 62a_100000210211_100000698445 [0,2,0,0,0,0|1,0,0]=3 12217 B11R0.142 CCCCSCC(C)C(=O)OC 62a_100000698445_100000210210 [0,2,0,0,0,0|1,0,0]=3 12218 B11R0.142 CCCOCCC(=O)C(=O)NC 1458a_100011218921_100011215938 [0,2,0,0,0,0|1,0,1]=4 12219 B11R0.142 CCCOCCC(=O)C(C)C#N 1458a_100000753662_100011215938 [0,2,0,0,0,0|1,0,0]=3 12220 B11R0.142 CCCOCCC(=O)C(C)CC 1458a_100011192722_100011215938 [0,2,0,0,0,0|1,0,0]=3 12221 B11R0.142 CCCOCCC(=O)C(C)OC 1458a_100000743197_100011215938 [0,2,0,0,0,0|1,0,0]=3 12222 B11R0.142 CCCOCCC(=O)C(C)SC 1458a_100000149566_100011215938 [0,2,0,0,0,0|1,0,0]=3 12223 B11R0.142 CCCOCCC(=O)C(O)CC 1458a_100011196387_100011215938 [0,2,0,0,0,0|1,0,0]=3 12224 B11R0.142 CCCOCCC(=O)C(O)CO 1458a_100011215603_100011215938 [0,2,0,0,0,0|1,0,0]=3 12225 B11R0.142 CCCOCCC(C)C(=O)OC 34a_100000210258_100000034942 [0,2,0,0,0,0|1,0,0]=3 12226 B11R0.142 CCCSCCC(C)C(=O)OC 62a_100000034942_100000210303 [0,2,0,0,0,0|1,0,0]=3 12227 B11R0.142 CCCSCCC(C)C(=O)OC 62a_100000210303_100000034942 [0,2,0,0,0,0|1,0,0]=3 12228 B11R0.142 CCN(C)C(=O)CCCCCO 240690a_100000225621_100102619762 [0,2,0,0,0,0|1,0,0]=3 12229 B11R0.142 CCN(C)C(=O)CCOCCO 1626a_100000225621_100011229844 [0,2,0,0,0,0|2,0,0]=4 12230 B11R0.142 CCN(C)C(=O)CCOCCO 240690a_100000225621_100011229844 [0,2,0,0,0,0|2,0,0]=4 12231 B11R0.142 CCN(C)C(=O)CNCCCF 2230a_100015189416_100000738999 [0,2,0,0,0,0|2,0,0]=4 12232 B11R0.142 CCN(C)C(=O)CNCCCF 34a_100015189416_100000738999 [0,2,0,0,0,0|2,0,0]=4 12233 B11R0.142 CCN(C)C(=O)CNCCOC 2230a_100000209980_100000738999 [0,2,0,0,0,0|2,0,0]=4 12234 B11R0.142 CCN(C)C(=O)CNCCSC 2230a_100020590264_100000738999 [0,2,0,0,0,0|2,0,0]=4 12235 B11R0.142 CCN(C)C(=O)COCCCBr 34a_100011217188_100000738999 [0,2,0,0,0,0|2,0,0]=4 12236 B11R0.142 CCN(C)C(=O)COCCCCl 34a_100000230001_100000738999 [0,2,0,0,0,0|2,0,0]=4 12237 B11R0.142 CCN(C)C(=O)COCCCF 34a_100000759539_100000738999 [0,2,0,0,0,0|2,0,0]=4 12238 B11R0.142 CCN(C)C(=O)COCCCN 34a_100000182051_100000738999 [0,2,0,0,0,0|2,0,0]=4 12239 B11R0.142 CCN(C)C(=O)COCCOC 11a_100000225621_100000211095 [0,2,0,0,0,0|2,0,0]=4 12240 B11R0.142 CCN(C)C(=O)COCCOC 1626a_100000225621_100000211095 [0,2,0,0,0,0|2,0,0]=4 12241 B11R0.142 CCN(C)C(=O)COCCOC 240690a_100000225621_100000211095 [0,2,0,0,0,0|2,0,0]=4 12242 B11R0.142 CCN(C)C(=O)COCCOC 34a_100000210237_100000738999 [0,2,0,0,0,0|2,0,0]=4 12243 B11R0.142 CCN(C)C(=O)COCCOC 527a_100000225621_100000211095 [0,2,0,0,0,0|2,0,0]=4 12244 B11R0.142 CCN(C)C(=O)COCCSC 34a_100000230434_100000738999 [0,2,0,0,0,0|2,0,0]=4 12245 B11R0.142 CCN(C)C(=O)COCCSC 7a_100000230434_100000738999 [0,2,0,0,0,0|2,0,0]=4 12246 B11R0.142 CCN(C)C(=O)CSCCCF 62a_100000738999_100011934791 [0,2,0,0,0,0|2,0,0]=4 12247 B11R0.142 CCN(C)C(=O)CSCCCF 62a_100011934791_100000738999 [0,2,0,0,0,0|2,0,0]=4 12248 B11R0.142 CCN(C)C(=O)CSCCCO 62a_100000738999_100011215043 [0,2,0,0,0,0|2,0,0]=4 12249 B11R0.142 CCN(C)C(=O)CSCCCO 62a_100011215043_100000738999 [0,2,0,0,0,0|2,0,0]=4 12250 B11R0.142 CCN(C)C(=O)CSCCOC 62a_100000233755_100000738999 [0,2,0,0,0,0|2,0,0]=4 12251 B11R0.142 CCN(C)C(=O)CSCCOC 62a_100000738999_100000233755 [0,2,0,0,0,0|2,0,0]=4 12252 B11R0.142 CCN(C)C(=O)CSCCSC 62a_100000212216_100000738999 [0,2,0,0,0,0|2,0,0]=4 12253 B11R0.142 CCN(C)C(=O)CSCCSC 62a_100000738999_100000751147 [0,2,0,0,0,0|2,0,0]=4 12254 B11R0.142 CCN(C)C(=O)NCCCCO 2708a_100000750430_100000225621 [0,2,0,0,0,0|2,0,0]=4 12255 B11R0.142 CCN(C)C(=O)NCCCCO 273464a_100000750430_100000225621 [0,2,0,0,0,0|2,0,0]=4 12256 B11R0.142 CCN(C)C(=O)NCCCOC 2708a_100150723488_100000225621 [0,2,0,0,0,0|2,0,0]=4 12257 B11R0.142 CCN(C)C(=O)NCCCOC 273464a_100150723488_100000225621 [0,2,0,0,0,0|2,0,0]=4 12258 B11R0.142 CCN(C)C(=O)NCCCSC 2708a_100000749238_100000225621 [0,2,0,0,0,0|2,0,0]=4 12259 B11R0.142 CCN(C)C(=O)NCCCSC 273464a_100000749238_100000225621 [0,2,0,0,0,0|2,0,0]=4 12260 B11R0.142 CCOCCCC(=O)C(=O)NC 1458a_100011218921_100012232248 [0,2,0,0,0,0|1,0,1]=4 12261 B11R0.142 CCOCCCC(=O)C(C)C#N 1458a_100000753662_100012232248 [0,2,0,0,0,0|1,0,0]=3 12262 B11R0.142 CCOCCCC(=O)C(C)CC 1458a_100011192722_100012232248 [0,2,0,0,0,0|1,0,0]=3 12263 B11R0.142 CCOCCCC(=O)C(C)OC 1458a_100000743197_100012232248 [0,2,0,0,0,0|1,0,0]=3 12264 B11R0.142 CCOCCCC(=O)C(C)SC 1458a_100000149566_100012232248 [0,2,0,0,0,0|1,0,0]=3 12265 B11R0.142 CCOCCCC(=O)C(O)CC 1458a_100011196387_100012232248 [0,2,0,0,0,0|1,0,0]=3 12266 B11R0.142 CCOCCCC(=O)C(O)CO 1458a_100011215603_100012232248 [0,2,0,0,0,0|1,0,0]=3 12267 B11R0.142 CCOCCNC(=O)C(C)C#N 11a_100011200944_100000753662 [0,2,0,0,0,0|2,0,0]=4 12268 B11R0.142 CCOCCNC(=O)C(C)C#N 1626a_102516460346_100000753662 [0,2,0,0,0,0|2,0,0]=4 12269 B11R0.142 CCOCCNC(=O)C(C)C#N 240690a_100011200944_100000753662 [0,2,0,0,0,0|2,0,0]=4 12270 B11R0.142 CCOCCNC(=O)C(C)C#N 527a_100011200944_100000753662 [0,2,0,0,0,0|2,0,0]=4 12271 B11R0.142 CCOCCNC(=O)C(C)CC 11a_100011200944_100011192722 [0,2,0,0,0,0|2,0,0]=4 12272 B11R0.142 CCOCCNC(=O)C(C)CC 1626a_102516460346_100011192722 [0,2,0,0,0,0|2,0,0]=4 12273 B11R0.142 CCOCCNC(=O)C(C)CC 240690a_100011200944_100011192722 [0,2,0,0,0,0|2,0,0]=4 12274 B11R0.142 CCOCCNC(=O)C(C)CC 527a_100011200944_100011192722 [0,2,0,0,0,0|2,0,0]=4 12275 B11R0.142 CCOCCNC(=O)C(C)OC 11a_100011200944_100000743197 [0,2,0,0,0,0|2,0,0]=4 12276 B11R0.142 CCOCCNC(=O)C(C)OC 1626a_102516460346_100000743197 [0,2,0,0,0,0|2,0,0]=4 12277 B11R0.142 CCOCCNC(=O)C(C)OC 240690a_100011200944_100000743197 [0,2,0,0,0,0|2,0,0]=4 12278 B11R0.142 CCOCCNC(=O)C(C)OC 527a_100011200944_100000743197 [0,2,0,0,0,0|2,0,0]=4 12279 B11R0.142 CCOCCNC(=O)C(C)SC 11a_100011200944_100000149566 [0,2,0,0,0,0|2,0,0]=4 12280 B11R0.142 CCOCCNC(=O)C(C)SC 1626a_102516460346_100000149566 [0,2,0,0,0,0|2,0,0]=4 12281 B11R0.142 CCOCCNC(=O)C(C)SC 240690a_100011200944_100000149566 [0,2,0,0,0,0|2,0,0]=4 12282 B11R0.142 CCOCCNC(=O)C(C)SC 527a_100011200944_100000149566 [0,2,0,0,0,0|2,0,0]=4 12283 B11R0.142 CCOCCNC(=O)C(O)CC 240690a_100011200944_100011196387 [0,2,0,0,0,0|2,0,0]=4 12284 B11R0.142 CCOCCNC(=O)C(O)CO 240690a_100011200944_100011215603 [0,2,0,0,0,0|2,0,0]=4 12285 B11R0.142 CCOCCNC(=O)N(C)CC 2708a_100011200944_100000225621 [0,2,0,0,0,0|2,0,0]=4 12286 B11R0.142 CCOCCNC(=O)N(C)CC 273464a_102516460346_100000225621 [0,2,0,0,0,0|2,0,0]=4 12287 B11R0.142 CCOCCNC(C)C(=O)CC 2230a_102516460346_100000742827 [0,2,0,0,0,0|1,0,0]=3 12288 B11R0.142 CCOCCNC(C)C(=O)NC 2230a_102516460346_100000731044 [0,2,0,0,0,0|2,0,0]=4 12289 B11R0.142 CCOCCNC(C)C(=O)NC 34a_102516460346_100000731044 [0,2,0,0,0,0|2,0,0]=4 12290 B11R0.142 CCOCCNC(C)C(=O)OC 2230a_102516460346_100000211248 [0,2,0,0,0,0|2,0,0]=4 12291 B11R0.142 CCOCCNC(C)C(=O)OC 34a_102516460346_100000211248 [0,2,0,0,0,0|2,0,0]=4 12292 B11R0.142 CCOCCNC(F)C(=O)NC 2230a_102516460346_100009813575 [0,2,0,0,0,0|2,0,0]=4 12293 B11R0.142 CCOCCNC(F)C(=O)NC 34a_102516460346_100009813575 [0,2,0,0,0,0|2,0,0]=4 12294 B11R0.142 CCOCCN[C@H](C)C(=O)NC 2230a_100000684985_100011215890 [0,2,0,0,0,0|2,0,0]=4 12295 B11R0.142 CCOCCN[C@H](C)C(=O)NC 34a_100000684985_100000210147 [0,2,0,0,0,0|2,0,0]=4 12296 B11R0.142 CCOCCOC(C)C(=O)CC 1458a_100000743585_100000210202 [0,2,0,0,0,0|1,0,0]=3 12297 B11R0.142 CCOCCOC(C)C(=O)CC 7a_100000210136_100000742827 [0,2,0,0,0,0|1,0,0]=3 12298 B11R0.142 CCOCCOC(C)C(=O)CF 1458a_100000743585_100015361967 [0,2,0,0,0,0|2,0,0]=4 12299 B11R0.142 CCOCCOC(C)C(=O)NC 11a_106832991635_100000743585 [0,2,0,0,0,0|2,0,0]=4 12300 B11R0.142 CCOCCOC(C)C(=O)NC 1626a_100102657272_100000743585 [0,2,0,0,0,0|2,0,0]=4 12301 B11R0.142 CCOCCOC(C)C(=O)NC 240690a_100102657272_100000743585 [0,2,0,0,0,0|2,0,0]=4 12302 B11R0.142 CCOCCOC(C)C(=O)NC 34a_100000210136_100000731044 [0,2,0,0,0,0|2,0,0]=4 12303 B11R0.142 CCOCCOC(C)C(=O)NC 527a_100102657272_100000743585 [0,2,0,0,0,0|2,0,0]=4 12304 B11R0.142 CCOCCOC(C)C(=O)NC 7a_100000210136_100000209862 [0,2,0,0,0,0|2,0,0]=4 12305 B11R0.142 CCOCCOC(C)C(=O)OC 34a_100000210136_100000211248 [0,2,0,0,0,0|2,0,0]=4 12306 B11R0.142 CCOCCOC(C)C(=O)OC 34a_100011215400_100000210147 [0,2,0,0,0,0|2,0,0]=4 12307 B11R0.142 CCOCCOC(C)C(=O)OC 7a_100000210136_100000211248 [0,2,0,0,0,0|2,0,0]=4 12308 B11R0.142 CCOCCOC(F)C(=O)NC 34a_100000210136_100009813575 [0,2,0,0,0,0|2,0,0]=4 12309 B11R0.142 CCOCCOC(F)C(=O)NC 7a_100000210136_100009813575 [0,2,0,0,0,0|2,0,0]=4 12310 B11R0.142 CCOCCSC(C)C(=O)CC 62a_100000210147_100000742827 [0,2,0,0,0,0|1,0,0]=3 12311 B11R0.142 CCOCCSC(C)C(=O)CC 62a_100000742827_100011215890 [0,2,0,0,0,0|1,0,0]=3 12312 B11R0.142 CCOCCSC(C)C(=O)NC 62a_100000209862_100011215890 [0,2,0,0,0,0|2,0,0]=4 12313 B11R0.142 CCOCCSC(C)C(=O)NC 62a_100000210147_100000731044 [0,2,0,0,0,0|2,0,0]=4 12314 B11R0.142 CCOCCSC(C)C(=O)OC 62a_100000210147_100000211248 [0,2,0,0,0,0|2,0,0]=4 12315 B11R0.142 CCOCCSC(C)C(=O)OC 62a_100000211248_100011215890 [0,2,0,0,0,0|2,0,0]=4 12316 B11R0.142 CCOCCSC(F)C(=O)NC 62a_100000210147_100009813575 [0,2,0,0,0,0|2,0,0]=4 12317 B11R0.142 CCOCCSC(F)C(=O)NC 62a_100009813575_100011215890 [0,2,0,0,0,0|2,0,0]=4 12318 B11R0.142 CCOCSCC(=O)N(C)CC 62a_100000738999_100000739092 [0,2,0,0,0,0|2,0,0]=4 12319 B11R0.142 CCOCSCC(=O)N(C)CC 62a_100000739092_100000738999 [0,2,0,0,0,0|2,0,0]=4 12320 B11R0.142 CCOCSCC(C)C(=O)OC 62a_100000698445_100000739092 [0,2,0,0,0,0|2,0,0]=4 12321 B11R0.142 CCOCSCC(C)C(=O)OC 62a_100000739092_100000698445 [0,2,0,0,0,0|2,0,0]=4 12322 B11R0.142 CCSCCCC(=O)N(C)OC 62a_100000210202_100011842776 [0,2,0,0,0,0|2,0,0]=4 12323 B11R0.142 CCSCCCC(=O)N(C)OC 62a_100011842776_100000210202 [0,2,0,0,0,0|2,0,0]=4 12324 B11R0.142 CCSCCNC(=O)C(C)C#N 11a_100000106463_100000753662 [0,2,0,0,0,0|2,0,0]=4 12325 B11R0.142 CCSCCNC(=O)C(C)C#N 1626a_100000106463_100000753662 [0,2,0,0,0,0|2,0,0]=4 12326 B11R0.142 CCSCCNC(=O)C(C)C#N 240690a_100000106463_100000753662 [0,2,0,0,0,0|2,0,0]=4 12327 B11R0.142 CCSCCNC(=O)C(C)C#N 527a_100000106463_100000753662 [0,2,0,0,0,0|2,0,0]=4 12328 B11R0.142 CCSCCNC(=O)C(C)CC 11a_100000106463_100011192722 [0,2,0,0,0,0|2,0,0]=4 12329 B11R0.142 CCSCCNC(=O)C(C)CC 1626a_100000106463_100011192722 [0,2,0,0,0,0|2,0,0]=4 12330 B11R0.142 CCSCCNC(=O)C(C)CC 240690a_100000106463_100011192722 [0,2,0,0,0,0|2,0,0]=4 12331 B11R0.142 CCSCCNC(=O)C(C)CC 527a_100000106463_100011192722 [0,2,0,0,0,0|2,0,0]=4 12332 B11R0.142 CCSCCNC(=O)C(C)OC 11a_100000106463_100000743197 [0,2,0,0,0,0|2,0,0]=4 12333 B11R0.142 CCSCCNC(=O)C(C)OC 1626a_100000106463_100000743197 [0,2,0,0,0,0|2,0,0]=4 12334 B11R0.142 CCSCCNC(=O)C(C)OC 240690a_100000106463_100000743197 [0,2,0,0,0,0|2,0,0]=4 12335 B11R0.142 CCSCCNC(=O)C(C)OC 527a_100000106463_100000743197 [0,2,0,0,0,0|2,0,0]=4 12336 B11R0.142 CCSCCNC(=O)C(C)SC 11a_100000106463_100000149566 [0,2,0,0,0,0|2,0,0]=4 12337 B11R0.142 CCSCCNC(=O)C(C)SC 1626a_100000106463_100000149566 [0,2,0,0,0,0|2,0,0]=4 12338 B11R0.142 CCSCCNC(=O)C(C)SC 240690a_100000106463_100000149566 [0,2,0,0,0,0|2,0,0]=4 12339 B11R0.142 CCSCCNC(=O)C(C)SC 527a_100000106463_100000149566 [0,2,0,0,0,0|2,0,0]=4 12340 B11R0.142 CCSCCNC(=O)C(O)CC 240690a_100000106463_100011196387 [0,2,0,0,0,0|2,0,0]=4 12341 B11R0.142 CCSCCNC(=O)C(O)CO 240690a_100000106463_100011215603 [0,2,0,0,0,0|2,0,0]=4 12342 B11R0.142 CCSCCNC(=O)N(C)CC 2708a_100000106463_100000225621 [0,2,0,0,0,0|2,0,0]=4 12343 B11R0.142 CCSCCNC(=O)N(C)CC 273464a_100000106463_100000225621 [0,2,0,0,0,0|2,0,0]=4 12344 B11R0.142 CCSCCNC(C)C(=O)CC 2230a_100000106463_100000742827 [0,2,0,0,0,0|1,0,0]=3 12345 B11R0.142 CCSCCNC(C)C(=O)NC 2230a_100000106463_100000731044 [0,2,0,0,0,0|2,0,0]=4 12346 B11R0.142 CCSCCNC(C)C(=O)OC 2230a_100000106463_100000211248 [0,2,0,0,0,0|2,0,0]=4 12347 B11R0.142 CCSCCNC(F)C(=O)NC 2230a_100000106463_100009813575 [0,2,0,0,0,0|2,0,0]=4 12348 B11R0.142 CCSCCN[C@H](C)C(=O)NC 2230a_100000684985_100000757381 [0,2,0,0,0,0|2,0,0]=4 12349 B11R0.142 CCSCCN[C@H](C)C(=O)NC 34a_100000684985_100000757381 [0,2,0,0,0,0|2,0,0]=4 12350 B11R0.142 CCSCCOC(C)C(=O)CC 7a_100000212035_100000742827 [0,2,0,0,0,0|1,0,0]=3 12351 B11R0.142 CCSCCOC(C)C(=O)NC 34a_100000212035_100000731044 [0,2,0,0,0,0|2,0,0]=4 12352 B11R0.142 CCSCCOC(C)C(=O)NC 7a_100000212035_100000209862 [0,2,0,0,0,0|2,0,0]=4 12353 B11R0.142 CCSCCOC(C)C(=O)OC 34a_100000212035_100000211248 [0,2,0,0,0,0|2,0,0]=4 12354 B11R0.142 CCSCCOC(C)C(=O)OC 34a_100011215400_100000757381 [0,2,0,0,0,0|2,0,0]=4 12355 B11R0.142 CCSCCOC(C)C(=O)OC 7a_100000212035_100000211248 [0,2,0,0,0,0|2,0,0]=4 12356 B11R0.142 CCSCCOC(F)C(=O)NC 34a_100000212035_100009813575 [0,2,0,0,0,0|2,0,0]=4 12357 B11R0.142 CCSCCOC(F)C(=O)NC 7a_100000212035_100009813575 [0,2,0,0,0,0|2,0,0]=4 12358 B11R0.142 CCSCCSC(C)C(=O)CC 62a_100000742827_100000757381 [0,2,0,0,0,0|1,0,0]=3 12359 B11R0.142 CCSCCSC(C)C(=O)CC 62a_100000757381_100000742827 [0,2,0,0,0,0|1,0,0]=3 12360 B11R0.142 CCSCCSC(C)C(=O)NC 62a_100000209862_100000757381 [0,2,0,0,0,0|2,0,0]=4 12361 B11R0.142 CCSCCSC(C)C(=O)NC 62a_100000757381_100000731044 [0,2,0,0,0,0|2,0,0]=4 12362 B11R0.142 CCSCCSC(C)C(=O)OC 62a_100000211248_100000757381 [0,2,0,0,0,0|2,0,0]=4 12363 B11R0.142 CCSCCSC(C)C(=O)OC 62a_100000757381_100000211248 [0,2,0,0,0,0|2,0,0]=4 12364 B11R0.142 CCSCCSC(F)C(=O)NC 62a_100000757381_100009813575 [0,2,0,0,0,0|2,0,0]=4 12365 B11R0.142 CCSCCSC(F)C(=O)NC 62a_100009813575_100000757381 [0,2,0,0,0,0|2,0,0]=4 12366 B11R0.142 CN(CCCCCO)C(=O)CO 240690a_100000722520_100000210174 [0,2,0,0,0,0|2,0,0]=4 12367 B11R0.142 CNC(=O)C(=O)CCCCCF 1458a_100011218921_100000729378 [0,2,0,0,0,0|1,0,1]=4 12368 B11R0.142 CNC(=O)C(=O)CCCCCO 1458a_100011218921_100000746330 [0,2,0,0,0,0|1,0,1]=4 12369 B11R0.142 CNC(=O)C(=O)CCCCOC 1458a_100011218921_100000755781 [0,2,0,0,0,0|1,0,1]=4 12370 B11R0.142 CNC(=O)C(C)CNCCCF 2230a_100015187722_100011934791 [0,2,0,0,0,0|2,0,0]=4 12371 B11R0.142 CNC(=O)C(C)CNCCCF 34a_100015187722_100011934791 [0,2,0,0,0,0|2,0,0]=4 12372 B11R0.142 CNC(=O)C(C)CNCCCO 2230a_100015187722_100000230001 [0,2,0,0,0,0|2,0,0]=4 12373 B11R0.142 CNC(=O)C(C)CNCCCO 34a_100015187722_100000230001 [0,2,0,0,0,0|2,0,0]=4 12374 B11R0.142 CNC(=O)C(C)CNCCOC 2230a_100015187722_100011201679 [0,2,0,0,0,0|2,0,0]=4 12375 B11R0.142 CNC(=O)C(C)CNCCOC 34a_100015187722_100011201679 [0,2,0,0,0,0|2,0,0]=4 12376 B11R0.142 CNC(=O)C(C)CNCCSC 2230a_100015187722_100000751147 [0,2,0,0,0,0|2,0,0]=4 12377 B11R0.142 CNC(=O)C(C)CNCCSC 34a_100015187722_100000212216 [0,2,0,0,0,0|2,0,0]=4 12378 B11R0.142 CNC(=O)C(C)NCCCCO 2230a_100000750430_100000731044 [0,2,0,0,0,0|2,0,0]=4 12379 B11R0.142 CNC(=O)C(C)NCCCCO 34a_100000750430_100000731044 [0,2,0,0,0,0|2,0,0]=4 12380 B11R0.142 CNC(=O)C(C)NCCCOC 34a_100150723488_100000731044 [0,2,0,0,0,0|2,0,0]=4 12381 B11R0.142 CNC(=O)C(C)NCCCSC 2230a_100000749238_100000731044 [0,2,0,0,0,0|2,0,0]=4 12382 B11R0.142 CNC(=O)C(C)OCCCCBr 34a_100011216708_100000731044 [0,2,0,0,0,0|2,0,0]=4 12383 B11R0.142 CNC(=O)C(C)OCCCCCl 34a_100000210776_100000731044 [0,2,0,0,0,0|2,0,0]=4 12384 B11R0.142 CNC(=O)C(C)OCCCCCl 7a_100000210776_100000209862 [0,2,0,0,0,0|2,0,0]=4 12385 B11R0.142 CNC(=O)C(C)OCCCCF 34a_100011995726_100000731044 [0,2,0,0,0,0|2,0,0]=4 12386 B11R0.142 CNC(=O)C(C)OCCCCF 7a_100011995726_100000209862 [0,2,0,0,0,0|2,0,0]=4 12387 B11R0.142 CNC(=O)C(C)OCCCCI 34a_200012148704_100000731044 [0,2,0,0,0,0|2,0,0]=4 12388 B11R0.142 CNC(=O)C(C)OCCCCN 34a_100000750430_100000731044 [0,2,0,0,0,0|2,0,0]=4 12389 B11R0.142 CNC(=O)C(C)OCCCOC 34a_100000740835_100000731044 [0,2,0,0,0,0|2,0,0]=4 12390 B11R0.142 CNC(=O)C(C)OCCCSC 34a_100000690336_100000731044 [0,2,0,0,0,0|2,0,0]=4 12391 B11R0.142 CNC(=O)C(C)OCCCSC 7a_100000690336_100000209862 [0,2,0,0,0,0|2,0,0]=4 12392 B11R0.142 CNC(=O)C(C)SCCCCF 62a_100000209862_100000729493 [0,2,0,0,0,0|2,0,0]=4 12393 B11R0.142 CNC(=O)C(C)SCCCCF 62a_100000729493_100000731044 [0,2,0,0,0,0|2,0,0]=4 12394 B11R0.142 CNC(=O)C(C)SCCCCO 62a_100000209862_100000210776 [0,2,0,0,0,0|2,0,0]=4 12395 B11R0.142 CNC(=O)C(C)SCCCCO 62a_100000210776_100000731044 [0,2,0,0,0,0|2,0,0]=4 12396 B11R0.142 CNC(=O)C(C)SCCCOC 62a_100000209862_100000709357 [0,2,0,0,0,0|2,0,0]=4 12397 B11R0.142 CNC(=O)C(C)SCCCOC 62a_100000709357_100000731044 [0,2,0,0,0,0|2,0,0]=4 12398 B11R0.142 CNC(=O)C(F)NCCCCO 2230a_100000750430_100009813575 [0,2,0,0,0,0|2,0,0]=4 12399 B11R0.142 CNC(=O)C(F)NCCCCO 34a_100000750430_100009813575 [0,2,0,0,0,0|2,0,0]=4 12400 B11R0.142 CNC(=O)C(F)NCCCOC 34a_100150723488_100009813575 [0,2,0,0,0,0|2,0,0]=4 12401 B11R0.142 CNC(=O)C(F)NCCCSC 2230a_100000749238_100009813575 [0,2,0,0,0,0|2,0,0]=4 12402 B11R0.142 CNC(=O)C(F)OCCCCBr 34a_100011216708_100009813575 [0,2,0,0,0,0|2,0,0]=4 12403 B11R0.142 CNC(=O)C(F)OCCCCCl 34a_100000210776_100009813575 [0,2,0,0,0,0|2,0,0]=4 12404 B11R0.142 CNC(=O)C(F)OCCCCCl 7a_100000210776_100009813575 [0,2,0,0,0,0|2,0,0]=4 12405 B11R0.142 CNC(=O)C(F)OCCCCF 34a_100011995726_100009813575 [0,2,0,0,0,0|2,0,0]=4 12406 B11R0.142 CNC(=O)C(F)OCCCCF 7a_100011995726_100009813575 [0,2,0,0,0,0|2,0,0]=4 12407 B11R0.142 CNC(=O)C(F)OCCCCI 34a_200012148704_100009813575 [0,2,0,0,0,0|2,0,0]=4 12408 B11R0.142 CNC(=O)C(F)OCCCCN 34a_100000750430_100009813575 [0,2,0,0,0,0|2,0,0]=4 12409 B11R0.142 CNC(=O)C(F)OCCCOC 34a_100000740835_100009813575 [0,2,0,0,0,0|2,0,0]=4 12410 B11R0.142 CNC(=O)C(F)OCCCSC 34a_100000690336_100009813575 [0,2,0,0,0,0|2,0,0]=4 12411 B11R0.142 CNC(=O)C(F)OCCCSC 7a_100000690336_100009813575 [0,2,0,0,0,0|2,0,0]=4 12412 B11R0.142 CNC(=O)C(F)SCCCCF 62a_100000729493_100009813575 [0,2,0,0,0,0|2,0,0]=4 12413 B11R0.142 CNC(=O)C(F)SCCCCF 62a_100009813575_100000729493 [0,2,0,0,0,0|2,0,0]=4 12414 B11R0.142 CNC(=O)C(F)SCCCCO 62a_100000210776_100009813575 [0,2,0,0,0,0|2,0,0]=4 12415 B11R0.142 CNC(=O)C(F)SCCCCO 62a_100009813575_100000210776 [0,2,0,0,0,0|2,0,0]=4 12416 B11R0.142 CNC(=O)C(F)SCCCOC 62a_100000709357_100009813575 [0,2,0,0,0,0|2,0,0]=4 12417 B11R0.142 CNC(=O)C(F)SCCCOC 62a_100009813575_100000709357 [0,2,0,0,0,0|2,0,0]=4 12418 B11R0.142 CNC(=O)N(C)CCCCCO 2708a_100102657272_100000722520 [0,2,0,0,0,0|2,0,0]=4 12419 B11R0.142 CNC(=O)N(C)CCCCCO 273464a_100102657272_100000722520 [0,2,0,0,0,0|2,0,0]=4 12420 B11R0.142 CNC(=O)[C@@H](C)NCCCCF 2230a_100000684985_100000729493 [0,2,0,0,0,0|2,0,0]=4 12421 B11R0.142 CNC(=O)[C@@H](C)NCCCCF 34a_100000684985_100000729493 [0,2,0,0,0,0|2,0,0]=4 12422 B11R0.142 CNC(=O)[C@@H](C)NCCCCO 2230a_100000684985_100000210776 [0,2,0,0,0,0|2,0,0]=4 12423 B11R0.142 CNC(=O)[C@@H](C)NCCCCO 34a_100000684985_100011216708 [0,2,0,0,0,0|2,0,0]=4 12424 B11R0.142 CNC(=O)[C@@H](C)NCCCOC 2230a_100000684985_100000740836 [0,2,0,0,0,0|2,0,0]=4 12425 B11R0.142 CNC(=O)[C@@H](C)NCCCOC 34a_100000684985_100000740836 [0,2,0,0,0,0|2,0,0]=4 12426 B11R0.142 CNC(C)C(=O)NCCCOC 2230a_106832991635_100000735919 [0,2,0,0,0,0|2,0,0]=4 12427 B11R0.142 CNC(C)C(=O)NCCCOC 7a_106832991635_100000735919 [0,2,0,0,0,0|2,0,0]=4 12428 B11R0.142 CNCCCOC(C)C(=O)NC 34a_100000213112_100000731044 [0,2,0,0,0,0|2,0,0]=4 12429 B11R0.142 CNCCCOC(C)C(=O)OC 34a_100000213112_100000211248 [0,2,0,0,0,0|2,0,0]=4 12430 B11R0.142 CNCCCOC(F)C(=O)NC 34a_100000213112_100009813575 [0,2,0,0,0,0|2,0,0]=4 12431 B11R0.142 COC(=O)C(C)CCNCCF 34a_100000724931_100000034942 [0,2,0,0,0,0|2,0,0]=4 12432 B11R0.142 COC(=O)C(C)CCNCCO 2230a_100016997473_100000034942 [0,2,0,0,0,0|2,0,0]=4 12433 B11R0.142 COC(=O)C(C)CCNCCO 34a_100016990907_100000034942 [0,2,0,0,0,0|2,0,0]=4 12434 B11R0.142 COC(=O)C(C)CCOCCBr 34a_100000211926_100000034942 [0,2,0,0,0,0|2,0,0]=4 12435 B11R0.142 COC(=O)C(C)CCOCCN 34a_100000210304_100000034942 [0,2,0,0,0,0|2,0,0]=4 12436 B11R0.142 COC(=O)C(C)CCSCCF 62a_100000034942_100011217306 [0,2,0,0,0,0|2,0,0]=4 12437 B11R0.142 COC(=O)C(C)CCSCCF 62a_100011217306_100000034942 [0,2,0,0,0,0|2,0,0]=4 12438 B11R0.142 COC(=O)C(C)CCSCCO 62a_100000034942_100000211926 [0,2,0,0,0,0|2,0,0]=4 12439 B11R0.142 COC(=O)C(C)CCSCCO 62a_100000211926_100000034942 [0,2,0,0,0,0|2,0,0]=4 12440 B11R0.142 COC(=O)C(C)CCSCSC 62a_100000034942_100011218213 [0,2,0,0,0,0|2,0,0]=4 12441 B11R0.142 COC(=O)C(C)CCSCSC 62a_100011218213_100000034942 [0,2,0,0,0,0|2,0,0]=4 12442 B11R0.142 COC(=O)C(C)CNCCCF 34a_100015189416_100000698445 [0,2,0,0,0,0|2,0,0]=4 12443 B11R0.142 COC(=O)C(C)COCCCBr 34a_100011217188_100000698445 [0,2,0,0,0,0|2,0,0]=4 12444 B11R0.142 COC(=O)C(C)COCCCCl 34a_100000230001_100000698445 [0,2,0,0,0,0|2,0,0]=4 12445 B11R0.142 COC(=O)C(C)COCCCF 34a_100000749362_100011934791 [0,2,0,0,0,0|2,0,0]=4 12446 B11R0.142 COC(=O)C(C)COCCCF 34a_100000759539_100000698445 [0,2,0,0,0,0|2,0,0]=4 12447 B11R0.142 COC(=O)C(C)COCCCF 7a_100000749362_100011934791 [0,2,0,0,0,0|2,0,0]=4 12448 B11R0.142 COC(=O)C(C)COCCCN 34a_100000182051_100000698445 [0,2,0,0,0,0|2,0,0]=4 12449 B11R0.142 COC(=O)C(C)COCCCO 34a_100000749362_100000230001 [0,2,0,0,0,0|2,0,0]=4 12450 B11R0.142 COC(=O)C(C)COCCCO 7a_100000749362_100011215043 [0,2,0,0,0,0|2,0,0]=4 12451 B11R0.142 COC(=O)C(C)COCCSC 34a_100000230434_100000698445 [0,2,0,0,0,0|2,0,0]=4 12452 B11R0.142 COC(=O)C(C)COCCSC 34a_100000749362_100000212216 [0,2,0,0,0,0|2,0,0]=4 12453 B11R0.142 COC(=O)C(C)COCCSC 7a_100000749362_100000212216 [0,2,0,0,0,0|2,0,0]=4 12454 B11R0.142 COC(=O)C(C)CSCCCF 62a_100000698445_100011934791 [0,2,0,0,0,0|2,0,0]=4 12455 B11R0.142 COC(=O)C(C)CSCCCF 62a_100011934791_100000698445 [0,2,0,0,0,0|2,0,0]=4 12456 B11R0.142 COC(=O)C(C)CSCCCO 62a_100000698445_100011215043 [0,2,0,0,0,0|2,0,0]=4 12457 B11R0.142 COC(=O)C(C)CSCCCO 62a_100011215043_100000698445 [0,2,0,0,0,0|2,0,0]=4 12458 B11R0.142 COC(=O)C(C)CSCCSC 62a_100000212216_100000698445 [0,2,0,0,0,0|2,0,0]=4 12459 B11R0.142 COC(=O)C(C)CSCCSC 62a_100000698445_100000751147 [0,2,0,0,0,0|2,0,0]=4 12460 B11R0.142 COC(=O)C(C)NCCCCO 2230a_100000750430_100000211248 [0,2,0,0,0,0|2,0,0]=4 12461 B11R0.142 COC(=O)C(C)NCCCCO 34a_100000750430_100000211248 [0,2,0,0,0,0|2,0,0]=4 12462 B11R0.142 COC(=O)C(C)NCCCSC 2230a_100000749238_100000211248 [0,2,0,0,0,0|2,0,0]=4 12463 B11R0.142 COC(=O)C(C)OCCCCBr 34a_100011216708_100000211248 [0,2,0,0,0,0|2,0,0]=4 12464 B11R0.142 COC(=O)C(C)OCCCCCl 34a_100000210776_100000211248 [0,2,0,0,0,0|2,0,0]=4 12465 B11R0.142 COC(=O)C(C)OCCCCCl 7a_100000210776_100000211248 [0,2,0,0,0,0|2,0,0]=4 12466 B11R0.142 COC(=O)C(C)OCCCCF 34a_100011215400_100000729493 [0,2,0,0,0,0|2,0,0]=4 12467 B11R0.142 COC(=O)C(C)OCCCCF 34a_100011995726_100000211248 [0,2,0,0,0,0|2,0,0]=4 12468 B11R0.142 COC(=O)C(C)OCCCCF 7a_100011995726_100000211248 [0,2,0,0,0,0|2,0,0]=4 12469 B11R0.142 COC(=O)C(C)OCCCCI 34a_200012148704_100000211248 [0,2,0,0,0,0|2,0,0]=4 12470 B11R0.142 COC(=O)C(C)OCCCCN 34a_100000750430_100000211248 [0,2,0,0,0,0|2,0,0]=4 12471 B11R0.142 COC(=O)C(C)OCCCCO 34a_100011215400_100011216708 [0,2,0,0,0,0|2,0,0]=4 12472 B11R0.142 COC(=O)C(C)OCCCSC 34a_100000690336_100000211248 [0,2,0,0,0,0|2,0,0]=4 12473 B11R0.142 COC(=O)C(C)OCCCSC 7a_100000690336_100000211248 [0,2,0,0,0,0|2,0,0]=4 12474 B11R0.142 COC(=O)C(C)SCCCCF 62a_100000211248_100000729493 [0,2,0,0,0,0|2,0,0]=4 12475 B11R0.142 COC(=O)C(C)SCCCCF 62a_100000729493_100000211248 [0,2,0,0,0,0|2,0,0]=4 12476 B11R0.142 COC(=O)C(C)SCCCCO 62a_100000210776_100000211248 [0,2,0,0,0,0|2,0,0]=4 12477 B11R0.142 COC(=O)C(C)SCCCCO 62a_100000211248_100000210776 [0,2,0,0,0,0|2,0,0]=4 12478 B11R0.142 COC(=O)C(F)COCCCF 34a_200009849844_100011934791 [0,2,0,0,0,0|2,0,0]=4 12479 B11R0.142 COC(=O)C(F)COCCCO 34a_200009849844_100000230001 [0,2,0,0,0,0|2,0,0]=4 12480 B11R0.142 COC(=O)C(F)COCCSC 34a_200009849844_100000212216 [0,2,0,0,0,0|2,0,0]=4 12481 B11R0.142 COC(=O)[C@H](N)COCCCF 34a_100000003586_100011934791 [0,2,0,0,0,0|2,0,0]=4 12482 B11R0.142 COC(=O)[C@H](N)COCCCO 34a_100000003586_100000230001 [0,2,0,0,0,0|2,0,0]=4 12483 B11R0.142 COC(=O)[C@H](N)COCCSC 34a_100000003586_100000212216 [0,2,0,0,0,0|2,0,0]=4 12484 B11R0.142 COC(C)C(=O)CCCCC#N 1458a_100000743197_100000211819 [0,2,0,0,0,0|1,0,1]=4 12485 B11R0.142 COC(C)C(=O)CCCCCF 1458a_100000743197_100000729378 [0,2,0,0,0,0|1,0,0]=3 12486 B11R0.142 COC(C)C(=O)CCCCCO 1458a_100000743197_100000746330 [0,2,0,0,0,0|1,0,0]=3 12487 B11R0.142 COC(C)C(=O)CCOCCO 1458a_100000743197_100011215305 [0,2,0,0,0,0|2,0,0]=4 12488 B11R0.142 COC(C)C(=O)NCCCCO 240690a_100000750430_100000743197 [0,2,0,0,0,0|2,0,0]=4 12489 B11R0.142 COC(C)C(=O)NCCCCO 527a_100000750430_100000743197 [0,2,0,0,0,0|2,0,0]=4 12490 B11R0.142 COC(C)C(=O)NCCCSC 11a_100000749238_100000743197 [0,2,0,0,0,0|2,0,0]=4 12491 B11R0.142 COC(C)C(=O)NCCCSC 1626a_100000749238_100000743197 [0,2,0,0,0,0|2,0,0]=4 12492 B11R0.142 COC(C)C(=O)NCCCSC 240690a_100000749238_100000743197 [0,2,0,0,0,0|2,0,0]=4 12493 B11R0.142 COC(C)C(=O)NCCCSC 527a_100000749238_100000743197 [0,2,0,0,0,0|2,0,0]=4 12494 B11R0.142 COCCCCC(=O)C(C)C#N 1458a_100000753662_100000755781 [0,2,0,0,0,0|1,0,0]=3 12495 B11R0.142 COCCCCC(=O)C(C)OC 1458a_100000743197_100000755781 [0,2,0,0,0,0|1,0,0]=3 12496 B11R0.142 COCCCCC(=O)C(C)SC 1458a_100000149566_100000755781 [0,2,0,0,0,0|1,0,0]=3 12497 B11R0.142 COCCCCC(=O)C(O)CO 1458a_100011215603_100000755781 [0,2,0,0,0,0|1,0,0]=3 12498 B11R0.142 COCCCNC(=O)C(C)C#N 1626a_100150723488_100000753662 [0,2,0,0,0,0|2,0,0]=4 12499 B11R0.142 COCCCNC(=O)C(C)C#N 240690a_100150723488_100000753662 [0,2,0,0,0,0|2,0,0]=4 12500 B11R0.142 COCCCNC(=O)C(C)C#N 527a_100150723488_100000753662 [0,2,0,0,0,0|2,0,0]=4 12501 B11R0.142 COCCCNC(=O)C(C)OC 1626a_100150723488_100000743197 [0,2,0,0,0,0|2,0,0]=4 12502 B11R0.142 COCCCNC(=O)C(C)OC 240690a_100150723488_100000743197 [0,2,0,0,0,0|2,0,0]=4 12503 B11R0.142 COCCCNC(=O)C(C)OC 527a_100150723488_100000743197 [0,2,0,0,0,0|2,0,0]=4 12504 B11R0.142 COCCCNC(=O)C(C)SC 1626a_100150723488_100000149566 [0,2,0,0,0,0|2,0,0]=4 12505 B11R0.142 COCCCNC(=O)C(C)SC 240690a_100150723488_100000149566 [0,2,0,0,0,0|2,0,0]=4 12506 B11R0.142 COCCCNC(=O)C(C)SC 527a_100150723488_100000149566 [0,2,0,0,0,0|2,0,0]=4 12507 B11R0.142 COCCCNC(=O)C(C)SC 62a_100000735919_200000210301 [0,2,0,0,0,0|2,0,0]=4 12508 B11R0.142 COCCCNC(=O)C(C)SC 62a_200000210301_100000735919 [0,2,0,0,0,0|2,0,0]=4 12509 B11R0.142 COCCCNC(=O)C(C)S[13CH3] 62a_100000735919_200025704644 [0,2,0,0,0,0|2,0,0]=4 12510 B11R0.142 COCCCNC(=O)C(C)S[13CH3] 62a_200025704644_100000735919 [0,2,0,0,0,0|2,0,0]=4 12511 B11R0.142 COCCCNC(=O)C(O)CO 240690a_100150723488_100011215603 [0,2,0,0,0,0|2,0,0]=4 12512 B11R0.142 COCCCNC(C)C(=O)OC 34a_100150723488_100000211248 [0,2,0,0,0,0|2,0,0]=4 12513 B11R0.142 COCCCOC(C)C(=O)OC 34a_100000740835_100000211248 [0,2,0,0,0,0|2,0,0]=4 12514 B11R0.142 COCCCOC(C)C(=O)OC 34a_100011215400_100000740836 [0,2,0,0,0,0|2,0,0]=4 12515 B11R0.142 COCCCSC(C)C(=O)OC 62a_100000211248_100000709357 [0,2,0,0,0,0|2,0,0]=4 12516 B11R0.142 COCCCSC(C)C(=O)OC 62a_100000709357_100000211248 [0,2,0,0,0,0|2,0,0]=4 12517 B11R0.142 COCCOCC(=O)C(C)C#N 1458a_100000211095_100000703298 [0,2,0,0,0,0|2,0,0]=4 12518 B11R0.142 COCCOCC(C)C(=O)OC 34a_100000210237_100000698445 [0,2,0,0,0,0|2,0,0]=4 12519 B11R0.142 COCCOCC(C)C(=O)OC 34a_100000749362_100011201679 [0,2,0,0,0,0|2,0,0]=4 12520 B11R0.142 COCCOCC(C)C(=O)OC 7a_100000749362_100000233755 [0,2,0,0,0,0|2,0,0]=4 12521 B11R0.142 COCCOCC(F)C(=O)OC 34a_200009849844_100011201679 [0,2,0,0,0,0|2,0,0]=4 12522 B11R0.142 COCCOC[C@@H](N)C(=O)OC 34a_100000003586_100011201679 [0,2,0,0,0,0|2,0,0]=4 12523 B11R0.142 COCCSCC(C)C(=O)OC 62a_100000233755_100000698445 [0,2,0,0,0,0|2,0,0]=4 12524 B11R0.142 COCCSCC(C)C(=O)OC 62a_100000698445_100000233755 [0,2,0,0,0,0|2,0,0]=4 12525 B11R0.142 COCSCCC(C)C(=O)OC 62a_100000034942_100000766300 [0,2,0,0,0,0|2,0,0]=4 12526 B11R0.142 COCSCCC(C)C(=O)OC 62a_100000766300_100000034942 [0,2,0,0,0,0|2,0,0]=4 12527 B11R0.142 CSC(C)C(=O)CCCCC#N 1458a_100000149566_100000211819 [0,2,0,0,0,0|1,0,1]=4 12528 B11R0.142 CSC(C)C(=O)CCCCCF 1458a_100000149566_100000729378 [0,2,0,0,0,0|1,0,0]=3 12529 B11R0.142 CSC(C)C(=O)CCCCCO 1458a_100000149566_100000746330 [0,2,0,0,0,0|1,0,0]=3 12530 B11R0.142 CSC(C)C(=O)CCOCCO 1458a_100000149566_100011215305 [0,2,0,0,0,0|2,0,0]=4 12531 B11R0.142 CSC(C)C(=O)NCCCCO 240690a_100000750430_100000149566 [0,2,0,0,0,0|2,0,0]=4 12532 B11R0.142 CSC(C)C(=O)NCCCCO 527a_100000750430_100000149566 [0,2,0,0,0,0|2,0,0]=4 12533 B11R0.142 CSCCCNC(=O)C(C)C#N 11a_100000749238_100000753662 [0,2,0,0,0,0|2,0,0]=4 12534 B11R0.142 CSCCCNC(=O)C(C)C#N 1626a_100000749238_100000753662 [0,2,0,0,0,0|2,0,0]=4 12535 B11R0.142 CSCCCNC(=O)C(C)C#N 240690a_100000749238_100000753662 [0,2,0,0,0,0|2,0,0]=4 12536 B11R0.142 CSCCCNC(=O)C(C)C#N 527a_100000749238_100000753662 [0,2,0,0,0,0|2,0,0]=4 12537 B11R0.142 CSCCCNC(=O)C(C)SC 11a_100000749238_100000149566 [0,2,0,0,0,0|2,0,0]=4 12538 B11R0.142 CSCCCNC(=O)C(C)SC 1626a_100000749238_100000149566 [0,2,0,0,0,0|2,0,0]=4 12539 B11R0.142 CSCCCNC(=O)C(C)SC 240690a_100000749238_100000149566 [0,2,0,0,0,0|2,0,0]=4 12540 B11R0.142 CSCCCNC(=O)C(C)SC 527a_100000749238_100000149566 [0,2,0,0,0,0|2,0,0]=4 12541 B11R0.142 CSCCCNC(=O)C(O)CO 240690a_100000749238_100011215603 [0,2,0,0,0,0|2,0,0]=4 12542 B11R0.142 N#CCCCCC(=O)C(O)CO 1458a_100011215603_100000211819 [0,2,0,0,0,0|1,0,1]=4 12543 B11R0.142 O=C(CCCCCF)C(O)CO 1458a_100011215603_100000729378 [0,2,0,0,0,0|1,0,0]=3 12544 B11R0.142 O=C(CCCCCO)C(O)CO 1458a_100011215603_100000746330 [0,2,0,0,0,0|1,0,0]=3 12545 B11R0.142 O=C(CCOCCO)C(O)CO 1458a_100011215603_100011215305 [0,2,0,0,0,0|2,0,0]=4 12546 B11R0.142 O=C(NCCCCO)C(O)CO 240690a_100000750430_100011215603 [0,2,0,0,0,0|2,0,0]=4 12547 B11R0.155 C#CCC(=O)C(C)CCCCC 1458a_100011215998_100000184674 [0,2,0,0,0,0|0,0,1]=3 12548 B11R0.155 C#CCC(=O)C(C)CCCCC 1458a_100011220946_200011218191 [0,2,0,0,0,0|0,0,1]=3 12549 B11R0.155 C#CCC(=O)C(C)SCCCC 1458a_100000191163_100000184674 [0,2,0,0,0,0|1,0,1]=4 12550 B11R0.155 C#CCC(=O)N(C)CCCCC 1626a_100000223495_100011220946 [0,2,0,0,0,0|1,0,1]=4 12551 B11R0.155 C#CCC(=O)N(C)CCCCC 527a_100000223495_100011220946 [0,2,0,0,0,0|1,0,1]=4 12552 B11R0.155 C=C(COCCC)C(=O)OCC 34a_100000210258_100000755967 [0,2,0,0,0,0|1,0,1]=4 12553 B11R0.155 C=C(CSCCC)C(=O)OCC 62a_100000210303_100000755967 [0,2,0,0,0,0|1,0,1]=4 12554 B11R0.155 C=C(CSCCC)C(=O)OCC 62a_100000755967_100000210303 [0,2,0,0,0,0|1,0,1]=4 12555 B11R0.155 C=CCC(=O)C(C)CCCCC 1458a_100000210193_200011218191 [0,2,0,0,0,0|0,0,1]=3 12556 B11R0.155 C=CCC(=O)C(C)CCCCC 1458a_100011215998_100000210623 [0,2,0,0,0,0|0,0,1]=3 12557 B11R0.155 C=CCC(=O)C(C)SCCCC 1458a_100000191163_100000210623 [0,2,0,0,0,0|1,0,1]=4 12558 B11R0.155 C=CCC(=O)N(C)CCCCC 11a_100000223495_100000210193 [0,2,0,0,0,0|1,0,1]=4 12559 B11R0.155 C=CCC(=O)N(C)CCCCC 1626a_100000223495_100000210193 [0,2,0,0,0,0|1,0,1]=4 12560 B11R0.155 C=CCC(=O)N(C)CCCCC 240690a_100000223495_100000210193 [0,2,0,0,0,0|1,0,1]=4 12561 B11R0.155 C=CCC(=O)N(C)CCCCC 527a_100000223495_100000210193 [0,2,0,0,0,0|1,0,1]=4 12562 B11R0.155 CC#CC(=O)C(C)CCCCC 1458a_100000763181_200011218191 [0,2,0,0,0,0|0,0,1]=3 12563 B11R0.155 CC/C=C(\C)/C(=O)CCCCC 1458a_100016988807_100000210326 [0,2,0,0,0,0|1,0,1]=4 12564 B11R0.155 CC=CC(=O)C(C)CCCCC 1458a_100000210699_200011218191 [0,2,0,0,0,0|0,0,1]=3 12565 B11R0.155 CC=CC(=O)N(C)CCCCC 11a_100000223495_100000210699 [0,2,0,0,0,0|1,0,1]=4 12566 B11R0.155 CC=CC(=O)N(C)CCCCC 1626a_100000223495_100000210699 [0,2,0,0,0,0|1,0,1]=4 12567 B11R0.155 CC=CC(=O)N(C)CCCCC 240690a_100000223495_100000210699 [0,2,0,0,0,0|1,0,1]=4 12568 B11R0.155 CCCC(=O)N(C)CCCCO 240690a_100000717598_100000211992 [0,2,0,0,0,0|2,0,0]=4 12569 B11R0.155 CCCC(=O)N(C)CCCOC 11a_100000224831_100000211992 [0,2,0,0,0,0|2,0,0]=4 12570 B11R0.155 CCCC(=O)N(C)CCCOC 1626a_100000224831_100000211992 [0,2,0,0,0,0|2,0,0]=4 12571 B11R0.155 CCCC(=O)N(C)CCCOC 240690a_100000224831_100000211992 [0,2,0,0,0,0|2,0,0]=4 12572 B11R0.155 CCCC(=O)N(C)CCCOC 527a_100000224831_100000211992 [0,2,0,0,0,0|2,0,0]=4 12573 B11R0.155 CCCCCC(=O)C(=O)NCC 1458a_200011297158_100000210326 [0,2,0,0,0,0|0,0,1]=3 12574 B11R0.155 CCCCCC(C)C(=O)C=CBr 1458a_100016273825_200011218191 [0,2,0,0,0,0|0,0,2]=4 12575 B11R0.155 CCCCCC(C)C(=O)C=CCl 1458a_200016279998_200011218191 [0,2,0,0,0,0|0,0,2]=4 12576 B11R0.155 CCCCCC(C)C(=O)C=CI 1458a_100016256311_200011218191 [0,2,0,0,0,0|0,0,2]=4 12577 B11R0.155 CCCCCC(C)C(=O)CC#N 1458a_100011215998_100011214920 [0,2,0,0,0,0|0,0,1]=3 12578 B11R0.155 CCCCCC(C)C(=O)CC#N 1458a_100051588842_200011218191 [0,2,0,0,0,0|0,0,1]=3 12579 B11R0.155 CCCCCC(C)C(=O)CCC 1458a_100000211992_200011218191 [0,2,0,0,0,0|0,0,0]=2 12580 B11R0.155 CCCCCC(C)C(=O)CCC 1458a_100011215998_100000210303 [0,2,0,0,0,0|0,0,0]=2 12581 B11R0.155 CCCCCC(C)C(=O)CCF 1458a_100011215998_100011217306 [0,2,0,0,0,0|0,0,0]=2 12582 B11R0.155 CCCCCC(C)C(=O)CCO 1458a_100011215998_100000211926 [0,2,0,0,0,0|0,0,0]=2 12583 B11R0.155 CCCCCC(C)C(=O)CCO 1458a_100011216618_200011218191 [0,2,0,0,0,0|0,0,0]=2 12584 B11R0.155 CCCCCC(C)C(=O)COC 1458a_100000210968_200011218191 [0,2,0,0,0,0|0,0,0]=2 12585 B11R0.155 CCCCCC(C)C(=O)CSC 1458a_100000184570_200011218191 [0,2,0,0,0,0|0,0,0]=2 12586 B11R0.155 CCCCCC(C)C(=O)NCC 11a_100015525214_100011215998 [0,2,0,0,0,0|0,0,0]=2 12587 B11R0.155 CCCCCC(C)C(=O)NCC 240690a_100015525214_100011215998 [0,2,0,0,0,0|0,0,0]=2 12588 B11R0.155 CCCCCC(C)C(=O)NCC 527a_100015525214_100011215998 [0,2,0,0,0,0|0,0,0]=2 12589 B11R0.155 CCCCCC(C)C(=O)NNC 22a_100016993582_100011215998 [0,2,0,0,0,0|1,0,0]=3 12590 B11R0.155 CCCCCC(C)N(C)CCC 2230a_100000747261_200011218191 [0,2,0,0,0,0|2,0,0]=4 12591 B11R0.155 CCCCCC(C)N(C)CCC 269982a_100000747261_200011218191 [0,2,0,0,0,0|2,0,0]=4 12592 B11R0.155 CCCCCC(C)N(C)CCC 270004a_100000747261_100000211708 [0,2,0,0,0,0|2,0,0]=4 12593 B11R0.155 CCCCCC(C)N(C)CCO 2230a_100000210263_200011218191 [0,2,0,0,0,0|2,0,0]=4 12594 B11R0.155 CCCCCC(C)N(C)CCO 269982a_100000210263_200011218191 [0,2,0,0,0,0|2,0,0]=4 12595 B11R0.155 CCCCCC(C)N(C)CCO 270004a_100000210263_100000211708 [0,2,0,0,0,0|2,0,0]=4 12596 B11R0.155 CCCCCN(C)C(=O)CC#N 1626a_100000223495_100051588842 [0,2,0,0,0,0|1,0,1]=4 12597 B11R0.155 CCCCCN(C)C(=O)CC#N 240690a_100000223495_100051588842 [0,2,0,0,0,0|1,0,1]=4 12598 B11R0.155 CCCCCN(C)C(=O)CCC 11a_100000223495_100000211992 [0,2,0,0,0,0|1,0,0]=3 12599 B11R0.155 CCCCCN(C)C(=O)CCC 1626a_100000223495_100000211992 [0,2,0,0,0,0|1,0,0]=3 12600 B11R0.155 CCCCCN(C)C(=O)CCC 240690a_100000223495_100000211992 [0,2,0,0,0,0|1,0,0]=3 12601 B11R0.155 CCCCCN(C)C(=O)CCC 527a_100000223495_100000211992 [0,2,0,0,0,0|1,0,0]=3 12602 B11R0.155 CCCCCN(C)C(=O)CCO 240690a_100000223495_100011216618 [0,2,0,0,0,0|1,0,0]=3 12603 B11R0.155 CCCCCN(C)C(=O)COC 11a_100000223495_100000210968 [0,2,0,0,0,0|1,0,0]=3 12604 B11R0.155 CCCCCN(C)C(=O)COC 1626a_100000223495_100000210968 [0,2,0,0,0,0|1,0,0]=3 12605 B11R0.155 CCCCCN(C)C(=O)COC 240690a_100000223495_100000210968 [0,2,0,0,0,0|1,0,0]=3 12606 B11R0.155 CCCCCN(C)C(=O)COC 527a_100000223495_100000210968 [0,2,0,0,0,0|1,0,0]=3 12607 B11R0.155 CCCCCN(C)C(=O)CSC 11a_100000223495_100000184570 [0,2,0,0,0,0|1,0,0]=3 12608 B11R0.155 CCCCCN(C)C(=O)CSC 1626a_100000223495_100000184570 [0,2,0,0,0,0|1,0,0]=3 12609 B11R0.155 CCCCCN(C)C(=O)CSC 240690a_100000223495_100000184570 [0,2,0,0,0,0|1,0,0]=3 12610 B11R0.155 CCCCCN(C)C(=O)CSC 527a_100000223495_100000184570 [0,2,0,0,0,0|1,0,0]=3 12611 B11R0.155 CCCCCN(C)C(=O)NCC 2708a_100015525214_100000223495 [0,2,0,0,0,0|1,0,0]=3 12612 B11R0.155 CCCCCN(C)C(=O)NCC 273464a_100015525214_100000223495 [0,2,0,0,0,0|1,0,0]=3 12613 B11R0.155 CCCCNC(=O)C(=O)NCC 1626a_100000102301_200011297158 [0,2,0,0,0,0|1,0,1]=4 12614 B11R0.155 CCCCNC(=O)C(=O)NCC 240690a_100000102301_200011297158 [0,2,0,0,0,0|1,0,1]=4 12615 B11R0.155 CCCCNC(=O)C(=O)NCC 527a_100000102301_200011297158 [0,2,0,0,0,0|1,0,1]=4 12616 B11R0.155 CCCCNC(=O)C(=O)OCC 11a_100000102301_100014798877 [0,2,0,0,0,0|1,0,1]=4 12617 B11R0.155 CCCCNC(=O)C(=O)OCC 1626a_100000102301_100014798877 [0,2,0,0,0,0|1,0,1]=4 12618 B11R0.155 CCCCNC(=O)C(=O)OCC 240690a_100000102301_100014798877 [0,2,0,0,0,0|1,0,1]=4 12619 B11R0.155 CCCCNC(C)C(=O)NCC 2230a_100000102301_100000230173 [0,2,0,0,0,0|1,0,0]=3 12620 B11R0.155 CCCCNC(C)C(=O)NCC 2230a_100000736553_100000210211 [0,2,0,0,0,0|1,0,0]=3 12621 B11R0.155 CCCCNC(C)C(=O)NCC 34a_100000736553_100000210210 [0,2,0,0,0,0|1,0,0]=3 12622 B11R0.155 CCCCNC(C)C(=O)NCC 7a_106832991798_100000230173 [0,2,0,0,0,0|1,0,0]=3 12623 B11R0.155 CCCCNC(C)C(=O)OCC 2230a_100000102301_100011215307 [0,2,0,0,0,0|1,0,0]=3 12624 B11R0.155 CCCCNC(C)C(=O)OCC 7a_106832991798_100011216346 [0,2,0,0,0,0|1,0,0]=3 12625 B11R0.155 CCCCNC(F)C(=O)OCC 2230a_100000102301_100000760018 [0,2,0,0,0,0|1,0,0]=3 12626 B11R0.155 CCCCNC(F)C(=O)OCC 7a_106832991798_100000040065 [0,2,0,0,0,0|1,0,0]=3 12627 B11R0.155 CCCCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000210211 [0,2,0,0,0,0|1,0,0]=3 12628 B11R0.155 CCCCOC(C)C(=O)NCC 34a_100000210227_100000230173 [0,2,0,0,0,0|1,0,0]=3 12629 B11R0.155 CCCCOC(C)C(=O)NCC 7a_100000210227_100000230173 [0,2,0,0,0,0|1,0,0]=3 12630 B11R0.155 CCCCOC(C)C(=O)OCC 34a_100000210227_100011216346 [0,2,0,0,0,0|1,0,0]=3 12631 B11R0.155 CCCCOC(C)C(=O)OCC 7a_100000210227_100011216346 [0,2,0,0,0,0|1,0,0]=3 12632 B11R0.155 CCCCOC(F)C(=O)OCC 34a_100000210227_100000760018 [0,2,0,0,0,0|1,0,0]=3 12633 B11R0.155 CCCCOC(F)C(=O)OCC 7a_100000210227_100000040065 [0,2,0,0,0,0|1,0,0]=3 12634 B11R0.155 CCCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000210211 [0,2,0,0,0,0|1,0,0]=3 12635 B11R0.155 CCCCSC(C)C(=O)CC#N 1458a_100000191163_100011214920 [0,2,0,0,0,0|1,0,1]=4 12636 B11R0.155 CCCCSC(C)C(=O)CCC 1458a_100000191163_100000210303 [0,2,0,0,0,0|1,0,0]=3 12637 B11R0.155 CCCCSC(C)C(=O)CCF 1458a_100000191163_100011217306 [0,2,0,0,0,0|1,0,0]=3 12638 B11R0.155 CCCCSC(C)C(=O)CCO 1458a_100000191163_100000211926 [0,2,0,0,0,0|1,0,0]=3 12639 B11R0.155 CCCCSC(C)C(=O)NCC 11a_100015525214_100000191163 [0,2,0,0,0,0|1,0,0]=3 12640 B11R0.155 CCCCSC(C)C(=O)NCC 240690a_100015525214_100000191163 [0,2,0,0,0,0|1,0,0]=3 12641 B11R0.155 CCCCSC(C)C(=O)NCC 527a_100015525214_100000191163 [0,2,0,0,0,0|1,0,0]=3 12642 B11R0.155 CCCCSC(C)C(=O)NCC 62a_100000210211_100000230173 [0,2,0,0,0,0|1,0,0]=3 12643 B11R0.155 CCCCSC(C)C(=O)NCC 62a_100000230173_100000210210 [0,2,0,0,0,0|1,0,0]=3 12644 B11R0.155 CCCCSC(C)C(=O)NNC 22a_100016993582_100000191163 [0,2,0,0,0,0|2,0,0]=4 12645 B11R0.155 CCCCSC(C)C(=O)OCC 62a_100000210211_100011216346 [0,2,0,0,0,0|1,0,0]=3 12646 B11R0.155 CCCCSC(C)C(=O)OCC 62a_100011216346_100000210210 [0,2,0,0,0,0|1,0,0]=3 12647 B11R0.155 CCCCSC(F)C(=O)OCC 62a_100000210211_100000760018 [0,2,0,0,0,0|1,0,0]=3 12648 B11R0.155 CCCCSC(F)C(=O)OCC 62a_100000760018_100000210210 [0,2,0,0,0,0|1,0,0]=3 12649 B11R0.155 CCCSCC(=O)C(=O)OCC 62a_100000210303_100000211299 [0,2,0,0,0,0|1,0,1]=4 12650 B11R0.155 CCCSCC(=O)C(=O)OCC 62a_100000211299_100000210303 [0,2,0,0,0,0|1,0,1]=4 12651 B11R0.155 CCNC(=O)C(=O)CCCCF 1458a_200011297158_100000729493 [0,2,0,0,0,0|1,0,1]=4 12652 B11R0.155 CCNC(=O)C(=O)CCCCO 1458a_200011297158_100000210776 [0,2,0,0,0,0|1,0,1]=4 12653 B11R0.155 CCNC(=O)C(=O)CCCOC 1458a_200011297158_100000740836 [0,2,0,0,0,0|1,0,1]=4 12654 B11R0.155 CCNC(=O)C(=O)CCOCC 1458a_200011297158_100011215890 [0,2,0,0,0,0|1,0,1]=4 12655 B11R0.155 CCNC(=O)C(=O)CCSCC 1458a_200011297158_100000757381 [0,2,0,0,0,0|1,0,1]=4 12656 B11R0.155 CCNC(=O)C(C)NCCCF 2230a_100000736553_100011934791 [0,2,0,0,0,0|2,0,0]=4 12657 B11R0.155 CCNC(=O)C(C)NCCCF 2230a_100015189416_100000230173 [0,2,0,0,0,0|2,0,0]=4 12658 B11R0.155 CCNC(=O)C(C)NCCCF 34a_100000736553_100011934791 [0,2,0,0,0,0|2,0,0]=4 12659 B11R0.155 CCNC(=O)C(C)NCCCF 34a_100015189416_100000230173 [0,2,0,0,0,0|2,0,0]=4 12660 B11R0.155 CCNC(=O)C(C)NCCCO 2230a_100000736553_100000230001 [0,2,0,0,0,0|2,0,0]=4 12661 B11R0.155 CCNC(=O)C(C)NCCCO 34a_100000736553_100000230001 [0,2,0,0,0,0|2,0,0]=4 12662 B11R0.155 CCNC(=O)C(C)NCCOC 2230a_100000209980_100000230173 [0,2,0,0,0,0|2,0,0]=4 12663 B11R0.155 CCNC(=O)C(C)NCCOC 2230a_100000736553_100011201679 [0,2,0,0,0,0|2,0,0]=4 12664 B11R0.155 CCNC(=O)C(C)NCCOC 34a_100000736553_100011201679 [0,2,0,0,0,0|2,0,0]=4 12665 B11R0.155 CCNC(=O)C(C)NCCSC 2230a_100000736553_100000751147 [0,2,0,0,0,0|2,0,0]=4 12666 B11R0.155 CCNC(=O)C(C)NCCSC 2230a_100020590264_100000230173 [0,2,0,0,0,0|2,0,0]=4 12667 B11R0.155 CCNC(=O)C(C)NCCSC 34a_100000736553_100000212216 [0,2,0,0,0,0|2,0,0]=4 12668 B11R0.155 CCNC(=O)C(C)OCCCBr 34a_100011217188_100000230173 [0,2,0,0,0,0|2,0,0]=4 12669 B11R0.155 CCNC(=O)C(C)OCCCCl 34a_100000230001_100000230173 [0,2,0,0,0,0|2,0,0]=4 12670 B11R0.155 CCNC(=O)C(C)OCCCF 34a_100000759539_100000230173 [0,2,0,0,0,0|2,0,0]=4 12671 B11R0.155 CCNC(=O)C(C)OCCCN 34a_100000182051_100000230173 [0,2,0,0,0,0|2,0,0]=4 12672 B11R0.155 CCNC(=O)C(C)OCCOC 34a_100000210237_100000230173 [0,2,0,0,0,0|2,0,0]=4 12673 B11R0.155 CCNC(=O)C(C)OCCSC 34a_100000230434_100000230173 [0,2,0,0,0,0|2,0,0]=4 12674 B11R0.155 CCNC(=O)C(C)OCCSC 7a_100000230434_100000230173 [0,2,0,0,0,0|2,0,0]=4 12675 B11R0.155 CCNC(=O)C(C)SCCCF 62a_100000230173_100011934791 [0,2,0,0,0,0|2,0,0]=4 12676 B11R0.155 CCNC(=O)C(C)SCCCF 62a_100011934791_100000230173 [0,2,0,0,0,0|2,0,0]=4 12677 B11R0.155 CCNC(=O)C(C)SCCCO 62a_100000230173_100011215043 [0,2,0,0,0,0|2,0,0]=4 12678 B11R0.155 CCNC(=O)C(C)SCCCO 62a_100011215043_100000230173 [0,2,0,0,0,0|2,0,0]=4 12679 B11R0.155 CCNC(=O)C(C)SCCOC 62a_100000230173_100000233755 [0,2,0,0,0,0|2,0,0]=4 12680 B11R0.155 CCNC(=O)C(C)SCCOC 62a_100000233755_100000230173 [0,2,0,0,0,0|2,0,0]=4 12681 B11R0.155 CCNC(=O)C(C)SCCSC 62a_100000212216_100000230173 [0,2,0,0,0,0|2,0,0]=4 12682 B11R0.155 CCNC(=O)C(C)SCCSC 62a_100000230173_100000751147 [0,2,0,0,0,0|2,0,0]=4 12683 B11R0.155 CCNC(=O)C(C)SCOCC 62a_100000230173_100000739092 [0,2,0,0,0,0|2,0,0]=4 12684 B11R0.155 CCNC(=O)C(C)SCOCC 62a_100000739092_100000230173 [0,2,0,0,0,0|2,0,0]=4 12685 B11R0.155 CCNC(=O)N(C)CCCCO 2708a_100015525214_100000717598 [0,2,0,0,0,0|2,0,0]=4 12686 B11R0.155 CCNC(=O)N(C)CCCCO 273464a_100015525214_100000717598 [0,2,0,0,0,0|2,0,0]=4 12687 B11R0.155 CCNC(=O)N(C)CCCOC 2708a_100015525214_100000224831 [0,2,0,0,0,0|2,0,0]=4 12688 B11R0.155 CCNC(=O)N(C)CCCOC 273464a_100015525214_100000224831 [0,2,0,0,0,0|2,0,0]=4 12689 B11R0.155 CCOC(=O)C(C)NCCCF 2230a_100015189416_100011215307 [0,2,0,0,0,0|2,0,0]=4 12690 B11R0.155 CCOC(=O)C(C)NCCCF 34a_100015189416_100011216346 [0,2,0,0,0,0|2,0,0]=4 12691 B11R0.155 CCOC(=O)C(C)NCCOC 2230a_100000209980_100011215307 [0,2,0,0,0,0|2,0,0]=4 12692 B11R0.155 CCOC(=O)C(C)NCCSC 2230a_100020590264_100011215307 [0,2,0,0,0,0|2,0,0]=4 12693 B11R0.155 CCOC(=O)C(C)OCCCBr 34a_100011217188_100011216346 [0,2,0,0,0,0|2,0,0]=4 12694 B11R0.155 CCOC(=O)C(C)OCCCCl 34a_100000230001_100011216346 [0,2,0,0,0,0|2,0,0]=4 12695 B11R0.155 CCOC(=O)C(C)OCCCF 34a_100000759539_100011216346 [0,2,0,0,0,0|2,0,0]=4 12696 B11R0.155 CCOC(=O)C(C)OCCCN 34a_100000182051_100011216346 [0,2,0,0,0,0|2,0,0]=4 12697 B11R0.155 CCOC(=O)C(C)OCCOC 34a_100000210237_100011216346 [0,2,0,0,0,0|2,0,0]=4 12698 B11R0.155 CCOC(=O)C(C)OCCSC 34a_100000230434_100011216346 [0,2,0,0,0,0|2,0,0]=4 12699 B11R0.155 CCOC(=O)C(C)OCCSC 7a_100000230434_100011216346 [0,2,0,0,0,0|2,0,0]=4 12700 B11R0.155 CCOC(=O)C(C)SCCCF 62a_100011216346_100011934791 [0,2,0,0,0,0|2,0,0]=4 12701 B11R0.155 CCOC(=O)C(C)SCCCF 62a_100011934791_100011216346 [0,2,0,0,0,0|2,0,0]=4 12702 B11R0.155 CCOC(=O)C(C)SCCCO 62a_100011215043_100011216346 [0,2,0,0,0,0|2,0,0]=4 12703 B11R0.155 CCOC(=O)C(C)SCCCO 62a_100011216346_100011215043 [0,2,0,0,0,0|2,0,0]=4 12704 B11R0.155 CCOC(=O)C(C)SCCOC 62a_100000233755_100011216346 [0,2,0,0,0,0|2,0,0]=4 12705 B11R0.155 CCOC(=O)C(C)SCCOC 62a_100011216346_100000233755 [0,2,0,0,0,0|2,0,0]=4 12706 B11R0.155 CCOC(=O)C(C)SCCSC 62a_100000212216_100011216346 [0,2,0,0,0,0|2,0,0]=4 12707 B11R0.155 CCOC(=O)C(C)SCCSC 62a_100011216346_100000751147 [0,2,0,0,0,0|2,0,0]=4 12708 B11R0.155 CCOC(=O)C(F)NCCCF 2230a_100015189416_100000760018 [0,2,0,0,0,0|2,0,0]=4 12709 B11R0.155 CCOC(=O)C(F)NCCCF 34a_100015189416_100000760018 [0,2,0,0,0,0|2,0,0]=4 12710 B11R0.155 CCOC(=O)C(F)NCCOC 2230a_100000209980_100000760018 [0,2,0,0,0,0|2,0,0]=4 12711 B11R0.155 CCOC(=O)C(F)NCCSC 2230a_100020590264_100000760018 [0,2,0,0,0,0|2,0,0]=4 12712 B11R0.155 CCOC(=O)C(F)OCCCBr 34a_100011217188_100000760018 [0,2,0,0,0,0|2,0,0]=4 12713 B11R0.155 CCOC(=O)C(F)OCCCCl 34a_100000230001_100000760018 [0,2,0,0,0,0|2,0,0]=4 12714 B11R0.155 CCOC(=O)C(F)OCCCF 34a_100000759539_100000760018 [0,2,0,0,0,0|2,0,0]=4 12715 B11R0.155 CCOC(=O)C(F)OCCCN 34a_100000182051_100000760018 [0,2,0,0,0,0|2,0,0]=4 12716 B11R0.155 CCOC(=O)C(F)OCCOC 34a_100000210237_100000760018 [0,2,0,0,0,0|2,0,0]=4 12717 B11R0.155 CCOC(=O)C(F)OCCSC 34a_100000230434_100000760018 [0,2,0,0,0,0|2,0,0]=4 12718 B11R0.155 CCOC(=O)C(F)OCCSC 7a_100000230434_100000040065 [0,2,0,0,0,0|2,0,0]=4 12719 B11R0.155 CCOC(=O)C(F)SCCCF 62a_100000760018_100011934791 [0,2,0,0,0,0|2,0,0]=4 12720 B11R0.155 CCOC(=O)C(F)SCCCF 62a_100011934791_100000760018 [0,2,0,0,0,0|2,0,0]=4 12721 B11R0.155 CCOC(=O)C(F)SCCCO 62a_100000760018_100011215043 [0,2,0,0,0,0|2,0,0]=4 12722 B11R0.155 CCOC(=O)C(F)SCCCO 62a_100011215043_100000760018 [0,2,0,0,0,0|2,0,0]=4 12723 B11R0.155 CCOC(=O)C(F)SCCOC 62a_100000233755_100000760018 [0,2,0,0,0,0|2,0,0]=4 12724 B11R0.155 CCOC(=O)C(F)SCCOC 62a_100000760018_100000233755 [0,2,0,0,0,0|2,0,0]=4 12725 B11R0.155 CCOC(=O)C(F)SCCSC 62a_100000212216_100000760018 [0,2,0,0,0,0|2,0,0]=4 12726 B11R0.155 CCOC(=O)C(F)SCCSC 62a_100000760018_100000751147 [0,2,0,0,0,0|2,0,0]=4 12727 B11R0.155 CCOC(=O)[C@H](C)OCCCF 7a_100000751109_100011934791 [0,2,0,0,0,0|2,0,0]=4 12728 B11R0.155 CCOC(=O)[C@H](C)OCCCO 7a_100000751109_100011215043 [0,2,0,0,0,0|2,0,0]=4 12729 B11R0.155 CCOC(=O)[C@H](C)OCCOC 7a_100000751109_100000233755 [0,2,0,0,0,0|2,0,0]=4 12730 B11R0.155 CCOC(=O)[C@H](C)OCCSC 7a_100000751109_100000212216 [0,2,0,0,0,0|2,0,0]=4 12731 B11R0.155 CCOCSC(C)C(=O)OCC 62a_100000739092_100011216346 [0,2,0,0,0,0|2,0,0]=4 12732 B11R0.155 CCOCSC(C)C(=O)OCC 62a_100011216346_100000739092 [0,2,0,0,0,0|2,0,0]=4 12733 B11R0.155 CCOCSC(F)C(=O)OCC 62a_100000739092_100000760018 [0,2,0,0,0,0|2,0,0]=4 12734 B11R0.155 CCOCSC(F)C(=O)OCC 62a_100000760018_100000739092 [0,2,0,0,0,0|2,0,0]=4 12735 B11R0.155 CCSC(=O)[C@H](C)NCCCF 2230a_100103168634_100011934791 [0,2,0,0,0,0|2,0,0]=4 12736 B11R0.155 CCSC(=O)[C@H](C)NCCCO 2230a_100103168634_100000230001 [0,2,0,0,0,0|2,0,0]=4 12737 B11R0.155 CCSC(=O)[C@H](C)NCCOC 2230a_100103168634_100011201679 [0,2,0,0,0,0|2,0,0]=4 12738 B11R0.155 CCSC(=O)[C@H](C)NCCSC 2230a_100103168634_100000751147 [0,2,0,0,0,0|2,0,0]=4 12739 B11R0.155 CN(CCCCO)C(=O)CCO 240690a_100000717598_100011216618 [0,2,0,0,0,0|2,0,0]=4 12740 B11R0.155 COCC(=O)N(C)CCCCO 240690a_100000717598_100000210968 [0,2,0,0,0,0|2,0,0]=4 12741 B11R0.155 COCCCN(C)C(=O)CCO 240690a_100000224831_100011216618 [0,2,0,0,0,0|2,0,0]=4 12742 B11R0.155 COCCCN(C)C(=O)COC 11a_100000224831_100000210968 [0,2,0,0,0,0|2,0,0]=4 12743 B11R0.155 COCCCN(C)C(=O)COC 1626a_100000224831_100000210968 [0,2,0,0,0,0|2,0,0]=4 12744 B11R0.155 COCCCN(C)C(=O)COC 240690a_100000224831_100000210968 [0,2,0,0,0,0|2,0,0]=4 12745 B11R0.155 COCCCN(C)C(=O)COC 527a_100000224831_100000210968 [0,2,0,0,0,0|2,0,0]=4 12746 B11R0.155 COCCCN(C)C(=O)CSC 11a_100000224831_100000184570 [0,2,0,0,0,0|2,0,0]=4 12747 B11R0.155 COCCCN(C)C(=O)CSC 1626a_100000224831_100000184570 [0,2,0,0,0,0|2,0,0]=4 12748 B11R0.155 COCCCN(C)C(=O)CSC 240690a_100000224831_100000184570 [0,2,0,0,0,0|2,0,0]=4 12749 B11R0.155 COCCCN(C)C(=O)CSC 527a_100000224831_100000184570 [0,2,0,0,0,0|2,0,0]=4 12750 B11R0.155 CSCC(=O)N(C)CCCCO 240690a_100000717598_100000184570 [0,2,0,0,0,0|2,0,0]=4 12751 B11R0.161 C#CCN(CC)CCCCCC 2230a_100000744766_100000210314 [0,2,0,0,0,0|2,0,0]=4 12752 B11R0.161 C#CCN(CC)CCCCCC 269982a_100000744766_100000210757 [0,2,0,0,0,0|2,0,0]=4 12753 B11R0.161 C=CC(CCCCCC)OCC 34a_200011215977_100000210202 [0,2,0,0,0,0|1,0,1]=4 12754 B11R0.161 C=CC(CCCCCC)OCC 7a_200011215977_100000210202 [0,2,0,0,0,0|1,0,1]=4 12755 B11R0.161 CCCCCCC(CC)NCC 270004a_100015525214_100011219640 [0,2,0,0,0,0|1,0,1]=4 12756 B11R0.161 CCCCCCC(CC)OCC 34a_100011215785_100000210202 [0,2,0,0,0,0|0,0,2]=4 12757 B11R0.161 CCCCCCC(CC)OCC 7a_100011215785_100000210202 [0,2,0,0,0,0|0,0,2]=4 12758 B11R0.161 CCCCCCC(CC)OCF 34a_100011215785_100015361967 [0,2,0,0,0,0|0,0,2]=4 12759 B11R0.161 CCCCCCC(CC)OCF 7a_100011215785_100015361967 [0,2,0,0,0,0|0,0,2]=4 12760 B11R0.161 CCCCCCC(CCC)NC 270004a_106832991635_200011215359 [0,2,0,0,0,0|1,0,1]=4 12761 B11R0.161 CCCCCCC(CCC)OC 34a_200011215193_200000210301 [0,2,0,0,0,0|0,0,2]=4 12762 B11R0.161 CCCCCCC(CCC)OC 7a_200011215193_200000210301 [0,2,0,0,0,0|0,0,2]=4 12763 B11R0.161 CCCCCCC(CCC)O[13CH3] 34a_200011215193_200025704644 [0,2,0,0,0,0|0,0,2]=4 12764 B11R0.161 CCCCCCC(CCC)O[13CH3] 7a_200011215193_200025704644 [0,2,0,0,0,0|0,0,2]=4 12765 B11R0.161 CCCCCCN(CC)CCC 2230a_100000226822_100000210314 [0,2,0,0,0,0|2,0,0]=4 12766 B11R0.161 CCCCCCN(CC)CCC 269982a_100000226822_100000210757 [0,2,0,0,0,0|2,0,0]=4 12767 B11R0.161 CCCCCCN(CC)CCO 2230a_100000210973_100000210314 [0,2,0,0,0,0|1,0,1]=4 12768 B11R0.161 CCCCCCN(CC)CCO 269982a_100000210973_100000210757 [0,2,0,0,0,0|1,0,1]=4 12769 B11R0.174 C#CCC(=O)CCCN(C)CC 1458a_100011220946_100015186262 [0,2,0,0,0,0|1,0,1]=4 12770 B11R0.174 C#CCC(=O)NCCC(C)CC 1626a_100020591266_100011220946 [0,2,0,0,0,0|1,0,1]=4 12771 B11R0.174 C#CCC(=O)NCCC(C)CC 527a_100020591266_100011220946 [0,2,0,0,0,0|1,0,1]=4 12772 B11R0.174 C=CCC(=O)CCCN(C)CC 1458a_100000210193_100015186262 [0,2,0,0,0,0|1,0,1]=4 12773 B11R0.174 C=CCC(=O)NCCC(C)CC 11a_100020591266_100000210193 [0,2,0,0,0,0|1,0,1]=4 12774 B11R0.174 C=CCC(=O)NCCC(C)CC 1626a_100020591266_100000210193 [0,2,0,0,0,0|1,0,1]=4 12775 B11R0.174 C=CCC(=O)NCCC(C)CC 240690a_100020591266_100000210193 [0,2,0,0,0,0|1,0,1]=4 12776 B11R0.174 C=CCC(=O)NCCC(C)CC 527a_100020591266_100000210193 [0,2,0,0,0,0|1,0,1]=4 12777 B11R0.174 C=CCC(C)COCC(=O)CC 7a_100009832082_100000747405 [0,2,0,0,0,0|0,0,2]=4 12778 B11R0.174 CC#CC(=O)CCCN(C)CC 1458a_100000763181_100015186262 [0,2,0,0,0,0|1,0,1]=4 12779 B11R0.174 CC(CO)CCNC(=O)CCO 240690a_106354213184_100011216618 [0,2,0,0,0,0|2,0,0]=4 12780 B11R0.174 CC=CC(=O)CCCN(C)CC 1458a_100000210699_100015186262 [0,2,0,0,0,0|1,0,1]=4 12781 B11R0.174 CC=CC(=O)NCCC(C)CC 11a_100020591266_100000210699 [0,2,0,0,0,0|1,0,1]=4 12782 B11R0.174 CC=CC(=O)NCCC(C)CC 1626a_100020591266_100000210699 [0,2,0,0,0,0|1,0,1]=4 12783 B11R0.174 CC=CC(=O)NCCC(C)CC 240690a_100020591266_100000210699 [0,2,0,0,0,0|1,0,1]=4 12784 B11R0.174 CCC(=O)COCC(O)COC 34a_100000725409_100011215053 [0,2,0,0,0,0|1,0,0]=3 12785 B11R0.174 CCC(=O)CSCC(O)COC 62a_100000747405_100011215053 [0,2,0,0,0,0|1,0,0]=3 12786 B11R0.174 CCC(=O)CSCC(O)COC 62a_100011215053_100000747405 [0,2,0,0,0,0|1,0,0]=3 12787 B11R0.174 CCC(=O)CSC[C@@H](O)CC#N 62a_100000001066_100000747405 [0,2,0,0,0,0|1,0,1]=4 12788 B11R0.174 CCC(=O)CSC[C@@H](O)CC#N 62a_100000747405_100000001066 [0,2,0,0,0,0|1,0,1]=4 12789 B11R0.174 CCC(=O)NNCC(O)CSC 22a_200000122717_100000210414 [0,2,0,0,0,0|2,0,0]=4 12790 B11R0.174 CCC(C)CCNC(=O)CC#N 1626a_100020591266_100051588842 [0,2,0,0,0,0|1,0,1]=4 12791 B11R0.174 CCC(C)CCNC(=O)CC#N 240690a_100020591266_100051588842 [0,2,0,0,0,0|1,0,1]=4 12792 B11R0.174 CCC(C)CCNC(=O)CCO 240690a_100020591266_100011216618 [0,2,0,0,0,0|1,0,0]=3 12793 B11R0.174 CCC(C)CCNC(=O)COC 11a_100020591266_100000210968 [0,2,0,0,0,0|1,0,0]=3 12794 B11R0.174 CCC(C)CCNC(=O)COC 1626a_100020591266_100000210968 [0,2,0,0,0,0|1,0,0]=3 12795 B11R0.174 CCC(C)CCNC(=O)COC 240690a_100020591266_100000210968 [0,2,0,0,0,0|1,0,0]=3 12796 B11R0.174 CCC(C)CCNC(=O)COC 527a_100020591266_100000210968 [0,2,0,0,0,0|1,0,0]=3 12797 B11R0.174 CCC(C)CCNC(=O)CSC 11a_100020591266_100000184570 [0,2,0,0,0,0|1,0,0]=3 12798 B11R0.174 CCC(C)CCNC(=O)CSC 1626a_100020591266_100000184570 [0,2,0,0,0,0|1,0,0]=3 12799 B11R0.174 CCC(C)CCNC(=O)CSC 240690a_100020591266_100000184570 [0,2,0,0,0,0|1,0,0]=3 12800 B11R0.174 CCC(C)CCNC(=O)CSC 527a_100020591266_100000184570 [0,2,0,0,0,0|1,0,0]=3 12801 B11R0.174 CCC(C)CCNC(=O)NNC 273464a_100020591266_100016993582 [0,2,0,0,0,0|2,0,0]=4 12802 B11R0.174 CCC(C)CCNC(=O)NNC 512a_100016993582_100020591266 [0,2,0,0,0,0|2,0,0]=4 12803 B11R0.174 CCC(C)CCNC(=O)NNC 512a_100020591266_100016993582 [0,2,0,0,0,0|2,0,0]=4 12804 B11R0.174 CCC(C)CNCC(=O)NCO 2230a_100020588543_100000185155 [0,2,0,0,0,0|2,0,0]=4 12805 B11R0.174 CCC(C)CSCC(=O)NCO 62a_100000185155_100000748023 [0,2,0,0,0,0|2,0,0]=4 12806 B11R0.174 CCC(C)CSCC(=O)NCO 62a_100000748023_100000185155 [0,2,0,0,0,0|2,0,0]=4 12807 B11R0.174 CCC(O)CNCC(=O)NCO 2230a_100011218483_100000185155 [0,2,0,0,0,0|2,0,0]=4 12808 B11R0.174 CCC(O)CNNC(=O)CCO 22a_100015206393_100011216618 [0,2,0,0,0,0|2,0,0]=4 12809 B11R0.174 CCC(O)CNNC(=O)COC 22a_100015206393_100000210968 [0,2,0,0,0,0|2,0,0]=4 12810 B11R0.174 CCC(O)CNNC(=O)CSC 22a_100015206393_100000184570 [0,2,0,0,0,0|2,0,0]=4 12811 B11R0.174 CCC(O)CSCC(=O)NCO 62a_100000185155_100011218378 [0,2,0,0,0,0|2,0,0]=4 12812 B11R0.174 CCC(O)CSCC(=O)NCO 62a_100011218378_100000185155 [0,2,0,0,0,0|2,0,0]=4 12813 B11R0.174 CCCC(=O)CCCC(=O)NC 1458a_100000211992_100000741757 [0,2,0,0,0,0|1,0,0]=3 12814 B11R0.174 CCCC(=O)CCCC(=O)OC 1458a_100000211992_100011218270 [0,2,0,0,0,0|1,0,0]=3 12815 B11R0.174 CCCC(=O)CCCC(=O)OC 1458a_100000239890_100000210303 [0,2,0,0,0,0|1,0,0]=3 12816 B11R0.174 CCCC(=O)CCCN(C)CC 1458a_100000211992_100015186262 [0,2,0,0,0,0|1,0,0]=3 12817 B11R0.174 CCCC(=O)CCOC(=O)NC 1458a_100000211992_200011997002 [0,2,0,0,0,0|1,0,1]=4 12818 B11R0.174 CCCC(=O)CNCC(=O)NC 2230a_100000693194_100000747444 [0,2,0,0,0,0|1,0,1]=4 12819 B11R0.174 CCCC(=O)CNCC(C)CC 2230a_100020588543_100000747444 [0,2,0,0,0,0|1,0,0]=3 12820 B11R0.174 CCCC(=O)CNCC(O)CC 2230a_100011218483_100000747444 [0,2,0,0,0,0|1,0,0]=3 12821 B11R0.174 CCCC(=O)CNC[C@@H](C)OC 2230a_100020591295_100000747444 [0,2,0,0,0,0|2,0,0]=4 12822 B11R0.174 CCCC(=O)CNC[C@H](O)CO 2230a_100020644852_100000747444 [0,2,0,0,0,0|2,0,0]=4 12823 B11R0.174 CCCC(=O)COC[C@@H](C)CC 7a_100009816381_100000747444 [0,2,0,0,0,0|1,0,0]=3 12824 B11R0.174 CCCC(=O)CSCC(=O)CC 62a_100000747405_100000747444 [0,2,0,0,0,0|0,0,1]=3 12825 B11R0.174 CCCC(=O)CSCC(=O)CC 62a_100000747444_100000747405 [0,2,0,0,0,0|0,0,1]=3 12826 B11R0.174 CCCC(=O)CSCC(=O)NC 62a_100000183359_100000747444 [0,2,0,0,0,0|1,0,1]=4 12827 B11R0.174 CCCC(=O)CSCC(=O)NC 62a_100000747444_100000183359 [0,2,0,0,0,0|1,0,1]=4 12828 B11R0.174 CCCC(=O)CSCC(=O)OC 1458a_100000191316_100000210303 [0,2,0,0,0,0|1,0,1]=4 12829 B11R0.174 CCCC(=O)CSCC(=O)OC 62a_100000747444_100000747449 [0,2,0,0,0,0|1,0,1]=4 12830 B11R0.174 CCCC(=O)CSCC(=O)OC 62a_100000747449_100000747444 [0,2,0,0,0,0|1,0,1]=4 12831 B11R0.174 CCCC(=O)CSCC(C)CC 62a_100000747444_100000748023 [0,2,0,0,0,0|1,0,0]=3 12832 B11R0.174 CCCC(=O)CSCC(C)CC 62a_100000748023_100000747444 [0,2,0,0,0,0|1,0,0]=3 12833 B11R0.174 CCCC(=O)CSCC(O)CC 62a_100000747444_100011218378 [0,2,0,0,0,0|1,0,0]=3 12834 B11R0.174 CCCC(=O)CSCC(O)CC 62a_100011218378_100000747444 [0,2,0,0,0,0|1,0,0]=3 12835 B11R0.174 CCCC(=O)CSCC(O)CO 62a_100000747444_100011219619 [0,2,0,0,0,0|2,0,0]=4 12836 B11R0.174 CCCC(=O)CSCC(O)CO 62a_100011219619_100000747444 [0,2,0,0,0,0|2,0,0]=4 12837 B11R0.174 CCCC(=O)CSC[C@@H](C)CC 62a_100000747444_100009816398 [0,2,0,0,0,0|1,0,0]=3 12838 B11R0.174 CCCC(=O)CSC[C@@H](C)CC 62a_100009816398_100000747444 [0,2,0,0,0,0|1,0,0]=3 12839 B11R0.174 CCCC(=O)CSC[C@@H](C)CO 62a_100000059175_100000747444 [0,2,0,0,0,0|2,0,0]=4 12840 B11R0.174 CCCC(=O)CSC[C@@H](C)CO 62a_100000747444_100000059175 [0,2,0,0,0,0|2,0,0]=4 12841 B11R0.174 CCCC(=O)CSC[C@@H](O)CF 62a_100000747444_100015614560 [0,2,0,0,0,0|2,0,0]=4 12842 B11R0.174 CCCC(=O)CSC[C@@H](O)CF 62a_100015614560_100000747444 [0,2,0,0,0,0|2,0,0]=4 12843 B11R0.174 CCCC(=O)CSC[C@@H](O)CO 62a_100000747444_100009815848 [0,2,0,0,0,0|2,0,0]=4 12844 B11R0.174 CCCC(=O)CSC[C@@H](O)CO 62a_100009815848_100000747444 [0,2,0,0,0,0|2,0,0]=4 12845 B11R0.174 CCCC(=O)NCCC(=O)NC 11a_100000738227_100000211992 [0,2,0,0,0,0|1,0,1]=4 12846 B11R0.174 CCCC(=O)NCCC(=O)NC 240690a_100000738227_100000211992 [0,2,0,0,0,0|1,0,1]=4 12847 B11R0.174 CCCC(=O)NCCC(=O)NC 527a_100000738227_100000211992 [0,2,0,0,0,0|1,0,1]=4 12848 B11R0.174 CCCC(=O)NCCC(=O)OC 188690a_100000683876_100000211992 [0,2,0,0,0,0|1,0,1]=4 12849 B11R0.174 CCCC(=O)NCCC(C)CC 11a_100020591266_100000211992 [0,2,0,0,0,0|1,0,0]=3 12850 B11R0.174 CCCC(=O)NCCC(C)CC 1626a_100020591266_100000211992 [0,2,0,0,0,0|1,0,0]=3 12851 B11R0.174 CCCC(=O)NCCC(C)CC 240690a_100020591266_100000211992 [0,2,0,0,0,0|1,0,0]=3 12852 B11R0.174 CCCC(=O)NCCC(C)CC 527a_100020591266_100000211992 [0,2,0,0,0,0|1,0,0]=3 12853 B11R0.174 CCCC(=O)NCCC(C)CO 240690a_106354213184_100000211992 [0,2,0,0,0,0|2,0,0]=4 12854 B11R0.174 CCCC(=O)NCCC(C)CO 527a_106354213184_100000211992 [0,2,0,0,0,0|2,0,0]=4 12855 B11R0.174 CCCC(=O)NNCC(O)CC 22a_100015206393_100000211992 [0,2,0,0,0,0|2,0,0]=4 12856 B11R0.174 CCCC(=O)OCNC(C)CC 2230a_100000209981_100000034017 [0,2,0,0,0,0|2,0,0]=4 12857 B11R0.174 CCCC(=O)OCSC(C)CC 62a_100000758301_100000034017 [0,2,0,0,0,0|2,0,0]=4 12858 B11R0.174 CCCC(C)C=NNC(=O)CC 4a_100000183195_100000243154 [0,2,0,0,0,0|1,0,1]=4 12859 B11R0.174 CCCC(C)CCOC(C)CC 34a_100011217855_100011215416 [0,2,0,0,0,0|1,0,1]=4 12860 B11R0.174 CCCC(C)CCOC(C)CC 7a_100011217855_100000758301 [0,2,0,0,0,0|1,0,1]=4 12861 B11R0.174 CCCC(C)CNCC(=O)NC 2230a_100000693194_100011216630 [0,2,0,0,0,0|1,0,0]=3 12862 B11R0.174 CCCC(C)CNCC(=O)NC 270004a_100000693194_100000243154 [0,2,0,0,0,0|1,0,0]=3 12863 B11R0.174 CCCC(C)CNCC(C)CC 2230a_100020588543_100011216630 [0,2,0,0,0,0|1,0,1]=4 12864 B11R0.174 CCCC(C)CNCC(C)CC 270004a_100020588543_100000243154 [0,2,0,0,0,0|1,0,1]=4 12865 B11R0.174 CCCC(C)CNCC(O)CC 2230a_100011218483_100011216630 [0,2,0,0,0,0|0,0,2]=4 12866 B11R0.174 CCCC(C)CNCC(O)CC 270004a_100011218483_100000243154 [0,2,0,0,0,0|0,0,2]=4 12867 B11R0.174 CCCC(C)COCC(=O)CC 34a_100000725409_100011216630 [0,2,0,0,0,0|0,0,0]=2 12868 B11R0.174 CCCC(C)COCC(=O)CC 7a_100000688023_100000747405 [0,2,0,0,0,0|0,0,0]=2 12869 B11R0.174 CCCC(C)COCC(=O)NC 34a_100000688023_100000183359 [0,2,0,0,0,0|1,0,0]=3 12870 B11R0.174 CCCC(C)COCC(=O)NC 34a_100000750040_100011216630 [0,2,0,0,0,0|1,0,0]=3 12871 B11R0.174 CCCC(C)COCC(=O)NC 7a_100000688023_100000183359 [0,2,0,0,0,0|1,0,0]=3 12872 B11R0.174 CCCC(C)COCC(=O)OC 34a_100000688023_100000747449 [0,2,0,0,0,0|1,0,0]=3 12873 B11R0.174 CCCC(C)COCC(=O)OC 7a_100000688023_100000747449 [0,2,0,0,0,0|1,0,0]=3 12874 B11R0.174 CCCC(C)COCC(C)CC 34a_100000688023_100000748023 [0,2,0,0,0,0|1,0,1]=4 12875 B11R0.174 CCCC(C)COCC(C)CC 7a_100000688023_100000748023 [0,2,0,0,0,0|1,0,1]=4 12876 B11R0.174 CCCC(C)COCC(O)CC 34a_100000688023_100011218378 [0,2,0,0,0,0|0,0,2]=4 12877 B11R0.174 CCCC(C)COCC(O)CC 7a_100000688023_100011218378 [0,2,0,0,0,0|0,0,2]=4 12878 B11R0.174 CCCC(C)COC[C@@H](C)CC 34a_100000688023_100009816398 [0,2,0,0,0,0|1,0,1]=4 12879 B11R0.174 CCCC(C)COC[C@@H](C)CC 7a_100000688023_100009816398 [0,2,0,0,0,0|1,0,1]=4 12880 B11R0.174 CCCC(C)COC[C@@H](C)CC 7a_100009816381_100011216630 [0,2,0,0,0,0|1,0,1]=4 12881 B11R0.174 CCCC(C)CSCC(=O)CC 62a_100000747405_100011216630 [0,2,0,0,0,0|0,0,0]=2 12882 B11R0.174 CCCC(C)CSCC(=O)CC 62a_100011216630_100000747405 [0,2,0,0,0,0|0,0,0]=2 12883 B11R0.174 CCCC(C)CSCC(=O)NC 62a_100000183359_100011216630 [0,2,0,0,0,0|1,0,0]=3 12884 B11R0.174 CCCC(C)CSCC(=O)NC 62a_100011216630_100000183359 [0,2,0,0,0,0|1,0,0]=3 12885 B11R0.174 CCCC(C)CSCC(=O)OC 62a_100000747449_100011216630 [0,2,0,0,0,0|1,0,0]=3 12886 B11R0.174 CCCC(C)CSCC(=O)OC 62a_100011216630_100000747449 [0,2,0,0,0,0|1,0,0]=3 12887 B11R0.174 CCCC(C)CSCC(C)CC 62a_100000748023_100011216630 [0,2,0,0,0,0|1,0,1]=4 12888 B11R0.174 CCCC(C)CSCC(C)CC 62a_100011216630_100000748023 [0,2,0,0,0,0|1,0,1]=4 12889 B11R0.174 CCCC(C)CSCC(O)CC 62a_100011216630_100011218378 [0,2,0,0,0,0|0,0,2]=4 12890 B11R0.174 CCCC(C)CSCC(O)CC 62a_100011218378_100011216630 [0,2,0,0,0,0|0,0,2]=4 12891 B11R0.174 CCCC(C)CSC[C@@H](C)CC 62a_100009816398_100011216630 [0,2,0,0,0,0|1,0,1]=4 12892 B11R0.174 CCCC(C)CSC[C@@H](C)CC 62a_100011216630_100009816398 [0,2,0,0,0,0|1,0,1]=4 12893 B11R0.174 CCCC(C)NCCC(=O)NC 2230a_100000738227_100000766640 [0,2,0,0,0,0|1,0,0]=3 12894 B11R0.174 CCCC(C)NCCC(=O)NC 2230a_100000741246_100000737683 [0,2,0,0,0,0|1,0,0]=3 12895 B11R0.174 CCCC(C)NCCC(=O)NC 270004a_100000738227_100000211909 [0,2,0,0,0,0|1,0,0]=3 12896 B11R0.174 CCCC(C)NCCC(=O)NC 34a_100000738227_100000766640 [0,2,0,0,0,0|1,0,0]=3 12897 B11R0.174 CCCC(C)NCCC(=O)OC 2230a_100000741246_100000204255 [0,2,0,0,0,0|1,0,0]=3 12898 B11R0.174 CCCC(C)NCCC(C)CC 2230a_100020591266_100000766640 [0,2,0,0,0,0|1,0,1]=4 12899 B11R0.174 CCCC(C)NCCC(C)CC 270004a_100020591266_100000211909 [0,2,0,0,0,0|1,0,1]=4 12900 B11R0.174 CCCC(C)OCCC(=O)NC 34a_100000754576_100000766640 [0,2,0,0,0,0|1,0,0]=3 12901 B11R0.174 CCCC(C)OCCC(=O)NC 34a_100000764384_100012179268 [0,2,0,0,0,0|1,0,0]=3 12902 B11R0.174 CCCC(C)OCCC(=O)NC 7a_100000764384_100000737683 [0,2,0,0,0,0|1,0,0]=3 12903 B11R0.174 CCCC(C)OCCC(=O)OC 34a_100000764384_100000742370 [0,2,0,0,0,0|1,0,0]=3 12904 B11R0.174 CCCC(C)OCCC(=O)OC 7a_100000764384_100000204255 [0,2,0,0,0,0|1,0,0]=3 12905 B11R0.174 CCCC(C)OCCC(C)CC 7a_100011215188_100000766640 [0,2,0,0,0,0|1,0,1]=4 12906 B11R0.174 CCCC(C)SCCC(=O)NC 62a_100000737683_100000766640 [0,2,0,0,0,0|1,0,0]=3 12907 B11R0.174 CCCC(C)SCCC(=O)NC 62a_100000766640_100000737683 [0,2,0,0,0,0|1,0,0]=3 12908 B11R0.174 CCCC(C)SCCC(=O)OC 62a_100000204255_100000766640 [0,2,0,0,0,0|1,0,0]=3 12909 B11R0.174 CCCC(C)SCCC(=O)OC 62a_100000766640_100000204255 [0,2,0,0,0,0|1,0,0]=3 12910 B11R0.174 CCCC(C)SCOC(=O)OC 62a_100000766640_100000139417 [0,2,0,0,0,0|2,0,0]=4 12911 B11R0.174 CCCN(C)CCCC(=O)NC 2230a_100000747261_100000741757 [0,2,0,0,0,0|1,0,0]=3 12912 B11R0.174 CCCN(C)CCCC(=O)NC 269982a_100000747261_100000741757 [0,2,0,0,0,0|1,0,0]=3 12913 B11R0.174 CCCN(C)CCCC(=O)OC 2230a_100000747261_100011218270 [0,2,0,0,0,0|1,0,0]=3 12914 B11R0.174 CCCN(C)CCCC(=O)OC 269982a_100000739225_100000210303 [0,2,0,0,0,0|1,0,0]=3 12915 B11R0.174 CCCN(C)CCCC(=O)OC 269982a_100000747261_100011218270 [0,2,0,0,0,0|1,0,0]=3 12916 B11R0.174 CCCN(C)CCCN(C)CC 2230a_100000747261_100015186262 [0,2,0,0,0,0|2,0,0]=4 12917 B11R0.174 CCCN(C)CCCN(C)CC 269982a_100000747261_100015186262 [0,2,0,0,0,0|2,0,0]=4 12918 B11R0.174 CCCN(C)CCOC(=O)NC 269982a_100000747261_200011997002 [0,2,0,0,0,0|2,0,0]=4 12919 B11R0.174 CCC[C@H](N)CCOC(C)CC 34a_100015193777_100011215416 [0,2,0,0,0,0|1,0,1]=4 12920 B11R0.174 CCC[C@H](N)COCC(=O)NC 34a_100000732646_100000183359 [0,2,0,0,0,0|1,0,0]=3 12921 B11R0.174 CCC[C@H](N)COCC(=O)OC 34a_100000732646_100000747449 [0,2,0,0,0,0|1,0,0]=3 12922 B11R0.174 CCC[C@H](N)COCC(C)CC 34a_100000732646_100000748023 [0,2,0,0,0,0|1,0,1]=4 12923 B11R0.174 CCC[C@H](N)COCC(O)CC 34a_100000732646_100011218378 [0,2,0,0,0,0|0,0,2]=4 12924 B11R0.174 CCC[C@H](N)COC[C@@H](C)CC 34a_100000732646_100009816398 [0,2,0,0,0,0|1,0,1]=4 12925 B11R0.174 CCN(C)CCCC(=O)CC#N 1458a_100051588842_100015186262 [0,2,0,0,0,0|1,0,1]=4 12926 B11R0.174 CCN(C)CCCC(=O)CCO 1458a_100011216618_100015186262 [0,2,0,0,0,0|1,0,0]=3 12927 B11R0.174 CCN(C)CCCC(=O)COC 1458a_100000210968_100015186262 [0,2,0,0,0,0|1,0,0]=3 12928 B11R0.174 CCN(C)CCCC(=O)CSC 1458a_100000184570_100015186262 [0,2,0,0,0,0|1,0,0]=3 12929 B11R0.174 CCNC(=O)CCCC(=O)CC 1458a_100000199580_100000210202 [0,2,0,0,0,0|0,0,1]=3 12930 B11R0.174 CCNC(=O)CCCC(=O)CF 1458a_100000199580_100015361967 [0,2,0,0,0,0|1,0,1]=4 12931 B11R0.174 CCNC(=O)CCCC(=O)NC 11a_106832991635_100000199580 [0,2,0,0,0,0|1,0,1]=4 12932 B11R0.174 CCNC(=O)CCCC(=O)NC 1626a_100102657272_100000199580 [0,2,0,0,0,0|1,0,1]=4 12933 B11R0.174 CCNC(=O)CCCC(=O)NC 240690a_100102657272_100000199580 [0,2,0,0,0,0|1,0,1]=4 12934 B11R0.174 CCNC(=O)CCCC(=O)NC 527a_100102657272_100000199580 [0,2,0,0,0,0|1,0,1]=4 12935 B11R0.174 CCNC(=O)CCCC(=O)OC 11a_100015525214_100000239890 [0,2,0,0,0,0|1,0,1]=4 12936 B11R0.174 CCNC(=O)CCCC(=O)OC 240690a_100015525214_100000239890 [0,2,0,0,0,0|1,0,1]=4 12937 B11R0.174 CCNC(=O)CCCC(=O)OC 527a_100015525214_100000239890 [0,2,0,0,0,0|1,0,1]=4 12938 B11R0.174 CCNC(=O)CCNC(=O)CC 11a_100025743525_100000210414 [0,2,0,0,0,0|1,0,1]=4 12939 B11R0.174 CCNC(=O)CCNC(=O)CC 1626a_100025743525_100000210414 [0,2,0,0,0,0|1,0,1]=4 12940 B11R0.174 CCNC(=O)CCNC(=O)CC 240690a_100025743525_100000210414 [0,2,0,0,0,0|1,0,1]=4 12941 B11R0.174 CCNC(=O)CCNC(=O)CC 527a_100025743525_100000210414 [0,2,0,0,0,0|1,0,1]=4 12942 B11R0.174 CCNC(=O)CCNC(C)CC 2230a_100000209981_100000737597 [0,2,0,0,0,0|1,0,0]=3 12943 B11R0.174 CCNC(=O)CCNC(C)CC 34a_100025743525_100011215416 [0,2,0,0,0,0|1,0,0]=3 12944 B11R0.174 CCNC(=O)CCNC(C)CO 34a_100025743525_100012180447 [0,2,0,0,0,0|2,0,0]=4 12945 B11R0.174 CCNC(=O)CCN[C@H](C)CO 2230a_100000737577_100000737597 [0,2,0,0,0,0|2,0,0]=4 12946 B11R0.174 CCNC(=O)CCOC(C)CC 7a_100000210228_100000737597 [0,2,0,0,0,0|1,0,0]=3 12947 B11R0.174 CCNC(=O)CCOC(C)CF 7a_100016041109_100000737597 [0,2,0,0,0,0|2,0,0]=4 12948 B11R0.174 CCNC(=O)CCSC(C)CC 62a_100000737597_100000758301 [0,2,0,0,0,0|1,0,0]=3 12949 B11R0.174 CCNC(=O)CCSC(C)CC 62a_100000758301_100000737597 [0,2,0,0,0,0|1,0,0]=3 12950 B11R0.174 CCNC(=O)CCSC(C)CO 62a_100012180447_100000737597 [0,2,0,0,0,0|2,0,0]=4 12951 B11R0.174 CCNC(=O)CCSC(C)OC 62a_100000737597_100009879195 [0,2,0,0,0,0|2,0,0]=4 12952 B11R0.174 CCNC(=O)CCSC(C)OC 62a_100009879195_100000737597 [0,2,0,0,0,0|2,0,0]=4 12953 B11R0.174 CCNC(=O)CCS[C@H](C)CO 62a_100000737597_100016084084 [0,2,0,0,0,0|2,0,0]=4 12954 B11R0.174 CCNC(=O)CCS[C@H](C)CO 62a_100016084084_100000737597 [0,2,0,0,0,0|2,0,0]=4 12955 B11R0.174 CCNC(=O)CNCC(C)CC 2230a_100016988866_100000748023 [0,2,0,0,0,0|1,0,0]=3 12956 B11R0.174 CCNC(=O)CNCC(C)CC 2230a_100020588543_100000183381 [0,2,0,0,0,0|1,0,0]=3 12957 B11R0.174 CCNC(=O)CNCC(C)CC 270004a_100016988866_100000243153 [0,2,0,0,0,0|1,0,0]=3 12958 B11R0.174 CCNC(=O)CNCC(C)CO 34a_100000744482_100000183381 [0,2,0,0,0,0|2,0,0]=4 12959 B11R0.174 CCNC(=O)CNCC(O)CC 2230a_100011218483_100000183381 [0,2,0,0,0,0|1,0,0]=3 12960 B11R0.174 CCNC(=O)CNCC(O)CC 2230a_100016988866_100011218378 [0,2,0,0,0,0|1,0,0]=3 12961 B11R0.174 CCNC(=O)CNCC(O)CO 2230a_100016988866_100011219619 [0,2,0,0,0,0|2,0,0]=4 12962 B11R0.174 CCNC(=O)CNC[C@@H](C)CC 2230a_100016988866_100009816398 [0,2,0,0,0,0|1,0,0]=3 12963 B11R0.174 CCNC(=O)CNC[C@@H](C)CO 2230a_100016988866_100000059175 [0,2,0,0,0,0|2,0,0]=4 12964 B11R0.174 CCNC(=O)CNC[C@@H](C)OC 2230a_100020591295_100000183381 [0,2,0,0,0,0|2,0,0]=4 12965 B11R0.174 CCNC(=O)CNC[C@@H](F)CO 34a_100015665980_100000183381 [0,2,0,0,0,0|2,0,0]=4 12966 B11R0.174 CCNC(=O)CNC[C@@H](O)CF 2230a_100016988866_100015614560 [0,2,0,0,0,0|2,0,0]=4 12967 B11R0.174 CCNC(=O)CNC[C@@H](O)CO 2230a_100016988866_100009815848 [0,2,0,0,0,0|2,0,0]=4 12968 B11R0.174 CCNC(=O)CNC[C@H](O)CO 2230a_100020644852_100000183381 [0,2,0,0,0,0|2,0,0]=4 12969 B11R0.174 CCNC(=O)COCC(=O)CC 34a_100000725409_100000183381 [0,2,0,0,0,0|1,0,1]=4 12970 B11R0.174 CCNC(=O)COCC(C)CN 34a_100000744482_100000183381 [0,2,0,0,0,0|2,0,0]=4 12971 B11R0.174 CCNC(=O)COCC(C)OC 34a_100000690652_100000183381 [0,2,0,0,0,0|2,0,0]=4 12972 B11R0.174 CCNC(=O)COCC(Cl)CCl 34a_100000033668_100000183381 [0,2,0,0,0,0|2,0,0]=4 12973 B11R0.174 CCNC(=O)COC[C@@H](C)CC 7a_100009816381_100000183381 [0,2,0,0,0,0|1,0,0]=3 12974 B11R0.174 CCNC(=O)COC[C@H](F)CN 34a_100015665980_100000183381 [0,2,0,0,0,0|2,0,0]=4 12975 B11R0.174 CCNC(=O)CSCC(=O)CC 62a_100000183381_100000747405 [0,2,0,0,0,0|1,0,1]=4 12976 B11R0.174 CCNC(=O)CSCC(=O)CC 62a_100000747405_100000183381 [0,2,0,0,0,0|1,0,1]=4 12977 B11R0.174 CCNC(=O)CSCC(C)CC 62a_100000183381_100000748023 [0,2,0,0,0,0|1,0,0]=3 12978 B11R0.174 CCNC(=O)CSCC(C)CC 62a_100000748023_100000183381 [0,2,0,0,0,0|1,0,0]=3 12979 B11R0.174 CCNC(=O)CSCC(O)CC 62a_100000183381_100011218378 [0,2,0,0,0,0|1,0,0]=3 12980 B11R0.174 CCNC(=O)CSCC(O)CC 62a_100011218378_100000183381 [0,2,0,0,0,0|1,0,0]=3 12981 B11R0.174 CCNC(=O)CSCC(O)CO 62a_100000183381_100011219619 [0,2,0,0,0,0|2,0,0]=4 12982 B11R0.174 CCNC(=O)CSCC(O)CO 62a_100011219619_100000183381 [0,2,0,0,0,0|2,0,0]=4 12983 B11R0.174 CCNC(=O)CSC[C@@H](C)CC 62a_100000183381_100009816398 [0,2,0,0,0,0|1,0,0]=3 12984 B11R0.174 CCNC(=O)CSC[C@@H](C)CC 62a_100009816398_100000183381 [0,2,0,0,0,0|1,0,0]=3 12985 B11R0.174 CCNC(=O)CSC[C@@H](C)CO 62a_100000059175_100000183381 [0,2,0,0,0,0|2,0,0]=4 12986 B11R0.174 CCNC(=O)CSC[C@@H](C)CO 62a_100000183381_100000059175 [0,2,0,0,0,0|2,0,0]=4 12987 B11R0.174 CCNC(=O)CSC[C@@H](O)CF 62a_100000183381_100015614560 [0,2,0,0,0,0|2,0,0]=4 12988 B11R0.174 CCNC(=O)CSC[C@@H](O)CF 62a_100015614560_100000183381 [0,2,0,0,0,0|2,0,0]=4 12989 B11R0.174 CCNC(=O)CSC[C@@H](O)CO 62a_100000183381_100009815848 [0,2,0,0,0,0|2,0,0]=4 12990 B11R0.174 CCNC(=O)CSC[C@@H](O)CO 62a_100009815848_100000183381 [0,2,0,0,0,0|2,0,0]=4 12991 B11R0.174 CCNC(=O)NCCC(C)CC 2708a_100015525214_100020591266 [0,2,0,0,0,0|1,0,0]=3 12992 B11R0.174 CCNC(=O)NCCC(C)CC 2708a_100020591266_100015525214 [0,2,0,0,0,0|1,0,0]=3 12993 B11R0.174 CCNC(=O)NCCC(C)CC 273464a_100015525214_100020591266 [0,2,0,0,0,0|1,0,0]=3 12994 B11R0.174 CCNC(=O)NCCC(C)CC 273464a_100020591266_100015525214 [0,2,0,0,0,0|1,0,0]=3 12995 B11R0.174 CCNC(=O)NCCC(C)CC 512a_100015525214_100020591266 [0,2,0,0,0,0|1,0,0]=3 12996 B11R0.174 CCNC(=O)NCCC(C)CC 512a_100020591266_100015525214 [0,2,0,0,0,0|1,0,0]=3 12997 B11R0.174 CCNC(=O)NCCC(C)CO 2708a_100015525214_106354213184 [0,2,0,0,0,0|2,0,0]=4 12998 B11R0.174 CCNC(=O)NCCC(C)CO 273464a_100015525214_106354213184 [0,2,0,0,0,0|2,0,0]=4 12999 B11R0.174 CCNC(=O)NCCC(C)CO 273464a_106354213184_100015525214 [0,2,0,0,0,0|2,0,0]=4 13000 B11R0.174 CCNC(=O)NCCC(C)CO 512a_100015525214_106354213184 [0,2,0,0,0,0|2,0,0]=4 13001 B11R0.174 CCNC(=O)NCCC(C)CO 512a_106354213184_100015525214 [0,2,0,0,0,0|2,0,0]=4 13002 B11R0.174 CCNC(=O)NNCC(O)CC 273464a_100015525214_100015206393 [0,2,0,0,0,0|2,0,0]=4 13003 B11R0.174 CCNC(=O)NNCC(O)CC 512a_100015206393_100015525214 [0,2,0,0,0,0|2,0,0]=4 13004 B11R0.174 CCNC(=O)NNCC(O)CC 512a_100015525214_100015206393 [0,2,0,0,0,0|2,0,0]=4 13005 B11R0.174 CCNC(=S)SCCC(=O)CC 1458a_200009862762_100000210202 [0,2,0,0,0,0|1,0,1]=4 13006 B11R0.174 CCOC(=O)CCCC(=O)CC 1458a_100000210414_100011215271 [0,2,0,0,0,0|0,0,1]=3 13007 B11R0.174 CCOC(=O)CCCC(=O)CC 1458a_100000210991_100000210202 [0,2,0,0,0,0|0,0,1]=3 13008 B11R0.174 CCOC(=O)CCCC(=O)CF 1458a_100000210991_100015361967 [0,2,0,0,0,0|1,0,1]=4 13009 B11R0.174 CCOC(=O)CCCC(=O)CO 1458a_100000210174_100011215271 [0,2,0,0,0,0|1,0,1]=4 13010 B11R0.174 CCOC(=O)CCCC(=O)NC 11a_106832991635_100000210991 [0,2,0,0,0,0|1,0,1]=4 13011 B11R0.174 CCOC(=O)CCCC(=O)NC 1626a_100102657272_100000210991 [0,2,0,0,0,0|1,0,1]=4 13012 B11R0.174 CCOC(=O)CCCC(=O)NC 240690a_100102657272_100000210991 [0,2,0,0,0,0|1,0,1]=4 13013 B11R0.174 CCOC(=O)CCCC(=O)NC 527a_100102657272_100000210991 [0,2,0,0,0,0|1,0,1]=4 13014 B11R0.174 CCOC(=O)CCCN(C)CC 2230a_100000225621_100009991533 [0,2,0,0,0,0|1,0,0]=3 13015 B11R0.174 CCOC(=O)CCCN(C)CC 269982a_100000225621_100009991533 [0,2,0,0,0,0|1,0,0]=3 13016 B11R0.174 CCOC(=O)CCNC(=O)CC 188690a_100000746078_100000210414 [0,2,0,0,0,0|1,0,1]=4 13017 B11R0.174 CCOC(=O)CCNC(C)CC 2230a_100000209981_100011206558 [0,2,0,0,0,0|1,0,0]=3 13018 B11R0.174 CCOC(=O)CCN[C@H](C)CO 2230a_100000737577_100011206558 [0,2,0,0,0,0|2,0,0]=4 13019 B11R0.174 CCOC(=O)CCOC(C)CC 7a_100000210228_100011206558 [0,2,0,0,0,0|1,0,0]=3 13020 B11R0.174 CCOC(=O)CCOC(C)CF 34a_100016041109_100000765890 [0,2,0,0,0,0|2,0,0]=4 13021 B11R0.174 CCOC(=O)CCOC(C)CF 7a_100016041109_100011206558 [0,2,0,0,0,0|2,0,0]=4 13022 B11R0.174 CCOC(=O)CCOC(C)CN 34a_100000210904_100000765890 [0,2,0,0,0,0|2,0,0]=4 13023 B11R0.174 CCOC(=O)CCSC(C)CC 62a_100000758301_100000765890 [0,2,0,0,0,0|1,0,0]=3 13024 B11R0.174 CCOC(=O)CCSC(C)CC 62a_100000765890_100000758301 [0,2,0,0,0,0|1,0,0]=3 13025 B11R0.174 CCOC(=O)CCSC(C)CO 62a_100012180447_100000765890 [0,2,0,0,0,0|2,0,0]=4 13026 B11R0.174 CCOC(=O)CCSC(C)OC 62a_100000765890_100009879195 [0,2,0,0,0,0|2,0,0]=4 13027 B11R0.174 CCOC(=O)CCSC(C)OC 62a_100009879195_100000765890 [0,2,0,0,0,0|2,0,0]=4 13028 B11R0.174 CCOC(=O)CCS[C@H](C)CO 62a_100000765890_100016084084 [0,2,0,0,0,0|2,0,0]=4 13029 B11R0.174 CCOC(=O)CCS[C@H](C)CO 62a_100016084084_100000765890 [0,2,0,0,0,0|2,0,0]=4 13030 B11R0.174 CCOC(=O)CNCC(C)CC 2230a_100020588543_100000188475 [0,2,0,0,0,0|1,0,0]=3 13031 B11R0.174 CCOC(=O)CNCC(C)CO 34a_100000744482_100000188475 [0,2,0,0,0,0|2,0,0]=4 13032 B11R0.174 CCOC(=O)CNCC(O)CC 2230a_100011218483_100000188475 [0,2,0,0,0,0|1,0,0]=3 13033 B11R0.174 CCOC(=O)CNC[C@@H](C)OC 2230a_100020591295_100000188475 [0,2,0,0,0,0|2,0,0]=4 13034 B11R0.174 CCOC(=O)CNC[C@@H](F)CO 34a_100015665980_100000188475 [0,2,0,0,0,0|2,0,0]=4 13035 B11R0.174 CCOC(=O)CNC[C@H](O)CO 2230a_100020644852_100000188475 [0,2,0,0,0,0|2,0,0]=4 13036 B11R0.174 CCOC(=O)COCC(=O)CC 34a_100000725409_100000188475 [0,2,0,0,0,0|1,0,1]=4 13037 B11R0.174 CCOC(=O)COCC(C)CN 34a_100000744482_100000188475 [0,2,0,0,0,0|2,0,0]=4 13038 B11R0.174 CCOC(=O)COCC(C)OC 34a_100000690652_100000188475 [0,2,0,0,0,0|2,0,0]=4 13039 B11R0.174 CCOC(=O)COCC(Cl)CCl 34a_100000033668_100000188475 [0,2,0,0,0,0|2,0,0]=4 13040 B11R0.174 CCOC(=O)COC[C@@H](C)CC 7a_100009816381_100000188475 [0,2,0,0,0,0|1,0,0]=3 13041 B11R0.174 CCOC(=O)COC[C@H](F)CN 34a_100015665980_100000188475 [0,2,0,0,0,0|2,0,0]=4 13042 B11R0.174 CCOC(=O)CSCC(=O)CC 62a_100000188475_100000747405 [0,2,0,0,0,0|1,0,1]=4 13043 B11R0.174 CCOC(=O)CSCC(=O)CC 62a_100000747405_100000188475 [0,2,0,0,0,0|1,0,1]=4 13044 B11R0.174 CCOC(=O)CSCC(C)CC 62a_100000188475_100000748023 [0,2,0,0,0,0|1,0,0]=3 13045 B11R0.174 CCOC(=O)CSCC(C)CC 62a_100000748023_100000188475 [0,2,0,0,0,0|1,0,0]=3 13046 B11R0.174 CCOC(=O)CSCC(O)CC 62a_100000188475_100011218378 [0,2,0,0,0,0|1,0,0]=3 13047 B11R0.174 CCOC(=O)CSCC(O)CC 62a_100011218378_100000188475 [0,2,0,0,0,0|1,0,0]=3 13048 B11R0.174 CCOC(=O)CSCC(O)CO 62a_100000188475_100011219619 [0,2,0,0,0,0|2,0,0]=4 13049 B11R0.174 CCOC(=O)CSCC(O)CO 62a_100011219619_100000188475 [0,2,0,0,0,0|2,0,0]=4 13050 B11R0.174 CCOC(=O)CSC[C@@H](C)CC 62a_100000188475_100009816398 [0,2,0,0,0,0|1,0,0]=3 13051 B11R0.174 CCOC(=O)CSC[C@@H](C)CC 62a_100009816398_100000188475 [0,2,0,0,0,0|1,0,0]=3 13052 B11R0.174 CCOC(=O)CSC[C@@H](C)CO 62a_100000059175_100000188475 [0,2,0,0,0,0|2,0,0]=4 13053 B11R0.174 CCOC(=O)CSC[C@@H](C)CO 62a_100000188475_100000059175 [0,2,0,0,0,0|2,0,0]=4 13054 B11R0.174 CCOC(=O)CSC[C@@H](O)CF 62a_100000188475_100015614560 [0,2,0,0,0,0|2,0,0]=4 13055 B11R0.174 CCOC(=O)CSC[C@@H](O)CF 62a_100015614560_100000188475 [0,2,0,0,0,0|2,0,0]=4 13056 B11R0.174 CCOC(=O)CSC[C@@H](O)CO 62a_100000188475_100009815848 [0,2,0,0,0,0|2,0,0]=4 13057 B11R0.174 CCOC(=O)CSC[C@@H](O)CO 62a_100009815848_100000188475 [0,2,0,0,0,0|2,0,0]=4 13058 B11R0.174 CCOC(=O)NCCC(=O)CC 1458a_100000210414_200011445536 [0,2,0,0,0,0|1,0,1]=4 13059 B11R0.174 CCOC(=O)NCCN(C)CC 269982a_100000225621_200011445536 [0,2,0,0,0,0|2,0,0]=4 13060 B11R0.174 CCOC(=O)OCSC(C)CC 62a_100000758301_100000075025 [0,2,0,0,0,0|2,0,0]=4 13061 B11R0.174 CC[C@H](C)COCC(=O)NCO 7a_100009816381_100000185155 [0,2,0,0,0,0|2,0,0]=4 13062 B11R0.174 CC[C@H](C)CSCC(=O)NCO 62a_100000185155_100009816398 [0,2,0,0,0,0|2,0,0]=4 13063 B11R0.174 CC[C@H](C)CSCC(=O)NCO 62a_100009816398_100000185155 [0,2,0,0,0,0|2,0,0]=4 13064 B11R0.174 CNC(=O)CCCC(=O)CCO 1458a_100011216618_100000741757 [0,2,0,0,0,0|1,0,1]=4 13065 B11R0.174 CNC(=O)CCCC(=O)COC 1458a_100000210968_100000741757 [0,2,0,0,0,0|1,0,1]=4 13066 B11R0.174 CNC(=O)CCCC(=O)CSC 1458a_100000184570_100000741757 [0,2,0,0,0,0|1,0,1]=4 13067 B11R0.174 CNC(=O)CCCN(C)CCO 2230a_100000210263_100000741757 [0,2,0,0,0,0|2,0,0]=4 13068 B11R0.174 CNC(=O)CCCN(C)CCO 269982a_100000210263_100000741757 [0,2,0,0,0,0|2,0,0]=4 13069 B11R0.174 CNC(=O)CCNC(C)CCO 2230a_100000738227_100009893172 [0,2,0,0,0,0|2,0,0]=4 13070 B11R0.174 CNC(=O)CCNC(C)CCO 34a_100000738227_100009893172 [0,2,0,0,0,0|2,0,0]=4 13071 B11R0.174 CNC(=O)CCNC(C)COC 2230a_100000738227_100000765312 [0,2,0,0,0,0|2,0,0]=4 13072 B11R0.174 CNC(=O)CCNC(C)COC 270004a_100000738227_100000749346 [0,2,0,0,0,0|2,0,0]=4 13073 B11R0.174 CNC(=O)CCNC(C)COC 34a_100000738227_100000765312 [0,2,0,0,0,0|2,0,0]=4 13074 B11R0.174 CNC(=O)CCNC(C)CSC 270004a_100000738227_100011216314 [0,2,0,0,0,0|2,0,0]=4 13075 B11R0.174 CNC(=O)CCN[C@H](C)CCO 2230a_100000706166_100000737683 [0,2,0,0,0,0|2,0,0]=4 13076 B11R0.174 CNC(=O)CCN[C@H](C)CCO 34a_100000706166_100012179268 [0,2,0,0,0,0|2,0,0]=4 13077 B11R0.174 CNC(=O)CCN[C@H](C)COC 2230a_100000764878_100000737683 [0,2,0,0,0,0|2,0,0]=4 13078 B11R0.174 CNC(=O)CCOC(C)CCBr 34a_100012276601_100012179268 [0,2,0,0,0,0|2,0,0]=4 13079 B11R0.174 CNC(=O)CCOC(C)CCO 34a_100000754576_100009893172 [0,2,0,0,0,0|2,0,0]=4 13080 B11R0.174 CNC(=O)CCOC(C)COC 34a_100000754576_100000765312 [0,2,0,0,0,0|2,0,0]=4 13081 B11R0.174 CNC(=O)CCO[C@H](C)COC 34a_100011934205_100012179268 [0,2,0,0,0,0|2,0,0]=4 13082 B11R0.174 CNC(=O)CCSC(C)CCO 62a_100000737683_100009893172 [0,2,0,0,0,0|2,0,0]=4 13083 B11R0.174 CNC(=O)CCSC(C)CCO 62a_100009893172_100000737683 [0,2,0,0,0,0|2,0,0]=4 13084 B11R0.174 CNC(=O)CCSC(C)COC 62a_100000737683_100000765312 [0,2,0,0,0,0|2,0,0]=4 13085 B11R0.174 CNC(=O)CCSC(C)COC 62a_100000765312_100000737683 [0,2,0,0,0,0|2,0,0]=4 13086 B11R0.174 CNC(=O)CNCC(O)COC 2230a_100000756049_100000183359 [0,2,0,0,0,0|2,0,0]=4 13087 B11R0.174 CNC(=O)CNCC(O)COC 34a_100000756049_100000183359 [0,2,0,0,0,0|2,0,0]=4 13088 B11R0.174 CNC(=O)COCC(C)CCN 34a_106354213184_100000183359 [0,2,0,0,0,0|2,0,0]=4 13089 B11R0.174 CNC(=O)COCC(N)COC 34a_100000724102_100000183359 [0,2,0,0,0,0|2,0,0]=4 13090 B11R0.174 CNC(=O)COCC(O)COC 34a_100000750040_100011215053 [0,2,0,0,0,0|2,0,0]=4 13091 B11R0.174 CNC(=O)CSCC(O)COC 62a_100000183359_100011215053 [0,2,0,0,0,0|2,0,0]=4 13092 B11R0.174 CNC(=O)CSCC(O)COC 62a_100011215053_100000183359 [0,2,0,0,0,0|2,0,0]=4 13093 B11R0.174 COC(=O)CCCC(=O)CCF 1458a_100000239890_100011217306 [0,2,0,0,0,0|1,0,1]=4 13094 B11R0.174 COC(=O)CCCC(=O)CCO 1458a_100000239890_100000211926 [0,2,0,0,0,0|1,0,1]=4 13095 B11R0.174 COC(=O)CCCC(=O)CCO 1458a_100011216618_100011218270 [0,2,0,0,0,0|1,0,1]=4 13096 B11R0.174 COC(=O)CCCC(=O)CSC 1458a_100000184570_100011218270 [0,2,0,0,0,0|1,0,1]=4 13097 B11R0.174 COC(=O)CCCN(C)CCF 269982a_100000739225_100011217306 [0,2,0,0,0,0|2,0,0]=4 13098 B11R0.174 COC(=O)CCCN(C)CCO 2230a_100000210263_100011218270 [0,2,0,0,0,0|2,0,0]=4 13099 B11R0.174 COC(=O)CCCN(C)CCO 269982a_100000210263_100011218270 [0,2,0,0,0,0|2,0,0]=4 13100 B11R0.174 COC(=O)CCCN(C)CCO 269982a_100000739225_100000211926 [0,2,0,0,0,0|2,0,0]=4 13101 B11R0.174 COC(=O)CCCN(C)CSC 269982a_100000739225_100011218213 [0,2,0,0,0,0|2,0,0]=4 13102 B11R0.174 COC(=O)CCN[C@H](C)CCO 2230a_100000706166_100000204255 [0,2,0,0,0,0|2,0,0]=4 13103 B11R0.174 COC(=O)CCN[C@H](C)CCO 34a_100000706166_100000742370 [0,2,0,0,0,0|2,0,0]=4 13104 B11R0.174 COC(=O)CCOC(C)CCBr 34a_100012276601_100000742370 [0,2,0,0,0,0|2,0,0]=4 13105 B11R0.174 COC(=O)CCSC(C)CCO 62a_100000204255_100009893172 [0,2,0,0,0,0|2,0,0]=4 13106 B11R0.174 COC(=O)CCSC(C)CCO 62a_100009893172_100000204255 [0,2,0,0,0,0|2,0,0]=4 13107 B11R0.174 COC(=O)COCC(C)CCN 34a_106354213184_100000747449 [0,2,0,0,0,0|2,0,0]=4 13108 B11R0.174 COCC(=O)CCCC(=O)OC 1458a_100000210968_100011218270 [0,2,0,0,0,0|1,0,1]=4 13109 B11R0.174 COCC(=O)NCCC(C)CO 240690a_106354213184_100000210968 [0,2,0,0,0,0|2,0,0]=4 13110 B11R0.174 COCC(=O)NCCC(C)CO 527a_106354213184_100000210968 [0,2,0,0,0,0|2,0,0]=4 13111 B11R0.174 COCC(C)SCCC(=O)OC 62a_100000204255_100000765312 [0,2,0,0,0,0|2,0,0]=4 13112 B11R0.174 COCC(C)SCCC(=O)OC 62a_100000765312_100000204255 [0,2,0,0,0,0|2,0,0]=4 13113 B11R0.174 COCC(N)COCC(=O)OC 34a_100000724102_100000747449 [0,2,0,0,0,0|2,0,0]=4 13114 B11R0.174 COCC(O)CNCC(=O)OC 2230a_100000756049_100000747449 [0,2,0,0,0,0|2,0,0]=4 13115 B11R0.174 COCC(O)CNCC(=O)OC 34a_100000756049_100000747449 [0,2,0,0,0,0|2,0,0]=4 13116 B11R0.174 COCC(O)CSCC(=O)OC 62a_100000747449_100011215053 [0,2,0,0,0,0|2,0,0]=4 13117 B11R0.174 COCC(O)CSCC(=O)OC 62a_100011215053_100000747449 [0,2,0,0,0,0|2,0,0]=4 13118 B11R0.174 COCN(C)CCCC(=O)OC 269982a_100000739225_100000766300 [0,2,0,0,0,0|2,0,0]=4 13119 B11R0.174 COC[C@@H](C)NCCC(=O)OC 2230a_100000764878_100000204255 [0,2,0,0,0,0|2,0,0]=4 13120 B11R0.174 COC[C@@H](C)OCCC(=O)OC 34a_100011934205_100000742370 [0,2,0,0,0,0|2,0,0]=4 13121 B11R0.174 CSCC(=O)NCCC(C)CO 240690a_106354213184_100000184570 [0,2,0,0,0,0|2,0,0]=4 13122 B11R0.174 CSCC(=O)NCCC(C)CO 527a_106354213184_100000184570 [0,2,0,0,0,0|2,0,0]=4 13123 B11R0.176 C#CCC(=O)CCCCC(=O)C 1458a_100011220946_100000735457 [0,2,0,0,0,0|0,0,2]=4 13124 B11R0.176 C#CCC(=O)CCCCC(C)C 1458a_100011220946_100011216152 [0,2,0,0,0,0|0,0,1]=3 13125 B11R0.176 C#CCC(=O)CCCCC(C)C 1458a_100011933920_100000184674 [0,2,0,0,0,0|0,0,1]=3 13126 B11R0.176 C#CCC(=O)NCCCC(C)C 1626a_200000737386_100011220946 [0,2,0,0,0,0|1,0,1]=4 13127 B11R0.176 C#CCC(=O)NCCCC(C)C 527a_200000737386_100011220946 [0,2,0,0,0,0|1,0,1]=4 13128 B11R0.176 C=C(C)CCNCC(=O)NCC 2230a_100016988866_100000730704 [0,2,0,0,0,0|1,0,1]=4 13129 B11R0.176 C=C(C)CCOCC(=O)NCC 34a_100000764851_100000183381 [0,2,0,0,0,0|1,0,1]=4 13130 B11R0.176 C=C(C)CCOCC(=O)OCC 34a_100000764851_100000188475 [0,2,0,0,0,0|1,0,1]=4 13131 B11R0.176 C=C(C)CCSCC(=O)CCC 62a_100000730704_100000747444 [0,2,0,0,0,0|1,0,1]=4 13132 B11R0.176 C=C(C)CCSCC(=O)CCC 62a_100000747444_100000730704 [0,2,0,0,0,0|1,0,1]=4 13133 B11R0.176 C=C(C)CCSCC(=O)NCC 62a_100000183381_100000730704 [0,2,0,0,0,0|1,0,1]=4 13134 B11R0.176 C=C(C)CCSCC(=O)NCC 62a_100000730704_100000183381 [0,2,0,0,0,0|1,0,1]=4 13135 B11R0.176 C=C(C)CCSCC(=O)OCC 62a_100000188475_100000730704 [0,2,0,0,0,0|1,0,1]=4 13136 B11R0.176 C=C(C)CCSCC(=O)OCC 62a_100000730704_100000188475 [0,2,0,0,0,0|1,0,1]=4 13137 B11R0.176 C=C(C)CNCCC(=O)NCC 34a_100025743525_100000748629 [0,2,0,0,0,0|1,0,1]=4 13138 B11R0.176 C=C(C)COCCC(=O)OCC 34a_100000210245_100000765890 [0,2,0,0,0,0|1,0,1]=4 13139 B11R0.176 C=C(C)CSCCC(=O)NCC 62a_100000737597_100000211660 [0,2,0,0,0,0|1,0,1]=4 13140 B11R0.176 C=C(C)CSCCC(=O)NCC 62a_100000748629_100000737597 [0,2,0,0,0,0|1,0,1]=4 13141 B11R0.176 C=C(C)CSCCC(=O)OCC 62a_100000748629_100000765890 [0,2,0,0,0,0|1,0,1]=4 13142 B11R0.176 C=C(C)CSCCC(=O)OCC 62a_100000765890_100000211660 [0,2,0,0,0,0|1,0,1]=4 13143 B11R0.176 C=CCC(=O)CCCCC(=O)C 1458a_100000210193_100000735457 [0,2,0,0,0,0|0,0,2]=4 13144 B11R0.176 C=CCC(=O)CCCCC(C)C 1458a_100000210193_100011216152 [0,2,0,0,0,0|0,0,1]=3 13145 B11R0.176 C=CCC(=O)CCCCC(C)C 1458a_100011933920_100000210623 [0,2,0,0,0,0|0,0,1]=3 13146 B11R0.176 C=CCC(=O)NCCCC(C)C 11a_200000737386_100000210193 [0,2,0,0,0,0|1,0,1]=4 13147 B11R0.176 C=CCC(=O)NCCCC(C)C 1626a_200000737386_100000210193 [0,2,0,0,0,0|1,0,1]=4 13148 B11R0.176 C=CCC(=O)NCCCC(C)C 240690a_200000737386_100000210193 [0,2,0,0,0,0|1,0,1]=4 13149 B11R0.176 C=CCC(=O)NCCCC(C)C 527a_200000737386_100000210193 [0,2,0,0,0,0|1,0,1]=4 13150 B11R0.176 CC#CC(=O)CCCCC(=O)C 1458a_100000763181_100000735457 [0,2,0,0,0,0|0,0,2]=4 13151 B11R0.176 CC#CC(=O)CCCCC(C)C 1458a_100000763181_100011216152 [0,2,0,0,0,0|0,0,1]=3 13152 B11R0.176 CC(=O)CCCCC(=O)CC#N 1458a_100051588842_100000735457 [0,2,0,0,0,0|0,0,2]=4 13153 B11R0.176 CC(=O)CCCCC(=O)CCO 1458a_100011216618_100000735457 [0,2,0,0,0,0|0,0,1]=3 13154 B11R0.176 CC(=O)NCCCC(=O)CCF 1458a_100000194741_100011217306 [0,2,0,0,0,0|1,0,1]=4 13155 B11R0.176 CC(=O)NCCCC(=O)CCO 1458a_100000194741_100000211926 [0,2,0,0,0,0|1,0,1]=4 13156 B11R0.176 CC(=O)OCCCC(=O)CCO 1458a_100011216618_100000042594 [0,2,0,0,0,0|1,0,1]=4 13157 B11R0.176 CC(=O)SCCCC(=O)CCO 1458a_100011216618_100000038929 [0,2,0,0,0,0|1,0,1]=4 13158 B11R0.176 CC(=S)OCCCC(=O)CCO 1458a_100011216618_200135323944 [0,2,0,0,0,0|1,0,1]=4 13159 B11R0.176 CC(Br)CCOCC(=O)NCO 34a_100009893172_100000185155 [0,2,0,0,0,0|2,0,0]=4 13160 B11R0.176 CC(C)CCCCC(=O)C=CBr 1458a_100016273825_100011216152 [0,2,0,0,0,0|0,0,2]=4 13161 B11R0.176 CC(C)CCCCC(=O)C=CCl 1458a_200016279998_100011216152 [0,2,0,0,0,0|0,0,2]=4 13162 B11R0.176 CC(C)CCCCC(=O)C=CI 1458a_100016256311_100011216152 [0,2,0,0,0,0|0,0,2]=4 13163 B11R0.176 CC(C)CCCCC(=O)CC#N 1458a_100011933920_100011214920 [0,2,0,0,0,0|0,0,1]=3 13164 B11R0.176 CC(C)CCCCC(=O)CC#N 1458a_100051588842_100011216152 [0,2,0,0,0,0|0,0,1]=3 13165 B11R0.176 CC(C)CCCCC(=O)CCF 1458a_100011933920_100011217306 [0,2,0,0,0,0|0,0,0]=2 13166 B11R0.176 CC(C)CCCCC(=O)CCO 1458a_100011216618_100011216152 [0,2,0,0,0,0|0,0,0]=2 13167 B11R0.176 CC(C)CCCCC(=O)CCO 1458a_100011933920_100000211926 [0,2,0,0,0,0|0,0,0]=2 13168 B11R0.176 CC(C)CCCCN(C)CCO 2230a_100000210263_100011216152 [0,2,0,0,0,0|2,0,0]=4 13169 B11R0.176 CC(C)CCCCN(C)CCO 269982a_100000210263_100011216152 [0,2,0,0,0,0|2,0,0]=4 13170 B11R0.176 CC(C)CCCNC(=O)CC#N 1626a_200000737386_100051588842 [0,2,0,0,0,0|1,0,1]=4 13171 B11R0.176 CC(C)CCCNC(=O)CC#N 240690a_200000737386_100051588842 [0,2,0,0,0,0|1,0,1]=4 13172 B11R0.176 CC(C)CCCNC(=O)CCO 240690a_200000737386_100011216618 [0,2,0,0,0,0|1,0,0]=3 13173 B11R0.176 CC(C)CCOCC(=O)NCO 34a_100000210254_100000185155 [0,2,0,0,0,0|2,0,0]=4 13174 B11R0.176 CC(C)CCOCC(=O)NCO 7a_100000210254_100000185155 [0,2,0,0,0,0|2,0,0]=4 13175 B11R0.176 CC(C)CCSCC(=O)NCO 62a_100000185155_100000210312 [0,2,0,0,0,0|2,0,0]=4 13176 B11R0.176 CC(C)CCSCC(=O)NCO 62a_100000210312_100000185155 [0,2,0,0,0,0|2,0,0]=4 13177 B11R0.176 CC(C)OCCNC(=O)CCO 240690a_100000701111_100011216618 [0,2,0,0,0,0|2,0,0]=4 13178 B11R0.176 CC(C)SCCNC(=O)CCO 240690a_100000731138_100011216618 [0,2,0,0,0,0|2,0,0]=4 13179 B11R0.176 CC(O)CCNCC(=O)NCO 2230a_200000755665_100000185155 [0,2,0,0,0,0|2,0,0]=4 13180 B11R0.176 CC(O)CCSCC(=O)NCO 62a_100000185155_100012276601 [0,2,0,0,0,0|2,0,0]=4 13181 B11R0.176 CC(O)CCSCC(=O)NCO 62a_100012276601_100000185155 [0,2,0,0,0,0|2,0,0]=4 13182 B11R0.176 CC=CC(=O)CCCCC(=O)C 1458a_100000210699_100000735457 [0,2,0,0,0,0|0,0,2]=4 13183 B11R0.176 CC=CC(=O)CCCCC(C)C 1458a_100000210699_100011216152 [0,2,0,0,0,0|0,0,1]=3 13184 B11R0.176 CC=CC(=O)NCCCC(C)C 11a_200000737386_100000210699 [0,2,0,0,0,0|1,0,1]=4 13185 B11R0.176 CC=CC(=O)NCCCC(C)C 1626a_200000737386_100000210699 [0,2,0,0,0,0|1,0,1]=4 13186 B11R0.176 CC=CC(=O)NCCCC(C)C 240690a_200000737386_100000210699 [0,2,0,0,0,0|1,0,1]=4 13187 B11R0.176 CCCC(=O)CCCCB(O)O 1458a_100000211992_200009817182 [0,2,0,0,0,0|2,0,0]=4 13188 B11R0.176 CCCC(=O)CCCCC(=O)C 1458a_100000211992_100000735457 [0,2,0,0,0,0|0,0,1]=3 13189 B11R0.176 CCCC(=O)CCCCC(C)C 1458a_100000211992_100011216152 [0,2,0,0,0,0|0,0,0]=2 13190 B11R0.176 CCCC(=O)CCCCC(C)C 1458a_100011933920_100000210303 [0,2,0,0,0,0|0,0,0]=2 13191 B11R0.176 CCCC(=O)CCCNC(=O)C 1458a_100000194741_100000210303 [0,2,0,0,0,0|1,0,1]=4 13192 B11R0.176 CCCC(=O)CCCOC(=O)C 1458a_100000211992_100000042594 [0,2,0,0,0,0|1,0,1]=4 13193 B11R0.176 CCCC(=O)CCCOC(=S)C 1458a_100000211992_200135323944 [0,2,0,0,0,0|1,0,1]=4 13194 B11R0.176 CCCC(=O)CCCSC(=O)C 1458a_100000211992_100000038929 [0,2,0,0,0,0|1,0,1]=4 13195 B11R0.176 CCCC(=O)CCOCC(F)F 1458a_100000211992_200012177212 [0,2,0,0,0,0|2,0,0]=4 13196 B11R0.176 CCCC(=O)CNCCC(C)O 2230a_200000755665_100000747444 [0,2,0,0,0,0|1,0,0]=3 13197 B11R0.176 CCCC(=O)COCCC(=O)C 7a_100000759926_100000747444 [0,2,0,0,0,0|1,0,1]=4 13198 B11R0.176 CCCC(=O)COCCC(C)C 7a_100000210254_100000747444 [0,2,0,0,0,0|1,0,0]=3 13199 B11R0.176 CCCC(=O)CSCCC(=O)C 62a_100000053229_100000747444 [0,2,0,0,0,0|1,0,1]=4 13200 B11R0.176 CCCC(=O)CSCCC(=O)C 62a_100000747444_100000053229 [0,2,0,0,0,0|1,0,1]=4 13201 B11R0.176 CCCC(=O)CSCCC(C)C 62a_100000210312_100000747444 [0,2,0,0,0,0|1,0,0]=3 13202 B11R0.176 CCCC(=O)CSCCC(C)C 62a_100000747444_100000210312 [0,2,0,0,0,0|1,0,0]=3 13203 B11R0.176 CCCC(=O)CSCCC(C)O 62a_100000747444_100012276601 [0,2,0,0,0,0|1,0,0]=3 13204 B11R0.176 CCCC(=O)CSCCC(C)O 62a_100012276601_100000747444 [0,2,0,0,0,0|1,0,0]=3 13205 B11R0.176 CCCC(=O)CSCCN(C)C 62a_100000747444_100000755713 [0,2,0,0,0,0|2,0,0]=4 13206 B11R0.176 CCCC(=O)CSCOC(C)C 62a_100000709892_100000747444 [0,2,0,0,0,0|2,0,0]=4 13207 B11R0.176 CCCC(=O)CSCOC(C)C 62a_100000747444_100000709892 [0,2,0,0,0,0|2,0,0]=4 13208 B11R0.176 CCCC(=O)NCCCC(C)C 11a_200000737386_100000211992 [0,2,0,0,0,0|1,0,0]=3 13209 B11R0.176 CCCC(=O)NCCCC(C)C 1626a_200000737386_100000211992 [0,2,0,0,0,0|1,0,0]=3 13210 B11R0.176 CCCC(=O)NCCCC(C)C 240690a_200000737386_100000211992 [0,2,0,0,0,0|1,0,0]=3 13211 B11R0.176 CCCC(=O)NCCCC(C)C 527a_200000737386_100000211992 [0,2,0,0,0,0|1,0,0]=3 13212 B11R0.176 CCCC(=O)NCCCN(C)C 240690a_102531767803_100000211992 [0,2,0,0,0,0|2,0,0]=4 13213 B11R0.176 CCCC(=O)NCCCN(C)C 527a_102531767803_100000211992 [0,2,0,0,0,0|2,0,0]=4 13214 B11R0.176 CCCC(=O)NCCCS(=O)C 11a_200000753449_100000211992 [0,2,0,0,0,0|2,0,0]=4 13215 B11R0.176 CCCC(=O)NCCCS(=O)C 240690a_200000753449_100000211992 [0,2,0,0,0,0|2,0,0]=4 13216 B11R0.176 CCCC(=O)NCCCS(=O)C 527a_200000753449_100000211992 [0,2,0,0,0,0|2,0,0]=4 13217 B11R0.176 CCCC(=O)NCCOC(C)C 11a_100000701111_100000211992 [0,2,0,0,0,0|2,0,0]=4 13218 B11R0.176 CCCC(=O)NCCOC(C)C 1626a_100000701111_100000211992 [0,2,0,0,0,0|2,0,0]=4 13219 B11R0.176 CCCC(=O)NCCOC(C)C 240690a_100000701111_100000211992 [0,2,0,0,0,0|2,0,0]=4 13220 B11R0.176 CCCC(=O)NCCOC(C)C 527a_100000701111_100000211992 [0,2,0,0,0,0|2,0,0]=4 13221 B11R0.176 CCCC(=O)NCCSC(C)C 11a_100000731138_100000211992 [0,2,0,0,0,0|2,0,0]=4 13222 B11R0.176 CCCC(=O)NCCSC(C)C 1626a_100000731138_100000211992 [0,2,0,0,0,0|2,0,0]=4 13223 B11R0.176 CCCC(=O)NCCSC(C)C 240690a_100000731138_100000211992 [0,2,0,0,0,0|2,0,0]=4 13224 B11R0.176 CCCC(=O)NCCSC(C)C 527a_100000731138_100000211992 [0,2,0,0,0,0|2,0,0]=4 13225 B11R0.176 CCCC(=O)OCNCC(C)C 2230a_100000210953_100000034017 [0,2,0,0,0,0|2,0,0]=4 13226 B11R0.176 CCCC(=O)OCNCC(C)C 34a_100000210953_100000034017 [0,2,0,0,0,0|2,0,0]=4 13227 B11R0.176 CCCC(=O)OCNCC(C)O 2230a_100000210904_100000034017 [0,2,0,0,0,0|2,0,0]=4 13228 B11R0.176 CCCC(=O)OCNCC(C)O 34a_100000210904_100000034017 [0,2,0,0,0,0|2,0,0]=4 13229 B11R0.176 CCCC(=O)OCOCC(C)Br 34a_100012180447_100000034017 [0,2,0,0,0,0|2,0,0]=4 13230 B11R0.176 CCCC(=O)OCOCC(C)C 34a_100000210257_100000034017 [0,2,0,0,0,0|2,0,0]=4 13231 B11R0.176 CCCC(=O)OCOCC(C)F 34a_100015925927_100000034017 [0,2,0,0,0,0|2,0,0]=4 13232 B11R0.176 CCCC(=O)OCOC[C@@H](C)Cl 34a_100016084084_100000034017 [0,2,0,0,0,0|2,0,0]=4 13233 B11R0.176 CCCC(=O)OCOC[C@@H](C)N 34a_100000737577_100000034017 [0,2,0,0,0,0|2,0,0]=4 13234 B11R0.176 CCCC(=O)OCSCC(C)C 62a_100000210624_100000034017 [0,2,0,0,0,0|2,0,0]=4 13235 B11R0.176 CCCC(=O)OCSCC(C)O 62a_100011218427_100000034017 [0,2,0,0,0,0|2,0,0]=4 13236 B11R0.176 CCCC(=O)OCSC[C@@H](C)O 62a_100009817552_100000034017 [0,2,0,0,0,0|2,0,0]=4 13237 B11R0.176 CCCN(C)CCCCC(C)C 2230a_100000747261_100011216152 [0,2,0,0,0,0|2,0,0]=4 13238 B11R0.176 CCCN(C)CCCCC(C)C 269982a_100000747261_100011216152 [0,2,0,0,0,0|2,0,0]=4 13239 B11R0.176 CCNC(=O)CCCCC(C)C 11a_100015525214_100011933920 [0,2,0,0,0,0|0,0,0]=2 13240 B11R0.176 CCNC(=O)CCCCC(C)C 240690a_100015525214_100011933920 [0,2,0,0,0,0|0,0,0]=2 13241 B11R0.176 CCNC(=O)CCCCC(C)C 527a_100015525214_100011933920 [0,2,0,0,0,0|0,0,0]=2 13242 B11R0.176 CCNC(=O)CCCCN(C)C 11a_100015525214_100000751710 [0,2,0,0,0,0|1,0,0]=3 13243 B11R0.176 CCNC(=O)CCCCN(C)C 240690a_100015525214_100000751710 [0,2,0,0,0,0|1,0,0]=3 13244 B11R0.176 CCNC(=O)CCCCN(C)C 527a_100015525214_100000751710 [0,2,0,0,0,0|1,0,0]=3 13245 B11R0.176 CCNC(=O)CCCNC(=O)C 11a_100015525214_100000194741 [0,2,0,0,0,0|1,0,1]=4 13246 B11R0.176 CCNC(=O)CCCNC(=O)C 240690a_100015525214_100000194741 [0,2,0,0,0,0|1,0,1]=4 13247 B11R0.176 CCNC(=O)CCCNC(=O)C 527a_100015525214_100000194741 [0,2,0,0,0,0|1,0,1]=4 13248 B11R0.176 CCNC(=O)CCNCC(C)C 2230a_100000210953_100000737597 [0,2,0,0,0,0|1,0,0]=3 13249 B11R0.176 CCNC(=O)CCNCC(C)C 270004a_100025743525_100000210432 [0,2,0,0,0,0|1,0,0]=3 13250 B11R0.176 CCNC(=O)CCNCC(C)C 34a_100025743525_100000210624 [0,2,0,0,0,0|1,0,0]=3 13251 B11R0.176 CCNC(=O)CCNCC(C)O 2230a_100000210904_100000737597 [0,2,0,0,0,0|1,0,0]=3 13252 B11R0.176 CCNC(=O)CCNCC(C)O 34a_100025743525_100011218427 [0,2,0,0,0,0|1,0,0]=3 13253 B11R0.176 CCNC(=O)CCNCC(F)F 34a_100025743525_100011934356 [0,2,0,0,0,0|2,0,0]=4 13254 B11R0.176 CCNC(=O)CCNC[C@@H](C)O 34a_100025743525_100009817552 [0,2,0,0,0,0|1,0,0]=3 13255 B11R0.176 CCNC(=O)CCSCC(C)C 62a_100000210624_100000737597 [0,2,0,0,0,0|1,0,0]=3 13256 B11R0.176 CCNC(=O)CCSCC(C)C 62a_100000737597_100000210760 [0,2,0,0,0,0|1,0,0]=3 13257 B11R0.176 CCNC(=O)CCSCC(C)O 62a_100000737597_100011218427 [0,2,0,0,0,0|1,0,0]=3 13258 B11R0.176 CCNC(=O)CCSCC(C)O 62a_100011218427_100000737597 [0,2,0,0,0,0|1,0,0]=3 13259 B11R0.176 CCNC(=O)CCSCC(F)F 62a_100000737597_100011934356 [0,2,0,0,0,0|2,0,0]=4 13260 B11R0.176 CCNC(=O)CCSCC(F)F 62a_100011934356_100000737597 [0,2,0,0,0,0|2,0,0]=4 13261 B11R0.176 CCNC(=O)CCSC[C@@H](C)O 62a_100000737597_100009817552 [0,2,0,0,0,0|1,0,0]=3 13262 B11R0.176 CCNC(=O)CCSC[C@@H](C)O 62a_100009817552_100000737597 [0,2,0,0,0,0|1,0,0]=3 13263 B11R0.176 CCNC(=O)CNCCC(C)C 2230a_100016988866_100000210312 [0,2,0,0,0,0|1,0,0]=3 13264 B11R0.176 CCNC(=O)CNCCC(C)O 2230a_100016988866_100012276601 [0,2,0,0,0,0|1,0,0]=3 13265 B11R0.176 CCNC(=O)CNCCC(C)O 2230a_200000755665_100000183381 [0,2,0,0,0,0|1,0,0]=3 13266 B11R0.176 CCNC(=O)CNCOC(C)C 2230a_100016988866_100000709892 [0,2,0,0,0,0|2,0,0]=4 13267 B11R0.176 CCNC(=O)COCCC(=O)C 34a_100000759926_100000183381 [0,2,0,0,0,0|1,0,1]=4 13268 B11R0.176 CCNC(=O)COCCC(=O)C 7a_100000759926_100000183381 [0,2,0,0,0,0|1,0,1]=4 13269 B11R0.176 CCNC(=O)COCCC(C)Br 34a_100009893172_100000183381 [0,2,0,0,0,0|1,0,0]=3 13270 B11R0.176 CCNC(=O)COCCC(C)C 34a_100000210254_100000183381 [0,2,0,0,0,0|1,0,0]=3 13271 B11R0.176 CCNC(=O)COCCC(C)C 7a_100000210254_100000183381 [0,2,0,0,0,0|1,0,0]=3 13272 B11R0.176 CCNC(=O)COCCC(F)F 34a_100103093639_100000183381 [0,2,0,0,0,0|2,0,0]=4 13273 B11R0.176 CCNC(=O)COCC[C@@H](C)N 34a_100000706166_100000183381 [0,2,0,0,0,0|1,0,0]=3 13274 B11R0.176 CCNC(=O)CSCCC(=O)C 62a_100000053229_100000183381 [0,2,0,0,0,0|1,0,1]=4 13275 B11R0.176 CCNC(=O)CSCCC(=O)C 62a_100000183381_100000053229 [0,2,0,0,0,0|1,0,1]=4 13276 B11R0.176 CCNC(=O)CSCCC(C)C 62a_100000183381_100000210312 [0,2,0,0,0,0|1,0,0]=3 13277 B11R0.176 CCNC(=O)CSCCC(C)C 62a_100000210312_100000183381 [0,2,0,0,0,0|1,0,0]=3 13278 B11R0.176 CCNC(=O)CSCCC(C)O 62a_100000183381_100012276601 [0,2,0,0,0,0|1,0,0]=3 13279 B11R0.176 CCNC(=O)CSCCC(C)O 62a_100012276601_100000183381 [0,2,0,0,0,0|1,0,0]=3 13280 B11R0.176 CCNC(=O)CSCCN(C)C 62a_100000183381_100000755713 [0,2,0,0,0,0|2,0,0]=4 13281 B11R0.176 CCNC(=O)CSCOC(C)C 62a_100000183381_100000709892 [0,2,0,0,0,0|2,0,0]=4 13282 B11R0.176 CCNC(=O)CSCOC(C)C 62a_100000709892_100000183381 [0,2,0,0,0,0|2,0,0]=4 13283 B11R0.176 CCNC(=O)NCCCC(C)C 2708a_100015525214_200000737386 [0,2,0,0,0,0|1,0,0]=3 13284 B11R0.176 CCNC(=O)NCCCC(C)C 2708a_200000737386_100015525214 [0,2,0,0,0,0|1,0,0]=3 13285 B11R0.176 CCNC(=O)NCCCC(C)C 273464a_100015525214_200000737386 [0,2,0,0,0,0|1,0,0]=3 13286 B11R0.176 CCNC(=O)NCCCC(C)C 273464a_200000737386_100015525214 [0,2,0,0,0,0|1,0,0]=3 13287 B11R0.176 CCNC(=O)NCCCC(C)C 512a_100015525214_200000737386 [0,2,0,0,0,0|1,0,0]=3 13288 B11R0.176 CCNC(=O)NCCCC(C)C 512a_200000737386_100015525214 [0,2,0,0,0,0|1,0,0]=3 13289 B11R0.176 CCNC(=O)NCCCN(C)C 2708a_100015525214_102531767803 [0,2,0,0,0,0|2,0,0]=4 13290 B11R0.176 CCNC(=O)NCCCN(C)C 273464a_100015525214_102531767803 [0,2,0,0,0,0|2,0,0]=4 13291 B11R0.176 CCNC(=O)NCCCN(C)C 273464a_102531767803_100015525214 [0,2,0,0,0,0|2,0,0]=4 13292 B11R0.176 CCNC(=O)NCCCN(C)C 512a_100015525214_102531767803 [0,2,0,0,0,0|2,0,0]=4 13293 B11R0.176 CCNC(=O)NCCCN(C)C 512a_102531767803_100015525214 [0,2,0,0,0,0|2,0,0]=4 13294 B11R0.176 CCNC(=O)NCCCS(=O)C 2708a_100015525214_200000753449 [0,2,0,0,0,0|2,0,0]=4 13295 B11R0.176 CCNC(=O)NCCCS(=O)C 2708a_200000753449_100015525214 [0,2,0,0,0,0|2,0,0]=4 13296 B11R0.176 CCNC(=O)NCCCS(=O)C 273464a_100015525214_200000753449 [0,2,0,0,0,0|2,0,0]=4 13297 B11R0.176 CCNC(=O)NCCCS(=O)C 273464a_200000753449_100015525214 [0,2,0,0,0,0|2,0,0]=4 13298 B11R0.176 CCNC(=O)NCCCS(=O)C 512a_100015525214_200000753449 [0,2,0,0,0,0|2,0,0]=4 13299 B11R0.176 CCNC(=O)NCCCS(=O)C 512a_200000753449_100015525214 [0,2,0,0,0,0|2,0,0]=4 13300 B11R0.176 CCNC(=O)NCCOC(C)C 2708a_100000701111_100015525214 [0,2,0,0,0,0|2,0,0]=4 13301 B11R0.176 CCNC(=O)NCCOC(C)C 2708a_100015525214_100000701111 [0,2,0,0,0,0|2,0,0]=4 13302 B11R0.176 CCNC(=O)NCCOC(C)C 273464a_100000701111_100015525214 [0,2,0,0,0,0|2,0,0]=4 13303 B11R0.176 CCNC(=O)NCCOC(C)C 273464a_100015525214_100000701111 [0,2,0,0,0,0|2,0,0]=4 13304 B11R0.176 CCNC(=O)NCCOC(C)C 512a_100000701111_100015525214 [0,2,0,0,0,0|2,0,0]=4 13305 B11R0.176 CCNC(=O)NCCOC(C)C 512a_100015525214_100000701111 [0,2,0,0,0,0|2,0,0]=4 13306 B11R0.176 CCNC(=O)NCCSC(C)C 2708a_100000731138_100015525214 [0,2,0,0,0,0|2,0,0]=4 13307 B11R0.176 CCNC(=O)NCCSC(C)C 2708a_100015525214_100000731138 [0,2,0,0,0,0|2,0,0]=4 13308 B11R0.176 CCNC(=O)NCCSC(C)C 273464a_100000731138_100015525214 [0,2,0,0,0,0|2,0,0]=4 13309 B11R0.176 CCNC(=O)NCCSC(C)C 273464a_100015525214_100000731138 [0,2,0,0,0,0|2,0,0]=4 13310 B11R0.176 CCNC(=O)NCCSC(C)C 512a_100000731138_100015525214 [0,2,0,0,0,0|2,0,0]=4 13311 B11R0.176 CCNC(=O)NCCSC(C)C 512a_100015525214_100000731138 [0,2,0,0,0,0|2,0,0]=4 13312 B11R0.176 CCOC(=O)CCCCC(=O)C 1458a_100000070787_100000750268 [0,2,0,0,0,0|0,0,1]=3 13313 B11R0.176 CCOC(=O)CCCCC(=O)C 1458a_100011217402_200000210301 [0,2,0,0,0,0|0,0,1]=3 13314 B11R0.176 CCOC(=O)CCCCC(=O)[13CH3] 1458a_100011217402_200025704644 [0,2,0,0,0,0|0,0,1]=3 13315 B11R0.176 CCOC(=O)CCCCN(C)C 2230a_100102631434_100000750268 [0,2,0,0,0,0|1,0,0]=3 13316 B11R0.176 CCOC(=O)CCCCN(C)C 269982a_100102631434_100000750268 [0,2,0,0,0,0|1,0,0]=3 13317 B11R0.176 CCOC(=O)CCCNC(=O)C 188690a_100000211256_100015343762 [0,2,0,0,0,0|1,0,1]=4 13318 B11R0.176 CCOC(=O)CCCNC(C)C 2230a_100138425928_100009991533 [0,2,0,0,0,0|1,0,0]=3 13319 B11R0.176 CCOC(=O)CCCNC(C)C 34a_100138425928_100009991533 [0,2,0,0,0,0|1,0,0]=3 13320 B11R0.176 CCOC(=O)CCCOC(C)C 34a_100000212225_100009991533 [0,2,0,0,0,0|1,0,0]=3 13321 B11R0.176 CCOC(=O)CCCOC(C)C 7a_100012001163_100000210206 [0,2,0,0,0,0|1,0,0]=3 13322 B11R0.176 CCOC(=O)CCCSC(C)C 62a_100000210206_100009991533 [0,2,0,0,0,0|1,0,0]=3 13323 B11R0.176 CCOC(=O)CCCSC(C)C 62a_100009991533_100000210206 [0,2,0,0,0,0|1,0,0]=3 13324 B11R0.176 CCOC(=O)CCNCC(C)C 2230a_100000210953_100011206558 [0,2,0,0,0,0|1,0,0]=3 13325 B11R0.176 CCOC(=O)CCNCC(C)C 34a_100000210953_100000765890 [0,2,0,0,0,0|1,0,0]=3 13326 B11R0.176 CCOC(=O)CCNCC(C)O 2230a_100000210904_100011206558 [0,2,0,0,0,0|1,0,0]=3 13327 B11R0.176 CCOC(=O)CCNCC(C)O 34a_100000210904_100000765890 [0,2,0,0,0,0|1,0,0]=3 13328 B11R0.176 CCOC(=O)CCNCC(F)F 34a_100000765723_100000765890 [0,2,0,0,0,0|2,0,0]=4 13329 B11R0.176 CCOC(=O)CCOCC(=O)C 34a_100000211253_100000765890 [0,2,0,0,0,0|1,0,1]=4 13330 B11R0.176 CCOC(=O)CCOCC(C)Br 34a_100012180447_100000765890 [0,2,0,0,0,0|1,0,0]=3 13331 B11R0.176 CCOC(=O)CCOCC(C)C 34a_100000210257_100000765890 [0,2,0,0,0,0|1,0,0]=3 13332 B11R0.176 CCOC(=O)CCOCC(C)F 34a_100015925927_100000765890 [0,2,0,0,0,0|1,0,0]=3 13333 B11R0.176 CCOC(=O)CCOCC(F)F 34a_100000743014_100000765890 [0,2,0,0,0,0|2,0,0]=4 13334 B11R0.176 CCOC(=O)CCOC[C@@H](C)Cl 34a_100016084084_100000765890 [0,2,0,0,0,0|1,0,0]=3 13335 B11R0.176 CCOC(=O)CCOC[C@@H](C)N 34a_100000737577_100000765890 [0,2,0,0,0,0|1,0,0]=3 13336 B11R0.176 CCOC(=O)CCSCC(C)C 62a_100000210624_100000765890 [0,2,0,0,0,0|1,0,0]=3 13337 B11R0.176 CCOC(=O)CCSCC(C)C 62a_100000765890_100000210760 [0,2,0,0,0,0|1,0,0]=3 13338 B11R0.176 CCOC(=O)CCSCC(C)O 62a_100000765890_100011218427 [0,2,0,0,0,0|1,0,0]=3 13339 B11R0.176 CCOC(=O)CCSCC(C)O 62a_100011218427_100000765890 [0,2,0,0,0,0|1,0,0]=3 13340 B11R0.176 CCOC(=O)CCSCC(F)F 62a_100000765890_100011934356 [0,2,0,0,0,0|2,0,0]=4 13341 B11R0.176 CCOC(=O)CCSCC(F)F 62a_100011934356_100000765890 [0,2,0,0,0,0|2,0,0]=4 13342 B11R0.176 CCOC(=O)CCSC[C@@H](C)O 62a_100000765890_100009817552 [0,2,0,0,0,0|1,0,0]=3 13343 B11R0.176 CCOC(=O)CCSC[C@@H](C)O 62a_100009817552_100000765890 [0,2,0,0,0,0|1,0,0]=3 13344 B11R0.176 CCOC(=O)CNCCC(C)O 2230a_200000755665_100000188475 [0,2,0,0,0,0|1,0,0]=3 13345 B11R0.176 CCOC(=O)COCCC(=O)C 1458a_100000070787_100000088970 [0,2,0,0,0,0|1,0,1]=4 13346 B11R0.176 CCOC(=O)COCCC(=O)C 34a_100000759926_100000188475 [0,2,0,0,0,0|1,0,1]=4 13347 B11R0.176 CCOC(=O)COCCC(=O)C 7a_100000759926_100000188475 [0,2,0,0,0,0|1,0,1]=4 13348 B11R0.176 CCOC(=O)COCCC(C)Br 34a_100009893172_100000188475 [0,2,0,0,0,0|1,0,0]=3 13349 B11R0.176 CCOC(=O)COCCC(C)C 34a_100000210254_100000188475 [0,2,0,0,0,0|1,0,0]=3 13350 B11R0.176 CCOC(=O)COCCC(C)C 7a_100000210254_100000188475 [0,2,0,0,0,0|1,0,0]=3 13351 B11R0.176 CCOC(=O)COCCC(F)F 34a_100103093639_100000188475 [0,2,0,0,0,0|2,0,0]=4 13352 B11R0.176 CCOC(=O)COCCN(C)C 2230a_100102631434_100000088970 [0,2,0,0,0,0|2,0,0]=4 13353 B11R0.176 CCOC(=O)COCCN(C)C 269982a_100102631434_100000088970 [0,2,0,0,0,0|2,0,0]=4 13354 B11R0.176 CCOC(=O)COCC[C@@H](C)N 34a_100000706166_100000188475 [0,2,0,0,0,0|1,0,0]=3 13355 B11R0.176 CCOC(=O)CSCCC(=O)C 62a_100000053229_100000188475 [0,2,0,0,0,0|1,0,1]=4 13356 B11R0.176 CCOC(=O)CSCCC(=O)C 62a_100000188475_100000053229 [0,2,0,0,0,0|1,0,1]=4 13357 B11R0.176 CCOC(=O)CSCCC(C)C 62a_100000188475_100000210312 [0,2,0,0,0,0|1,0,0]=3 13358 B11R0.176 CCOC(=O)CSCCC(C)C 62a_100000210312_100000188475 [0,2,0,0,0,0|1,0,0]=3 13359 B11R0.176 CCOC(=O)CSCCC(C)O 62a_100000188475_100012276601 [0,2,0,0,0,0|1,0,0]=3 13360 B11R0.176 CCOC(=O)CSCCC(C)O 62a_100012276601_100000188475 [0,2,0,0,0,0|1,0,0]=3 13361 B11R0.176 CCOC(=O)CSCCN(C)C 62a_100000188475_100000755713 [0,2,0,0,0,0|2,0,0]=4 13362 B11R0.176 CCOC(=O)CSCOC(C)C 62a_100000188475_100000709892 [0,2,0,0,0,0|2,0,0]=4 13363 B11R0.176 CCOC(=O)CSCOC(C)C 62a_100000709892_100000188475 [0,2,0,0,0,0|2,0,0]=4 13364 B11R0.176 CCOC(=O)NCCOC(C)C 34a_100000158857_100000210206 [0,2,0,0,0,0|2,0,0]=4 13365 B11R0.176 CCOC(=O)NCCSC(C)C 62a_100000210206_200011445536 [0,2,0,0,0,0|2,0,0]=4 13366 B11R0.176 CCOC(=O)OCSCC(C)C 62a_100000210624_100000075025 [0,2,0,0,0,0|2,0,0]=4 13367 B11R0.176 CCOC(=O)OCSCC(C)O 62a_100011218427_100000075025 [0,2,0,0,0,0|2,0,0]=4 13368 B11R0.176 CCOC(=O)OCSC[C@@H](C)O 62a_100009817552_100000075025 [0,2,0,0,0,0|2,0,0]=4 13369 B11R0.176 CN(C)CCCNC(=O)CCO 240690a_102531767803_100011216618 [0,2,0,0,0,0|2,0,0]=4 13370 B11R0.176 CNNC(=O)CCCCC(C)C 22a_100016993582_100011933920 [0,2,0,0,0,0|1,0,0]=3 13371 B11R0.176 CNNC(=O)CCCCN(C)C 22a_100016993582_100000751710 [0,2,0,0,0,0|2,0,0]=4 13372 B11R0.176 CNNC(=O)NCCCC(C)C 273464a_200000737386_100016993582 [0,2,0,0,0,0|2,0,0]=4 13373 B11R0.176 CNNC(=O)NCCCC(C)C 512a_100016993582_200000737386 [0,2,0,0,0,0|2,0,0]=4 13374 B11R0.176 CNNC(=O)NCCCC(C)C 512a_200000737386_100016993582 [0,2,0,0,0,0|2,0,0]=4 13375 B11R0.176 COCC(=O)CCCCB(O)O 1458a_100000210968_200009817182 [0,2,0,0,0,0|2,0,0]=4 13376 B11R0.176 COCC(=O)CCCCC(=O)C 1458a_100000210968_100000735457 [0,2,0,0,0,0|0,0,1]=3 13377 B11R0.176 COCC(=O)CCCCC(C)C 1458a_100000210968_100011216152 [0,2,0,0,0,0|0,0,0]=2 13378 B11R0.176 COCC(=O)CCCOC(=O)C 1458a_100000210968_100000042594 [0,2,0,0,0,0|1,0,1]=4 13379 B11R0.176 COCC(=O)CCCOC(=S)C 1458a_100000210968_200135323944 [0,2,0,0,0,0|1,0,1]=4 13380 B11R0.176 COCC(=O)CCCSC(=O)C 1458a_100000210968_100000038929 [0,2,0,0,0,0|1,0,1]=4 13381 B11R0.176 COCC(=O)CCOCC(F)F 1458a_100000210968_200012177212 [0,2,0,0,0,0|2,0,0]=4 13382 B11R0.176 COCC(=O)NCCCC(C)C 11a_200000737386_100000210968 [0,2,0,0,0,0|1,0,0]=3 13383 B11R0.176 COCC(=O)NCCCC(C)C 1626a_200000737386_100000210968 [0,2,0,0,0,0|1,0,0]=3 13384 B11R0.176 COCC(=O)NCCCC(C)C 240690a_200000737386_100000210968 [0,2,0,0,0,0|1,0,0]=3 13385 B11R0.176 COCC(=O)NCCCC(C)C 527a_200000737386_100000210968 [0,2,0,0,0,0|1,0,0]=3 13386 B11R0.176 COCC(=O)NCCCN(C)C 240690a_102531767803_100000210968 [0,2,0,0,0,0|2,0,0]=4 13387 B11R0.176 COCC(=O)NCCCN(C)C 527a_102531767803_100000210968 [0,2,0,0,0,0|2,0,0]=4 13388 B11R0.176 COCC(=O)NCCCS(=O)C 11a_200000753449_100000210968 [0,2,0,0,0,0|2,0,0]=4 13389 B11R0.176 COCC(=O)NCCCS(=O)C 240690a_200000753449_100000210968 [0,2,0,0,0,0|2,0,0]=4 13390 B11R0.176 COCC(=O)NCCCS(=O)C 527a_200000753449_100000210968 [0,2,0,0,0,0|2,0,0]=4 13391 B11R0.176 COCC(=O)NCCOC(C)C 11a_100000701111_100000210968 [0,2,0,0,0,0|2,0,0]=4 13392 B11R0.176 COCC(=O)NCCOC(C)C 1626a_100000701111_100000210968 [0,2,0,0,0,0|2,0,0]=4 13393 B11R0.176 COCC(=O)NCCOC(C)C 240690a_100000701111_100000210968 [0,2,0,0,0,0|2,0,0]=4 13394 B11R0.176 COCC(=O)NCCOC(C)C 527a_100000701111_100000210968 [0,2,0,0,0,0|2,0,0]=4 13395 B11R0.176 COCC(=O)NCCSC(C)C 11a_100000731138_100000210968 [0,2,0,0,0,0|2,0,0]=4 13396 B11R0.176 COCC(=O)NCCSC(C)C 1626a_100000731138_100000210968 [0,2,0,0,0,0|2,0,0]=4 13397 B11R0.176 COCC(=O)NCCSC(C)C 240690a_100000731138_100000210968 [0,2,0,0,0,0|2,0,0]=4 13398 B11R0.176 COCC(=O)NCCSC(C)C 527a_100000731138_100000210968 [0,2,0,0,0,0|2,0,0]=4 13399 B11R0.176 CS(=O)CCCNC(=O)CCO 240690a_200000753449_100011216618 [0,2,0,0,0,0|2,0,0]=4 13400 B11R0.176 CSCC(=O)CCCCB(O)O 1458a_100000184570_200009817182 [0,2,0,0,0,0|2,0,0]=4 13401 B11R0.176 CSCC(=O)CCCCC(=O)C 1458a_100000184570_100000735457 [0,2,0,0,0,0|0,0,1]=3 13402 B11R0.176 CSCC(=O)CCCCC(C)C 1458a_100000184570_100011216152 [0,2,0,0,0,0|0,0,0]=2 13403 B11R0.176 CSCC(=O)CCCOC(=O)C 1458a_100000184570_100000042594 [0,2,0,0,0,0|1,0,1]=4 13404 B11R0.176 CSCC(=O)CCCOC(=S)C 1458a_100000184570_200135323944 [0,2,0,0,0,0|1,0,1]=4 13405 B11R0.176 CSCC(=O)CCCSC(=O)C 1458a_100000184570_100000038929 [0,2,0,0,0,0|1,0,1]=4 13406 B11R0.176 CSCC(=O)CCOCC(F)F 1458a_100000184570_200012177212 [0,2,0,0,0,0|2,0,0]=4 13407 B11R0.176 CSCC(=O)NCCCC(C)C 11a_200000737386_100000184570 [0,2,0,0,0,0|1,0,0]=3 13408 B11R0.176 CSCC(=O)NCCCC(C)C 1626a_200000737386_100000184570 [0,2,0,0,0,0|1,0,0]=3 13409 B11R0.176 CSCC(=O)NCCCC(C)C 240690a_200000737386_100000184570 [0,2,0,0,0,0|1,0,0]=3 13410 B11R0.176 CSCC(=O)NCCCC(C)C 527a_200000737386_100000184570 [0,2,0,0,0,0|1,0,0]=3 13411 B11R0.176 CSCC(=O)NCCCN(C)C 240690a_102531767803_100000184570 [0,2,0,0,0,0|2,0,0]=4 13412 B11R0.176 CSCC(=O)NCCCN(C)C 527a_102531767803_100000184570 [0,2,0,0,0,0|2,0,0]=4 13413 B11R0.176 CSCC(=O)NCCCS(=O)C 11a_200000753449_100000184570 [0,2,0,0,0,0|2,0,0]=4 13414 B11R0.176 CSCC(=O)NCCCS(=O)C 240690a_200000753449_100000184570 [0,2,0,0,0,0|2,0,0]=4 13415 B11R0.176 CSCC(=O)NCCCS(=O)C 527a_200000753449_100000184570 [0,2,0,0,0,0|2,0,0]=4 13416 B11R0.176 CSCC(=O)NCCOC(C)C 11a_100000701111_100000184570 [0,2,0,0,0,0|2,0,0]=4 13417 B11R0.176 CSCC(=O)NCCOC(C)C 1626a_100000701111_100000184570 [0,2,0,0,0,0|2,0,0]=4 13418 B11R0.176 CSCC(=O)NCCOC(C)C 240690a_100000701111_100000184570 [0,2,0,0,0,0|2,0,0]=4 13419 B11R0.176 CSCC(=O)NCCOC(C)C 527a_100000701111_100000184570 [0,2,0,0,0,0|2,0,0]=4 13420 B11R0.176 CSCC(=O)NCCSC(C)C 11a_100000731138_100000184570 [0,2,0,0,0,0|2,0,0]=4 13421 B11R0.176 CSCC(=O)NCCSC(C)C 1626a_100000731138_100000184570 [0,2,0,0,0,0|2,0,0]=4 13422 B11R0.176 CSCC(=O)NCCSC(C)C 240690a_100000731138_100000184570 [0,2,0,0,0,0|2,0,0]=4 13423 B11R0.176 CSCC(=O)NCCSC(C)C 527a_100000731138_100000184570 [0,2,0,0,0,0|2,0,0]=4 13424 B11R0.176 C[C@@H](N)CCOCC(=O)NCO 34a_100000706166_100000185155 [0,2,0,0,0,0|2,0,0]=4 13425 B11R0.176 O=C(CCO)CCCCB(O)O 1458a_100011216618_200009817182 [0,2,0,0,0,0|2,0,0]=4 13426 B11R0.176 O=C(CCO)CCOCC(F)F 1458a_100011216618_200012177212 [0,2,0,0,0,0|2,0,0]=4 13427 B11R0.304 CCCCCCC(C)(C)OCC 7a_200011995690_100000210202 [0,2,0,0,0,0|1,0,1]=4 13428 B11R0.304 CCCCCCS(=O)(=O)NCC 270084a_100015525214_100011361803 [0,2,0,0,0,0|1,0,0]=3 13429 B11R0.304 CCCCCCS(=O)(=O)NCC 274078a_100015525214_100011361803 [0,2,0,0,0,0|1,0,0]=3 13430 B11R0.304 CCCCCNS(=O)(=O)CCBr 270084a_100000209983_100000731045 [0,2,0,0,0,0|2,0,0]=4 13431 B11R0.304 CCCCCNS(=O)(=O)CCBr 274078a_100000209983_100000731045 [0,2,0,0,0,0|2,0,0]=4 13432 B11R0.304 CCCCCNS(=O)(=O)CCC 270084a_100000209983_100000211391 [0,2,0,0,0,0|2,0,0]=4 13433 B11R0.304 CCCCCNS(=O)(=O)CCC 274078a_100000209983_100000211391 [0,2,0,0,0,0|2,0,0]=4 13434 B11R0.304 CCCCCNS(=O)(=O)CCC 40a_100000209983_100000054278 [0,2,0,0,0,0|2,0,0]=4 13435 B11R0.304 CCCCCNS(=O)(=O)CCCl 270084a_100000209983_100000184613 [0,2,0,0,0,0|2,0,0]=4 13436 B11R0.304 CCCCCNS(=O)(=O)CCCl 274078a_100000209983_100000184613 [0,2,0,0,0,0|2,0,0]=4 13437 B11R0.43 CCC(=O)CC(=O)C(C)COC 1458a_100000751857_100000747405 [0,2,0,0,0,0|1,0,1]=4 13438 B11R0.43 CCC(=O)CC(=O)C(C)CSC 1458a_100000753918_100000747405 [0,2,0,0,0,0|1,0,1]=4 13439 B11R0.43 CCC(=O)CN(C)C(C)CCO 269982a_100000731037_100000747405 [0,2,0,0,0,0|2,0,0]=4 13440 B11R0.43 CCCC(=O)C(C)CC(=O)OC 1458a_100000037256_100000210303 [0,2,0,0,0,0|1,0,1]=4 13441 B11R0.43 CCCC(=O)C(C)NC(=O)CC 1458a_100000194823_100000210303 [0,2,0,0,0,0|1,0,1]=4 13442 B11R0.43 CCCC(C)C(=O)CC(=O)CC 1458a_100000210906_100000747405 [0,2,0,0,0,0|0,0,1]=3 13443 B11R0.43 CCCC(C)C(=O)CC(=O)NC 1458a_100000210906_100000183359 [0,2,0,0,0,0|1,0,1]=4 13444 B11R0.43 CCCC(C)C(=O)CC(=O)OC 1458a_100000210906_100000747449 [0,2,0,0,0,0|1,0,1]=4 13445 B11R0.43 CCCC(C)C(=O)CC(=O)OC 1458a_100000211351_100000766640 [0,2,0,0,0,0|1,0,1]=4 13446 B11R0.43 CCCC(C)N(C)CC(=O)NC 2230a_100000189611_100000766640 [0,2,0,0,0,0|2,0,0]=4 13447 B11R0.43 CCCC(C)N(C)CC(=O)NC 270004a_100000189611_100000211909 [0,2,0,0,0,0|2,0,0]=4 13448 B11R0.43 CCCC(C)N(C)CC(=O)OC 2230a_100000198492_100000766640 [0,2,0,0,0,0|2,0,0]=4 13449 B11R0.43 CCCC(C)N(C)CC(=O)OC 270004a_100000198492_100000211909 [0,2,0,0,0,0|2,0,0]=4 13450 B11R0.43 CCCN(C)C(C)CC(=O)NC 2230a_100015186911_100000210303 [0,2,0,0,0,0|2,0,0]=4 13451 B11R0.43 CCCN(C)C(C)CC(=O)NC 269982a_100015186911_100000210303 [0,2,0,0,0,0|2,0,0]=4 13452 B11R0.43 CCCN(C)C(C)CC(=O)OC 2230a_100000747261_100009817358 [0,2,0,0,0,0|2,0,0]=4 13453 B11R0.43 CCCN(C)C(C)CC(=O)OC 269982a_100000747261_100009817358 [0,2,0,0,0,0|2,0,0]=4 13454 B11R0.43 CCC[C@H](O)C(=O)CC(=O)CC 1458a_100009822183_100000747405 [0,2,0,0,0,0|0,0,1]=3 13455 B11R0.43 CCC[C@H](O)C(=O)CC(=O)NC 1458a_100009822183_100000183359 [0,2,0,0,0,0|1,0,1]=4 13456 B11R0.43 CCC[C@H](O)C(=O)CC(=O)OC 1458a_100009822183_100000747449 [0,2,0,0,0,0|1,0,1]=4 13457 B11R0.43 CCOC(C)C(=O)CC(=O)CC 1458a_100000739345_100000747405 [0,2,0,0,0,0|1,0,1]=4 13458 B11R0.43 CCSC(C)C(=O)CC(=O)CC 1458a_100000230601_100000747405 [0,2,0,0,0,0|1,0,1]=4 13459 B11R0.73 CCC(=O)C(C)C(=O)CCOC 1458a_100000749529_100000742827 [0,2,0,0,0,0|1,0,1]=4 13460 B11R0.73 CCC(=O)C(C)C(=O)CCSC 1458a_100000174002_100000742827 [0,2,0,0,0,0|1,0,1]=4 13461 B11R0.73 CCC(=O)C(C)N(C)CCCO 2230a_100000213112_100000742827 [0,2,0,0,0,0|2,0,0]=4 13462 B11R0.73 CCC(=O)C(C)N(C)CCCO 269982a_100000213112_100000742827 [0,2,0,0,0,0|2,0,0]=4 13463 B11R0.73 CCC(=O)C(C)N(C)CCOC 2230a_100000743101_100000742827 [0,2,0,0,0,0|2,0,0]=4 13464 B11R0.73 CCC(=O)C(C)N(C)CCOC 269982a_100000743101_100000742827 [0,2,0,0,0,0|2,0,0]=4 13465 B11R0.73 CCC(=O)C(C)N(C)CCSC 2230a_100000686725_100000742827 [0,2,0,0,0,0|2,0,0]=4 13466 B11R0.73 CCC(=O)C(C)N(C)CCSC 269982a_100000686725_100000742827 [0,2,0,0,0,0|2,0,0]=4 13467 B11R0.73 CCCCC(=O)C(C)C(=O)CC 1458a_100000210183_100000742827 [0,2,0,0,0,0|0,0,1]=3 13468 B11R0.73 CCCCC(=O)C(C)C(=O)NC 1458a_100000210183_100000209862 [0,2,0,0,0,0|1,0,1]=4 13469 B11R0.73 CCCCC(=O)C(C)C(=O)OC 1458a_100000210183_100000211248 [0,2,0,0,0,0|1,0,1]=4 13470 B11R0.73 CCCCC(=O)C(C)C(=O)OC 1458a_100012027023_100000210211 [0,2,0,0,0,0|1,0,1]=4 13471 B11R0.73 CCCCC(=O)C(F)C(=O)NC 1458a_100000210183_100009813575 [0,2,0,0,0,0|1,0,1]=4 13472 B11R0.73 CCCCC(C)C(=O)C(=O)NC 1458a_100011218921_200011215066 [0,2,0,0,0,0|1,0,1]=4 13473 B11R0.73 CCCCN(C)C(C)C(=O)CC 2230a_100000207549_100000742827 [0,2,0,0,0,0|1,0,0]=3 13474 B11R0.73 CCCCN(C)C(C)C(=O)CC 269982a_100000207549_100000742827 [0,2,0,0,0,0|1,0,0]=3 13475 B11R0.73 CCCCN(C)C(C)C(=O)NC 2230a_100000207549_100000731044 [0,2,0,0,0,0|2,0,0]=4 13476 B11R0.73 CCCCN(C)C(C)C(=O)NC 269982a_100000207549_100000209862 [0,2,0,0,0,0|2,0,0]=4 13477 B11R0.73 CCCCN(C)C(C)C(=O)OC 2230a_100000207549_100000211248 [0,2,0,0,0,0|2,0,0]=4 13478 B11R0.73 CCCCN(C)C(C)C(=O)OC 2230a_100000725243_100000210211 [0,2,0,0,0,0|2,0,0]=4 13479 B11R0.73 CCCCN(C)C(C)C(=O)OC 269982a_100000207549_100000211248 [0,2,0,0,0,0|2,0,0]=4 13480 B11R0.73 CCCCN(C)C(C)C(=O)OC 269982a_100000725243_100000210211 [0,2,0,0,0,0|2,0,0]=4 13481 B11R0.73 CCCCN(C)C(F)C(=O)NC 2230a_100000207549_100009813575 [0,2,0,0,0,0|2,0,0]=4 13482 B11R0.73 CCCCN(C)C(F)C(=O)NC 269982a_100000207549_100009813575 [0,2,0,0,0,0|2,0,0]=4 13483 B11R0.73 CCCNC(=O)C(C)C(=O)CC 1458a_100000210414_100000230305 [0,2,0,0,0,0|1,0,1]=4 13484 B11R0.73 CCCOC(=O)C(C)C(=O)CC 1458a_100000210414_100000760410 [0,2,0,0,0,0|1,0,1]=4 13485 B11R0.73 CCCO[C@H](C)[C@H](N)C(=O)NC 34a_100102634413_100000210303 [0,2,0,0,0,0|2,0,0]=4 13486 B11R0.73 CCCO[C@H](C)[C@H](N)C(=O)OC 34a_100000004424_100000210303 [0,2,0,0,0,0|2,0,0]=4 13487 B11R0.73 CCOCC(=O)C(C)C(=O)CC 1458a_100000211967_100000742827 [0,2,0,0,0,0|1,0,1]=4 13488 B11R0.73 CCSCC(=O)C(C)C(=O)CC 1458a_100000230394_100000742827 [0,2,0,0,0,0|1,0,1]=4 13489 B11R0.83 CCCCC(=O)CS(=O)(=O)CC 1458a_100000744335_100000210211 [0,2,0,0,0,0|1,0,1]=4 13490 B11R0.83 CCCCC(C)NS(=O)(=O)CC 270084a_100000126638_100000211323 [0,2,0,0,0,0|2,0,0]=4 13491 B11R0.83 CCCCC(C)NS(=O)(=O)CC 274078a_100000126638_100000211323 [0,2,0,0,0,0|2,0,0]=4 13492 B11R0.83 CCCCC(C)NS(=O)(=O)CC 40a_100000126638_100000053943 [0,2,0,0,0,0|2,0,0]=4 13493 B11R0.93 C=C(C)CCC(=O)CC(=O)CC 1458a_200000688413_100000747405 [0,2,0,0,0,0|0,0,2]=4 13494 B11R0.93 CC(C)CCC(C)NC(=O)CO 240690a_100138410893_100000210174 [0,2,0,0,0,0|2,0,0]=4 13495 B11R0.93 CC(C)CCC(C)NC(=O)CO 527a_100138410893_100000210174 [0,2,0,0,0,0|2,0,0]=4 13496 B11R0.93 CCC(=O)CC(=O)CCC(C)C 1458a_100000181311_100000747405 [0,2,0,0,0,0|0,0,1]=3 13497 B11R0.93 CCC(=O)CC(=O)CC[S+](C)C 1458a_100009452791_100000747405 [0,2,0,0,0,0|1,0,1]=4 13498 B11R0.93 CCC(=O)CC(=O)COC(C)C 1458a_100000745533_100000747405 [0,2,0,0,0,0|1,0,1]=4 13499 B11R0.93 CCC(=O)CC(=O)CSC(C)C 1458a_100000241585_100000747405 [0,2,0,0,0,0|1,0,1]=4 13500 B11R0.93 CCC(=O)CC(=O)NCC(C)C 1458a_100000210414_100000183291 [0,2,0,0,0,0|1,0,1]=4 13501 B11R0.93 CCC(=O)CC(C)CSC(=O)C 1458a_100000210414_200000116872 [0,2,0,0,0,0|1,0,1]=4 13502 B11R0.93 CCC(=O)CN(C)CCC(C)C 269982a_100000742789_100000747405 [0,2,0,0,0,0|1,0,0]=3 13503 B11R0.93 CCC(=O)CN(C)CCN(C)C 269982a_100000225618_100000747405 [0,2,0,0,0,0|2,0,0]=4 13504 B11R0.93 CCC(=O)NC(C)CCC(C)C 11a_100138410893_100000210414 [0,2,0,0,0,0|1,0,0]=3 13505 B11R0.93 CCC(=O)NC(C)CCC(C)C 1626a_100138410893_100000210414 [0,2,0,0,0,0|1,0,0]=3 13506 B11R0.93 CCC(=O)NC(C)CCC(C)C 240690a_100138410893_100000210414 [0,2,0,0,0,0|1,0,0]=3 13507 B11R0.93 CCC(=O)NC(C)CCC(C)C 527a_100138410893_100000210414 [0,2,0,0,0,0|1,0,0]=3 13508 B11R0.93 CNC(=O)CC(=O)CCC(C)C 1458a_100000181311_100000183359 [0,2,0,0,0,0|1,0,1]=4 13509 B11R0.93 CNC(=O)CN(C)CCC(C)C 2230a_100000189611_100000210312 [0,2,0,0,0,0|2,0,0]=4 13510 B11R0.93 CNC(=O)CN(C)CCC(C)C 2230a_100000742789_100000183359 [0,2,0,0,0,0|2,0,0]=4 13511 B11R0.93 CNC(=O)CN(C)CCC(C)C 269982a_100000742789_100000183359 [0,2,0,0,0,0|2,0,0]=4 13512 B11R0.93 CNC(=O)CN(C)CCC(C)O 2230a_100000189611_100012276601 [0,2,0,0,0,0|2,0,0]=4 13513 B11R0.93 CNC(=O)NC(C)CCC(C)C 2708a_100102657272_100138410893 [0,2,0,0,0,0|2,0,0]=4 13514 B11R0.93 CNC(=O)NC(C)CCC(C)C 2708a_100138410893_106832991635 [0,2,0,0,0,0|2,0,0]=4 13515 B11R0.93 CNC(=O)NC(C)CCC(C)C 273464a_100138410893_100102657272 [0,2,0,0,0,0|2,0,0]=4 13516 B11R0.93 CNC(=O)NC(C)CCC(C)C 512a_100138410893_100102657272 [0,2,0,0,0,0|2,0,0]=4 13517 B11R0.93 CNC(=O)NC(C)CCC(C)C 512a_106832991638_100138410893 [0,2,0,0,0,0|2,0,0]=4 13518 B11R0.93 COC(=O)CC(=O)CCC(C)C 1458a_100000181311_100000747449 [0,2,0,0,0,0|1,0,1]=4 13519 B11R0.93 COC(=O)CC(=O)CCC(C)C 1458a_100000211351_100000210312 [0,2,0,0,0,0|1,0,1]=4 13520 B11R0.93 COC(=O)CC(=O)CCC(C)O 1458a_100000211351_100012276601 [0,2,0,0,0,0|1,0,1]=4 13521 B11R0.93 COC(=O)CC(C)NCC(C)C 2230a_100000210953_100009817358 [0,2,0,0,0,0|2,0,0]=4 13522 B11R0.93 COC(=O)CC(C)NCC(C)C 34a_100000210953_100009817358 [0,2,0,0,0,0|2,0,0]=4 13523 B11R0.93 COC(=O)CC(C)NCC(C)O 2230a_100000210904_100009817358 [0,2,0,0,0,0|2,0,0]=4 13524 B11R0.93 COC(=O)CC(C)NCC(C)O 34a_100000210904_100009817358 [0,2,0,0,0,0|2,0,0]=4 13525 B11R0.93 COC(=O)CC(C)OCC(C)Br 34a_100012180447_100009817358 [0,2,0,0,0,0|2,0,0]=4 13526 B11R0.93 COC(=O)CC(C)OCC(C)C 34a_100000210257_100009817358 [0,2,0,0,0,0|2,0,0]=4 13527 B11R0.93 COC(=O)CC(C)OCC(C)F 34a_100015925927_100009817358 [0,2,0,0,0,0|2,0,0]=4 13528 B11R0.93 COC(=O)CC(C)OC[C@@H](C)Cl 34a_100016084084_100009817358 [0,2,0,0,0,0|2,0,0]=4 13529 B11R0.93 COC(=O)CC(C)OC[C@@H](C)N 34a_100000737577_100009817358 [0,2,0,0,0,0|2,0,0]=4 13530 B11R0.93 COC(=O)CC(C)SCC(C)C 62a_100000210624_100009817358 [0,2,0,0,0,0|2,0,0]=4 13531 B11R0.93 COC(=O)CC(C)SCC(C)C 62a_100009817358_100000210760 [0,2,0,0,0,0|2,0,0]=4 13532 B11R0.93 COC(=O)CC(C)SCC(C)O 62a_100009817358_100011218427 [0,2,0,0,0,0|2,0,0]=4 13533 B11R0.93 COC(=O)CC(C)SCC(C)O 62a_100011218427_100009817358 [0,2,0,0,0,0|2,0,0]=4 13534 B11R0.93 COC(=O)CC(C)SC[C@@H](C)O 62a_100009817358_100009817552 [0,2,0,0,0,0|2,0,0]=4 13535 B11R0.93 COC(=O)CC(C)SC[C@@H](C)O 62a_100009817552_100009817358 [0,2,0,0,0,0|2,0,0]=4 13536 B11R0.93 COC(=O)CN(C)CCC(C)C 2230a_100000198492_100000210312 [0,2,0,0,0,0|2,0,0]=4 13537 B11R0.93 COC(=O)CN(C)CCC(C)C 2230a_100000742789_100000747449 [0,2,0,0,0,0|2,0,0]=4 13538 B11R0.93 COC(=O)CN(C)CCC(C)C 269982a_100000742789_100000747449 [0,2,0,0,0,0|2,0,0]=4 13539 B11R0.93 COC(=O)CN(C)CCC(C)O 2230a_100000198492_100012276601 [0,2,0,0,0,0|2,0,0]=4 13540 B11R0.93 COC(=O)C[C@@H](O)CNC(C)C 34a_100138425928_100000754131 [0,2,0,0,0,0|2,0,0]=4 13541 B11R0.93 COC(=O)C[C@@H](O)COC(C)C 34a_100000212225_100000754131 [0,2,0,0,0,0|2,0,0]=4 13542 B11R0.93 COC(=O)C[C@@H](O)CSC(C)C 62a_100000210206_100000754131 [0,2,0,0,0,0|2,0,0]=4 13543 B11R0.93 COC(=O)C[C@@H](O)CSC(C)C 62a_100000754131_100000210206 [0,2,0,0,0,0|2,0,0]=4 13544 B11R0.110 CCC(=O)CC(=O)CC(C)CC 1458a_100000708755_100000747405 [0,2,0,0,0,0|0,0,1]=3 13545 B11R0.110 CCC(=O)CC(=O)CC(O)CC 1458a_100011667805_100000747405 [0,2,0,0,0,0|0,0,1]=3 13546 B11R0.110 CCC(=O)CC(=O)CN(C)CC 1458a_100116209913_100000747405 [0,2,0,0,0,0|1,0,1]=4 13547 B11R0.110 CCC(=O)CC(=O)NC(C)CC 1458a_100000210414_100000182745 [0,2,0,0,0,0|1,0,1]=4 13548 B11R0.110 CCC(=O)CC(C)CC(=O)OC 1458a_100000732146_100000210202 [0,2,0,0,0,0|1,0,1]=4 13549 B11R0.110 CCC(=O)CN(C)CC(C)CC 269982a_100000753921_100000747405 [0,2,0,0,0,0|1,0,0]=3 13550 B11R0.110 CCC(=O)CN(C)CC(O)CO 269982a_100011216503_100000747405 [0,2,0,0,0,0|2,0,0]=4 13551 B11R0.110 CCC(=O)NC(C)CC(C)CC 11a_100000763565_100000210414 [0,2,0,0,0,0|1,0,0]=3 13552 B11R0.110 CCC(=O)NC(C)CC(C)CC 1626a_100000763565_100000210414 [0,2,0,0,0,0|1,0,0]=3 13553 B11R0.110 CCC(=O)NC(C)CC(C)CC 240690a_100000763565_100000210414 [0,2,0,0,0,0|1,0,0]=3 13554 B11R0.110 CCC(=O)NC(C)CC(C)CC 527a_100000763565_100000210414 [0,2,0,0,0,0|1,0,0]=3 13555 B11R0.110 CCC(C)CC(=O)CC(=O)NC 1458a_100000708755_100000183359 [0,2,0,0,0,0|1,0,1]=4 13556 B11R0.110 CCC(C)CC(=O)CC(=O)OC 1458a_100000211351_100000748023 [0,2,0,0,0,0|1,0,1]=4 13557 B11R0.110 CCC(C)CC(=O)CC(=O)OC 1458a_100000708755_100000747449 [0,2,0,0,0,0|1,0,1]=4 13558 B11R0.110 CCC(C)CC(C)NC(=O)CO 240690a_100000763565_100000210174 [0,2,0,0,0,0|2,0,0]=4 13559 B11R0.110 CCC(C)CC(C)NC(=O)CO 527a_100000763565_100000210174 [0,2,0,0,0,0|2,0,0]=4 13560 B11R0.110 CCC(C)CC(C)NC(=O)NC 2708a_100000763565_106832991635 [0,2,0,0,0,0|2,0,0]=4 13561 B11R0.110 CCC(C)CC(C)NC(=O)NC 2708a_100102657272_100000763565 [0,2,0,0,0,0|2,0,0]=4 13562 B11R0.110 CCC(C)CC(C)NC(=O)NC 273464a_100000763565_100102657272 [0,2,0,0,0,0|2,0,0]=4 13563 B11R0.110 CCC(C)CC(C)NC(=O)NC 273464a_100102657272_100000763565 [0,2,0,0,0,0|2,0,0]=4 13564 B11R0.110 CCC(C)CC(C)NC(=O)NC 512a_100000763565_100102657272 [0,2,0,0,0,0|2,0,0]=4 13565 B11R0.110 CCC(C)CC(C)NC(=O)NC 512a_106832991638_100000763565 [0,2,0,0,0,0|2,0,0]=4 13566 B11R0.110 CCC(C)CN(C)CC(=O)NC 2230a_100000189611_100000748023 [0,2,0,0,0,0|2,0,0]=4 13567 B11R0.110 CCC(C)CN(C)CC(=O)NC 2230a_100000753921_100000183359 [0,2,0,0,0,0|2,0,0]=4 13568 B11R0.110 CCC(C)CN(C)CC(=O)NC 269982a_100000753921_100000183359 [0,2,0,0,0,0|2,0,0]=4 13569 B11R0.110 CCC(C)CN(C)CC(=O)NC 270004a_100000189611_100000243153 [0,2,0,0,0,0|2,0,0]=4 13570 B11R0.110 CCC(C)CN(C)CC(=O)OC 2230a_100000198492_100000748023 [0,2,0,0,0,0|2,0,0]=4 13571 B11R0.110 CCC(C)CN(C)CC(=O)OC 2230a_100000753921_100000747449 [0,2,0,0,0,0|2,0,0]=4 13572 B11R0.110 CCC(C)CN(C)CC(=O)OC 269982a_100000753921_100000747449 [0,2,0,0,0,0|2,0,0]=4 13573 B11R0.110 CCC(C)CN(C)CC(=O)OC 270004a_100000198492_100000243153 [0,2,0,0,0,0|2,0,0]=4 13574 B11R0.110 CCC(C)NC(C)CC(=O)OC 2230a_100000209981_100009817358 [0,2,0,0,0,0|2,0,0]=4 13575 B11R0.110 CCC(C)OC(C)CC(=O)OC 7a_100000210228_100009817358 [0,2,0,0,0,0|2,0,0]=4 13576 B11R0.110 CCC(C)SC(C)CC(=O)OC 62a_100000758301_100009817358 [0,2,0,0,0,0|2,0,0]=4 13577 B11R0.110 CCC(C)SC(C)CC(=O)OC 62a_100009817358_100000758301 [0,2,0,0,0,0|2,0,0]=4 13578 B11R0.110 CCC(O)CC(=O)CC(=O)NC 1458a_100011667805_100000183359 [0,2,0,0,0,0|1,0,1]=4 13579 B11R0.110 CCC(O)CC(=O)CC(=O)OC 1458a_100000211351_100011218378 [0,2,0,0,0,0|1,0,1]=4 13580 B11R0.110 CCC(O)CC(=O)CC(=O)OC 1458a_100011667805_100000747449 [0,2,0,0,0,0|1,0,1]=4 13581 B11R0.110 CCC(O)CN(C)CC(=O)NC 2230a_100000189611_100011218378 [0,2,0,0,0,0|2,0,0]=4 13582 B11R0.110 CCC(O)CN(C)CC(=O)OC 2230a_100000198492_100011218378 [0,2,0,0,0,0|2,0,0]=4 13583 B11R0.110 CC[C@H](C)CC(=O)CC(=O)OC 1458a_100000211351_100009816398 [0,2,0,0,0,0|1,0,1]=4 13584 B11R0.110 CC[C@H](C)CN(C)CC(=O)NC 2230a_100000189611_100009816398 [0,2,0,0,0,0|2,0,0]=4 13585 B11R0.110 CC[C@H](C)CN(C)CC(=O)OC 2230a_100000198492_100009816398 [0,2,0,0,0,0|2,0,0]=4 13586 B11R0.154 C#CC(=O)CC(=O)CCCCC 1458a_100000211873_200012276598 [0,2,0,0,0,0|0,0,2]=4 13587 B11R0.154 C#CCCCC(=O)CC(=O)CC 1458a_100000690238_100000747405 [0,2,0,0,0,0|0,0,2]=4 13588 B11R0.154 C=CC(=O)CC(=O)CCCCC 1458a_100000185746_200012276598 [0,2,0,0,0,0|0,0,2]=4 13589 B11R0.154 C=CC(=O)NC(C)CCCCC 1626a_100000211957_100000185746 [0,2,0,0,0,0|0,0,2]=4 13590 B11R0.154 C=CC(=O)NC(C)CCCCC 240690a_100000211957_200121576911 [0,2,0,0,0,0|0,0,2]=4 13591 B11R0.154 C=CCCCC(=O)CC(=O)CC 1458a_100000766728_100000747405 [0,2,0,0,0,0|0,0,2]=4 13592 B11R0.154 CC/C=C/CC(=O)CC(=O)CC 1458a_100016274230_100000747405 [0,2,0,0,0,0|0,0,2]=4 13593 B11R0.154 CCC(=O)CC(=O)CCCC#N 1458a_100000075515_100000747405 [0,2,0,0,0,0|0,0,2]=4 13594 B11R0.154 CCC(=O)CC(=O)CCCCO 1458a_100000695505_100000747405 [0,2,0,0,0,0|0,0,1]=3 13595 B11R0.154 CCC(=O)CC(=O)CCCOC 1458a_100000741012_100000747405 [0,2,0,0,0,0|0,0,1]=3 13596 B11R0.154 CCC(=O)CC(=O)CCCSC 1458a_100000173376_100000747405 [0,2,0,0,0,0|0,0,1]=3 13597 B11R0.154 CCC(=O)CC(=O)COCCO 1458a_100000708028_100000747405 [0,2,0,0,0,0|1,0,1]=4 13598 B11R0.154 CCC(=O)CC(=O)NCCOC 1458a_100000210414_100000183275 [0,2,0,0,0,0|1,0,1]=4 13599 B11R0.154 CCC(=O)CC(=O)OCCOC 1458a_100000210414_200000040189 [0,2,0,0,0,0|1,0,1]=4 13600 B11R0.154 CCC(=O)CN(C)CCCCO 269982a_100000717598_100000747405 [0,2,0,0,0,0|1,0,0]=3 13601 B11R0.154 CCC(=O)CN(C)CCCOC 269982a_100000224831_100000747405 [0,2,0,0,0,0|1,0,0]=3 13602 B11R0.154 CCCC#CC(=O)CC(=O)CC 1458a_200011218047_100000747405 [0,2,0,0,0,0|0,0,2]=4 13603 B11R0.154 CCCC=CC(=O)CC(=O)CC 1458a_100000212230_100000747405 [0,2,0,0,0,0|0,0,2]=4 13604 B11R0.154 CCCCCC(=O)C=C(C)CC 1458a_100020758463_100000210326 [0,2,0,0,0,0|1,0,1]=4 13605 B11R0.154 CCCCCC(=O)CC(=O)CC 1458a_100000210414_200012276598 [0,2,0,0,0,0|0,0,0]=2 13606 B11R0.154 CCCCCC(=O)CC(=O)CC 1458a_100000212188_100000747405 [0,2,0,0,0,0|0,0,0]=2 13607 B11R0.154 CCCCCC(=O)CC(=O)CO 1458a_100000210174_200012276598 [0,2,0,0,0,0|1,0,0]=3 13608 B11R0.154 CCCCCC(=O)CC(=O)NC 1458a_100000212188_100000183359 [0,2,0,0,0,0|1,0,0]=3 13609 B11R0.154 CCCCCC(=O)CC(=O)OC 1458a_100000211351_100000210326 [0,2,0,0,0,0|1,0,0]=3 13610 B11R0.154 CCCCCC(=O)CC(=O)OC 1458a_100000212188_100000747449 [0,2,0,0,0,0|1,0,0]=3 13611 B11R0.154 CCCCCC(=O)CC(C)CC 1458a_100000212188_100000748023 [0,2,0,0,0,0|1,0,1]=4 13612 B11R0.154 CCCCCC(=O)CC(C)CC 1458a_100000708755_100000210326 [0,2,0,0,0,0|1,0,1]=4 13613 B11R0.154 CCCCCC(=O)CC(O)CC 1458a_100000212188_100011218378 [0,2,0,0,0,0|0,0,2]=4 13614 B11R0.154 CCCCCC(=O)CC(O)CC 1458a_100011667805_100000210326 [0,2,0,0,0,0|0,0,2]=4 13615 B11R0.154 CCCCCC(=O)CN(C)CC 1458a_100116209913_100000210326 [0,2,0,0,0,0|2,0,0]=4 13616 B11R0.154 CCCCCC(=O)CN(C)CC 2230a_100000225621_200012276598 [0,2,0,0,0,0|2,0,0]=4 13617 B11R0.154 CCCCCC(=O)CN(C)CC 269982a_100000225621_200012276598 [0,2,0,0,0,0|2,0,0]=4 13618 B11R0.154 CCCCCC(=O)C[C@@H](C)CC 1458a_100000212188_100009816398 [0,2,0,0,0,0|1,0,1]=4 13619 B11R0.154 CCCCCC(C)NC(=O)CC 11a_100000211957_100000210414 [0,2,0,0,0,0|0,0,0]=2 13620 B11R0.154 CCCCCC(C)NC(=O)CC 1626a_100000211957_100000210414 [0,2,0,0,0,0|0,0,0]=2 13621 B11R0.154 CCCCCC(C)NC(=O)CC 240690a_100000211957_100000210414 [0,2,0,0,0,0|0,0,0]=2 13622 B11R0.154 CCCCCC(C)NC(=O)CC 527a_100000211957_100000210414 [0,2,0,0,0,0|0,0,0]=2 13623 B11R0.154 CCCCCC(C)NC(=O)CO 240690a_100000211957_100000210174 [0,2,0,0,0,0|1,0,0]=3 13624 B11R0.154 CCCCCC(C)NC(=O)CO 527a_100000211957_100000210174 [0,2,0,0,0,0|1,0,0]=3 13625 B11R0.154 CCCCCC(C)NC(=O)NC 2708a_100000211957_106832991635 [0,2,0,0,0,0|1,0,0]=3 13626 B11R0.154 CCCCCC(C)NC(=O)NC 2708a_100102657272_100000211957 [0,2,0,0,0,0|1,0,0]=3 13627 B11R0.154 CCCCCC(C)NC(=O)NC 273464a_100000211957_100102657272 [0,2,0,0,0,0|1,0,0]=3 13628 B11R0.154 CCCCCC(C)NC(=O)NC 273464a_100102657272_100000211957 [0,2,0,0,0,0|1,0,0]=3 13629 B11R0.154 CCCCCC(C)NC(=O)NC 512a_100000211957_100102657272 [0,2,0,0,0,0|1,0,0]=3 13630 B11R0.154 CCCCCC(C)NC(=O)NC 512a_106832991638_100000211957 [0,2,0,0,0,0|1,0,0]=3 13631 B11R0.154 CCCCCC(C)NC(C)CC 2230a_100000209981_200011218191 [0,2,0,0,0,0|1,0,1]=4 13632 B11R0.154 CCCCCC(C)NC(C)CC 2230a_100000211957_100000758301 [0,2,0,0,0,0|1,0,1]=4 13633 B11R0.154 CCCCCC(C)NC(C)CC 270004a_100000209981_100000211708 [0,2,0,0,0,0|1,0,1]=4 13634 B11R0.154 CCCCCC(C)OC(C)CC 34a_100011215632_100011215416 [0,2,0,0,0,0|1,0,1]=4 13635 B11R0.154 CCCCCC(C)OC(C)CC 7a_100000210228_200011218191 [0,2,0,0,0,0|1,0,1]=4 13636 B11R0.154 CCCCCC(C)OC(C)CC 7a_100011215632_100000758301 [0,2,0,0,0,0|1,0,1]=4 13637 B11R0.154 CCCCCC(C)SC(C)CC 62a_100000758301_200011218191 [0,2,0,0,0,0|1,0,1]=4 13638 B11R0.154 CCCCCC(C)SC(C)CC 62a_200011218191_100000758301 [0,2,0,0,0,0|1,0,1]=4 13639 B11R0.154 CCCCCN(C)CC(=O)CC 269982a_100000223495_100000747405 [0,2,0,0,0,0|0,0,0]=2 13640 B11R0.154 CCCCCN(C)CC(=O)NC 2230a_100000189611_100000210326 [0,2,0,0,0,0|1,0,0]=3 13641 B11R0.154 CCCCCN(C)CC(=O)NC 2230a_100000223495_100000183359 [0,2,0,0,0,0|1,0,0]=3 13642 B11R0.154 CCCCCN(C)CC(=O)NC 269982a_100000223495_100000183359 [0,2,0,0,0,0|1,0,0]=3 13643 B11R0.154 CCCCCN(C)CC(=O)OC 2230a_100000198492_100000210326 [0,2,0,0,0,0|1,0,0]=3 13644 B11R0.154 CCCCCN(C)CC(=O)OC 2230a_100000223495_100000747449 [0,2,0,0,0,0|1,0,0]=3 13645 B11R0.154 CCCCCN(C)CC(=O)OC 269982a_100000223495_100000747449 [0,2,0,0,0,0|1,0,0]=3 13646 B11R0.154 CCCCCN(C)CC(C)CC 2230a_100000223495_100000748023 [0,2,0,0,0,0|1,0,1]=4 13647 B11R0.154 CCCCCN(C)CC(C)CC 2230a_100000753921_100000210326 [0,2,0,0,0,0|1,0,1]=4 13648 B11R0.154 CCCCCN(C)CC(C)CC 269982a_100000223495_100000748023 [0,2,0,0,0,0|1,0,1]=4 13649 B11R0.154 CCCCCN(C)CC(C)CC 269982a_100000753921_100000210215 [0,2,0,0,0,0|1,0,1]=4 13650 B11R0.154 CCCCCN(C)CC(C)CC 270004a_100000223495_100000243153 [0,2,0,0,0,0|1,0,1]=4 13651 B11R0.154 CCCCCN(C)CC(O)CC 2230a_100000223495_100011218378 [0,2,0,0,0,0|0,0,2]=4 13652 B11R0.154 CCCCCN(C)CC(O)CC 269982a_100000223495_100011218378 [0,2,0,0,0,0|0,0,2]=4 13653 B11R0.154 CCCCCN(C)C[C@@H](C)CC 2230a_100000223495_100009816398 [0,2,0,0,0,0|1,0,1]=4 13654 B11R0.154 CCCCCN(C)C[C@@H](C)CC 269982a_100000223495_100009816398 [0,2,0,0,0,0|1,0,1]=4 13655 B11R0.154 CCCCNC(=O)CC(=O)CC 1458a_100000210414_100000182744 [0,2,0,0,0,0|0,0,1]=3 13656 B11R0.154 CCCCNC(=O)CC(=O)CO 1458a_100000210174_100000182744 [0,2,0,0,0,0|1,0,1]=4 13657 B11R0.154 CCCCNC(=O)CC(=O)OC 240690a_100000102301_100000211351 [0,2,0,0,0,0|1,0,1]=4 13658 B11R0.154 CCCCNC(C)CC(=O)OC 2230a_100000102301_100009817358 [0,2,0,0,0,0|1,0,0]=3 13659 B11R0.154 CCCCNC(C)CC(=O)OC 7a_106832991798_100009817358 [0,2,0,0,0,0|1,0,0]=3 13660 B11R0.154 CCCCNC(C)CC(C)CC 2230a_100000763565_100000210211 [0,2,0,0,0,0|1,0,1]=4 13661 B11R0.154 CCCCNC(C)CC(C)CC 270004a_100000102301_100011710205 [0,2,0,0,0,0|1,0,1]=4 13662 B11R0.154 CCCCOC(=O)CC(=O)CC 1458a_100000210414_100000211628 [0,2,0,0,0,0|0,0,1]=3 13663 B11R0.154 CCCCOC(=O)CC(=O)CO 1458a_100000210174_100000211628 [0,2,0,0,0,0|1,0,1]=4 13664 B11R0.154 CCCCOC(C)CC(=O)OC 34a_100000210227_100009817358 [0,2,0,0,0,0|1,0,0]=3 13665 B11R0.154 CCCCOC(C)CC(=O)OC 7a_100000210227_100009817358 [0,2,0,0,0,0|1,0,0]=3 13666 B11R0.154 CCCCSC(C)CC(=O)OC 62a_100000210211_100009817358 [0,2,0,0,0,0|1,0,0]=3 13667 B11R0.154 CCCCSC(C)CC(=O)OC 62a_100009817358_100000210210 [0,2,0,0,0,0|1,0,0]=3 13668 B11R0.154 CCCOCC(=O)CC(=O)CC 1458a_100000745993_100000747405 [0,2,0,0,0,0|0,0,1]=3 13669 B11R0.154 CCCOCC(=O)CC(=O)NC 1458a_100000745993_100000183359 [0,2,0,0,0,0|1,0,1]=4 13670 B11R0.154 CCCOCC(=O)CC(=O)OC 1458a_100000745993_100000747449 [0,2,0,0,0,0|1,0,1]=4 13671 B11R0.154 CCCOC[C@H](O)CC(=O)OC 34a_100000210258_100000754131 [0,2,0,0,0,0|1,0,0]=3 13672 B11R0.154 CCCSCC(=O)CC(=O)CC 1458a_100000217233_100000747405 [0,2,0,0,0,0|0,0,1]=3 13673 B11R0.154 CCCSCC(=O)CC(=O)NC 1458a_100000217233_100000183359 [0,2,0,0,0,0|1,0,1]=4 13674 B11R0.154 CCCSCC(=O)CC(=O)OC 1458a_100000217233_100000747449 [0,2,0,0,0,0|1,0,1]=4 13675 B11R0.154 CCCSCC(=O)CC(=O)OC 62a_100000210303_100000210525 [0,2,0,0,0,0|1,0,1]=4 13676 B11R0.154 CCCSCC(=O)CC(=O)OC 62a_100000210525_100000210303 [0,2,0,0,0,0|1,0,1]=4 13677 B11R0.154 CCCSC[C@H](O)CC(=O)OC 62a_100000210303_100000754131 [0,2,0,0,0,0|1,0,0]=3 13678 B11R0.154 CCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000210303 [0,2,0,0,0,0|1,0,0]=3 13679 B11R0.154 CCOCCC(=O)CC(=O)CC 1458a_100000749530_100000747405 [0,2,0,0,0,0|0,0,1]=3 13680 B11R0.154 CCOCCC(=O)CC(=O)NC 1458a_100000749530_100000183359 [0,2,0,0,0,0|1,0,1]=4 13681 B11R0.154 CCOCCC(=O)CC(=O)OC 1458a_100000211351_100011215890 [0,2,0,0,0,0|1,0,1]=4 13682 B11R0.154 CCOCCC(=O)CC(=O)OC 1458a_100000749530_100000747449 [0,2,0,0,0,0|1,0,1]=4 13683 B11R0.154 CCOCCN(C)CC(=O)NC 2230a_100000189611_100011215890 [0,2,0,0,0,0|2,0,0]=4 13684 B11R0.154 CCOCCN(C)CC(=O)OC 2230a_100000198492_100011215890 [0,2,0,0,0,0|2,0,0]=4 13685 B11R0.154 CCOCSC(C)CC(=O)OC 62a_100000739092_100009817358 [0,2,0,0,0,0|2,0,0]=4 13686 B11R0.154 CCOCSC(C)CC(=O)OC 62a_100009817358_100000739092 [0,2,0,0,0,0|2,0,0]=4 13687 B11R0.154 CCSCCC(=O)CC(=O)CC 1458a_100000230768_100000747405 [0,2,0,0,0,0|0,0,1]=3 13688 B11R0.154 CCSCCC(=O)CC(=O)NC 1458a_100000230768_100000183359 [0,2,0,0,0,0|1,0,1]=4 13689 B11R0.154 CCSCCC(=O)CC(=O)OC 1458a_100000211351_100000757381 [0,2,0,0,0,0|1,0,1]=4 13690 B11R0.154 CCSCCC(=O)CC(=O)OC 1458a_100000230768_100000747449 [0,2,0,0,0,0|1,0,1]=4 13691 B11R0.154 CCSCCN(C)CC(=O)NC 2230a_100000189611_100000757381 [0,2,0,0,0,0|2,0,0]=4 13692 B11R0.154 CCSCCN(C)CC(=O)OC 2230a_100000198492_100000757381 [0,2,0,0,0,0|2,0,0]=4 13693 B11R0.154 CNC(=O)CC(=O)CCCCO 1458a_100000695505_100000183359 [0,2,0,0,0,0|1,0,1]=4 13694 B11R0.154 CNC(=O)CC(=O)CCCOC 1458a_100000741012_100000183359 [0,2,0,0,0,0|1,0,1]=4 13695 B11R0.154 CNC(=O)CC(=O)CCCSC 1458a_100000173376_100000183359 [0,2,0,0,0,0|1,0,1]=4 13696 B11R0.154 CNC(=O)CN(C)CCCCF 2230a_100000189611_100000729493 [0,2,0,0,0,0|2,0,0]=4 13697 B11R0.154 CNC(=O)CN(C)CCCCO 2230a_100000189611_100000210776 [0,2,0,0,0,0|2,0,0]=4 13698 B11R0.154 CNC(=O)CN(C)CCCCO 2230a_100000717598_100000183359 [0,2,0,0,0,0|2,0,0]=4 13699 B11R0.154 CNC(=O)CN(C)CCCCO 269982a_100000717598_100000183359 [0,2,0,0,0,0|2,0,0]=4 13700 B11R0.154 CNC(=O)CN(C)CCCOC 2230a_100000189611_100000740836 [0,2,0,0,0,0|2,0,0]=4 13701 B11R0.154 CNC(=O)CN(C)CCCOC 2230a_100000224831_100000183359 [0,2,0,0,0,0|2,0,0]=4 13702 B11R0.154 CNC(=O)CN(C)CCCOC 269982a_100000224831_100000183359 [0,2,0,0,0,0|2,0,0]=4 13703 B11R0.154 COC(=O)CC(=O)CCCCF 1458a_100000211351_100000729493 [0,2,0,0,0,0|1,0,1]=4 13704 B11R0.154 COC(=O)CC(=O)CCCCO 1458a_100000211351_100000210776 [0,2,0,0,0,0|1,0,1]=4 13705 B11R0.154 COC(=O)CC(=O)CCCCO 1458a_100000695505_100000747449 [0,2,0,0,0,0|1,0,1]=4 13706 B11R0.154 COC(=O)CC(=O)CCCSC 1458a_100000173376_100000747449 [0,2,0,0,0,0|1,0,1]=4 13707 B11R0.154 COC(=O)CC(C)NCCCF 2230a_100015189416_100009817358 [0,2,0,0,0,0|2,0,0]=4 13708 B11R0.154 COC(=O)CC(C)NCCCF 34a_100015189416_100009817358 [0,2,0,0,0,0|2,0,0]=4 13709 B11R0.154 COC(=O)CC(C)NCCSC 2230a_100020590264_100009817358 [0,2,0,0,0,0|2,0,0]=4 13710 B11R0.154 COC(=O)CC(C)OCCCBr 34a_100011217188_100009817358 [0,2,0,0,0,0|2,0,0]=4 13711 B11R0.154 COC(=O)CC(C)OCCCCl 34a_100000230001_100009817358 [0,2,0,0,0,0|2,0,0]=4 13712 B11R0.154 COC(=O)CC(C)OCCCF 34a_100000759539_100009817358 [0,2,0,0,0,0|2,0,0]=4 13713 B11R0.154 COC(=O)CC(C)OCCCN 34a_100000182051_100009817358 [0,2,0,0,0,0|2,0,0]=4 13714 B11R0.154 COC(=O)CC(C)OCCSC 34a_100000230434_100009817358 [0,2,0,0,0,0|2,0,0]=4 13715 B11R0.154 COC(=O)CC(C)OCCSC 7a_100000230434_100009817358 [0,2,0,0,0,0|2,0,0]=4 13716 B11R0.154 COC(=O)CC(C)SCCCF 62a_100009817358_100011934791 [0,2,0,0,0,0|2,0,0]=4 13717 B11R0.154 COC(=O)CC(C)SCCCF 62a_100011934791_100009817358 [0,2,0,0,0,0|2,0,0]=4 13718 B11R0.154 COC(=O)CC(C)SCCCO 62a_100009817358_100011215043 [0,2,0,0,0,0|2,0,0]=4 13719 B11R0.154 COC(=O)CC(C)SCCCO 62a_100011215043_100009817358 [0,2,0,0,0,0|2,0,0]=4 13720 B11R0.154 COC(=O)CC(C)SCCSC 62a_100000212216_100009817358 [0,2,0,0,0,0|2,0,0]=4 13721 B11R0.154 COC(=O)CC(C)SCCSC 62a_100009817358_100000751147 [0,2,0,0,0,0|2,0,0]=4 13722 B11R0.154 COC(=O)CN(C)CCCCF 2230a_100000198492_100000729493 [0,2,0,0,0,0|2,0,0]=4 13723 B11R0.154 COC(=O)CN(C)CCCCO 2230a_100000198492_100000210776 [0,2,0,0,0,0|2,0,0]=4 13724 B11R0.154 COC(=O)CN(C)CCCCO 2230a_100000717598_100000747449 [0,2,0,0,0,0|2,0,0]=4 13725 B11R0.154 COC(=O)CN(C)CCCCO 269982a_100000717598_100000747449 [0,2,0,0,0,0|2,0,0]=4 13726 B11R0.154 COC(=O)C[C@@H](O)CNCCF 34a_100000724931_100000754131 [0,2,0,0,0,0|2,0,0]=4 13727 B11R0.154 COC(=O)C[C@@H](O)CNCCO 34a_100016990907_100000754131 [0,2,0,0,0,0|2,0,0]=4 13728 B11R0.154 COC(=O)C[C@@H](O)COCCBr 34a_100000211926_100000754131 [0,2,0,0,0,0|2,0,0]=4 13729 B11R0.154 COC(=O)C[C@@H](O)COCCN 34a_100000210304_100000754131 [0,2,0,0,0,0|2,0,0]=4 13730 B11R0.154 COC(=O)C[C@@H](O)CSCCF 62a_100000754131_100011217306 [0,2,0,0,0,0|2,0,0]=4 13731 B11R0.154 COC(=O)C[C@@H](O)CSCCF 62a_100011217306_100000754131 [0,2,0,0,0,0|2,0,0]=4 13732 B11R0.154 COC(=O)C[C@@H](O)CSCCO 62a_100000211926_100000754131 [0,2,0,0,0,0|2,0,0]=4 13733 B11R0.154 COC(=O)C[C@@H](O)CSCCO 62a_100000754131_100000211926 [0,2,0,0,0,0|2,0,0]=4 13734 B11R0.154 COC(=O)C[C@@H](O)CSCSC 62a_100000754131_100011218213 [0,2,0,0,0,0|2,0,0]=4 13735 B11R0.154 COC(=O)C[C@@H](O)CSCSC 62a_100011218213_100000754131 [0,2,0,0,0,0|2,0,0]=4 13736 B11R0.154 COCCCC(=O)CC(=O)OC 1458a_100000211351_100000740836 [0,2,0,0,0,0|1,0,1]=4 13737 B11R0.154 COCCCC(=O)CC(=O)OC 1458a_100000741012_100000747449 [0,2,0,0,0,0|1,0,1]=4 13738 B11R0.154 COCCCN(C)CC(=O)OC 2230a_100000198492_100000740836 [0,2,0,0,0,0|2,0,0]=4 13739 B11R0.154 COCCCN(C)CC(=O)OC 2230a_100000224831_100000747449 [0,2,0,0,0,0|2,0,0]=4 13740 B11R0.154 COCCCN(C)CC(=O)OC 269982a_100000224831_100000747449 [0,2,0,0,0,0|2,0,0]=4 13741 B11R0.154 COCCNC(C)CC(=O)OC 2230a_100000209980_100009817358 [0,2,0,0,0,0|2,0,0]=4 13742 B11R0.154 COCCOC(C)CC(=O)OC 34a_100000210237_100009817358 [0,2,0,0,0,0|2,0,0]=4 13743 B11R0.154 COCCSC(C)CC(=O)OC 62a_100000233755_100009817358 [0,2,0,0,0,0|2,0,0]=4 13744 B11R0.154 COCCSC(C)CC(=O)OC 62a_100009817358_100000233755 [0,2,0,0,0,0|2,0,0]=4 13745 B11R0.154 COCSC[C@H](O)CC(=O)OC 62a_100000754131_100000766300 [0,2,0,0,0,0|2,0,0]=4 13746 B11R0.154 COCSC[C@H](O)CC(=O)OC 62a_100000766300_100000754131 [0,2,0,0,0,0|2,0,0]=4 13747 B11R0.163 C=C(C)C(=O)NC(C)CCCC 11a_100000126638_100000185857 [0,2,0,0,0,0|1,0,1]=4 13748 B11R0.163 C=C(C)C(=O)NC(C)CCCC 1626a_100000126638_100000185857 [0,2,0,0,0,0|1,0,1]=4 13749 B11R0.163 CC(C)C(=O)CN(C)CCCO 2230a_100000213112_100000753385 [0,2,0,0,0,0|2,0,0]=4 13750 B11R0.163 CC(C)C(=O)CN(C)CCCO 269982a_100000213112_100000753385 [0,2,0,0,0,0|2,0,0]=4 13751 B11R0.163 CCCCC(=O)CC(=O)C(=O)C 1458a_100000210183_100011261029 [0,2,0,0,0,0|0,0,2]=4 13752 B11R0.163 CCCCC(=O)CC(=O)C(C)C 1458a_100000210183_100000753385 [0,2,0,0,0,0|0,0,1]=3 13753 B11R0.163 CCCCC(=O)CC(=O)N(C)C 1458a_100000210183_100000185267 [0,2,0,0,0,0|1,0,1]=4 13754 B11R0.163 CCCCC(C)NC(=O)C(C)C 11a_100000126638_100000210198 [0,2,0,0,0,0|1,0,0]=3 13755 B11R0.163 CCCCC(C)NC(=O)C(C)C 1626a_100000126638_100000210198 [0,2,0,0,0,0|1,0,0]=3 13756 B11R0.163 CCCCC(C)NC(=O)C(C)C 240690a_100000126638_100000210198 [0,2,0,0,0,0|1,0,0]=3 13757 B11R0.163 CCCCC(C)NC(=O)C(C)C 527a_100000126638_100000210198 [0,2,0,0,0,0|1,0,0]=3 13758 B11R0.163 CCCCC(C)NC(=O)C(C)F 11a_100000126638_100000062450 [0,2,0,0,0,0|1,0,0]=3 13759 B11R0.163 CCCCC(C)NC(=O)C(C)F 1626a_100000126638_100000062450 [0,2,0,0,0,0|1,0,0]=3 13760 B11R0.163 CCCCC(C)NC(=O)C(C)F 240690a_100000126638_100000062450 [0,2,0,0,0,0|1,0,0]=3 13761 B11R0.163 CCCCC(C)NC(=O)C(C)F 527a_100000126638_100000062450 [0,2,0,0,0,0|1,0,0]=3 13762 B11R0.163 CCCCC(C)NC(=O)C(F)F 11a_100000126638_100000210393 [0,2,0,0,0,0|2,0,0]=4 13763 B11R0.163 CCCCC(C)NC(=O)C(F)F 1626a_100000126638_100000210393 [0,2,0,0,0,0|2,0,0]=4 13764 B11R0.163 CCCCC(C)NC(=O)C(F)F 240690a_100000126638_100000210393 [0,2,0,0,0,0|2,0,0]=4 13765 B11R0.163 CCCCC(C)NC(=O)C(F)F 527a_100000126638_100000210393 [0,2,0,0,0,0|2,0,0]=4 13766 B11R0.163 CCCCC(C)NC(=O)C(O)O 240690a_100000126638_100000233687 [0,2,0,0,0,0|2,0,0]=4 13767 B11R0.163 CCCCC(C)NC(=O)N(C)C 2708a_100000126638_100102631434 [0,2,0,0,0,0|2,0,0]=4 13768 B11R0.163 CCCCC(C)NC(=O)[C@@H](C)O 240690a_100000126638_100000717761 [0,2,0,0,0,0|1,0,0]=3 13769 B11R0.163 CCCCC(C)NC(=O)[C@H](C)O 1626a_100000126638_217856618621 [0,2,0,0,0,0|1,0,0]=3 13770 B11R0.163 CCCCC(C)NC(=O)[C@H](C)O 240690a_100000126638_217856618621 [0,2,0,0,0,0|1,0,0]=3 13771 B11R0.163 CCCCN(C)CC(=O)C(=O)C 269982a_100000207549_100011261029 [0,2,0,0,0,0|1,0,1]=4 13772 B11R0.163 CCCCN(C)CC(=O)C(C)C 2230a_100000207549_100000753385 [0,2,0,0,0,0|1,0,0]=3 13773 B11R0.163 CCCCN(C)CC(=O)C(C)C 269982a_100000207549_100000753385 [0,2,0,0,0,0|1,0,0]=3 13774 B11R0.163 CCCCN(C)CC(=O)N(C)C 2230a_100000185065_100000210211 [0,2,0,0,0,0|2,0,0]=4 13775 B11R0.163 CCCCN(C)CC(=O)N(C)C 2230a_100000207549_100000185267 [0,2,0,0,0,0|2,0,0]=4 13776 B11R0.163 CCCCN(C)CC(=O)N(C)C 269982a_100000207549_100000185267 [0,2,0,0,0,0|2,0,0]=4 13777 B11R0.163 CCCNC(=O)CC(=O)C(C)C 1458a_100000210198_100000183358 [0,2,0,0,0,0|1,0,1]=4 13778 B11R0.163 CCCNC(=O)CC(=O)C(C)F 1458a_100000062450_100000183358 [0,2,0,0,0,0|1,0,1]=4 13779 B11R0.163 CCCNC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000183358 [0,2,0,0,0,0|1,0,1]=4 13780 B11R0.163 CCCNC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000183358 [0,2,0,0,0,0|1,0,1]=4 13781 B11R0.163 CCCOC(=O)CC(=O)C(C)C 1458a_100000210198_200011215008 [0,2,0,0,0,0|1,0,1]=4 13782 B11R0.163 CCCOC(=O)CC(=O)C(C)F 1458a_100000062450_200011215008 [0,2,0,0,0,0|1,0,1]=4 13783 B11R0.163 CCCOC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_200011215008 [0,2,0,0,0,0|1,0,1]=4 13784 B11R0.163 CCCOC(=O)CC(=O)[C@H](C)O 1458a_217856618621_200011215008 [0,2,0,0,0,0|1,0,1]=4 13785 B11R0.163 CCOCC(=O)CC(=O)C(C)C 1458a_100000211967_100000753385 [0,2,0,0,0,0|1,0,1]=4 13786 B11R0.163 CCSCC(=O)CC(=O)C(C)C 1458a_100000230394_100000753385 [0,2,0,0,0,0|1,0,1]=4 13787 B11R0.163 COCCC(=O)CC(=O)C(C)C 1458a_100000749529_100000753385 [0,2,0,0,0,0|1,0,1]=4 13788 B11R0.163 COCCN(C)CC(=O)C(C)C 2230a_100000743101_100000753385 [0,2,0,0,0,0|2,0,0]=4 13789 B11R0.163 COCCN(C)CC(=O)C(C)C 269982a_100000743101_100000753385 [0,2,0,0,0,0|2,0,0]=4 13790 B11R0.163 CSCCC(=O)CC(=O)C(C)C 1458a_100000174002_100000753385 [0,2,0,0,0,0|1,0,1]=4 13791 B11R0.163 CSCCN(C)CC(=O)C(C)C 2230a_100000686725_100000753385 [0,2,0,0,0,0|2,0,0]=4 13792 B11R0.163 CSCCN(C)CC(=O)C(C)C 269982a_100000686725_100000753385 [0,2,0,0,0,0|2,0,0]=4 13793 B11R0.166 C#CC(=O)CC(CC)CCCC 1458a_100000211873_100000211942 [0,2,0,0,0,0|0,0,2]=4 13794 B11R0.166 C=CC(=O)CC(CC)CCCC 1458a_100000185746_100000211942 [0,2,0,0,0,0|0,0,2]=4 13795 B11R0.166 CCC(=O)CN(CC)CCOC 269982a_100000731262_100000747405 [0,2,0,0,0,0|2,0,0]=4 13796 B11R0.166 CCC(=O)N[C@H](CO)CCSC 240690a_100011827619_100000210414 [0,2,0,0,0,0|2,0,0]=4 13797 B11R0.166 CCC(=O)N[C@H](CO)CCSC 527a_100011827619_100000210414 [0,2,0,0,0,0|2,0,0]=4 13798 B11R0.166 CCCCC(CC)CC(=O)CC 1458a_100000210414_100000211942 [0,2,0,0,0,0|0,0,0]=2 13799 B11R0.166 CCCCC(CC)CC(=O)CO 1458a_100000210174_100000211942 [0,2,0,0,0,0|1,0,0]=3 13800 B11R0.166 CCCCC(CC)CN(C)CC 2230a_100000225621_100000211942 [0,2,0,0,0,0|2,0,0]=4 13801 B11R0.166 CCCCC(CC)CN(C)CC 269982a_100000225621_100000211942 [0,2,0,0,0,0|2,0,0]=4 13802 B11R0.166 CCCCN(CC)CC(=O)CC 269982a_100000207695_100000747405 [0,2,0,0,0,0|1,0,0]=3 13803 B11R0.166 CCCCN(CC)CC(=O)NC 2230a_100000207695_100000183359 [0,2,0,0,0,0|2,0,0]=4 13804 B11R0.166 CCCCN(CC)CC(=O)NC 269982a_100000207695_100000183359 [0,2,0,0,0,0|2,0,0]=4 13805 B11R0.166 CCCCN(CC)CC(=O)OC 2230a_100000207695_100000747449 [0,2,0,0,0,0|2,0,0]=4 13806 B11R0.166 CCCCN(CC)CC(=O)OC 269982a_100000207695_100000747449 [0,2,0,0,0,0|2,0,0]=4 13807 B11R0.166 CCCC[C@@H](CO)NC(=O)CC 240690a_100011934283_100000210414 [0,2,0,0,0,0|1,0,0]=3 13808 B11R0.166 CCCC[C@@H](CO)NC(=O)CC 527a_100011934283_100000210414 [0,2,0,0,0,0|1,0,0]=3 13809 B11R0.166 CCCC[C@@H](CO)NC(=O)CO 240690a_100011934283_100000210174 [0,2,0,0,0,0|2,0,0]=4 13810 B11R0.166 CCCC[C@@H](CO)NC(=O)CO 527a_100011934283_100000210174 [0,2,0,0,0,0|2,0,0]=4 13811 B11R0.166 CCCC[C@@H](CO)NC(=O)NC 2708a_100102657272_100011934283 [0,2,0,0,0,0|2,0,0]=4 13812 B11R0.166 CCCC[C@@H](CO)NC(=O)NC 273464a_100011934283_100102657272 [0,2,0,0,0,0|2,0,0]=4 13813 B11R0.166 CCCC[C@@H](CO)NC(=O)NC 273464a_100102657272_100011934283 [0,2,0,0,0,0|2,0,0]=4 13814 B11R0.166 CCCC[C@@H](CO)NC(=O)NC 512a_100011934283_100102657272 [0,2,0,0,0,0|2,0,0]=4 13815 B11R0.166 CCCC[C@@H](CO)NC(=O)NC 512a_106832991638_100011934283 [0,2,0,0,0,0|2,0,0]=4 13816 B11R0.166 CCCO[C@@H](CC)CC(=O)OC 7a_200015357724_100000210303 [0,2,0,0,0,0|2,0,0]=4 13817 B11R0.166 CCCO[C@@H](CCl)CC(=O)OC 7a_100000754131_100000210303 [0,2,0,0,0,0|2,0,0]=4 13818 B11R0.246 CCCCS(=O)(=O)NC(=O)CC 2740a_100000178431_100000210414 [0,2,0,0,0,0|2,0,0]=4 13819 B11R0.246 CCCC[Si](C)(C)CC(=O)CC 1458a_100000210414_200000073895 [0,2,0,0,0,0|0,1,0]=3 13820 B11R0.246 CCCC[Si](C)(C)CC(=O)CO 1458a_100000210174_200000073895 [0,2,0,0,0,0|1,1,0]=4 13821 B11R0.246 CCCOC(C)(C)CC(=O)OC 7a_100015205050_100000210303 [0,2,0,0,0,0|2,0,0]=4 13822 B11R0.22 CCN(CC)CCCCC(C)C 2230a_100000724800_100011216152 [0,2,0,0,0,0|2,0,0]=4 13823 B11R0.22 CCN(CC)CCCCC(C)C 269956a_100000042499_100011216152 [0,2,0,0,0,0|2,0,0]=4 13824 B11R0.22 CCN(CC)CCCCC(C)C 269982a_100000724800_100011216152 [0,2,0,0,0,0|2,0,0]=4 13825 B11R0.76 CCCCCCC(CC)N(C)C 270004a_100102631434_100011219640 [0,2,0,0,0,0|1,0,1]=4 13826 B11R0.76 CCCCCCN(CC)C(C)C 2230a_100000223864_100000210314 [0,2,0,0,0,0|2,0,0]=4 13827 B11R0.76 CCCCCCN(CC)C(C)C 269982a_100000223864_100000210757 [0,2,0,0,0,0|2,0,0]=4 13828 B11R0.76 CCCCCNC(CC)C(=O)N 2230a_100000209983_100000750255 [0,2,0,0,0,0|1,0,1]=4 13829 B11R0.76 CCCCCNC(CC)C(=O)N 2230a_100000733705_100000210326 [0,2,0,0,0,0|1,0,1]=4 13830 B11R0.76 CCCCCNC(CC)C(=O)N 34a_100000733705_100000718602 [0,2,0,0,0,0|1,0,1]=4 13831 B11R0.76 CCCCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210326 [0,2,0,0,0,0|1,0,1]=4 13832 B11R0.76 CCCCCOC(CC)C(=O)N 34a_100000210253_100000750255 [0,2,0,0,0,0|1,0,1]=4 13833 B11R0.76 CCCCCOC(CC)C(=O)N 7a_100000210253_100000750255 [0,2,0,0,0,0|1,0,1]=4 13834 B11R0.76 CCCCCSC(CC)C(=O)N 62a_100000210326_100000750255 [0,2,0,0,0,0|1,0,1]=4 13835 B11R0.76 CCCCCSC(CC)C(=O)N 62a_100000750255_100000210326 [0,2,0,0,0,0|1,0,1]=4 13836 B11R0.124 C#CC(CC)OCCCCCC 34a_100000758843_100000210314 [0,2,0,0,0,0|1,0,1]=4 13837 B11R0.124 C#CC(CC)OCCCCCC 7a_100000758843_100000210314 [0,2,0,0,0,0|1,0,1]=4 13838 B11R0.124 C=CC(=NNCCCCC)CC 4a_100000694160_100000747743 [0,2,0,0,0,0|2,0,0]=4 13839 B11R0.124 C=CC(CC)OCCCCCC 34a_100000766422_100000210314 [0,2,0,0,0,0|1,0,1]=4 13840 B11R0.124 C=CC(CC)OCCCCCC 7a_100000766422_100000210314 [0,2,0,0,0,0|1,0,1]=4 13841 B11R0.124 CCCCCCCC(CC)NC 270004a_106832991635_200011217162 [0,2,0,0,0,0|1,0,1]=4 13842 B11R0.124 CCCCCCCC(CC)OC 34a_200011217053_200000210301 [0,2,0,0,0,0|0,0,2]=4 13843 B11R0.124 CCCCCCCC(CC)OC 7a_200011217053_200000210301 [0,2,0,0,0,0|0,0,2]=4 13844 B11R0.124 CCCCCCCC(CC)O[13CH3] 34a_200011217053_200025704644 [0,2,0,0,0,0|0,0,2]=4 13845 B11R0.124 CCCCCCCC(CC)O[13CH3] 7a_200011217053_200025704644 [0,2,0,0,0,0|0,0,2]=4 13846 B11R0.124 CCCCCCCN(CC)CC 2230a_100000228213_100000210202 [0,2,0,0,0,0|2,0,0]=4 13847 B11R0.124 CCCCCCCN(CC)CC 2230a_100000724800_100000210681 [0,2,0,0,0,0|2,0,0]=4 13848 B11R0.124 CCCCCCCN(CC)CC 269956a_100000042499_100000210614 [0,2,0,0,0,0|2,0,0]=4 13849 B11R0.124 CCCCCCCN(CC)CC 269982a_100000228213_100000204670 [0,2,0,0,0,0|2,0,0]=4 13850 B11R0.124 CCCCCCCN(CC)CC 269982a_100000724800_100000210681 [0,2,0,0,0,0|2,0,0]=4 13851 B11R0.124 CCCCCCCN(CC)CF 269982a_100000228213_100015361967 [0,2,0,0,0,0|2,0,0]=4 13852 B11R0.124 CCCCCCNC(CC)CC 2230a_100000199018_100000210314 [0,2,0,0,0,0|1,0,1]=4 13853 B11R0.124 CCCCCCNC(CC)CC 270004a_100000210581_100000210860 [0,2,0,0,0,0|1,0,1]=4 13854 B11R0.124 CCCCCCN[C@@H](CC)CO 2230a_100000709445_100000210314 [0,2,0,0,0,0|0,0,2]=4 13855 B11R0.124 CCCCCCOC(CC)CC 7a_100000210259_100000210505 [0,2,0,0,0,0|1,0,1]=4 13856 B11R0.124 CCCCCCOC(CC)CC 7a_100000688536_100000210314 [0,2,0,0,0,0|1,0,1]=4 13857 B11R0.124 CCCCCCSC(CC)CC 62a_100000210314_100000210505 [0,2,0,0,0,0|1,0,1]=4 13858 B11R0.124 CCCCCCSC(CC)CC 62a_100000210505_100000210757 [0,2,0,0,0,0|1,0,1]=4 13859 B11R0.124 CCCCCNCC(CC)CC 2230a_100000209983_100011215472 [0,2,0,0,0,0|1,0,1]=4 13860 B11R0.124 CCCCCNCC(CC)CC 2230a_100102946423_100000210326 [0,2,0,0,0,0|1,0,1]=4 13861 B11R0.124 CCCCCNCC(CC)CC 269862a_100000209983_100000211137 [0,2,0,0,0,0|1,0,1]=4 13862 B11R0.124 CCCCCNCC(CC)CC 270004a_100000209983_100000211137 [0,2,0,0,0,0|1,0,1]=4 13863 B11R0.124 CCCCCNN=C(CC)CC 4a_100000694160_100000210860 [0,2,0,0,0,0|2,0,0]=4 13864 B11R0.124 CCCCCNN=C(CC)CO 4a_100000694160_100000725409 [0,2,0,0,0,0|1,0,1]=4 13865 B11R0.124 CCCCCOCC(CC)CC 34a_100000210253_100011215472 [0,2,0,0,0,0|1,0,1]=4 13866 B11R0.124 CCCCCOCC(CC)CC 7a_100000210253_100011215472 [0,2,0,0,0,0|1,0,1]=4 13867 B11R0.124 CCCCCOCC(CC)CC 7a_100000703878_100000210326 [0,2,0,0,0,0|1,0,1]=4 13868 B11R0.124 CCCCCOCC(CC)OC 34a_100011934954_100000718602 [0,2,0,0,0,0|0,0,2]=4 13869 B11R0.124 CCCCCOCC(CC)OC 7a_100011934954_100000210326 [0,2,0,0,0,0|0,0,2]=4 13870 B11R0.124 CCCCCOCN(CC)CC 7a_200015374951_100000210326 [0,2,0,0,0,0|2,0,0]=4 13871 B11R0.124 CCCCCSCC(CC)CC 62a_100000210326_100011215472 [0,2,0,0,0,0|1,0,1]=4 13872 B11R0.124 CCCCCSCC(CC)CC 62a_100011215472_100000210326 [0,2,0,0,0,0|1,0,1]=4 13873 B11R0.124 CCCCNCCN(CC)CC 2230a_100000102301_100000700428 [0,2,0,0,0,0|2,0,0]=4 13874 B11R0.124 CCCCNCCN(CC)CC 2230a_100015382049_100000210211 [0,2,0,0,0,0|2,0,0]=4 13875 B11R0.124 CCCCNCCN(CC)CC 7a_106832991798_100000700428 [0,2,0,0,0,0|2,0,0]=4 13876 B11R0.124 CCCCOCCN(CC)CC 2230a_100000724800_100000743108 [0,2,0,0,0,0|2,0,0]=4 13877 B11R0.124 CCCCOCCN(CC)CC 269956a_100000042499_100000743108 [0,2,0,0,0,0|2,0,0]=4 13878 B11R0.124 CCCCOCCN(CC)CC 269982a_100000724800_100000743108 [0,2,0,0,0,0|2,0,0]=4 13879 B11R0.124 CCCCOCCN(CC)CC 7a_100000210227_100000700428 [0,2,0,0,0,0|2,0,0]=4 13880 B11R0.124 CCCCOCCN(CC)CC 7a_100016990331_100000210211 [0,2,0,0,0,0|2,0,0]=4 13881 B11R0.124 CCCCSCCN(CC)CC 62a_100000210211_100000700428 [0,2,0,0,0,0|2,0,0]=4 13882 B11R0.124 CCCOCCCN(CC)CC 7a_100000212844_100000210303 [0,2,0,0,0,0|2,0,0]=4 13883 B11R0.124 CCCSCCCN(CC)CC 62a_100000210303_100000709985 [0,2,0,0,0,0|2,0,0]=4 13884 B11R0.124 CCN(CC)CCCCCCF 2230a_100000724800_100015922095 [0,2,0,0,0,0|2,0,0]=4 13885 B11R0.124 CCN(CC)CCCCCCF 269956a_100000042499_100015922095 [0,2,0,0,0,0|2,0,0]=4 13886 B11R0.124 CCN(CC)CCCCCCF 269982a_100000724800_100015922095 [0,2,0,0,0,0|2,0,0]=4 13887 B11R0.124 CCN(CC)CCCCCCO 2230a_100000724800_100000766143 [0,2,0,0,0,0|2,0,0]=4 13888 B11R0.124 CCN(CC)CCCCCCO 269956a_100000042499_100000766143 [0,2,0,0,0,0|2,0,0]=4 13889 B11R0.124 CCN(CC)CCCCCCO 269982a_100000724800_100000766143 [0,2,0,0,0,0|2,0,0]=4 13890 B11R0.124 CCN(CC)CCCCCNC 2230a_100011491781_200000210301 [0,2,0,0,0,0|2,0,0]=4 13891 B11R0.124 CCN(CC)CCCCCN[13CH3] 2230a_100011491781_200025704644 [0,2,0,0,0,0|2,0,0]=4 13892 B11R0.124 CCN(CC)CCCCCOC 7a_200011629222_200000210301 [0,2,0,0,0,0|2,0,0]=4 13893 B11R0.124 CCN(CC)CCCCCO[13CH3] 7a_200011629222_200025704644 [0,2,0,0,0,0|2,0,0]=4 13894 B11R0.124 CCN(CCCCOCF)N=O 34a_200000035056_100015361967 [0,2,0,0,0,0|2,0,0]=4 13895 B11R0.124 CCNCCCCN(CC)CC 2230a_100000743895_100000210202 [0,2,0,0,0,0|2,0,0]=4 13896 B11R0.124 CCOCCCCN(CC)CC 7a_100011305530_100000210202 [0,2,0,0,0,0|2,0,0]=4 13897 B11R0.124 CCOCCCCN(CC)N=O 34a_200000035056_100000210202 [0,2,0,0,0,0|1,0,0]=3 13898 B11R0.157 CCCCCC(C)N(CC)CC 2230a_100000724800_200011218191 [0,2,0,0,0,0|2,0,0]=4 13899 B11R0.157 CCCCCC(C)N(CC)CC 269956a_100000042499_200011218191 [0,2,0,0,0,0|2,0,0]=4 13900 B11R0.157 CCCCCC(C)N(CC)CC 269982a_100000724800_200011218191 [0,2,0,0,0,0|2,0,0]=4 13901 B11R0.157 CCCCCC(C)N(CC)CC 270004a_100000724800_100000211708 [0,2,0,0,0,0|2,0,0]=4 13902 B11R0.200 C#CC(CC)OCCC(=O)NC 34a_100000758843_100012179268 [0,2,0,0,0,0|2,0,0]=4 13903 B11R0.200 C#CC(CC)OCCC(=O)NC 7a_100000758843_100000737683 [0,2,0,0,0,0|2,0,0]=4 13904 B11R0.200 C#CC(CC)OCCC(=O)OC 34a_100000758843_100000742370 [0,2,0,0,0,0|2,0,0]=4 13905 B11R0.200 C#CC(CC)OCCC(=O)OC 7a_100000758843_100000204255 [0,2,0,0,0,0|2,0,0]=4 13906 B11R0.200 C=CC(CC)OCCC(=O)NC 34a_100000766422_100012179268 [0,2,0,0,0,0|2,0,0]=4 13907 B11R0.200 C=CC(CC)OCCC(=O)NC 7a_100000766422_100000737683 [0,2,0,0,0,0|2,0,0]=4 13908 B11R0.200 C=CC(CC)OCCC(=O)OC 34a_100000766422_100000742370 [0,2,0,0,0,0|2,0,0]=4 13909 B11R0.200 C=CC(CC)OCCC(=O)OC 7a_100000766422_100000204255 [0,2,0,0,0,0|2,0,0]=4 13910 B11R0.200 CCC(=O)CCCC(OC)OC 1458a_100000210414_100000069011 [0,2,0,0,0,0|1,0,0]=3 13911 B11R0.200 CCC(=O)CCCN(CC)CC 1458a_100000210414_100000709985 [0,2,0,0,0,0|1,0,0]=3 13912 B11R0.200 CCC(=O)CCCN(CC)CC 1458a_100076194134_100000210202 [0,2,0,0,0,0|1,0,0]=3 13913 B11R0.200 CCC(=O)COCC(CC)CC 34a_100000725409_100011215472 [0,2,0,0,0,0|1,0,0]=3 13914 B11R0.200 CCC(=O)COCC(CC)CC 7a_100000703878_100000747405 [0,2,0,0,0,0|1,0,0]=3 13915 B11R0.200 CCC(=O)COCC(CC)OC 7a_100011934954_100000747405 [0,2,0,0,0,0|1,0,0]=3 13916 B11R0.200 CCC(=O)COCC(OC)OC 34a_100000725409_100000211822 [0,2,0,0,0,0|2,0,0]=4 13917 B11R0.200 CCC(=O)COCN(CC)CC 7a_200015374951_100000747405 [0,2,0,0,0,0|2,0,0]=4 13918 B11R0.200 CCC(=O)CSCC(CC)CC 62a_100000747405_100011215472 [0,2,0,0,0,0|1,0,0]=3 13919 B11R0.200 CCC(=O)CSCC(CC)CC 62a_100011215472_100000747405 [0,2,0,0,0,0|1,0,0]=3 13920 B11R0.200 CCC(=O)CSCC(OC)OC 62a_100000747405_100000751394 [0,2,0,0,0,0|2,0,0]=4 13921 B11R0.200 CCC(=O)CSCC(OC)OC 62a_100000751394_100000747405 [0,2,0,0,0,0|2,0,0]=4 13922 B11R0.200 CCC(=O)NCCN(CC)CC 1626a_100015382049_100000210414 [0,2,0,0,0,0|2,0,0]=4 13923 B11R0.200 CCC(=O)NCCN(CC)CC 240690a_100015382049_100000210414 [0,2,0,0,0,0|2,0,0]=4 13924 B11R0.200 CCC(=O)NCCN(CC)CC 527a_100015382049_100000210414 [0,2,0,0,0,0|2,0,0]=4 13925 B11R0.200 CCC(CC)CNCC(=O)NC 2230a_100000693194_100011215472 [0,2,0,0,0,0|2,0,0]=4 13926 B11R0.200 CCC(CC)CNCC(=O)NC 2230a_100102946423_100000183359 [0,2,0,0,0,0|2,0,0]=4 13927 B11R0.200 CCC(CC)CNCC(=O)NC 269862a_100000693194_100000211137 [0,2,0,0,0,0|2,0,0]=4 13928 B11R0.200 CCC(CC)CNCC(=O)NC 270004a_100000693194_100000211137 [0,2,0,0,0,0|2,0,0]=4 13929 B11R0.200 CCC(CC)CNCC(=O)OC 2230a_100102946423_100000747449 [0,2,0,0,0,0|2,0,0]=4 13930 B11R0.200 CCC(CC)COCC(=O)NC 34a_100000750040_100011215472 [0,2,0,0,0,0|2,0,0]=4 13931 B11R0.200 CCC(CC)COCC(=O)NC 7a_100000703878_100000183359 [0,2,0,0,0,0|2,0,0]=4 13932 B11R0.200 CCC(CC)COCC(=O)OC 7a_100000703878_100000747449 [0,2,0,0,0,0|2,0,0]=4 13933 B11R0.200 CCC(CC)CSCC(=O)NC 62a_100000183359_100011215472 [0,2,0,0,0,0|2,0,0]=4 13934 B11R0.200 CCC(CC)CSCC(=O)NC 62a_100011215472_100000183359 [0,2,0,0,0,0|2,0,0]=4 13935 B11R0.200 CCC(CC)CSCC(=O)OC 62a_100000747449_100011215472 [0,2,0,0,0,0|2,0,0]=4 13936 B11R0.200 CCC(CC)CSCC(=O)OC 62a_100011215472_100000747449 [0,2,0,0,0,0|2,0,0]=4 13937 B11R0.200 CCC(CC)NCCC(=O)NC 2230a_100000199018_100000737683 [0,2,0,0,0,0|2,0,0]=4 13938 B11R0.200 CCC(CC)NCCC(=O)NC 270004a_100000738227_100000210860 [0,2,0,0,0,0|2,0,0]=4 13939 B11R0.200 CCC(CC)NCCC(=O)OC 2230a_100000199018_100000204255 [0,2,0,0,0,0|2,0,0]=4 13940 B11R0.200 CCC(CC)OCCC(=O)NC 7a_100000688536_100000737683 [0,2,0,0,0,0|2,0,0]=4 13941 B11R0.200 CCC(CC)OCCC(=O)OC 7a_100000688536_100000204255 [0,2,0,0,0,0|2,0,0]=4 13942 B11R0.200 CCC(CC)SCCC(=O)NC 62a_100000210505_100000737683 [0,2,0,0,0,0|2,0,0]=4 13943 B11R0.200 CCC(CC)SCCC(=O)NC 62a_100000737683_100000210505 [0,2,0,0,0,0|2,0,0]=4 13944 B11R0.200 CCC(CC)SCCC(=O)OC 62a_100000204255_100000210505 [0,2,0,0,0,0|2,0,0]=4 13945 B11R0.200 CCC(CC)SCCC(=O)OC 62a_100000210505_100000204255 [0,2,0,0,0,0|2,0,0]=4 13946 B11R0.200 CCC(COCC(=O)NC)OC 34a_100011934954_100000183359 [0,2,0,0,0,0|2,0,0]=4 13947 B11R0.200 CCC(COCC(=O)NC)OC 7a_100011934954_100000183359 [0,2,0,0,0,0|2,0,0]=4 13948 B11R0.200 CCC(COCC(=O)OC)OC 34a_100011934954_100000747449 [0,2,0,0,0,0|2,0,0]=4 13949 B11R0.200 CCC(COCC(=O)OC)OC 7a_100011934954_100000747449 [0,2,0,0,0,0|2,0,0]=4 13950 B11R0.200 CCN(CC)CCCC(=O)CF 1458a_100076194134_100015361967 [0,2,0,0,0,0|2,0,0]=4 13951 B11R0.200 CCN(CC)CCCC(=O)CO 1458a_100000210174_100000709985 [0,2,0,0,0,0|2,0,0]=4 13952 B11R0.200 CCN(CC)CCCC(=O)NC 11a_106832991635_100076194134 [0,2,0,0,0,0|2,0,0]=4 13953 B11R0.200 CCN(CC)CCCC(=O)NC 2230a_100000724800_100000741757 [0,2,0,0,0,0|2,0,0]=4 13954 B11R0.200 CCN(CC)CCCC(=O)NC 240690a_100102657272_100076194134 [0,2,0,0,0,0|2,0,0]=4 13955 B11R0.200 CCN(CC)CCCC(=O)NC 269956a_100000042499_100000741757 [0,2,0,0,0,0|2,0,0]=4 13956 B11R0.200 CCN(CC)CCCC(=O)NC 269982a_100000724800_100000741757 [0,2,0,0,0,0|2,0,0]=4 13957 B11R0.200 CCN(CC)CCCC(=O)OC 2230a_100000724800_100011218270 [0,2,0,0,0,0|2,0,0]=4 13958 B11R0.200 CCN(CC)CCCC(=O)OC 269956a_100000042499_100011218270 [0,2,0,0,0,0|2,0,0]=4 13959 B11R0.200 CCN(CC)CCCC(=O)OC 269982a_100000724800_100011218270 [0,2,0,0,0,0|2,0,0]=4 13960 B11R0.200 CC[C@@H](CO)NCCC(=O)NC 2230a_100000709445_100000737683 [0,2,0,0,0,0|2,0,0]=4 13961 B11R0.200 CC[C@@H](CO)NCCC(=O)OC 2230a_100000709445_100000204255 [0,2,0,0,0,0|2,0,0]=4 13962 B11R0.200 COC(CCCC(=O)CO)OC 1458a_100000210174_100000069011 [0,2,0,0,0,0|2,0,0]=4 13963 B11R0.29 C=C(C)C(=O)CCCCC(=O)C 1458a_100000185857_100000735457 [0,2,0,0,0,0|0,0,2]=4 13964 B11R0.29 C=C(C)C(=O)CCCCC(C)C 1458a_100000185857_100011216152 [0,2,0,0,0,0|0,0,1]=3 13965 B11R0.29 C=C(C)C(=O)NCCCC(C)C 11a_200000737386_100000185857 [0,2,0,0,0,0|1,0,1]=4 13966 B11R0.29 C=C(C)C(=O)NCCCC(C)C 1626a_200000737386_100000185857 [0,2,0,0,0,0|1,0,1]=4 13967 B11R0.29 C=C(C)CCOCC(=O)C(C)C 34a_100000764851_100000753385 [0,2,0,0,0,0|1,0,1]=4 13968 B11R0.29 C=C(C)CCSCC(=O)C(C)C 62a_100000730704_100000753385 [0,2,0,0,0,0|1,0,1]=4 13969 B11R0.29 C=C(C)CCSCC(=O)C(C)C 62a_100000753385_100000730704 [0,2,0,0,0,0|1,0,1]=4 13970 B11R0.29 CC(=O)C(=O)COCCC(C)Br 34a_100009893172_100011261029 [0,2,0,0,0,0|1,0,1]=4 13971 B11R0.29 CC(=O)C(=O)COCCC(C)C 34a_100000210254_100011261029 [0,2,0,0,0,0|1,0,1]=4 13972 B11R0.29 CC(=O)C(=O)COCC[C@@H](C)N 34a_100000706166_100011261029 [0,2,0,0,0,0|1,0,1]=4 13973 B11R0.29 CC(=O)C(=O)CSCCC(C)C 62a_100000210312_100011261029 [0,2,0,0,0,0|1,0,1]=4 13974 B11R0.29 CC(=O)C(=O)CSCCC(C)C 62a_100011261029_100000210312 [0,2,0,0,0,0|1,0,1]=4 13975 B11R0.29 CC(=O)C(=O)CSCCC(C)O 62a_100011261029_100012276601 [0,2,0,0,0,0|1,0,1]=4 13976 B11R0.29 CC(=O)C(=O)CSCCC(C)O 62a_100012276601_100011261029 [0,2,0,0,0,0|1,0,1]=4 13977 B11R0.29 CC(=O)CCCCC(=O)C(C)C 1458a_100000210198_100000735457 [0,2,0,0,0,0|0,0,1]=3 13978 B11R0.29 CC(=O)CCCCC(=O)C(C)F 1458a_100000062450_100000735457 [0,2,0,0,0,0|0,0,1]=3 13979 B11R0.29 CC(=O)CCCCC(=O)C(O)O 1458a_100000233687_100000735457 [0,2,0,0,0,0|1,0,1]=4 13980 B11R0.29 CC(=O)CCCCC(=O)N(C)C 1458a_100000070787_100000752486 [0,2,0,0,0,0|1,0,1]=4 13981 B11R0.29 CC(=O)CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000735457 [0,2,0,0,0,0|0,0,1]=3 13982 B11R0.29 CC(=O)CCCCC(=O)[C@H](C)O 1458a_217856618621_100000735457 [0,2,0,0,0,0|0,0,1]=3 13983 B11R0.29 CC(=O)CCOCC(=O)C(C)C 34a_100000759926_100000753385 [0,2,0,0,0,0|1,0,1]=4 13984 B11R0.29 CC(=O)CCOCC(=O)C(C)C 7a_100000759926_100000753385 [0,2,0,0,0,0|1,0,1]=4 13985 B11R0.29 CC(=O)CCSCC(=O)C(C)C 62a_100000053229_100000753385 [0,2,0,0,0,0|1,0,1]=4 13986 B11R0.29 CC(=O)CCSCC(=O)C(C)C 62a_100000753385_100000053229 [0,2,0,0,0,0|1,0,1]=4 13987 B11R0.29 CC(=O)NCCCC(=O)C(C)C 1458a_100000194741_100000210206 [0,2,0,0,0,0|1,0,1]=4 13988 B11R0.29 CC(=O)OCCCC(=O)C(C)C 1458a_100000210198_100000042594 [0,2,0,0,0,0|1,0,1]=4 13989 B11R0.29 CC(=O)OCCCC(=O)C(C)F 1458a_100000062450_100000042594 [0,2,0,0,0,0|1,0,1]=4 13990 B11R0.29 CC(=O)OCCCC(=O)[C@@H](C)O 1458a_100000717761_100000042594 [0,2,0,0,0,0|1,0,1]=4 13991 B11R0.29 CC(=O)OCCCC(=O)[C@H](C)O 1458a_217856618621_100000042594 [0,2,0,0,0,0|1,0,1]=4 13992 B11R0.29 CC(=O)SCCCC(=O)C(C)C 1458a_100000210198_100000038929 [0,2,0,0,0,0|1,0,1]=4 13993 B11R0.29 CC(=O)SCCCC(=O)C(C)F 1458a_100000062450_100000038929 [0,2,0,0,0,0|1,0,1]=4 13994 B11R0.29 CC(=O)SCCCC(=O)[C@@H](C)O 1458a_100000717761_100000038929 [0,2,0,0,0,0|1,0,1]=4 13995 B11R0.29 CC(=O)SCCCC(=O)[C@H](C)O 1458a_217856618621_100000038929 [0,2,0,0,0,0|1,0,1]=4 13996 B11R0.29 CC(=S)OCCCC(=O)C(C)C 1458a_100000210198_200135323944 [0,2,0,0,0,0|1,0,1]=4 13997 B11R0.29 CC(=S)OCCCC(=O)C(C)F 1458a_100000062450_200135323944 [0,2,0,0,0,0|1,0,1]=4 13998 B11R0.29 CC(=S)OCCCC(=O)[C@@H](C)O 1458a_100000717761_200135323944 [0,2,0,0,0,0|1,0,1]=4 13999 B11R0.29 CC(=S)OCCCC(=O)[C@H](C)O 1458a_217856618621_200135323944 [0,2,0,0,0,0|1,0,1]=4 14000 B11R0.29 CC(Br)CCOCC(=O)C(C)C 34a_100009893172_100000753385 [0,2,0,0,0,0|1,0,0]=3 14001 B11R0.29 CC(Br)CCOCC(=O)N(C)C 34a_100009893172_100000692301 [0,2,0,0,0,0|2,0,0]=4 14002 B11R0.29 CC(C)C(=O)CCCCB(O)O 1458a_100000210198_200009817182 [0,2,0,0,0,0|2,0,0]=4 14003 B11R0.29 CC(C)C(=O)CCOCC(F)F 1458a_100000210198_200012177212 [0,2,0,0,0,0|2,0,0]=4 14004 B11R0.29 CC(C)C(=O)COCCC(F)F 34a_100103093639_100000753385 [0,2,0,0,0,0|2,0,0]=4 14005 B11R0.29 CC(C)C(=O)COCC[C@@H](C)N 34a_100000706166_100000753385 [0,2,0,0,0,0|1,0,0]=3 14006 B11R0.29 CC(C)C(=O)CSCCN(C)C 62a_100000753385_100000755713 [0,2,0,0,0,0|2,0,0]=4 14007 B11R0.29 CC(C)C(=O)NCCCN(C)C 240690a_102531767803_100000210198 [0,2,0,0,0,0|2,0,0]=4 14008 B11R0.29 CC(C)C(=O)NCCCN(C)C 527a_102531767803_100000210198 [0,2,0,0,0,0|2,0,0]=4 14009 B11R0.29 CC(C)C(=O)NCCCS(=O)C 11a_200000753449_100000210198 [0,2,0,0,0,0|2,0,0]=4 14010 B11R0.29 CC(C)C(=O)NCCCS(=O)C 240690a_200000753449_100000210198 [0,2,0,0,0,0|2,0,0]=4 14011 B11R0.29 CC(C)C(=O)NCCCS(=O)C 527a_200000753449_100000210198 [0,2,0,0,0,0|2,0,0]=4 14012 B11R0.29 CC(C)C(=O)OCSC[C@@H](C)O 62a_100000139345_100009817552 [0,2,0,0,0,0|2,0,0]=4 14013 B11R0.29 CC(C)C(=O)OCSC[C@@H](C)O 62a_100009817552_100000139345 [0,2,0,0,0,0|2,0,0]=4 14014 B11R0.29 CC(C)CCCCC(=O)C(C)C 1458a_100000210198_100011216152 [0,2,0,0,0,0|0,0,0]=2 14015 B11R0.29 CC(C)CCCCC(=O)C(C)C 1458a_100011933920_100000210206 [0,2,0,0,0,0|0,0,0]=2 14016 B11R0.29 CC(C)CCCCC(=O)C(C)F 1458a_100000062450_100011216152 [0,2,0,0,0,0|0,0,0]=2 14017 B11R0.29 CC(C)CCCCC(=O)C(O)O 1458a_100000233687_100011216152 [0,2,0,0,0,0|1,0,0]=3 14018 B11R0.29 CC(C)CCCCC(=O)N(C)C 11a_100102631434_100011933920 [0,2,0,0,0,0|1,0,0]=3 14019 B11R0.29 CC(C)CCCCC(=O)N(C)C 1626a_100102631434_100011933920 [0,2,0,0,0,0|1,0,0]=3 14020 B11R0.29 CC(C)CCCCC(=O)N(C)C 240690a_100102631434_100011933920 [0,2,0,0,0,0|1,0,0]=3 14021 B11R0.29 CC(C)CCCCC(=O)N(C)C 527a_100102631434_100011933920 [0,2,0,0,0,0|1,0,0]=3 14022 B11R0.29 CC(C)CCCCC(=O)[C@@H](C)O 1458a_100000717761_100011216152 [0,2,0,0,0,0|0,0,0]=2 14023 B11R0.29 CC(C)CCCCC(=O)[C@H](C)O 1458a_217856618621_100011216152 [0,2,0,0,0,0|0,0,0]=2 14024 B11R0.29 CC(C)CCCCN(C)C(C)C 269982a_200000211004_100011216152 [0,2,0,0,0,0|2,0,0]=4 14025 B11R0.29 CC(C)CCCNC(=O)C(C)C 11a_200000737386_100000210198 [0,2,0,0,0,0|1,0,0]=3 14026 B11R0.29 CC(C)CCCNC(=O)C(C)C 1626a_200000737386_100000210198 [0,2,0,0,0,0|1,0,0]=3 14027 B11R0.29 CC(C)CCCNC(=O)C(C)C 240690a_200000737386_100000210198 [0,2,0,0,0,0|1,0,0]=3 14028 B11R0.29 CC(C)CCCNC(=O)C(C)C 527a_200000737386_100000210198 [0,2,0,0,0,0|1,0,0]=3 14029 B11R0.29 CC(C)CCCNC(=O)C(C)F 11a_200000737386_100000062450 [0,2,0,0,0,0|1,0,0]=3 14030 B11R0.29 CC(C)CCCNC(=O)C(C)F 1626a_200000737386_100000062450 [0,2,0,0,0,0|1,0,0]=3 14031 B11R0.29 CC(C)CCCNC(=O)C(C)F 240690a_200000737386_100000062450 [0,2,0,0,0,0|1,0,0]=3 14032 B11R0.29 CC(C)CCCNC(=O)C(C)F 527a_200000737386_100000062450 [0,2,0,0,0,0|1,0,0]=3 14033 B11R0.29 CC(C)CCCNC(=O)C(F)F 11a_200000737386_100000210393 [0,2,0,0,0,0|2,0,0]=4 14034 B11R0.29 CC(C)CCCNC(=O)C(F)F 1626a_200000737386_100000210393 [0,2,0,0,0,0|2,0,0]=4 14035 B11R0.29 CC(C)CCCNC(=O)C(F)F 240690a_200000737386_100000210393 [0,2,0,0,0,0|2,0,0]=4 14036 B11R0.29 CC(C)CCCNC(=O)C(F)F 527a_200000737386_100000210393 [0,2,0,0,0,0|2,0,0]=4 14037 B11R0.29 CC(C)CCCNC(=O)C(O)O 240690a_200000737386_100000233687 [0,2,0,0,0,0|2,0,0]=4 14038 B11R0.29 CC(C)CCCNC(=O)N(C)C 2708a_200000737386_100102631434 [0,2,0,0,0,0|2,0,0]=4 14039 B11R0.29 CC(C)CCCNC(=O)[C@@H](C)O 240690a_200000737386_100000717761 [0,2,0,0,0,0|1,0,0]=3 14040 B11R0.29 CC(C)CCCNC(=O)[C@H](C)O 1626a_200000737386_217856618621 [0,2,0,0,0,0|1,0,0]=3 14041 B11R0.29 CC(C)CCCNC(=O)[C@H](C)O 240690a_200000737386_217856618621 [0,2,0,0,0,0|1,0,0]=3 14042 B11R0.29 CC(C)CCNCC(=O)N(C)C 2230a_100015183351_100000210312 [0,2,0,0,0,0|2,0,0]=4 14043 B11R0.29 CC(C)CCOCC(=O)C(C)C 34a_100000210254_100000753385 [0,2,0,0,0,0|1,0,0]=3 14044 B11R0.29 CC(C)CCOCC(=O)C(C)C 7a_100000210254_100000753385 [0,2,0,0,0,0|1,0,0]=3 14045 B11R0.29 CC(C)CCOCC(=O)N(C)C 34a_100000210254_100000692301 [0,2,0,0,0,0|2,0,0]=4 14046 B11R0.29 CC(C)CCOCC(=O)N(C)C 7a_100000210254_100000692301 [0,2,0,0,0,0|2,0,0]=4 14047 B11R0.29 CC(C)CCSCC(=O)C(C)C 62a_100000210312_100000753385 [0,2,0,0,0,0|1,0,0]=3 14048 B11R0.29 CC(C)CCSCC(=O)C(C)C 62a_100000753385_100000210312 [0,2,0,0,0,0|1,0,0]=3 14049 B11R0.29 CC(C)CCSCC(=O)N(C)C 62a_100000210312_100000692301 [0,2,0,0,0,0|2,0,0]=4 14050 B11R0.29 CC(C)CCSCC(=O)N(C)C 62a_100000692301_100000210312 [0,2,0,0,0,0|2,0,0]=4 14051 B11R0.29 CC(C)CNCCC(=O)N(C)C 2230a_100000210953_100000737620 [0,2,0,0,0,0|2,0,0]=4 14052 B11R0.29 CC(C)CNCCC(=O)N(C)C 2230a_100000738053_100000210760 [0,2,0,0,0,0|2,0,0]=4 14053 B11R0.29 CC(C)CNCCC(=O)N(C)C 270004a_100000738053_100000210432 [0,2,0,0,0,0|2,0,0]=4 14054 B11R0.29 CC(C)COCCC(=O)N(C)C 34a_200000747469_100000210624 [0,2,0,0,0,0|2,0,0]=4 14055 B11R0.29 CC(C)CSCCC(=O)N(C)C 62a_100000210624_100000737620 [0,2,0,0,0,0|2,0,0]=4 14056 B11R0.29 CC(C)CSCCC(=O)N(C)C 62a_100000737620_100000210760 [0,2,0,0,0,0|2,0,0]=4 14057 B11R0.29 CC(C)CSCOC(=O)C(C)C 62a_100000139345_100000210760 [0,2,0,0,0,0|2,0,0]=4 14058 B11R0.29 CC(C)CSCOC(=O)C(C)C 62a_100000210624_100000139345 [0,2,0,0,0,0|2,0,0]=4 14059 B11R0.29 CC(C)NCCCC(=O)N(C)C 2230a_100138425928_100000737642 [0,2,0,0,0,0|2,0,0]=4 14060 B11R0.29 CC(C)NCCCC(=O)N(C)C 2230a_200000744827_100000210206 [0,2,0,0,0,0|2,0,0]=4 14061 B11R0.29 CC(C)NCCNC(=O)C(C)C 2230a_100000752568_100000210206 [0,2,0,0,0,0|2,0,0]=4 14062 B11R0.29 CC(C)NCCNC(=O)C(C)C 34a_100000752568_100000210206 [0,2,0,0,0,0|2,0,0]=4 14063 B11R0.29 CC(C)OCCNC(=O)C(C)C 11a_100000701111_100000210198 [0,2,0,0,0,0|2,0,0]=4 14064 B11R0.29 CC(C)OCCNC(=O)C(C)C 1626a_100000701111_100000210198 [0,2,0,0,0,0|2,0,0]=4 14065 B11R0.29 CC(C)OCCNC(=O)C(C)C 240690a_100000701111_100000210198 [0,2,0,0,0,0|2,0,0]=4 14066 B11R0.29 CC(C)OCCNC(=O)C(C)C 527a_100000701111_100000210198 [0,2,0,0,0,0|2,0,0]=4 14067 B11R0.29 CC(C)OCCNC(=O)C(C)F 11a_100000701111_100000062450 [0,2,0,0,0,0|2,0,0]=4 14068 B11R0.29 CC(C)OCCNC(=O)C(C)F 1626a_100000701111_100000062450 [0,2,0,0,0,0|2,0,0]=4 14069 B11R0.29 CC(C)OCCNC(=O)C(C)F 240690a_100000701111_100000062450 [0,2,0,0,0,0|2,0,0]=4 14070 B11R0.29 CC(C)OCCNC(=O)C(C)F 527a_100000701111_100000062450 [0,2,0,0,0,0|2,0,0]=4 14071 B11R0.29 CC(C)OCCNC(=O)[C@@H](C)O 240690a_100000701111_100000717761 [0,2,0,0,0,0|2,0,0]=4 14072 B11R0.29 CC(C)OCCNC(=O)[C@H](C)O 1626a_100000701111_217856618621 [0,2,0,0,0,0|2,0,0]=4 14073 B11R0.29 CC(C)OCCNC(=O)[C@H](C)O 240690a_100000701111_217856618621 [0,2,0,0,0,0|2,0,0]=4 14074 B11R0.29 CC(C)OCSCC(=O)C(C)C 62a_100000709892_100000753385 [0,2,0,0,0,0|2,0,0]=4 14075 B11R0.29 CC(C)OCSCC(=O)C(C)C 62a_100000753385_100000709892 [0,2,0,0,0,0|2,0,0]=4 14076 B11R0.29 CC(C)SCCCC(=O)N(C)C 62a_100000210206_100000737642 [0,2,0,0,0,0|2,0,0]=4 14077 B11R0.29 CC(C)SCCCC(=O)N(C)C 62a_100000737642_100000210206 [0,2,0,0,0,0|2,0,0]=4 14078 B11R0.29 CC(C)SCCNC(=O)C(C)C 11a_100000731138_100000210198 [0,2,0,0,0,0|2,0,0]=4 14079 B11R0.29 CC(C)SCCNC(=O)C(C)C 1626a_100000731138_100000210198 [0,2,0,0,0,0|2,0,0]=4 14080 B11R0.29 CC(C)SCCNC(=O)C(C)C 240690a_100000731138_100000210198 [0,2,0,0,0,0|2,0,0]=4 14081 B11R0.29 CC(C)SCCNC(=O)C(C)C 527a_100000731138_100000210198 [0,2,0,0,0,0|2,0,0]=4 14082 B11R0.29 CC(C)SCCNC(=O)C(C)F 11a_100000731138_100000062450 [0,2,0,0,0,0|2,0,0]=4 14083 B11R0.29 CC(C)SCCNC(=O)C(C)F 1626a_100000731138_100000062450 [0,2,0,0,0,0|2,0,0]=4 14084 B11R0.29 CC(C)SCCNC(=O)C(C)F 240690a_100000731138_100000062450 [0,2,0,0,0,0|2,0,0]=4 14085 B11R0.29 CC(C)SCCNC(=O)C(C)F 527a_100000731138_100000062450 [0,2,0,0,0,0|2,0,0]=4 14086 B11R0.29 CC(C)SCCNC(=O)[C@@H](C)O 240690a_100000731138_100000717761 [0,2,0,0,0,0|2,0,0]=4 14087 B11R0.29 CC(C)SCCNC(=O)[C@H](C)O 1626a_100000731138_217856618621 [0,2,0,0,0,0|2,0,0]=4 14088 B11R0.29 CC(C)SCCNC(=O)[C@H](C)O 240690a_100000731138_217856618621 [0,2,0,0,0,0|2,0,0]=4 14089 B11R0.29 CC(F)C(=O)CCCCB(O)O 1458a_100000062450_200009817182 [0,2,0,0,0,0|2,0,0]=4 14090 B11R0.29 CC(F)C(=O)CCOCC(F)F 1458a_100000062450_200012177212 [0,2,0,0,0,0|2,0,0]=4 14091 B11R0.29 CC(F)C(=O)NCCCN(C)C 240690a_102531767803_100000062450 [0,2,0,0,0,0|2,0,0]=4 14092 B11R0.29 CC(F)C(=O)NCCCN(C)C 527a_102531767803_100000062450 [0,2,0,0,0,0|2,0,0]=4 14093 B11R0.29 CC(F)C(=O)NCCCS(=O)C 11a_200000753449_100000062450 [0,2,0,0,0,0|2,0,0]=4 14094 B11R0.29 CC(F)C(=O)NCCCS(=O)C 240690a_200000753449_100000062450 [0,2,0,0,0,0|2,0,0]=4 14095 B11R0.29 CC(F)C(=O)NCCCS(=O)C 527a_200000753449_100000062450 [0,2,0,0,0,0|2,0,0]=4 14096 B11R0.29 CC(O)CCNCC(=O)C(C)C 2230a_200000755665_100000753385 [0,2,0,0,0,0|1,0,0]=3 14097 B11R0.29 CC(O)CCNCC(=O)N(C)C 2230a_100015183351_100012276601 [0,2,0,0,0,0|2,0,0]=4 14098 B11R0.29 CC(O)CCNCC(=O)N(C)C 2230a_200000755665_100000185267 [0,2,0,0,0,0|2,0,0]=4 14099 B11R0.29 CC(O)CCSCC(=O)C(C)C 62a_100000753385_100012276601 [0,2,0,0,0,0|1,0,0]=3 14100 B11R0.29 CC(O)CCSCC(=O)C(C)C 62a_100012276601_100000753385 [0,2,0,0,0,0|1,0,0]=3 14101 B11R0.29 CC(O)CCSCC(=O)N(C)C 62a_100000692301_100012276601 [0,2,0,0,0,0|2,0,0]=4 14102 B11R0.29 CC(O)CCSCC(=O)N(C)C 62a_100012276601_100000692301 [0,2,0,0,0,0|2,0,0]=4 14103 B11R0.29 CC(O)CNCCC(=O)N(C)C 2230a_100000210904_100000737620 [0,2,0,0,0,0|2,0,0]=4 14104 B11R0.29 CC(O)CNCCC(=O)N(C)C 2230a_100000738053_100011218427 [0,2,0,0,0,0|2,0,0]=4 14105 B11R0.29 CC(O)COCCC(=O)N(C)C 34a_200000747469_100011218427 [0,2,0,0,0,0|2,0,0]=4 14106 B11R0.29 CC(O)CSCCC(=O)N(C)C 62a_100000737620_100011218427 [0,2,0,0,0,0|2,0,0]=4 14107 B11R0.29 CC(O)CSCCC(=O)N(C)C 62a_100011218427_100000737620 [0,2,0,0,0,0|2,0,0]=4 14108 B11R0.29 CC(O)CSCOC(=O)C(C)C 62a_100000139345_100011218427 [0,2,0,0,0,0|2,0,0]=4 14109 B11R0.29 CC(O)CSCOC(=O)C(C)C 62a_100011218427_100000139345 [0,2,0,0,0,0|2,0,0]=4 14110 B11R0.29 CN(C)CCCCC(=O)N(C)C 11a_100102631434_100000751710 [0,2,0,0,0,0|2,0,0]=4 14111 B11R0.29 CN(C)CCCCC(=O)N(C)C 240690a_100102631434_100000751710 [0,2,0,0,0,0|2,0,0]=4 14112 B11R0.29 CN(C)CCCCC(=O)N(C)C 269982a_100102631434_100000752486 [0,2,0,0,0,0|2,0,0]=4 14113 B11R0.29 CN(C)CCCCC(=O)N(C)C 527a_100102631434_100000751710 [0,2,0,0,0,0|2,0,0]=4 14114 B11R0.29 C[C@@H](N)CCOCC(=O)N(C)C 34a_100000706166_100000692301 [0,2,0,0,0,0|2,0,0]=4 14115 B11R0.29 C[C@@H](O)C(=O)CCCCB(O)O 1458a_100000717761_200009817182 [0,2,0,0,0,0|2,0,0]=4 14116 B11R0.29 C[C@@H](O)C(=O)CCOCC(F)F 1458a_100000717761_200012177212 [0,2,0,0,0,0|2,0,0]=4 14117 B11R0.29 C[C@@H](O)C(=O)NCCCN(C)C 240690a_102531767803_100000717761 [0,2,0,0,0,0|2,0,0]=4 14118 B11R0.29 C[C@@H](O)C(=O)NCCCS(=O)C 240690a_200000753449_100000717761 [0,2,0,0,0,0|2,0,0]=4 14119 B11R0.29 C[C@@H](O)CNCCC(=O)N(C)C 2230a_100000738053_100009817552 [0,2,0,0,0,0|2,0,0]=4 14120 B11R0.29 C[C@@H](O)COCCC(=O)N(C)C 34a_200000747469_100009817552 [0,2,0,0,0,0|2,0,0]=4 14121 B11R0.29 C[C@@H](O)CSCCC(=O)N(C)C 62a_100000737620_100009817552 [0,2,0,0,0,0|2,0,0]=4 14122 B11R0.29 C[C@@H](O)CSCCC(=O)N(C)C 62a_100009817552_100000737620 [0,2,0,0,0,0|2,0,0]=4 14123 B11R0.29 C[C@H](O)C(=O)CCCCB(O)O 1458a_217856618621_200009817182 [0,2,0,0,0,0|2,0,0]=4 14124 B11R0.29 C[C@H](O)C(=O)CCOCC(F)F 1458a_217856618621_200012177212 [0,2,0,0,0,0|2,0,0]=4 14125 B11R0.29 C[C@H](O)C(=O)NCCCN(C)C 240690a_102531767803_217856618621 [0,2,0,0,0,0|2,0,0]=4 14126 B11R0.29 C[C@H](O)C(=O)NCCCS(=O)C 240690a_200000753449_217856618621 [0,2,0,0,0,0|2,0,0]=4 14127 B11R0.106 C#CC(C)NCCCC(=O)NC 2230a_100000707721_100000741757 [0,2,0,0,0,0|2,0,0]=4 14128 B11R0.106 C#CC(C)NCCCC(=O)NC 34a_100000707721_100000741757 [0,2,0,0,0,0|2,0,0]=4 14129 B11R0.106 C#CC(C)NCCCC(=O)NC 34a_100000740002_200000035995 [0,2,0,0,0,0|2,0,0]=4 14130 B11R0.106 C#CC(C)NCCCC(=O)OC 2230a_100000707721_100011218270 [0,2,0,0,0,0|2,0,0]=4 14131 B11R0.106 C#CC(C)NCCCC(=O)OC 34a_100000707721_100000742333 [0,2,0,0,0,0|2,0,0]=4 14132 B11R0.106 C#CC(C)NCCNC(=O)CC 34a_100132302217_200000035995 [0,2,0,0,0,0|2,0,0]=4 14133 B11R0.106 C#CC(C)OCCNC(=O)CC 34a_200000158885_200000035995 [0,2,0,0,0,0|2,0,0]=4 14134 B11R0.106 C#CC(C)SCCCC(=O)NC 62a_200000035995_100000741757 [0,2,0,0,0,0|2,0,0]=4 14135 B11R0.106 C#CC(C)SCCCC(=O)OC 62a_200000035995_100011218270 [0,2,0,0,0,0|2,0,0]=4 14136 B11R0.106 C#C[C@@H](C)OCCCC(=O)NC 34a_100009815206_100000741757 [0,2,0,0,0,0|2,0,0]=4 14137 B11R0.106 C#C[C@@H](C)OCCCC(=O)NC 7a_100009815206_100000741757 [0,2,0,0,0,0|2,0,0]=4 14138 B11R0.106 C#C[C@@H](C)OCCCC(=O)OC 34a_100009815206_100000742333 [0,2,0,0,0,0|2,0,0]=4 14139 B11R0.106 C#C[C@@H](C)OCCCC(=O)OC 7a_100009815206_100011218270 [0,2,0,0,0,0|2,0,0]=4 14140 B11R0.106 C=CC(C)COCCC(=O)NC 34a_100011215527_100012179268 [0,2,0,0,0,0|2,0,0]=4 14141 B11R0.106 C=CC(C)COCCC(=O)NC 7a_100011215527_100000737683 [0,2,0,0,0,0|2,0,0]=4 14142 B11R0.106 C=CC(C)COCCC(=O)OC 34a_100011215527_100000742370 [0,2,0,0,0,0|2,0,0]=4 14143 B11R0.106 C=CC(C)COCCC(=O)OC 7a_100011215527_100000204255 [0,2,0,0,0,0|2,0,0]=4 14144 B11R0.106 C=CC(C)OCCCC(=O)NC 34a_100000695699_100000741757 [0,2,0,0,0,0|2,0,0]=4 14145 B11R0.106 C=CC(C)OCCCC(=O)OC 34a_100000695699_100000742333 [0,2,0,0,0,0|2,0,0]=4 14146 B11R0.106 C=CC(C)SCCCC(=O)NC 62a_100011215867_100000741757 [0,2,0,0,0,0|2,0,0]=4 14147 B11R0.106 C=CC(C)SCCCC(=O)OC 62a_100011215867_100011218270 [0,2,0,0,0,0|2,0,0]=4 14148 B11R0.106 CCC(=O)CCCCC(=O)OC 1458a_100000210414_100000204269 [0,2,0,0,0,0|0,0,1]=3 14149 B11R0.106 CCC(=O)CCCCC(=O)OC 1458a_100000695723_100000210202 [0,2,0,0,0,0|0,0,1]=3 14150 B11R0.106 CCC(=O)CCCNC(=O)OC 1458a_100000753017_100000210202 [0,2,0,0,0,0|1,0,1]=4 14151 B11R0.106 CCC(=O)CCOCC(=O)OC 1458a_100000210414_100000090808 [0,2,0,0,0,0|1,0,1]=4 14152 B11R0.106 CCC(=O)COCCC(=O)NC 34a_100000725409_100012179268 [0,2,0,0,0,0|1,0,1]=4 14153 B11R0.106 CCC(=O)COCCC(=O)OC 34a_100000725409_100000742370 [0,2,0,0,0,0|1,0,1]=4 14154 B11R0.106 CCC(=O)COCCC(C)CC 7a_100011215188_100000747405 [0,2,0,0,0,0|0,0,0]=2 14155 B11R0.106 CCC(=O)COCCC(C)OC 7a_100000764861_100000747405 [0,2,0,0,0,0|1,0,0]=3 14156 B11R0.106 CCC(=O)CSCCC(=O)NC 62a_100000737683_100000747405 [0,2,0,0,0,0|1,0,1]=4 14157 B11R0.106 CCC(=O)CSCCC(=O)NC 62a_100000747405_100000737683 [0,2,0,0,0,0|1,0,1]=4 14158 B11R0.106 CCC(=O)CSCCC(=O)OC 62a_100000204255_100000747405 [0,2,0,0,0,0|1,0,1]=4 14159 B11R0.106 CCC(=O)CSCCC(=O)OC 62a_100000747405_100000204255 [0,2,0,0,0,0|1,0,1]=4 14160 B11R0.106 CCC(=O)NCCCC(=O)NC 11a_100000740002_100000210414 [0,2,0,0,0,0|1,0,1]=4 14161 B11R0.106 CCC(=O)NCCCC(=O)NC 240690a_100000740002_100000210414 [0,2,0,0,0,0|1,0,1]=4 14162 B11R0.106 CCC(=O)NCCCC(=O)NC 527a_100000740002_100000210414 [0,2,0,0,0,0|1,0,1]=4 14163 B11R0.106 CCC(=O)NCCCC(=O)OC 188690a_100000184769_100000210414 [0,2,0,0,0,0|1,0,1]=4 14164 B11R0.106 CCC(=O)NCCNC(=O)CC 11a_100132302217_100000210414 [0,2,0,0,0,0|1,0,1]=4 14165 B11R0.106 CCC(=O)NCCNC(=O)CC 1626a_100132302217_100000210414 [0,2,0,0,0,0|1,0,1]=4 14166 B11R0.106 CCC(=O)NCCNC(=O)CC 240690a_100132302217_100000210414 [0,2,0,0,0,0|1,0,1]=4 14167 B11R0.106 CCC(=O)NCCNC(=O)CC 527a_100132302217_100000210414 [0,2,0,0,0,0|1,0,1]=4 14168 B11R0.106 CCC(=O)NCCNC(C)CC 34a_100132302217_100011215416 [0,2,0,0,0,0|1,0,0]=3 14169 B11R0.106 CCC(=O)NCCNC(C)CO 34a_100132302217_100012180447 [0,2,0,0,0,0|2,0,0]=4 14170 B11R0.106 CCC(=O)NCCOC(C)C#N 7a_200000158885_100000703298 [0,2,0,0,0,0|2,0,0]=4 14171 B11R0.106 CCC(=O)NCCOC(C)CC 34a_200000158885_100011215416 [0,2,0,0,0,0|1,0,0]=3 14172 B11R0.106 CCC(=O)NCCOC(C)CC 7a_200000158885_100000758301 [0,2,0,0,0,0|1,0,0]=3 14173 B11R0.106 CCC(=O)NCCOC(C)CO 34a_200000158885_100012180447 [0,2,0,0,0,0|2,0,0]=4 14174 B11R0.106 CCC(=O)NCCOC(C)CO 7a_200000158885_100012180447 [0,2,0,0,0,0|2,0,0]=4 14175 B11R0.106 CCC(=O)OCCOC(C)C#N 7a_200000031056_100000703298 [0,2,0,0,0,0|2,0,0]=4 14176 B11R0.106 CCC(=O)OCCOC(C)CC 7a_200000031056_100000758301 [0,2,0,0,0,0|1,0,0]=3 14177 B11R0.106 CCC(=O)OCCOC(C)CO 7a_200000031056_100012180447 [0,2,0,0,0,0|2,0,0]=4 14178 B11R0.106 CCC(C)CCCOC(C)CC 7a_100011216074_100000758301 [0,2,0,0,0,0|1,0,1]=4 14179 B11R0.106 CCC(C)CCNCC(=O)NC 2230a_100020591266_100000183359 [0,2,0,0,0,0|1,0,0]=3 14180 B11R0.106 CCC(C)CCNCC(=O)OC 2230a_100020591266_100000747449 [0,2,0,0,0,0|1,0,0]=3 14181 B11R0.106 CCC(C)CCNCC(C)CC 2230a_100020591266_100000748023 [0,2,0,0,0,0|1,0,1]=4 14182 B11R0.106 CCC(C)CCNCC(C)CC 270004a_100020591266_100000243153 [0,2,0,0,0,0|1,0,1]=4 14183 B11R0.106 CCC(C)CCNCC(O)CC 2230a_100020591266_100011218378 [0,2,0,0,0,0|0,0,2]=4 14184 B11R0.106 CCC(C)CCNC[C@@H](C)CC 2230a_100020591266_100009816398 [0,2,0,0,0,0|1,0,1]=4 14185 B11R0.106 CCC(C)CCOCC(=O)NC 7a_100011215188_100000183359 [0,2,0,0,0,0|1,0,0]=3 14186 B11R0.106 CCC(C)CCOCC(=O)OC 7a_100011215188_100000747449 [0,2,0,0,0,0|1,0,0]=3 14187 B11R0.106 CCC(C)CCOCC(C)CC 7a_100011215188_100000748023 [0,2,0,0,0,0|1,0,1]=4 14188 B11R0.106 CCC(C)CCOCC(O)CC 7a_100011215188_100011218378 [0,2,0,0,0,0|0,0,2]=4 14189 B11R0.106 CCC(C)CCOC[C@@H](C)CC 7a_100011215188_100009816398 [0,2,0,0,0,0|1,0,1]=4 14190 B11R0.106 CCC(C)CNCCC(=O)NC 2230a_100000738227_100000748023 [0,2,0,0,0,0|1,0,0]=3 14191 B11R0.106 CCC(C)CNCCC(=O)NC 2230a_100020588543_100000737683 [0,2,0,0,0,0|1,0,0]=3 14192 B11R0.106 CCC(C)CNCCC(=O)NC 270004a_100000738227_100000243153 [0,2,0,0,0,0|1,0,0]=3 14193 B11R0.106 CCC(C)CNCCC(=O)NC 34a_100000738227_100000748023 [0,2,0,0,0,0|1,0,0]=3 14194 B11R0.106 CCC(C)CNCCC(=O)OC 2230a_100020588543_100000204255 [0,2,0,0,0,0|1,0,0]=3 14195 B11R0.106 CCC(C)COCCC(=O)NC 34a_100000754576_100000748023 [0,2,0,0,0,0|1,0,0]=3 14196 B11R0.106 CCC(C)CSCCC(=O)NC 62a_100000737683_100000748023 [0,2,0,0,0,0|1,0,0]=3 14197 B11R0.106 CCC(C)CSCCC(=O)NC 62a_100000748023_100000737683 [0,2,0,0,0,0|1,0,0]=3 14198 B11R0.106 CCC(C)CSCCC(=O)OC 62a_100000204255_100000748023 [0,2,0,0,0,0|1,0,0]=3 14199 B11R0.106 CCC(C)CSCCC(=O)OC 62a_100000748023_100000204255 [0,2,0,0,0,0|1,0,0]=3 14200 B11R0.106 CCC(C)CSCOC(=O)OC 62a_100000748023_100000139417 [0,2,0,0,0,0|2,0,0]=4 14201 B11R0.106 CCC(C)NCCCC(=O)NC 2230a_100000209981_100000741757 [0,2,0,0,0,0|1,0,0]=3 14202 B11R0.106 CCC(C)NCCCC(=O)NC 2230a_100000740002_100000758301 [0,2,0,0,0,0|1,0,0]=3 14203 B11R0.106 CCC(C)NCCCC(=O)NC 34a_100000740002_100011215416 [0,2,0,0,0,0|1,0,0]=3 14204 B11R0.106 CCC(C)NCCCC(=O)OC 2230a_100000209981_100011218270 [0,2,0,0,0,0|1,0,0]=3 14205 B11R0.106 CCC(C)NCCCN(C)CC 2230a_100000209981_100015186262 [0,2,0,0,0,0|2,0,0]=4 14206 B11R0.106 CCC(C)NCCNC(=O)NC 34a_100015205895_100011215416 [0,2,0,0,0,0|2,0,0]=4 14207 B11R0.106 CCC(C)OCCCC(=O)NC 7a_100000210228_100000741757 [0,2,0,0,0,0|1,0,0]=3 14208 B11R0.106 CCC(C)OCCCC(=O)NN 34a_100000211488_100011215416 [0,2,0,0,0,0|2,0,0]=4 14209 B11R0.106 CCC(C)OCCCC(=O)OC 7a_100000210228_100011218270 [0,2,0,0,0,0|1,0,0]=3 14210 B11R0.106 CCC(C)OCCCN(C)CC 7a_100000210228_100015186262 [0,2,0,0,0,0|2,0,0]=4 14211 B11R0.106 CCC(C)OCCNC(=O)OC 34a_100000757965_100011215416 [0,2,0,0,0,0|2,0,0]=4 14212 B11R0.106 CCC(C)OCCOC(=O)NC 7a_100000210228_200011997002 [0,2,0,0,0,0|2,0,0]=4 14213 B11R0.106 CCC(C)OCCOC(=O)OC 34a_100010262106_100011215416 [0,2,0,0,0,0|2,0,0]=4 14214 B11R0.106 CCC(C)SCCCC(=O)NC 62a_100000741757_100000758301 [0,2,0,0,0,0|1,0,0]=3 14215 B11R0.106 CCC(C)SCCCC(=O)NC 62a_100000758301_100000741757 [0,2,0,0,0,0|1,0,0]=3 14216 B11R0.106 CCC(C)SCCCC(=O)OC 62a_100000758301_100011218270 [0,2,0,0,0,0|1,0,0]=3 14217 B11R0.106 CCC(C)SCCCC(=O)OC 62a_100011218270_100000758301 [0,2,0,0,0,0|1,0,0]=3 14218 B11R0.106 CCC(C)SCCCN(C)CC 62a_100000758301_100015186262 [0,2,0,0,0,0|2,0,0]=4 14219 B11R0.106 CCC(C)SCCOC(=O)NC 62a_100000758301_200011997002 [0,2,0,0,0,0|2,0,0]=4 14220 B11R0.106 CCC(C)SCCOC(=O)NC 62a_200011997002_100000758301 [0,2,0,0,0,0|2,0,0]=4 14221 B11R0.106 CCC(O)CNCCC(=O)NC 2230a_100000738227_100011218378 [0,2,0,0,0,0|1,0,0]=3 14222 B11R0.106 CCC(O)CNCCC(=O)NC 2230a_100011218483_100000737683 [0,2,0,0,0,0|1,0,0]=3 14223 B11R0.106 CCC(O)CNCCC(=O)NC 34a_100000738227_100011218378 [0,2,0,0,0,0|1,0,0]=3 14224 B11R0.106 CCC(O)CNCCC(=O)OC 2230a_100011218483_100000204255 [0,2,0,0,0,0|1,0,0]=3 14225 B11R0.106 CCC(O)COCCC(=O)NC 34a_100000754576_100011218378 [0,2,0,0,0,0|1,0,0]=3 14226 B11R0.106 CCC(O)CSCCC(=O)NC 62a_100000737683_100011218378 [0,2,0,0,0,0|1,0,0]=3 14227 B11R0.106 CCC(O)CSCCC(=O)NC 62a_100011218378_100000737683 [0,2,0,0,0,0|1,0,0]=3 14228 B11R0.106 CCC(O)CSCCC(=O)OC 62a_100000204255_100011218378 [0,2,0,0,0,0|1,0,0]=3 14229 B11R0.106 CCC(O)CSCCC(=O)OC 62a_100011218378_100000204255 [0,2,0,0,0,0|1,0,0]=3 14230 B11R0.106 CCC(O)CSCOC(=O)OC 62a_100011218378_100000139417 [0,2,0,0,0,0|2,0,0]=4 14231 B11R0.106 CCN(C)CCCCC(=O)OC 2230a_100000225621_100000204269 [0,2,0,0,0,0|1,0,0]=3 14232 B11R0.106 CCN(C)CCCCC(=O)OC 269982a_100000225621_100000204269 [0,2,0,0,0,0|1,0,0]=3 14233 B11R0.106 CCN(C)CCOCC(=O)OC 2230a_100000225621_100000090808 [0,2,0,0,0,0|2,0,0]=4 14234 B11R0.106 CC[C@H](C)CNCCC(=O)NC 2230a_100000738227_100009816398 [0,2,0,0,0,0|1,0,0]=3 14235 B11R0.106 CC[C@H](C)CNCCC(=O)NC 34a_100000738227_100009816398 [0,2,0,0,0,0|1,0,0]=3 14236 B11R0.106 CC[C@H](C)COCCC(=O)NC 34a_100000754576_100009816398 [0,2,0,0,0,0|1,0,0]=3 14237 B11R0.106 CC[C@H](C)COCCC(=O)NC 7a_100009816381_100000737683 [0,2,0,0,0,0|1,0,0]=3 14238 B11R0.106 CC[C@H](C)COCCC(=O)OC 7a_100009816381_100000204255 [0,2,0,0,0,0|1,0,0]=3 14239 B11R0.106 CC[C@H](C)CSCCC(=O)NC 62a_100000737683_100009816398 [0,2,0,0,0,0|1,0,0]=3 14240 B11R0.106 CC[C@H](C)CSCCC(=O)NC 62a_100009816398_100000737683 [0,2,0,0,0,0|1,0,0]=3 14241 B11R0.106 CC[C@H](C)CSCCC(=O)OC 62a_100000204255_100009816398 [0,2,0,0,0,0|1,0,0]=3 14242 B11R0.106 CC[C@H](C)CSCCC(=O)OC 62a_100009816398_100000204255 [0,2,0,0,0,0|1,0,0]=3 14243 B11R0.106 CC[C@H](C)CSCOC(=O)OC 62a_100009816398_100000139417 [0,2,0,0,0,0|2,0,0]=4 14244 B11R0.106 CNC(=O)CCCCC(=O)OC 11a_106832991635_100000695723 [0,2,0,0,0,0|1,0,1]=4 14245 B11R0.106 CNC(=O)CCCCC(=O)OC 1626a_100102657272_100000695723 [0,2,0,0,0,0|1,0,1]=4 14246 B11R0.106 CNC(=O)CCCCC(=O)OC 240690a_100102657272_100000695723 [0,2,0,0,0,0|1,0,1]=4 14247 B11R0.106 CNC(=O)CCCCC(=O)OC 527a_100102657272_100000695723 [0,2,0,0,0,0|1,0,1]=4 14248 B11R0.106 CNC(=O)CCCNC(C)C#N 2230a_100000737613_100000741757 [0,2,0,0,0,0|2,0,0]=4 14249 B11R0.106 CNC(=O)CCCNC(C)C#N 2230a_100000740002_100000184139 [0,2,0,0,0,0|2,0,0]=4 14250 B11R0.106 CNC(=O)CCCNC(C)CO 2230a_100000740002_100012180447 [0,2,0,0,0,0|2,0,0]=4 14251 B11R0.106 CNC(=O)CCCNC(C)CO 34a_100000740002_100012180447 [0,2,0,0,0,0|2,0,0]=4 14252 B11R0.106 CNC(=O)CCCN[C@H](C)CO 2230a_100000737577_100000741757 [0,2,0,0,0,0|2,0,0]=4 14253 B11R0.106 CNC(=O)CCCOC(C)C#N 34a_100011218135_100000741757 [0,2,0,0,0,0|2,0,0]=4 14254 B11R0.106 CNC(=O)CCCOC(C)CF 34a_100016041109_100000741757 [0,2,0,0,0,0|2,0,0]=4 14255 B11R0.106 CNC(=O)CCCOC(C)CF 7a_100016041109_100000741757 [0,2,0,0,0,0|2,0,0]=4 14256 B11R0.106 CNC(=O)CCCOC(C)CN 34a_100000210904_100000741757 [0,2,0,0,0,0|2,0,0]=4 14257 B11R0.106 CNC(=O)CCCSC(C)C#N 62a_100000703298_100000741757 [0,2,0,0,0,0|2,0,0]=4 14258 B11R0.106 CNC(=O)CCCSC(C)C#N 62a_100000741757_100000703298 [0,2,0,0,0,0|2,0,0]=4 14259 B11R0.106 CNC(=O)CCCSC(C)CO 62a_100012180447_100000741757 [0,2,0,0,0,0|2,0,0]=4 14260 B11R0.106 CNC(=O)CCCSC(C)OC 62a_100000741757_100009879195 [0,2,0,0,0,0|2,0,0]=4 14261 B11R0.106 CNC(=O)CCCSC(C)OC 62a_100009879195_100000741757 [0,2,0,0,0,0|2,0,0]=4 14262 B11R0.106 CNC(=O)CCCS[C@H](C)CO 62a_100000741757_100016084084 [0,2,0,0,0,0|2,0,0]=4 14263 B11R0.106 CNC(=O)CCCS[C@H](C)CO 62a_100016084084_100000741757 [0,2,0,0,0,0|2,0,0]=4 14264 B11R0.106 CNC(=O)CCNCC(C)CO 34a_100000744482_100012179268 [0,2,0,0,0,0|2,0,0]=4 14265 B11R0.106 CNC(=O)CCNCC(O)CO 2230a_100000738227_100011219619 [0,2,0,0,0,0|2,0,0]=4 14266 B11R0.106 CNC(=O)CCNCC(O)CO 34a_100000738227_100011219619 [0,2,0,0,0,0|2,0,0]=4 14267 B11R0.106 CNC(=O)CCNC[C@@H](C)CO 2230a_100000738227_100000059175 [0,2,0,0,0,0|2,0,0]=4 14268 B11R0.106 CNC(=O)CCNC[C@@H](C)CO 34a_100000738227_100000059175 [0,2,0,0,0,0|2,0,0]=4 14269 B11R0.106 CNC(=O)CCNC[C@@H](C)OC 2230a_100020591295_100000737683 [0,2,0,0,0,0|2,0,0]=4 14270 B11R0.106 CNC(=O)CCNC[C@@H](F)CO 34a_100015665980_100012179268 [0,2,0,0,0,0|2,0,0]=4 14271 B11R0.106 CNC(=O)CCNC[C@@H](O)CF 2230a_100000738227_100015614560 [0,2,0,0,0,0|2,0,0]=4 14272 B11R0.106 CNC(=O)CCNC[C@@H](O)CF 34a_100000738227_100015614560 [0,2,0,0,0,0|2,0,0]=4 14273 B11R0.106 CNC(=O)CCNC[C@@H](O)CO 2230a_100000738227_100009815848 [0,2,0,0,0,0|2,0,0]=4 14274 B11R0.106 CNC(=O)CCNC[C@@H](O)CO 34a_100000738227_100009815848 [0,2,0,0,0,0|2,0,0]=4 14275 B11R0.106 CNC(=O)CCNC[C@H](O)CO 2230a_100020644852_100000737683 [0,2,0,0,0,0|2,0,0]=4 14276 B11R0.106 CNC(=O)CCOCC(C)CN 34a_100000744482_100012179268 [0,2,0,0,0,0|2,0,0]=4 14277 B11R0.106 CNC(=O)CCOCC(C)OC 34a_100000690652_100012179268 [0,2,0,0,0,0|2,0,0]=4 14278 B11R0.106 CNC(=O)CCOCC(Cl)CCl 34a_100000033668_100012179268 [0,2,0,0,0,0|2,0,0]=4 14279 B11R0.106 CNC(=O)CCOCC(O)CO 34a_100000754576_100011219619 [0,2,0,0,0,0|2,0,0]=4 14280 B11R0.106 CNC(=O)CCOC[C@@H](C)CO 34a_100000754576_100000059175 [0,2,0,0,0,0|2,0,0]=4 14281 B11R0.106 CNC(=O)CCOC[C@@H](O)CF 34a_100000754576_100015614560 [0,2,0,0,0,0|2,0,0]=4 14282 B11R0.106 CNC(=O)CCOC[C@@H](O)CO 34a_100000754576_100009815848 [0,2,0,0,0,0|2,0,0]=4 14283 B11R0.106 CNC(=O)CCOC[C@H](F)CN 34a_100015665980_100012179268 [0,2,0,0,0,0|2,0,0]=4 14284 B11R0.106 CNC(=O)CCSCC(O)CO 62a_100000737683_100011219619 [0,2,0,0,0,0|2,0,0]=4 14285 B11R0.106 CNC(=O)CCSCC(O)CO 62a_100011219619_100000737683 [0,2,0,0,0,0|2,0,0]=4 14286 B11R0.106 CNC(=O)CCSC[C@@H](C)CO 62a_100000059175_100000737683 [0,2,0,0,0,0|2,0,0]=4 14287 B11R0.106 CNC(=O)CCSC[C@@H](C)CO 62a_100000737683_100000059175 [0,2,0,0,0,0|2,0,0]=4 14288 B11R0.106 CNC(=O)CCSC[C@@H](O)CF 62a_100000737683_100015614560 [0,2,0,0,0,0|2,0,0]=4 14289 B11R0.106 CNC(=O)CCSC[C@@H](O)CF 62a_100015614560_100000737683 [0,2,0,0,0,0|2,0,0]=4 14290 B11R0.106 CNC(=O)CCSC[C@@H](O)CO 62a_100000737683_100009815848 [0,2,0,0,0,0|2,0,0]=4 14291 B11R0.106 CNC(=O)CCSC[C@@H](O)CO 62a_100009815848_100000737683 [0,2,0,0,0,0|2,0,0]=4 14292 B11R0.106 CNC(=O)CNCCC(C)CO 2230a_106354213184_100000183359 [0,2,0,0,0,0|2,0,0]=4 14293 B11R0.106 CNC(=O)CNCCC(C)CO 34a_106354213184_100000183359 [0,2,0,0,0,0|2,0,0]=4 14294 B11R0.106 CNC(=O)COCCC(C)OC 7a_100000764861_100000183359 [0,2,0,0,0,0|2,0,0]=4 14295 B11R0.106 COC(=O)CCCCC(=O)CF 1458a_100000695723_100015361967 [0,2,0,0,0,0|1,0,1]=4 14296 B11R0.106 COC(=O)CCCCC(=O)CO 1458a_100000210174_100000204269 [0,2,0,0,0,0|1,0,1]=4 14297 B11R0.106 COC(=O)CCCNC(C)C#N 2230a_100000737613_100011218270 [0,2,0,0,0,0|2,0,0]=4 14298 B11R0.106 COC(=O)CCCN[C@H](C)CO 2230a_100000737577_100011218270 [0,2,0,0,0,0|2,0,0]=4 14299 B11R0.106 COC(=O)CCCOC(C)C#N 34a_100011218135_100000742333 [0,2,0,0,0,0|2,0,0]=4 14300 B11R0.106 COC(=O)CCCOC(C)CF 34a_100016041109_100000742333 [0,2,0,0,0,0|2,0,0]=4 14301 B11R0.106 COC(=O)CCCOC(C)CF 7a_100016041109_100011218270 [0,2,0,0,0,0|2,0,0]=4 14302 B11R0.106 COC(=O)CCCOC(C)CN 34a_100000210904_100000742333 [0,2,0,0,0,0|2,0,0]=4 14303 B11R0.106 COC(=O)CCCSC(C)C#N 62a_100000703298_100011218270 [0,2,0,0,0,0|2,0,0]=4 14304 B11R0.106 COC(=O)CCCSC(C)C#N 62a_100011218270_100000703298 [0,2,0,0,0,0|2,0,0]=4 14305 B11R0.106 COC(=O)CCCSC(C)CO 62a_100012180447_100011218270 [0,2,0,0,0,0|2,0,0]=4 14306 B11R0.106 COC(=O)CCCSC(C)OC 62a_100009879195_100011218270 [0,2,0,0,0,0|2,0,0]=4 14307 B11R0.106 COC(=O)CCCSC(C)OC 62a_100011218270_100009879195 [0,2,0,0,0,0|2,0,0]=4 14308 B11R0.106 COC(=O)CCCS[C@H](C)CO 62a_100011218270_100016084084 [0,2,0,0,0,0|2,0,0]=4 14309 B11R0.106 COC(=O)CCCS[C@H](C)CO 62a_100016084084_100011218270 [0,2,0,0,0,0|2,0,0]=4 14310 B11R0.106 COC(=O)CCNCC(C)CO 34a_100000744482_100000742370 [0,2,0,0,0,0|2,0,0]=4 14311 B11R0.106 COC(=O)CCNC[C@@H](C)OC 2230a_100020591295_100000204255 [0,2,0,0,0,0|2,0,0]=4 14312 B11R0.106 COC(=O)CCNC[C@@H](F)CO 34a_100015665980_100000742370 [0,2,0,0,0,0|2,0,0]=4 14313 B11R0.106 COC(=O)CCNC[C@H](O)CO 2230a_100020644852_100000204255 [0,2,0,0,0,0|2,0,0]=4 14314 B11R0.106 COC(=O)CCOCC(C)CN 34a_100000744482_100000742370 [0,2,0,0,0,0|2,0,0]=4 14315 B11R0.106 COC(=O)CCOCC(C)OC 34a_100000690652_100000742370 [0,2,0,0,0,0|2,0,0]=4 14316 B11R0.106 COC(=O)CCOCC(Cl)CCl 34a_100000033668_100000742370 [0,2,0,0,0,0|2,0,0]=4 14317 B11R0.106 COC(=O)CCOC[C@H](F)CN 34a_100015665980_100000742370 [0,2,0,0,0,0|2,0,0]=4 14318 B11R0.106 COC(=O)CCSCC(O)CO 62a_100000204255_100011219619 [0,2,0,0,0,0|2,0,0]=4 14319 B11R0.106 COC(=O)CCSCC(O)CO 62a_100011219619_100000204255 [0,2,0,0,0,0|2,0,0]=4 14320 B11R0.106 COC(=O)CCSC[C@@H](C)CO 62a_100000059175_100000204255 [0,2,0,0,0,0|2,0,0]=4 14321 B11R0.106 COC(=O)CCSC[C@@H](C)CO 62a_100000204255_100000059175 [0,2,0,0,0,0|2,0,0]=4 14322 B11R0.106 COC(=O)CCSC[C@@H](O)CF 62a_100000204255_100015614560 [0,2,0,0,0,0|2,0,0]=4 14323 B11R0.106 COC(=O)CCSC[C@@H](O)CF 62a_100015614560_100000204255 [0,2,0,0,0,0|2,0,0]=4 14324 B11R0.106 COC(=O)CCSC[C@@H](O)CO 62a_100000204255_100009815848 [0,2,0,0,0,0|2,0,0]=4 14325 B11R0.106 COC(=O)CCSC[C@@H](O)CO 62a_100009815848_100000204255 [0,2,0,0,0,0|2,0,0]=4 14326 B11R0.106 COC(=O)CNCCC(C)CO 2230a_106354213184_100000747449 [0,2,0,0,0,0|2,0,0]=4 14327 B11R0.106 COC(=O)CNCCC(C)CO 34a_106354213184_100000747449 [0,2,0,0,0,0|2,0,0]=4 14328 B11R0.106 COC(=O)COCCC(C)OC 7a_100000764861_100000747449 [0,2,0,0,0,0|2,0,0]=4 14329 B11R0.107 CCC(=O)CCC(=O)NC(C)C 1458a_100000210414_100000737564 [0,2,0,0,0,0|1,0,1]=4 14330 B11R0.107 CCC(=O)CCC(=O)OC(C)C 1458a_100000210414_100000760027 [0,2,0,0,0,0|1,0,1]=4 14331 B11R0.107 CCC(=O)CNC(=O)CC(C)C 1458a_100000194594_100000210202 [0,2,0,0,0,0|1,0,1]=4 14332 B11R0.107 CCC(=O)COC(C)CC(C)C 34a_100000725409_100000731052 [0,2,0,0,0,0|1,0,0]=3 14333 B11R0.107 CCC(=O)COC(C)CC(C)C 7a_100000211805_100000747405 [0,2,0,0,0,0|1,0,0]=3 14334 B11R0.107 CCC(=O)CSC(C)CC(C)C 62a_100000731052_100000747405 [0,2,0,0,0,0|1,0,0]=3 14335 B11R0.107 CCC(=O)CSC(C)CC(C)C 62a_100000747405_100000731052 [0,2,0,0,0,0|1,0,0]=3 14336 B11R0.107 CCC(=O)CSC(C)CN(C)C 62a_100000747405_100020606517 [0,2,0,0,0,0|2,0,0]=4 14337 B11R0.107 CCC(=O)CSC(C)CN(C)C 62a_100020606517_100000747405 [0,2,0,0,0,0|2,0,0]=4 14338 B11R0.107 CCC(=O)NCC(=O)CC(C)C 1458a_100000194589_100000210624 [0,2,0,0,0,0|1,0,1]=4 14339 B11R0.107 CCC(=O)NCC(=O)CC(C)O 1458a_100000194589_100011218427 [0,2,0,0,0,0|1,0,1]=4 14340 B11R0.107 CCC(=O)NCC(O)CN(C)C 240690a_100000737402_100000210414 [0,2,0,0,0,0|2,0,0]=4 14341 B11R0.107 CCC(=O)NCC(O)CN(C)C 527a_100000737402_100000210414 [0,2,0,0,0,0|2,0,0]=4 14342 B11R0.107 CCS(=O)CCC(=O)CC(C)C 1458a_100011387550_100000210624 [0,2,0,0,0,0|1,0,1]=4 14343 B11R0.107 CCS(=O)CCC(=O)CC(C)O 1458a_100011387550_100011218427 [0,2,0,0,0,0|1,0,1]=4 14344 B11R0.107 CNC(=O)CCC(=O)CC(C)C 1458a_100011309844_100000210624 [0,2,0,0,0,0|1,0,1]=4 14345 B11R0.107 CNC(=O)CCC(=O)CC(C)O 1458a_100011309844_100011218427 [0,2,0,0,0,0|1,0,1]=4 14346 B11R0.107 CNC(=O)CCN(C)CC(C)C 2230a_100000747067_100000737683 [0,2,0,0,0,0|2,0,0]=4 14347 B11R0.107 CNC(=O)CCN(C)CC(C)C 2230a_100000750875_100000210760 [0,2,0,0,0,0|2,0,0]=4 14348 B11R0.107 CNC(=O)CCN(C)CC(C)C 269982a_100000747067_100000737683 [0,2,0,0,0,0|2,0,0]=4 14349 B11R0.107 CNC(=O)CCN(C)CC(C)C 269982a_100000750875_100000210624 [0,2,0,0,0,0|2,0,0]=4 14350 B11R0.107 CNC(=O)CCN(C)CC(C)C 270004a_100000750875_100000210432 [0,2,0,0,0,0|2,0,0]=4 14351 B11R0.107 CNC(=O)CCN(C)CC(C)O 2230a_100000227577_100000737683 [0,2,0,0,0,0|2,0,0]=4 14352 B11R0.107 CNC(=O)CCN(C)CC(C)O 2230a_100000750875_100011218427 [0,2,0,0,0,0|2,0,0]=4 14353 B11R0.107 CNC(=O)CCN(C)CC(C)O 269982a_100000227577_100000737683 [0,2,0,0,0,0|2,0,0]=4 14354 B11R0.107 CNC(=O)CCN(C)CC(C)O 269982a_100000750875_100011218427 [0,2,0,0,0,0|2,0,0]=4 14355 B11R0.107 CNC(=O)CCN(C)C[C@@H](C)O 2230a_100000750875_100009817552 [0,2,0,0,0,0|2,0,0]=4 14356 B11R0.107 CNC(=O)CCN(C)C[C@@H](C)O 269982a_100000750875_100009817552 [0,2,0,0,0,0|2,0,0]=4 14357 B11R0.107 CNC(=O)CNC(C)CC(C)C 2230a_100000692259_100000183359 [0,2,0,0,0,0|2,0,0]=4 14358 B11R0.107 CNC(=O)CNC(C)CC(C)C 2230a_100000693194_100000731052 [0,2,0,0,0,0|2,0,0]=4 14359 B11R0.107 CNC(=O)COC(C)CC(C)C 34a_100000211805_100000183359 [0,2,0,0,0,0|2,0,0]=4 14360 B11R0.107 CNC(=O)COC(C)CC(C)C 34a_100000750040_100000731052 [0,2,0,0,0,0|2,0,0]=4 14361 B11R0.107 CNC(=O)COC(C)CC(C)C 7a_100000211805_100000183359 [0,2,0,0,0,0|2,0,0]=4 14362 B11R0.107 CNC(=O)CSC(C)CC(C)C 62a_100000183359_100000731052 [0,2,0,0,0,0|2,0,0]=4 14363 B11R0.107 CNC(=O)CSC(C)CC(C)C 62a_100000731052_100000183359 [0,2,0,0,0,0|2,0,0]=4 14364 B11R0.107 COC(=O)CCC(=O)CC(C)C 1458a_100000187943_100000210624 [0,2,0,0,0,0|1,0,1]=4 14365 B11R0.107 COC(=O)CCC(=O)CC(C)O 1458a_100000187943_100011218427 [0,2,0,0,0,0|1,0,1]=4 14366 B11R0.107 COC(=O)CCN(C)CC(C)C 2230a_100000747067_100000204255 [0,2,0,0,0,0|2,0,0]=4 14367 B11R0.107 COC(=O)CCN(C)CC(C)C 269982a_100000747067_100000204255 [0,2,0,0,0,0|2,0,0]=4 14368 B11R0.107 COC(=O)CCN(C)CC(C)C 269982a_100025711912_100000210624 [0,2,0,0,0,0|2,0,0]=4 14369 B11R0.107 COC(=O)CCN(C)CC(C)O 2230a_100000227577_100000204255 [0,2,0,0,0,0|2,0,0]=4 14370 B11R0.107 COC(=O)CCN(C)CC(C)O 269982a_100000227577_100000204255 [0,2,0,0,0,0|2,0,0]=4 14371 B11R0.107 COC(=O)CCN(C)CC(C)O 269982a_100025711912_100011218427 [0,2,0,0,0,0|2,0,0]=4 14372 B11R0.107 COC(=O)CCN(C)C[C@@H](C)O 269982a_100025711912_100009817552 [0,2,0,0,0,0|2,0,0]=4 14373 B11R0.107 COC(=O)CNC(C)CC(C)C 2230a_100000692259_100000747449 [0,2,0,0,0,0|2,0,0]=4 14374 B11R0.107 COC(=O)COC(C)CC(C)C 34a_100000211805_100000747449 [0,2,0,0,0,0|2,0,0]=4 14375 B11R0.107 COC(=O)COC(C)CC(C)C 7a_100000211805_100000747449 [0,2,0,0,0,0|2,0,0]=4 14376 B11R0.107 COC(=O)CSC(C)CC(C)C 62a_100000731052_100000747449 [0,2,0,0,0,0|2,0,0]=4 14377 B11R0.107 COC(=O)CSC(C)CC(C)C 62a_100000747449_100000731052 [0,2,0,0,0,0|2,0,0]=4 14378 B11R0.109 C=C(C)C(=O)CCCN(C)CC 1458a_100000185857_100015186262 [0,2,0,0,0,0|1,0,1]=4 14379 B11R0.109 C=C(C)C(=O)NCCC(C)CC 11a_100020591266_100000185857 [0,2,0,0,0,0|1,0,1]=4 14380 B11R0.109 C=C(C)C(=O)NCCC(C)CC 1626a_100020591266_100000185857 [0,2,0,0,0,0|1,0,1]=4 14381 B11R0.109 CC(C)C(=O)CNC[C@@H](F)CO 34a_100015665980_100000753385 [0,2,0,0,0,0|2,0,0]=4 14382 B11R0.109 CC(C)C(=O)CNC[C@H](O)CO 2230a_100020644852_100000753385 [0,2,0,0,0,0|2,0,0]=4 14383 B11R0.109 CC(C)C(=O)COCC(Cl)CCl 34a_100000033668_100000753385 [0,2,0,0,0,0|2,0,0]=4 14384 B11R0.109 CC(C)C(=O)COC[C@H](F)CN 34a_100015665980_100000753385 [0,2,0,0,0,0|2,0,0]=4 14385 B11R0.109 CC(C)C(=O)CSCC(O)CO 62a_100000753385_100011219619 [0,2,0,0,0,0|2,0,0]=4 14386 B11R0.109 CC(C)C(=O)CSCC(O)CO 62a_100011219619_100000753385 [0,2,0,0,0,0|2,0,0]=4 14387 B11R0.109 CC(C)C(=O)CSC[C@@H](C)CO 62a_100000059175_100000753385 [0,2,0,0,0,0|2,0,0]=4 14388 B11R0.109 CC(C)C(=O)CSC[C@@H](C)CO 62a_100000753385_100000059175 [0,2,0,0,0,0|2,0,0]=4 14389 B11R0.109 CC(C)C(=O)CSC[C@@H](O)CF 62a_100000753385_100015614560 [0,2,0,0,0,0|2,0,0]=4 14390 B11R0.109 CC(C)C(=O)CSC[C@@H](O)CF 62a_100015614560_100000753385 [0,2,0,0,0,0|2,0,0]=4 14391 B11R0.109 CC(C)C(=O)CSC[C@@H](O)CO 62a_100000753385_100009815848 [0,2,0,0,0,0|2,0,0]=4 14392 B11R0.109 CC(C)C(=O)CSC[C@@H](O)CO 62a_100009815848_100000753385 [0,2,0,0,0,0|2,0,0]=4 14393 B11R0.109 CC(CN)COCC(=O)C(C)C 34a_100000744482_100000753385 [0,2,0,0,0,0|2,0,0]=4 14394 B11R0.109 CC(CO)CCNC(=O)C(C)C 240690a_106354213184_100000210198 [0,2,0,0,0,0|2,0,0]=4 14395 B11R0.109 CC(CO)CCNC(=O)C(C)C 527a_106354213184_100000210198 [0,2,0,0,0,0|2,0,0]=4 14396 B11R0.109 CC(CO)CCNC(=O)C(C)F 240690a_106354213184_100000062450 [0,2,0,0,0,0|2,0,0]=4 14397 B11R0.109 CC(CO)CCNC(=O)C(C)F 527a_106354213184_100000062450 [0,2,0,0,0,0|2,0,0]=4 14398 B11R0.109 CC(CO)CCNC(=O)[C@@H](C)O 240690a_106354213184_100000717761 [0,2,0,0,0,0|2,0,0]=4 14399 B11R0.109 CC(CO)CCNC(=O)[C@H](C)O 240690a_106354213184_217856618621 [0,2,0,0,0,0|2,0,0]=4 14400 B11R0.109 CC(CO)CNCC(=O)C(C)C 34a_100000744482_100000753385 [0,2,0,0,0,0|2,0,0]=4 14401 B11R0.109 CCC(=O)CCCC(=O)N(C)C 1458a_100000210414_100000737642 [0,2,0,0,0,0|1,0,1]=4 14402 B11R0.109 CCC(=O)COCC(=O)C(C)C 34a_100000725409_100000753385 [0,2,0,0,0,0|1,0,1]=4 14403 B11R0.109 CCC(=O)COCC(C)C(=O)C 7a_100000032740_100000747405 [0,2,0,0,0,0|1,0,1]=4 14404 B11R0.109 CCC(=O)CSCC(=O)C(C)C 62a_100000747405_100000753385 [0,2,0,0,0,0|1,0,1]=4 14405 B11R0.109 CCC(=O)CSCC(=O)C(C)C 62a_100000753385_100000747405 [0,2,0,0,0,0|1,0,1]=4 14406 B11R0.109 CCC(=O)NCCN(C)C(C)C 1626a_100000749581_100000210414 [0,2,0,0,0,0|2,0,0]=4 14407 B11R0.109 CCC(=O)NCCN(C)C(C)C 240690a_100000749581_100000210414 [0,2,0,0,0,0|2,0,0]=4 14408 B11R0.109 CCC(=O)NCCN(C)C(C)C 527a_100000749581_100000210414 [0,2,0,0,0,0|2,0,0]=4 14409 B11R0.109 CCC(C)CCNC(=O)C(C)C 11a_100020591266_100000210198 [0,2,0,0,0,0|1,0,0]=3 14410 B11R0.109 CCC(C)CCNC(=O)C(C)C 1626a_100020591266_100000210198 [0,2,0,0,0,0|1,0,0]=3 14411 B11R0.109 CCC(C)CCNC(=O)C(C)C 240690a_100020591266_100000210198 [0,2,0,0,0,0|1,0,0]=3 14412 B11R0.109 CCC(C)CCNC(=O)C(C)C 527a_100020591266_100000210198 [0,2,0,0,0,0|1,0,0]=3 14413 B11R0.109 CCC(C)CCNC(=O)C(C)F 11a_100020591266_100000062450 [0,2,0,0,0,0|1,0,0]=3 14414 B11R0.109 CCC(C)CCNC(=O)C(C)F 1626a_100020591266_100000062450 [0,2,0,0,0,0|1,0,0]=3 14415 B11R0.109 CCC(C)CCNC(=O)C(C)F 240690a_100020591266_100000062450 [0,2,0,0,0,0|1,0,0]=3 14416 B11R0.109 CCC(C)CCNC(=O)C(C)F 527a_100020591266_100000062450 [0,2,0,0,0,0|1,0,0]=3 14417 B11R0.109 CCC(C)CCNC(=O)C(F)F 11a_100020591266_100000210393 [0,2,0,0,0,0|2,0,0]=4 14418 B11R0.109 CCC(C)CCNC(=O)C(F)F 1626a_100020591266_100000210393 [0,2,0,0,0,0|2,0,0]=4 14419 B11R0.109 CCC(C)CCNC(=O)C(F)F 240690a_100020591266_100000210393 [0,2,0,0,0,0|2,0,0]=4 14420 B11R0.109 CCC(C)CCNC(=O)C(F)F 527a_100020591266_100000210393 [0,2,0,0,0,0|2,0,0]=4 14421 B11R0.109 CCC(C)CCNC(=O)C(O)O 240690a_100020591266_100000233687 [0,2,0,0,0,0|2,0,0]=4 14422 B11R0.109 CCC(C)CCNC(=O)N(C)C 2708a_100020591266_100102631434 [0,2,0,0,0,0|2,0,0]=4 14423 B11R0.109 CCC(C)CCNC(=O)[C@@H](C)O 240690a_100020591266_100000717761 [0,2,0,0,0,0|1,0,0]=3 14424 B11R0.109 CCC(C)CCNC(=O)[C@H](C)O 1626a_100020591266_217856618621 [0,2,0,0,0,0|1,0,0]=3 14425 B11R0.109 CCC(C)CCNC(=O)[C@H](C)O 240690a_100020591266_217856618621 [0,2,0,0,0,0|1,0,0]=3 14426 B11R0.109 CCC(C)CNCC(=O)C(C)C 2230a_100020588543_100000753385 [0,2,0,0,0,0|1,0,0]=3 14427 B11R0.109 CCC(C)CNCC(=O)N(C)C 2230a_100015183351_100000748023 [0,2,0,0,0,0|2,0,0]=4 14428 B11R0.109 CCC(C)CNCC(=O)N(C)C 2230a_100020588543_100000185267 [0,2,0,0,0,0|2,0,0]=4 14429 B11R0.109 CCC(C)CNCC(=O)N(C)C 270004a_100015183351_100000243153 [0,2,0,0,0,0|2,0,0]=4 14430 B11R0.109 CCC(C)CSCC(=O)C(=O)C 62a_100000748023_100011261029 [0,2,0,0,0,0|1,0,1]=4 14431 B11R0.109 CCC(C)CSCC(=O)C(=O)C 62a_100011261029_100000748023 [0,2,0,0,0,0|1,0,1]=4 14432 B11R0.109 CCC(C)CSCC(=O)C(C)C 62a_100000748023_100000753385 [0,2,0,0,0,0|1,0,0]=3 14433 B11R0.109 CCC(C)CSCC(=O)C(C)C 62a_100000753385_100000748023 [0,2,0,0,0,0|1,0,0]=3 14434 B11R0.109 CCC(C)CSCC(=O)N(C)C 62a_100000692301_100000748023 [0,2,0,0,0,0|2,0,0]=4 14435 B11R0.109 CCC(C)CSCC(=O)N(C)C 62a_100000748023_100000692301 [0,2,0,0,0,0|2,0,0]=4 14436 B11R0.109 CCC(C)NCCC(=O)N(C)C 2230a_100000209981_100000737620 [0,2,0,0,0,0|2,0,0]=4 14437 B11R0.109 CCC(C)NCCC(=O)N(C)C 2230a_100000738053_100000758301 [0,2,0,0,0,0|2,0,0]=4 14438 B11R0.109 CCC(C)OCCC(=O)N(C)C 34a_200000747469_100011215416 [0,2,0,0,0,0|2,0,0]=4 14439 B11R0.109 CCC(C)OCCC(=O)N(C)C 7a_100000210228_100000737620 [0,2,0,0,0,0|2,0,0]=4 14440 B11R0.109 CCC(C)SCCC(=O)N(C)C 62a_100000737620_100000758301 [0,2,0,0,0,0|2,0,0]=4 14441 B11R0.109 CCC(C)SCCC(=O)N(C)C 62a_100000758301_100000737620 [0,2,0,0,0,0|2,0,0]=4 14442 B11R0.109 CCC(C)SCOC(=O)C(C)C 62a_100000139345_100000758301 [0,2,0,0,0,0|2,0,0]=4 14443 B11R0.109 CCC(C)SCOC(=O)C(C)C 62a_100000758301_100000139345 [0,2,0,0,0,0|2,0,0]=4 14444 B11R0.109 CCC(O)CNCC(=O)C(C)C 2230a_100011218483_100000753385 [0,2,0,0,0,0|1,0,0]=3 14445 B11R0.109 CCC(O)CNCC(=O)N(C)C 2230a_100011218483_100000185267 [0,2,0,0,0,0|2,0,0]=4 14446 B11R0.109 CCC(O)CNCC(=O)N(C)C 2230a_100015183351_100011218378 [0,2,0,0,0,0|2,0,0]=4 14447 B11R0.109 CCC(O)CNNC(=O)C(C)C 22a_100015206393_100000210198 [0,2,0,0,0,0|2,0,0]=4 14448 B11R0.109 CCC(O)CNNC(=O)C(C)F 22a_100015206393_100000062450 [0,2,0,0,0,0|2,0,0]=4 14449 B11R0.109 CCC(O)CNNC(=O)[C@@H](C)O 22a_100015206393_100000717761 [0,2,0,0,0,0|2,0,0]=4 14450 B11R0.109 CCC(O)CNNC(=O)[C@H](C)O 22a_100015206393_217856618621 [0,2,0,0,0,0|2,0,0]=4 14451 B11R0.109 CCC(O)CSCC(=O)C(=O)C 62a_100011218378_100011261029 [0,2,0,0,0,0|1,0,1]=4 14452 B11R0.109 CCC(O)CSCC(=O)C(=O)C 62a_100011261029_100011218378 [0,2,0,0,0,0|1,0,1]=4 14453 B11R0.109 CCC(O)CSCC(=O)C(C)C 62a_100000753385_100011218378 [0,2,0,0,0,0|1,0,0]=3 14454 B11R0.109 CCC(O)CSCC(=O)C(C)C 62a_100011218378_100000753385 [0,2,0,0,0,0|1,0,0]=3 14455 B11R0.109 CCC(O)CSCC(=O)N(C)C 62a_100000692301_100011218378 [0,2,0,0,0,0|2,0,0]=4 14456 B11R0.109 CCC(O)CSCC(=O)N(C)C 62a_100011218378_100000692301 [0,2,0,0,0,0|2,0,0]=4 14457 B11R0.109 CCN(C)CCCC(=O)C(C)C 1458a_100000210198_100015186262 [0,2,0,0,0,0|1,0,0]=3 14458 B11R0.109 CCN(C)CCCC(=O)C(C)F 1458a_100000062450_100015186262 [0,2,0,0,0,0|1,0,0]=3 14459 B11R0.109 CCN(C)CCCC(=O)C(O)O 1458a_100000233687_100015186262 [0,2,0,0,0,0|2,0,0]=4 14460 B11R0.109 CCN(C)CCCC(=O)N(C)C 2230a_100000225621_100000737642 [0,2,0,0,0,0|2,0,0]=4 14461 B11R0.109 CCN(C)CCCC(=O)N(C)C 269982a_100000225621_100000737642 [0,2,0,0,0,0|2,0,0]=4 14462 B11R0.109 CCN(C)CCCC(=O)[C@@H](C)O 1458a_100000717761_100015186262 [0,2,0,0,0,0|1,0,0]=3 14463 B11R0.109 CCN(C)CCCC(=O)[C@H](C)O 1458a_217856618621_100015186262 [0,2,0,0,0,0|1,0,0]=3 14464 B11R0.109 CC[C@H](C)CNCC(=O)N(C)C 2230a_100015183351_100009816398 [0,2,0,0,0,0|2,0,0]=4 14465 B11R0.109 CC[C@H](C)COCC(=O)C(C)C 7a_100009816381_100000753385 [0,2,0,0,0,0|1,0,0]=3 14466 B11R0.109 CC[C@H](C)COCC(=O)N(C)C 7a_100009816381_100000692301 [0,2,0,0,0,0|2,0,0]=4 14467 B11R0.109 CC[C@H](C)CSCC(=O)C(=O)C 62a_100009816398_100011261029 [0,2,0,0,0,0|1,0,1]=4 14468 B11R0.109 CC[C@H](C)CSCC(=O)C(=O)C 62a_100011261029_100009816398 [0,2,0,0,0,0|1,0,1]=4 14469 B11R0.109 CC[C@H](C)CSCC(=O)C(C)C 62a_100000753385_100009816398 [0,2,0,0,0,0|1,0,0]=3 14470 B11R0.109 CC[C@H](C)CSCC(=O)C(C)C 62a_100009816398_100000753385 [0,2,0,0,0,0|1,0,0]=3 14471 B11R0.109 CC[C@H](C)CSCC(=O)N(C)C 62a_100000692301_100009816398 [0,2,0,0,0,0|2,0,0]=4 14472 B11R0.109 CC[C@H](C)CSCC(=O)N(C)C 62a_100009816398_100000692301 [0,2,0,0,0,0|2,0,0]=4 14473 B11R0.109 CNC(=O)CCCC(=O)C(C)C 1458a_100000210198_100000741757 [0,2,0,0,0,0|1,0,1]=4 14474 B11R0.109 CNC(=O)CCCC(=O)C(C)F 1458a_100000062450_100000741757 [0,2,0,0,0,0|1,0,1]=4 14475 B11R0.109 CNC(=O)CCCC(=O)[C@@H](C)O 1458a_100000717761_100000741757 [0,2,0,0,0,0|1,0,1]=4 14476 B11R0.109 CNC(=O)CCCC(=O)[C@H](C)O 1458a_217856618621_100000741757 [0,2,0,0,0,0|1,0,1]=4 14477 B11R0.109 CNC(=O)CCCN(C)C(C)C 269982a_200000211004_100000741757 [0,2,0,0,0,0|2,0,0]=4 14478 B11R0.109 CNC(=O)CCNC(C)C(C)C 2230a_100000211541_100000737683 [0,2,0,0,0,0|2,0,0]=4 14479 B11R0.109 CNC(=O)CCOC(C)C(C)C 7a_100000748068_100000737683 [0,2,0,0,0,0|2,0,0]=4 14480 B11R0.109 CNC(=O)CNCC(O)C(C)C 2230a_100000759067_100000183359 [0,2,0,0,0,0|2,0,0]=4 14481 B11R0.109 CNC(=O)CNCC(O)C(C)C 34a_100000759067_100000183359 [0,2,0,0,0,0|2,0,0]=4 14482 B11R0.109 CNC(=O)COC[C@H](N)C(C)C 34a_100011830312_100000183359 [0,2,0,0,0,0|2,0,0]=4 14483 B11R0.109 COC(=O)CCCC(=O)C(C)C 1458a_100000210198_100011218270 [0,2,0,0,0,0|1,0,1]=4 14484 B11R0.109 COC(=O)CCCC(=O)C(C)C 1458a_100000239890_100000210206 [0,2,0,0,0,0|1,0,1]=4 14485 B11R0.109 COC(=O)CCCC(=O)C(C)F 1458a_100000062450_100011218270 [0,2,0,0,0,0|1,0,1]=4 14486 B11R0.109 COC(=O)CCCC(=O)[C@@H](C)O 1458a_100000717761_100011218270 [0,2,0,0,0,0|1,0,1]=4 14487 B11R0.109 COC(=O)CCCC(=O)[C@H](C)O 1458a_217856618621_100011218270 [0,2,0,0,0,0|1,0,1]=4 14488 B11R0.109 COC(=O)CCCN(C)C(C)C 269982a_100000739225_100000210206 [0,2,0,0,0,0|2,0,0]=4 14489 B11R0.109 COC(=O)CCCN(C)C(C)C 269982a_200000211004_100011218270 [0,2,0,0,0,0|2,0,0]=4 14490 B11R0.109 COC(=O)CCNC(C)C(C)C 2230a_100000211541_100000204255 [0,2,0,0,0,0|2,0,0]=4 14491 B11R0.109 COC(=O)CCOC(C)C(C)C 7a_100000748068_100000204255 [0,2,0,0,0,0|2,0,0]=4 14492 B11R0.109 COC(=O)CNCC(O)C(C)C 2230a_100000759067_100000747449 [0,2,0,0,0,0|2,0,0]=4 14493 B11R0.109 COC(=O)CNCC(O)C(C)C 34a_100000759067_100000747449 [0,2,0,0,0,0|2,0,0]=4 14494 B11R0.109 COC(=O)COC[C@H](N)C(C)C 34a_100011830312_100000747449 [0,2,0,0,0,0|2,0,0]=4 14495 B11R0.109 COC(C)COCC(=O)C(C)C 34a_100000690652_100000753385 [0,2,0,0,0,0|2,0,0]=4 14496 B11R0.109 CO[C@H](C)CNCC(=O)C(C)C 2230a_100020591295_100000753385 [0,2,0,0,0,0|2,0,0]=4 14497 B11R0.114 CCC(=O)CCCCC(F)(F)F 1458a_100000210414_100000692467 [0,2,0,0,0,0|1,0,0]=3 14498 B11R0.114 CCC(=O)CCOCC(F)(F)F 1458a_100000210414_200011259466 [0,2,0,0,0,0|2,0,0]=4 14499 B11R0.114 CCC(=O)COCCC(C)(C)C 34a_100000725409_100000755188 [0,2,0,0,0,0|1,0,0]=3 14500 B11R0.114 CCC(=O)COCCC(C)(C)C 7a_100000765024_100000747405 [0,2,0,0,0,0|1,0,0]=3 14501 B11R0.114 CCC(=O)COCCC(C)(C)O 34a_100000725409_100000702414 [0,2,0,0,0,0|1,0,0]=3 14502 B11R0.114 CCC(=O)COCCC(F)(F)F 34a_100000725409_100011219754 [0,2,0,0,0,0|2,0,0]=4 14503 B11R0.114 CCC(=O)COCCS(=O)(=O)C 34a_100000725409_100000731031 [0,2,0,0,0,0|2,0,0]=4 14504 B11R0.114 CCC(=O)COCCS(=O)(=O)C 7a_100000211924_100000747405 [0,2,0,0,0,0|2,0,0]=4 14505 B11R0.114 CCC(=O)COCC[N+](C)(C)C 34a_100000725409_100000085578 [0,2,0,0,0,0|2,0,0]=4 14506 B11R0.114 CCC(=O)COCC[N+](C)(C)C 7a_200020618287_100000747405 [0,2,0,0,0,0|2,0,0]=4 14507 B11R0.114 CCC(=O)COCC[Si](C)(C)C 1458a_100000210414_100000032501 [0,2,0,0,0,0|1,1,0]=4 14508 B11R0.114 CCC(=O)COCC[Si](C)(C)C 34a_100000725409_200000733723 [0,2,0,0,0,0|1,1,0]=4 14509 B11R0.114 CCC(=O)COCC[Si](C)(C)C 7a_100000039746_100000747405 [0,2,0,0,0,0|1,1,0]=4 14510 B11R0.114 CCC(=O)CSCCC(C)(C)C 62a_100000747405_100000755188 [0,2,0,0,0,0|1,0,0]=3 14511 B11R0.114 CCC(=O)CSCCC(C)(C)C 62a_100000755188_100000747405 [0,2,0,0,0,0|1,0,0]=3 14512 B11R0.114 CCC(=O)CSCCC(C)(C)O 62a_100000702414_100000747405 [0,2,0,0,0,0|1,0,0]=3 14513 B11R0.114 CCC(=O)CSCCC(C)(C)O 62a_100000747405_100000702414 [0,2,0,0,0,0|1,0,0]=3 14514 B11R0.114 CCC(=O)CSCCC(F)(F)F 62a_100000747405_100011219754 [0,2,0,0,0,0|2,0,0]=4 14515 B11R0.114 CCC(=O)CSCCC(F)(F)F 62a_100011219754_100000747405 [0,2,0,0,0,0|2,0,0]=4 14516 B11R0.114 CCC(=O)CSCCS(=O)(=O)C 62a_100000731031_100000747405 [0,2,0,0,0,0|2,0,0]=4 14517 B11R0.114 CCC(=O)CSCCS(=O)(=O)C 62a_100000747405_100000230027 [0,2,0,0,0,0|2,0,0]=4 14518 B11R0.114 CCC(=O)CSCC[N+](C)(C)C 62a_100000085578_100000747405 [0,2,0,0,0,0|2,0,0]=4 14519 B11R0.114 CCC(=O)CSCC[N+](C)(C)C 62a_100000747405_100000085578 [0,2,0,0,0,0|2,0,0]=4 14520 B11R0.114 CCC(=O)CSCC[Si](C)(C)C 62a_100000747405_200000733723 [0,2,0,0,0,0|1,1,0]=4 14521 B11R0.114 CCC(=O)CSCC[Si](C)(C)C 62a_200000733723_100000747405 [0,2,0,0,0,0|1,1,0]=4 14522 B11R0.114 CCC(=O)NCCCC(F)(F)F 11a_100000727188_100000210414 [0,2,0,0,0,0|2,0,0]=4 14523 B11R0.114 CCC(=O)NCCCC(F)(F)F 1626a_100000727188_100000210414 [0,2,0,0,0,0|2,0,0]=4 14524 B11R0.114 CCC(=O)NCCCC(F)(F)F 240690a_100000727188_100000210414 [0,2,0,0,0,0|2,0,0]=4 14525 B11R0.114 CCC(=O)NCCCC(F)(F)F 527a_100000727188_100000210414 [0,2,0,0,0,0|2,0,0]=4 14526 B11R0.114 CCC(=O)NCCCS(=O)(=O)C 11a_100000742409_100000210414 [0,2,0,0,0,0|2,0,0]=4 14527 B11R0.114 CCC(=O)NCCCS(=O)(=O)C 1626a_100000742409_100000210414 [0,2,0,0,0,0|2,0,0]=4 14528 B11R0.114 CCC(=O)NCCCS(=O)(=O)C 240690a_100000742409_100000210414 [0,2,0,0,0,0|2,0,0]=4 14529 B11R0.114 CCC(=O)NCCCS(=O)(=O)C 527a_100000742409_100000210414 [0,2,0,0,0,0|2,0,0]=4 14530 B11R0.114 CCC(=O)NCCC[Si](C)(C)C 1626a_100000725946_100000210414 [0,2,0,0,0,0|1,1,0]=4 14531 B11R0.114 CCC(=O)NCCC[Si](C)(C)C 240690a_100000725946_100000210414 [0,2,0,0,0,0|1,1,0]=4 14532 B11R0.114 CCC(=O)NCCC[Si](C)(C)C 527a_100000725946_100000210414 [0,2,0,0,0,0|1,1,0]=4 14533 B11R0.114 CCC(=O)NCCNC(C)(C)C 34a_100132302217_100000210625 [0,2,0,0,0,0|2,0,0]=4 14534 B11R0.114 CCC(=O)NCCOC(C)(C)C 11a_100000747557_100000210414 [0,2,0,0,0,0|2,0,0]=4 14535 B11R0.114 CCC(=O)NCCOC(C)(C)C 1626a_100000747557_100000210414 [0,2,0,0,0,0|2,0,0]=4 14536 B11R0.114 CCC(=O)NCCOC(C)(C)C 240690a_100000747557_100000210414 [0,2,0,0,0,0|2,0,0]=4 14537 B11R0.114 CCC(=O)NCCOC(C)(C)C 34a_200000158885_100000210625 [0,2,0,0,0,0|2,0,0]=4 14538 B11R0.114 CCC(=O)NCCOC(C)(C)C 527a_100000747557_100000210414 [0,2,0,0,0,0|2,0,0]=4 14539 B11R0.114 CCC(=O)NCCSC(C)(C)C 11a_100000689375_100000210414 [0,2,0,0,0,0|2,0,0]=4 14540 B11R0.114 CCC(=O)NCCSC(C)(C)C 1626a_100000689375_100000210414 [0,2,0,0,0,0|2,0,0]=4 14541 B11R0.114 CCC(=O)NCCSC(C)(C)C 240690a_100000689375_100000210414 [0,2,0,0,0,0|2,0,0]=4 14542 B11R0.114 CCC(=O)NCCSC(C)(C)C 527a_100000689375_100000210414 [0,2,0,0,0,0|2,0,0]=4 14543 B11R0.114 CNC(=O)CCCNC(C)(C)C 2230a_100000715429_100000741757 [0,2,0,0,0,0|2,0,0]=4 14544 B11R0.114 CNC(=O)CCCNC(C)(C)C 34a_100000740002_100000210625 [0,2,0,0,0,0|2,0,0]=4 14545 B11R0.114 CNC(=O)CCCOC(C)(C)C 34a_100015890283_100000741757 [0,2,0,0,0,0|2,0,0]=4 14546 B11R0.114 CNC(=O)CCCOC(C)(C)C 7a_100015890283_100000741757 [0,2,0,0,0,0|2,0,0]=4 14547 B11R0.114 CNC(=O)CCCSC(C)(C)C 62a_100000211941_100000741757 [0,2,0,0,0,0|2,0,0]=4 14548 B11R0.114 CNC(=O)CCCSC(C)(C)C 62a_100000741757_100000211941 [0,2,0,0,0,0|2,0,0]=4 14549 B11R0.114 CNC(=O)CCNCC(C)(C)C 2230a_100000743828_100000737683 [0,2,0,0,0,0|2,0,0]=4 14550 B11R0.114 CNC(=O)CCNCC(C)(C)C 270004a_100000738227_100011204126 [0,2,0,0,0,0|2,0,0]=4 14551 B11R0.114 CNC(=O)CCNCC(C)(C)C 34a_100000738227_100011219605 [0,2,0,0,0,0|2,0,0]=4 14552 B11R0.114 CNC(=O)CCNCC(C)(C)F 2230a_100020643315_100000737683 [0,2,0,0,0,0|2,0,0]=4 14553 B11R0.114 CNC(=O)CCNCC(C)(C)F 34a_100000738227_100011997219 [0,2,0,0,0,0|2,0,0]=4 14554 B11R0.114 CNC(=O)CCNCC(C)(C)O 2230a_100000751335_100000737683 [0,2,0,0,0,0|2,0,0]=4 14555 B11R0.114 CNC(=O)CCNCC(C)(C)O 34a_100000738227_100000764493 [0,2,0,0,0,0|2,0,0]=4 14556 B11R0.114 CNC(=O)CCOCC(C)(C)C 34a_100000754576_100011219605 [0,2,0,0,0,0|2,0,0]=4 14557 B11R0.114 CNC(=O)CCOCC(C)(C)F 34a_100000716592_100012179268 [0,2,0,0,0,0|2,0,0]=4 14558 B11R0.114 CNC(=O)CCOCC(C)(C)F 34a_100000754576_100011997219 [0,2,0,0,0,0|2,0,0]=4 14559 B11R0.114 CNC(=O)CCOCC(C)(C)O 34a_100000754576_100000764493 [0,2,0,0,0,0|2,0,0]=4 14560 B11R0.114 CNC(=O)CCOCC(C)(F)F 34a_100000068830_100012179268 [0,2,0,0,0,0|2,0,0]=4 14561 B11R0.114 CNC(=O)CCSCC(C)(C)C 62a_100000737683_100011219605 [0,2,0,0,0,0|2,0,0]=4 14562 B11R0.114 CNC(=O)CCSCC(C)(C)C 62a_100011219605_100000737683 [0,2,0,0,0,0|2,0,0]=4 14563 B11R0.114 CNC(=O)CCSCC(C)(C)F 62a_100000737683_100011997219 [0,2,0,0,0,0|2,0,0]=4 14564 B11R0.114 CNC(=O)CCSCC(C)(C)F 62a_100011997219_100000737683 [0,2,0,0,0,0|2,0,0]=4 14565 B11R0.114 CNC(=O)CCSCC(C)(C)O 62a_100000737683_100000764493 [0,2,0,0,0,0|2,0,0]=4 14566 B11R0.114 CNC(=O)CCSCC(C)(C)O 62a_100000764493_100000737683 [0,2,0,0,0,0|2,0,0]=4 14567 B11R0.114 CNC(=O)CNCCC(C)(C)C 2230a_100000693194_100000755188 [0,2,0,0,0,0|2,0,0]=4 14568 B11R0.114 CNC(=O)CNCCC(C)(C)C 2230a_100000738805_100000183359 [0,2,0,0,0,0|2,0,0]=4 14569 B11R0.114 CNC(=O)CNCCC(C)(C)F 2230a_100016253952_100000183359 [0,2,0,0,0,0|2,0,0]=4 14570 B11R0.114 CNC(=O)CNCCC(C)(C)O 2230a_100000693194_100000702414 [0,2,0,0,0,0|2,0,0]=4 14571 B11R0.114 CNC(=O)COCCC(C)(C)C 34a_100000750040_100000755188 [0,2,0,0,0,0|2,0,0]=4 14572 B11R0.114 CNC(=O)COCCC(C)(C)C 7a_100000765024_100000183359 [0,2,0,0,0,0|2,0,0]=4 14573 B11R0.114 CNC(=O)COCCC(C)(C)O 34a_100000750040_100000702414 [0,2,0,0,0,0|2,0,0]=4 14574 B11R0.114 CNC(=O)CSCCC(C)(C)C 62a_100000183359_100000755188 [0,2,0,0,0,0|2,0,0]=4 14575 B11R0.114 CNC(=O)CSCCC(C)(C)C 62a_100000755188_100000183359 [0,2,0,0,0,0|2,0,0]=4 14576 B11R0.114 CNC(=O)CSCCC(C)(C)O 62a_100000183359_100000702414 [0,2,0,0,0,0|2,0,0]=4 14577 B11R0.114 CNC(=O)CSCCC(C)(C)O 62a_100000702414_100000183359 [0,2,0,0,0,0|2,0,0]=4 14578 B11R0.114 COC(=O)CCCNC(C)(C)C 2230a_100000715429_100011218270 [0,2,0,0,0,0|2,0,0]=4 14579 B11R0.114 COC(=O)CCCOC(C)(C)C 34a_100015890283_100000742333 [0,2,0,0,0,0|2,0,0]=4 14580 B11R0.114 COC(=O)CCCOC(C)(C)C 7a_100015890283_100011218270 [0,2,0,0,0,0|2,0,0]=4 14581 B11R0.114 COC(=O)CCCSC(C)(C)C 62a_100000211941_100011218270 [0,2,0,0,0,0|2,0,0]=4 14582 B11R0.114 COC(=O)CCCSC(C)(C)C 62a_100011218270_100000211941 [0,2,0,0,0,0|2,0,0]=4 14583 B11R0.114 COC(=O)CCNCC(C)(C)C 2230a_100000743828_100000204255 [0,2,0,0,0,0|2,0,0]=4 14584 B11R0.114 COC(=O)CCNCC(C)(C)F 2230a_100020643315_100000204255 [0,2,0,0,0,0|2,0,0]=4 14585 B11R0.114 COC(=O)CCNCC(C)(C)O 2230a_100000751335_100000204255 [0,2,0,0,0,0|2,0,0]=4 14586 B11R0.114 COC(=O)CCOCC(C)(C)F 34a_100000716592_100000742370 [0,2,0,0,0,0|2,0,0]=4 14587 B11R0.114 COC(=O)CCOCC(C)(F)F 34a_100000068830_100000742370 [0,2,0,0,0,0|2,0,0]=4 14588 B11R0.114 COC(=O)CCSCC(C)(C)C 62a_100000204255_100011219605 [0,2,0,0,0,0|2,0,0]=4 14589 B11R0.114 COC(=O)CCSCC(C)(C)C 62a_100011219605_100000204255 [0,2,0,0,0,0|2,0,0]=4 14590 B11R0.114 COC(=O)CCSCC(C)(C)F 62a_100000204255_100011997219 [0,2,0,0,0,0|2,0,0]=4 14591 B11R0.114 COC(=O)CCSCC(C)(C)F 62a_100011997219_100000204255 [0,2,0,0,0,0|2,0,0]=4 14592 B11R0.114 COC(=O)CCSCC(C)(C)O 62a_100000204255_100000764493 [0,2,0,0,0,0|2,0,0]=4 14593 B11R0.114 COC(=O)CCSCC(C)(C)O 62a_100000764493_100000204255 [0,2,0,0,0,0|2,0,0]=4 14594 B11R0.114 COC(=O)CNCCC(C)(C)C 2230a_100000738805_100000747449 [0,2,0,0,0,0|2,0,0]=4 14595 B11R0.114 COC(=O)CNCCC(C)(C)F 2230a_100016253952_100000747449 [0,2,0,0,0,0|2,0,0]=4 14596 B11R0.114 COC(=O)COCCC(C)(C)C 7a_100000765024_100000747449 [0,2,0,0,0,0|2,0,0]=4 14597 B11R0.114 COC(=O)CSCCC(C)(C)C 62a_100000747449_100000755188 [0,2,0,0,0,0|2,0,0]=4 14598 B11R0.114 COC(=O)CSCCC(C)(C)C 62a_100000755188_100000747449 [0,2,0,0,0,0|2,0,0]=4 14599 B11R0.114 COC(=O)CSCCC(C)(C)O 62a_100000702414_100000747449 [0,2,0,0,0,0|2,0,0]=4 14600 B11R0.114 COC(=O)CSCCC(C)(C)O 62a_100000747449_100000702414 [0,2,0,0,0,0|2,0,0]=4 14601 B11R0.114 O=C(CO)CCCCC(F)(F)F 1458a_100000210174_100000692467 [0,2,0,0,0,0|2,0,0]=4 14602 B11R0.127 CCS(=O)(=O)CCNCC(C)C 2230a_100000210953_100000756660 [0,2,0,0,0,0|2,0,0]=4 14603 B11R0.127 CCS(=O)(=O)CCNCC(C)C 2230a_100000751051_100000210760 [0,2,0,0,0,0|2,0,0]=4 14604 B11R0.127 CCS(=O)(=O)CCNCC(C)C 270004a_100000751051_100000210432 [0,2,0,0,0,0|2,0,0]=4 14605 B11R0.127 CCS(=O)(=O)CCNCC(C)C 34a_100000210953_100000756660 [0,2,0,0,0,0|2,0,0]=4 14606 B11R0.127 CCS(=O)(=O)CCNCC(C)C 34a_100000751051_100000210624 [0,2,0,0,0,0|2,0,0]=4 14607 B11R0.127 CCS(=O)(=O)CCNCC(C)O 2230a_100000210904_100000756660 [0,2,0,0,0,0|2,0,0]=4 14608 B11R0.127 CCS(=O)(=O)CCNCC(C)O 2230a_100000751051_100011218427 [0,2,0,0,0,0|2,0,0]=4 14609 B11R0.127 CCS(=O)(=O)CCNCC(C)O 34a_100000210904_100000756660 [0,2,0,0,0,0|2,0,0]=4 14610 B11R0.127 CCS(=O)(=O)CCNCC(C)O 34a_100000751051_100011218427 [0,2,0,0,0,0|2,0,0]=4 14611 B11R0.127 CCS(=O)(=O)CCNC[C@@H](C)O 2230a_100000751051_100009817552 [0,2,0,0,0,0|2,0,0]=4 14612 B11R0.127 CCS(=O)(=O)CCNC[C@@H](C)O 34a_100000751051_100009817552 [0,2,0,0,0,0|2,0,0]=4 14613 B11R0.127 CCS(=O)(=O)CCOCC(C)Br 34a_100012180447_100000756660 [0,2,0,0,0,0|2,0,0]=4 14614 B11R0.127 CCS(=O)(=O)CCOCC(C)C 34a_100000210257_100000756660 [0,2,0,0,0,0|2,0,0]=4 14615 B11R0.127 CCS(=O)(=O)CCOCC(C)C 34a_200011216379_100000210624 [0,2,0,0,0,0|2,0,0]=4 14616 B11R0.127 CCS(=O)(=O)CCOCC(C)C 7a_200011216379_100000210760 [0,2,0,0,0,0|2,0,0]=4 14617 B11R0.127 CCS(=O)(=O)CCOCC(C)F 34a_100015925927_100000756660 [0,2,0,0,0,0|2,0,0]=4 14618 B11R0.127 CCS(=O)(=O)CCOCC(C)O 34a_200011216379_100011218427 [0,2,0,0,0,0|2,0,0]=4 14619 B11R0.127 CCS(=O)(=O)CCOCC(C)O 7a_200011216379_100011218427 [0,2,0,0,0,0|2,0,0]=4 14620 B11R0.127 CCS(=O)(=O)CCOC[C@@H](C)Cl 34a_100016084084_100000756660 [0,2,0,0,0,0|2,0,0]=4 14621 B11R0.127 CCS(=O)(=O)CCOC[C@@H](C)N 34a_100000737577_100000756660 [0,2,0,0,0,0|2,0,0]=4 14622 B11R0.127 CCS(=O)(=O)CCOC[C@@H](C)O 34a_200011216379_100009817552 [0,2,0,0,0,0|2,0,0]=4 14623 B11R0.127 CCS(=O)(=O)CCOC[C@@H](C)O 7a_200011216379_100009817552 [0,2,0,0,0,0|2,0,0]=4 14624 B11R0.127 CCS(=O)(=O)CCSCC(C)C 62a_100000210624_100000756660 [0,2,0,0,0,0|2,0,0]=4 14625 B11R0.127 CCS(=O)(=O)CCSCC(C)C 62a_100000756660_100000210760 [0,2,0,0,0,0|2,0,0]=4 14626 B11R0.127 CCS(=O)(=O)CCSCC(C)O 62a_100000756660_100011218427 [0,2,0,0,0,0|2,0,0]=4 14627 B11R0.127 CCS(=O)(=O)CCSCC(C)O 62a_100011218427_100000756660 [0,2,0,0,0,0|2,0,0]=4 14628 B11R0.127 CCS(=O)(=O)CCSC[C@@H](C)O 62a_100000756660_100009817552 [0,2,0,0,0,0|2,0,0]=4 14629 B11R0.127 CCS(=O)(=O)CCSC[C@@H](C)O 62a_100009817552_100000756660 [0,2,0,0,0,0|2,0,0]=4 14630 B11R0.127 CCS(=O)(=O)NCCCC(C)C 270084a_200000737386_100000211323 [0,2,0,0,0,0|2,0,0]=4 14631 B11R0.127 CCS(=O)(=O)NCCCC(C)C 274078a_200000737386_100000211323 [0,2,0,0,0,0|2,0,0]=4 14632 B11R0.127 CCS(=O)(=O)NCCCC(C)C 40a_200000737386_100000053943 [0,2,0,0,0,0|2,0,0]=4 14633 B11R0.145 C=C(C)CCSC(C)C(=O)CC 62a_100000730704_100000742827 [0,2,0,0,0,0|1,0,1]=4 14634 B11R0.145 C=C(C)CCSC(C)C(=O)CC 62a_100000742827_100000730704 [0,2,0,0,0,0|1,0,1]=4 14635 B11R0.145 CCC(=O)C(C)NCCC(C)O 2230a_200000755665_100000742827 [0,2,0,0,0,0|1,0,0]=3 14636 B11R0.145 CCC(=O)C(C)OCCC(=O)C 7a_100000759926_100000742827 [0,2,0,0,0,0|1,0,1]=4 14637 B11R0.145 CCC(=O)C(C)OCCC(C)C 7a_100000210254_100000742827 [0,2,0,0,0,0|1,0,0]=3 14638 B11R0.145 CCC(=O)C(C)SCCC(=O)C 62a_100000053229_100000742827 [0,2,0,0,0,0|1,0,1]=4 14639 B11R0.145 CCC(=O)C(C)SCCC(=O)C 62a_100000742827_100000053229 [0,2,0,0,0,0|1,0,1]=4 14640 B11R0.145 CCC(=O)C(C)SCCC(C)C 62a_100000210312_100000742827 [0,2,0,0,0,0|1,0,0]=3 14641 B11R0.145 CCC(=O)C(C)SCCC(C)C 62a_100000742827_100000210312 [0,2,0,0,0,0|1,0,0]=3 14642 B11R0.145 CCC(=O)C(C)SCCC(C)O 62a_100000742827_100012276601 [0,2,0,0,0,0|1,0,0]=3 14643 B11R0.145 CCC(=O)C(C)SCCC(C)O 62a_100012276601_100000742827 [0,2,0,0,0,0|1,0,0]=3 14644 B11R0.145 CCC(=O)C(C)SCCN(C)C 62a_100000742827_100000755713 [0,2,0,0,0,0|2,0,0]=4 14645 B11R0.145 CCC(=O)C(C)SCOC(C)C 62a_100000709892_100000742827 [0,2,0,0,0,0|2,0,0]=4 14646 B11R0.145 CCC(=O)C(C)SCOC(C)C 62a_100000742827_100000709892 [0,2,0,0,0,0|2,0,0]=4 14647 B11R0.145 CCC(=O)N(C)CCCN(C)C 240690a_100000225831_100000210414 [0,2,0,0,0,0|2,0,0]=4 14648 B11R0.145 CNC(=O)C(=O)CCCC(C)C 1458a_100011218921_100011214892 [0,2,0,0,0,0|1,0,1]=4 14649 B11R0.145 CNC(=O)C(=O)CCCC(C)O 1458a_100011218921_200000718107 [0,2,0,0,0,0|1,0,1]=4 14650 B11R0.145 CNC(=O)C(C)CNCC(C)C 2230a_100015187722_100000210760 [0,2,0,0,0,0|2,0,0]=4 14651 B11R0.145 CNC(=O)C(C)CNCC(C)C 270004a_100015187722_100000210432 [0,2,0,0,0,0|2,0,0]=4 14652 B11R0.145 CNC(=O)C(C)CNCC(C)C 34a_100015187722_100000210624 [0,2,0,0,0,0|2,0,0]=4 14653 B11R0.145 CNC(=O)C(C)CNCC(C)O 2230a_100015187722_100011218427 [0,2,0,0,0,0|2,0,0]=4 14654 B11R0.145 CNC(=O)C(C)CNCC(C)O 34a_100015187722_100011218427 [0,2,0,0,0,0|2,0,0]=4 14655 B11R0.145 CNC(=O)C(C)CNC[C@@H](C)O 2230a_100015187722_100009817552 [0,2,0,0,0,0|2,0,0]=4 14656 B11R0.145 CNC(=O)C(C)CNC[C@@H](C)O 34a_100015187722_100009817552 [0,2,0,0,0,0|2,0,0]=4 14657 B11R0.145 CNC(=O)C(C)NCCC(C)O 2230a_200000755665_100000731044 [0,2,0,0,0,0|2,0,0]=4 14658 B11R0.145 CNC(=O)C(C)OCCC(C)Br 34a_100009893172_100000731044 [0,2,0,0,0,0|2,0,0]=4 14659 B11R0.145 CNC(=O)C(C)OCCC(C)C 34a_100000210254_100000731044 [0,2,0,0,0,0|2,0,0]=4 14660 B11R0.145 CNC(=O)C(C)OCCC(C)C 7a_100000210254_100000209862 [0,2,0,0,0,0|2,0,0]=4 14661 B11R0.145 CNC(=O)C(C)OCC[C@@H](C)N 34a_100000706166_100000731044 [0,2,0,0,0,0|2,0,0]=4 14662 B11R0.145 CNC(=O)C(C)SCCC(C)C 62a_100000209862_100000210312 [0,2,0,0,0,0|2,0,0]=4 14663 B11R0.145 CNC(=O)C(C)SCCC(C)C 62a_100000210312_100000731044 [0,2,0,0,0,0|2,0,0]=4 14664 B11R0.145 CNC(=O)C(C)SCCC(C)O 62a_100000209862_100012276601 [0,2,0,0,0,0|2,0,0]=4 14665 B11R0.145 CNC(=O)C(C)SCCC(C)O 62a_100012276601_100000731044 [0,2,0,0,0,0|2,0,0]=4 14666 B11R0.145 CNC(=O)C(F)NCCC(C)O 2230a_200000755665_100009813575 [0,2,0,0,0,0|2,0,0]=4 14667 B11R0.145 CNC(=O)C(F)OCCC(C)Br 34a_100009893172_100009813575 [0,2,0,0,0,0|2,0,0]=4 14668 B11R0.145 CNC(=O)C(F)OCCC(C)C 34a_100000210254_100009813575 [0,2,0,0,0,0|2,0,0]=4 14669 B11R0.145 CNC(=O)C(F)OCCC(C)C 7a_100000210254_100009813575 [0,2,0,0,0,0|2,0,0]=4 14670 B11R0.145 CNC(=O)C(F)OCC[C@@H](C)N 34a_100000706166_100009813575 [0,2,0,0,0,0|2,0,0]=4 14671 B11R0.145 CNC(=O)C(F)SCCC(C)C 62a_100000210312_100009813575 [0,2,0,0,0,0|2,0,0]=4 14672 B11R0.145 CNC(=O)C(F)SCCC(C)C 62a_100009813575_100000210312 [0,2,0,0,0,0|2,0,0]=4 14673 B11R0.145 CNC(=O)C(F)SCCC(C)O 62a_100009813575_100012276601 [0,2,0,0,0,0|2,0,0]=4 14674 B11R0.145 CNC(=O)C(F)SCCC(C)O 62a_100012276601_100009813575 [0,2,0,0,0,0|2,0,0]=4 14675 B11R0.145 CNC(=O)[C@@H](C)NCCC(C)C 2230a_100000684985_100000210312 [0,2,0,0,0,0|2,0,0]=4 14676 B11R0.145 CNC(=O)[C@@H](C)NCCC(C)C 34a_100000684985_100000210312 [0,2,0,0,0,0|2,0,0]=4 14677 B11R0.145 CNC(=O)[C@@H](C)NCCC(C)O 2230a_100000684985_100012276601 [0,2,0,0,0,0|2,0,0]=4 14678 B11R0.145 CNC(=O)[C@@H](C)NCCC(C)O 34a_100000684985_100012276601 [0,2,0,0,0,0|2,0,0]=4 14679 B11R0.145 COC(=O)C(C)CCNC(C)C 2230a_100138425928_100000034942 [0,2,0,0,0,0|2,0,0]=4 14680 B11R0.145 COC(=O)C(C)CCNC(C)C 34a_100138425928_100000034942 [0,2,0,0,0,0|2,0,0]=4 14681 B11R0.145 COC(=O)C(C)CCOC(C)C 34a_100000212225_100000034942 [0,2,0,0,0,0|2,0,0]=4 14682 B11R0.145 COC(=O)C(C)CCSC(C)C 62a_100000034942_100000210206 [0,2,0,0,0,0|2,0,0]=4 14683 B11R0.145 COC(=O)C(C)CCSC(C)C 62a_100000210206_100000034942 [0,2,0,0,0,0|2,0,0]=4 14684 B11R0.145 COC(=O)C(C)CNCC(C)C 34a_100000210953_100000698445 [0,2,0,0,0,0|2,0,0]=4 14685 B11R0.145 COC(=O)C(C)CNCC(C)O 34a_100000210904_100000698445 [0,2,0,0,0,0|2,0,0]=4 14686 B11R0.145 COC(=O)C(C)COCC(C)Br 34a_100012180447_100000698445 [0,2,0,0,0,0|2,0,0]=4 14687 B11R0.145 COC(=O)C(C)COCC(C)C 34a_100000210257_100000698445 [0,2,0,0,0,0|2,0,0]=4 14688 B11R0.145 COC(=O)C(C)COCC(C)C 34a_100000749362_100000210624 [0,2,0,0,0,0|2,0,0]=4 14689 B11R0.145 COC(=O)C(C)COCC(C)C 7a_100000749362_100000210760 [0,2,0,0,0,0|2,0,0]=4 14690 B11R0.145 COC(=O)C(C)COCC(C)F 34a_100015925927_100000698445 [0,2,0,0,0,0|2,0,0]=4 14691 B11R0.145 COC(=O)C(C)COCC(C)O 34a_100000749362_100011218427 [0,2,0,0,0,0|2,0,0]=4 14692 B11R0.145 COC(=O)C(C)COCC(C)O 7a_100000749362_100011218427 [0,2,0,0,0,0|2,0,0]=4 14693 B11R0.145 COC(=O)C(C)COC[C@@H](C)Cl 34a_100016084084_100000698445 [0,2,0,0,0,0|2,0,0]=4 14694 B11R0.145 COC(=O)C(C)COC[C@@H](C)N 34a_100000737577_100000698445 [0,2,0,0,0,0|2,0,0]=4 14695 B11R0.145 COC(=O)C(C)COC[C@@H](C)O 34a_100000749362_100009817552 [0,2,0,0,0,0|2,0,0]=4 14696 B11R0.145 COC(=O)C(C)COC[C@@H](C)O 7a_100000749362_100009817552 [0,2,0,0,0,0|2,0,0]=4 14697 B11R0.145 COC(=O)C(C)CSCC(C)C 62a_100000210624_100000698445 [0,2,0,0,0,0|2,0,0]=4 14698 B11R0.145 COC(=O)C(C)CSCC(C)C 62a_100000698445_100000210760 [0,2,0,0,0,0|2,0,0]=4 14699 B11R0.145 COC(=O)C(C)CSCC(C)O 62a_100000698445_100011218427 [0,2,0,0,0,0|2,0,0]=4 14700 B11R0.145 COC(=O)C(C)CSCC(C)O 62a_100011218427_100000698445 [0,2,0,0,0,0|2,0,0]=4 14701 B11R0.145 COC(=O)C(C)CSC[C@@H](C)O 62a_100000698445_100009817552 [0,2,0,0,0,0|2,0,0]=4 14702 B11R0.145 COC(=O)C(C)CSC[C@@H](C)O 62a_100009817552_100000698445 [0,2,0,0,0,0|2,0,0]=4 14703 B11R0.145 COC(=O)C(C)NCCC(C)O 2230a_200000755665_100000211248 [0,2,0,0,0,0|2,0,0]=4 14704 B11R0.145 COC(=O)C(C)OCCC(C)Br 34a_100009893172_100000211248 [0,2,0,0,0,0|2,0,0]=4 14705 B11R0.145 COC(=O)C(C)OCCC(C)C 34a_100000210254_100000211248 [0,2,0,0,0,0|2,0,0]=4 14706 B11R0.145 COC(=O)C(C)OCCC(C)C 34a_100011215400_100000210312 [0,2,0,0,0,0|2,0,0]=4 14707 B11R0.145 COC(=O)C(C)OCCC(C)C 7a_100000210254_100000211248 [0,2,0,0,0,0|2,0,0]=4 14708 B11R0.145 COC(=O)C(C)OCCC(C)O 34a_100011215400_100012276601 [0,2,0,0,0,0|2,0,0]=4 14709 B11R0.145 COC(=O)C(C)OCC[C@@H](C)N 34a_100000706166_100000211248 [0,2,0,0,0,0|2,0,0]=4 14710 B11R0.145 COC(=O)C(C)SCCC(C)C 62a_100000210312_100000211248 [0,2,0,0,0,0|2,0,0]=4 14711 B11R0.145 COC(=O)C(C)SCCC(C)C 62a_100000211248_100000210312 [0,2,0,0,0,0|2,0,0]=4 14712 B11R0.145 COC(=O)C(C)SCCC(C)O 62a_100000211248_100012276601 [0,2,0,0,0,0|2,0,0]=4 14713 B11R0.145 COC(=O)C(C)SCCC(C)O 62a_100012276601_100000211248 [0,2,0,0,0,0|2,0,0]=4 14714 B11R0.145 COC(=O)C(F)COCC(C)C 34a_200009849844_100000210624 [0,2,0,0,0,0|2,0,0]=4 14715 B11R0.145 COC(=O)C(F)COCC(C)O 34a_200009849844_100011218427 [0,2,0,0,0,0|2,0,0]=4 14716 B11R0.145 COC(=O)C(F)COC[C@@H](C)O 34a_200009849844_100009817552 [0,2,0,0,0,0|2,0,0]=4 14717 B11R0.145 COC(=O)[C@H](N)COCC(C)C 34a_100000003586_100000210624 [0,2,0,0,0,0|2,0,0]=4 14718 B11R0.145 COC(=O)[C@H](N)COCC(C)O 34a_100000003586_100011218427 [0,2,0,0,0,0|2,0,0]=4 14719 B11R0.145 COC(=O)[C@H](N)COC[C@@H](C)O 34a_100000003586_100009817552 [0,2,0,0,0,0|2,0,0]=4 14720 B11R0.120 CCC(=O)C(C)NCC(C)CC 2230a_100020588543_100000742827 [0,2,0,0,0,0|1,0,0]=3 14721 B11R0.120 CCC(=O)C(C)NCC(O)CC 2230a_100011218483_100000742827 [0,2,0,0,0,0|1,0,0]=3 14722 B11R0.120 CCC(=O)C(C)NC[C@@H](C)OC 2230a_100020591295_100000742827 [0,2,0,0,0,0|2,0,0]=4 14723 B11R0.120 CCC(=O)C(C)NC[C@H](O)CO 2230a_100020644852_100000742827 [0,2,0,0,0,0|2,0,0]=4 14724 B11R0.120 CCC(=O)C(C)OC[C@@H](C)CC 7a_100009816381_100000742827 [0,2,0,0,0,0|1,0,0]=3 14725 B11R0.120 CCC(=O)C(C)SCC(C)CC 62a_100000742827_100000748023 [0,2,0,0,0,0|1,0,0]=3 14726 B11R0.120 CCC(=O)C(C)SCC(C)CC 62a_100000748023_100000742827 [0,2,0,0,0,0|1,0,0]=3 14727 B11R0.120 CCC(=O)C(C)SCC(O)CC 62a_100000742827_100011218378 [0,2,0,0,0,0|1,0,0]=3 14728 B11R0.120 CCC(=O)C(C)SCC(O)CC 62a_100011218378_100000742827 [0,2,0,0,0,0|1,0,0]=3 14729 B11R0.120 CCC(=O)C(C)SCC(O)CO 62a_100000742827_100011219619 [0,2,0,0,0,0|2,0,0]=4 14730 B11R0.120 CCC(=O)C(C)SCC(O)CO 62a_100011219619_100000742827 [0,2,0,0,0,0|2,0,0]=4 14731 B11R0.120 CCC(=O)C(C)SC[C@@H](C)CC 62a_100000742827_100009816398 [0,2,0,0,0,0|1,0,0]=3 14732 B11R0.120 CCC(=O)C(C)SC[C@@H](C)CC 62a_100009816398_100000742827 [0,2,0,0,0,0|1,0,0]=3 14733 B11R0.120 CCC(=O)C(C)SC[C@@H](C)CO 62a_100000059175_100000742827 [0,2,0,0,0,0|2,0,0]=4 14734 B11R0.120 CCC(=O)C(C)SC[C@@H](C)CO 62a_100000742827_100000059175 [0,2,0,0,0,0|2,0,0]=4 14735 B11R0.120 CCC(=O)C(C)SC[C@@H](O)CF 62a_100000742827_100015614560 [0,2,0,0,0,0|2,0,0]=4 14736 B11R0.120 CCC(=O)C(C)SC[C@@H](O)CF 62a_100015614560_100000742827 [0,2,0,0,0,0|2,0,0]=4 14737 B11R0.120 CCC(=O)C(C)SC[C@@H](O)CO 62a_100000742827_100009815848 [0,2,0,0,0,0|2,0,0]=4 14738 B11R0.120 CCC(=O)C(C)SC[C@@H](O)CO 62a_100009815848_100000742827 [0,2,0,0,0,0|2,0,0]=4 14739 B11R0.120 CCC(=O)CCC(C)C(=O)OC 1458a_100000210414_100000034942 [0,2,0,0,0,0|1,0,1]=4 14740 B11R0.120 CCC(=O)CNC(=O)C(C)CC 1458a_100000743532_100000210202 [0,2,0,0,0,0|1,0,1]=4 14741 B11R0.120 CCC(=O)COC(C)C(C)CC 7a_100011215189_100000747405 [0,2,0,0,0,0|1,0,0]=3 14742 B11R0.120 CCC(=O)CSC(C)C(=O)CC 62a_100000742827_100000747405 [0,2,0,0,0,0|1,0,1]=4 14743 B11R0.120 CCC(=O)CSC(C)C(=O)CC 62a_100000747405_100000742827 [0,2,0,0,0,0|1,0,1]=4 14744 B11R0.120 CCC(=O)NCC(=O)C(C)CC 1458a_100000194589_100000758301 [0,2,0,0,0,0|1,0,1]=4 14745 B11R0.120 CCC(C)C(=O)CCC(=O)NC 1458a_100011309844_100000758301 [0,2,0,0,0,0|1,0,1]=4 14746 B11R0.120 CCC(C)C(=O)CCC(=O)OC 1458a_100000187943_100000758301 [0,2,0,0,0,0|1,0,1]=4 14747 B11R0.120 CCC(C)C(=O)CCS(=O)CC 1458a_100011387550_100000758301 [0,2,0,0,0,0|1,0,1]=4 14748 B11R0.120 CCC(C)C(C)NCC(=O)NC 269862a_100000693194_100000210599 [0,2,0,0,0,0|2,0,0]=4 14749 B11R0.120 CCC(C)C(C)NCC(=O)NC 270004a_100000693194_100000210599 [0,2,0,0,0,0|2,0,0]=4 14750 B11R0.120 CCC(C)C(C)OCC(=O)NC 7a_100011215189_100000183359 [0,2,0,0,0,0|2,0,0]=4 14751 B11R0.120 CCC(C)C(C)OCC(=O)OC 7a_100011215189_100000747449 [0,2,0,0,0,0|2,0,0]=4 14752 B11R0.120 CCC(C)CNC(C)C(=O)NC 2230a_100020588543_100000731044 [0,2,0,0,0,0|2,0,0]=4 14753 B11R0.120 CCC(C)CNC(C)C(=O)OC 2230a_100020588543_100000211248 [0,2,0,0,0,0|2,0,0]=4 14754 B11R0.120 CCC(C)CNC(F)C(=O)NC 2230a_100020588543_100009813575 [0,2,0,0,0,0|2,0,0]=4 14755 B11R0.120 CCC(C)CN[C@H](C)C(=O)NC 2230a_100000684985_100000748023 [0,2,0,0,0,0|2,0,0]=4 14756 B11R0.120 CCC(C)CN[C@H](C)C(=O)NC 34a_100000684985_100000748023 [0,2,0,0,0,0|2,0,0]=4 14757 B11R0.120 CCC(C)COC(C)C(=O)OC 34a_100011215400_100000748023 [0,2,0,0,0,0|2,0,0]=4 14758 B11R0.120 CCC(C)CSC(C)C(=O)NC 62a_100000209862_100000748023 [0,2,0,0,0,0|2,0,0]=4 14759 B11R0.120 CCC(C)CSC(C)C(=O)NC 62a_100000748023_100000731044 [0,2,0,0,0,0|2,0,0]=4 14760 B11R0.120 CCC(C)CSC(C)C(=O)OC 62a_100000211248_100000748023 [0,2,0,0,0,0|2,0,0]=4 14761 B11R0.120 CCC(C)CSC(C)C(=O)OC 62a_100000748023_100000211248 [0,2,0,0,0,0|2,0,0]=4 14762 B11R0.120 CCC(C)CSC(F)C(=O)NC 62a_100000748023_100009813575 [0,2,0,0,0,0|2,0,0]=4 14763 B11R0.120 CCC(C)CSC(F)C(=O)NC 62a_100009813575_100000748023 [0,2,0,0,0,0|2,0,0]=4 14764 B11R0.120 CCC(C)N(C)CCC(=O)NC 2230a_100000741768_100000737683 [0,2,0,0,0,0|2,0,0]=4 14765 B11R0.120 CCC(C)N(C)CCC(=O)NC 2230a_100000750875_100000758301 [0,2,0,0,0,0|2,0,0]=4 14766 B11R0.120 CCC(C)N(C)CCC(=O)NC 269982a_100000741768_100000737683 [0,2,0,0,0,0|2,0,0]=4 14767 B11R0.120 CCC(C)N(C)CCC(=O)NC 269982a_100000750875_100000758301 [0,2,0,0,0,0|2,0,0]=4 14768 B11R0.120 CCC(C)N(C)CCC(=O)OC 2230a_100000741768_100000204255 [0,2,0,0,0,0|2,0,0]=4 14769 B11R0.120 CCC(C)N(C)CCC(=O)OC 269982a_100000741768_100000204255 [0,2,0,0,0,0|2,0,0]=4 14770 B11R0.120 CCC(C)N(C)CCC(=O)OC 269982a_100025711912_100000758301 [0,2,0,0,0,0|2,0,0]=4 14771 B11R0.120 CCC(C)NCC(C)C(=O)NC 2230a_100015187722_100000758301 [0,2,0,0,0,0|2,0,0]=4 14772 B11R0.120 CCC(C)NCC(C)C(=O)NC 34a_100015187722_100011215416 [0,2,0,0,0,0|2,0,0]=4 14773 B11R0.120 CCC(C)OCC(C)C(=O)OC 34a_100000749362_100011215416 [0,2,0,0,0,0|2,0,0]=4 14774 B11R0.120 CCC(C)OCC(C)C(=O)OC 7a_100000749362_100000758301 [0,2,0,0,0,0|2,0,0]=4 14775 B11R0.120 CCC(C)OCC(F)C(=O)OC 34a_200009849844_100011215416 [0,2,0,0,0,0|2,0,0]=4 14776 B11R0.120 CCC(C)OC[C@@H](N)C(=O)OC 34a_100000003586_100011215416 [0,2,0,0,0,0|2,0,0]=4 14777 B11R0.120 CCC(C)SCC(C)C(=O)OC 62a_100000698445_100000758301 [0,2,0,0,0,0|2,0,0]=4 14778 B11R0.120 CCC(C)SCC(C)C(=O)OC 62a_100000758301_100000698445 [0,2,0,0,0,0|2,0,0]=4 14779 B11R0.120 CCC(O)CNC(C)C(=O)NC 2230a_100011218483_100000731044 [0,2,0,0,0,0|2,0,0]=4 14780 B11R0.120 CCC(O)CNC(C)C(=O)OC 2230a_100011218483_100000211248 [0,2,0,0,0,0|2,0,0]=4 14781 B11R0.120 CCC(O)CNC(F)C(=O)NC 2230a_100011218483_100009813575 [0,2,0,0,0,0|2,0,0]=4 14782 B11R0.120 CCC(O)CN[C@H](C)C(=O)NC 2230a_100000684985_100011218378 [0,2,0,0,0,0|2,0,0]=4 14783 B11R0.120 CCC(O)CN[C@H](C)C(=O)NC 34a_100000684985_100011218378 [0,2,0,0,0,0|2,0,0]=4 14784 B11R0.120 CCC(O)COC(C)C(=O)OC 34a_100011215400_100011218378 [0,2,0,0,0,0|2,0,0]=4 14785 B11R0.120 CCC(O)CSC(C)C(=O)NC 62a_100000209862_100011218378 [0,2,0,0,0,0|2,0,0]=4 14786 B11R0.120 CCC(O)CSC(C)C(=O)NC 62a_100011218378_100000731044 [0,2,0,0,0,0|2,0,0]=4 14787 B11R0.120 CCC(O)CSC(C)C(=O)OC 62a_100000211248_100011218378 [0,2,0,0,0,0|2,0,0]=4 14788 B11R0.120 CCC(O)CSC(C)C(=O)OC 62a_100011218378_100000211248 [0,2,0,0,0,0|2,0,0]=4 14789 B11R0.120 CCC(O)CSC(F)C(=O)NC 62a_100009813575_100011218378 [0,2,0,0,0,0|2,0,0]=4 14790 B11R0.120 CCC(O)CSC(F)C(=O)NC 62a_100011218378_100009813575 [0,2,0,0,0,0|2,0,0]=4 14791 B11R0.120 CCN(C)CCC(C)C(=O)OC 2230a_100000225621_100000034942 [0,2,0,0,0,0|2,0,0]=4 14792 B11R0.120 CCN(C)CCC(C)C(=O)OC 269982a_100000225621_100000034942 [0,2,0,0,0,0|2,0,0]=4 14793 B11R0.120 CC[C@H](C)CN[C@H](C)C(=O)NC 2230a_100000684985_100009816398 [0,2,0,0,0,0|2,0,0]=4 14794 B11R0.120 CC[C@H](C)CN[C@H](C)C(=O)NC 34a_100000684985_100009816398 [0,2,0,0,0,0|2,0,0]=4 14795 B11R0.120 CC[C@H](C)COC(C)C(=O)NC 7a_100009816381_100000209862 [0,2,0,0,0,0|2,0,0]=4 14796 B11R0.120 CC[C@H](C)COC(C)C(=O)OC 34a_100011215400_100009816398 [0,2,0,0,0,0|2,0,0]=4 14797 B11R0.120 CC[C@H](C)COC(C)C(=O)OC 7a_100009816381_100000211248 [0,2,0,0,0,0|2,0,0]=4 14798 B11R0.120 CC[C@H](C)COC(F)C(=O)NC 7a_100009816381_100009813575 [0,2,0,0,0,0|2,0,0]=4 14799 B11R0.120 CC[C@H](C)CSC(C)C(=O)NC 62a_100000209862_100009816398 [0,2,0,0,0,0|2,0,0]=4 14800 B11R0.120 CC[C@H](C)CSC(C)C(=O)NC 62a_100009816398_100000731044 [0,2,0,0,0,0|2,0,0]=4 14801 B11R0.120 CC[C@H](C)CSC(C)C(=O)OC 62a_100000211248_100009816398 [0,2,0,0,0,0|2,0,0]=4 14802 B11R0.120 CC[C@H](C)CSC(C)C(=O)OC 62a_100009816398_100000211248 [0,2,0,0,0,0|2,0,0]=4 14803 B11R0.120 CC[C@H](C)CSC(F)C(=O)NC 62a_100009813575_100009816398 [0,2,0,0,0,0|2,0,0]=4 14804 B11R0.120 CC[C@H](C)CSC(F)C(=O)NC 62a_100009816398_100009813575 [0,2,0,0,0,0|2,0,0]=4 14805 B11R0.320 CCC(=O)CCCC(C)(C)C#N 1458a_100000210414_100000759902 [0,2,0,0,0,0|1,0,1]=4 14806 B11R0.320 CCC(=O)COCC(C)(C)CC 7a_100000765029_100000747405 [0,2,0,0,0,0|1,0,0]=3 14807 B11R0.320 CCC(=O)COCC(C)(C)CCl 7a_100011217199_100000747405 [0,2,0,0,0,0|2,0,0]=4 14808 B11R0.320 CCC(=O)COCC(C)(C)CO 34a_100000725409_100009813988 [0,2,0,0,0,0|2,0,0]=4 14809 B11R0.320 CCC(=O)COCC(C)(C)OC 34a_100000725409_100000701081 [0,2,0,0,0,0|2,0,0]=4 14810 B11R0.320 CCC(=O)CSCC(C)(C)CO 62a_100000747405_100009813988 [0,2,0,0,0,0|2,0,0]=4 14811 B11R0.320 CCC(=O)CSCC(C)(C)CO 62a_100009813988_100000747405 [0,2,0,0,0,0|2,0,0]=4 14812 B11R0.320 CCC(=O)CSCC(C)(C)OC 62a_100000701081_100000747405 [0,2,0,0,0,0|2,0,0]=4 14813 B11R0.320 CCC(=O)CSCC(C)(C)OC 62a_100000747405_100000701081 [0,2,0,0,0,0|2,0,0]=4 14814 B11R0.320 CCC(=O)NCCS(=O)(=O)CC 11a_100000751051_100000210414 [0,2,0,0,0,0|2,0,0]=4 14815 B11R0.320 CCC(=O)NCCS(=O)(=O)CC 1626a_100000751051_100000210414 [0,2,0,0,0,0|2,0,0]=4 14816 B11R0.320 CCC(=O)NCCS(=O)(=O)CC 240690a_100000751051_100000210414 [0,2,0,0,0,0|2,0,0]=4 14817 B11R0.320 CCC(=O)NCCS(=O)(=O)CC 527a_100000751051_100000210414 [0,2,0,0,0,0|2,0,0]=4 14818 B11R0.320 CCC(C)(C)COCC(=O)NC 7a_100000765029_100000183359 [0,2,0,0,0,0|2,0,0]=4 14819 B11R0.320 CCC(C)(C)COCC(=O)OC 7a_100000765029_100000747449 [0,2,0,0,0,0|2,0,0]=4 14820 B11R0.320 CCC(C)(C)NCCC(=O)NC 2230a_100000211385_100000737683 [0,2,0,0,0,0|2,0,0]=4 14821 B11R0.320 CCC(C)(C)NCCC(=O)OC 2230a_100000211385_100000204255 [0,2,0,0,0,0|2,0,0]=4 14822 B11R0.320 CCC(C)(C)OCCC(=O)NC 7a_100000210230_100000737683 [0,2,0,0,0,0|2,0,0]=4 14823 B11R0.320 CCC(C)(C)OCCC(=O)OC 7a_100000210230_100000204255 [0,2,0,0,0,0|2,0,0]=4 14824 B11R0.320 CCC(C)(C)SCCC(=O)NC 62a_100000032637_100000737683 [0,2,0,0,0,0|2,0,0]=4 14825 B11R0.320 CCC(C)(C)SCCC(=O)NC 62a_100000737683_100000032637 [0,2,0,0,0,0|2,0,0]=4 14826 B11R0.320 CCC(C)(C)SCCC(=O)OC 62a_100000032637_100000204255 [0,2,0,0,0,0|2,0,0]=4 14827 B11R0.320 CCC(C)(C)SCCC(=O)OC 62a_100000204255_100000032637 [0,2,0,0,0,0|2,0,0]=4 14828 B11R0.320 CCC(C)CCNS(=O)(=O)CC 270084a_100020591266_100000211323 [0,2,0,0,0,0|2,0,0]=4 14829 B11R0.320 CCC(C)CCNS(=O)(=O)CC 274078a_100020591266_100000211323 [0,2,0,0,0,0|2,0,0]=4 14830 B11R0.320 CCC(C)CCNS(=O)(=O)CC 40a_100020591266_100000053943 [0,2,0,0,0,0|2,0,0]=4 14831 B11R0.320 CCC(C)NCCS(=O)(=O)CC 2230a_100000209981_100000756660 [0,2,0,0,0,0|2,0,0]=4 14832 B11R0.320 CCC(C)NCCS(=O)(=O)CC 2230a_100000751051_100000758301 [0,2,0,0,0,0|2,0,0]=4 14833 B11R0.320 CCC(C)NCCS(=O)(=O)CC 34a_100000751051_100011215416 [0,2,0,0,0,0|2,0,0]=4 14834 B11R0.320 CCC(C)OCCS(=O)(=O)CC 34a_200011216379_100011215416 [0,2,0,0,0,0|2,0,0]=4 14835 B11R0.320 CCC(C)OCCS(=O)(=O)CC 7a_100000210228_100000756660 [0,2,0,0,0,0|2,0,0]=4 14836 B11R0.320 CCC(C)OCCS(=O)(=O)CC 7a_200011216379_100000758301 [0,2,0,0,0,0|2,0,0]=4 14837 B11R0.320 CCC(C)SCCS(=O)(=O)CC 62a_100000756660_100000758301 [0,2,0,0,0,0|2,0,0]=4 14838 B11R0.320 CCC(C)SCCS(=O)(=O)CC 62a_100000758301_100000756660 [0,2,0,0,0,0|2,0,0]=4 14839 B11R0.49 CCCCCCNC(C)(C)CC 2230a_100000211385_100000210314 [0,2,0,0,0,0|1,0,1]=4 14840 B11R0.49 CCCCCCNS(=O)(=O)CC 270084a_100000210581_100000211323 [0,2,0,0,0,0|1,0,0]=3 14841 B11R0.49 CCCCCCNS(=O)(=O)CC 274078a_100000210581_100000211323 [0,2,0,0,0,0|1,0,0]=3 14842 B11R0.49 CCCCCCNS(=O)(=O)CC 40a_100000210581_100000053943 [0,2,0,0,0,0|1,0,0]=3 14843 B11R0.49 CCCCCCNS(=O)(=O)CCl 270084a_100000210581_100000031410 [0,2,0,0,0,0|2,0,0]=4 14844 B11R0.49 CCCCCCNS(=O)(=O)CCl 274078a_100000210581_100000031410 [0,2,0,0,0,0|2,0,0]=4 14845 B11R0.49 CCCCCCOC(C)(C)CC 7a_100000210230_100000210314 [0,2,0,0,0,0|1,0,1]=4 14846 B11R0.49 CCCCCCOC(C)(C)CC 7a_100000210259_100000210677 [0,2,0,0,0,0|1,0,1]=4 14847 B11R0.49 CCCCCCSC(C)(C)CC 62a_100000032637_100000210757 [0,2,0,0,0,0|1,0,1]=4 14848 B11R0.49 CCCCCCSC(C)(C)CC 62a_100000210314_100000032637 [0,2,0,0,0,0|1,0,1]=4 14849 B11R0.49 CCCCCNNS(=O)(=O)CC 40a_100000694160_100000053943 [0,2,0,0,0,0|2,0,0]=4 14850 B11R0.49 CCCCCOCC(C)(C)CC 7a_100000765029_100000210326 [0,2,0,0,0,0|1,0,1]=4 14851 B11R0.49 CCCCNCCS(=O)(=O)CC 2230a_100000102301_100000756660 [0,2,0,0,0,0|1,0,0]=3 14852 B11R0.49 CCCCNCCS(=O)(=O)CC 2230a_100000751051_100000210211 [0,2,0,0,0,0|1,0,0]=3 14853 B11R0.49 CCCCNCCS(=O)(=O)CC 34a_100000751051_100000210210 [0,2,0,0,0,0|1,0,0]=3 14854 B11R0.49 CCCCNCCS(=O)(=O)CC 7a_106832991798_100000756660 [0,2,0,0,0,0|1,0,0]=3 14855 B11R0.49 CCCCNCCS(=O)(=O)NC 2230a_100000710037_100000210211 [0,2,0,0,0,0|2,0,0]=4 14856 B11R0.49 CCCCNCCS(=O)(=O)NC 34a_100000710037_100000210210 [0,2,0,0,0,0|2,0,0]=4 14857 B11R0.49 CCCCOCCS(=O)(=O)CC 34a_100000210227_100000756660 [0,2,0,0,0,0|1,0,0]=3 14858 B11R0.49 CCCCOCCS(=O)(=O)CC 34a_200011216379_100000210210 [0,2,0,0,0,0|1,0,0]=3 14859 B11R0.49 CCCCOCCS(=O)(=O)CC 7a_100000210227_100000756660 [0,2,0,0,0,0|1,0,0]=3 14860 B11R0.49 CCCCOCCS(=O)(=O)CC 7a_200011216379_100000210211 [0,2,0,0,0,0|1,0,0]=3 14861 B11R0.49 CCCCSCCS(=O)(=O)CC 62a_100000210211_100000756660 [0,2,0,0,0,0|1,0,0]=3 14862 B11R0.49 CCCCSCCS(=O)(=O)CC 62a_100000756660_100000210210 [0,2,0,0,0,0|1,0,0]=3 14863 B11R0.49 CCCOCCNS(=O)(=O)CC 270084a_100161115042_100000211323 [0,2,0,0,0,0|2,0,0]=4 14864 B11R0.49 CCCOCCNS(=O)(=O)CC 274078a_100161115042_100000211323 [0,2,0,0,0,0|2,0,0]=4 14865 B11R0.49 CCCOCCNS(=O)(=O)CC 40a_100161115042_100000053943 [0,2,0,0,0,0|2,0,0]=4 14866 B11R0.49 CCCSCCNS(=O)(=O)CC 270084a_100020603323_100000211323 [0,2,0,0,0,0|2,0,0]=4 14867 B11R0.49 CCCSCCNS(=O)(=O)CC 274078a_100020603323_100000211323 [0,2,0,0,0,0|2,0,0]=4 14868 B11R0.49 CCCSCCNS(=O)(=O)CC 40a_100020603323_100000053943 [0,2,0,0,0,0|2,0,0]=4 14869 B11R0.49 CCOCCCNS(=O)(=O)CC 270084a_100000210961_100000211323 [0,2,0,0,0,0|2,0,0]=4 14870 B11R0.49 CCOCCCNS(=O)(=O)CC 274078a_100000210961_100000211323 [0,2,0,0,0,0|2,0,0]=4 14871 B11R0.49 CCOCCCNS(=O)(=O)CC 40a_100000210961_100000053943 [0,2,0,0,0,0|2,0,0]=4 14872 B11R0.49 CCOCSCCS(=O)(=O)CC 62a_100000739092_100000756660 [0,2,0,0,0,0|2,0,0]=4 14873 B11R0.49 CCOCSCCS(=O)(=O)CC 62a_100000756660_100000739092 [0,2,0,0,0,0|2,0,0]=4 14874 B11R0.49 CCS(=O)(=O)CCNCCCF 2230a_100000751051_100011934791 [0,2,0,0,0,0|2,0,0]=4 14875 B11R0.49 CCS(=O)(=O)CCNCCCF 2230a_100015189416_100000756660 [0,2,0,0,0,0|2,0,0]=4 14876 B11R0.49 CCS(=O)(=O)CCNCCCF 34a_100000751051_100011934791 [0,2,0,0,0,0|2,0,0]=4 14877 B11R0.49 CCS(=O)(=O)CCNCCCF 34a_100015189416_100000756660 [0,2,0,0,0,0|2,0,0]=4 14878 B11R0.49 CCS(=O)(=O)CCNCCCO 2230a_100000751051_100000230001 [0,2,0,0,0,0|2,0,0]=4 14879 B11R0.49 CCS(=O)(=O)CCNCCCO 34a_100000751051_100000230001 [0,2,0,0,0,0|2,0,0]=4 14880 B11R0.49 CCS(=O)(=O)CCNCCOC 2230a_100000209980_100000756660 [0,2,0,0,0,0|2,0,0]=4 14881 B11R0.49 CCS(=O)(=O)CCNCCOC 2230a_100000751051_100011201679 [0,2,0,0,0,0|2,0,0]=4 14882 B11R0.49 CCS(=O)(=O)CCNCCOC 34a_100000751051_100011201679 [0,2,0,0,0,0|2,0,0]=4 14883 B11R0.49 CCS(=O)(=O)CCNCCSC 2230a_100000751051_100000751147 [0,2,0,0,0,0|2,0,0]=4 14884 B11R0.49 CCS(=O)(=O)CCNCCSC 2230a_100020590264_100000756660 [0,2,0,0,0,0|2,0,0]=4 14885 B11R0.49 CCS(=O)(=O)CCNCCSC 34a_100000751051_100000212216 [0,2,0,0,0,0|2,0,0]=4 14886 B11R0.49 CCS(=O)(=O)CCOCCCBr 34a_100011217188_100000756660 [0,2,0,0,0,0|2,0,0]=4 14887 B11R0.49 CCS(=O)(=O)CCOCCCCl 34a_100000230001_100000756660 [0,2,0,0,0,0|2,0,0]=4 14888 B11R0.49 CCS(=O)(=O)CCOCCCF 34a_100000759539_100000756660 [0,2,0,0,0,0|2,0,0]=4 14889 B11R0.49 CCS(=O)(=O)CCOCCCF 34a_200011216379_100011934791 [0,2,0,0,0,0|2,0,0]=4 14890 B11R0.49 CCS(=O)(=O)CCOCCCF 7a_200011216379_100011934791 [0,2,0,0,0,0|2,0,0]=4 14891 B11R0.49 CCS(=O)(=O)CCOCCCN 34a_100000182051_100000756660 [0,2,0,0,0,0|2,0,0]=4 14892 B11R0.49 CCS(=O)(=O)CCOCCCO 34a_200011216379_100000230001 [0,2,0,0,0,0|2,0,0]=4 14893 B11R0.49 CCS(=O)(=O)CCOCCCO 7a_200011216379_100011215043 [0,2,0,0,0,0|2,0,0]=4 14894 B11R0.49 CCS(=O)(=O)CCOCCOC 34a_100000210237_100000756660 [0,2,0,0,0,0|2,0,0]=4 14895 B11R0.49 CCS(=O)(=O)CCOCCOC 34a_200011216379_100011201679 [0,2,0,0,0,0|2,0,0]=4 14896 B11R0.49 CCS(=O)(=O)CCOCCOC 7a_200011216379_100000233755 [0,2,0,0,0,0|2,0,0]=4 14897 B11R0.49 CCS(=O)(=O)CCOCCSC 34a_100000230434_100000756660 [0,2,0,0,0,0|2,0,0]=4 14898 B11R0.49 CCS(=O)(=O)CCOCCSC 34a_200011216379_100000212216 [0,2,0,0,0,0|2,0,0]=4 14899 B11R0.49 CCS(=O)(=O)CCOCCSC 7a_100000230434_100000756660 [0,2,0,0,0,0|2,0,0]=4 14900 B11R0.49 CCS(=O)(=O)CCOCCSC 7a_200011216379_100000212216 [0,2,0,0,0,0|2,0,0]=4 14901 B11R0.49 CCS(=O)(=O)CCSCCCF 62a_100000756660_100011934791 [0,2,0,0,0,0|2,0,0]=4 14902 B11R0.49 CCS(=O)(=O)CCSCCCF 62a_100011934791_100000756660 [0,2,0,0,0,0|2,0,0]=4 14903 B11R0.49 CCS(=O)(=O)CCSCCCO 62a_100000756660_100011215043 [0,2,0,0,0,0|2,0,0]=4 14904 B11R0.49 CCS(=O)(=O)CCSCCCO 62a_100011215043_100000756660 [0,2,0,0,0,0|2,0,0]=4 14905 B11R0.49 CCS(=O)(=O)CCSCCOC 62a_100000233755_100000756660 [0,2,0,0,0,0|2,0,0]=4 14906 B11R0.49 CCS(=O)(=O)CCSCCOC 62a_100000756660_100000233755 [0,2,0,0,0,0|2,0,0]=4 14907 B11R0.49 CCS(=O)(=O)CCSCCSC 62a_100000212216_100000756660 [0,2,0,0,0,0|2,0,0]=4 14908 B11R0.49 CCS(=O)(=O)CCSCCSC 62a_100000756660_100000751147 [0,2,0,0,0,0|2,0,0]=4 14909 B11R0.49 CCS(=O)(=O)NCCCCCO 270084a_100000762737_100000211323 [0,2,0,0,0,0|2,0,0]=4 14910 B11R0.49 CCS(=O)(=O)NCCCCCO 274078a_100000762737_100000211323 [0,2,0,0,0,0|2,0,0]=4 14911 B11R0.49 CCS(=O)(=O)NCCCCCO 40a_100000762737_100000053943 [0,2,0,0,0,0|2,0,0]=4 14912 B11R0.87 CCCCCN(C)S(=O)(=O)CC 270084a_100000223495_100000211323 [0,2,0,0,0,0|2,0,0]=4 14913 B11R0.87 CCCCCN(C)S(=O)(=O)CC 274078a_100000223495_100000211323 [0,2,0,0,0,0|2,0,0]=4 14914 B11R0.87 CCCCCN(C)S(=O)(=O)CC 40a_100000223495_100000053943 [0,2,0,0,0,0|2,0,0]=4 14915 B11R0.125 CCCCCCS(=O)(=O)N(C)C 270084a_100102631434_100011361803 [0,2,0,0,0,0|2,0,0]=4 14916 B11R0.125 CCCCCCS(=O)(=O)N(C)C 274078a_100102631434_100011361803 [0,2,0,0,0,0|2,0,0]=4 14917 B11R0.125 CCCCCNS(=O)(=O)C(C)C 270084a_100000209983_100000742656 [0,2,0,0,0,0|2,0,0]=4 14918 B11R0.125 CCCCCNS(=O)(=O)C(C)C 274078a_100000209983_100000742656 [0,2,0,0,0,0|2,0,0]=4 14919 B11R0.125 CCCNCCS(=O)(=O)C(C)C 2230a_100000732177_100000210303 [0,2,0,0,0,0|2,0,0]=4 14920 B11R0.125 CCCNCCS(=O)(=O)C(C)C 34a_100000732177_100000210303 [0,2,0,0,0,0|2,0,0]=4 14921 B11R0.170 CCCC(=O)CCS(=O)(=O)CC 1458a_100000211992_100000756660 [0,2,0,0,0,0|1,0,1]=4 14922 B11R0.170 CCCN(C)CCS(=O)(=O)CC 2230a_100000694288_100000210303 [0,2,0,0,0,0|2,0,0]=4 14923 B11R0.170 CCCN(C)CCS(=O)(=O)CC 2230a_100000747261_100000756660 [0,2,0,0,0,0|2,0,0]=4 14924 B11R0.170 CCCN(C)CCS(=O)(=O)CC 269982a_100000694288_100000210303 [0,2,0,0,0,0|2,0,0]=4 14925 B11R0.170 CCCN(C)CCS(=O)(=O)CC 269982a_100000747261_100000756660 [0,2,0,0,0,0|2,0,0]=4 14926 B11R0.170 CCCN(C)CCS(=O)(=O)CC 34a_100000694288_100000210303 [0,2,0,0,0,0|2,0,0]=4 14927 B11R0.40 C#CC(=O)CC#CCCCCC 1458a_100000211873_100009816472 [0,2,0,0,0,0|0,0,2]=4 14928 B11R0.40 C#CC(=O)CCCCCCC#N 1458a_100000211873_100009813337 [0,2,0,0,0,0|0,0,2]=4 14929 B11R0.40 C#CC(=O)CCCCCCC=C 1458a_100000211873_100011215473 [0,2,0,0,0,0|0,0,2]=4 14930 B11R0.40 C#CC(=O)CCCCCCCC 1458a_100000211873_100000210759 [0,2,0,0,0,0|0,0,2]=4 14931 B11R0.40 C#CC(=O)CCCCCCCO 1458a_100000211873_100000760002 [0,2,0,0,0,0|0,0,2]=4 14932 B11R0.40 C#CC(=O)CCCCCCOC 1458a_100000211873_100011998445 [0,2,0,0,0,0|0,0,2]=4 14933 B11R0.40 C#CC(=O)CCCOCCOC 1458a_100000211873_100011216529 [0,2,0,0,0,0|0,0,2]=4 14934 B11R0.40 C#CC(=O)CCOCCOCC 1458a_100000211873_100011211534 [0,2,0,0,0,0|0,0,2]=4 14935 B11R0.40 C#CCCCCCCC(=O)C#C 1458a_100000211873_100012276617 [0,2,0,0,0,0|0,0,2]=4 14936 B11R0.40 C#CCCCCCCC(=O)C=C 1458a_100000185746_100012276617 [0,2,0,0,0,0|0,0,2]=4 14937 B11R0.40 C#CCCCCCCC(=O)CC 1458a_100000034748_100000210202 [0,2,0,0,0,0|0,0,0]=2 14938 B11R0.40 C#CCCCCCCC(=O)CC 1458a_100000210414_100012276617 [0,2,0,0,0,0|0,0,0]=2 14939 B11R0.40 C#CCCCCCCC(=O)CF 1458a_100000034748_100015361967 [0,2,0,0,0,0|1,0,0]=3 14940 B11R0.40 C#CCCCCCCC(=O)CO 1458a_100000210174_100012276617 [0,2,0,0,0,0|1,0,0]=3 14941 B11R0.40 C#CCCCCCCC(=O)NC 11a_106832991635_100000034748 [0,2,0,0,0,0|1,0,0]=3 14942 B11R0.40 C#CCCCCCCC(=O)NC 1626a_100102657272_100000034748 [0,2,0,0,0,0|1,0,0]=3 14943 B11R0.40 C#CCCCCCCC(=O)NC 240690a_100102657272_100000034748 [0,2,0,0,0,0|1,0,0]=3 14944 B11R0.40 C#CCCCCCCC(=O)NC 527a_100102657272_100000034748 [0,2,0,0,0,0|1,0,0]=3 14945 B11R0.40 C#CCCCCCCN(C)CC 2230a_100000225621_100012276617 [0,2,0,0,0,0|2,0,0]=4 14946 B11R0.40 C#CCCCCCCN(C)CC 269982a_100000225621_100012276617 [0,2,0,0,0,0|2,0,0]=4 14947 B11R0.40 C#CCCCCNCC(=O)NC 2230a_100000693194_100010269958 [0,2,0,0,0,0|1,0,1]=4 14948 B11R0.40 C#CCCCCNCC(=O)NC 2230a_100000706060_100000183359 [0,2,0,0,0,0|1,0,1]=4 14949 B11R0.40 C#CCCCCNCC(=O)NC 34a_100000706060_100000183359 [0,2,0,0,0,0|1,0,1]=4 14950 B11R0.40 C#CCCCCNCC(=O)OC 2230a_100000706060_100000747449 [0,2,0,0,0,0|1,0,1]=4 14951 B11R0.40 C#CCCCCNCC(=O)OC 34a_100000706060_100000747449 [0,2,0,0,0,0|1,0,1]=4 14952 B11R0.40 C#CCCCCOCC(=O)CC 34a_100000725409_100010269958 [0,2,0,0,0,0|0,0,1]=3 14953 B11R0.40 C#CCCCCOCC(=O)CC 7a_100000766709_100000747405 [0,2,0,0,0,0|0,0,1]=3 14954 B11R0.40 C#CCCCCOCC(=O)NC 34a_100000750040_100010269958 [0,2,0,0,0,0|1,0,1]=4 14955 B11R0.40 C#CCCCCOCC(=O)NC 34a_100000766709_100000183359 [0,2,0,0,0,0|1,0,1]=4 14956 B11R0.40 C#CCCCCOCC(=O)NC 7a_100000766709_100000183359 [0,2,0,0,0,0|1,0,1]=4 14957 B11R0.40 C#CCCCCOCC(=O)OC 34a_100000766709_100000747449 [0,2,0,0,0,0|1,0,1]=4 14958 B11R0.40 C#CCCCCOCC(=O)OC 7a_100000766709_100000747449 [0,2,0,0,0,0|1,0,1]=4 14959 B11R0.40 C#CCCCCSCC(=O)CC 62a_100000747405_100010269958 [0,2,0,0,0,0|0,0,1]=3 14960 B11R0.40 C#CCCCCSCC(=O)CC 62a_100010269958_100000747405 [0,2,0,0,0,0|0,0,1]=3 14961 B11R0.40 C#CCCCCSCC(=O)NC 62a_100000183359_100010269958 [0,2,0,0,0,0|1,0,1]=4 14962 B11R0.40 C#CCCCCSCC(=O)NC 62a_100010269958_100000183359 [0,2,0,0,0,0|1,0,1]=4 14963 B11R0.40 C#CCCCCSCC(=O)OC 62a_100000747449_100010269958 [0,2,0,0,0,0|1,0,1]=4 14964 B11R0.40 C#CCCCCSCC(=O)OC 62a_100010269958_100000747449 [0,2,0,0,0,0|1,0,1]=4 14965 B11R0.40 C#CCCCNCCC(=O)NC 2230a_100000738227_100000731252 [0,2,0,0,0,0|1,0,1]=4 14966 B11R0.40 C#CCCCNCCC(=O)NC 34a_100000718082_100012179268 [0,2,0,0,0,0|1,0,1]=4 14967 B11R0.40 C#CCCCNCCC(=O)NC 34a_100000738227_100000695029 [0,2,0,0,0,0|1,0,1]=4 14968 B11R0.40 C#CCCCNCCC(=O)OC 34a_100000718082_100000742370 [0,2,0,0,0,0|1,0,1]=4 14969 B11R0.40 C#CCCCOCCC(=O)NC 34a_100000215630_100012179268 [0,2,0,0,0,0|1,0,1]=4 14970 B11R0.40 C#CCCCOCCC(=O)NC 34a_100000754576_100000695029 [0,2,0,0,0,0|1,0,1]=4 14971 B11R0.40 C#CCCCOCCC(=O)NC 7a_100000215630_100000737683 [0,2,0,0,0,0|1,0,1]=4 14972 B11R0.40 C#CCCCOCCC(=O)OC 34a_100000215630_100000742370 [0,2,0,0,0,0|1,0,1]=4 14973 B11R0.40 C#CCCCOCCC(=O)OC 7a_100000215630_100000204255 [0,2,0,0,0,0|1,0,1]=4 14974 B11R0.40 C#CCCCSCCC(=O)NC 62a_100000737683_100011215417 [0,2,0,0,0,0|1,0,1]=4 14975 B11R0.40 C#CCCCSCCC(=O)NC 62a_100011215417_100000737683 [0,2,0,0,0,0|1,0,1]=4 14976 B11R0.40 C#CCCCSCCC(=O)OC 62a_100000204255_100011215417 [0,2,0,0,0,0|1,0,1]=4 14977 B11R0.40 C#CCCCSCCC(=O)OC 62a_100011215417_100000204255 [0,2,0,0,0,0|1,0,1]=4 14978 B11R0.40 C#CCCNCCCC(=O)NC 2230a_100000740002_100000688953 [0,2,0,0,0,0|1,0,1]=4 14979 B11R0.40 C#CCCNCCCC(=O)NC 34a_100000740002_100000688953 [0,2,0,0,0,0|1,0,1]=4 14980 B11R0.40 C#CCCNCCCC(=O)NC 34a_100000755551_100000741757 [0,2,0,0,0,0|1,0,1]=4 14981 B11R0.40 C#CCCNCCCC(=O)OC 34a_100000755551_100000742333 [0,2,0,0,0,0|1,0,1]=4 14982 B11R0.40 C#CCCNCCNC(=O)CC 34a_100132302217_100000688953 [0,2,0,0,0,0|0,0,2]=4 14983 B11R0.40 C#CCCOCCCC(=O)NC 34a_100011215631_100000741757 [0,2,0,0,0,0|1,0,1]=4 14984 B11R0.40 C#CCCOCCCC(=O)OC 34a_100011215631_100000742333 [0,2,0,0,0,0|1,0,1]=4 14985 B11R0.40 C#CCCOCCNC(=O)CC 34a_200000158885_100000688953 [0,2,0,0,0,0|0,0,2]=4 14986 B11R0.40 C#CCCOCCNC(=O)CC 7a_200000158885_100000688953 [0,2,0,0,0,0|0,0,2]=4 14987 B11R0.40 C#CCCOCCOC(=O)CC 7a_200000031056_100000688953 [0,2,0,0,0,0|0,0,2]=4 14988 B11R0.40 C#CCCSCCCC(=O)NC 62a_100000688953_100000741757 [0,2,0,0,0,0|1,0,1]=4 14989 B11R0.40 C#CCCSCCCC(=O)NC 62a_100000741757_100000688953 [0,2,0,0,0,0|1,0,1]=4 14990 B11R0.40 C#CCCSCCCC(=O)OC 62a_100000688953_100011218270 [0,2,0,0,0,0|1,0,1]=4 14991 B11R0.40 C#CCCSCCCC(=O)OC 62a_100011218270_100000688953 [0,2,0,0,0,0|1,0,1]=4 14992 B11R0.40 C#CCNCCCCC(=O)OC 34a_100000212058_100000204269 [0,2,0,0,0,0|1,0,1]=4 14993 B11R0.40 C#CCOCCCCC(=O)OC 34a_100000059025_100000184674 [0,2,0,0,0,0|1,0,1]=4 14994 B11R0.40 C#CCOCCCCC(=O)OC 34a_100000210247_100000204269 [0,2,0,0,0,0|1,0,1]=4 14995 B11R0.40 C#CCOCCCCC(=O)OC 7a_100000059025_100000038162 [0,2,0,0,0,0|1,0,1]=4 14996 B11R0.40 C#CCOCCOCC(=O)CC 34a_100000725409_100010402529 [0,2,0,0,0,0|0,0,2]=4 14997 B11R0.40 C#CCOCCOCC(=O)CC 7a_100000054580_100000747405 [0,2,0,0,0,0|0,0,2]=4 14998 B11R0.40 C#CCOCCSCC(=O)CC 62a_100000747405_100010402529 [0,2,0,0,0,0|0,0,2]=4 14999 B11R0.40 C#CCOCCSCC(=O)CC 62a_100010402529_100000747405 [0,2,0,0,0,0|0,0,2]=4 15000 B11R0.40 C#CCSCCCCC(=O)OC 62a_100000038162_100000204269 [0,2,0,0,0,0|1,0,1]=4 15001 B11R0.40 C/C=C/CCOCCC(=O)NC 34a_100016278192_100012179268 [0,2,0,0,0,0|1,0,1]=4 15002 B11R0.40 C/C=C/CCOCCC(=O)OC 34a_100016278192_100000742370 [0,2,0,0,0,0|1,0,1]=4 15003 B11R0.40 C/C=C/CNCCCC(=O)NC 34a_100000740002_100102629194 [0,2,0,0,0,0|1,0,1]=4 15004 B11R0.40 C/C=C/CNCCNC(=O)CC 34a_100132302217_100102629194 [0,2,0,0,0,0|0,0,2]=4 15005 B11R0.40 C/C=C/COCCCC(=O)NC 34a_100016270725_100000741757 [0,2,0,0,0,0|1,0,1]=4 15006 B11R0.40 C/C=C/COCCCC(=O)OC 34a_100016270725_100000742333 [0,2,0,0,0,0|1,0,1]=4 15007 B11R0.40 C/C=C/COCCNC(=O)CC 34a_200000158885_100102629194 [0,2,0,0,0,0|0,0,2]=4 15008 B11R0.40 C/C=C/COCCNC(=O)CC 7a_200000158885_100102629194 [0,2,0,0,0,0|0,0,2]=4 15009 B11R0.40 C/C=C/COCCOC(=O)CC 7a_200000031056_100102629194 [0,2,0,0,0,0|0,0,2]=4 15010 B11R0.40 C/C=C/CSCCCC(=O)NC 62a_100000741757_100102629194 [0,2,0,0,0,0|1,0,1]=4 15011 B11R0.40 C/C=C/CSCCCC(=O)NC 62a_100102629194_100000741757 [0,2,0,0,0,0|1,0,1]=4 15012 B11R0.40 C/C=C/CSCCCC(=O)OC 62a_100011218270_100102629194 [0,2,0,0,0,0|1,0,1]=4 15013 B11R0.40 C/C=C/CSCCCC(=O)OC 62a_100102629194_100011218270 [0,2,0,0,0,0|1,0,1]=4 15014 B11R0.40 C=CC(=O)CC#CCCCCC 1458a_100000185746_100009816472 [0,2,0,0,0,0|0,0,2]=4 15015 B11R0.40 C=CC(=O)CCCCCCC#N 1458a_100000185746_100009813337 [0,2,0,0,0,0|0,0,2]=4 15016 B11R0.40 C=CC(=O)CCCCCCCC 1458a_100000185746_100000210759 [0,2,0,0,0,0|0,0,2]=4 15017 B11R0.40 C=CC(=O)CCCCCCCO 1458a_100000185746_100000760002 [0,2,0,0,0,0|0,0,2]=4 15018 B11R0.40 C=CC(=O)CCCCCCOC 1458a_100000185746_100011998445 [0,2,0,0,0,0|0,0,2]=4 15019 B11R0.40 C=CC(=O)CCCOCCOC 1458a_100000185746_100011216529 [0,2,0,0,0,0|0,0,2]=4 15020 B11R0.40 C=CC(=O)CCOCCOCC 1458a_100000185746_100011211534 [0,2,0,0,0,0|0,0,2]=4 15021 B11R0.40 C=CC(=O)NCCCCCCC 1626a_100000229938_100000185746 [0,2,0,0,0,0|0,0,2]=4 15022 B11R0.40 C=CC(=O)NCCCCCCC 240690a_100000229938_200121576911 [0,2,0,0,0,0|0,0,2]=4 15023 B11R0.40 C=CC(=O)NCCCCCCO 240690a_100000686447_200121576911 [0,2,0,0,0,0|0,0,2]=4 15024 B11R0.40 C=CC(=O)NCCCCCOC 1626a_100000747528_100000185746 [0,2,0,0,0,0|0,0,2]=4 15025 B11R0.40 C=CC(=O)NCCCCCOC 240690a_100000747528_200121576911 [0,2,0,0,0,0|0,0,2]=4 15026 B11R0.40 C=CC(=O)NCCCCOCC 34a_100014118770_100000210202 [0,2,0,0,0,0|0,0,2]=4 15027 B11R0.40 C=CC(=O)NCCCOCCC 1626a_100011217757_100000185746 [0,2,0,0,0,0|0,0,2]=4 15028 B11R0.40 C=CC(=O)NCCCOCCC 240690a_100011217757_200121576911 [0,2,0,0,0,0|0,0,2]=4 15029 B11R0.40 C=CC(=O)NCCNCCCC 2230a_114873766552_100000210211 [0,2,0,0,0,0|0,0,2]=4 15030 B11R0.40 C=CC(=O)NCCOCCCC 34a_100011304386_100000210210 [0,2,0,0,0,0|0,0,2]=4 15031 B11R0.40 C=CC(=O)NCCSCCCC 1626a_100025743550_100000185746 [0,2,0,0,0,0|0,0,2]=4 15032 B11R0.40 C=CC(=O)NCCSCCCC 240690a_100025743550_200121576911 [0,2,0,0,0,0|0,0,2]=4 15033 B11R0.40 C=CC(=O)OCCCCCOC 7a_200011023508_200000210301 [0,2,0,0,0,0|0,0,2]=4 15034 B11R0.40 C=CC(=O)OCCCCCO[13CH3] 7a_200011023508_200025704644 [0,2,0,0,0,0|0,0,2]=4 15035 B11R0.40 C=CC(=O)OCCNCCCC 2230a_100000102301_100009813456 [0,2,0,0,0,0|0,0,2]=4 15036 B11R0.40 C=CC(=O)OCCNCCCC 7a_106832991798_100009813456 [0,2,0,0,0,0|0,0,2]=4 15037 B11R0.40 C=CC(=O)OCCOCCCC 34a_100000210227_100009813456 [0,2,0,0,0,0|0,0,2]=4 15038 B11R0.40 C=CC(=O)OCCOCCCC 7a_100000210227_100009813456 [0,2,0,0,0,0|0,0,2]=4 15039 B11R0.40 C=CC(=O)OCCSCCCC 62a_100000210211_100009813456 [0,2,0,0,0,0|0,0,2]=4 15040 B11R0.40 C=CC(=O)OCCSCCCC 62a_100009813456_100000210210 [0,2,0,0,0,0|0,0,2]=4 15041 B11R0.40 C=CCCCCCCC(=O)C=C 1458a_100000185746_100011215473 [0,2,0,0,0,0|0,0,2]=4 15042 B11R0.40 C=CCCCCCCC(=O)CC 1458a_100000210414_100011215473 [0,2,0,0,0,0|0,0,0]=2 15043 B11R0.40 C=CCCCCCCC(=O)CC 1458a_100011809334_100000210202 [0,2,0,0,0,0|0,0,0]=2 15044 B11R0.40 C=CCCCCCCC(=O)CF 1458a_100011809334_100015361967 [0,2,0,0,0,0|1,0,0]=3 15045 B11R0.40 C=CCCCCCCC(=O)CO 1458a_100000210174_100011215473 [0,2,0,0,0,0|1,0,0]=3 15046 B11R0.40 C=CCCCCCCC(=O)NC 11a_106832991635_100011809334 [0,2,0,0,0,0|1,0,0]=3 15047 B11R0.40 C=CCCCCCCC(=O)NC 1626a_100102657272_100011809334 [0,2,0,0,0,0|1,0,0]=3 15048 B11R0.40 C=CCCCCCCC(=O)NC 240690a_100102657272_100011809334 [0,2,0,0,0,0|1,0,0]=3 15049 B11R0.40 C=CCCCCCCC(=O)NC 527a_100102657272_100011809334 [0,2,0,0,0,0|1,0,0]=3 15050 B11R0.40 C=CCCCCCCN(C)CC 2230a_100000225621_100011215473 [0,2,0,0,0,0|2,0,0]=4 15051 B11R0.40 C=CCCCCCCN(C)CC 269982a_100000225621_100011215473 [0,2,0,0,0,0|2,0,0]=4 15052 B11R0.40 C=CCCCCNCC(=O)NC 2230a_100000693194_100011215482 [0,2,0,0,0,0|1,0,1]=4 15053 B11R0.40 C=CCCCCNCC(=O)NC 2230a_100000703577_100000183359 [0,2,0,0,0,0|1,0,1]=4 15054 B11R0.40 C=CCCCCNCC(=O)NC 34a_100000703577_100000183359 [0,2,0,0,0,0|1,0,1]=4 15055 B11R0.40 C=CCCCCNCC(=O)OC 2230a_100000703577_100000747449 [0,2,0,0,0,0|1,0,1]=4 15056 B11R0.40 C=CCCCCNCC(=O)OC 34a_100000703577_100000747449 [0,2,0,0,0,0|1,0,1]=4 15057 B11R0.40 C=CCCCCOCC(=O)CC 34a_100000725409_100011215482 [0,2,0,0,0,0|0,0,1]=3 15058 B11R0.40 C=CCCCCOCC(=O)CC 7a_100000766645_100000747405 [0,2,0,0,0,0|0,0,1]=3 15059 B11R0.40 C=CCCCCOCC(=O)NC 34a_100000750040_100011215482 [0,2,0,0,0,0|1,0,1]=4 15060 B11R0.40 C=CCCCCOCC(=O)NC 34a_100000766645_100000183359 [0,2,0,0,0,0|1,0,1]=4 15061 B11R0.40 C=CCCCCOCC(=O)NC 7a_100000766645_100000183359 [0,2,0,0,0,0|1,0,1]=4 15062 B11R0.40 C=CCCCCOCC(=O)OC 34a_100000766645_100000747449 [0,2,0,0,0,0|1,0,1]=4 15063 B11R0.40 C=CCCCCOCC(=O)OC 7a_100000766645_100000747449 [0,2,0,0,0,0|1,0,1]=4 15064 B11R0.40 C=CCCCCSCC(=O)CC 62a_100000747405_100011215482 [0,2,0,0,0,0|0,0,1]=3 15065 B11R0.40 C=CCCCCSCC(=O)CC 62a_100011215482_100000747405 [0,2,0,0,0,0|0,0,1]=3 15066 B11R0.40 C=CCCCCSCC(=O)NC 62a_100000183359_100011215482 [0,2,0,0,0,0|1,0,1]=4 15067 B11R0.40 C=CCCCCSCC(=O)NC 62a_100011215482_100000183359 [0,2,0,0,0,0|1,0,1]=4 15068 B11R0.40 C=CCCCCSCC(=O)OC 62a_100000747449_100011215482 [0,2,0,0,0,0|1,0,1]=4 15069 B11R0.40 C=CCCCCSCC(=O)OC 62a_100011215482_100000747449 [0,2,0,0,0,0|1,0,1]=4 15070 B11R0.40 C=CCCCNCCC(=O)NC 2230a_100000700776_100000737683 [0,2,0,0,0,0|1,0,1]=4 15071 B11R0.40 C=CCCCNCCC(=O)NC 2230a_100000738227_100011713584 [0,2,0,0,0,0|1,0,1]=4 15072 B11R0.40 C=CCCCNCCC(=O)NC 34a_100000700776_100012179268 [0,2,0,0,0,0|1,0,1]=4 15073 B11R0.40 C=CCCCNCCC(=O)NC 34a_100000738227_100000757094 [0,2,0,0,0,0|1,0,1]=4 15074 B11R0.40 C=CCCCNCCC(=O)OC 2230a_100000700776_100000204255 [0,2,0,0,0,0|1,0,1]=4 15075 B11R0.40 C=CCCCNCCC(=O)OC 34a_100000700776_100000742370 [0,2,0,0,0,0|1,0,1]=4 15076 B11R0.40 C=CCCCOCCC(=O)NC 34a_100000754576_100000757094 [0,2,0,0,0,0|1,0,1]=4 15077 B11R0.40 C=CCCCOCCC(=O)NC 34a_100000758997_100012179268 [0,2,0,0,0,0|1,0,1]=4 15078 B11R0.40 C=CCCCOCCC(=O)NC 7a_100000758997_100000737683 [0,2,0,0,0,0|1,0,1]=4 15079 B11R0.40 C=CCCCOCCC(=O)OC 34a_100000758997_100000742370 [0,2,0,0,0,0|1,0,1]=4 15080 B11R0.40 C=CCCCOCCC(=O)OC 7a_100000758997_100000204255 [0,2,0,0,0,0|1,0,1]=4 15081 B11R0.40 C=CCCCSCCC(=O)NC 62a_100000737683_100000757094 [0,2,0,0,0,0|1,0,1]=4 15082 B11R0.40 C=CCCCSCCC(=O)NC 62a_100011713584_100000737683 [0,2,0,0,0,0|1,0,1]=4 15083 B11R0.40 C=CCCCSCCC(=O)OC 62a_100000204255_100000757094 [0,2,0,0,0,0|1,0,1]=4 15084 B11R0.40 C=CCCCSCCC(=O)OC 62a_100011713584_100000204255 [0,2,0,0,0,0|1,0,1]=4 15085 B11R0.40 C=CCCNCCCC(=O)NC 2230a_100000740002_100000754431 [0,2,0,0,0,0|1,0,1]=4 15086 B11R0.40 C=CCCNCCCC(=O)NC 2230a_100015191253_100000741757 [0,2,0,0,0,0|1,0,1]=4 15087 B11R0.40 C=CCCNCCCC(=O)NC 34a_100000740002_100000754431 [0,2,0,0,0,0|1,0,1]=4 15088 B11R0.40 C=CCCNCCCC(=O)OC 2230a_100015191253_100011218270 [0,2,0,0,0,0|1,0,1]=4 15089 B11R0.40 C=CCCNCCNC(=O)CC 34a_100132302217_100000754431 [0,2,0,0,0,0|0,0,2]=4 15090 B11R0.40 C=CCCOCCCC(=O)NC 34a_100011205117_100000741757 [0,2,0,0,0,0|1,0,1]=4 15091 B11R0.40 C=CCCOCCCC(=O)OC 34a_100011205117_100000742333 [0,2,0,0,0,0|1,0,1]=4 15092 B11R0.40 C=CCCOCCNC(=O)CC 34a_200000158885_100000754431 [0,2,0,0,0,0|0,0,2]=4 15093 B11R0.40 C=CCCOCCNC(=O)CC 7a_200000158885_100000754431 [0,2,0,0,0,0|0,0,2]=4 15094 B11R0.40 C=CCCOCCOC(=O)CC 7a_200000031056_100000754431 [0,2,0,0,0,0|0,0,2]=4 15095 B11R0.40 C=CCCSCCCC(=O)NC 62a_100000741757_100000754431 [0,2,0,0,0,0|1,0,1]=4 15096 B11R0.40 C=CCCSCCCC(=O)NC 62a_100000754431_100000741757 [0,2,0,0,0,0|1,0,1]=4 15097 B11R0.40 C=CCCSCCCC(=O)OC 62a_100000754431_100011218270 [0,2,0,0,0,0|1,0,1]=4 15098 B11R0.40 C=CCCSCCCC(=O)OC 62a_100011218270_100000754431 [0,2,0,0,0,0|1,0,1]=4 15099 B11R0.40 C=CCNCCCCC(=O)OC 2230a_100020586998_100000204269 [0,2,0,0,0,0|1,0,1]=4 15100 B11R0.40 C=CCOCCCCC(=O)OC 34a_100000059025_100015514636 [0,2,0,0,0,0|1,0,1]=4 15101 B11R0.40 C=CCOCCCCC(=O)OC 34a_200000210373_100000204269 [0,2,0,0,0,0|1,0,1]=4 15102 B11R0.40 C=CCOCCCCC(=O)OC 7a_100000059025_100015514636 [0,2,0,0,0,0|1,0,1]=4 15103 B11R0.40 C=CCOCCOCC(=O)CC 7a_100000037705_100000747405 [0,2,0,0,0,0|0,0,2]=4 15104 B11R0.40 C=CCSCCCCC(=O)OC 62a_100000204269_100000210623 [0,2,0,0,0,0|1,0,1]=4 15105 B11R0.40 C=CCSCCCCC(=O)OC 62a_100000210623_100000204269 [0,2,0,0,0,0|1,0,1]=4 15106 B11R0.40 CC#CCCOCCC(=O)NC 34a_100000750427_100012179268 [0,2,0,0,0,0|1,0,1]=4 15107 B11R0.40 CC#CCCOCCC(=O)OC 34a_100000750427_100000742370 [0,2,0,0,0,0|1,0,1]=4 15108 B11R0.40 CC#CCNCCCC(=O)NC 2230a_100000685387_100000741757 [0,2,0,0,0,0|1,0,1]=4 15109 B11R0.40 CC#CCNCCCC(=O)NC 2230a_100000740002_100000748600 [0,2,0,0,0,0|1,0,1]=4 15110 B11R0.40 CC#CCNCCCC(=O)NC 34a_100000685387_100000741757 [0,2,0,0,0,0|1,0,1]=4 15111 B11R0.40 CC#CCNCCCC(=O)NC 34a_100000740002_100000748600 [0,2,0,0,0,0|1,0,1]=4 15112 B11R0.40 CC#CCNCCCC(=O)OC 2230a_100000685387_100011218270 [0,2,0,0,0,0|1,0,1]=4 15113 B11R0.40 CC#CCNCCCC(=O)OC 34a_100000685387_100000742333 [0,2,0,0,0,0|1,0,1]=4 15114 B11R0.40 CC#CCNCCNC(=O)CC 34a_100132302217_100000748600 [0,2,0,0,0,0|0,0,2]=4 15115 B11R0.40 CC#CCOCCCC(=O)NC 34a_100000761923_100000741757 [0,2,0,0,0,0|1,0,1]=4 15116 B11R0.40 CC#CCOCCCC(=O)OC 34a_100000761923_100000742333 [0,2,0,0,0,0|1,0,1]=4 15117 B11R0.40 CC#CCOCCNC(=O)CC 34a_200000158885_100000748600 [0,2,0,0,0,0|0,0,2]=4 15118 B11R0.40 CC#CCOCCNC(=O)CC 7a_200000158885_100000748600 [0,2,0,0,0,0|0,0,2]=4 15119 B11R0.40 CC#CCOCCOC(=O)CC 7a_200000031056_100000748600 [0,2,0,0,0,0|0,0,2]=4 15120 B11R0.40 CC#CCSCCCC(=O)NC 62a_100000741757_100000748600 [0,2,0,0,0,0|1,0,1]=4 15121 B11R0.40 CC#CCSCCCC(=O)NC 62a_100000748600_100000741757 [0,2,0,0,0,0|1,0,1]=4 15122 B11R0.40 CC#CCSCCCC(=O)OC 62a_100000748600_100011218270 [0,2,0,0,0,0|1,0,1]=4 15123 B11R0.40 CC#CCSCCCC(=O)OC 62a_100011218270_100000748600 [0,2,0,0,0,0|1,0,1]=4 15124 B11R0.40 CC/C=C\CCNCC(=O)NC 2230a_100000693194_100015370543 [0,2,0,0,0,0|1,0,1]=4 15125 B11R0.40 CC/C=C\CCOCC(=O)CC 34a_100000725409_100015370543 [0,2,0,0,0,0|0,0,1]=3 15126 B11R0.40 CC/C=C\CCOCC(=O)CC 7a_100016288707_100000747405 [0,2,0,0,0,0|0,0,1]=3 15127 B11R0.40 CC/C=C\CCOCC(=O)NC 34a_100000750040_100015370543 [0,2,0,0,0,0|1,0,1]=4 15128 B11R0.40 CC/C=C\CCOCC(=O)NC 34a_100016288707_100000183359 [0,2,0,0,0,0|1,0,1]=4 15129 B11R0.40 CC/C=C\CCOCC(=O)NC 7a_100016288707_100000183359 [0,2,0,0,0,0|1,0,1]=4 15130 B11R0.40 CC/C=C\CCOCC(=O)OC 34a_100016288707_100000747449 [0,2,0,0,0,0|1,0,1]=4 15131 B11R0.40 CC/C=C\CCOCC(=O)OC 7a_100016288707_100000747449 [0,2,0,0,0,0|1,0,1]=4 15132 B11R0.40 CC/C=C\CCSCC(=O)CC 62a_100000747405_100015370543 [0,2,0,0,0,0|0,0,1]=3 15133 B11R0.40 CC/C=C\CCSCC(=O)CC 62a_100015370543_100000747405 [0,2,0,0,0,0|0,0,1]=3 15134 B11R0.40 CC/C=C\CCSCC(=O)NC 62a_100000183359_100015370543 [0,2,0,0,0,0|1,0,1]=4 15135 B11R0.40 CC/C=C\CCSCC(=O)NC 62a_100015370543_100000183359 [0,2,0,0,0,0|1,0,1]=4 15136 B11R0.40 CC/C=C\CCSCC(=O)OC 62a_100000747449_100015370543 [0,2,0,0,0,0|1,0,1]=4 15137 B11R0.40 CC/C=C\CCSCC(=O)OC 62a_100015370543_100000747449 [0,2,0,0,0,0|1,0,1]=4 15138 B11R0.40 CC/C=C\CNCCC(=O)NC 2230a_100000738227_100103147603 [0,2,0,0,0,0|1,0,1]=4 15139 B11R0.40 CC/C=C\CNCCC(=O)NC 34a_100000738227_100103147603 [0,2,0,0,0,0|1,0,1]=4 15140 B11R0.40 CC/C=C\COCCC(=O)NC 34a_100000754576_100103147603 [0,2,0,0,0,0|1,0,1]=4 15141 B11R0.40 CC/C=C\COCCC(=O)NC 34a_100016268518_100012179268 [0,2,0,0,0,0|1,0,1]=4 15142 B11R0.40 CC/C=C\COCCC(=O)OC 34a_100016268518_100000742370 [0,2,0,0,0,0|1,0,1]=4 15143 B11R0.40 CC/C=C\CSCCC(=O)NC 62a_100000737683_100103147603 [0,2,0,0,0,0|1,0,1]=4 15144 B11R0.40 CC/C=C\CSCCC(=O)NC 62a_100103147603_100000737683 [0,2,0,0,0,0|1,0,1]=4 15145 B11R0.40 CC/C=C\CSCCC(=O)OC 62a_100000204255_100103147603 [0,2,0,0,0,0|1,0,1]=4 15146 B11R0.40 CC/C=C\CSCCC(=O)OC 62a_100103147603_100000204255 [0,2,0,0,0,0|1,0,1]=4 15147 B11R0.40 CC=CCCCOCC(=O)NC 34a_100020645299_100000183359 [0,2,0,0,0,0|1,0,1]=4 15148 B11R0.40 CC=CCCCOCC(=O)OC 34a_100020645299_100000747449 [0,2,0,0,0,0|1,0,1]=4 15149 B11R0.40 CC=CCNCCCC(=O)NC 2230a_100000740002_100000070051 [0,2,0,0,0,0|1,0,1]=4 15150 B11R0.40 CC=CCNCCCC(=O)NC 34a_100000740002_100000070051 [0,2,0,0,0,0|1,0,1]=4 15151 B11R0.40 CC=CCNCCNC(=O)CC 34a_100132302217_100000070051 [0,2,0,0,0,0|0,0,2]=4 15152 B11R0.40 CC=CCOCCNC(=O)CC 34a_200000158885_100000070051 [0,2,0,0,0,0|0,0,2]=4 15153 B11R0.40 CC=CCOCCNC(=O)CC 7a_200000158885_100000070051 [0,2,0,0,0,0|0,0,2]=4 15154 B11R0.40 CC=CCOCCOC(=O)CC 7a_200000031056_100000070051 [0,2,0,0,0,0|0,0,2]=4 15155 B11R0.40 CC=CCSCCCC(=O)NC 62a_100000070051_100000741757 [0,2,0,0,0,0|1,0,1]=4 15156 B11R0.40 CC=CCSCCCC(=O)NC 62a_100000741757_100000070051 [0,2,0,0,0,0|1,0,1]=4 15157 B11R0.40 CC=CCSCCCC(=O)OC 62a_100000070051_100011218270 [0,2,0,0,0,0|1,0,1]=4 15158 B11R0.40 CC=CCSCCCC(=O)OC 62a_100011218270_100000070051 [0,2,0,0,0,0|1,0,1]=4 15159 B11R0.40 CCC#CCCOCC(=O)CC 7a_100000036655_100000747405 [0,2,0,0,0,0|0,0,1]=3 15160 B11R0.40 CCC#CCCOCC(=O)NC 34a_100000036655_100000183359 [0,2,0,0,0,0|1,0,1]=4 15161 B11R0.40 CCC#CCCOCC(=O)NC 7a_100000036655_100000183359 [0,2,0,0,0,0|1,0,1]=4 15162 B11R0.40 CCC#CCCOCC(=O)OC 34a_100000036655_100000747449 [0,2,0,0,0,0|1,0,1]=4 15163 B11R0.40 CCC#CCCOCC(=O)OC 7a_100000036655_100000747449 [0,2,0,0,0,0|1,0,1]=4 15164 B11R0.40 CCC#CCNCCC(=O)NC 2230a_100000738227_100009813939 [0,2,0,0,0,0|1,0,1]=4 15165 B11R0.40 CCC#CCNCCC(=O)NC 34a_100000738227_100009813939 [0,2,0,0,0,0|1,0,1]=4 15166 B11R0.40 CCC#CCOCCC(=O)NC 34a_100000032950_100012179268 [0,2,0,0,0,0|1,0,1]=4 15167 B11R0.40 CCC#CCOCCC(=O)NC 34a_100000754576_100009813939 [0,2,0,0,0,0|1,0,1]=4 15168 B11R0.40 CCC#CCOCCC(=O)OC 34a_100000032950_100000742370 [0,2,0,0,0,0|1,0,1]=4 15169 B11R0.40 CCC#CCSCCC(=O)NC 62a_100000737683_100009813939 [0,2,0,0,0,0|1,0,1]=4 15170 B11R0.40 CCC#CCSCCC(=O)NC 62a_100009813939_100000737683 [0,2,0,0,0,0|1,0,1]=4 15171 B11R0.40 CCC#CCSCCC(=O)OC 62a_100000204255_100009813939 [0,2,0,0,0,0|1,0,1]=4 15172 B11R0.40 CCC#CCSCCC(=O)OC 62a_100009813939_100000204255 [0,2,0,0,0,0|1,0,1]=4 15173 B11R0.40 CCC(=O)CCCCCCC#N 1458a_100000210414_100009813337 [0,2,0,0,0,0|0,0,0]=2 15174 B11R0.40 CCC(=O)CCCCCCCO 1458a_100000210414_100000760002 [0,2,0,0,0,0|0,0,0]=2 15175 B11R0.40 CCC(=O)CCCCCCCO 1458a_100011219782_100000210202 [0,2,0,0,0,0|0,0,0]=2 15176 B11R0.40 CCC(=O)CCCCCCOC 1458a_100000210414_100011998445 [0,2,0,0,0,0|0,0,0]=2 15177 B11R0.40 CCC(=O)CCCCCN=[N+]=[N-] 1458a_100009870042_100000210202 [0,2,0,0,0,0|1,0,0]=3 15178 B11R0.40 CCC(=O)CCCOCCOC 1458a_100000210414_100011216529 [0,2,0,0,0,0|0,0,0]=2 15179 B11R0.40 CCC(=O)COCCCCCBr 7a_100000746331_100000747405 [0,2,0,0,0,0|0,0,0]=2 15180 B11R0.40 CCC(=O)COCCCCCCl 7a_100000746330_100000747405 [0,2,0,0,0,0|0,0,0]=2 15181 B11R0.40 CCC(=O)COCCCCCF 34a_100000725409_100000729378 [0,2,0,0,0,0|0,0,0]=2 15182 B11R0.40 CCC(=O)COCCCCCI 7a_200012148887_100000747405 [0,2,0,0,0,0|0,0,0]=2 15183 B11R0.40 CCC(=O)COCCCCCO 34a_100000725409_100000746330 [0,2,0,0,0,0|0,0,0]=2 15184 B11R0.40 CCC(=O)COCCCCOC 34a_100000725409_100000755781 [0,2,0,0,0,0|0,0,0]=2 15185 B11R0.40 CCC(=O)COCCCCSC 7a_100011217163_100000747405 [0,2,0,0,0,0|0,0,0]=2 15186 B11R0.40 CCC(=O)COCCOCCBr 7a_100000692535_100000747405 [0,2,0,0,0,0|1,0,0]=3 15187 B11R0.40 CCC(=O)COCCOCCCl 7a_100011215305_100000747405 [0,2,0,0,0,0|1,0,0]=3 15188 B11R0.40 CCC(=O)COCCOCCF 7a_200015357709_100000747405 [0,2,0,0,0,0|1,0,0]=3 15189 B11R0.40 CCC(=O)COCCOCCI 7a_100012149058_100000747405 [0,2,0,0,0,0|1,0,0]=3 15190 B11R0.40 CCC(=O)COCCOCCO 1458a_106645077154_100000210202 [0,2,0,0,0,0|1,0,0]=3 15191 B11R0.40 CCC(=O)COCCOCCO 34a_100000725409_100000692535 [0,2,0,0,0,0|1,0,0]=3 15192 B11R0.40 CCC(=O)CSCCCCC#N 62a_100000747405_100000211819 [0,2,0,0,0,0|0,0,1]=3 15193 B11R0.40 CCC(=O)CSCCCCC#N 62a_100011219923_100000747405 [0,2,0,0,0,0|0,0,1]=3 15194 B11R0.40 CCC(=O)CSCCCCC=O 62a_100000139335_100000747405 [0,2,0,0,0,0|0,0,1]=3 15195 B11R0.40 CCC(=O)CSCCCCC=O 62a_100000747405_100000139335 [0,2,0,0,0,0|0,0,1]=3 15196 B11R0.40 CCC(=O)CSCCCCCF 62a_100000729378_100000747405 [0,2,0,0,0,0|0,0,0]=2 15197 B11R0.40 CCC(=O)CSCCCCCF 62a_100000747405_100000729378 [0,2,0,0,0,0|0,0,0]=2 15198 B11R0.40 CCC(=O)CSCCCCCO 62a_100000746330_100000747405 [0,2,0,0,0,0|0,0,0]=2 15199 B11R0.40 CCC(=O)CSCCCCCO 62a_100000747405_100000746330 [0,2,0,0,0,0|0,0,0]=2 15200 B11R0.40 CCC(=O)CSCCCCOC 62a_100000730899_100000747405 [0,2,0,0,0,0|0,0,0]=2 15201 B11R0.40 CCC(=O)CSCCCCOC 62a_100000747405_100000730899 [0,2,0,0,0,0|0,0,0]=2 15202 B11R0.40 CCC(=O)CSCCOCC#N 62a_100000747405_200000047693 [0,2,0,0,0,0|1,0,1]=4 15203 B11R0.40 CCC(=O)CSCCOCC#N 62a_200000047693_100000747405 [0,2,0,0,0,0|1,0,1]=4 15204 B11R0.40 CCC(=O)CSCCOCCO 62a_100000747405_100011215305 [0,2,0,0,0,0|1,0,0]=3 15205 B11R0.40 CCC(=O)CSCCOCCO 62a_100011215305_100000747405 [0,2,0,0,0,0|1,0,0]=3 15206 B11R0.40 CCC(=O)CSCOCCOC 62a_100000231047_100000747405 [0,2,0,0,0,0|1,0,0]=3 15207 B11R0.40 CCC(=O)CSCOCCOC 62a_100000747405_100000231047 [0,2,0,0,0,0|1,0,0]=3 15208 B11R0.40 CCC(=O)NCCCCCC#N 11a_100000061152_100000210414 [0,2,0,0,0,0|0,0,1]=3 15209 B11R0.40 CCC(=O)NCCCCCC#N 1626a_100000061152_100000210414 [0,2,0,0,0,0|0,0,1]=3 15210 B11R0.40 CCC(=O)NCCCCCC#N 240690a_100000061152_100000210414 [0,2,0,0,0,0|0,0,1]=3 15211 B11R0.40 CCC(=O)NCCCCCC#N 527a_100000061152_100000210414 [0,2,0,0,0,0|0,0,1]=3 15212 B11R0.40 CCC(=O)NCCCCCCO 240690a_100000686447_100000210414 [0,2,0,0,0,0|0,0,0]=2 15213 B11R0.40 CCC(=O)NCCCCCCO 527a_100000686447_100000210414 [0,2,0,0,0,0|0,0,0]=2 15214 B11R0.40 CCC(=O)NCCCCCOC 11a_100000747528_100000210414 [0,2,0,0,0,0|0,0,0]=2 15215 B11R0.40 CCC(=O)NCCCCCOC 1626a_100000747528_100000210414 [0,2,0,0,0,0|0,0,0]=2 15216 B11R0.40 CCC(=O)NCCCCCOC 240690a_100000747528_100000210414 [0,2,0,0,0,0|0,0,0]=2 15217 B11R0.40 CCC(=O)NCCCCCOC 527a_100000747528_100000210414 [0,2,0,0,0,0|0,0,0]=2 15218 B11R0.40 CCC(=O)NCCCCN=[N+]=[N-] 11a_100000101370_100000210414 [0,2,0,0,0,0|2,0,0]=4 15219 B11R0.40 CCC(=O)NCCCCN=[N+]=[N-] 240690a_100000101370_100000210414 [0,2,0,0,0,0|2,0,0]=4 15220 B11R0.40 CCC(=O)NCCNCCCF 34a_100132302217_100011934791 [0,2,0,0,0,0|1,0,0]=3 15221 B11R0.40 CCC(=O)NCCNCCCO 34a_100132302217_100000230001 [0,2,0,0,0,0|1,0,0]=3 15222 B11R0.40 CCC(=O)NCCNCCOC 34a_100132302217_100011201679 [0,2,0,0,0,0|1,0,0]=3 15223 B11R0.40 CCC(=O)NCCNCCSC 34a_100132302217_100000212216 [0,2,0,0,0,0|1,0,0]=3 15224 B11R0.40 CCC(=O)NCCOCCC#N 7a_200000158885_100000184422 [0,2,0,0,0,0|1,0,1]=4 15225 B11R0.40 CCC(=O)NCCOCCCF 34a_200000158885_100011934791 [0,2,0,0,0,0|1,0,0]=3 15226 B11R0.40 CCC(=O)NCCOCCCF 7a_200000158885_100011934791 [0,2,0,0,0,0|1,0,0]=3 15227 B11R0.40 CCC(=O)NCCOCCCO 34a_200000158885_100000230001 [0,2,0,0,0,0|1,0,0]=3 15228 B11R0.40 CCC(=O)NCCOCCCO 7a_200000158885_100011215043 [0,2,0,0,0,0|1,0,0]=3 15229 B11R0.40 CCC(=O)NCCOCCOC 11a_100000745349_100000210414 [0,2,0,0,0,0|1,0,0]=3 15230 B11R0.40 CCC(=O)NCCOCCOC 1626a_100000745349_100000210414 [0,2,0,0,0,0|1,0,0]=3 15231 B11R0.40 CCC(=O)NCCOCCOC 240690a_100000745349_100000210414 [0,2,0,0,0,0|1,0,0]=3 15232 B11R0.40 CCC(=O)NCCOCCOC 34a_200000158885_100011201679 [0,2,0,0,0,0|1,0,0]=3 15233 B11R0.40 CCC(=O)NCCOCCOC 527a_100000745349_100000210414 [0,2,0,0,0,0|1,0,0]=3 15234 B11R0.40 CCC(=O)NCCOCCOC 7a_200000158885_100000233755 [0,2,0,0,0,0|1,0,0]=3 15235 B11R0.40 CCC(=O)NCCOCCSC 34a_200000158885_100000212216 [0,2,0,0,0,0|1,0,0]=3 15236 B11R0.40 CCC(=O)NCCOCCSC 7a_200000158885_100000212216 [0,2,0,0,0,0|1,0,0]=3 15237 B11R0.40 CCC(=O)NN=CCCCCO 4a_100000183195_100000031955 [0,2,0,0,0,0|1,0,1]=4 15238 B11R0.40 CCC(=O)OCCOCCC#N 7a_200000031056_100000184422 [0,2,0,0,0,0|1,0,1]=4 15239 B11R0.40 CCC(=O)OCCOCCCF 7a_200000031056_100011934791 [0,2,0,0,0,0|1,0,0]=3 15240 B11R0.40 CCC(=O)OCCOCCCO 7a_200000031056_100011215043 [0,2,0,0,0,0|1,0,0]=3 15241 B11R0.40 CCC(=O)OCCOCCOC 7a_200000031056_100000233755 [0,2,0,0,0,0|1,0,0]=3 15242 B11R0.40 CCC(=O)OCCOCCSC 7a_200000031056_100000212216 [0,2,0,0,0,0|1,0,0]=3 15243 B11R0.40 CCC(C)CCCCCOCF 7a_200000035636_100015361967 [0,2,0,0,0,0|1,0,1]=4 15244 B11R0.40 CCC(C)CCCOCCCF 7a_100011216074_100011934791 [0,2,0,0,0,0|1,0,1]=4 15245 B11R0.40 CCC(C)CCCOCCCO 7a_100011216074_100011215043 [0,2,0,0,0,0|1,0,1]=4 15246 B11R0.40 CCC(C)CCCOCCOC 7a_100011216074_100000233755 [0,2,0,0,0,0|1,0,1]=4 15247 B11R0.40 CCC(C)CCCOCCSC 7a_100011216074_100000212216 [0,2,0,0,0,0|1,0,1]=4 15248 B11R0.40 CCC(C)CCNCCCCF 2230a_100020591266_100000729493 [0,2,0,0,0,0|1,0,1]=4 15249 B11R0.40 CCC(C)CCNCCCCO 2230a_100020591266_100000210776 [0,2,0,0,0,0|1,0,1]=4 15250 B11R0.40 CCC(C)CCNCCCOC 2230a_100020591266_100000740836 [0,2,0,0,0,0|1,0,1]=4 15251 B11R0.40 CCC(C)CCOCCCCF 7a_100011215188_100000729493 [0,2,0,0,0,0|1,0,1]=4 15252 B11R0.40 CCC(C)CCOCCCCO 7a_100011215188_100000210776 [0,2,0,0,0,0|1,0,1]=4 15253 B11R0.40 CCC(C)CCOCCCOC 7a_100011215188_100000740836 [0,2,0,0,0,0|1,0,1]=4 15254 B11R0.40 CCC(C)CNCCCCCF 2230a_100020588543_100000729378 [0,2,0,0,0,0|1,0,1]=4 15255 B11R0.40 CCC(C)CNCCCCCO 2230a_100000762737_100000748023 [0,2,0,0,0,0|1,0,1]=4 15256 B11R0.40 CCC(C)CNCCCCCO 2230a_100020588543_100000746330 [0,2,0,0,0,0|1,0,1]=4 15257 B11R0.40 CCC(C)CNCCCCCO 270004a_100000762737_100000243153 [0,2,0,0,0,0|1,0,1]=4 15258 B11R0.40 CCC(C)CNCCCCCO 34a_100000762737_100000748023 [0,2,0,0,0,0|1,0,1]=4 15259 B11R0.40 CCC(C)CNCCCCOC 2230a_100020588543_100000730899 [0,2,0,0,0,0|1,0,1]=4 15260 B11R0.40 CCC(C)COCCCCCBr 34a_100000746331_100000748023 [0,2,0,0,0,0|1,0,1]=4 15261 B11R0.40 CCC(C)COCCCCCBr 7a_100000746331_100000748023 [0,2,0,0,0,0|1,0,1]=4 15262 B11R0.40 CCC(C)COCCCCCCl 34a_100000746330_100000748023 [0,2,0,0,0,0|1,0,1]=4 15263 B11R0.40 CCC(C)COCCCCCCl 7a_100000746330_100000748023 [0,2,0,0,0,0|1,0,1]=4 15264 B11R0.40 CCC(C)COCCCCCI 34a_200012148887_100000748023 [0,2,0,0,0,0|1,0,1]=4 15265 B11R0.40 CCC(C)COCCCCCI 7a_200012148887_100000748023 [0,2,0,0,0,0|1,0,1]=4 15266 B11R0.40 CCC(C)COCCCCCN 34a_100000762737_100000748023 [0,2,0,0,0,0|1,0,1]=4 15267 B11R0.40 CCC(C)COCCCCOC 34a_100000740925_100000748023 [0,2,0,0,0,0|1,0,1]=4 15268 B11R0.40 CCC(C)COCCCCSC 34a_100011217163_100000748023 [0,2,0,0,0,0|1,0,1]=4 15269 B11R0.40 CCC(C)COCCCCSC 7a_100011217163_100000748023 [0,2,0,0,0,0|1,0,1]=4 15270 B11R0.40 CCC(C)CSCCCCCF 62a_100000729378_100000748023 [0,2,0,0,0,0|1,0,1]=4 15271 B11R0.40 CCC(C)CSCCCCCF 62a_100000748023_100000729378 [0,2,0,0,0,0|1,0,1]=4 15272 B11R0.40 CCC(C)CSCCCCCO 62a_100000746330_100000748023 [0,2,0,0,0,0|1,0,1]=4 15273 B11R0.40 CCC(C)CSCCCCCO 62a_100000748023_100000746330 [0,2,0,0,0,0|1,0,1]=4 15274 B11R0.40 CCC(C)CSCCCCOC 62a_100000730899_100000748023 [0,2,0,0,0,0|1,0,1]=4 15275 B11R0.40 CCC(C)CSCCCCOC 62a_100000748023_100000730899 [0,2,0,0,0,0|1,0,1]=4 15276 B11R0.40 CCC(C)NCCCCCCF 2230a_100000209981_100015922095 [0,2,0,0,0,0|1,0,1]=4 15277 B11R0.40 CCC(C)NCCCCCCO 2230a_100000209981_100000766143 [0,2,0,0,0,0|1,0,1]=4 15278 B11R0.40 CCC(C)NCCCCCCO 2230a_100000686447_100000758301 [0,2,0,0,0,0|1,0,1]=4 15279 B11R0.40 CCC(C)NCCCCCCO 34a_100000686447_100011215416 [0,2,0,0,0,0|1,0,1]=4 15280 B11R0.40 CCC(C)NCCCCCOC 2230a_100000747528_100000758301 [0,2,0,0,0,0|1,0,1]=4 15281 B11R0.40 CCC(C)NCCCCCOC 34a_100000747528_100011215416 [0,2,0,0,0,0|1,0,1]=4 15282 B11R0.40 CCC(C)OCCCCCCBr 34a_100011215345_100011215416 [0,2,0,0,0,0|1,0,1]=4 15283 B11R0.40 CCC(C)OCCCCCCBr 7a_100011215345_100000758301 [0,2,0,0,0,0|1,0,1]=4 15284 B11R0.40 CCC(C)OCCCCCCCl 34a_100000766143_100011215416 [0,2,0,0,0,0|1,0,1]=4 15285 B11R0.40 CCC(C)OCCCCCCCl 7a_100000766143_100000758301 [0,2,0,0,0,0|1,0,1]=4 15286 B11R0.40 CCC(C)OCCCCCCF 34a_100000732779_100011215416 [0,2,0,0,0,0|1,0,1]=4 15287 B11R0.40 CCC(C)OCCCCCCF 7a_100000210228_100015922095 [0,2,0,0,0,0|1,0,1]=4 15288 B11R0.40 CCC(C)OCCCCCCF 7a_100000732779_100000758301 [0,2,0,0,0,0|1,0,1]=4 15289 B11R0.40 CCC(C)OCCCCCCN 34a_100000686447_100011215416 [0,2,0,0,0,0|1,0,1]=4 15290 B11R0.40 CCC(C)OCCCCCCO 7a_100000210228_100000766143 [0,2,0,0,0,0|1,0,1]=4 15291 B11R0.40 CCC(C)OCCCCCNC 34a_100000722520_100011215416 [0,2,0,0,0,0|1,0,1]=4 15292 B11R0.40 CCC(C)SCCCCCCF 62a_100000758301_100015922095 [0,2,0,0,0,0|1,0,1]=4 15293 B11R0.40 CCC(C)SCCCCCCF 62a_100015922095_100000758301 [0,2,0,0,0,0|1,0,1]=4 15294 B11R0.40 CCC(C)SCCCCCCO 62a_100000758301_100000766143 [0,2,0,0,0,0|1,0,1]=4 15295 B11R0.40 CCC(C)SCCCCCCO 62a_100000766143_100000758301 [0,2,0,0,0,0|1,0,1]=4 15296 B11R0.40 CCC(O)CNCCCCCF 2230a_100011218483_100000729378 [0,2,0,0,0,0|0,0,2]=4 15297 B11R0.40 CCC(O)CNCCCCCO 2230a_100000762737_100011218378 [0,2,0,0,0,0|0,0,2]=4 15298 B11R0.40 CCC(O)CNCCCCCO 2230a_100011218483_100000746330 [0,2,0,0,0,0|0,0,2]=4 15299 B11R0.40 CCC(O)CNCCCCCO 34a_100000762737_100011218378 [0,2,0,0,0,0|0,0,2]=4 15300 B11R0.40 CCC(O)CNCCCCOC 2230a_100011218483_100000730899 [0,2,0,0,0,0|0,0,2]=4 15301 B11R0.40 CCC(O)COCCCCCBr 34a_100000746331_100011218378 [0,2,0,0,0,0|0,0,2]=4 15302 B11R0.40 CCC(O)COCCCCCBr 7a_100000746331_100011218378 [0,2,0,0,0,0|0,0,2]=4 15303 B11R0.40 CCC(O)COCCCCCCl 34a_100000746330_100011218378 [0,2,0,0,0,0|0,0,2]=4 15304 B11R0.40 CCC(O)COCCCCCCl 7a_100000746330_100011218378 [0,2,0,0,0,0|0,0,2]=4 15305 B11R0.40 CCC(O)COCCCCCI 34a_200012148887_100011218378 [0,2,0,0,0,0|0,0,2]=4 15306 B11R0.40 CCC(O)COCCCCCI 7a_200012148887_100011218378 [0,2,0,0,0,0|0,0,2]=4 15307 B11R0.40 CCC(O)COCCCCCN 34a_100000762737_100011218378 [0,2,0,0,0,0|0,0,2]=4 15308 B11R0.40 CCC(O)COCCCCOC 34a_100000740925_100011218378 [0,2,0,0,0,0|0,0,2]=4 15309 B11R0.40 CCC(O)COCCCCSC 34a_100011217163_100011218378 [0,2,0,0,0,0|0,0,2]=4 15310 B11R0.40 CCC(O)COCCCCSC 7a_100011217163_100011218378 [0,2,0,0,0,0|0,0,2]=4 15311 B11R0.40 CCC(O)CSCCCCCF 62a_100000729378_100011218378 [0,2,0,0,0,0|0,0,2]=4 15312 B11R0.40 CCC(O)CSCCCCCF 62a_100011218378_100000729378 [0,2,0,0,0,0|0,0,2]=4 15313 B11R0.40 CCC(O)CSCCCCCO 62a_100000746330_100011218378 [0,2,0,0,0,0|0,0,2]=4 15314 B11R0.40 CCC(O)CSCCCCCO 62a_100011218378_100000746330 [0,2,0,0,0,0|0,0,2]=4 15315 B11R0.40 CCC(O)CSCCCCOC 62a_100000730899_100011218378 [0,2,0,0,0,0|0,0,2]=4 15316 B11R0.40 CCC(O)CSCCCCOC 62a_100011218378_100000730899 [0,2,0,0,0,0|0,0,2]=4 15317 B11R0.40 CCC/C=C/COCC(=O)CC 7a_100016278788_100000747405 [0,2,0,0,0,0|0,0,1]=3 15318 B11R0.40 CCC/C=C/COCC(=O)NC 34a_100016278788_100000183359 [0,2,0,0,0,0|1,0,1]=4 15319 B11R0.40 CCC/C=C/COCC(=O)NC 7a_100016278788_100000183359 [0,2,0,0,0,0|1,0,1]=4 15320 B11R0.40 CCC/C=C/COCC(=O)OC 34a_100016278788_100000747449 [0,2,0,0,0,0|1,0,1]=4 15321 B11R0.40 CCC/C=C/COCC(=O)OC 7a_100016278788_100000747449 [0,2,0,0,0,0|1,0,1]=4 15322 B11R0.40 CCCC#CCOCC(=O)CC 7a_100000034806_100000747405 [0,2,0,0,0,0|0,0,1]=3 15323 B11R0.40 CCCC#CCOCC(=O)NC 34a_100000034806_100000183359 [0,2,0,0,0,0|1,0,1]=4 15324 B11R0.40 CCCC#CCOCC(=O)NC 7a_100000034806_100000183359 [0,2,0,0,0,0|1,0,1]=4 15325 B11R0.40 CCCC#CCOCC(=O)OC 34a_100000034806_100000747449 [0,2,0,0,0,0|1,0,1]=4 15326 B11R0.40 CCCC#CCOCC(=O)OC 7a_100000034806_100000747449 [0,2,0,0,0,0|1,0,1]=4 15327 B11R0.40 CCCCC/C=C/CC(=O)CC 1458a_100020675968_100000210202 [0,2,0,0,0,0|0,0,0]=2 15328 B11R0.40 CCCCC/C=C/CC(=O)CF 1458a_100020675968_100015361967 [0,2,0,0,0,0|1,0,0]=3 15329 B11R0.40 CCCCC/C=C/CC(=O)NC 11a_106832991635_100020675968 [0,2,0,0,0,0|1,0,0]=3 15330 B11R0.40 CCCCC/C=C/CC(=O)NC 1626a_100102657272_100020675968 [0,2,0,0,0,0|1,0,0]=3 15331 B11R0.40 CCCCC/C=C/CC(=O)NC 240690a_100102657272_100020675968 [0,2,0,0,0,0|1,0,0]=3 15332 B11R0.40 CCCCCC#CCC(=O)CC 1458a_100000210414_100009816472 [0,2,0,0,0,0|0,0,0]=2 15333 B11R0.40 CCCCCC#CCC(=O)CO 1458a_100000210174_100009816472 [0,2,0,0,0,0|1,0,0]=3 15334 B11R0.40 CCCCCC#CCN(C)CC 2230a_100000225621_100009816472 [0,2,0,0,0,0|2,0,0]=4 15335 B11R0.40 CCCCCC#CCN(C)CC 269982a_100000225621_100009816472 [0,2,0,0,0,0|2,0,0]=4 15336 B11R0.40 CCCCCC=NNC(=O)CC 4a_100000183195_100000737632 [0,2,0,0,0,0|0,0,1]=3 15337 B11R0.40 CCCCCCC=CC(=O)CC 1458a_200015324643_100000210202 [0,2,0,0,0,0|0,0,0]=2 15338 B11R0.40 CCCCCCC=CC(=O)CF 1458a_200015324643_100015361967 [0,2,0,0,0,0|1,0,0]=3 15339 B11R0.40 CCCCCCC=CC(=O)NC 11a_106832991635_200015324643 [0,2,0,0,0,0|1,0,0]=3 15340 B11R0.40 CCCCCCC=CC(=O)NC 1626a_100102657272_200015324643 [0,2,0,0,0,0|1,0,0]=3 15341 B11R0.40 CCCCCCC=CC(=O)NC 240690a_100102657272_200015324643 [0,2,0,0,0,0|1,0,0]=3 15342 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210188_100000210202 [0,2,0,0,0,0|0,0,0]=2 15343 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210414_100000210759 [0,2,0,0,0,0|0,0,0]=2 15344 B11R0.40 CCCCCCCCC(=O)CF 1458a_100000210188_100015361967 [0,2,0,0,0,0|1,0,0]=3 15345 B11R0.40 CCCCCCCCC(=O)CO 1458a_100000210174_100000210759 [0,2,0,0,0,0|1,0,0]=3 15346 B11R0.40 CCCCCCCCC(=O)NC 11a_106832991635_100000210188 [0,2,0,0,0,0|1,0,0]=3 15347 B11R0.40 CCCCCCCCC(=O)NC 1626a_100102657272_100000210188 [0,2,0,0,0,0|1,0,0]=3 15348 B11R0.40 CCCCCCCCC(=O)NC 240690a_100102657272_100000210188 [0,2,0,0,0,0|1,0,0]=3 15349 B11R0.40 CCCCCCCCC(=O)NC 527a_100102657272_100000210188 [0,2,0,0,0,0|1,0,0]=3 15350 B11R0.40 CCCCCCCCN(C)CC 2230a_100000207567_100000210202 [0,2,0,0,0,0|2,0,0]=4 15351 B11R0.40 CCCCCCCCN(C)CC 2230a_100000225621_100000210759 [0,2,0,0,0,0|2,0,0]=4 15352 B11R0.40 CCCCCCCCN(C)CC 269982a_100000207567_100000204670 [0,2,0,0,0,0|2,0,0]=4 15353 B11R0.40 CCCCCCCCN(C)CC 269982a_100000225621_100000210759 [0,2,0,0,0,0|2,0,0]=4 15354 B11R0.40 CCCCCCCNC(=O)CC 11a_100000229938_100000210414 [0,2,0,0,0,0|0,0,0]=2 15355 B11R0.40 CCCCCCCNC(=O)CC 1626a_100000229938_100000210414 [0,2,0,0,0,0|0,0,0]=2 15356 B11R0.40 CCCCCCCNC(=O)CC 240690a_100000229938_100000210414 [0,2,0,0,0,0|0,0,0]=2 15357 B11R0.40 CCCCCCCNC(=O)CC 527a_100000229938_100000210414 [0,2,0,0,0,0|0,0,0]=2 15358 B11R0.40 CCCCCCCNC(=O)CO 240690a_100000229938_100000210174 [0,2,0,0,0,0|1,0,0]=3 15359 B11R0.40 CCCCCCCNC(=O)CO 527a_100000229938_100000210174 [0,2,0,0,0,0|1,0,0]=3 15360 B11R0.40 CCCCCCCNC(=O)NC 2708a_100000229938_106832991635 [0,2,0,0,0,0|1,0,0]=3 15361 B11R0.40 CCCCCCCNC(=O)NC 2708a_100102657272_100000229938 [0,2,0,0,0,0|1,0,0]=3 15362 B11R0.40 CCCCCCCNC(=O)NC 273464a_100000229938_100102657272 [0,2,0,0,0,0|1,0,0]=3 15363 B11R0.40 CCCCCCCNC(=O)NC 273464a_100102657272_100000229938 [0,2,0,0,0,0|1,0,0]=3 15364 B11R0.40 CCCCCCCNC(=O)NC 512a_100000229938_100102657272 [0,2,0,0,0,0|1,0,0]=3 15365 B11R0.40 CCCCCCCNC(=O)NC 512a_106832991638_100000229938 [0,2,0,0,0,0|1,0,0]=3 15366 B11R0.40 CCCCCCCNC(C)CC 2230a_100000209981_100000210681 [0,2,0,0,0,0|1,0,1]=4 15367 B11R0.40 CCCCCCCNC(C)CC 2230a_100000229938_100000758301 [0,2,0,0,0,0|1,0,1]=4 15368 B11R0.40 CCCCCCCOC(C)CC 34a_100000210272_100011215416 [0,2,0,0,0,0|1,0,1]=4 15369 B11R0.40 CCCCCCCOC(C)CC 7a_100000210228_100000210614 [0,2,0,0,0,0|1,0,1]=4 15370 B11R0.40 CCCCCCCOC(C)CC 7a_100000210272_100000758301 [0,2,0,0,0,0|1,0,1]=4 15371 B11R0.40 CCCCCCCSC(C)CC 62a_100000210614_100000758301 [0,2,0,0,0,0|1,0,1]=4 15372 B11R0.40 CCCCCCCSC(C)CC 62a_100000758301_100000210316 [0,2,0,0,0,0|1,0,1]=4 15373 B11R0.40 CCCCCCNCC(=O)NC 2230a_100000210581_100000183359 [0,2,0,0,0,0|1,0,0]=3 15374 B11R0.40 CCCCCCNCC(=O)NC 2230a_100000693194_100000210314 [0,2,0,0,0,0|1,0,0]=3 15375 B11R0.40 CCCCCCNCC(=O)OC 2230a_100000210581_100000747449 [0,2,0,0,0,0|1,0,0]=3 15376 B11R0.40 CCCCCCNCC(C)CC 2230a_100000210581_100000748023 [0,2,0,0,0,0|1,0,1]=4 15377 B11R0.40 CCCCCCNCC(C)CC 2230a_100020588543_100000210314 [0,2,0,0,0,0|1,0,1]=4 15378 B11R0.40 CCCCCCNCC(C)CC 270004a_100000210581_100000243153 [0,2,0,0,0,0|1,0,1]=4 15379 B11R0.40 CCCCCCNCC(O)CC 2230a_100000210581_100011218378 [0,2,0,0,0,0|0,0,2]=4 15380 B11R0.40 CCCCCCNCC(O)CC 2230a_100011218483_100000210314 [0,2,0,0,0,0|0,0,2]=4 15381 B11R0.40 CCCCCCNC[C@@H](C)CC 2230a_100000210581_100009816398 [0,2,0,0,0,0|1,0,1]=4 15382 B11R0.40 CCCCCCOCC(=O)CC 34a_100000725409_100000210314 [0,2,0,0,0,0|0,0,0]=2 15383 B11R0.40 CCCCCCOCC(=O)CC 7a_100000210259_100000747405 [0,2,0,0,0,0|0,0,0]=2 15384 B11R0.40 CCCCCCOCC(=O)NC 34a_100000210259_100000183359 [0,2,0,0,0,0|1,0,0]=3 15385 B11R0.40 CCCCCCOCC(=O)NC 34a_100000750040_100000210314 [0,2,0,0,0,0|1,0,0]=3 15386 B11R0.40 CCCCCCOCC(=O)NC 7a_100000210259_100000183359 [0,2,0,0,0,0|1,0,0]=3 15387 B11R0.40 CCCCCCOCC(=O)OC 34a_100000210259_100000747449 [0,2,0,0,0,0|1,0,0]=3 15388 B11R0.40 CCCCCCOCC(=O)OC 7a_100000210259_100000747449 [0,2,0,0,0,0|1,0,0]=3 15389 B11R0.40 CCCCCCOCC(C)CC 34a_100000210259_100000748023 [0,2,0,0,0,0|1,0,1]=4 15390 B11R0.40 CCCCCCOCC(C)CC 7a_100000210259_100000748023 [0,2,0,0,0,0|1,0,1]=4 15391 B11R0.40 CCCCCCOCC(O)CC 34a_100000210259_100011218378 [0,2,0,0,0,0|0,0,2]=4 15392 B11R0.40 CCCCCCOCC(O)CC 7a_100000210259_100011218378 [0,2,0,0,0,0|0,0,2]=4 15393 B11R0.40 CCCCCCOC[C@@H](C)CC 34a_100000210259_100009816398 [0,2,0,0,0,0|1,0,1]=4 15394 B11R0.40 CCCCCCOC[C@@H](C)CC 7a_100000210259_100009816398 [0,2,0,0,0,0|1,0,1]=4 15395 B11R0.40 CCCCCCOC[C@@H](C)CC 7a_100009816381_100000210314 [0,2,0,0,0,0|1,0,1]=4 15396 B11R0.40 CCCCCCSCC(=O)CC 62a_100000210314_100000747405 [0,2,0,0,0,0|0,0,0]=2 15397 B11R0.40 CCCCCCSCC(=O)CC 62a_100000747405_100000210757 [0,2,0,0,0,0|0,0,0]=2 15398 B11R0.40 CCCCCCSCC(=O)NC 62a_100000183359_100000210757 [0,2,0,0,0,0|1,0,0]=3 15399 B11R0.40 CCCCCCSCC(=O)NC 62a_100000210314_100000183359 [0,2,0,0,0,0|1,0,0]=3 15400 B11R0.40 CCCCCCSCC(=O)OC 62a_100000210314_100000747449 [0,2,0,0,0,0|1,0,0]=3 15401 B11R0.40 CCCCCCSCC(=O)OC 62a_100000747449_100000210757 [0,2,0,0,0,0|1,0,0]=3 15402 B11R0.40 CCCCCCSCC(C)CC 62a_100000210314_100000748023 [0,2,0,0,0,0|1,0,1]=4 15403 B11R0.40 CCCCCCSCC(C)CC 62a_100000748023_100000210757 [0,2,0,0,0,0|1,0,1]=4 15404 B11R0.40 CCCCCCSCC(O)CC 62a_100000210314_100011218378 [0,2,0,0,0,0|0,0,2]=4 15405 B11R0.40 CCCCCCSCC(O)CC 62a_100011218378_100000210757 [0,2,0,0,0,0|0,0,2]=4 15406 B11R0.40 CCCCCCSC[C@@H](C)CC 62a_100000210314_100009816398 [0,2,0,0,0,0|1,0,1]=4 15407 B11R0.40 CCCCCCSC[C@@H](C)CC 62a_100009816398_100000210757 [0,2,0,0,0,0|1,0,1]=4 15408 B11R0.40 CCCCCNCCC(=O)NC 2230a_100000209983_100000737683 [0,2,0,0,0,0|1,0,0]=3 15409 B11R0.40 CCCCCNCCC(=O)NC 2230a_100000738227_100000210326 [0,2,0,0,0,0|1,0,0]=3 15410 B11R0.40 CCCCCNCCC(=O)NC 34a_100000738227_100000718602 [0,2,0,0,0,0|1,0,0]=3 15411 B11R0.40 CCCCCNCCC(=O)OC 2230a_100000209983_100000204255 [0,2,0,0,0,0|1,0,0]=3 15412 B11R0.40 CCCCCNCCC(C)CC 2230a_100020591266_100000210326 [0,2,0,0,0,0|1,0,1]=4 15413 B11R0.40 CCCCCNN=CC(=O)OC 4a_100000694160_200011823558 [0,2,0,0,0,0|1,0,1]=4 15414 B11R0.40 CCCCCOCCC(=O)NC 34a_100000210253_100012179268 [0,2,0,0,0,0|1,0,0]=3 15415 B11R0.40 CCCCCOCCC(=O)NC 34a_100000754576_100000718602 [0,2,0,0,0,0|1,0,0]=3 15416 B11R0.40 CCCCCOCCC(=O)NC 7a_100000210253_100000737683 [0,2,0,0,0,0|1,0,0]=3 15417 B11R0.40 CCCCCOCCC(=O)OC 34a_100000210253_100000742370 [0,2,0,0,0,0|1,0,0]=3 15418 B11R0.40 CCCCCOCCC(=O)OC 7a_100000210253_100000204255 [0,2,0,0,0,0|1,0,0]=3 15419 B11R0.40 CCCCCOCCC(C)CC 7a_100011215188_100000210326 [0,2,0,0,0,0|1,0,1]=4 15420 B11R0.40 CCCCCSCCC(=O)NC 62a_100000210326_100000737683 [0,2,0,0,0,0|1,0,0]=3 15421 B11R0.40 CCCCCSCCC(=O)NC 62a_100000737683_100000210326 [0,2,0,0,0,0|1,0,0]=3 15422 B11R0.40 CCCCCSCCC(=O)OC 62a_100000204255_100000210326 [0,2,0,0,0,0|1,0,0]=3 15423 B11R0.40 CCCCCSCCC(=O)OC 62a_100000210326_100000204255 [0,2,0,0,0,0|1,0,0]=3 15424 B11R0.40 CCCCCSCOC(=O)OC 62a_100000210326_100000139417 [0,2,0,0,0,0|1,0,0]=3 15425 B11R0.40 CCCCNC/C=C/C(=O)OC 2230a_100000102301_100000742655 [0,2,0,0,0,0|1,0,1]=4 15426 B11R0.40 CCCCNC/C=C/C(=O)OC 7a_106832991798_100000742655 [0,2,0,0,0,0|1,0,1]=4 15427 B11R0.40 CCCCNCCCC(=O)NC 2230a_100000102301_100000741757 [0,2,0,0,0,0|1,0,0]=3 15428 B11R0.40 CCCCNCCCC(=O)NC 2230a_100000740002_100000210211 [0,2,0,0,0,0|1,0,0]=3 15429 B11R0.40 CCCCNCCCC(=O)NC 34a_100000740002_100000210210 [0,2,0,0,0,0|1,0,0]=3 15430 B11R0.40 CCCCNCCCC(=O)NC 7a_106832991798_100000741757 [0,2,0,0,0,0|1,0,0]=3 15431 B11R0.40 CCCCNCCCC(=O)OC 2230a_100000102301_100011218270 [0,2,0,0,0,0|1,0,0]=3 15432 B11R0.40 CCCCNCCCC(=O)OC 7a_106832991798_100011218270 [0,2,0,0,0,0|1,0,0]=3 15433 B11R0.40 CCCCNCCCN(C)CC 2230a_100000102301_100015186262 [0,2,0,0,0,0|2,0,0]=4 15434 B11R0.40 CCCCNCCCN(C)CC 7a_106832991798_100015186262 [0,2,0,0,0,0|2,0,0]=4 15435 B11R0.40 CCCCNCCNC(=O)CC 34a_100132302217_100000210210 [0,2,0,0,0,0|0,0,0]=2 15436 B11R0.40 CCCCNCCNC(=O)NC 34a_100015205895_100000210210 [0,2,0,0,0,0|1,0,0]=3 15437 B11R0.40 CCCCNCCOC(=O)NC 7a_106832991798_200011997002 [0,2,0,0,0,0|1,0,0]=3 15438 B11R0.40 CCCCNN=CCC(=O)OC 4a_100025702795_200011552997 [0,2,0,0,0,0|1,0,1]=4 15439 B11R0.40 CCCCOC/C=C/C(=O)OC 34a_100000210227_100000742655 [0,2,0,0,0,0|1,0,1]=4 15440 B11R0.40 CCCCOC/C=C/C(=O)OC 7a_100000210227_100000742655 [0,2,0,0,0,0|1,0,1]=4 15441 B11R0.40 CCCCOCCCC(=O)NC 34a_100000210227_100000741757 [0,2,0,0,0,0|1,0,0]=3 15442 B11R0.40 CCCCOCCCC(=O)NC 7a_100000210227_100000741757 [0,2,0,0,0,0|1,0,0]=3 15443 B11R0.40 CCCCOCCCC(=O)NN 34a_100000211488_100000210210 [0,2,0,0,0,0|2,0,0]=4 15444 B11R0.40 CCCCOCCCC(=O)OC 34a_100000210227_100000742333 [0,2,0,0,0,0|1,0,0]=3 15445 B11R0.40 CCCCOCCCC(=O)OC 7a_100000210227_100011218270 [0,2,0,0,0,0|1,0,0]=3 15446 B11R0.40 CCCCOCCCC(C)CC 7a_100011216074_100000210211 [0,2,0,0,0,0|1,0,1]=4 15447 B11R0.40 CCCCOCCCN(C)CC 7a_100000210227_100015186262 [0,2,0,0,0,0|2,0,0]=4 15448 B11R0.40 CCCCOCCNC(=O)CC 34a_200000158885_100000210210 [0,2,0,0,0,0|0,0,0]=2 15449 B11R0.40 CCCCOCCNC(=O)CC 7a_200000158885_100000210211 [0,2,0,0,0,0|0,0,0]=2 15450 B11R0.40 CCCCOCCNC(=O)OC 34a_100000757965_100000210210 [0,2,0,0,0,0|1,0,0]=3 15451 B11R0.40 CCCCOCCNC(C)CC 2230a_100000209981_100000743108 [0,2,0,0,0,0|1,0,1]=4 15452 B11R0.40 CCCCOCCOC(=O)CC 7a_200000031056_100000210211 [0,2,0,0,0,0|0,0,0]=2 15453 B11R0.40 CCCCOCCOC(=O)NC 34a_100000210227_200011997002 [0,2,0,0,0,0|1,0,0]=3 15454 B11R0.40 CCCCOCCOC(=O)NC 7a_100000210227_200011997002 [0,2,0,0,0,0|1,0,0]=3 15455 B11R0.40 CCCCOCCOC(=O)OC 34a_100010262106_100000210210 [0,2,0,0,0,0|1,0,0]=3 15456 B11R0.40 CCCCOCCOC(C)CC 34a_100000210238_100011215416 [0,2,0,0,0,0|1,0,1]=4 15457 B11R0.40 CCCCOCCOC(C)CC 7a_100000210228_100000743108 [0,2,0,0,0,0|1,0,1]=4 15458 B11R0.40 CCCCOCCOC(C)CC 7a_100000210238_100000758301 [0,2,0,0,0,0|1,0,1]=4 15459 B11R0.40 CCCCOCCSC(C)CC 62a_100000743108_100000758301 [0,2,0,0,0,0|1,0,1]=4 15460 B11R0.40 CCCCOCCSC(C)CC 62a_100000758301_100000743108 [0,2,0,0,0,0|1,0,1]=4 15461 B11R0.40 CCCCOCNCC(=O)NC 2230a_100000693194_100011995733 [0,2,0,0,0,0|1,0,0]=3 15462 B11R0.40 CCCCOCNCC(C)CC 2230a_100020588543_100011995733 [0,2,0,0,0,0|1,0,1]=4 15463 B11R0.40 CCCCOCNCC(O)CC 2230a_100011218483_100011995733 [0,2,0,0,0,0|0,0,2]=4 15464 B11R0.40 CCCCOCOCC(=O)CC 34a_100000725409_100011995733 [0,2,0,0,0,0|0,0,0]=2 15465 B11R0.40 CCCCOCOCC(=O)NC 34a_100000750040_100011995733 [0,2,0,0,0,0|1,0,0]=3 15466 B11R0.40 CCCCOCSCC(=O)CC 62a_100000747405_100011995733 [0,2,0,0,0,0|0,0,0]=2 15467 B11R0.40 CCCCOCSCC(=O)CC 62a_100011995733_100000747405 [0,2,0,0,0,0|0,0,0]=2 15468 B11R0.40 CCCCOCSCC(=O)NC 62a_100000183359_100011995733 [0,2,0,0,0,0|1,0,0]=3 15469 B11R0.40 CCCCOCSCC(=O)NC 62a_100011995733_100000183359 [0,2,0,0,0,0|1,0,0]=3 15470 B11R0.40 CCCCOCSCC(=O)OC 62a_100000747449_100011995733 [0,2,0,0,0,0|1,0,0]=3 15471 B11R0.40 CCCCOCSCC(=O)OC 62a_100011995733_100000747449 [0,2,0,0,0,0|1,0,0]=3 15472 B11R0.40 CCCCOCSCC(C)CC 62a_100000748023_100011995733 [0,2,0,0,0,0|1,0,1]=4 15473 B11R0.40 CCCCOCSCC(C)CC 62a_100011995733_100000748023 [0,2,0,0,0,0|1,0,1]=4 15474 B11R0.40 CCCCOCSCC(O)CC 62a_100011218378_100011995733 [0,2,0,0,0,0|0,0,2]=4 15475 B11R0.40 CCCCOCSCC(O)CC 62a_100011995733_100011218378 [0,2,0,0,0,0|0,0,2]=4 15476 B11R0.40 CCCCOCSC[C@@H](C)CC 62a_100009816398_100011995733 [0,2,0,0,0,0|1,0,1]=4 15477 B11R0.40 CCCCOCSC[C@@H](C)CC 62a_100011995733_100009816398 [0,2,0,0,0,0|1,0,1]=4 15478 B11R0.40 CCCCSC/C=C/C(=O)OC 62a_100000210211_100000742655 [0,2,0,0,0,0|1,0,1]=4 15479 B11R0.40 CCCCSC/C=C/C(=O)OC 62a_100000742655_100000210210 [0,2,0,0,0,0|1,0,1]=4 15480 B11R0.40 CCCCSCCCC(=O)NC 62a_100000210211_100000741757 [0,2,0,0,0,0|1,0,0]=3 15481 B11R0.40 CCCCSCCCC(=O)NC 62a_100000741757_100000210210 [0,2,0,0,0,0|1,0,0]=3 15482 B11R0.40 CCCCSCCCC(=O)OC 62a_100000210211_100011218270 [0,2,0,0,0,0|1,0,0]=3 15483 B11R0.40 CCCCSCCCC(=O)OC 62a_100011218270_100000210210 [0,2,0,0,0,0|1,0,0]=3 15484 B11R0.40 CCCCSCCCN(C)CC 62a_100000210211_100015186262 [0,2,0,0,0,0|2,0,0]=4 15485 B11R0.40 CCCCSCCNC(=O)CC 11a_100025743550_100000210414 [0,2,0,0,0,0|0,0,0]=2 15486 B11R0.40 CCCCSCCNC(=O)CC 1626a_100025743550_100000210414 [0,2,0,0,0,0|0,0,0]=2 15487 B11R0.40 CCCCSCCNC(=O)CC 240690a_100025743550_100000210414 [0,2,0,0,0,0|0,0,0]=2 15488 B11R0.40 CCCCSCCNC(=O)CC 527a_100025743550_100000210414 [0,2,0,0,0,0|0,0,0]=2 15489 B11R0.40 CCCCSCCNC(=O)CO 240690a_100025743550_100000210174 [0,2,0,0,0,0|1,0,0]=3 15490 B11R0.40 CCCCSCCNC(=O)CO 527a_100025743550_100000210174 [0,2,0,0,0,0|1,0,0]=3 15491 B11R0.40 CCCCSCCNC(=O)NC 2708a_100025743550_106832991635 [0,2,0,0,0,0|1,0,0]=3 15492 B11R0.40 CCCCSCCNC(=O)NC 2708a_100102657272_100025743550 [0,2,0,0,0,0|1,0,0]=3 15493 B11R0.40 CCCCSCCNC(=O)NC 273464a_100025743550_100102657272 [0,2,0,0,0,0|1,0,0]=3 15494 B11R0.40 CCCCSCCNC(=O)NC 273464a_100102657272_100025743550 [0,2,0,0,0,0|1,0,0]=3 15495 B11R0.40 CCCCSCCNC(=O)NC 512a_100025743550_100102657272 [0,2,0,0,0,0|1,0,0]=3 15496 B11R0.40 CCCCSCCNC(=O)NC 512a_106832991638_100025743550 [0,2,0,0,0,0|1,0,0]=3 15497 B11R0.40 CCCCSCCNC(C)CC 2230a_100025743550_100000758301 [0,2,0,0,0,0|1,0,1]=4 15498 B11R0.40 CCCCSCCOC(=O)NC 62a_100000210211_200011997002 [0,2,0,0,0,0|1,0,0]=3 15499 B11R0.40 CCCCSCCOC(=O)NC 62a_200011997002_100000210210 [0,2,0,0,0,0|1,0,0]=3 15500 B11R0.40 CCCCSCCOC(C)CC 34a_200000230436_100011215416 [0,2,0,0,0,0|1,0,1]=4 15501 B11R0.40 CCCCSCCOC(C)CC 7a_200000230436_100000758301 [0,2,0,0,0,0|1,0,1]=4 15502 B11R0.40 CCCNN=CCCC(=O)OC 4a_100000740057_100012047195 [0,2,0,0,0,0|1,0,1]=4 15503 B11R0.40 CCCOCCCCC(=O)OC 34a_100000059025_100000210303 [0,2,0,0,0,0|1,0,0]=3 15504 B11R0.40 CCCOCCCCC(=O)OC 34a_100000210258_100000204269 [0,2,0,0,0,0|1,0,0]=3 15505 B11R0.40 CCCOCCCCC(=O)OC 7a_100000059025_100000210303 [0,2,0,0,0,0|1,0,0]=3 15506 B11R0.40 CCCOCCCNC(=O)CC 1626a_100011217757_100000210414 [0,2,0,0,0,0|0,0,0]=2 15507 B11R0.40 CCCOCCCNC(=O)CC 240690a_100011217757_100000210414 [0,2,0,0,0,0|0,0,0]=2 15508 B11R0.40 CCCOCCCNC(=O)CC 527a_100011217757_100000210414 [0,2,0,0,0,0|0,0,0]=2 15509 B11R0.40 CCCOCCCNC(=O)CO 240690a_100011217757_100000210174 [0,2,0,0,0,0|1,0,0]=3 15510 B11R0.40 CCCOCCCNC(=O)CO 527a_100011217757_100000210174 [0,2,0,0,0,0|1,0,0]=3 15511 B11R0.40 CCCOCCCNC(=O)NC 2708a_100011217757_106832991635 [0,2,0,0,0,0|1,0,0]=3 15512 B11R0.40 CCCOCCCNC(=O)NC 2708a_100102657272_100011217757 [0,2,0,0,0,0|1,0,0]=3 15513 B11R0.40 CCCOCCCNC(=O)NC 273464a_100011217757_100102657272 [0,2,0,0,0,0|1,0,0]=3 15514 B11R0.40 CCCOCCCNC(=O)NC 273464a_100102657272_100011217757 [0,2,0,0,0,0|1,0,0]=3 15515 B11R0.40 CCCOCCCNC(=O)NC 512a_100011217757_100102657272 [0,2,0,0,0,0|1,0,0]=3 15516 B11R0.40 CCCOCCCNC(=O)NC 512a_106832991638_100011217757 [0,2,0,0,0,0|1,0,0]=3 15517 B11R0.40 CCCOCCCNC(C)CC 2230a_100011217757_100000758301 [0,2,0,0,0,0|1,0,1]=4 15518 B11R0.40 CCCOCCCNC(C)CC 34a_100011217757_100011215416 [0,2,0,0,0,0|1,0,1]=4 15519 B11R0.40 CCCOCCNCC(=O)NC 2230a_100000693194_100011215938 [0,2,0,0,0,0|1,0,0]=3 15520 B11R0.40 CCCOCCNCC(=O)NC 2230a_100161115042_100000183359 [0,2,0,0,0,0|1,0,0]=3 15521 B11R0.40 CCCOCCNCC(=O)NC 34a_100161115042_100000183359 [0,2,0,0,0,0|1,0,0]=3 15522 B11R0.40 CCCOCCNCC(=O)OC 2230a_100161115042_100000747449 [0,2,0,0,0,0|1,0,0]=3 15523 B11R0.40 CCCOCCNCC(=O)OC 34a_100161115042_100000747449 [0,2,0,0,0,0|1,0,0]=3 15524 B11R0.40 CCCOCCNCC(C)CC 2230a_100020588543_100011215938 [0,2,0,0,0,0|1,0,1]=4 15525 B11R0.40 CCCOCCNCC(C)CC 2230a_100161115042_100000748023 [0,2,0,0,0,0|1,0,1]=4 15526 B11R0.40 CCCOCCNCC(C)CC 270004a_100161115042_100000243153 [0,2,0,0,0,0|1,0,1]=4 15527 B11R0.40 CCCOCCNCC(C)CC 34a_100161115042_100000748023 [0,2,0,0,0,0|1,0,1]=4 15528 B11R0.40 CCCOCCNCC(O)CC 2230a_100011218483_100011215938 [0,2,0,0,0,0|0,0,2]=4 15529 B11R0.40 CCCOCCNCC(O)CC 2230a_100161115042_100011218378 [0,2,0,0,0,0|0,0,2]=4 15530 B11R0.40 CCCOCCNCC(O)CC 34a_100161115042_100011218378 [0,2,0,0,0,0|0,0,2]=4 15531 B11R0.40 CCCOCCNC[C@@H](C)CC 2230a_100161115042_100009816398 [0,2,0,0,0,0|1,0,1]=4 15532 B11R0.40 CCCOCCNC[C@@H](C)CC 34a_100161115042_100009816398 [0,2,0,0,0,0|1,0,1]=4 15533 B11R0.40 CCCOCCOCC(=O)CC 34a_100000725409_100011215938 [0,2,0,0,0,0|0,0,0]=2 15534 B11R0.40 CCCOCCOCC(=O)CC 7a_100000752267_100000747405 [0,2,0,0,0,0|0,0,0]=2 15535 B11R0.40 CCCOCCOCC(=O)NC 34a_100000750040_100011215938 [0,2,0,0,0,0|1,0,0]=3 15536 B11R0.40 CCCOCCOCC(=O)NC 34a_100000752267_100000183359 [0,2,0,0,0,0|1,0,0]=3 15537 B11R0.40 CCCOCCOCC(=O)NC 7a_100000752267_100000183359 [0,2,0,0,0,0|1,0,0]=3 15538 B11R0.40 CCCOCCOCC(=O)OC 34a_100000210258_100000090808 [0,2,0,0,0,0|1,0,0]=3 15539 B11R0.40 CCCOCCOCC(=O)OC 34a_100000752267_100000747449 [0,2,0,0,0,0|1,0,0]=3 15540 B11R0.40 CCCOCCOCC(=O)OC 7a_100000752267_100000747449 [0,2,0,0,0,0|1,0,0]=3 15541 B11R0.40 CCCOCCOCC(C)CC 34a_100000752267_100000748023 [0,2,0,0,0,0|1,0,1]=4 15542 B11R0.40 CCCOCCOCC(C)CC 7a_100000752267_100000748023 [0,2,0,0,0,0|1,0,1]=4 15543 B11R0.40 CCCOCCOCC(O)CC 34a_100000752267_100011218378 [0,2,0,0,0,0|0,0,2]=4 15544 B11R0.40 CCCOCCOCC(O)CC 7a_100000752267_100011218378 [0,2,0,0,0,0|0,0,2]=4 15545 B11R0.40 CCCOCCOC[C@@H](C)CC 34a_100000752267_100009816398 [0,2,0,0,0,0|1,0,1]=4 15546 B11R0.40 CCCOCCOC[C@@H](C)CC 7a_100000752267_100009816398 [0,2,0,0,0,0|1,0,1]=4 15547 B11R0.40 CCCOCCOC[C@@H](C)CC 7a_100009816381_100011215938 [0,2,0,0,0,0|1,0,1]=4 15548 B11R0.40 CCCOCCSCC(=O)CC 62a_100000747405_100011215938 [0,2,0,0,0,0|0,0,0]=2 15549 B11R0.40 CCCOCCSCC(=O)CC 62a_100011215938_100000747405 [0,2,0,0,0,0|0,0,0]=2 15550 B11R0.40 CCCOCCSCC(=O)NC 62a_100000183359_100011215938 [0,2,0,0,0,0|1,0,0]=3 15551 B11R0.40 CCCOCCSCC(=O)NC 62a_100011215938_100000183359 [0,2,0,0,0,0|1,0,0]=3 15552 B11R0.40 CCCOCCSCC(=O)OC 62a_100000747449_100011215938 [0,2,0,0,0,0|1,0,0]=3 15553 B11R0.40 CCCOCCSCC(=O)OC 62a_100011215938_100000747449 [0,2,0,0,0,0|1,0,0]=3 15554 B11R0.40 CCCOCCSCC(C)CC 62a_100000748023_100011215938 [0,2,0,0,0,0|1,0,1]=4 15555 B11R0.40 CCCOCCSCC(C)CC 62a_100011215938_100000748023 [0,2,0,0,0,0|1,0,1]=4 15556 B11R0.40 CCCOCCSCC(O)CC 62a_100011215938_100011218378 [0,2,0,0,0,0|0,0,2]=4 15557 B11R0.40 CCCOCCSCC(O)CC 62a_100011218378_100011215938 [0,2,0,0,0,0|0,0,2]=4 15558 B11R0.40 CCCOCCSC[C@@H](C)CC 62a_100009816398_100011215938 [0,2,0,0,0,0|1,0,1]=4 15559 B11R0.40 CCCOCCSC[C@@H](C)CC 62a_100011215938_100009816398 [0,2,0,0,0,0|1,0,1]=4 15560 B11R0.40 CCCSCCCCC(=O)OC 62a_100000204269_100000210303 [0,2,0,0,0,0|1,0,0]=3 15561 B11R0.40 CCCSCCCCC(=O)OC 62a_100000210303_100000204269 [0,2,0,0,0,0|1,0,0]=3 15562 B11R0.40 CCCSCCNCC(=O)NC 2230a_100020603323_100000183359 [0,2,0,0,0,0|1,0,0]=3 15563 B11R0.40 CCCSCCNCC(=O)OC 2230a_100020603323_100000747449 [0,2,0,0,0,0|1,0,0]=3 15564 B11R0.40 CCCSCCNCC(C)CC 2230a_100020603323_100000748023 [0,2,0,0,0,0|1,0,1]=4 15565 B11R0.40 CCCSCCNCC(C)CC 270004a_100020603323_100000243153 [0,2,0,0,0,0|1,0,1]=4 15566 B11R0.40 CCCSCCNCC(O)CC 2230a_100020603323_100011218378 [0,2,0,0,0,0|0,0,2]=4 15567 B11R0.40 CCCSCCNC[C@@H](C)CC 2230a_100020603323_100009816398 [0,2,0,0,0,0|1,0,1]=4 15568 B11R0.40 CCCSCCOCC(=O)CC 7a_200000230433_100000747405 [0,2,0,0,0,0|0,0,0]=2 15569 B11R0.40 CCCSCCOCC(=O)NC 34a_200000230433_100000183359 [0,2,0,0,0,0|1,0,0]=3 15570 B11R0.40 CCCSCCOCC(=O)NC 7a_200000230433_100000183359 [0,2,0,0,0,0|1,0,0]=3 15571 B11R0.40 CCCSCCOCC(=O)OC 34a_200000230433_100000747449 [0,2,0,0,0,0|1,0,0]=3 15572 B11R0.40 CCCSCCOCC(=O)OC 62a_100000090808_100000210303 [0,2,0,0,0,0|1,0,0]=3 15573 B11R0.40 CCCSCCOCC(=O)OC 62a_100000210303_100000090808 [0,2,0,0,0,0|1,0,0]=3 15574 B11R0.40 CCCSCCOCC(=O)OC 7a_200000230433_100000747449 [0,2,0,0,0,0|1,0,0]=3 15575 B11R0.40 CCCSCCOCC(C)CC 34a_200000230433_100000748023 [0,2,0,0,0,0|1,0,1]=4 15576 B11R0.40 CCCSCCOCC(C)CC 7a_200000230433_100000748023 [0,2,0,0,0,0|1,0,1]=4 15577 B11R0.40 CCCSCCOCC(O)CC 34a_200000230433_100011218378 [0,2,0,0,0,0|0,0,2]=4 15578 B11R0.40 CCCSCCOCC(O)CC 7a_200000230433_100011218378 [0,2,0,0,0,0|0,0,2]=4 15579 B11R0.40 CCCSCCOC[C@@H](C)CC 34a_200000230433_100009816398 [0,2,0,0,0,0|1,0,1]=4 15580 B11R0.40 CCCSCCOC[C@@H](C)CC 7a_200000230433_100009816398 [0,2,0,0,0,0|1,0,1]=4 15581 B11R0.40 CCN(C)CCCCCCC#N 2230a_100000225621_100009813337 [0,2,0,0,0,0|2,0,0]=4 15582 B11R0.40 CCN(C)CCCCCCC#N 269982a_100000225621_100009813337 [0,2,0,0,0,0|2,0,0]=4 15583 B11R0.40 CCN(C)CCCCCCCO 2230a_100000225621_100000760002 [0,2,0,0,0,0|2,0,0]=4 15584 B11R0.40 CCN(C)CCCCCCCO 269982a_100000225621_100000760002 [0,2,0,0,0,0|2,0,0]=4 15585 B11R0.40 CCN(C)CCCCCCOC 2230a_100000225621_100011998445 [0,2,0,0,0,0|2,0,0]=4 15586 B11R0.40 CCN(C)CCCCCCOC 269982a_100000225621_100011998445 [0,2,0,0,0,0|2,0,0]=4 15587 B11R0.40 CCN(C)CCCNCCCF 2230a_100015189416_100015186262 [0,2,0,0,0,0|2,0,0]=4 15588 B11R0.40 CCN(C)CCCNCCOC 2230a_100000209980_100015186262 [0,2,0,0,0,0|2,0,0]=4 15589 B11R0.40 CCN(C)CCCNCCSC 2230a_100020590264_100015186262 [0,2,0,0,0,0|2,0,0]=4 15590 B11R0.40 CCN(C)CCCOCCOC 2230a_100000225621_100011216529 [0,2,0,0,0,0|2,0,0]=4 15591 B11R0.40 CCN(C)CCCOCCOC 269982a_100000225621_100011216529 [0,2,0,0,0,0|2,0,0]=4 15592 B11R0.40 CCN(C)CCCOCCSC 7a_100000230434_100015186262 [0,2,0,0,0,0|2,0,0]=4 15593 B11R0.40 CCN(C)CCCSCCCF 62a_100011934791_100015186262 [0,2,0,0,0,0|2,0,0]=4 15594 B11R0.40 CCN(C)CCCSCCCO 62a_100011215043_100015186262 [0,2,0,0,0,0|2,0,0]=4 15595 B11R0.40 CCN(C)CCCSCCOC 62a_100000233755_100015186262 [0,2,0,0,0,0|2,0,0]=4 15596 B11R0.40 CCN(C)CCCSCCSC 62a_100000212216_100015186262 [0,2,0,0,0,0|2,0,0]=4 15597 B11R0.40 CCNCCCCCC(=O)OC 2230a_100015525214_100009816466 [0,2,0,0,0,0|1,0,0]=3 15598 B11R0.40 CCNN=CCCCC(=O)OC 4a_100000756455_100000094087 [0,2,0,0,0,0|1,0,1]=4 15599 B11R0.40 CCOCCCCCC(=O)OC 34a_100000074720_100000210202 [0,2,0,0,0,0|1,0,0]=3 15600 B11R0.40 CCOCCCCCC(=O)OC 34a_100121572206_100009816466 [0,2,0,0,0,0|1,0,0]=3 15601 B11R0.40 CCOCCCCCC(=O)OC 7a_100000074720_100000210202 [0,2,0,0,0,0|1,0,0]=3 15602 B11R0.40 CCOCCCCCC(C)CC 7a_200000035636_100000210202 [0,2,0,0,0,0|1,0,1]=4 15603 B11R0.40 CCOCCCNCC(=O)NC 2230a_100000210961_100000183359 [0,2,0,0,0,0|1,0,0]=3 15604 B11R0.40 CCOCCCNCC(=O)NC 2230a_100000693194_100012232248 [0,2,0,0,0,0|1,0,0]=3 15605 B11R0.40 CCOCCCNCC(=O)NC 34a_100000210961_100000183359 [0,2,0,0,0,0|1,0,0]=3 15606 B11R0.40 CCOCCCNCC(=O)OC 2230a_100000210961_100000747449 [0,2,0,0,0,0|1,0,0]=3 15607 B11R0.40 CCOCCCNCC(=O)OC 34a_100000210961_100000747449 [0,2,0,0,0,0|1,0,0]=3 15608 B11R0.40 CCOCCCNCC(C)CC 2230a_100000210961_100000748023 [0,2,0,0,0,0|1,0,1]=4 15609 B11R0.40 CCOCCCNCC(C)CC 2230a_100020588543_100012232248 [0,2,0,0,0,0|1,0,1]=4 15610 B11R0.40 CCOCCCNCC(C)CC 270004a_100000210961_100000243153 [0,2,0,0,0,0|1,0,1]=4 15611 B11R0.40 CCOCCCNCC(C)CC 34a_100000210961_100000748023 [0,2,0,0,0,0|1,0,1]=4 15612 B11R0.40 CCOCCCNCC(O)CC 2230a_100000210961_100011218378 [0,2,0,0,0,0|0,0,2]=4 15613 B11R0.40 CCOCCCNCC(O)CC 2230a_100011218483_100012232248 [0,2,0,0,0,0|0,0,2]=4 15614 B11R0.40 CCOCCCNCC(O)CC 34a_100000210961_100011218378 [0,2,0,0,0,0|0,0,2]=4 15615 B11R0.40 CCOCCCNC[C@@H](C)CC 2230a_100000210961_100009816398 [0,2,0,0,0,0|1,0,1]=4 15616 B11R0.40 CCOCCCNC[C@@H](C)CC 34a_100000210961_100009816398 [0,2,0,0,0,0|1,0,1]=4 15617 B11R0.40 CCOCCCOCC(=O)CC 34a_100000725409_100012232248 [0,2,0,0,0,0|0,0,0]=2 15618 B11R0.40 CCOCCCOCC(=O)CC 7a_100000757476_100000747405 [0,2,0,0,0,0|0,0,0]=2 15619 B11R0.40 CCOCCCOCC(=O)NC 34a_100000750040_100012232248 [0,2,0,0,0,0|1,0,0]=3 15620 B11R0.40 CCOCCCOCC(=O)NC 34a_100000757476_100000183359 [0,2,0,0,0,0|1,0,0]=3 15621 B11R0.40 CCOCCCOCC(=O)NC 7a_100000757476_100000183359 [0,2,0,0,0,0|1,0,0]=3 15622 B11R0.40 CCOCCCOCC(=O)OC 34a_100000757476_100000747449 [0,2,0,0,0,0|1,0,0]=3 15623 B11R0.40 CCOCCCOCC(=O)OC 7a_100000757476_100000747449 [0,2,0,0,0,0|1,0,0]=3 15624 B11R0.40 CCOCCCOCC(C)CC 34a_100000757476_100000748023 [0,2,0,0,0,0|1,0,1]=4 15625 B11R0.40 CCOCCCOCC(C)CC 7a_100000757476_100000748023 [0,2,0,0,0,0|1,0,1]=4 15626 B11R0.40 CCOCCCOCC(O)CC 34a_100000757476_100011218378 [0,2,0,0,0,0|0,0,2]=4 15627 B11R0.40 CCOCCCOCC(O)CC 7a_100000757476_100011218378 [0,2,0,0,0,0|0,0,2]=4 15628 B11R0.40 CCOCCCOC[C@@H](C)CC 34a_100000757476_100009816398 [0,2,0,0,0,0|1,0,1]=4 15629 B11R0.40 CCOCCCOC[C@@H](C)CC 7a_100000757476_100009816398 [0,2,0,0,0,0|1,0,1]=4 15630 B11R0.40 CCOCCCOC[C@@H](C)CC 7a_100009816381_100012232248 [0,2,0,0,0,0|1,0,1]=4 15631 B11R0.40 CCOCCCSCC(=O)CC 62a_100000747405_100012232248 [0,2,0,0,0,0|0,0,0]=2 15632 B11R0.40 CCOCCCSCC(=O)CC 62a_100012232248_100000747405 [0,2,0,0,0,0|0,0,0]=2 15633 B11R0.40 CCOCCCSCC(=O)NC 62a_100000183359_100012232248 [0,2,0,0,0,0|1,0,0]=3 15634 B11R0.40 CCOCCCSCC(=O)NC 62a_100012232248_100000183359 [0,2,0,0,0,0|1,0,0]=3 15635 B11R0.40 CCOCCCSCC(=O)OC 62a_100000747449_100012232248 [0,2,0,0,0,0|1,0,0]=3 15636 B11R0.40 CCOCCCSCC(=O)OC 62a_100012232248_100000747449 [0,2,0,0,0,0|1,0,0]=3 15637 B11R0.40 CCOCCCSCC(C)CC 62a_100000748023_100012232248 [0,2,0,0,0,0|1,0,1]=4 15638 B11R0.40 CCOCCCSCC(C)CC 62a_100012232248_100000748023 [0,2,0,0,0,0|1,0,1]=4 15639 B11R0.40 CCOCCCSCC(O)CC 62a_100011218378_100012232248 [0,2,0,0,0,0|0,0,2]=4 15640 B11R0.40 CCOCCCSCC(O)CC 62a_100012232248_100011218378 [0,2,0,0,0,0|0,0,2]=4 15641 B11R0.40 CCOCCCSC[C@@H](C)CC 62a_100009816398_100012232248 [0,2,0,0,0,0|1,0,1]=4 15642 B11R0.40 CCOCCCSC[C@@H](C)CC 62a_100012232248_100009816398 [0,2,0,0,0,0|1,0,1]=4 15643 B11R0.40 CCOCCNCCC(=O)NC 2230a_100000738227_100011215890 [0,2,0,0,0,0|1,0,0]=3 15644 B11R0.40 CCOCCNCCC(=O)NC 2230a_102516460346_100000737683 [0,2,0,0,0,0|1,0,0]=3 15645 B11R0.40 CCOCCNCCC(=O)NC 34a_100000738227_100000210147 [0,2,0,0,0,0|1,0,0]=3 15646 B11R0.40 CCOCCNCCC(=O)NC 34a_102516460346_100012179268 [0,2,0,0,0,0|1,0,0]=3 15647 B11R0.40 CCOCCNCCC(=O)OC 2230a_102516460346_100000204255 [0,2,0,0,0,0|1,0,0]=3 15648 B11R0.40 CCOCCNCCC(=O)OC 34a_102516460346_100000742370 [0,2,0,0,0,0|1,0,0]=3 15649 B11R0.40 CCOCCNCCC(C)CC 2230a_100020591266_100011215890 [0,2,0,0,0,0|1,0,1]=4 15650 B11R0.40 CCOCCOCCC(=O)CC 1458a_100000210414_100011211534 [0,2,0,0,0,0|0,0,0]=2 15651 B11R0.40 CCOCCOCCC(=O)CO 1458a_100000210174_100011211534 [0,2,0,0,0,0|1,0,0]=3 15652 B11R0.40 CCOCCOCCC(=O)NC 34a_100000210136_100012179268 [0,2,0,0,0,0|1,0,0]=3 15653 B11R0.40 CCOCCOCCC(=O)NC 34a_100000754576_100000210147 [0,2,0,0,0,0|1,0,0]=3 15654 B11R0.40 CCOCCOCCC(=O)NC 7a_100000210136_100000737683 [0,2,0,0,0,0|1,0,0]=3 15655 B11R0.40 CCOCCOCCC(=O)OC 34a_100000210136_100000742370 [0,2,0,0,0,0|1,0,0]=3 15656 B11R0.40 CCOCCOCCC(=O)OC 7a_100000210136_100000204255 [0,2,0,0,0,0|1,0,0]=3 15657 B11R0.40 CCOCCOCCC(C)CC 7a_100011215188_100011215890 [0,2,0,0,0,0|1,0,1]=4 15658 B11R0.40 CCOCCOCCN(C)CC 2230a_100000225621_100011211534 [0,2,0,0,0,0|2,0,0]=4 15659 B11R0.40 CCOCCOCCN(C)CC 269982a_100000225621_100011211534 [0,2,0,0,0,0|2,0,0]=4 15660 B11R0.40 CCOCCSCCC(=O)NC 62a_100000210147_100000737683 [0,2,0,0,0,0|1,0,0]=3 15661 B11R0.40 CCOCCSCCC(=O)NC 62a_100000737683_100011215890 [0,2,0,0,0,0|1,0,0]=3 15662 B11R0.40 CCOCCSCCC(=O)OC 62a_100000204255_100011215890 [0,2,0,0,0,0|1,0,0]=3 15663 B11R0.40 CCOCCSCCC(=O)OC 62a_100000210147_100000204255 [0,2,0,0,0,0|1,0,0]=3 15664 B11R0.40 CCOCCSCOC(=O)OC 62a_100000210147_100000139417 [0,2,0,0,0,0|2,0,0]=4 15665 B11R0.40 CCOCSCCCC(=O)NC 62a_100000739092_100000741757 [0,2,0,0,0,0|1,0,0]=3 15666 B11R0.40 CCOCSCCCC(=O)NC 62a_100000741757_100000739092 [0,2,0,0,0,0|1,0,0]=3 15667 B11R0.40 CCOCSCCCC(=O)OC 62a_100000739092_100011218270 [0,2,0,0,0,0|1,0,0]=3 15668 B11R0.40 CCOCSCCCC(=O)OC 62a_100011218270_100000739092 [0,2,0,0,0,0|1,0,0]=3 15669 B11R0.40 CCOCSCCCN(C)CC 62a_100000739092_100015186262 [0,2,0,0,0,0|2,0,0]=4 15670 B11R0.40 CCOCSCCOC(=O)NC 62a_100000739092_200011997002 [0,2,0,0,0,0|2,0,0]=4 15671 B11R0.40 CCOCSCCOC(=O)NC 62a_200011997002_100000739092 [0,2,0,0,0,0|2,0,0]=4 15672 B11R0.40 CCSCCCCCC(=O)OC 62a_100000210202_100009816466 [0,2,0,0,0,0|1,0,0]=3 15673 B11R0.40 CCSCCCCCC(=O)OC 62a_100009816466_100000210202 [0,2,0,0,0,0|1,0,0]=3 15674 B11R0.40 CCSCCCOCC(=O)CC 7a_100011216438_100000747405 [0,2,0,0,0,0|0,0,0]=2 15675 B11R0.40 CCSCCCOCC(=O)NC 34a_100011216438_100000183359 [0,2,0,0,0,0|1,0,0]=3 15676 B11R0.40 CCSCCCOCC(=O)NC 7a_100011216438_100000183359 [0,2,0,0,0,0|1,0,0]=3 15677 B11R0.40 CCSCCCOCC(=O)OC 34a_100011216438_100000747449 [0,2,0,0,0,0|1,0,0]=3 15678 B11R0.40 CCSCCCOCC(=O)OC 7a_100011216438_100000747449 [0,2,0,0,0,0|1,0,0]=3 15679 B11R0.40 CCSCCCOCC(C)CC 34a_100011216438_100000748023 [0,2,0,0,0,0|1,0,1]=4 15680 B11R0.40 CCSCCCOCC(C)CC 7a_100011216438_100000748023 [0,2,0,0,0,0|1,0,1]=4 15681 B11R0.40 CCSCCCOCC(O)CC 34a_100011216438_100011218378 [0,2,0,0,0,0|0,0,2]=4 15682 B11R0.40 CCSCCCOCC(O)CC 7a_100011216438_100011218378 [0,2,0,0,0,0|0,0,2]=4 15683 B11R0.40 CCSCCCOC[C@@H](C)CC 34a_100011216438_100009816398 [0,2,0,0,0,0|1,0,1]=4 15684 B11R0.40 CCSCCCOC[C@@H](C)CC 7a_100011216438_100009816398 [0,2,0,0,0,0|1,0,1]=4 15685 B11R0.40 CCSCCNCCC(=O)NC 2230a_100000106463_100000737683 [0,2,0,0,0,0|1,0,0]=3 15686 B11R0.40 CCSCCNCCC(=O)NC 2230a_100000738227_100000757381 [0,2,0,0,0,0|1,0,0]=3 15687 B11R0.40 CCSCCNCCC(=O)NC 34a_100000738227_100000757381 [0,2,0,0,0,0|1,0,0]=3 15688 B11R0.40 CCSCCNCCC(=O)OC 2230a_100000106463_100000204255 [0,2,0,0,0,0|1,0,0]=3 15689 B11R0.40 CCSCCNCCC(C)CC 2230a_100020591266_100000757381 [0,2,0,0,0,0|1,0,1]=4 15690 B11R0.40 CCSCCOCCC(=O)NC 34a_100000212035_100012179268 [0,2,0,0,0,0|1,0,0]=3 15691 B11R0.40 CCSCCOCCC(=O)NC 34a_100000754576_100000757381 [0,2,0,0,0,0|1,0,0]=3 15692 B11R0.40 CCSCCOCCC(=O)NC 7a_100000212035_100000737683 [0,2,0,0,0,0|1,0,0]=3 15693 B11R0.40 CCSCCOCCC(=O)OC 34a_100000212035_100000742370 [0,2,0,0,0,0|1,0,0]=3 15694 B11R0.40 CCSCCOCCC(=O)OC 7a_100000212035_100000204255 [0,2,0,0,0,0|1,0,0]=3 15695 B11R0.40 CCSCCOCCC(C)CC 7a_100011215188_100000757381 [0,2,0,0,0,0|1,0,1]=4 15696 B11R0.40 CCSCCSCCC(=O)NC 62a_100000737683_100000757381 [0,2,0,0,0,0|1,0,0]=3 15697 B11R0.40 CCSCCSCCC(=O)NC 62a_100000757381_100000737683 [0,2,0,0,0,0|1,0,0]=3 15698 B11R0.40 CCSCCSCCC(=O)OC 62a_100000204255_100000757381 [0,2,0,0,0,0|1,0,0]=3 15699 B11R0.40 CCSCCSCCC(=O)OC 62a_100000757381_100000204255 [0,2,0,0,0,0|1,0,0]=3 15700 B11R0.40 CCSCCSCOC(=O)OC 62a_100000757381_100000139417 [0,2,0,0,0,0|2,0,0]=4 15701 B11R0.40 CC[C@H](C)CNCCCCCO 2230a_100000762737_100009816398 [0,2,0,0,0,0|1,0,1]=4 15702 B11R0.40 CC[C@H](C)CNCCCCCO 34a_100000762737_100009816398 [0,2,0,0,0,0|1,0,1]=4 15703 B11R0.40 CC[C@H](C)COCCCCCBr 34a_100000746331_100009816398 [0,2,0,0,0,0|1,0,1]=4 15704 B11R0.40 CC[C@H](C)COCCCCCBr 7a_100000746331_100009816398 [0,2,0,0,0,0|1,0,1]=4 15705 B11R0.40 CC[C@H](C)COCCCCCCl 34a_100000746330_100009816398 [0,2,0,0,0,0|1,0,1]=4 15706 B11R0.40 CC[C@H](C)COCCCCCCl 7a_100000746330_100009816398 [0,2,0,0,0,0|1,0,1]=4 15707 B11R0.40 CC[C@H](C)COCCCCCF 7a_100009816381_100000729378 [0,2,0,0,0,0|1,0,1]=4 15708 B11R0.40 CC[C@H](C)COCCCCCI 34a_200012148887_100009816398 [0,2,0,0,0,0|1,0,1]=4 15709 B11R0.40 CC[C@H](C)COCCCCCI 7a_200012148887_100009816398 [0,2,0,0,0,0|1,0,1]=4 15710 B11R0.40 CC[C@H](C)COCCCCCN 34a_100000762737_100009816398 [0,2,0,0,0,0|1,0,1]=4 15711 B11R0.40 CC[C@H](C)COCCCCCO 7a_100009816381_100000746330 [0,2,0,0,0,0|1,0,1]=4 15712 B11R0.40 CC[C@H](C)COCCCCOC 34a_100000740925_100009816398 [0,2,0,0,0,0|1,0,1]=4 15713 B11R0.40 CC[C@H](C)COCCCCOC 7a_100009816381_100000730899 [0,2,0,0,0,0|1,0,1]=4 15714 B11R0.40 CC[C@H](C)COCCCCSC 34a_100011217163_100009816398 [0,2,0,0,0,0|1,0,1]=4 15715 B11R0.40 CC[C@H](C)COCCCCSC 7a_100011217163_100009816398 [0,2,0,0,0,0|1,0,1]=4 15716 B11R0.40 CC[C@H](C)CSCCCCCF 62a_100000729378_100009816398 [0,2,0,0,0,0|1,0,1]=4 15717 B11R0.40 CC[C@H](C)CSCCCCCF 62a_100009816398_100000729378 [0,2,0,0,0,0|1,0,1]=4 15718 B11R0.40 CC[C@H](C)CSCCCCCO 62a_100000746330_100009816398 [0,2,0,0,0,0|1,0,1]=4 15719 B11R0.40 CC[C@H](C)CSCCCCCO 62a_100009816398_100000746330 [0,2,0,0,0,0|1,0,1]=4 15720 B11R0.40 CC[C@H](C)CSCCCCOC 62a_100000730899_100009816398 [0,2,0,0,0,0|1,0,1]=4 15721 B11R0.40 CC[C@H](C)CSCCCCOC 62a_100009816398_100000730899 [0,2,0,0,0,0|1,0,1]=4 15722 B11R0.40 CNC(=O)CCCCCCCO 240690a_100102657272_100011219782 [0,2,0,0,0,0|1,0,0]=3 15723 B11R0.40 CNC(=O)CCCCCN=[N+]=[N-] 11a_106832991635_100009870042 [0,2,0,0,0,0|2,0,0]=4 15724 B11R0.40 CNC(=O)CCCCCN=[N+]=[N-] 240690a_100102657272_100009870042 [0,2,0,0,0,0|2,0,0]=4 15725 B11R0.40 CNC(=O)CCCCCN=[N+]=[N-] 527a_100102657272_100009870042 [0,2,0,0,0,0|2,0,0]=4 15726 B11R0.40 CNC(=O)CCCNCCC#N 2230a_100000740002_100011215226 [0,2,0,0,0,0|1,0,1]=4 15727 B11R0.40 CNC(=O)CCCNCCCF 2230a_100000740002_100011934791 [0,2,0,0,0,0|1,0,0]=3 15728 B11R0.40 CNC(=O)CCCNCCCF 2230a_100015189416_100000741757 [0,2,0,0,0,0|1,0,0]=3 15729 B11R0.40 CNC(=O)CCCNCCCF 34a_100000740002_100011934791 [0,2,0,0,0,0|1,0,0]=3 15730 B11R0.40 CNC(=O)CCCNCCCF 34a_100015189416_100000741757 [0,2,0,0,0,0|1,0,0]=3 15731 B11R0.40 CNC(=O)CCCNCCCO 2230a_100000740002_100000230001 [0,2,0,0,0,0|1,0,0]=3 15732 B11R0.40 CNC(=O)CCCNCCCO 34a_100000740002_100000230001 [0,2,0,0,0,0|1,0,0]=3 15733 B11R0.40 CNC(=O)CCCNCCOC 2230a_100000209980_100000741757 [0,2,0,0,0,0|1,0,0]=3 15734 B11R0.40 CNC(=O)CCCNCCOC 2230a_100000740002_100011201679 [0,2,0,0,0,0|1,0,0]=3 15735 B11R0.40 CNC(=O)CCCNCCOC 34a_100000740002_100011201679 [0,2,0,0,0,0|1,0,0]=3 15736 B11R0.40 CNC(=O)CCCNCCSC 2230a_100000740002_100000751147 [0,2,0,0,0,0|1,0,0]=3 15737 B11R0.40 CNC(=O)CCCNCCSC 2230a_100020590264_100000741757 [0,2,0,0,0,0|1,0,0]=3 15738 B11R0.40 CNC(=O)CCCNCCSC 34a_100000740002_100000212216 [0,2,0,0,0,0|1,0,0]=3 15739 B11R0.40 CNC(=O)CCCOCCCBr 34a_100011217188_100000741757 [0,2,0,0,0,0|1,0,0]=3 15740 B11R0.40 CNC(=O)CCCOCCCCl 34a_100000230001_100000741757 [0,2,0,0,0,0|1,0,0]=3 15741 B11R0.40 CNC(=O)CCCOCCCF 34a_100000759539_100000741757 [0,2,0,0,0,0|1,0,0]=3 15742 B11R0.40 CNC(=O)CCCOCCCN 34a_100000182051_100000741757 [0,2,0,0,0,0|1,0,0]=3 15743 B11R0.40 CNC(=O)CCCOCCOC 34a_100000210237_100000741757 [0,2,0,0,0,0|1,0,0]=3 15744 B11R0.40 CNC(=O)CCCOCCON 34a_100000700252_100000741757 [0,2,0,0,0,0|2,0,0]=4 15745 B11R0.40 CNC(=O)CCCOCCSC 34a_100000230434_100000741757 [0,2,0,0,0,0|1,0,0]=3 15746 B11R0.40 CNC(=O)CCCOCCSC 7a_100000230434_100000741757 [0,2,0,0,0,0|1,0,0]=3 15747 B11R0.40 CNC(=O)CCCSCCC#N 62a_100000741757_100011215226 [0,2,0,0,0,0|1,0,1]=4 15748 B11R0.40 CNC(=O)CCCSCCC#N 62a_100011215226_100000741757 [0,2,0,0,0,0|1,0,1]=4 15749 B11R0.40 CNC(=O)CCCSCCCF 62a_100000741757_100011934791 [0,2,0,0,0,0|1,0,0]=3 15750 B11R0.40 CNC(=O)CCCSCCCF 62a_100011934791_100000741757 [0,2,0,0,0,0|1,0,0]=3 15751 B11R0.40 CNC(=O)CCCSCCCO 62a_100000741757_100011215043 [0,2,0,0,0,0|1,0,0]=3 15752 B11R0.40 CNC(=O)CCCSCCCO 62a_100011215043_100000741757 [0,2,0,0,0,0|1,0,0]=3 15753 B11R0.40 CNC(=O)CCCSCCOC 62a_100000233755_100000741757 [0,2,0,0,0,0|1,0,0]=3 15754 B11R0.40 CNC(=O)CCCSCCOC 62a_100000741757_100000233755 [0,2,0,0,0,0|1,0,0]=3 15755 B11R0.40 CNC(=O)CCCSCCSC 62a_100000212216_100000741757 [0,2,0,0,0,0|1,0,0]=3 15756 B11R0.40 CNC(=O)CCCSCCSC 62a_100000741757_100000751147 [0,2,0,0,0,0|1,0,0]=3 15757 B11R0.40 CNC(=O)CCNCCCC#N 2230a_100000738227_100000687738 [0,2,0,0,0,0|1,0,1]=4 15758 B11R0.40 CNC(=O)CCNCCCC=O 2230a_100000738227_200011292268 [0,2,0,0,0,0|1,0,1]=4 15759 B11R0.40 CNC(=O)CCNCCCCF 2230a_100000738227_100000729493 [0,2,0,0,0,0|1,0,0]=3 15760 B11R0.40 CNC(=O)CCNCCCCF 34a_100000738227_100000729493 [0,2,0,0,0,0|1,0,0]=3 15761 B11R0.40 CNC(=O)CCNCCCCO 2230a_100000738227_100000210776 [0,2,0,0,0,0|1,0,0]=3 15762 B11R0.40 CNC(=O)CCNCCCCO 2230a_100000750430_100000737683 [0,2,0,0,0,0|1,0,0]=3 15763 B11R0.40 CNC(=O)CCNCCCCO 34a_100000738227_100011216708 [0,2,0,0,0,0|1,0,0]=3 15764 B11R0.40 CNC(=O)CCNCCCCO 34a_100000750430_100012179268 [0,2,0,0,0,0|1,0,0]=3 15765 B11R0.40 CNC(=O)CCNCCCOC 2230a_100000738227_100000740836 [0,2,0,0,0,0|1,0,0]=3 15766 B11R0.40 CNC(=O)CCNCCCOC 34a_100000738227_100000740836 [0,2,0,0,0,0|1,0,0]=3 15767 B11R0.40 CNC(=O)CCNCCCOC 34a_100150723488_100012179268 [0,2,0,0,0,0|1,0,0]=3 15768 B11R0.40 CNC(=O)CCNCCCSC 2230a_100000749238_100000737683 [0,2,0,0,0,0|1,0,0]=3 15769 B11R0.40 CNC(=O)CCOCCCCBr 34a_100011216708_100012179268 [0,2,0,0,0,0|1,0,0]=3 15770 B11R0.40 CNC(=O)CCOCCCCCl 34a_100000210776_100012179268 [0,2,0,0,0,0|1,0,0]=3 15771 B11R0.40 CNC(=O)CCOCCCCCl 7a_100000210776_100000737683 [0,2,0,0,0,0|1,0,0]=3 15772 B11R0.40 CNC(=O)CCOCCCCF 34a_100000754576_100000729493 [0,2,0,0,0,0|1,0,0]=3 15773 B11R0.40 CNC(=O)CCOCCCCF 34a_100011995726_100012179268 [0,2,0,0,0,0|1,0,0]=3 15774 B11R0.40 CNC(=O)CCOCCCCF 7a_100011995726_100000737683 [0,2,0,0,0,0|1,0,0]=3 15775 B11R0.40 CNC(=O)CCOCCCCI 34a_200012148704_100012179268 [0,2,0,0,0,0|1,0,0]=3 15776 B11R0.40 CNC(=O)CCOCCCCN 34a_100000750430_100012179268 [0,2,0,0,0,0|1,0,0]=3 15777 B11R0.40 CNC(=O)CCOCCCCO 34a_100000754576_100011216708 [0,2,0,0,0,0|1,0,0]=3 15778 B11R0.40 CNC(=O)CCOCCCOC 34a_100000740835_100012179268 [0,2,0,0,0,0|1,0,0]=3 15779 B11R0.40 CNC(=O)CCOCCCOC 34a_100000754576_100000740836 [0,2,0,0,0,0|1,0,0]=3 15780 B11R0.40 CNC(=O)CCOCCCSC 34a_100000690336_100012179268 [0,2,0,0,0,0|1,0,0]=3 15781 B11R0.40 CNC(=O)CCOCCCSC 7a_100000690336_100000737683 [0,2,0,0,0,0|1,0,0]=3 15782 B11R0.40 CNC(=O)CCSCCCC#N 62a_100000687738_100000737683 [0,2,0,0,0,0|1,0,1]=4 15783 B11R0.40 CNC(=O)CCSCCCC#N 62a_100000737683_100000687738 [0,2,0,0,0,0|1,0,1]=4 15784 B11R0.40 CNC(=O)CCSCCCC=O 62a_100000737683_200011292268 [0,2,0,0,0,0|1,0,1]=4 15785 B11R0.40 CNC(=O)CCSCCCC=O 62a_200011292268_100000737683 [0,2,0,0,0,0|1,0,1]=4 15786 B11R0.40 CNC(=O)CCSCCCCF 62a_100000729493_100000737683 [0,2,0,0,0,0|1,0,0]=3 15787 B11R0.40 CNC(=O)CCSCCCCF 62a_100000737683_100000729493 [0,2,0,0,0,0|1,0,0]=3 15788 B11R0.40 CNC(=O)CCSCCCCO 62a_100000210776_100000737683 [0,2,0,0,0,0|1,0,0]=3 15789 B11R0.40 CNC(=O)CCSCCCCO 62a_100000737683_100000210776 [0,2,0,0,0,0|1,0,0]=3 15790 B11R0.40 CNC(=O)CCSCCCOC 62a_100000709357_100000737683 [0,2,0,0,0,0|1,0,0]=3 15791 B11R0.40 CNC(=O)CCSCCCOC 62a_100000737683_100000709357 [0,2,0,0,0,0|1,0,0]=3 15792 B11R0.40 CNC(=O)CNCCCCC#N 2230a_100000693194_100000211819 [0,2,0,0,0,0|1,0,1]=4 15793 B11R0.40 CNC(=O)CNCCCCC=O 2230a_100000693194_100000139335 [0,2,0,0,0,0|1,0,1]=4 15794 B11R0.40 CNC(=O)CNCCCCCF 2230a_100000693194_100000729378 [0,2,0,0,0,0|1,0,0]=3 15795 B11R0.40 CNC(=O)CNCCCCCO 2230a_100000693194_100000746330 [0,2,0,0,0,0|1,0,0]=3 15796 B11R0.40 CNC(=O)CNCCCCCO 2230a_100000762737_100000183359 [0,2,0,0,0,0|1,0,0]=3 15797 B11R0.40 CNC(=O)CNCCCCCO 34a_100000762737_100000183359 [0,2,0,0,0,0|1,0,0]=3 15798 B11R0.40 CNC(=O)CNCCCCOC 2230a_100000693194_100000730899 [0,2,0,0,0,0|1,0,0]=3 15799 B11R0.40 CNC(=O)CNCCOCCO 2230a_100000211614_100000183359 [0,2,0,0,0,0|2,0,0]=4 15800 B11R0.40 CNC(=O)CNCCOCCO 2230a_100000693194_100011215305 [0,2,0,0,0,0|2,0,0]=4 15801 B11R0.40 CNC(=O)CNCCOCCO 34a_100000211614_100000183359 [0,2,0,0,0,0|2,0,0]=4 15802 B11R0.40 CNC(=O)CNCCSCCO 2230a_100011219999_100000183359 [0,2,0,0,0,0|2,0,0]=4 15803 B11R0.40 CNC(=O)CNCOCCOC 2230a_100000693194_100000231047 [0,2,0,0,0,0|2,0,0]=4 15804 B11R0.40 CNC(=O)COCCCCCBr 34a_100000746331_100000183359 [0,2,0,0,0,0|1,0,0]=3 15805 B11R0.40 CNC(=O)COCCCCCBr 7a_100000746331_100000183359 [0,2,0,0,0,0|1,0,0]=3 15806 B11R0.40 CNC(=O)COCCCCCCl 34a_100000746330_100000183359 [0,2,0,0,0,0|1,0,0]=3 15807 B11R0.40 CNC(=O)COCCCCCCl 7a_100000746330_100000183359 [0,2,0,0,0,0|1,0,0]=3 15808 B11R0.40 CNC(=O)COCCCCCF 34a_100000750040_100000729378 [0,2,0,0,0,0|1,0,0]=3 15809 B11R0.40 CNC(=O)COCCCCCI 34a_200012148887_100000183359 [0,2,0,0,0,0|1,0,0]=3 15810 B11R0.40 CNC(=O)COCCCCCI 7a_200012148887_100000183359 [0,2,0,0,0,0|1,0,0]=3 15811 B11R0.40 CNC(=O)COCCCCCN 34a_100000762737_100000183359 [0,2,0,0,0,0|1,0,0]=3 15812 B11R0.40 CNC(=O)COCCCCCO 34a_100000750040_100000746330 [0,2,0,0,0,0|1,0,0]=3 15813 B11R0.40 CNC(=O)COCCCCOC 34a_100000740925_100000183359 [0,2,0,0,0,0|1,0,0]=3 15814 B11R0.40 CNC(=O)COCCCCOC 34a_100000750040_100000755781 [0,2,0,0,0,0|1,0,0]=3 15815 B11R0.40 CNC(=O)COCCCCSC 34a_100011217163_100000183359 [0,2,0,0,0,0|1,0,0]=3 15816 B11R0.40 CNC(=O)COCCCCSC 7a_100011217163_100000183359 [0,2,0,0,0,0|1,0,0]=3 15817 B11R0.40 CNC(=O)COCCOCCBr 34a_100000692535_100000183359 [0,2,0,0,0,0|2,0,0]=4 15818 B11R0.40 CNC(=O)COCCOCCBr 7a_100000692535_100000183359 [0,2,0,0,0,0|2,0,0]=4 15819 B11R0.40 CNC(=O)COCCOCCCl 34a_100011215305_100000183359 [0,2,0,0,0,0|2,0,0]=4 15820 B11R0.40 CNC(=O)COCCOCCCl 7a_100011215305_100000183359 [0,2,0,0,0,0|2,0,0]=4 15821 B11R0.40 CNC(=O)COCCOCCF 34a_200015357709_100000183359 [0,2,0,0,0,0|2,0,0]=4 15822 B11R0.40 CNC(=O)COCCOCCF 7a_200015357709_100000183359 [0,2,0,0,0,0|2,0,0]=4 15823 B11R0.40 CNC(=O)COCCOCCI 34a_100012149058_100000183359 [0,2,0,0,0,0|2,0,0]=4 15824 B11R0.40 CNC(=O)COCCOCCI 7a_100012149058_100000183359 [0,2,0,0,0,0|2,0,0]=4 15825 B11R0.40 CNC(=O)COCCOCCN 34a_100000211614_100000183359 [0,2,0,0,0,0|2,0,0]=4 15826 B11R0.40 CNC(=O)COCCOCCO 1626a_100102657272_106645077154 [0,2,0,0,0,0|2,0,0]=4 15827 B11R0.40 CNC(=O)COCCOCCO 240690a_100102657272_106645077154 [0,2,0,0,0,0|2,0,0]=4 15828 B11R0.40 CNC(=O)COCCOCCO 34a_100000750040_100000692535 [0,2,0,0,0,0|2,0,0]=4 15829 B11R0.40 CNC(=O)CSCCCCC#N 62a_100000183359_100000211819 [0,2,0,0,0,0|1,0,1]=4 15830 B11R0.40 CNC(=O)CSCCCCC#N 62a_100011219923_100000183359 [0,2,0,0,0,0|1,0,1]=4 15831 B11R0.40 CNC(=O)CSCCCCC=O 62a_100000139335_100000183359 [0,2,0,0,0,0|1,0,1]=4 15832 B11R0.40 CNC(=O)CSCCCCC=O 62a_100000183359_100000139335 [0,2,0,0,0,0|1,0,1]=4 15833 B11R0.40 CNC(=O)CSCCCCCF 62a_100000183359_100000729378 [0,2,0,0,0,0|1,0,0]=3 15834 B11R0.40 CNC(=O)CSCCCCCF 62a_100000729378_100000183359 [0,2,0,0,0,0|1,0,0]=3 15835 B11R0.40 CNC(=O)CSCCCCCO 62a_100000183359_100000746330 [0,2,0,0,0,0|1,0,0]=3 15836 B11R0.40 CNC(=O)CSCCCCCO 62a_100000746330_100000183359 [0,2,0,0,0,0|1,0,0]=3 15837 B11R0.40 CNC(=O)CSCCCCOC 62a_100000183359_100000730899 [0,2,0,0,0,0|1,0,0]=3 15838 B11R0.40 CNC(=O)CSCCCCOC 62a_100000730899_100000183359 [0,2,0,0,0,0|1,0,0]=3 15839 B11R0.40 CNC(=O)CSCCOCCO 62a_100000183359_100011215305 [0,2,0,0,0,0|2,0,0]=4 15840 B11R0.40 CNC(=O)CSCCOCCO 62a_100011215305_100000183359 [0,2,0,0,0,0|2,0,0]=4 15841 B11R0.40 CNC(=O)CSCOCCOC 62a_100000183359_100000231047 [0,2,0,0,0,0|2,0,0]=4 15842 B11R0.40 CNC(=O)CSCOCCOC 62a_100000231047_100000183359 [0,2,0,0,0,0|2,0,0]=4 15843 B11R0.40 CNC(=O)NCCCCCC#N 2708a_100000061152_106832991635 [0,2,0,0,0,0|1,0,1]=4 15844 B11R0.40 CNC(=O)NCCCCCC#N 2708a_100102657272_100000061152 [0,2,0,0,0,0|1,0,1]=4 15845 B11R0.40 CNC(=O)NCCCCCC#N 273464a_100000061152_100102657272 [0,2,0,0,0,0|1,0,1]=4 15846 B11R0.40 CNC(=O)NCCCCCC#N 273464a_100102657272_100000061152 [0,2,0,0,0,0|1,0,1]=4 15847 B11R0.40 CNC(=O)NCCCCCC#N 512a_100000061152_100102657272 [0,2,0,0,0,0|1,0,1]=4 15848 B11R0.40 CNC(=O)NCCCCCC#N 512a_106832991638_100000061152 [0,2,0,0,0,0|1,0,1]=4 15849 B11R0.40 CNC(=O)NCCCCCCO 2708a_100102657272_100000686447 [0,2,0,0,0,0|1,0,0]=3 15850 B11R0.40 CNC(=O)NCCCCCCO 273464a_100000686447_100102657272 [0,2,0,0,0,0|1,0,0]=3 15851 B11R0.40 CNC(=O)NCCCCCCO 273464a_100102657272_100000686447 [0,2,0,0,0,0|1,0,0]=3 15852 B11R0.40 CNC(=O)NCCCCCCO 512a_100000686447_100102657272 [0,2,0,0,0,0|1,0,0]=3 15853 B11R0.40 CNC(=O)NCCCCCCO 512a_106832991638_100000686447 [0,2,0,0,0,0|1,0,0]=3 15854 B11R0.40 CNC(=O)NCCCCCOC 2708a_100000747528_106832991635 [0,2,0,0,0,0|1,0,0]=3 15855 B11R0.40 CNC(=O)NCCCCCOC 2708a_100102657272_100000747528 [0,2,0,0,0,0|1,0,0]=3 15856 B11R0.40 CNC(=O)NCCCCCOC 273464a_100000747528_100102657272 [0,2,0,0,0,0|1,0,0]=3 15857 B11R0.40 CNC(=O)NCCCCCOC 273464a_100102657272_100000747528 [0,2,0,0,0,0|1,0,0]=3 15858 B11R0.40 CNC(=O)NCCCCCOC 512a_100000747528_100102657272 [0,2,0,0,0,0|1,0,0]=3 15859 B11R0.40 CNC(=O)NCCCCCOC 512a_106832991638_100000747528 [0,2,0,0,0,0|1,0,0]=3 15860 B11R0.40 CNC(=O)NCCNCCCF 34a_100015205895_100011934791 [0,2,0,0,0,0|2,0,0]=4 15861 B11R0.40 CNC(=O)NCCNCCCO 34a_100015205895_100000230001 [0,2,0,0,0,0|2,0,0]=4 15862 B11R0.40 CNC(=O)NCCNCCOC 34a_100015205895_100011201679 [0,2,0,0,0,0|2,0,0]=4 15863 B11R0.40 CNC(=O)NCCNCCSC 34a_100015205895_100000212216 [0,2,0,0,0,0|2,0,0]=4 15864 B11R0.40 CNC(=O)NCCOCCOC 2708a_100000745349_106832991635 [0,2,0,0,0,0|2,0,0]=4 15865 B11R0.40 CNC(=O)NCCOCCOC 2708a_100102657272_100000745349 [0,2,0,0,0,0|2,0,0]=4 15866 B11R0.40 CNC(=O)NCCOCCOC 273464a_100000745349_100102657272 [0,2,0,0,0,0|2,0,0]=4 15867 B11R0.40 CNC(=O)NCCOCCOC 273464a_100102657272_100000745349 [0,2,0,0,0,0|2,0,0]=4 15868 B11R0.40 CNC(=O)NCCOCCOC 512a_100000745349_100102657272 [0,2,0,0,0,0|2,0,0]=4 15869 B11R0.40 CNC(=O)OCCNCCCF 34a_100015189416_200011997002 [0,2,0,0,0,0|2,0,0]=4 15870 B11R0.40 CNC(=O)OCCOCCCBr 34a_100011217188_200011997002 [0,2,0,0,0,0|2,0,0]=4 15871 B11R0.40 CNC(=O)OCCOCCCCl 34a_100000230001_200011997002 [0,2,0,0,0,0|2,0,0]=4 15872 B11R0.40 CNC(=O)OCCOCCCF 34a_100000759539_200011997002 [0,2,0,0,0,0|2,0,0]=4 15873 B11R0.40 CNC(=O)OCCOCCCN 34a_100000182051_200011997002 [0,2,0,0,0,0|2,0,0]=4 15874 B11R0.40 CNC(=O)OCCOCCOC 34a_100000210237_200011997002 [0,2,0,0,0,0|2,0,0]=4 15875 B11R0.40 CNC(=O)OCCOCCSC 34a_100000230434_200011997002 [0,2,0,0,0,0|2,0,0]=4 15876 B11R0.40 CNC(=O)OCCOCCSC 7a_100000230434_200011997002 [0,2,0,0,0,0|2,0,0]=4 15877 B11R0.40 CNC(=O)OCCSCCCF 62a_100011934791_200011997002 [0,2,0,0,0,0|2,0,0]=4 15878 B11R0.40 CNC(=O)OCCSCCCF 62a_200011997002_100011934791 [0,2,0,0,0,0|2,0,0]=4 15879 B11R0.40 CNC(=O)OCCSCCCO 62a_100011215043_200011997002 [0,2,0,0,0,0|2,0,0]=4 15880 B11R0.40 CNC(=O)OCCSCCCO 62a_200011997002_100011215043 [0,2,0,0,0,0|2,0,0]=4 15881 B11R0.40 CNC(=O)OCCSCCOC 62a_100000233755_200011997002 [0,2,0,0,0,0|2,0,0]=4 15882 B11R0.40 CNC(=O)OCCSCCOC 62a_200011997002_100000233755 [0,2,0,0,0,0|2,0,0]=4 15883 B11R0.40 CNC(=O)OCCSCCSC 62a_100000212216_200011997002 [0,2,0,0,0,0|2,0,0]=4 15884 B11R0.40 CNC(=O)OCCSCCSC 62a_200011997002_100000751147 [0,2,0,0,0,0|2,0,0]=4 15885 B11R0.40 CNCCCCCCC(=O)OC 2230a_106832991635_100009815986 [0,2,0,0,0,0|1,0,0]=3 15886 B11R0.40 CNCCCCCCC(=O)OC 34a_100102657272_100009815986 [0,2,0,0,0,0|1,0,0]=3 15887 B11R0.40 CNCCCCCCC(=O)OC 7a_106832991635_100009815986 [0,2,0,0,0,0|1,0,0]=3 15888 B11R0.40 CNCCCOCCC(=O)NC 34a_100000213112_100012179268 [0,2,0,0,0,0|1,0,0]=3 15889 B11R0.40 CNCCCOCCC(=O)OC 34a_100000213112_100000742370 [0,2,0,0,0,0|1,0,0]=3 15890 B11R0.40 COC(=O)CCCCCCO[13CH3] 34a_100009863599_200025704644 [0,2,0,0,0,0|1,0,0]=3 15891 B11R0.40 COC(=O)CCCCCCO[13CH3] 7a_100009863599_200025704644 [0,2,0,0,0,0|1,0,0]=3 15892 B11R0.40 COC(=O)CCCCCCSC 62a_100009815986_200000210301 [0,2,0,0,0,0|1,0,0]=3 15893 B11R0.40 COC(=O)CCCCCCSC 62a_200000210301_100009815986 [0,2,0,0,0,0|1,0,0]=3 15894 B11R0.40 COC(=O)CCCCCCS[13CH3] 62a_100009815986_200025704644 [0,2,0,0,0,0|1,0,0]=3 15895 B11R0.40 COC(=O)CCCCCCS[13CH3] 62a_200025704644_100009815986 [0,2,0,0,0,0|1,0,0]=3 15896 B11R0.40 COC(=O)CCCCCOCF 34a_100000074720_100015361967 [0,2,0,0,0,0|1,0,0]=3 15897 B11R0.40 COC(=O)CCCCCOCF 7a_100000074720_100015361967 [0,2,0,0,0,0|1,0,0]=3 15898 B11R0.40 COC(=O)CCCCCSCF 62a_100009816466_100015361967 [0,2,0,0,0,0|1,0,0]=3 15899 B11R0.40 COC(=O)CCCCCSCF 62a_100015361967_100009816466 [0,2,0,0,0,0|1,0,0]=3 15900 B11R0.40 COC(=O)CCCCNCCF 34a_100000724931_100000204269 [0,2,0,0,0,0|1,0,0]=3 15901 B11R0.40 COC(=O)CCCCNCCO 2230a_100016997473_100000204269 [0,2,0,0,0,0|1,0,0]=3 15902 B11R0.40 COC(=O)CCCCNCCO 34a_100016990907_100000204269 [0,2,0,0,0,0|1,0,0]=3 15903 B11R0.40 COC(=O)CCCCOCC#N 7a_100000059025_100011215382 [0,2,0,0,0,0|1,0,1]=4 15904 B11R0.40 COC(=O)CCCCOCC=O 34a_100000059025_200009817547 [0,2,0,0,0,0|1,0,1]=4 15905 B11R0.40 COC(=O)CCCCOCC=O 7a_100000059025_200015260668 [0,2,0,0,0,0|1,0,1]=4 15906 B11R0.40 COC(=O)CCCCOCCBr 34a_100000211926_100000204269 [0,2,0,0,0,0|1,0,0]=3 15907 B11R0.40 COC(=O)CCCCOCCF 34a_100000059025_100011217306 [0,2,0,0,0,0|1,0,0]=3 15908 B11R0.40 COC(=O)CCCCOCCF 7a_100000059025_100011217306 [0,2,0,0,0,0|1,0,0]=3 15909 B11R0.40 COC(=O)CCCCOCCN 34a_100000210304_100000204269 [0,2,0,0,0,0|1,0,0]=3 15910 B11R0.40 COC(=O)CCCCOCCO 34a_100000059025_100000211926 [0,2,0,0,0,0|1,0,0]=3 15911 B11R0.40 COC(=O)CCCCOCCO 7a_100000059025_100000211926 [0,2,0,0,0,0|1,0,0]=3 15912 B11R0.40 COC(=O)CCCCOCSC 34a_100000059025_100011218213 [0,2,0,0,0,0|1,0,0]=3 15913 B11R0.40 COC(=O)CCCCSCC#N 62a_100000204269_100011215382 [0,2,0,0,0,0|1,0,1]=4 15914 B11R0.40 COC(=O)CCCCSCC#N 62a_100011215382_100000204269 [0,2,0,0,0,0|1,0,1]=4 15915 B11R0.40 COC(=O)CCCCSCC=O 62a_100000204269_200015260668 [0,2,0,0,0,0|1,0,1]=4 15916 B11R0.40 COC(=O)CCCCSCC=O 62a_200015260668_100000204269 [0,2,0,0,0,0|1,0,1]=4 15917 B11R0.40 COC(=O)CCCCSCCF 62a_100000204269_100011217306 [0,2,0,0,0,0|1,0,0]=3 15918 B11R0.40 COC(=O)CCCCSCCF 62a_100011217306_100000204269 [0,2,0,0,0,0|1,0,0]=3 15919 B11R0.40 COC(=O)CCCCSCCO 62a_100000204269_100000211926 [0,2,0,0,0,0|1,0,0]=3 15920 B11R0.40 COC(=O)CCCCSCCO 62a_100000211926_100000204269 [0,2,0,0,0,0|1,0,0]=3 15921 B11R0.40 COC(=O)CCCCSCSC 62a_100000204269_100011218213 [0,2,0,0,0,0|1,0,0]=3 15922 B11R0.40 COC(=O)CCCCSCSC 62a_100011218213_100000204269 [0,2,0,0,0,0|1,0,0]=3 15923 B11R0.40 COC(=O)CCCNCCCF 2230a_100015189416_100011218270 [0,2,0,0,0,0|1,0,0]=3 15924 B11R0.40 COC(=O)CCCNCCCF 34a_100015189416_100000742333 [0,2,0,0,0,0|1,0,0]=3 15925 B11R0.40 COC(=O)CCCNCCSC 2230a_100020590264_100011218270 [0,2,0,0,0,0|1,0,0]=3 15926 B11R0.40 COC(=O)CCCOCCCBr 34a_100011217188_100000742333 [0,2,0,0,0,0|1,0,0]=3 15927 B11R0.40 COC(=O)CCCOCCCCl 34a_100000230001_100000742333 [0,2,0,0,0,0|1,0,0]=3 15928 B11R0.40 COC(=O)CCCOCCCF 34a_100000759539_100000742333 [0,2,0,0,0,0|1,0,0]=3 15929 B11R0.40 COC(=O)CCCOCCCN 34a_100000182051_100000742333 [0,2,0,0,0,0|1,0,0]=3 15930 B11R0.40 COC(=O)CCCOCCON 34a_100000700252_100000742333 [0,2,0,0,0,0|2,0,0]=4 15931 B11R0.40 COC(=O)CCCOCCSC 34a_100000230434_100000742333 [0,2,0,0,0,0|1,0,0]=3 15932 B11R0.40 COC(=O)CCCOCCSC 7a_100000230434_100011218270 [0,2,0,0,0,0|1,0,0]=3 15933 B11R0.40 COC(=O)CCCSCCC#N 62a_100011215226_100011218270 [0,2,0,0,0,0|1,0,1]=4 15934 B11R0.40 COC(=O)CCCSCCC#N 62a_100011218270_100011215226 [0,2,0,0,0,0|1,0,1]=4 15935 B11R0.40 COC(=O)CCCSCCCF 62a_100011218270_100011934791 [0,2,0,0,0,0|1,0,0]=3 15936 B11R0.40 COC(=O)CCCSCCCF 62a_100011934791_100011218270 [0,2,0,0,0,0|1,0,0]=3 15937 B11R0.40 COC(=O)CCCSCCCO 62a_100011215043_100011218270 [0,2,0,0,0,0|1,0,0]=3 15938 B11R0.40 COC(=O)CCCSCCCO 62a_100011218270_100011215043 [0,2,0,0,0,0|1,0,0]=3 15939 B11R0.40 COC(=O)CCCSCCSC 62a_100000212216_100011218270 [0,2,0,0,0,0|1,0,0]=3 15940 B11R0.40 COC(=O)CCCSCCSC 62a_100011218270_100000751147 [0,2,0,0,0,0|1,0,0]=3 15941 B11R0.40 COC(=O)CCNCCCCO 2230a_100000750430_100000204255 [0,2,0,0,0,0|1,0,0]=3 15942 B11R0.40 COC(=O)CCNCCCCO 34a_100000750430_100000742370 [0,2,0,0,0,0|1,0,0]=3 15943 B11R0.40 COC(=O)CCNCCCSC 2230a_100000749238_100000204255 [0,2,0,0,0,0|1,0,0]=3 15944 B11R0.40 COC(=O)CCOCCCCBr 34a_100011216708_100000742370 [0,2,0,0,0,0|1,0,0]=3 15945 B11R0.40 COC(=O)CCOCCCCCl 34a_100000210776_100000742370 [0,2,0,0,0,0|1,0,0]=3 15946 B11R0.40 COC(=O)CCOCCCCCl 7a_100000210776_100000204255 [0,2,0,0,0,0|1,0,0]=3 15947 B11R0.40 COC(=O)CCOCCCCF 34a_100011995726_100000742370 [0,2,0,0,0,0|1,0,0]=3 15948 B11R0.40 COC(=O)CCOCCCCF 7a_100011995726_100000204255 [0,2,0,0,0,0|1,0,0]=3 15949 B11R0.40 COC(=O)CCOCCCCI 34a_200012148704_100000742370 [0,2,0,0,0,0|1,0,0]=3 15950 B11R0.40 COC(=O)CCOCCCCN 34a_100000750430_100000742370 [0,2,0,0,0,0|1,0,0]=3 15951 B11R0.40 COC(=O)CCOCCCSC 34a_100000690336_100000742370 [0,2,0,0,0,0|1,0,0]=3 15952 B11R0.40 COC(=O)CCOCCCSC 7a_100000690336_100000204255 [0,2,0,0,0,0|1,0,0]=3 15953 B11R0.40 COC(=O)CCSCCCC#N 62a_100000204255_100000687738 [0,2,0,0,0,0|1,0,1]=4 15954 B11R0.40 COC(=O)CCSCCCC#N 62a_100000687738_100000204255 [0,2,0,0,0,0|1,0,1]=4 15955 B11R0.40 COC(=O)CCSCCCC=O 62a_100000204255_200011292268 [0,2,0,0,0,0|1,0,1]=4 15956 B11R0.40 COC(=O)CCSCCCC=O 62a_200011292268_100000204255 [0,2,0,0,0,0|1,0,1]=4 15957 B11R0.40 COC(=O)CCSCCCCF 62a_100000204255_100000729493 [0,2,0,0,0,0|1,0,0]=3 15958 B11R0.40 COC(=O)CCSCCCCF 62a_100000729493_100000204255 [0,2,0,0,0,0|1,0,0]=3 15959 B11R0.40 COC(=O)CCSCCCCO 62a_100000204255_100000210776 [0,2,0,0,0,0|1,0,0]=3 15960 B11R0.40 COC(=O)CCSCCCCO 62a_100000210776_100000204255 [0,2,0,0,0,0|1,0,0]=3 15961 B11R0.40 COC(=O)CNCCCCCO 2230a_100000762737_100000747449 [0,2,0,0,0,0|1,0,0]=3 15962 B11R0.40 COC(=O)CNCCCCCO 34a_100000762737_100000747449 [0,2,0,0,0,0|1,0,0]=3 15963 B11R0.40 COC(=O)CNCCOCCO 2230a_100000211614_100000747449 [0,2,0,0,0,0|2,0,0]=4 15964 B11R0.40 COC(=O)CNCCOCCO 34a_100000211614_100000747449 [0,2,0,0,0,0|2,0,0]=4 15965 B11R0.40 COC(=O)CNCCSCCO 2230a_100011219999_100000747449 [0,2,0,0,0,0|2,0,0]=4 15966 B11R0.40 COC(=O)COCCCCCBr 34a_100000746331_100000747449 [0,2,0,0,0,0|1,0,0]=3 15967 B11R0.40 COC(=O)COCCCCCBr 7a_100000746331_100000747449 [0,2,0,0,0,0|1,0,0]=3 15968 B11R0.40 COC(=O)COCCCCCCl 34a_100000746330_100000747449 [0,2,0,0,0,0|1,0,0]=3 15969 B11R0.40 COC(=O)COCCCCCCl 7a_100000746330_100000747449 [0,2,0,0,0,0|1,0,0]=3 15970 B11R0.40 COC(=O)COCCCCCI 34a_200012148887_100000747449 [0,2,0,0,0,0|1,0,0]=3 15971 B11R0.40 COC(=O)COCCCCCI 7a_200012148887_100000747449 [0,2,0,0,0,0|1,0,0]=3 15972 B11R0.40 COC(=O)COCCCCCN 34a_100000762737_100000747449 [0,2,0,0,0,0|1,0,0]=3 15973 B11R0.40 COC(=O)COCCCCSC 34a_100011217163_100000747449 [0,2,0,0,0,0|1,0,0]=3 15974 B11R0.40 COC(=O)COCCCCSC 7a_100011217163_100000747449 [0,2,0,0,0,0|1,0,0]=3 15975 B11R0.40 COC(=O)COCCNCCF 34a_100000724931_100000090808 [0,2,0,0,0,0|2,0,0]=4 15976 B11R0.40 COC(=O)COCCNCCO 2230a_100016997473_100000090808 [0,2,0,0,0,0|2,0,0]=4 15977 B11R0.40 COC(=O)COCCNCCO 34a_100016990907_100000090808 [0,2,0,0,0,0|2,0,0]=4 15978 B11R0.40 COC(=O)COCCOCCBr 34a_100000211926_100000090808 [0,2,0,0,0,0|2,0,0]=4 15979 B11R0.40 COC(=O)COCCOCCBr 34a_100000692535_100000747449 [0,2,0,0,0,0|2,0,0]=4 15980 B11R0.40 COC(=O)COCCOCCBr 7a_100000692535_100000747449 [0,2,0,0,0,0|2,0,0]=4 15981 B11R0.40 COC(=O)COCCOCCCl 34a_100011215305_100000747449 [0,2,0,0,0,0|2,0,0]=4 15982 B11R0.40 COC(=O)COCCOCCCl 7a_100011215305_100000747449 [0,2,0,0,0,0|2,0,0]=4 15983 B11R0.40 COC(=O)COCCOCCF 34a_200015357709_100000747449 [0,2,0,0,0,0|2,0,0]=4 15984 B11R0.40 COC(=O)COCCOCCF 7a_200015357709_100000747449 [0,2,0,0,0,0|2,0,0]=4 15985 B11R0.40 COC(=O)COCCOCCI 34a_100012149058_100000747449 [0,2,0,0,0,0|2,0,0]=4 15986 B11R0.40 COC(=O)COCCOCCI 7a_100012149058_100000747449 [0,2,0,0,0,0|2,0,0]=4 15987 B11R0.40 COC(=O)COCCOCCN 34a_100000210304_100000090808 [0,2,0,0,0,0|2,0,0]=4 15988 B11R0.40 COC(=O)COCCOCCN 34a_100000211614_100000747449 [0,2,0,0,0,0|2,0,0]=4 15989 B11R0.40 COC(=O)COCCSCCF 62a_100000090808_100011217306 [0,2,0,0,0,0|2,0,0]=4 15990 B11R0.40 COC(=O)COCCSCCF 62a_100011217306_100000090808 [0,2,0,0,0,0|2,0,0]=4 15991 B11R0.40 COC(=O)COCCSCCO 62a_100000090808_100000211926 [0,2,0,0,0,0|2,0,0]=4 15992 B11R0.40 COC(=O)COCCSCCO 62a_100000211926_100000090808 [0,2,0,0,0,0|2,0,0]=4 15993 B11R0.40 COC(=O)COCCSCSC 62a_100000090808_100011218213 [0,2,0,0,0,0|2,0,0]=4 15994 B11R0.40 COC(=O)COCCSCSC 62a_100011218213_100000090808 [0,2,0,0,0,0|2,0,0]=4 15995 B11R0.40 COC(=O)CSCCCCC#N 62a_100000747449_100000211819 [0,2,0,0,0,0|1,0,1]=4 15996 B11R0.40 COC(=O)CSCCCCC#N 62a_100011219923_100000747449 [0,2,0,0,0,0|1,0,1]=4 15997 B11R0.40 COC(=O)CSCCCCC=O 62a_100000139335_100000747449 [0,2,0,0,0,0|1,0,1]=4 15998 B11R0.40 COC(=O)CSCCCCC=O 62a_100000747449_100000139335 [0,2,0,0,0,0|1,0,1]=4 15999 B11R0.40 COC(=O)CSCCCCCF 62a_100000729378_100000747449 [0,2,0,0,0,0|1,0,0]=3 16000 B11R0.40 COC(=O)CSCCCCCF 62a_100000747449_100000729378 [0,2,0,0,0,0|1,0,0]=3 16001 B11R0.40 COC(=O)CSCCCCCO 62a_100000746330_100000747449 [0,2,0,0,0,0|1,0,0]=3 16002 B11R0.40 COC(=O)CSCCCCCO 62a_100000747449_100000746330 [0,2,0,0,0,0|1,0,0]=3 16003 B11R0.40 COC(=O)CSCCOCCO 62a_100000747449_100011215305 [0,2,0,0,0,0|2,0,0]=4 16004 B11R0.40 COC(=O)CSCCOCCO 62a_100011215305_100000747449 [0,2,0,0,0,0|2,0,0]=4 16005 B11R0.40 COC(=O)NCCOCCCF 34a_100000757965_100011934791 [0,2,0,0,0,0|2,0,0]=4 16006 B11R0.40 COC(=O)NCCOCCCO 34a_100000757965_100000230001 [0,2,0,0,0,0|2,0,0]=4 16007 B11R0.40 COC(=O)NCCOCCSC 34a_100000757965_100000212216 [0,2,0,0,0,0|2,0,0]=4 16008 B11R0.40 COC(=O)OCCOCCCF 34a_100010262106_100011934791 [0,2,0,0,0,0|2,0,0]=4 16009 B11R0.40 COC(=O)OCCOCCCO 34a_100010262106_100000230001 [0,2,0,0,0,0|2,0,0]=4 16010 B11R0.40 COC(=O)OCCOCCSC 34a_100010262106_100000212216 [0,2,0,0,0,0|2,0,0]=4 16011 B11R0.40 COC(=O)OCSCCCCF 62a_100000729493_100000139417 [0,2,0,0,0,0|2,0,0]=4 16012 B11R0.40 COC(=O)OCSCCCCO 62a_100000210776_100000139417 [0,2,0,0,0,0|2,0,0]=4 16013 B11R0.40 COCCCCCCC(=O)CO 1458a_100000210174_100011998445 [0,2,0,0,0,0|1,0,0]=3 16014 B11R0.40 COCCCCCCC(=O)OC 34a_100009863599_200000210301 [0,2,0,0,0,0|1,0,0]=3 16015 B11R0.40 COCCCCCCC(=O)OC 34a_100138415774_100009815986 [0,2,0,0,0,0|1,0,0]=3 16016 B11R0.40 COCCCCCCC(=O)OC 7a_100009863599_200000210301 [0,2,0,0,0,0|1,0,0]=3 16017 B11R0.40 COCCCCCNC(=O)CO 240690a_100000747528_100000210174 [0,2,0,0,0,0|1,0,0]=3 16018 B11R0.40 COCCCCCNC(=O)CO 527a_100000747528_100000210174 [0,2,0,0,0,0|1,0,0]=3 16019 B11R0.40 COCCCCOCC(=O)OC 34a_100000740925_100000747449 [0,2,0,0,0,0|1,0,0]=3 16020 B11R0.40 COCCCCSCC(=O)OC 62a_100000730899_100000747449 [0,2,0,0,0,0|1,0,0]=3 16021 B11R0.40 COCCCCSCC(=O)OC 62a_100000747449_100000730899 [0,2,0,0,0,0|1,0,0]=3 16022 B11R0.40 COCCCNCCC(=O)OC 34a_100150723488_100000742370 [0,2,0,0,0,0|1,0,0]=3 16023 B11R0.40 COCCCOCCC(=O)OC 34a_100000740835_100000742370 [0,2,0,0,0,0|1,0,0]=3 16024 B11R0.40 COCCCSCCC(=O)OC 62a_100000204255_100000709357 [0,2,0,0,0,0|1,0,0]=3 16025 B11R0.40 COCCCSCCC(=O)OC 62a_100000709357_100000204255 [0,2,0,0,0,0|1,0,0]=3 16026 B11R0.40 COCCCSCOC(=O)OC 62a_100000709357_100000139417 [0,2,0,0,0,0|2,0,0]=4 16027 B11R0.40 COCCNCCCC(=O)OC 2230a_100000209980_100011218270 [0,2,0,0,0,0|1,0,0]=3 16028 B11R0.40 COCCOCCCC(=O)CO 1458a_100000210174_100011216529 [0,2,0,0,0,0|1,0,0]=3 16029 B11R0.40 COCCOCCCC(=O)NN 34a_100000211488_100011201679 [0,2,0,0,0,0|2,0,0]=4 16030 B11R0.40 COCCOCCCC(=O)OC 34a_100000210237_100000742333 [0,2,0,0,0,0|1,0,0]=3 16031 B11R0.40 COCCOCCNC(=O)CO 240690a_100000745349_100000210174 [0,2,0,0,0,0|2,0,0]=4 16032 B11R0.40 COCCOCCNC(=O)CO 527a_100000745349_100000210174 [0,2,0,0,0,0|2,0,0]=4 16033 B11R0.40 COCCOCCNC(=O)OC 34a_100000757965_100011201679 [0,2,0,0,0,0|2,0,0]=4 16034 B11R0.40 COCCOCCOC(=O)OC 34a_100010262106_100011201679 [0,2,0,0,0,0|2,0,0]=4 16035 B11R0.40 COCCOCSCC(=O)OC 62a_100000231047_100000747449 [0,2,0,0,0,0|2,0,0]=4 16036 B11R0.40 COCCOCSCC(=O)OC 62a_100000747449_100000231047 [0,2,0,0,0,0|2,0,0]=4 16037 B11R0.40 COCCSCCCC(=O)OC 62a_100000233755_100011218270 [0,2,0,0,0,0|1,0,0]=3 16038 B11R0.40 COCCSCCCC(=O)OC 62a_100011218270_100000233755 [0,2,0,0,0,0|1,0,0]=3 16039 B11R0.40 COCSCCCCC(=O)OC 62a_100000204269_100000766300 [0,2,0,0,0,0|1,0,0]=3 16040 B11R0.40 COCSCCCCC(=O)OC 62a_100000766300_100000204269 [0,2,0,0,0,0|1,0,0]=3 16041 B11R0.40 COCSCCOCC(=O)OC 62a_100000090808_100000766300 [0,2,0,0,0,0|2,0,0]=4 16042 B11R0.40 COCSCCOCC(=O)OC 62a_100000766300_100000090808 [0,2,0,0,0,0|2,0,0]=4 16043 B11R0.40 CSCCOCCCC(=O)NN 34a_100000211488_100000212216 [0,2,0,0,0,0|2,0,0]=4 16044 B11R0.40 N#CCCCCCCC(=O)CO 1458a_100000210174_100009813337 [0,2,0,0,0,0|1,0,0]=3 16045 B11R0.40 N#CCCCCCNC(=O)CO 240690a_100000061152_100000210174 [0,2,0,0,0,0|1,0,1]=4 16046 B11R0.40 N#CCCCCCNC(=O)CO 527a_100000061152_100000210174 [0,2,0,0,0,0|1,0,1]=4 16047 B11R0.40 NNC(=O)CCCOCCCF 34a_100000211488_100011934791 [0,2,0,0,0,0|2,0,0]=4 16048 B11R0.40 NNC(=O)CCCOCCCO 34a_100000211488_100000230001 [0,2,0,0,0,0|2,0,0]=4 16049 B11R0.40 O=C(CF)CCCCCCCO 1458a_100011219782_100015361967 [0,2,0,0,0,0|1,0,0]=3 16050 B11R0.40 O=C(CF)COCCOCCO 1458a_106645077154_100015361967 [0,2,0,0,0,0|2,0,0]=4 16051 B11R0.40 O=C(CO)CCCCCCCO 1458a_100000210174_100000760002 [0,2,0,0,0,0|1,0,0]=3 16052 B11R0.40 O=C(CO)NCCCCCCO 240690a_100000686447_100000210174 [0,2,0,0,0,0|1,0,0]=3 16053 B11R0.40 O=C(CO)NCCCCCCO 527a_100000686447_100000210174 [0,2,0,0,0,0|1,0,0]=3 16054 B11R0.40 [N-]=[N+]=NCCCCCC(=O)CF 1458a_100009870042_100015361967 [0,2,0,0,0,0|2,0,0]=4 16055 B11R0.42 C#CCCCCCC(=O)C(=C)C 1458a_100000185857_100012094781 [0,2,0,0,0,0|0,0,2]=4 16056 B11R0.42 C#CCCCCCC(=O)C(C)C 1458a_100000210198_100012094781 [0,2,0,0,0,0|0,0,1]=3 16057 B11R0.42 C#CCCCCCC(=O)C(C)C 1458a_100000694772_100000210206 [0,2,0,0,0,0|0,0,1]=3 16058 B11R0.42 C#CCCCCCC(=O)C(C)F 1458a_100000062450_100012094781 [0,2,0,0,0,0|0,0,1]=3 16059 B11R0.42 C#CCCCCCC(=O)C(O)O 1458a_100000233687_100012094781 [0,2,0,0,0,0|1,0,1]=4 16060 B11R0.42 C#CCCCCCC(=O)N(C)C 11a_100102631434_100000694772 [0,2,0,0,0,0|1,0,1]=4 16061 B11R0.42 C#CCCCCCC(=O)N(C)C 1626a_100102631434_100000694772 [0,2,0,0,0,0|1,0,1]=4 16062 B11R0.42 C#CCCCCCC(=O)N(C)C 240690a_100102631434_100000694772 [0,2,0,0,0,0|1,0,1]=4 16063 B11R0.42 C#CCCCCCC(=O)N(C)C 527a_100102631434_100000694772 [0,2,0,0,0,0|1,0,1]=4 16064 B11R0.42 C#CCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100012094781 [0,2,0,0,0,0|0,0,1]=3 16065 B11R0.42 C#CCCCCCC(=O)[C@H](C)O 1458a_217856618621_100012094781 [0,2,0,0,0,0|0,0,1]=3 16066 B11R0.42 C#CCCCCNC(=O)C(C)C 11a_100000706060_100000210198 [0,2,0,0,0,0|0,0,2]=4 16067 B11R0.42 C#CCCCCNC(=O)C(C)C 1626a_100000706060_100000210198 [0,2,0,0,0,0|0,0,2]=4 16068 B11R0.42 C#CCCCCNC(=O)C(C)C 240690a_100000706060_100000210198 [0,2,0,0,0,0|0,0,2]=4 16069 B11R0.42 C#CCCCCNC(=O)C(C)C 527a_100000706060_100000210198 [0,2,0,0,0,0|0,0,2]=4 16070 B11R0.42 C#CCCCCNC(=O)C(C)F 11a_100000706060_100000062450 [0,2,0,0,0,0|0,0,2]=4 16071 B11R0.42 C#CCCCCNC(=O)C(C)F 1626a_100000706060_100000062450 [0,2,0,0,0,0|0,0,2]=4 16072 B11R0.42 C#CCCCCNC(=O)C(C)F 240690a_100000706060_100000062450 [0,2,0,0,0,0|0,0,2]=4 16073 B11R0.42 C#CCCCCNC(=O)C(C)F 527a_100000706060_100000062450 [0,2,0,0,0,0|0,0,2]=4 16074 B11R0.42 C#CCCCCNC(=O)[C@@H](C)O 240690a_100000706060_100000717761 [0,2,0,0,0,0|0,0,2]=4 16075 B11R0.42 C#CCCCCNC(=O)[C@H](C)O 1626a_100000706060_217856618621 [0,2,0,0,0,0|0,0,2]=4 16076 B11R0.42 C#CCCCCNC(=O)[C@H](C)O 240690a_100000706060_217856618621 [0,2,0,0,0,0|0,0,2]=4 16077 B11R0.42 C#CCCCNCC(=O)C(C)C 34a_100000718082_100000753385 [0,2,0,0,0,0|0,0,2]=4 16078 B11R0.42 C#CCCCOCC(=O)C(C)C 34a_100000215630_100000753385 [0,2,0,0,0,0|0,0,2]=4 16079 B11R0.42 C#CCCCOCC(=O)C(C)C 7a_100000215630_100000753385 [0,2,0,0,0,0|0,0,2]=4 16080 B11R0.42 C#CCCCSCC(=O)C(C)C 62a_100000753385_100011215417 [0,2,0,0,0,0|0,0,2]=4 16081 B11R0.42 C#CCCCSCC(=O)C(C)C 62a_100011215417_100000753385 [0,2,0,0,0,0|0,0,2]=4 16082 B11R0.42 C/C=C/CCOCC(=O)C(C)C 34a_100016278192_100000753385 [0,2,0,0,0,0|0,0,2]=4 16083 B11R0.42 C=C(Br)C(=O)NCCCCCC 11a_100000210581_100009813364 [0,2,0,0,0,0|0,0,2]=4 16084 B11R0.42 C=C(Br)C(=O)NCCCCCC 1626a_100000210581_100009813364 [0,2,0,0,0,0|0,0,2]=4 16085 B11R0.42 C=C(C)C(=O)CCCCCC#N 1458a_100000185857_100009813376 [0,2,0,0,0,0|0,0,2]=4 16086 B11R0.42 C=C(C)C(=O)CCCCCCC 1458a_100000185857_100000210614 [0,2,0,0,0,0|0,0,1]=3 16087 B11R0.42 C=C(C)C(=O)CCCCCCF 1458a_100000185857_100015922095 [0,2,0,0,0,0|0,0,1]=3 16088 B11R0.42 C=C(C)C(=O)CCCCCCO 1458a_100000185857_100000766143 [0,2,0,0,0,0|0,0,1]=3 16089 B11R0.42 C=C(C)C(=O)CCOCCCC 1458a_100000185857_100000743108 [0,2,0,0,0,0|0,0,1]=3 16090 B11R0.42 C=C(C)C(=O)CCOCCOC 1458a_100000185857_100000695917 [0,2,0,0,0,0|1,0,1]=4 16091 B11R0.42 C=C(C)C(=O)NCCCCCC 11a_100000210581_100000185857 [0,2,0,0,0,0|0,0,1]=3 16092 B11R0.42 C=C(C)C(=O)NCCCCCC 1626a_100000210581_100000185857 [0,2,0,0,0,0|0,0,1]=3 16093 B11R0.42 C=C(C)C(=O)NCCCNCC 2230a_100016987756_100000210202 [0,2,0,0,0,0|1,0,1]=4 16094 B11R0.42 C=C(C)C(=O)NCCCOCC 11a_100000210961_100000185857 [0,2,0,0,0,0|1,0,1]=4 16095 B11R0.42 C=C(C)C(=O)NCCCOCC 1626a_100000210961_100000185857 [0,2,0,0,0,0|1,0,1]=4 16096 B11R0.42 C=C(C)C(=O)NCCNCCC 2230a_100102636416_100000210303 [0,2,0,0,0,0|1,0,1]=4 16097 B11R0.42 C=C(C)C(=O)NCCOCCC 1626a_100161115042_100000185857 [0,2,0,0,0,0|1,0,1]=4 16098 B11R0.42 C=C(C)C(=O)NCCSCCC 11a_100020603323_100000185857 [0,2,0,0,0,0|1,0,1]=4 16099 B11R0.42 C=C(C)C(=O)NNCCCCC 22a_100000694160_100000185857 [0,2,0,0,0,0|1,0,1]=4 16100 B11R0.42 C=C(C)C(=O)OCCCCOC 7a_100000065474_200000210301 [0,2,0,0,0,0|1,0,1]=4 16101 B11R0.42 C=C(C)C(=O)OCCCCO[13CH3] 7a_100000065474_200025704644 [0,2,0,0,0,0|1,0,1]=4 16102 B11R0.42 C=C(C)C(=O)OCCCOCC 7a_100000032641_100000210202 [0,2,0,0,0,0|1,0,1]=4 16103 B11R0.42 C=C(C)C(=O)OCCOCCC 34a_100000210258_100009816335 [0,2,0,0,0,0|1,0,1]=4 16104 B11R0.42 C=C(C)C(=O)OCCSCCC 62a_100000210303_100009816335 [0,2,0,0,0,0|1,0,1]=4 16105 B11R0.42 C=C(C)C(=O)OCCSCCC 62a_100009816335_100000210303 [0,2,0,0,0,0|1,0,1]=4 16106 B11R0.42 C=C(Cl)C(=O)NCCCCCC 11a_100000210581_100000039160 [0,2,0,0,0,0|0,0,2]=4 16107 B11R0.42 C=C(Cl)C(=O)NCCCCCC 1626a_100000210581_100000039160 [0,2,0,0,0,0|0,0,2]=4 16108 B11R0.42 C=C(F)C(=O)NCCCCCC 11a_100000210581_100000036797 [0,2,0,0,0,0|0,0,2]=4 16109 B11R0.42 C=C(F)C(=O)NCCCCCC 1626a_100000210581_100000036797 [0,2,0,0,0,0|0,0,2]=4 16110 B11R0.42 C=CCCCCCC(=O)C(=C)C 1458a_100000185857_100000700193 [0,2,0,0,0,0|0,0,2]=4 16111 B11R0.42 C=CCCCCCC(=O)C(C)C 1458a_100000210198_100000700193 [0,2,0,0,0,0|0,0,1]=3 16112 B11R0.42 C=CCCCCCC(=O)C(C)C 1458a_100011934241_100000210206 [0,2,0,0,0,0|0,0,1]=3 16113 B11R0.42 C=CCCCCCC(=O)C(C)F 1458a_100000062450_100000700193 [0,2,0,0,0,0|0,0,1]=3 16114 B11R0.42 C=CCCCCCC(=O)C(O)O 1458a_100000233687_100000700193 [0,2,0,0,0,0|1,0,1]=4 16115 B11R0.42 C=CCCCCCC(=O)N(C)C 11a_100102631434_100011934241 [0,2,0,0,0,0|1,0,1]=4 16116 B11R0.42 C=CCCCCCC(=O)N(C)C 1626a_100102631434_100011934241 [0,2,0,0,0,0|1,0,1]=4 16117 B11R0.42 C=CCCCCCC(=O)N(C)C 240690a_100102631434_100011934241 [0,2,0,0,0,0|1,0,1]=4 16118 B11R0.42 C=CCCCCCC(=O)N(C)C 527a_100102631434_100011934241 [0,2,0,0,0,0|1,0,1]=4 16119 B11R0.42 C=CCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000700193 [0,2,0,0,0,0|0,0,1]=3 16120 B11R0.42 C=CCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000700193 [0,2,0,0,0,0|0,0,1]=3 16121 B11R0.42 C=CCCCCNC(=O)C(C)C 11a_100000703577_100000210198 [0,2,0,0,0,0|0,0,2]=4 16122 B11R0.42 C=CCCCCNC(=O)C(C)C 1626a_100000703577_100000210198 [0,2,0,0,0,0|0,0,2]=4 16123 B11R0.42 C=CCCCCNC(=O)C(C)C 240690a_100000703577_100000210198 [0,2,0,0,0,0|0,0,2]=4 16124 B11R0.42 C=CCCCCNC(=O)C(C)C 527a_100000703577_100000210198 [0,2,0,0,0,0|0,0,2]=4 16125 B11R0.42 C=CCCCCNC(=O)C(C)F 11a_100000703577_100000062450 [0,2,0,0,0,0|0,0,2]=4 16126 B11R0.42 C=CCCCCNC(=O)C(C)F 1626a_100000703577_100000062450 [0,2,0,0,0,0|0,0,2]=4 16127 B11R0.42 C=CCCCCNC(=O)C(C)F 240690a_100000703577_100000062450 [0,2,0,0,0,0|0,0,2]=4 16128 B11R0.42 C=CCCCCNC(=O)C(C)F 527a_100000703577_100000062450 [0,2,0,0,0,0|0,0,2]=4 16129 B11R0.42 C=CCCCCNC(=O)[C@@H](C)O 240690a_100000703577_100000717761 [0,2,0,0,0,0|0,0,2]=4 16130 B11R0.42 C=CCCCCNC(=O)[C@H](C)O 1626a_100000703577_217856618621 [0,2,0,0,0,0|0,0,2]=4 16131 B11R0.42 C=CCCCCNC(=O)[C@H](C)O 240690a_100000703577_217856618621 [0,2,0,0,0,0|0,0,2]=4 16132 B11R0.42 C=CCCCNCC(=O)C(C)C 2230a_100000700776_100000753385 [0,2,0,0,0,0|0,0,2]=4 16133 B11R0.42 C=CCCCNCC(=O)C(C)C 34a_100000700776_100000753385 [0,2,0,0,0,0|0,0,2]=4 16134 B11R0.42 C=CCCCOCC(=O)C(C)C 34a_100000758997_100000753385 [0,2,0,0,0,0|0,0,2]=4 16135 B11R0.42 C=CCCCOCC(=O)C(C)C 7a_100000758997_100000753385 [0,2,0,0,0,0|0,0,2]=4 16136 B11R0.42 C=CCCCSCC(=O)C(C)C 62a_100000753385_100000757094 [0,2,0,0,0,0|0,0,2]=4 16137 B11R0.42 C=CCCCSCC(=O)C(C)C 62a_100011713584_100000753385 [0,2,0,0,0,0|0,0,2]=4 16138 B11R0.42 CC#CCCOCC(=O)C(C)C 34a_100000750427_100000753385 [0,2,0,0,0,0|0,0,2]=4 16139 B11R0.42 CC(=O)C(=O)CNCCCCO 34a_100000750430_100011261029 [0,2,0,0,0,0|1,0,1]=4 16140 B11R0.42 CC(=O)C(=O)COCCCCBr 34a_100011216708_100011261029 [0,2,0,0,0,0|1,0,1]=4 16141 B11R0.42 CC(=O)C(=O)COCCCCCl 34a_100000210776_100011261029 [0,2,0,0,0,0|1,0,1]=4 16142 B11R0.42 CC(=O)C(=O)COCCCCF 34a_100011995726_100011261029 [0,2,0,0,0,0|1,0,1]=4 16143 B11R0.42 CC(=O)C(=O)COCCCCI 34a_200012148704_100011261029 [0,2,0,0,0,0|1,0,1]=4 16144 B11R0.42 CC(=O)C(=O)COCCCCN 34a_100000750430_100011261029 [0,2,0,0,0,0|1,0,1]=4 16145 B11R0.42 CC(=O)C(=O)CSCCCCF 62a_100000729493_100011261029 [0,2,0,0,0,0|1,0,1]=4 16146 B11R0.42 CC(=O)C(=O)CSCCCCF 62a_100011261029_100000729493 [0,2,0,0,0,0|1,0,1]=4 16147 B11R0.42 CC(=O)C(=O)CSCCCCO 62a_100000210776_100011261029 [0,2,0,0,0,0|1,0,1]=4 16148 B11R0.42 CC(=O)C(=O)CSCCCCO 62a_100011261029_100000210776 [0,2,0,0,0,0|1,0,1]=4 16149 B11R0.42 CC(C)C(=O)CCCCCC#N 1458a_100000210198_100009813376 [0,2,0,0,0,0|0,0,1]=3 16150 B11R0.42 CC(C)C(=O)CCCCCCF 1458a_100000210198_100015922095 [0,2,0,0,0,0|0,0,0]=2 16151 B11R0.42 CC(C)C(=O)CCCCCCO 1458a_100000210198_100000766143 [0,2,0,0,0,0|0,0,0]=2 16152 B11R0.42 CC(C)C(=O)CCCCCCO 1458a_100011996774_100000210206 [0,2,0,0,0,0|0,0,0]=2 16153 B11R0.42 CC(C)C(=O)CCCCN=[N+]=[N-] 1458a_100000070148_100000210206 [0,2,0,0,0,0|2,0,0]=4 16154 B11R0.42 CC(C)C(=O)CNCCCCO 2230a_100000750430_100000753385 [0,2,0,0,0,0|1,0,0]=3 16155 B11R0.42 CC(C)C(=O)CNCCCCO 34a_100000750430_100000753385 [0,2,0,0,0,0|1,0,0]=3 16156 B11R0.42 CC(C)C(=O)COCCCCBr 34a_100011216708_100000753385 [0,2,0,0,0,0|1,0,0]=3 16157 B11R0.42 CC(C)C(=O)COCCCCCl 34a_100000210776_100000753385 [0,2,0,0,0,0|1,0,0]=3 16158 B11R0.42 CC(C)C(=O)COCCCCCl 7a_100000210776_100000753385 [0,2,0,0,0,0|1,0,0]=3 16159 B11R0.42 CC(C)C(=O)COCCCCF 34a_100011995726_100000753385 [0,2,0,0,0,0|1,0,0]=3 16160 B11R0.42 CC(C)C(=O)COCCCCF 7a_100011995726_100000753385 [0,2,0,0,0,0|1,0,0]=3 16161 B11R0.42 CC(C)C(=O)COCCCCI 34a_200012148704_100000753385 [0,2,0,0,0,0|1,0,0]=3 16162 B11R0.42 CC(C)C(=O)COCCCCN 34a_100000750430_100000753385 [0,2,0,0,0,0|1,0,0]=3 16163 B11R0.42 CC(C)C(=O)CSCCCC#N 62a_100000687738_100000753385 [0,2,0,0,0,0|1,0,1]=4 16164 B11R0.42 CC(C)C(=O)CSCCCC#N 62a_100000753385_100000687738 [0,2,0,0,0,0|1,0,1]=4 16165 B11R0.42 CC(C)C(=O)CSCCCC=O 62a_100000753385_200011292268 [0,2,0,0,0,0|1,0,1]=4 16166 B11R0.42 CC(C)C(=O)CSCCCC=O 62a_200011292268_100000753385 [0,2,0,0,0,0|1,0,1]=4 16167 B11R0.42 CC(C)C(=O)CSCCCCF 62a_100000729493_100000753385 [0,2,0,0,0,0|1,0,0]=3 16168 B11R0.42 CC(C)C(=O)CSCCCCF 62a_100000753385_100000729493 [0,2,0,0,0,0|1,0,0]=3 16169 B11R0.42 CC(C)C(=O)CSCCCCO 62a_100000210776_100000753385 [0,2,0,0,0,0|1,0,0]=3 16170 B11R0.42 CC(C)C(=O)CSCCCCO 62a_100000753385_100000210776 [0,2,0,0,0,0|1,0,0]=3 16171 B11R0.42 CC(C)C(=O)NCCCCC#N 11a_100000751965_100000210198 [0,2,0,0,0,0|1,0,1]=4 16172 B11R0.42 CC(C)C(=O)NCCCCC#N 1626a_100000751965_100000210198 [0,2,0,0,0,0|1,0,1]=4 16173 B11R0.42 CC(C)C(=O)NCCCCC#N 240690a_100000751965_100000210198 [0,2,0,0,0,0|1,0,1]=4 16174 B11R0.42 CC(C)C(=O)NCCCCC#N 527a_100000751965_100000210198 [0,2,0,0,0,0|1,0,1]=4 16175 B11R0.42 CC(C)C(=O)NCCCCCO 240690a_100000762737_100000210198 [0,2,0,0,0,0|1,0,0]=3 16176 B11R0.42 CC(C)C(=O)NCCNCCF 2230a_100000752568_100011217306 [0,2,0,0,0,0|2,0,0]=4 16177 B11R0.42 CC(C)C(=O)NCCNCCF 34a_100000752568_100011217306 [0,2,0,0,0,0|2,0,0]=4 16178 B11R0.42 CC(C)C(=O)NCCNCCO 2230a_100000752568_100000211926 [0,2,0,0,0,0|2,0,0]=4 16179 B11R0.42 CC(C)C(=O)NCCNCCO 34a_100000752568_100000211926 [0,2,0,0,0,0|2,0,0]=4 16180 B11R0.42 CC(C)C(=O)NCCOCCO 240690a_100000211614_100000210198 [0,2,0,0,0,0|2,0,0]=4 16181 B11R0.42 CC(C)C(=O)NCCSCCO 240690a_100011219999_100000210198 [0,2,0,0,0,0|2,0,0]=4 16182 B11R0.42 CC(C)C(=O)NCCSCCO 527a_100011219999_100000210198 [0,2,0,0,0,0|2,0,0]=4 16183 B11R0.42 CC(C)C(=O)OCSCCCF 62a_100000139345_100011934791 [0,2,0,0,0,0|2,0,0]=4 16184 B11R0.42 CC(C)C(=O)OCSCCCF 62a_100011934791_100000139345 [0,2,0,0,0,0|2,0,0]=4 16185 B11R0.42 CC(C)C(=O)OCSCCCO 62a_100000139345_100011215043 [0,2,0,0,0,0|2,0,0]=4 16186 B11R0.42 CC(C)C(=O)OCSCCCO 62a_100011215043_100000139345 [0,2,0,0,0,0|2,0,0]=4 16187 B11R0.42 CC(C)N(C)CCCCCCF 269982a_200000211004_100015922095 [0,2,0,0,0,0|2,0,0]=4 16188 B11R0.42 CC(C)N(C)CCCCCCO 269982a_200000211004_100000766143 [0,2,0,0,0,0|2,0,0]=4 16189 B11R0.42 CC(F)C(=O)CCCCCC#N 1458a_100000062450_100009813376 [0,2,0,0,0,0|0,0,1]=3 16190 B11R0.42 CC(F)C(=O)CCCCCCF 1458a_100000062450_100015922095 [0,2,0,0,0,0|0,0,0]=2 16191 B11R0.42 CC(F)C(=O)CCCCCCO 1458a_100000062450_100000766143 [0,2,0,0,0,0|0,0,0]=2 16192 B11R0.42 CC(F)C(=O)NCCCCC#N 11a_100000751965_100000062450 [0,2,0,0,0,0|1,0,1]=4 16193 B11R0.42 CC(F)C(=O)NCCCCC#N 1626a_100000751965_100000062450 [0,2,0,0,0,0|1,0,1]=4 16194 B11R0.42 CC(F)C(=O)NCCCCC#N 240690a_100000751965_100000062450 [0,2,0,0,0,0|1,0,1]=4 16195 B11R0.42 CC(F)C(=O)NCCCCC#N 527a_100000751965_100000062450 [0,2,0,0,0,0|1,0,1]=4 16196 B11R0.42 CC(F)C(=O)NCCCCCO 240690a_100000762737_100000062450 [0,2,0,0,0,0|1,0,0]=3 16197 B11R0.42 CC(F)C(=O)NCCOCCO 240690a_100000211614_100000062450 [0,2,0,0,0,0|2,0,0]=4 16198 B11R0.42 CC(F)C(=O)NCCSCCO 240690a_100011219999_100000062450 [0,2,0,0,0,0|2,0,0]=4 16199 B11R0.42 CC(F)C(=O)NCCSCCO 527a_100011219999_100000062450 [0,2,0,0,0,0|2,0,0]=4 16200 B11R0.42 CC/C=C\COCC(=O)C(C)C 34a_100016268518_100000753385 [0,2,0,0,0,0|0,0,2]=4 16201 B11R0.42 CC/C=C\CSCC(=O)C(C)C 62a_100000753385_100103147603 [0,2,0,0,0,0|0,0,2]=4 16202 B11R0.42 CC/C=C\CSCC(=O)C(C)C 62a_100103147603_100000753385 [0,2,0,0,0,0|0,0,2]=4 16203 B11R0.42 CCC#CCOCC(=O)C(C)C 34a_100000032950_100000753385 [0,2,0,0,0,0|0,0,2]=4 16204 B11R0.42 CCC#CCSCC(=O)C(C)C 62a_100000753385_100009813939 [0,2,0,0,0,0|0,0,2]=4 16205 B11R0.42 CCC#CCSCC(=O)C(C)C 62a_100009813939_100000753385 [0,2,0,0,0,0|0,0,2]=4 16206 B11R0.42 CCCC/C=C/CC(=O)C(C)C 1458a_200016282684_100000210206 [0,2,0,0,0,0|0,0,1]=3 16207 B11R0.42 CCCC/C=C/CC(=O)N(C)C 11a_100102631434_200016282684 [0,2,0,0,0,0|1,0,1]=4 16208 B11R0.42 CCCC/C=C/CC(=O)N(C)C 1626a_100102631434_200016282684 [0,2,0,0,0,0|1,0,1]=4 16209 B11R0.42 CCCC/C=C/CC(=O)N(C)C 240690a_100102631434_200016282684 [0,2,0,0,0,0|1,0,1]=4 16210 B11R0.42 CCCC/C=C/CC(=O)N(C)C 527a_100102631434_200016282684 [0,2,0,0,0,0|1,0,1]=4 16211 B11R0.42 CCCCC=NNC(=O)C(C)C 4a_100000184118_100000210104 [0,2,0,0,0,0|1,0,1]=4 16212 B11R0.42 CCCCCC#CC(=O)C(C)C 1458a_100011215388_100000210206 [0,2,0,0,0,0|0,0,1]=3 16213 B11R0.42 CCCCCC#CC(=O)N(C)C 240690a_100102631434_100011215388 [0,2,0,0,0,0|1,0,1]=4 16214 B11R0.42 CCCCCC=CC(=O)C(C)C 1458a_100016263427_100000210206 [0,2,0,0,0,0|0,0,1]=3 16215 B11R0.42 CCCCCC=CC(=O)N(C)C 11a_100102631434_100016263427 [0,2,0,0,0,0|1,0,1]=4 16216 B11R0.42 CCCCCC=CC(=O)N(C)C 1626a_100102631434_100016263427 [0,2,0,0,0,0|1,0,1]=4 16217 B11R0.42 CCCCCC=CC(=O)N(C)C 240690a_100102631434_100016263427 [0,2,0,0,0,0|1,0,1]=4 16218 B11R0.42 CCCCCCCC(=O)C(C)C 1458a_100000210198_100000210614 [0,2,0,0,0,0|0,0,0]=2 16219 B11R0.42 CCCCCCCC(=O)C(C)C 1458a_100000211969_100000210206 [0,2,0,0,0,0|0,0,0]=2 16220 B11R0.42 CCCCCCCC(=O)C(C)F 1458a_100000062450_100000210614 [0,2,0,0,0,0|0,0,0]=2 16221 B11R0.42 CCCCCCCC(=O)C(O)O 1458a_100000233687_100000210614 [0,2,0,0,0,0|1,0,0]=3 16222 B11R0.42 CCCCCCCC(=O)N(C)C 11a_100102631434_100000211969 [0,2,0,0,0,0|1,0,0]=3 16223 B11R0.42 CCCCCCCC(=O)N(C)C 1626a_100102631434_100000211969 [0,2,0,0,0,0|1,0,0]=3 16224 B11R0.42 CCCCCCCC(=O)N(C)C 240690a_100102631434_100000211969 [0,2,0,0,0,0|1,0,0]=3 16225 B11R0.42 CCCCCCCC(=O)N(C)C 527a_100102631434_100000211969 [0,2,0,0,0,0|1,0,0]=3 16226 B11R0.42 CCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210614 [0,2,0,0,0,0|0,0,0]=2 16227 B11R0.42 CCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210614 [0,2,0,0,0,0|0,0,0]=2 16228 B11R0.42 CCCCCCCN(C)C(C)C 2230a_100000228206_100000210206 [0,2,0,0,0,0|2,0,0]=4 16229 B11R0.42 CCCCCCCN(C)C(C)C 269982a_100000228206_100000210206 [0,2,0,0,0,0|2,0,0]=4 16230 B11R0.42 CCCCCCCN(C)C(C)C 269982a_200000211004_100000210681 [0,2,0,0,0,0|2,0,0]=4 16231 B11R0.42 CCCCCCNC(=O)C(=O)N 240690a_100000210581_100011215815 [0,2,0,0,0,0|1,0,1]=4 16232 B11R0.42 CCCCCCNC(=O)C(C)C 11a_100000210581_100000210198 [0,2,0,0,0,0|0,0,0]=2 16233 B11R0.42 CCCCCCNC(=O)C(C)C 1626a_100000210581_100000210198 [0,2,0,0,0,0|0,0,0]=2 16234 B11R0.42 CCCCCCNC(=O)C(C)C 240690a_100000210581_100000210198 [0,2,0,0,0,0|0,0,0]=2 16235 B11R0.42 CCCCCCNC(=O)C(C)C 527a_100000210581_100000210198 [0,2,0,0,0,0|0,0,0]=2 16236 B11R0.42 CCCCCCNC(=O)C(C)F 11a_100000210581_100000062450 [0,2,0,0,0,0|0,0,0]=2 16237 B11R0.42 CCCCCCNC(=O)C(C)F 1626a_100000210581_100000062450 [0,2,0,0,0,0|0,0,0]=2 16238 B11R0.42 CCCCCCNC(=O)C(C)F 240690a_100000210581_100000062450 [0,2,0,0,0,0|0,0,0]=2 16239 B11R0.42 CCCCCCNC(=O)C(C)F 527a_100000210581_100000062450 [0,2,0,0,0,0|0,0,0]=2 16240 B11R0.42 CCCCCCNC(=O)C(F)F 11a_100000210581_100000210393 [0,2,0,0,0,0|1,0,0]=3 16241 B11R0.42 CCCCCCNC(=O)C(F)F 1626a_100000210581_100000210393 [0,2,0,0,0,0|1,0,0]=3 16242 B11R0.42 CCCCCCNC(=O)C(F)F 240690a_100000210581_100000210393 [0,2,0,0,0,0|1,0,0]=3 16243 B11R0.42 CCCCCCNC(=O)C(F)F 527a_100000210581_100000210393 [0,2,0,0,0,0|1,0,0]=3 16244 B11R0.42 CCCCCCNC(=O)C(O)O 240690a_100000210581_100000233687 [0,2,0,0,0,0|1,0,0]=3 16245 B11R0.42 CCCCCCNC(=O)N(C)C 2708a_100000210581_100102631434 [0,2,0,0,0,0|1,0,0]=3 16246 B11R0.42 CCCCCCNC(=O)[C@@H](C)O 240690a_100000210581_100000717761 [0,2,0,0,0,0|0,0,0]=2 16247 B11R0.42 CCCCCCNC(=O)[C@H](C)O 1626a_100000210581_217856618621 [0,2,0,0,0,0|0,0,0]=2 16248 B11R0.42 CCCCCCNC(=O)[C@H](C)O 240690a_100000210581_217856618621 [0,2,0,0,0,0|0,0,0]=2 16249 B11R0.42 CCCCCCNC(C)C(C)C 2230a_100000211541_100000210314 [0,2,0,0,0,0|1,0,1]=4 16250 B11R0.42 CCCCCCOC(C)C(C)C 7a_100000748068_100000210314 [0,2,0,0,0,0|1,0,1]=4 16251 B11R0.42 CCCCCNCC(=O)C(C)C 2230a_100000209983_100000753385 [0,2,0,0,0,0|0,0,0]=2 16252 B11R0.42 CCCCCNCC(=O)N(C)C 2230a_100000209983_100000185267 [0,2,0,0,0,0|1,0,0]=3 16253 B11R0.42 CCCCCNCC(=O)N(C)C 2230a_100015183351_100000210326 [0,2,0,0,0,0|1,0,0]=3 16254 B11R0.42 CCCCCNCC(O)C(C)C 2230a_100000759067_100000210326 [0,2,0,0,0,0|0,0,2]=4 16255 B11R0.42 CCCCCNCC(O)C(C)C 34a_100000759067_100000718602 [0,2,0,0,0,0|0,0,2]=4 16256 B11R0.42 CCCCCNN=C(C)C(C)C 4a_100000694160_100000211110 [0,2,0,0,0,0|2,0,0]=4 16257 B11R0.42 CCCCCNN=C(C)C(C)O 4a_100000694160_100000212229 [0,2,0,0,0,0|2,0,0]=4 16258 B11R0.42 CCCCCNNC(=O)C(C)C 22a_100000694160_100000210198 [0,2,0,0,0,0|1,0,0]=3 16259 B11R0.42 CCCCCNNC(=O)C(C)F 22a_100000694160_100000062450 [0,2,0,0,0,0|1,0,0]=3 16260 B11R0.42 CCCCCNNC(=O)C(F)F 22a_100000694160_100000210393 [0,2,0,0,0,0|2,0,0]=4 16261 B11R0.42 CCCCCNNC(=O)C(O)O 22a_100000694160_100000233687 [0,2,0,0,0,0|2,0,0]=4 16262 B11R0.42 CCCCCNNC(=O)[C@@H](C)O 22a_100000694160_100000717761 [0,2,0,0,0,0|1,0,0]=3 16263 B11R0.42 CCCCCNNC(=O)[C@H](C)O 22a_100000694160_217856618621 [0,2,0,0,0,0|1,0,0]=3 16264 B11R0.42 CCCCCOCC(=O)C(=O)C 34a_100000210253_100011261029 [0,2,0,0,0,0|0,0,1]=3 16265 B11R0.42 CCCCCOCC(=O)C(C)C 34a_100000210253_100000753385 [0,2,0,0,0,0|0,0,0]=2 16266 B11R0.42 CCCCCOCC(=O)C(C)C 7a_100000210253_100000753385 [0,2,0,0,0,0|0,0,0]=2 16267 B11R0.42 CCCCCOCC(=O)N(C)C 34a_100000210253_100000692301 [0,2,0,0,0,0|1,0,0]=3 16268 B11R0.42 CCCCCOCC(=O)N(C)C 7a_100000210253_100000692301 [0,2,0,0,0,0|1,0,0]=3 16269 B11R0.42 CCCCCOC[C@H](N)C(C)C 34a_100011830312_100000718602 [0,2,0,0,0,0|1,0,1]=4 16270 B11R0.42 CCCCCSCC(=O)C(=O)C 62a_100000210326_100011261029 [0,2,0,0,0,0|0,0,1]=3 16271 B11R0.42 CCCCCSCC(=O)C(=O)C 62a_100011261029_100000210326 [0,2,0,0,0,0|0,0,1]=3 16272 B11R0.42 CCCCCSCC(=O)C(C)C 62a_100000210326_100000753385 [0,2,0,0,0,0|0,0,0]=2 16273 B11R0.42 CCCCCSCC(=O)C(C)C 62a_100000753385_100000210326 [0,2,0,0,0,0|0,0,0]=2 16274 B11R0.42 CCCCCSCC(=O)N(C)C 62a_100000210326_100000692301 [0,2,0,0,0,0|1,0,0]=3 16275 B11R0.42 CCCCCSCC(=O)N(C)C 62a_100000692301_100000210326 [0,2,0,0,0,0|1,0,0]=3 16276 B11R0.42 CCCCNCCC(=O)N(C)C 2230a_100000102301_100000737620 [0,2,0,0,0,0|1,0,0]=3 16277 B11R0.42 CCCCNCCC(=O)N(C)C 2230a_100000738053_100000210211 [0,2,0,0,0,0|1,0,0]=3 16278 B11R0.42 CCCCNCCC(=O)N(C)C 7a_106832991798_100000737620 [0,2,0,0,0,0|1,0,0]=3 16279 B11R0.42 CCCCOCCC(=O)C(C)C 1458a_100000210198_100000743108 [0,2,0,0,0,0|0,0,0]=2 16280 B11R0.42 CCCCOCCC(=O)C(C)F 1458a_100000062450_100000743108 [0,2,0,0,0,0|0,0,0]=2 16281 B11R0.42 CCCCOCCC(=O)C(O)O 1458a_100000233687_100000743108 [0,2,0,0,0,0|1,0,0]=3 16282 B11R0.42 CCCCOCCC(=O)N(C)C 34a_200000747469_100000210210 [0,2,0,0,0,0|1,0,0]=3 16283 B11R0.42 CCCCOCCC(=O)N(C)C 7a_100000210227_100000737620 [0,2,0,0,0,0|1,0,0]=3 16284 B11R0.42 CCCCOCCC(=O)[C@@H](C)O 1458a_100000717761_100000743108 [0,2,0,0,0,0|0,0,0]=2 16285 B11R0.42 CCCCOCCC(=O)[C@H](C)O 1458a_217856618621_100000743108 [0,2,0,0,0,0|0,0,0]=2 16286 B11R0.42 CCCCOCCC(N)C(C)C 34a_100161115045_100000210210 [0,2,0,0,0,0|1,0,1]=4 16287 B11R0.42 CCCCOCCN(C)C(C)C 269982a_200000211004_100000743108 [0,2,0,0,0,0|2,0,0]=4 16288 B11R0.42 CCCCSCCC(=O)N(C)C 62a_100000210211_100000737620 [0,2,0,0,0,0|1,0,0]=3 16289 B11R0.42 CCCCSCCC(=O)N(C)C 62a_100000737620_100000210210 [0,2,0,0,0,0|1,0,0]=3 16290 B11R0.42 CCCCSCOC(=O)C(C)C 62a_100000139345_100000210210 [0,2,0,0,0,0|1,0,0]=3 16291 B11R0.42 CCCCSCOC(=O)C(C)C 62a_100000210211_100000139345 [0,2,0,0,0,0|1,0,0]=3 16292 B11R0.42 CCCNCCCC(=O)N(C)C 2230a_200000744827_100000210303 [0,2,0,0,0,0|1,0,0]=3 16293 B11R0.42 CCCNCCNC(=O)C(C)C 2230a_100000752568_100000210303 [0,2,0,0,0,0|1,0,0]=3 16294 B11R0.42 CCCNCCNC(=O)C(C)C 34a_100000752568_100000210303 [0,2,0,0,0,0|1,0,0]=3 16295 B11R0.42 CCCOCCNC(=O)C(C)C 1626a_100161115042_100000210198 [0,2,0,0,0,0|1,0,0]=3 16296 B11R0.42 CCCOCCNC(=O)C(C)C 240690a_100161115042_100000210198 [0,2,0,0,0,0|1,0,0]=3 16297 B11R0.42 CCCOCCNC(=O)C(C)C 527a_100161115042_100000210198 [0,2,0,0,0,0|1,0,0]=3 16298 B11R0.42 CCCOCCNC(=O)C(C)F 1626a_100161115042_100000062450 [0,2,0,0,0,0|1,0,0]=3 16299 B11R0.42 CCCOCCNC(=O)C(C)F 240690a_100161115042_100000062450 [0,2,0,0,0,0|1,0,0]=3 16300 B11R0.42 CCCOCCNC(=O)C(C)F 527a_100161115042_100000062450 [0,2,0,0,0,0|1,0,0]=3 16301 B11R0.42 CCCOCCNC(=O)C(F)F 1626a_100161115042_100000210393 [0,2,0,0,0,0|2,0,0]=4 16302 B11R0.42 CCCOCCNC(=O)C(F)F 240690a_100161115042_100000210393 [0,2,0,0,0,0|2,0,0]=4 16303 B11R0.42 CCCOCCNC(=O)C(F)F 527a_100161115042_100000210393 [0,2,0,0,0,0|2,0,0]=4 16304 B11R0.42 CCCOCCNC(=O)C(O)O 240690a_100161115042_100000233687 [0,2,0,0,0,0|2,0,0]=4 16305 B11R0.42 CCCOCCNC(=O)N(C)C 2708a_100161115042_100102631434 [0,2,0,0,0,0|2,0,0]=4 16306 B11R0.42 CCCOCCNC(=O)[C@@H](C)O 240690a_100161115042_100000717761 [0,2,0,0,0,0|1,0,0]=3 16307 B11R0.42 CCCOCCNC(=O)[C@H](C)O 1626a_100161115042_217856618621 [0,2,0,0,0,0|1,0,0]=3 16308 B11R0.42 CCCOCCNC(=O)[C@H](C)O 240690a_100161115042_217856618621 [0,2,0,0,0,0|1,0,0]=3 16309 B11R0.42 CCCSCCCC(=O)N(C)C 62a_100000210303_100000737642 [0,2,0,0,0,0|1,0,0]=3 16310 B11R0.42 CCCSCCCC(=O)N(C)C 62a_100000737642_100000210303 [0,2,0,0,0,0|1,0,0]=3 16311 B11R0.42 CCCSCCNC(=O)C(C)C 11a_100020603323_100000210198 [0,2,0,0,0,0|1,0,0]=3 16312 B11R0.42 CCCSCCNC(=O)C(C)C 240690a_100020603323_100000210198 [0,2,0,0,0,0|1,0,0]=3 16313 B11R0.42 CCCSCCNC(=O)C(C)C 527a_100020603323_100000210198 [0,2,0,0,0,0|1,0,0]=3 16314 B11R0.42 CCCSCCNC(=O)C(C)F 11a_100020603323_100000062450 [0,2,0,0,0,0|1,0,0]=3 16315 B11R0.42 CCCSCCNC(=O)C(C)F 240690a_100020603323_100000062450 [0,2,0,0,0,0|1,0,0]=3 16316 B11R0.42 CCCSCCNC(=O)C(C)F 527a_100020603323_100000062450 [0,2,0,0,0,0|1,0,0]=3 16317 B11R0.42 CCCSCCNC(=O)C(F)F 11a_100020603323_100000210393 [0,2,0,0,0,0|2,0,0]=4 16318 B11R0.42 CCCSCCNC(=O)C(F)F 240690a_100020603323_100000210393 [0,2,0,0,0,0|2,0,0]=4 16319 B11R0.42 CCCSCCNC(=O)C(F)F 527a_100020603323_100000210393 [0,2,0,0,0,0|2,0,0]=4 16320 B11R0.42 CCCSCCNC(=O)C(O)O 240690a_100020603323_100000233687 [0,2,0,0,0,0|2,0,0]=4 16321 B11R0.42 CCCSCCNC(=O)N(C)C 2708a_100020603323_100102631434 [0,2,0,0,0,0|2,0,0]=4 16322 B11R0.42 CCCSCCNC(=O)[C@@H](C)O 240690a_100020603323_100000717761 [0,2,0,0,0,0|1,0,0]=3 16323 B11R0.42 CCCSCCNC(=O)[C@H](C)O 240690a_100020603323_217856618621 [0,2,0,0,0,0|1,0,0]=3 16324 B11R0.42 CCOCCCCC(=O)N(C)C 34a_100121572206_100000752486 [0,2,0,0,0,0|1,0,0]=3 16325 B11R0.42 CCOCCCNC(=O)C(C)C 11a_100000210961_100000210198 [0,2,0,0,0,0|1,0,0]=3 16326 B11R0.42 CCOCCCNC(=O)C(C)C 1626a_100000210961_100000210198 [0,2,0,0,0,0|1,0,0]=3 16327 B11R0.42 CCOCCCNC(=O)C(C)C 240690a_100000210961_100000210198 [0,2,0,0,0,0|1,0,0]=3 16328 B11R0.42 CCOCCCNC(=O)C(C)C 527a_100000210961_100000210198 [0,2,0,0,0,0|1,0,0]=3 16329 B11R0.42 CCOCCCNC(=O)C(C)F 11a_100000210961_100000062450 [0,2,0,0,0,0|1,0,0]=3 16330 B11R0.42 CCOCCCNC(=O)C(C)F 1626a_100000210961_100000062450 [0,2,0,0,0,0|1,0,0]=3 16331 B11R0.42 CCOCCCNC(=O)C(C)F 240690a_100000210961_100000062450 [0,2,0,0,0,0|1,0,0]=3 16332 B11R0.42 CCOCCCNC(=O)C(C)F 527a_100000210961_100000062450 [0,2,0,0,0,0|1,0,0]=3 16333 B11R0.42 CCOCCCNC(=O)C(F)F 11a_100000210961_100000210393 [0,2,0,0,0,0|2,0,0]=4 16334 B11R0.42 CCOCCCNC(=O)C(F)F 1626a_100000210961_100000210393 [0,2,0,0,0,0|2,0,0]=4 16335 B11R0.42 CCOCCCNC(=O)C(F)F 240690a_100000210961_100000210393 [0,2,0,0,0,0|2,0,0]=4 16336 B11R0.42 CCOCCCNC(=O)C(F)F 527a_100000210961_100000210393 [0,2,0,0,0,0|2,0,0]=4 16337 B11R0.42 CCOCCCNC(=O)C(O)O 240690a_100000210961_100000233687 [0,2,0,0,0,0|2,0,0]=4 16338 B11R0.42 CCOCCCNC(=O)N(C)C 2708a_100000210961_100102631434 [0,2,0,0,0,0|2,0,0]=4 16339 B11R0.42 CCOCCCNC(=O)[C@@H](C)O 240690a_100000210961_100000717761 [0,2,0,0,0,0|1,0,0]=3 16340 B11R0.42 CCOCCCNC(=O)[C@H](C)O 1626a_100000210961_217856618621 [0,2,0,0,0,0|1,0,0]=3 16341 B11R0.42 CCOCCCNC(=O)[C@H](C)O 240690a_100000210961_217856618621 [0,2,0,0,0,0|1,0,0]=3 16342 B11R0.42 CCOCCNCC(=O)C(=O)C 34a_102516460346_100011261029 [0,2,0,0,0,0|1,0,1]=4 16343 B11R0.42 CCOCCNCC(=O)C(C)C 2230a_102516460346_100000753385 [0,2,0,0,0,0|1,0,0]=3 16344 B11R0.42 CCOCCNCC(=O)C(C)C 34a_102516460346_100000753385 [0,2,0,0,0,0|1,0,0]=3 16345 B11R0.42 CCOCCNCC(=O)N(C)C 2230a_100015183351_100011215890 [0,2,0,0,0,0|2,0,0]=4 16346 B11R0.42 CCOCCNCC(=O)N(C)C 2230a_102516460346_100000185267 [0,2,0,0,0,0|2,0,0]=4 16347 B11R0.42 CCOCCNCC(=O)N(C)C 34a_102516460346_100000692301 [0,2,0,0,0,0|2,0,0]=4 16348 B11R0.42 CCOCCNNC(=O)C(C)C 22a_100000732670_100000210198 [0,2,0,0,0,0|2,0,0]=4 16349 B11R0.42 CCOCCNNC(=O)C(C)F 22a_100000732670_100000062450 [0,2,0,0,0,0|2,0,0]=4 16350 B11R0.42 CCOCCNNC(=O)[C@@H](C)O 22a_100000732670_100000717761 [0,2,0,0,0,0|2,0,0]=4 16351 B11R0.42 CCOCCNNC(=O)[C@H](C)O 22a_100000732670_217856618621 [0,2,0,0,0,0|2,0,0]=4 16352 B11R0.42 CCOCCOCC(=O)C(=O)C 34a_100000210136_100011261029 [0,2,0,0,0,0|1,0,1]=4 16353 B11R0.42 CCOCCOCC(=O)C(C)C 34a_100000210136_100000753385 [0,2,0,0,0,0|1,0,0]=3 16354 B11R0.42 CCOCCOCC(=O)C(C)C 7a_100000210136_100000753385 [0,2,0,0,0,0|1,0,0]=3 16355 B11R0.42 CCOCCOCC(=O)N(C)C 34a_100000210136_100000692301 [0,2,0,0,0,0|2,0,0]=4 16356 B11R0.42 CCOCCOCC(=O)N(C)C 7a_100000210136_100000692301 [0,2,0,0,0,0|2,0,0]=4 16357 B11R0.42 CCOCCSCC(=O)C(=O)C 62a_100000210147_100011261029 [0,2,0,0,0,0|1,0,1]=4 16358 B11R0.42 CCOCCSCC(=O)C(=O)C 62a_100011261029_100011215890 [0,2,0,0,0,0|1,0,1]=4 16359 B11R0.42 CCOCCSCC(=O)C(C)C 62a_100000210147_100000753385 [0,2,0,0,0,0|1,0,0]=3 16360 B11R0.42 CCOCCSCC(=O)C(C)C 62a_100000753385_100011215890 [0,2,0,0,0,0|1,0,0]=3 16361 B11R0.42 CCOCCSCC(=O)N(C)C 62a_100000210147_100000692301 [0,2,0,0,0,0|2,0,0]=4 16362 B11R0.42 CCOCCSCC(=O)N(C)C 62a_100000692301_100011215890 [0,2,0,0,0,0|2,0,0]=4 16363 B11R0.42 CCOCSCCC(=O)N(C)C 62a_100000737620_100000739092 [0,2,0,0,0,0|2,0,0]=4 16364 B11R0.42 CCOCSCCC(=O)N(C)C 62a_100000739092_100000737620 [0,2,0,0,0,0|2,0,0]=4 16365 B11R0.42 CCOCSCOC(=O)C(C)C 62a_100000139345_100000739092 [0,2,0,0,0,0|2,0,0]=4 16366 B11R0.42 CCOCSCOC(=O)C(C)C 62a_100000739092_100000139345 [0,2,0,0,0,0|2,0,0]=4 16367 B11R0.42 CCSCCCCC(=O)N(C)C 62a_100000210202_100000752486 [0,2,0,0,0,0|1,0,0]=3 16368 B11R0.42 CCSCCCCC(=O)N(C)C 62a_100000752486_100000210202 [0,2,0,0,0,0|1,0,0]=3 16369 B11R0.42 CCSCCNCC(=O)C(C)C 2230a_100000106463_100000753385 [0,2,0,0,0,0|1,0,0]=3 16370 B11R0.42 CCSCCNCC(=O)N(C)C 2230a_100000106463_100000185267 [0,2,0,0,0,0|2,0,0]=4 16371 B11R0.42 CCSCCNCC(=O)N(C)C 2230a_100015183351_100000757381 [0,2,0,0,0,0|2,0,0]=4 16372 B11R0.42 CCSCCOCC(=O)C(=O)C 34a_100000212035_100011261029 [0,2,0,0,0,0|1,0,1]=4 16373 B11R0.42 CCSCCOCC(=O)C(C)C 34a_100000212035_100000753385 [0,2,0,0,0,0|1,0,0]=3 16374 B11R0.42 CCSCCOCC(=O)C(C)C 7a_100000212035_100000753385 [0,2,0,0,0,0|1,0,0]=3 16375 B11R0.42 CCSCCOCC(=O)N(C)C 34a_100000212035_100000692301 [0,2,0,0,0,0|2,0,0]=4 16376 B11R0.42 CCSCCOCC(=O)N(C)C 7a_100000212035_100000692301 [0,2,0,0,0,0|2,0,0]=4 16377 B11R0.42 CCSCCSCC(=O)C(=O)C 62a_100000757381_100011261029 [0,2,0,0,0,0|1,0,1]=4 16378 B11R0.42 CCSCCSCC(=O)C(=O)C 62a_100011261029_100000757381 [0,2,0,0,0,0|1,0,1]=4 16379 B11R0.42 CCSCCSCC(=O)C(C)C 62a_100000753385_100000757381 [0,2,0,0,0,0|1,0,0]=3 16380 B11R0.42 CCSCCSCC(=O)C(C)C 62a_100000757381_100000753385 [0,2,0,0,0,0|1,0,0]=3 16381 B11R0.42 CCSCCSCC(=O)N(C)C 62a_100000692301_100000757381 [0,2,0,0,0,0|2,0,0]=4 16382 B11R0.42 CCSCCSCC(=O)N(C)C 62a_100000757381_100000692301 [0,2,0,0,0,0|2,0,0]=4 16383 B11R0.42 CN(C)C(=O)CCCCCCO 240690a_100102631434_100011996774 [0,2,0,0,0,0|1,0,0]=3 16384 B11R0.42 CN(C)C(=O)CCCCSCF 62a_100000752486_100015361967 [0,2,0,0,0,0|2,0,0]=4 16385 B11R0.42 CN(C)C(=O)CCCCSCF 62a_100015361967_100000752486 [0,2,0,0,0,0|2,0,0]=4 16386 B11R0.42 CN(C)C(=O)CCCNCCF 2230a_200000744827_100011217306 [0,2,0,0,0,0|2,0,0]=4 16387 B11R0.42 CN(C)C(=O)CCCNCCO 2230a_100016997473_100000737642 [0,2,0,0,0,0|2,0,0]=4 16388 B11R0.42 CN(C)C(=O)CCCNCCO 2230a_200000744827_100000211926 [0,2,0,0,0,0|2,0,0]=4 16389 B11R0.42 CN(C)C(=O)CCCSCCF 62a_100000737642_100011217306 [0,2,0,0,0,0|2,0,0]=4 16390 B11R0.42 CN(C)C(=O)CCCSCCF 62a_100011217306_100000737642 [0,2,0,0,0,0|2,0,0]=4 16391 B11R0.42 CN(C)C(=O)CCCSCCO 62a_100000211926_100000737642 [0,2,0,0,0,0|2,0,0]=4 16392 B11R0.42 CN(C)C(=O)CCCSCCO 62a_100000737642_100000211926 [0,2,0,0,0,0|2,0,0]=4 16393 B11R0.42 CN(C)C(=O)CCNCCCF 2230a_100000738053_100011934791 [0,2,0,0,0,0|2,0,0]=4 16394 B11R0.42 CN(C)C(=O)CCNCCCF 2230a_100015189416_100000737620 [0,2,0,0,0,0|2,0,0]=4 16395 B11R0.42 CN(C)C(=O)CCNCCCO 2230a_100000738053_100000230001 [0,2,0,0,0,0|2,0,0]=4 16396 B11R0.42 CN(C)C(=O)CCOCCCF 34a_200000747469_100011934791 [0,2,0,0,0,0|2,0,0]=4 16397 B11R0.42 CN(C)C(=O)CCOCCCO 34a_200000747469_100000230001 [0,2,0,0,0,0|2,0,0]=4 16398 B11R0.42 CN(C)C(=O)CCSCCCF 62a_100000737620_100011934791 [0,2,0,0,0,0|2,0,0]=4 16399 B11R0.42 CN(C)C(=O)CCSCCCF 62a_100011934791_100000737620 [0,2,0,0,0,0|2,0,0]=4 16400 B11R0.42 CN(C)C(=O)CCSCCCO 62a_100000737620_100011215043 [0,2,0,0,0,0|2,0,0]=4 16401 B11R0.42 CN(C)C(=O)CCSCCCO 62a_100011215043_100000737620 [0,2,0,0,0,0|2,0,0]=4 16402 B11R0.42 CN(C)C(=O)CNCCCCF 2230a_100015183351_100000729493 [0,2,0,0,0,0|2,0,0]=4 16403 B11R0.42 CN(C)C(=O)CNCCCCO 2230a_100000750430_100000185267 [0,2,0,0,0,0|2,0,0]=4 16404 B11R0.42 CN(C)C(=O)CNCCCCO 2230a_100015183351_100000210776 [0,2,0,0,0,0|2,0,0]=4 16405 B11R0.42 CN(C)C(=O)CNCCCCO 34a_100000750430_100000692301 [0,2,0,0,0,0|2,0,0]=4 16406 B11R0.42 CN(C)C(=O)COCCCCBr 34a_100011216708_100000692301 [0,2,0,0,0,0|2,0,0]=4 16407 B11R0.42 CN(C)C(=O)COCCCCCl 34a_100000210776_100000692301 [0,2,0,0,0,0|2,0,0]=4 16408 B11R0.42 CN(C)C(=O)COCCCCCl 7a_100000210776_100000692301 [0,2,0,0,0,0|2,0,0]=4 16409 B11R0.42 CN(C)C(=O)COCCCCF 34a_100011995726_100000692301 [0,2,0,0,0,0|2,0,0]=4 16410 B11R0.42 CN(C)C(=O)COCCCCF 7a_100011995726_100000692301 [0,2,0,0,0,0|2,0,0]=4 16411 B11R0.42 CN(C)C(=O)COCCCCI 34a_200012148704_100000692301 [0,2,0,0,0,0|2,0,0]=4 16412 B11R0.42 CN(C)C(=O)COCCCCN 34a_100000750430_100000692301 [0,2,0,0,0,0|2,0,0]=4 16413 B11R0.42 CN(C)C(=O)CSCCCCF 62a_100000692301_100000729493 [0,2,0,0,0,0|2,0,0]=4 16414 B11R0.42 CN(C)C(=O)CSCCCCF 62a_100000729493_100000692301 [0,2,0,0,0,0|2,0,0]=4 16415 B11R0.42 CN(C)C(=O)CSCCCCO 62a_100000210776_100000692301 [0,2,0,0,0,0|2,0,0]=4 16416 B11R0.42 CN(C)C(=O)CSCCCCO 62a_100000692301_100000210776 [0,2,0,0,0,0|2,0,0]=4 16417 B11R0.42 CNCCCOCC(=O)C(=O)C 34a_100000213112_100011261029 [0,2,0,0,0,0|1,0,1]=4 16418 B11R0.42 CNCCCOCC(=O)C(C)C 34a_100000213112_100000753385 [0,2,0,0,0,0|1,0,0]=3 16419 B11R0.42 CNCCCOCC(=O)N(C)C 34a_100000213112_100000692301 [0,2,0,0,0,0|2,0,0]=4 16420 B11R0.42 COCCCCCC(=O)C(C)C 1458a_100011935119_100000210206 [0,2,0,0,0,0|0,0,0]=2 16421 B11R0.42 COCCCCCC(=O)N(C)C 11a_100102631434_100011935119 [0,2,0,0,0,0|1,0,0]=3 16422 B11R0.42 COCCCCCC(=O)N(C)C 1626a_100102631434_100011935119 [0,2,0,0,0,0|1,0,0]=3 16423 B11R0.42 COCCCCCC(=O)N(C)C 240690a_100102631434_100011935119 [0,2,0,0,0,0|1,0,0]=3 16424 B11R0.42 COCCCCCC(=O)N(C)C 527a_100102631434_100011935119 [0,2,0,0,0,0|1,0,0]=3 16425 B11R0.42 COCCCNCC(=O)C(=O)C 34a_100150723488_100011261029 [0,2,0,0,0,0|1,0,1]=4 16426 B11R0.42 COCCCNCC(=O)C(C)C 34a_100150723488_100000753385 [0,2,0,0,0,0|1,0,0]=3 16427 B11R0.42 COCCCNCC(=O)N(C)C 2230a_100015183351_100000740836 [0,2,0,0,0,0|2,0,0]=4 16428 B11R0.42 COCCCNCC(=O)N(C)C 34a_100150723488_100000692301 [0,2,0,0,0,0|2,0,0]=4 16429 B11R0.42 COCCCNNC(=O)C(C)C 22a_100025702787_100000210198 [0,2,0,0,0,0|2,0,0]=4 16430 B11R0.42 COCCCNNC(=O)C(C)F 22a_100025702787_100000062450 [0,2,0,0,0,0|2,0,0]=4 16431 B11R0.42 COCCCNNC(=O)[C@@H](C)O 22a_100025702787_100000717761 [0,2,0,0,0,0|2,0,0]=4 16432 B11R0.42 COCCCNNC(=O)[C@H](C)O 22a_100025702787_217856618621 [0,2,0,0,0,0|2,0,0]=4 16433 B11R0.42 COCCCOCC(=O)C(=O)C 34a_100000740835_100011261029 [0,2,0,0,0,0|1,0,1]=4 16434 B11R0.42 COCCCOCC(=O)C(C)C 34a_100000740835_100000753385 [0,2,0,0,0,0|1,0,0]=3 16435 B11R0.42 COCCCOCC(=O)N(C)C 34a_100000740835_100000692301 [0,2,0,0,0,0|2,0,0]=4 16436 B11R0.42 COCCCSCC(=O)C(=O)C 62a_100000709357_100011261029 [0,2,0,0,0,0|1,0,1]=4 16437 B11R0.42 COCCCSCC(=O)C(=O)C 62a_100011261029_100000709357 [0,2,0,0,0,0|1,0,1]=4 16438 B11R0.42 COCCCSCC(=O)C(C)C 62a_100000709357_100000753385 [0,2,0,0,0,0|1,0,0]=3 16439 B11R0.42 COCCCSCC(=O)C(C)C 62a_100000753385_100000709357 [0,2,0,0,0,0|1,0,0]=3 16440 B11R0.42 COCCCSCC(=O)N(C)C 62a_100000692301_100000709357 [0,2,0,0,0,0|2,0,0]=4 16441 B11R0.42 COCCCSCC(=O)N(C)C 62a_100000709357_100000692301 [0,2,0,0,0,0|2,0,0]=4 16442 B11R0.42 COCCNCCC(=O)N(C)C 2230a_100000209980_100000737620 [0,2,0,0,0,0|2,0,0]=4 16443 B11R0.42 COCCNCCC(=O)N(C)C 2230a_100000738053_100011201679 [0,2,0,0,0,0|2,0,0]=4 16444 B11R0.42 COCCOCCC(=O)C(C)C 1458a_100000210198_100000695917 [0,2,0,0,0,0|1,0,0]=3 16445 B11R0.42 COCCOCCC(=O)C(C)C 1458a_100000745395_100000210206 [0,2,0,0,0,0|1,0,0]=3 16446 B11R0.42 COCCOCCC(=O)C(C)F 1458a_100000062450_100000695917 [0,2,0,0,0,0|1,0,0]=3 16447 B11R0.42 COCCOCCC(=O)C(O)O 1458a_100000233687_100000695917 [0,2,0,0,0,0|2,0,0]=4 16448 B11R0.42 COCCOCCC(=O)N(C)C 11a_100102631434_100000745395 [0,2,0,0,0,0|2,0,0]=4 16449 B11R0.42 COCCOCCC(=O)N(C)C 1626a_100102631434_100000745395 [0,2,0,0,0,0|2,0,0]=4 16450 B11R0.42 COCCOCCC(=O)N(C)C 240690a_100102631434_100000745395 [0,2,0,0,0,0|2,0,0]=4 16451 B11R0.42 COCCOCCC(=O)N(C)C 34a_200000747469_100011201679 [0,2,0,0,0,0|2,0,0]=4 16452 B11R0.42 COCCOCCC(=O)N(C)C 527a_100102631434_100000745395 [0,2,0,0,0,0|2,0,0]=4 16453 B11R0.42 COCCOCCC(=O)[C@@H](C)O 1458a_100000717761_100000695917 [0,2,0,0,0,0|1,0,0]=3 16454 B11R0.42 COCCOCCC(=O)[C@H](C)O 1458a_217856618621_100000695917 [0,2,0,0,0,0|1,0,0]=3 16455 B11R0.42 COCCSCCC(=O)N(C)C 62a_100000233755_100000737620 [0,2,0,0,0,0|2,0,0]=4 16456 B11R0.42 COCCSCCC(=O)N(C)C 62a_100000737620_100000233755 [0,2,0,0,0,0|2,0,0]=4 16457 B11R0.42 COCCSCOC(=O)C(C)C 62a_100000139345_100000233755 [0,2,0,0,0,0|2,0,0]=4 16458 B11R0.42 COCCSCOC(=O)C(C)C 62a_100000233755_100000139345 [0,2,0,0,0,0|2,0,0]=4 16459 B11R0.42 COCNCCCC(=O)N(C)C 2230a_200000744827_100000766300 [0,2,0,0,0,0|2,0,0]=4 16460 B11R0.42 COCNCCNC(=O)C(C)C 2230a_100000752568_100000766300 [0,2,0,0,0,0|2,0,0]=4 16461 B11R0.42 COCSCCCC(=O)N(C)C 62a_100000737642_100000766300 [0,2,0,0,0,0|2,0,0]=4 16462 B11R0.42 COCSCCCC(=O)N(C)C 62a_100000766300_100000737642 [0,2,0,0,0,0|2,0,0]=4 16463 B11R0.42 CSCCCNCC(=O)C(C)C 2230a_100000749238_100000753385 [0,2,0,0,0,0|1,0,0]=3 16464 B11R0.42 CSCCCNCC(=O)N(C)C 2230a_100000749238_100000185267 [0,2,0,0,0,0|2,0,0]=4 16465 B11R0.42 CSCCCOCC(=O)C(=O)C 34a_100000690336_100011261029 [0,2,0,0,0,0|1,0,1]=4 16466 B11R0.42 CSCCCOCC(=O)C(C)C 34a_100000690336_100000753385 [0,2,0,0,0,0|1,0,0]=3 16467 B11R0.42 CSCCCOCC(=O)C(C)C 7a_100000690336_100000753385 [0,2,0,0,0,0|1,0,0]=3 16468 B11R0.42 CSCCCOCC(=O)N(C)C 34a_100000690336_100000692301 [0,2,0,0,0,0|2,0,0]=4 16469 B11R0.42 CSCCCOCC(=O)N(C)C 7a_100000690336_100000692301 [0,2,0,0,0,0|2,0,0]=4 16470 B11R0.42 CSCCNCCC(=O)N(C)C 2230a_100000738053_100000751147 [0,2,0,0,0,0|2,0,0]=4 16471 B11R0.42 CSCCNCCC(=O)N(C)C 2230a_100020590264_100000737620 [0,2,0,0,0,0|2,0,0]=4 16472 B11R0.42 CSCCOCCC(=O)N(C)C 34a_200000747469_100000212216 [0,2,0,0,0,0|2,0,0]=4 16473 B11R0.42 CSCCOCCC(=O)N(C)C 7a_100000230434_100000737620 [0,2,0,0,0,0|2,0,0]=4 16474 B11R0.42 CSCCSCCC(=O)N(C)C 62a_100000212216_100000737620 [0,2,0,0,0,0|2,0,0]=4 16475 B11R0.42 CSCCSCCC(=O)N(C)C 62a_100000737620_100000751147 [0,2,0,0,0,0|2,0,0]=4 16476 B11R0.42 CSCCSCOC(=O)C(C)C 62a_100000139345_100000751147 [0,2,0,0,0,0|2,0,0]=4 16477 B11R0.42 CSCCSCOC(=O)C(C)C 62a_100000212216_100000139345 [0,2,0,0,0,0|2,0,0]=4 16478 B11R0.42 CSCNCCCC(=O)N(C)C 2230a_200000744827_100011218213 [0,2,0,0,0,0|2,0,0]=4 16479 B11R0.42 CSCNCCNC(=O)C(C)C 2230a_100000752568_100011218213 [0,2,0,0,0,0|2,0,0]=4 16480 B11R0.42 CSCNCCNC(=O)C(C)C 34a_100000752568_100011218213 [0,2,0,0,0,0|2,0,0]=4 16481 B11R0.42 CSCSCCCC(=O)N(C)C 62a_100000737642_100011218213 [0,2,0,0,0,0|2,0,0]=4 16482 B11R0.42 CSCSCCCC(=O)N(C)C 62a_100011218213_100000737642 [0,2,0,0,0,0|2,0,0]=4 16483 B11R0.42 C[C@@H](O)C(=O)CCCCCC#N 1458a_100000717761_100009813376 [0,2,0,0,0,0|0,0,1]=3 16484 B11R0.42 C[C@@H](O)C(=O)CCCCCCF 1458a_100000717761_100015922095 [0,2,0,0,0,0|0,0,0]=2 16485 B11R0.42 C[C@@H](O)C(=O)CCCCCCO 1458a_100000717761_100000766143 [0,2,0,0,0,0|0,0,0]=2 16486 B11R0.42 C[C@@H](O)C(=O)NCCCCC#N 240690a_100000751965_100000717761 [0,2,0,0,0,0|1,0,1]=4 16487 B11R0.42 C[C@@H](O)C(=O)NCCCCCO 240690a_100000762737_100000717761 [0,2,0,0,0,0|1,0,0]=3 16488 B11R0.42 C[C@@H](O)C(=O)NCCOCCO 240690a_100000211614_100000717761 [0,2,0,0,0,0|2,0,0]=4 16489 B11R0.42 C[C@@H](O)C(=O)NCCSCCO 240690a_100011219999_100000717761 [0,2,0,0,0,0|2,0,0]=4 16490 B11R0.42 C[C@H](O)C(=O)CCCCCC#N 1458a_217856618621_100009813376 [0,2,0,0,0,0|0,0,1]=3 16491 B11R0.42 C[C@H](O)C(=O)CCCCCCF 1458a_217856618621_100015922095 [0,2,0,0,0,0|0,0,0]=2 16492 B11R0.42 C[C@H](O)C(=O)CCCCCCO 1458a_217856618621_100000766143 [0,2,0,0,0,0|0,0,0]=2 16493 B11R0.42 C[C@H](O)C(=O)NCCCCC#N 1626a_100000751965_217856618621 [0,2,0,0,0,0|1,0,1]=4 16494 B11R0.42 C[C@H](O)C(=O)NCCCCC#N 240690a_100000751965_217856618621 [0,2,0,0,0,0|1,0,1]=4 16495 B11R0.42 C[C@H](O)C(=O)NCCCCCO 240690a_100000762737_217856618621 [0,2,0,0,0,0|1,0,0]=3 16496 B11R0.42 C[C@H](O)C(=O)NCCOCCO 240690a_100000211614_217856618621 [0,2,0,0,0,0|2,0,0]=4 16497 B11R0.42 C[C@H](O)C(=O)NCCSCCO 240690a_100011219999_217856618621 [0,2,0,0,0,0|2,0,0]=4 16498 B11R0.42 N#CCCCCCC(=O)C(O)O 1458a_100000233687_100009813376 [0,2,0,0,0,0|1,0,1]=4 16499 B11R0.42 O=C(CCCCCCF)C(O)O 1458a_100000233687_100015922095 [0,2,0,0,0,0|1,0,0]=3 16500 B11R0.42 O=C(CCCCCCO)C(O)O 1458a_100000233687_100000766143 [0,2,0,0,0,0|1,0,0]=3 16501 B11R0.42 O=C(NCCCCCO)C(F)F 240690a_100000762737_100000210393 [0,2,0,0,0,0|2,0,0]=4 16502 B11R0.42 O=C(NCCCCCO)C(O)O 240690a_100000762737_100000233687 [0,2,0,0,0,0|2,0,0]=4 16503 B11R0.70 C=CCCC(C)OCC(=O)CC 7a_100000765329_100000747405 [0,2,0,0,0,0|0,0,2]=4 16504 B11R0.70 CCC#CC(C)OCC(=O)CC 7a_100000033903_100000747405 [0,2,0,0,0,0|0,0,2]=4 16505 B11R0.70 CCC(=O)CCN(C)CCOC 1458a_200103286627_100000210202 [0,2,0,0,0,0|1,0,0]=3 16506 B11R0.70 CCC(=O)COC(C)CCCCl 7a_200000718107_100000747405 [0,2,0,0,0,0|1,0,0]=3 16507 B11R0.70 CCC(=O)NCC(=O)CCCF 1458a_100000194589_100011934791 [0,2,0,0,0,0|1,0,1]=4 16508 B11R0.70 CCC(=O)NCC(=O)CCCO 1458a_100000194589_100011215043 [0,2,0,0,0,0|1,0,1]=4 16509 B11R0.70 CCC(=O)NCC(=O)CCOC 1458a_100000194589_100000233755 [0,2,0,0,0,0|1,0,1]=4 16510 B11R0.70 CCC(=O)NCC(=O)CCSC 1458a_100000194589_100000751147 [0,2,0,0,0,0|1,0,1]=4 16511 B11R0.70 CCC(=O)NC[C@H](C)CCCO 240690a_100160569302_100000210414 [0,2,0,0,0,0|1,0,0]=3 16512 B11R0.70 CCC(=O)NC[C@H](C)CCCO 527a_100160569302_100000210414 [0,2,0,0,0,0|1,0,0]=3 16513 B11R0.70 CCCCC(=NNC(=O)CC)C 4a_100000183195_100000210087 [0,2,0,0,0,0|1,0,1]=4 16514 B11R0.70 CCCCC(=O)CCC(=O)NC 1458a_100011309844_100000210211 [0,2,0,0,0,0|1,0,0]=3 16515 B11R0.70 CCCCC(=O)CCC(=O)OC 1458a_100000187943_100000210211 [0,2,0,0,0,0|1,0,0]=3 16516 B11R0.70 CCCCC(=O)CCC(C)CC 1458a_100000701222_100000210211 [0,2,0,0,0,0|1,0,1]=4 16517 B11R0.70 CCCCC(=O)CCN(C)CC 1458a_100000755305_100000210211 [0,2,0,0,0,0|2,0,0]=4 16518 B11R0.70 CCCCC(=O)CCS(=O)CC 1458a_100011387550_100000210211 [0,2,0,0,0,0|1,0,0]=3 16519 B11R0.70 CCCCC(=O)CNC(=O)CC 1458a_100000194589_100000210211 [0,2,0,0,0,0|0,0,1]=3 16520 B11R0.70 CCCCC(=O)CNC(=O)OC 1458a_100000215747_100000210211 [0,2,0,0,0,0|1,0,1]=4 16521 B11R0.70 CCCCC(=O)NCC(=O)NC 11a_100000693194_100000210183 [0,2,0,0,0,0|1,0,1]=4 16522 B11R0.70 CCCCC(=O)NCC(=O)NC 240690a_100000693194_100000210183 [0,2,0,0,0,0|1,0,1]=4 16523 B11R0.70 CCCCC(=O)NCC(=O)NC 527a_100000693194_100000210183 [0,2,0,0,0,0|1,0,1]=4 16524 B11R0.70 CCCCC(=O)NCC(=O)OC 188690a_100000185156_100000210183 [0,2,0,0,0,0|1,0,1]=4 16525 B11R0.70 CCCCC(=O)NNC(=O)CC 22a_100000183195_100000210183 [0,2,0,0,0,0|1,0,1]=4 16526 B11R0.70 CCCCC(=O)NNC(=O)CC 22a_100000189769_100000210414 [0,2,0,0,0,0|1,0,1]=4 16527 B11R0.70 CCCCC(C)CCC(=O)CC 1458a_100000033779_100000210202 [0,2,0,0,0,0|0,0,0]=2 16528 B11R0.70 CCCCC(C)CCC(=O)CF 1458a_100000033779_100015361967 [0,2,0,0,0,0|1,0,0]=3 16529 B11R0.70 CCCCC(C)CCC(=O)NC 11a_106832991635_100000033779 [0,2,0,0,0,0|1,0,0]=3 16530 B11R0.70 CCCCC(C)CCC(=O)NC 1626a_100102657272_100000033779 [0,2,0,0,0,0|1,0,0]=3 16531 B11R0.70 CCCCC(C)CCC(=O)NC 240690a_100102657272_100000033779 [0,2,0,0,0,0|1,0,0]=3 16532 B11R0.70 CCCCC(C)CCC(=O)NC 527a_100102657272_100000033779 [0,2,0,0,0,0|1,0,0]=3 16533 B11R0.70 CCCCC(C)COC(C)CC 34a_100011995851_100011215416 [0,2,0,0,0,0|1,0,1]=4 16534 B11R0.70 CCCCC(C)COC(C)CC 7a_100011995851_100000758301 [0,2,0,0,0,0|1,0,1]=4 16535 B11R0.70 CCCCC(C)NCC(=O)NC 2230a_100000126638_100000183359 [0,2,0,0,0,0|1,0,0]=3 16536 B11R0.70 CCCCC(C)NCC(=O)NC 2230a_100000693194_200011215066 [0,2,0,0,0,0|1,0,0]=3 16537 B11R0.70 CCCCC(C)NCC(=O)NC 270004a_100000693194_100000210087 [0,2,0,0,0,0|1,0,0]=3 16538 B11R0.70 CCCCC(C)NCC(=O)OC 2230a_100000126638_100000747449 [0,2,0,0,0,0|1,0,0]=3 16539 B11R0.70 CCCCC(C)NCC(C)CC 2230a_100000126638_100000748023 [0,2,0,0,0,0|1,0,1]=4 16540 B11R0.70 CCCCC(C)NCC(C)CC 2230a_100020588543_200011215066 [0,2,0,0,0,0|1,0,1]=4 16541 B11R0.70 CCCCC(C)NCC(C)CC 270004a_100000126638_100000243153 [0,2,0,0,0,0|1,0,1]=4 16542 B11R0.70 CCCCC(C)NCC(C)CC 270004a_100020588543_100000210087 [0,2,0,0,0,0|1,0,1]=4 16543 B11R0.70 CCCCC(C)NCC(O)CC 2230a_100000126638_100011218378 [0,2,0,0,0,0|0,0,2]=4 16544 B11R0.70 CCCCC(C)NCC(O)CC 2230a_100011218483_200011215066 [0,2,0,0,0,0|0,0,2]=4 16545 B11R0.70 CCCCC(C)NCC(O)CC 270004a_100011218483_100000210087 [0,2,0,0,0,0|0,0,2]=4 16546 B11R0.70 CCCCC(C)NC[C@@H](C)CC 2230a_100000126638_100009816398 [0,2,0,0,0,0|1,0,1]=4 16547 B11R0.70 CCCCC(C)OCC(=O)CC 34a_100000725409_200011215066 [0,2,0,0,0,0|0,0,0]=2 16548 B11R0.70 CCCCC(C)OCC(=O)CC 7a_100000687866_100000747405 [0,2,0,0,0,0|0,0,0]=2 16549 B11R0.70 CCCCC(C)OCC(=O)NC 34a_100000687866_100000183359 [0,2,0,0,0,0|1,0,0]=3 16550 B11R0.70 CCCCC(C)OCC(=O)NC 34a_100000750040_200011215066 [0,2,0,0,0,0|1,0,0]=3 16551 B11R0.70 CCCCC(C)OCC(=O)NC 7a_100000687866_100000183359 [0,2,0,0,0,0|1,0,0]=3 16552 B11R0.70 CCCCC(C)OCC(=O)OC 34a_100000687866_100000747449 [0,2,0,0,0,0|1,0,0]=3 16553 B11R0.70 CCCCC(C)OCC(=O)OC 7a_100000687866_100000747449 [0,2,0,0,0,0|1,0,0]=3 16554 B11R0.70 CCCCC(C)OCC(C)CC 34a_100000687866_100000748023 [0,2,0,0,0,0|1,0,1]=4 16555 B11R0.70 CCCCC(C)OCC(C)CC 7a_100000687866_100000748023 [0,2,0,0,0,0|1,0,1]=4 16556 B11R0.70 CCCCC(C)OCC(O)CC 34a_100000687866_100011218378 [0,2,0,0,0,0|0,0,2]=4 16557 B11R0.70 CCCCC(C)OCC(O)CC 7a_100000687866_100011218378 [0,2,0,0,0,0|0,0,2]=4 16558 B11R0.70 CCCCC(C)OC[C@@H](C)CC 34a_100000687866_100009816398 [0,2,0,0,0,0|1,0,1]=4 16559 B11R0.70 CCCCC(C)OC[C@@H](C)CC 7a_100000687866_100009816398 [0,2,0,0,0,0|1,0,1]=4 16560 B11R0.70 CCCCC(C)OC[C@@H](C)CC 7a_100009816381_200011215066 [0,2,0,0,0,0|1,0,1]=4 16561 B11R0.70 CCCCC(C)SCC(=O)CC 62a_100000747405_200011215066 [0,2,0,0,0,0|0,0,0]=2 16562 B11R0.70 CCCCC(C)SCC(=O)CC 62a_200011215066_100000747405 [0,2,0,0,0,0|0,0,0]=2 16563 B11R0.70 CCCCC(C)SCC(=O)NC 62a_100000183359_200011215066 [0,2,0,0,0,0|1,0,0]=3 16564 B11R0.70 CCCCC(C)SCC(=O)NC 62a_200011215066_100000183359 [0,2,0,0,0,0|1,0,0]=3 16565 B11R0.70 CCCCC(C)SCC(=O)OC 62a_100000747449_200011215066 [0,2,0,0,0,0|1,0,0]=3 16566 B11R0.70 CCCCC(C)SCC(=O)OC 62a_200011215066_100000747449 [0,2,0,0,0,0|1,0,0]=3 16567 B11R0.70 CCCCC(C)SCC(C)CC 62a_100000748023_200011215066 [0,2,0,0,0,0|1,0,1]=4 16568 B11R0.70 CCCCC(C)SCC(C)CC 62a_200011215066_100000748023 [0,2,0,0,0,0|1,0,1]=4 16569 B11R0.70 CCCCC(C)SCC(O)CC 62a_100011218378_200011215066 [0,2,0,0,0,0|0,0,2]=4 16570 B11R0.70 CCCCC(C)SCC(O)CC 62a_200011215066_100011218378 [0,2,0,0,0,0|0,0,2]=4 16571 B11R0.70 CCCCC(C)SC[C@@H](C)CC 62a_100009816398_200011215066 [0,2,0,0,0,0|1,0,1]=4 16572 B11R0.70 CCCCC(C)SC[C@@H](C)CC 62a_200011215066_100009816398 [0,2,0,0,0,0|1,0,1]=4 16573 B11R0.70 CCCCN(C)CCC(=O)NC 2230a_100000207549_100000737683 [0,2,0,0,0,0|1,0,0]=3 16574 B11R0.70 CCCCN(C)CCC(=O)NC 2230a_100000750875_100000210211 [0,2,0,0,0,0|1,0,0]=3 16575 B11R0.70 CCCCN(C)CCC(=O)NC 269982a_100000207549_100000737683 [0,2,0,0,0,0|1,0,0]=3 16576 B11R0.70 CCCCN(C)CCC(=O)NC 269982a_100000750875_100000210211 [0,2,0,0,0,0|1,0,0]=3 16577 B11R0.70 CCCCN(C)CCC(=O)OC 2230a_100000207549_100000204255 [0,2,0,0,0,0|1,0,0]=3 16578 B11R0.70 CCCCN(C)CCC(=O)OC 269982a_100000207549_100000204255 [0,2,0,0,0,0|1,0,0]=3 16579 B11R0.70 CCCCN(C)CCC(=O)OC 269982a_100025711912_100000210211 [0,2,0,0,0,0|1,0,0]=3 16580 B11R0.70 CCCC[C@H](N)COC(C)CC 34a_100011934283_100011215416 [0,2,0,0,0,0|1,0,1]=4 16581 B11R0.70 CCCNC(=O)CCC(=O)CC 1458a_100000199543_100000210202 [0,2,0,0,0,0|0,0,1]=3 16582 B11R0.70 CCCNC(=O)CCC(=O)CF 1458a_100000199543_100015361967 [0,2,0,0,0,0|1,0,1]=4 16583 B11R0.70 CCCNC(=O)CCC(=O)NC 11a_100020643023_100011309844 [0,2,0,0,0,0|1,0,1]=4 16584 B11R0.70 CCCNC(=O)CCC(=O)NC 11a_106832991635_100000199543 [0,2,0,0,0,0|1,0,1]=4 16585 B11R0.70 CCCNC(=O)CCC(=O)NC 1626a_100020643023_100011309844 [0,2,0,0,0,0|1,0,1]=4 16586 B11R0.70 CCCNC(=O)CCC(=O)NC 1626a_100102657272_100000199543 [0,2,0,0,0,0|1,0,1]=4 16587 B11R0.70 CCCNC(=O)CCC(=O)NC 240690a_100020643023_100011309844 [0,2,0,0,0,0|1,0,1]=4 16588 B11R0.70 CCCNC(=O)CCC(=O)NC 240690a_100102657272_100000199543 [0,2,0,0,0,0|1,0,1]=4 16589 B11R0.70 CCCNC(=O)CCC(=O)NC 527a_100020643023_100011309844 [0,2,0,0,0,0|1,0,1]=4 16590 B11R0.70 CCCNC(=O)CCC(=O)NC 527a_100102657272_100000199543 [0,2,0,0,0,0|1,0,1]=4 16591 B11R0.70 CCCNC(=O)CCC(=O)OC 11a_100020643023_100000187943 [0,2,0,0,0,0|1,0,1]=4 16592 B11R0.70 CCCNC(=O)CCC(=O)OC 1626a_100020643023_100000187943 [0,2,0,0,0,0|1,0,1]=4 16593 B11R0.70 CCCNC(=O)CCC(=O)OC 240690a_100020643023_100000187943 [0,2,0,0,0,0|1,0,1]=4 16594 B11R0.70 CCCNC(=O)CCC(=O)OC 527a_100020643023_100000187943 [0,2,0,0,0,0|1,0,1]=4 16595 B11R0.70 CCCNC(=O)CCS(=O)CC 11a_100020643023_100011387550 [0,2,0,0,0,0|1,0,1]=4 16596 B11R0.70 CCCNC(=O)CCS(=O)CC 1626a_100020643023_100011387550 [0,2,0,0,0,0|1,0,1]=4 16597 B11R0.70 CCCNC(=O)CCS(=O)CC 240690a_100020643023_100011387550 [0,2,0,0,0,0|1,0,1]=4 16598 B11R0.70 CCCNC(=O)CCS(=O)CC 527a_100020643023_100011387550 [0,2,0,0,0,0|1,0,1]=4 16599 B11R0.70 CCCNC(=O)CNC(=O)CC 11a_100000174927_100000210414 [0,2,0,0,0,0|1,0,1]=4 16600 B11R0.70 CCCNC(=O)CNC(=O)CC 11a_100020643023_100000194589 [0,2,0,0,0,0|1,0,1]=4 16601 B11R0.70 CCCNC(=O)CNC(=O)CC 1626a_100000174927_100000210414 [0,2,0,0,0,0|1,0,1]=4 16602 B11R0.70 CCCNC(=O)CNC(=O)CC 1626a_100020643023_100000194589 [0,2,0,0,0,0|1,0,1]=4 16603 B11R0.70 CCCNC(=O)CNC(=O)CC 240690a_100000174927_100000210414 [0,2,0,0,0,0|1,0,1]=4 16604 B11R0.70 CCCNC(=O)CNC(=O)CC 240690a_100020643023_100000194589 [0,2,0,0,0,0|1,0,1]=4 16605 B11R0.70 CCCNC(=O)CNC(=O)CC 527a_100000174927_100000210414 [0,2,0,0,0,0|1,0,1]=4 16606 B11R0.70 CCCNC(=O)CNC(=O)CC 527a_100020643023_100000194589 [0,2,0,0,0,0|1,0,1]=4 16607 B11R0.70 CCCOC(=O)OCC(=O)CC 1458a_100000210414_200000139673 [0,2,0,0,0,0|1,0,1]=4 16608 B11R0.70 CCCOC(C)CCC(C)CC 7a_200011216552_100000210303 [0,2,0,0,0,0|1,0,1]=4 16609 B11R0.70 CCCOC(C)CNC(=O)CC 11a_100015185124_100000210414 [0,2,0,0,0,0|1,0,0]=3 16610 B11R0.70 CCCOC(C)CNC(=O)CC 1626a_100015185124_100000210414 [0,2,0,0,0,0|1,0,0]=3 16611 B11R0.70 CCCOC(C)CNC(=O)CC 240690a_100015185124_100000210414 [0,2,0,0,0,0|1,0,0]=3 16612 B11R0.70 CCCOC(C)CNC(=O)CC 527a_100015185124_100000210414 [0,2,0,0,0,0|1,0,0]=3 16613 B11R0.70 CCCOC(C)CNC(=O)CO 240690a_100015185124_100000210174 [0,2,0,0,0,0|2,0,0]=4 16614 B11R0.70 CCCOC(C)CNC(=O)CO 527a_100015185124_100000210174 [0,2,0,0,0,0|2,0,0]=4 16615 B11R0.70 CCCOC(C)CNC(=O)NC 2708a_100015185124_106832991635 [0,2,0,0,0,0|2,0,0]=4 16616 B11R0.70 CCCOC(C)CNC(=O)NC 2708a_100102657272_100015185124 [0,2,0,0,0,0|2,0,0]=4 16617 B11R0.70 CCCOC(C)CNC(=O)NC 273464a_100015185124_100102657272 [0,2,0,0,0,0|2,0,0]=4 16618 B11R0.70 CCCOC(C)CNC(=O)NC 273464a_100102657272_100015185124 [0,2,0,0,0,0|2,0,0]=4 16619 B11R0.70 CCCOC(C)CNC(=O)NC 512a_100015185124_100102657272 [0,2,0,0,0,0|2,0,0]=4 16620 B11R0.70 CCCOC(C)CNC(=O)NC 512a_106832991638_100015185124 [0,2,0,0,0,0|2,0,0]=4 16621 B11R0.70 CCNCC(=O)CCC(=O)OC 2230a_100015525214_100000691467 [0,2,0,0,0,0|1,0,1]=4 16622 B11R0.70 CCOCC(=O)CCC(=O)OC 34a_100121572206_100000691467 [0,2,0,0,0,0|1,0,1]=4 16623 B11R0.70 CCOCC(C)OCC(=O)CC 7a_100000718985_100000747405 [0,2,0,0,0,0|1,0,0]=3 16624 B11R0.70 CCOCC(C)OCC(=O)NC 34a_100000718985_100000183359 [0,2,0,0,0,0|2,0,0]=4 16625 B11R0.70 CCOCC(C)OCC(=O)NC 7a_100000718985_100000183359 [0,2,0,0,0,0|2,0,0]=4 16626 B11R0.70 CCOCC(C)OCC(=O)OC 34a_100000718985_100000747449 [0,2,0,0,0,0|2,0,0]=4 16627 B11R0.70 CCOCC(C)OCC(=O)OC 7a_100000718985_100000747449 [0,2,0,0,0,0|2,0,0]=4 16628 B11R0.70 CCOCC(O)CNC(=O)CC 240690a_102515437182_100000210414 [0,2,0,0,0,0|1,0,0]=3 16629 B11R0.70 CCOCC(O)CNC(=O)CC 527a_102515437182_100000210414 [0,2,0,0,0,0|1,0,0]=3 16630 B11R0.70 CCOCC(O)CNC(=O)CO 240690a_102515437182_100000210174 [0,2,0,0,0,0|2,0,0]=4 16631 B11R0.70 CCOCC(O)CNC(=O)CO 527a_102515437182_100000210174 [0,2,0,0,0,0|2,0,0]=4 16632 B11R0.70 CCOCC(O)CNC(=O)NC 2708a_100102657272_102515437182 [0,2,0,0,0,0|2,0,0]=4 16633 B11R0.70 CCOCC(O)CNC(=O)NC 273464a_100102657272_102515437182 [0,2,0,0,0,0|2,0,0]=4 16634 B11R0.70 CCOCC(O)CNC(=O)NC 273464a_102515437182_100102657272 [0,2,0,0,0,0|2,0,0]=4 16635 B11R0.70 CCOCC(O)CNC(=O)NC 512a_102515437182_100102657272 [0,2,0,0,0,0|2,0,0]=4 16636 B11R0.70 CCOCN(C)CCC(=O)NC 269982a_100000750875_100000739092 [0,2,0,0,0,0|2,0,0]=4 16637 B11R0.70 CCOCN(C)CCC(=O)OC 269982a_100025711912_100000739092 [0,2,0,0,0,0|2,0,0]=4 16638 B11R0.70 CCS(=O)CCC(=O)CCCF 1458a_100011387550_100011934791 [0,2,0,0,0,0|1,0,1]=4 16639 B11R0.70 CCS(=O)CCC(=O)CCCO 1458a_100011387550_100011215043 [0,2,0,0,0,0|1,0,1]=4 16640 B11R0.70 CCS(=O)CCC(=O)CCOC 1458a_100011387550_100000233755 [0,2,0,0,0,0|1,0,1]=4 16641 B11R0.70 CCS(=O)CCC(=O)CCSC 1458a_100011387550_100000751147 [0,2,0,0,0,0|1,0,1]=4 16642 B11R0.70 CCSCC(=O)CCC(=O)OC 62a_100000210202_100000691467 [0,2,0,0,0,0|1,0,1]=4 16643 B11R0.70 CCSCC(=O)CCC(=O)OC 62a_100000691467_100000210202 [0,2,0,0,0,0|1,0,1]=4 16644 B11R0.70 CCSCC(C)NCC(=O)NC 270004a_100000693194_200011216171 [0,2,0,0,0,0|2,0,0]=4 16645 B11R0.70 CNC(=O)CCC(=O)CCCF 1458a_100011309844_100011934791 [0,2,0,0,0,0|1,0,1]=4 16646 B11R0.70 CNC(=O)CCC(=O)CCCO 1458a_100011309844_100011215043 [0,2,0,0,0,0|1,0,1]=4 16647 B11R0.70 CNC(=O)CCC(=O)CCOC 1458a_100011309844_100000233755 [0,2,0,0,0,0|1,0,1]=4 16648 B11R0.70 CNC(=O)CCC(=O)CCSC 1458a_100011309844_100000751147 [0,2,0,0,0,0|1,0,1]=4 16649 B11R0.70 CNC(=O)CCN(C)CCCF 2230a_100000750875_100011934791 [0,2,0,0,0,0|2,0,0]=4 16650 B11R0.70 CNC(=O)CCN(C)CCCF 269982a_100000750875_100011934791 [0,2,0,0,0,0|2,0,0]=4 16651 B11R0.70 CNC(=O)CCN(C)CCCO 2230a_100000213112_100000737683 [0,2,0,0,0,0|2,0,0]=4 16652 B11R0.70 CNC(=O)CCN(C)CCCO 2230a_100000750875_100000230001 [0,2,0,0,0,0|2,0,0]=4 16653 B11R0.70 CNC(=O)CCN(C)CCCO 269982a_100000213112_100000737683 [0,2,0,0,0,0|2,0,0]=4 16654 B11R0.70 CNC(=O)CCN(C)CCCO 269982a_100000750875_100011215043 [0,2,0,0,0,0|2,0,0]=4 16655 B11R0.70 CNC(=O)CCN(C)CCOC 2230a_100000743101_100000737683 [0,2,0,0,0,0|2,0,0]=4 16656 B11R0.70 CNC(=O)CCN(C)CCOC 2230a_100000750875_100011201679 [0,2,0,0,0,0|2,0,0]=4 16657 B11R0.70 CNC(=O)CCN(C)CCOC 240690a_100102657272_200103286627 [0,2,0,0,0,0|2,0,0]=4 16658 B11R0.70 CNC(=O)CCN(C)CCOC 269982a_100000743101_100000737683 [0,2,0,0,0,0|2,0,0]=4 16659 B11R0.70 CNC(=O)CCN(C)CCOC 269982a_100000750875_100000233755 [0,2,0,0,0,0|2,0,0]=4 16660 B11R0.70 CNC(=O)CCN(C)CCSC 2230a_100000686725_100000737683 [0,2,0,0,0,0|2,0,0]=4 16661 B11R0.70 CNC(=O)CCN(C)CCSC 2230a_100000750875_100000751147 [0,2,0,0,0,0|2,0,0]=4 16662 B11R0.70 CNC(=O)CCN(C)CCSC 269982a_100000686725_100000737683 [0,2,0,0,0,0|2,0,0]=4 16663 B11R0.70 CNC(=O)CCN(C)CCSC 269982a_100000750875_100000212216 [0,2,0,0,0,0|2,0,0]=4 16664 B11R0.70 CNC(=O)CNC(C)CCOC 270004a_100000693194_100000742357 [0,2,0,0,0,0|2,0,0]=4 16665 B11R0.70 CNC(=O)CNC(C)CCSC 270004a_100000693194_100011217047 [0,2,0,0,0,0|2,0,0]=4 16666 B11R0.70 CNC(=O)COC(C)CCCCl 34a_200000718107_100000183359 [0,2,0,0,0,0|2,0,0]=4 16667 B11R0.70 CNC(=O)COC(C)CCCCl 7a_200000718107_100000183359 [0,2,0,0,0,0|2,0,0]=4 16668 B11R0.70 CNC(=O)NC[C@H](C)CCCO 2708a_100102657272_100160569302 [0,2,0,0,0,0|2,0,0]=4 16669 B11R0.70 CNC(=O)NC[C@H](C)CCCO 273464a_100102657272_100160569302 [0,2,0,0,0,0|2,0,0]=4 16670 B11R0.70 CNC(=O)NC[C@H](C)CCCO 273464a_100160569302_100102657272 [0,2,0,0,0,0|2,0,0]=4 16671 B11R0.70 CNC(=O)NC[C@H](C)CCCO 512a_100160569302_100102657272 [0,2,0,0,0,0|2,0,0]=4 16672 B11R0.70 CNC(=O)NC[C@H](C)CCCO 512a_106832991638_100160569302 [0,2,0,0,0,0|2,0,0]=4 16673 B11R0.70 COC(=O)CCC(=O)CCCF 1458a_100000187943_100011934791 [0,2,0,0,0,0|1,0,1]=4 16674 B11R0.70 COC(=O)CCC(=O)CCCO 1458a_100000187943_100011215043 [0,2,0,0,0,0|1,0,1]=4 16675 B11R0.70 COC(=O)CCC(=O)CCSC 1458a_100000187943_100000751147 [0,2,0,0,0,0|1,0,1]=4 16676 B11R0.70 COC(=O)CCN(C)CCCF 269982a_100025711912_100011934791 [0,2,0,0,0,0|2,0,0]=4 16677 B11R0.70 COC(=O)CCN(C)CCCO 2230a_100000213112_100000204255 [0,2,0,0,0,0|2,0,0]=4 16678 B11R0.70 COC(=O)CCN(C)CCCO 269982a_100000213112_100000204255 [0,2,0,0,0,0|2,0,0]=4 16679 B11R0.70 COC(=O)CCN(C)CCCO 269982a_100025711912_100011215043 [0,2,0,0,0,0|2,0,0]=4 16680 B11R0.70 COC(=O)CCN(C)CCSC 2230a_100000686725_100000204255 [0,2,0,0,0,0|2,0,0]=4 16681 B11R0.70 COC(=O)CCN(C)CCSC 269982a_100000686725_100000204255 [0,2,0,0,0,0|2,0,0]=4 16682 B11R0.70 COC(=O)CCN(C)CCSC 269982a_100025711912_100000212216 [0,2,0,0,0,0|2,0,0]=4 16683 B11R0.70 COC(=O)COC(C)CCCCl 34a_200000718107_100000747449 [0,2,0,0,0,0|2,0,0]=4 16684 B11R0.70 COC(=O)COC(C)CCCCl 7a_200000718107_100000747449 [0,2,0,0,0,0|2,0,0]=4 16685 B11R0.70 COCCC(=O)CCC(=O)OC 1458a_100000187943_100000233755 [0,2,0,0,0,0|1,0,1]=4 16686 B11R0.70 COCCN(C)CCC(=O)CF 1458a_200103286627_100015361967 [0,2,0,0,0,0|2,0,0]=4 16687 B11R0.70 COCCN(C)CCC(=O)OC 2230a_100000743101_100000204255 [0,2,0,0,0,0|2,0,0]=4 16688 B11R0.70 COCCN(C)CCC(=O)OC 269982a_100000743101_100000204255 [0,2,0,0,0,0|2,0,0]=4 16689 B11R0.70 COCCN(C)CCC(=O)OC 269982a_100025711912_100000233755 [0,2,0,0,0,0|2,0,0]=4 16690 B11R0.70 C[C@H](CCCO)CNC(=O)CO 240690a_100160569302_100000210174 [0,2,0,0,0,0|2,0,0]=4 16691 B11R0.70 C[C@H](CCCO)CNC(=O)CO 527a_100160569302_100000210174 [0,2,0,0,0,0|2,0,0]=4 16692 B11R0.111 C#CC(=O)CCCCCC(C)C 1458a_100000211873_100000210682 [0,2,0,0,0,0|0,0,2]=4 16693 B11R0.111 C=C(C)CCNCCC(=O)NC 2230a_100000738227_100000730704 [0,2,0,0,0,0|1,0,1]=4 16694 B11R0.111 C=C(C)CCNCCC(=O)NC 34a_100000738227_100000730704 [0,2,0,0,0,0|1,0,1]=4 16695 B11R0.111 C=C(C)CCOCCC(=O)NC 34a_100000754576_100000730704 [0,2,0,0,0,0|1,0,1]=4 16696 B11R0.111 C=C(C)CCOCCC(=O)NC 34a_100000764851_100012179268 [0,2,0,0,0,0|1,0,1]=4 16697 B11R0.111 C=C(C)CCOCCC(=O)OC 34a_100000764851_100000742370 [0,2,0,0,0,0|1,0,1]=4 16698 B11R0.111 C=C(C)CCSCCC(=O)NC 62a_100000730704_100000737683 [0,2,0,0,0,0|1,0,1]=4 16699 B11R0.111 C=C(C)CCSCCC(=O)NC 62a_100000737683_100000730704 [0,2,0,0,0,0|1,0,1]=4 16700 B11R0.111 C=C(C)CCSCCC(=O)OC 62a_100000204255_100000730704 [0,2,0,0,0,0|1,0,1]=4 16701 B11R0.111 C=C(C)CCSCCC(=O)OC 62a_100000730704_100000204255 [0,2,0,0,0,0|1,0,1]=4 16702 B11R0.111 C=C(C)CNCCCC(=O)NC 2230a_100000740002_100000748629 [0,2,0,0,0,0|1,0,1]=4 16703 B11R0.111 C=C(C)CNCCCC(=O)NC 34a_100000740002_100000748629 [0,2,0,0,0,0|1,0,1]=4 16704 B11R0.111 C=C(C)CNCCNC(=O)CC 34a_100132302217_100000748629 [0,2,0,0,0,0|1,0,1]=4 16705 B11R0.111 C=C(C)COCCCC(=O)NC 34a_100000210245_100000741757 [0,2,0,0,0,0|1,0,1]=4 16706 B11R0.111 C=C(C)COCCCC(=O)OC 34a_100000210245_100000742333 [0,2,0,0,0,0|1,0,1]=4 16707 B11R0.111 C=C(C)COCCNC(=O)CC 34a_200000158885_100000748629 [0,2,0,0,0,0|1,0,1]=4 16708 B11R0.111 C=C(C)COCCNC(=O)CC 7a_200000158885_100000748629 [0,2,0,0,0,0|1,0,1]=4 16709 B11R0.111 C=C(C)COCCOC(=O)CC 7a_200000031056_100000748629 [0,2,0,0,0,0|1,0,1]=4 16710 B11R0.111 C=C(C)CSCCCC(=O)NC 62a_100000741757_100000211660 [0,2,0,0,0,0|1,0,1]=4 16711 B11R0.111 C=C(C)CSCCCC(=O)NC 62a_100000748629_100000741757 [0,2,0,0,0,0|1,0,1]=4 16712 B11R0.111 C=C(C)CSCCCC(=O)OC 62a_100000748629_100011218270 [0,2,0,0,0,0|1,0,1]=4 16713 B11R0.111 C=C(C)CSCCCC(=O)OC 62a_100011218270_100000211660 [0,2,0,0,0,0|1,0,1]=4 16714 B11R0.111 C=CC(=O)CCCCCC(C)C 1458a_100000185746_100000210682 [0,2,0,0,0,0|0,0,2]=4 16715 B11R0.111 CC(=O)OCCCCC(=O)CO 1458a_100000210174_100000033659 [0,2,0,0,0,0|1,0,1]=4 16716 B11R0.111 CC(=O)SCCCCC(=O)CO 1458a_100000210174_200010402107 [0,2,0,0,0,0|1,0,1]=4 16717 B11R0.111 CC(C)CCCCCC(=O)CF 1458a_100000766313_100015361967 [0,2,0,0,0,0|1,0,0]=3 16718 B11R0.111 CC(C)CCCCCC(=O)CO 1458a_100000210174_100000210682 [0,2,0,0,0,0|1,0,0]=3 16719 B11R0.111 CC(C)COCCCC(=O)NN 34a_100000211488_100000210624 [0,2,0,0,0,0|2,0,0]=4 16720 B11R0.111 CC(C)OCCCNC(=O)CO 240690a_100000737246_100000210174 [0,2,0,0,0,0|2,0,0]=4 16721 B11R0.111 CC(C)OCCCNC(=O)CO 527a_100000737246_100000210174 [0,2,0,0,0,0|2,0,0]=4 16722 B11R0.111 CC(O)COCCCC(=O)NN 34a_100000211488_100011218427 [0,2,0,0,0,0|2,0,0]=4 16723 B11R0.111 CCC(=O)CCCCCB(O)O 1458a_100000210414_200009817188 [0,2,0,0,0,0|1,0,0]=3 16724 B11R0.111 CCC(=O)CCCCCC(=O)N 1458a_100000210414_100009817443 [0,2,0,0,0,0|0,0,1]=3 16725 B11R0.111 CCC(=O)CCCCCC(C)C 1458a_100000210414_100000210682 [0,2,0,0,0,0|0,0,0]=2 16726 B11R0.111 CCC(=O)CCCCCC(C)C 1458a_100000766313_100000210202 [0,2,0,0,0,0|0,0,0]=2 16727 B11R0.111 CCC(=O)CCCCC[N+](=O)[O-] 1458a_100000043470_100000210202 [0,2,0,0,0,0|1,0,0]=3 16728 B11R0.111 CCC(=O)CCCCOC(=O)C 1458a_100000210414_100000033659 [0,2,0,0,0,0|0,0,1]=3 16729 B11R0.111 CCC(=O)CCCCO[N+](=O)[O-] 1458a_100000210414_100015694321 [0,2,0,0,0,0|2,0,0]=4 16730 B11R0.111 CCC(=O)CCCCSC(=O)C 1458a_100000210414_200010402107 [0,2,0,0,0,0|0,0,1]=3 16731 B11R0.111 CCC(=O)COCCC=C(C)C 34a_100000725409_100011217483 [0,2,0,0,0,0|0,0,2]=4 16732 B11R0.111 CCC(=O)COCCCC(=O)C 34a_100000725409_100000685027 [0,2,0,0,0,0|0,0,1]=3 16733 B11R0.111 CCC(=O)COCCCC(=O)C 7a_100000759063_100000747405 [0,2,0,0,0,0|0,0,1]=3 16734 B11R0.111 CCC(=O)COCCCC(=O)N 34a_100000725409_100102525003 [0,2,0,0,0,0|1,0,1]=4 16735 B11R0.111 CCC(=O)COCCCC(C)C 34a_100000725409_100011214892 [0,2,0,0,0,0|0,0,0]=2 16736 B11R0.111 CCC(=O)COCCCC(C)C 7a_100000210774_100000747405 [0,2,0,0,0,0|0,0,0]=2 16737 B11R0.111 CCC(=O)COCCCC(C)O 34a_100000725409_200000718107 [0,2,0,0,0,0|0,0,0]=2 16738 B11R0.111 CCC(=O)COCCOC(=O)C 34a_100000725409_100009814007 [0,2,0,0,0,0|1,0,1]=4 16739 B11R0.111 CCC(=O)COCCOC(C)C 34a_100000725409_100000211751 [0,2,0,0,0,0|1,0,0]=3 16740 B11R0.111 CCC(=O)COCCOC(C)C 7a_100000211219_100000747405 [0,2,0,0,0,0|1,0,0]=3 16741 B11R0.111 CCC(=O)COCCSC(C)C 34a_100000725409_100000730970 [0,2,0,0,0,0|1,0,0]=3 16742 B11R0.111 CCC(=O)COCCSC(C)C 7a_200011212901_100000747405 [0,2,0,0,0,0|1,0,0]=3 16743 B11R0.111 CCC(=O)CSCCC=C(C)C 62a_100000747405_100011217483 [0,2,0,0,0,0|0,0,2]=4 16744 B11R0.111 CCC(=O)CSCCC=C(C)C 62a_100011217483_100000747405 [0,2,0,0,0,0|0,0,2]=4 16745 B11R0.111 CCC(=O)CSCCCC(=O)C 62a_100000747405_100011215641 [0,2,0,0,0,0|0,0,1]=3 16746 B11R0.111 CCC(=O)CSCCCC(=O)C 62a_100011215641_100000747405 [0,2,0,0,0,0|0,0,1]=3 16747 B11R0.111 CCC(=O)CSCCCC(=O)N 62a_100000747405_100102525003 [0,2,0,0,0,0|1,0,1]=4 16748 B11R0.111 CCC(=O)CSCCCC(=O)N 62a_100102525003_100000747405 [0,2,0,0,0,0|1,0,1]=4 16749 B11R0.111 CCC(=O)CSCCCC(C)C 62a_100000747405_100011214892 [0,2,0,0,0,0|0,0,0]=2 16750 B11R0.111 CCC(=O)CSCCCC(C)C 62a_100011214892_100000747405 [0,2,0,0,0,0|0,0,0]=2 16751 B11R0.111 CCC(=O)CSCCCC(C)O 62a_100000747405_200000718107 [0,2,0,0,0,0|0,0,0]=2 16752 B11R0.111 CCC(=O)CSCCCC(C)O 62a_200000718107_100000747405 [0,2,0,0,0,0|0,0,0]=2 16753 B11R0.111 CCC(=O)CSCCCN(C)C 62a_100000747405_100000757444 [0,2,0,0,0,0|1,0,0]=3 16754 B11R0.111 CCC(=O)CSCCNC(=O)C 62a_100000189650_100000747405 [0,2,0,0,0,0|1,0,1]=4 16755 B11R0.111 CCC(=O)CSCCNC(=O)C 62a_100000747405_100000189650 [0,2,0,0,0,0|1,0,1]=4 16756 B11R0.111 CCC(=O)CSCCOC(=O)C 62a_100000747405_100009814007 [0,2,0,0,0,0|1,0,1]=4 16757 B11R0.111 CCC(=O)CSCCOC(=O)C 62a_100009814007_100000747405 [0,2,0,0,0,0|1,0,1]=4 16758 B11R0.111 CCC(=O)CSCCOC(C)C 62a_100000211751_100000747405 [0,2,0,0,0,0|1,0,0]=3 16759 B11R0.111 CCC(=O)CSCCOC(C)C 62a_100000747405_100000211751 [0,2,0,0,0,0|1,0,0]=3 16760 B11R0.111 CCC(=O)CSCCSC(C)C 62a_100000730970_100000747405 [0,2,0,0,0,0|1,0,0]=3 16761 B11R0.111 CCC(=O)CSCCSC(C)C 62a_100000747405_100000730970 [0,2,0,0,0,0|1,0,0]=3 16762 B11R0.111 CCC(=O)NCCCCC(=O)N 11a_100000696515_100000210414 [0,2,0,0,0,0|1,0,1]=4 16763 B11R0.111 CCC(=O)NCCCCC(=O)N 1626a_100000696515_100000210414 [0,2,0,0,0,0|1,0,1]=4 16764 B11R0.111 CCC(=O)NCCCCC(=O)N 240690a_100000696515_100000210414 [0,2,0,0,0,0|1,0,1]=4 16765 B11R0.111 CCC(=O)NCCCCC(=O)N 527a_100000696515_100000210414 [0,2,0,0,0,0|1,0,1]=4 16766 B11R0.111 CCC(=O)NCCCCN(C)C 240690a_100025707445_100000210414 [0,2,0,0,0,0|1,0,0]=3 16767 B11R0.111 CCC(=O)NCCCNC(=O)C 11a_100000736810_100000210414 [0,2,0,0,0,0|1,0,1]=4 16768 B11R0.111 CCC(=O)NCCCNC(=O)C 240690a_100000736810_100000210414 [0,2,0,0,0,0|1,0,1]=4 16769 B11R0.111 CCC(=O)NCCCNC(=O)C 527a_100000736810_100000210414 [0,2,0,0,0,0|1,0,1]=4 16770 B11R0.111 CCC(=O)NCCCOC(C)C 11a_100000737246_100000210414 [0,2,0,0,0,0|1,0,0]=3 16771 B11R0.111 CCC(=O)NCCCOC(C)C 1626a_100000737246_100000210414 [0,2,0,0,0,0|1,0,0]=3 16772 B11R0.111 CCC(=O)NCCCOC(C)C 240690a_100000737246_100000210414 [0,2,0,0,0,0|1,0,0]=3 16773 B11R0.111 CCC(=O)NCCCOC(C)C 527a_100000737246_100000210414 [0,2,0,0,0,0|1,0,0]=3 16774 B11R0.111 CCC(=O)NCCNCC(C)C 270004a_100132302217_100000210432 [0,2,0,0,0,0|1,0,0]=3 16775 B11R0.111 CCC(=O)NCCNCC(C)C 34a_100132302217_100000210624 [0,2,0,0,0,0|1,0,0]=3 16776 B11R0.111 CCC(=O)NCCNCC(C)O 34a_100132302217_100011218427 [0,2,0,0,0,0|1,0,0]=3 16777 B11R0.111 CCC(=O)NCCNCC(F)F 34a_100132302217_100011934356 [0,2,0,0,0,0|2,0,0]=4 16778 B11R0.111 CCC(=O)NCCNC[C@@H](C)O 34a_100132302217_100009817552 [0,2,0,0,0,0|1,0,0]=3 16779 B11R0.111 CCC(=O)NCCOCC(C)C 34a_200000158885_100000210624 [0,2,0,0,0,0|1,0,0]=3 16780 B11R0.111 CCC(=O)NCCOCC(C)C 7a_200000158885_100000210760 [0,2,0,0,0,0|1,0,0]=3 16781 B11R0.111 CCC(=O)NCCOCC(C)O 34a_200000158885_100011218427 [0,2,0,0,0,0|1,0,0]=3 16782 B11R0.111 CCC(=O)NCCOCC(C)O 7a_200000158885_100011218427 [0,2,0,0,0,0|1,0,0]=3 16783 B11R0.111 CCC(=O)NCCOCC(F)F 34a_200000158885_100011934356 [0,2,0,0,0,0|2,0,0]=4 16784 B11R0.111 CCC(=O)NCCOCC(F)F 7a_200000158885_100011934356 [0,2,0,0,0,0|2,0,0]=4 16785 B11R0.111 CCC(=O)NCCOC[C@@H](C)O 34a_200000158885_100009817552 [0,2,0,0,0,0|1,0,0]=3 16786 B11R0.111 CCC(=O)NCCOC[C@@H](C)O 7a_200000158885_100009817552 [0,2,0,0,0,0|1,0,0]=3 16787 B11R0.111 CCC(=O)OCCOCC(C)C 7a_200000031056_100000210760 [0,2,0,0,0,0|1,0,0]=3 16788 B11R0.111 CCC(=O)OCCOCC(C)O 7a_200000031056_100011218427 [0,2,0,0,0,0|1,0,0]=3 16789 B11R0.111 CCC(=O)OCCOCC(F)F 7a_200000031056_100011934356 [0,2,0,0,0,0|2,0,0]=4 16790 B11R0.111 CCC(=O)OCCOC[C@@H](C)O 7a_200000031056_100009817552 [0,2,0,0,0,0|1,0,0]=3 16791 B11R0.111 CCC(C)CCCOCC(C)C 7a_100011216074_100000210760 [0,2,0,0,0,0|1,0,1]=4 16792 B11R0.111 CCC(C)CCCOCC(C)O 7a_100011216074_100011218427 [0,2,0,0,0,0|1,0,1]=4 16793 B11R0.111 CCC(C)CCCOC[C@@H](C)O 7a_100011216074_100009817552 [0,2,0,0,0,0|1,0,1]=4 16794 B11R0.111 CCC(C)CCNCCC(C)C 2230a_100020591266_100000210312 [0,2,0,0,0,0|1,0,1]=4 16795 B11R0.111 CCC(C)CCNCCC(C)C 269862a_100020591266_100000185833 [0,2,0,0,0,0|1,0,1]=4 16796 B11R0.111 CCC(C)CCNCCC(C)O 2230a_100020591266_100012276601 [0,2,0,0,0,0|1,0,1]=4 16797 B11R0.111 CCC(C)CCOCCC(C)C 7a_100011215188_100000210626 [0,2,0,0,0,0|1,0,1]=4 16798 B11R0.111 CCC(C)CCOCCC(C)O 7a_100011215188_100012276601 [0,2,0,0,0,0|1,0,1]=4 16799 B11R0.111 CCC(C)CNCCCC(C)C 2230a_100020588543_100011214892 [0,2,0,0,0,0|1,0,1]=4 16800 B11R0.111 CCC(C)CNCCCC(C)C 2230a_200000737386_100000748023 [0,2,0,0,0,0|1,0,1]=4 16801 B11R0.111 CCC(C)CNCCCC(C)C 270004a_200000737386_100000243153 [0,2,0,0,0,0|1,0,1]=4 16802 B11R0.111 CCC(C)CNCCCC(C)C 34a_200000737386_100000748023 [0,2,0,0,0,0|1,0,1]=4 16803 B11R0.111 CCC(C)CNCCCC(C)O 2230a_100020588543_200000718107 [0,2,0,0,0,0|1,0,1]=4 16804 B11R0.111 CCC(C)COCCCC(C)C 34a_100000210774_100000748023 [0,2,0,0,0,0|1,0,1]=4 16805 B11R0.111 CCC(C)COCCCC(C)C 7a_100000210774_100000748023 [0,2,0,0,0,0|1,0,1]=4 16806 B11R0.111 CCC(C)CSCCCC(C)C 62a_100000748023_100011214892 [0,2,0,0,0,0|1,0,1]=4 16807 B11R0.111 CCC(C)CSCCCC(C)C 62a_100011214892_100000748023 [0,2,0,0,0,0|1,0,1]=4 16808 B11R0.111 CCC(C)CSCCCC(C)O 62a_100000748023_200000718107 [0,2,0,0,0,0|1,0,1]=4 16809 B11R0.111 CCC(C)CSCCCC(C)O 62a_200000718107_100000748023 [0,2,0,0,0,0|1,0,1]=4 16810 B11R0.111 CCC(C)NCCCCC(C)C 2230a_100000209981_100011216152 [0,2,0,0,0,0|1,0,1]=4 16811 B11R0.111 CCC(C)OCCCCC(C)C 34a_100011214890_100011215416 [0,2,0,0,0,0|1,0,1]=4 16812 B11R0.111 CCC(C)OCCCCC(C)C 7a_100000210228_100011216152 [0,2,0,0,0,0|1,0,1]=4 16813 B11R0.111 CCC(C)OCCCCC(C)C 7a_100011214890_100000758301 [0,2,0,0,0,0|1,0,1]=4 16814 B11R0.111 CCC(C)SCCCCC(C)C 62a_100000758301_100011216152 [0,2,0,0,0,0|1,0,1]=4 16815 B11R0.111 CCC(C)SCCCCC(C)C 62a_100011216152_100000758301 [0,2,0,0,0,0|1,0,1]=4 16816 B11R0.111 CCC(O)CNCCCC(C)C 2230a_100011218483_100011214892 [0,2,0,0,0,0|0,0,2]=4 16817 B11R0.111 CCC(O)CNCCCC(C)C 2230a_200000737386_100011218378 [0,2,0,0,0,0|0,0,2]=4 16818 B11R0.111 CCC(O)CNCCCC(C)C 34a_200000737386_100011218378 [0,2,0,0,0,0|0,0,2]=4 16819 B11R0.111 CCC(O)CNCCCC(C)O 2230a_100011218483_200000718107 [0,2,0,0,0,0|0,0,2]=4 16820 B11R0.111 CCC(O)COCCCC(C)C 34a_100000210774_100011218378 [0,2,0,0,0,0|0,0,2]=4 16821 B11R0.111 CCC(O)COCCCC(C)C 7a_100000210774_100011218378 [0,2,0,0,0,0|0,0,2]=4 16822 B11R0.111 CCC(O)CSCCCC(C)C 62a_100011214892_100011218378 [0,2,0,0,0,0|0,0,2]=4 16823 B11R0.111 CCC(O)CSCCCC(C)C 62a_100011218378_100011214892 [0,2,0,0,0,0|0,0,2]=4 16824 B11R0.111 CCC(O)CSCCCC(C)O 62a_100011218378_200000718107 [0,2,0,0,0,0|0,0,2]=4 16825 B11R0.111 CCC(O)CSCCCC(C)O 62a_200000718107_100011218378 [0,2,0,0,0,0|0,0,2]=4 16826 B11R0.111 CCN(C)CCCCCC(C)C 2230a_100000225621_100000210682 [0,2,0,0,0,0|2,0,0]=4 16827 B11R0.111 CCN(C)CCCCCC(C)C 269982a_100000225621_100000210682 [0,2,0,0,0,0|2,0,0]=4 16828 B11R0.111 CCN(C)CCCNCC(C)C 2230a_100000210953_100015186262 [0,2,0,0,0,0|2,0,0]=4 16829 B11R0.111 CCN(C)CCCNCC(C)O 2230a_100000210904_100015186262 [0,2,0,0,0,0|2,0,0]=4 16830 B11R0.111 CCN(C)CCCSCC(C)C 62a_100000210624_100015186262 [0,2,0,0,0,0|2,0,0]=4 16831 B11R0.111 CCN(C)CCCSCC(C)O 62a_100011218427_100015186262 [0,2,0,0,0,0|2,0,0]=4 16832 B11R0.111 CCN(C)CCCSC[C@@H](C)O 62a_100009817552_100015186262 [0,2,0,0,0,0|2,0,0]=4 16833 B11R0.111 CC[C@H](C)CNCCCC(C)C 2230a_200000737386_100009816398 [0,2,0,0,0,0|1,0,1]=4 16834 B11R0.111 CC[C@H](C)CNCCCC(C)C 34a_200000737386_100009816398 [0,2,0,0,0,0|1,0,1]=4 16835 B11R0.111 CC[C@H](C)COCCCC(C)C 34a_100000210774_100009816398 [0,2,0,0,0,0|1,0,1]=4 16836 B11R0.111 CC[C@H](C)COCCCC(C)C 7a_100000210774_100009816398 [0,2,0,0,0,0|1,0,1]=4 16837 B11R0.111 CC[C@H](C)COCCCC(C)C 7a_100009816381_100011214892 [0,2,0,0,0,0|1,0,1]=4 16838 B11R0.111 CC[C@H](C)COCCCC(C)O 7a_100009816381_200000718107 [0,2,0,0,0,0|1,0,1]=4 16839 B11R0.111 CC[C@H](C)CSCCCC(C)C 62a_100009816398_100011214892 [0,2,0,0,0,0|1,0,1]=4 16840 B11R0.111 CC[C@H](C)CSCCCC(C)C 62a_100011214892_100009816398 [0,2,0,0,0,0|1,0,1]=4 16841 B11R0.111 CC[C@H](C)CSCCCC(C)O 62a_100009816398_200000718107 [0,2,0,0,0,0|1,0,1]=4 16842 B11R0.111 CC[C@H](C)CSCCCC(C)O 62a_200000718107_100009816398 [0,2,0,0,0,0|1,0,1]=4 16843 B11R0.111 CN(C)CCCCNC(=O)CO 240690a_100025707445_100000210174 [0,2,0,0,0,0|2,0,0]=4 16844 B11R0.111 CNC(=O)CCCCCC(C)C 11a_106832991635_100000766313 [0,2,0,0,0,0|1,0,0]=3 16845 B11R0.111 CNC(=O)CCCCCC(C)C 1626a_100102657272_100000766313 [0,2,0,0,0,0|1,0,0]=3 16846 B11R0.111 CNC(=O)CCCCCC(C)C 240690a_100102657272_100000766313 [0,2,0,0,0,0|1,0,0]=3 16847 B11R0.111 CNC(=O)CCCCCC(C)C 527a_100102657272_100000766313 [0,2,0,0,0,0|1,0,0]=3 16848 B11R0.111 CNC(=O)CCCCC[N+](=O)[O-] 11a_106832991635_100000043470 [0,2,0,0,0,0|2,0,0]=4 16849 B11R0.111 CNC(=O)CCCCC[N+](=O)[O-] 1626a_100102657272_100000043470 [0,2,0,0,0,0|2,0,0]=4 16850 B11R0.111 CNC(=O)CCCCC[N+](=O)[O-] 240690a_100102657272_100000043470 [0,2,0,0,0,0|2,0,0]=4 16851 B11R0.111 CNC(=O)CCCCC[N+](=O)[O-] 527a_100102657272_100000043470 [0,2,0,0,0,0|2,0,0]=4 16852 B11R0.111 CNC(=O)CCCNCC(C)C 2230a_100000210953_100000741757 [0,2,0,0,0,0|1,0,0]=3 16853 B11R0.111 CNC(=O)CCCNCC(C)C 2230a_100000740002_100000210760 [0,2,0,0,0,0|1,0,0]=3 16854 B11R0.111 CNC(=O)CCCNCC(C)C 270004a_100000740002_100000210432 [0,2,0,0,0,0|1,0,0]=3 16855 B11R0.111 CNC(=O)CCCNCC(C)C 34a_100000210953_100000741757 [0,2,0,0,0,0|1,0,0]=3 16856 B11R0.111 CNC(=O)CCCNCC(C)C 34a_100000740002_100000210624 [0,2,0,0,0,0|1,0,0]=3 16857 B11R0.111 CNC(=O)CCCNCC(C)O 2230a_100000210904_100000741757 [0,2,0,0,0,0|1,0,0]=3 16858 B11R0.111 CNC(=O)CCCNCC(C)O 2230a_100000740002_100011218427 [0,2,0,0,0,0|1,0,0]=3 16859 B11R0.111 CNC(=O)CCCNCC(C)O 34a_100000210904_100000741757 [0,2,0,0,0,0|1,0,0]=3 16860 B11R0.111 CNC(=O)CCCNCC(C)O 34a_100000740002_100011218427 [0,2,0,0,0,0|1,0,0]=3 16861 B11R0.111 CNC(=O)CCCNCC(F)F 2230a_100000740002_100011934356 [0,2,0,0,0,0|2,0,0]=4 16862 B11R0.111 CNC(=O)CCCNCC(F)F 34a_100000740002_100011934356 [0,2,0,0,0,0|2,0,0]=4 16863 B11R0.111 CNC(=O)CCCNCC(F)F 34a_100000765723_100000741757 [0,2,0,0,0,0|2,0,0]=4 16864 B11R0.111 CNC(=O)CCCNC[C@@H](C)O 2230a_100000740002_100009817552 [0,2,0,0,0,0|1,0,0]=3 16865 B11R0.111 CNC(=O)CCCNC[C@@H](C)O 34a_100000740002_100009817552 [0,2,0,0,0,0|1,0,0]=3 16866 B11R0.111 CNC(=O)CCCOCC(=O)C 34a_100000211253_100000741757 [0,2,0,0,0,0|1,0,1]=4 16867 B11R0.111 CNC(=O)CCCOCC(C)Br 34a_100012180447_100000741757 [0,2,0,0,0,0|1,0,0]=3 16868 B11R0.111 CNC(=O)CCCOCC(C)C 34a_100000210257_100000741757 [0,2,0,0,0,0|1,0,0]=3 16869 B11R0.111 CNC(=O)CCCOCC(C)F 34a_100015925927_100000741757 [0,2,0,0,0,0|1,0,0]=3 16870 B11R0.111 CNC(=O)CCCOCC(F)F 34a_100000743014_100000741757 [0,2,0,0,0,0|2,0,0]=4 16871 B11R0.111 CNC(=O)CCCOC[C@@H](C)Cl 34a_100016084084_100000741757 [0,2,0,0,0,0|1,0,0]=3 16872 B11R0.111 CNC(=O)CCCOC[C@@H](C)N 34a_100000737577_100000741757 [0,2,0,0,0,0|1,0,0]=3 16873 B11R0.111 CNC(=O)CCCSCC(C)C 62a_100000210624_100000741757 [0,2,0,0,0,0|1,0,0]=3 16874 B11R0.111 CNC(=O)CCCSCC(C)C 62a_100000741757_100000210760 [0,2,0,0,0,0|1,0,0]=3 16875 B11R0.111 CNC(=O)CCCSCC(C)O 62a_100000741757_100011218427 [0,2,0,0,0,0|1,0,0]=3 16876 B11R0.111 CNC(=O)CCCSCC(C)O 62a_100011218427_100000741757 [0,2,0,0,0,0|1,0,0]=3 16877 B11R0.111 CNC(=O)CCCSCC(F)F 62a_100000741757_100011934356 [0,2,0,0,0,0|2,0,0]=4 16878 B11R0.111 CNC(=O)CCCSCC(F)F 62a_100011934356_100000741757 [0,2,0,0,0,0|2,0,0]=4 16879 B11R0.111 CNC(=O)CCCSC[C@@H](C)O 62a_100000741757_100009817552 [0,2,0,0,0,0|1,0,0]=3 16880 B11R0.111 CNC(=O)CCCSC[C@@H](C)O 62a_100009817552_100000741757 [0,2,0,0,0,0|1,0,0]=3 16881 B11R0.111 CNC(=O)CCNCCC(C)C 2230a_100000738227_100000210312 [0,2,0,0,0,0|1,0,0]=3 16882 B11R0.111 CNC(=O)CCNCCC(C)C 269862a_100000738227_100000185833 [0,2,0,0,0,0|1,0,0]=3 16883 B11R0.111 CNC(=O)CCNCCC(C)C 34a_100000738227_100000210312 [0,2,0,0,0,0|1,0,0]=3 16884 B11R0.111 CNC(=O)CCNCCC(C)O 2230a_100000738227_100012276601 [0,2,0,0,0,0|1,0,0]=3 16885 B11R0.111 CNC(=O)CCNCCC(C)O 2230a_200000755665_100000737683 [0,2,0,0,0,0|1,0,0]=3 16886 B11R0.111 CNC(=O)CCNCCC(C)O 34a_100000738227_100012276601 [0,2,0,0,0,0|1,0,0]=3 16887 B11R0.111 CNC(=O)CCNCOC(C)C 2230a_100000738227_100000709892 [0,2,0,0,0,0|2,0,0]=4 16888 B11R0.111 CNC(=O)CCNCOC(C)C 34a_100000738227_100000709892 [0,2,0,0,0,0|2,0,0]=4 16889 B11R0.111 CNC(=O)CCOCCC(=O)C 34a_100000759926_100012179268 [0,2,0,0,0,0|1,0,1]=4 16890 B11R0.111 CNC(=O)CCOCCC(=O)C 7a_100000759926_100000737683 [0,2,0,0,0,0|1,0,1]=4 16891 B11R0.111 CNC(=O)CCOCCC(C)Br 34a_100009893172_100012179268 [0,2,0,0,0,0|1,0,0]=3 16892 B11R0.111 CNC(=O)CCOCCC(C)C 34a_100000210254_100012179268 [0,2,0,0,0,0|1,0,0]=3 16893 B11R0.111 CNC(=O)CCOCCC(C)C 34a_100000754576_100000210312 [0,2,0,0,0,0|1,0,0]=3 16894 B11R0.111 CNC(=O)CCOCCC(C)C 7a_100000210254_100000737683 [0,2,0,0,0,0|1,0,0]=3 16895 B11R0.111 CNC(=O)CCOCCC(C)O 34a_100000754576_100012276601 [0,2,0,0,0,0|1,0,0]=3 16896 B11R0.111 CNC(=O)CCOCCC(F)F 34a_100103093639_100012179268 [0,2,0,0,0,0|2,0,0]=4 16897 B11R0.111 CNC(=O)CCOCC[C@@H](C)N 34a_100000706166_100012179268 [0,2,0,0,0,0|1,0,0]=3 16898 B11R0.111 CNC(=O)CCOCOC(C)C 34a_100000754576_100000709892 [0,2,0,0,0,0|2,0,0]=4 16899 B11R0.111 CNC(=O)CCSCCC(=O)C 62a_100000053229_100000737683 [0,2,0,0,0,0|1,0,1]=4 16900 B11R0.111 CNC(=O)CCSCCC(=O)C 62a_100000737683_100000053229 [0,2,0,0,0,0|1,0,1]=4 16901 B11R0.111 CNC(=O)CCSCCC(C)C 62a_100000210312_100000737683 [0,2,0,0,0,0|1,0,0]=3 16902 B11R0.111 CNC(=O)CCSCCC(C)C 62a_100000737683_100000210312 [0,2,0,0,0,0|1,0,0]=3 16903 B11R0.111 CNC(=O)CCSCCC(C)O 62a_100000737683_100012276601 [0,2,0,0,0,0|1,0,0]=3 16904 B11R0.111 CNC(=O)CCSCCC(C)O 62a_100012276601_100000737683 [0,2,0,0,0,0|1,0,0]=3 16905 B11R0.111 CNC(=O)CCSCCN(C)C 62a_100000737683_100000755713 [0,2,0,0,0,0|2,0,0]=4 16906 B11R0.111 CNC(=O)CCSCOC(C)C 62a_100000709892_100000737683 [0,2,0,0,0,0|2,0,0]=4 16907 B11R0.111 CNC(=O)CCSCOC(C)C 62a_100000737683_100000709892 [0,2,0,0,0,0|2,0,0]=4 16908 B11R0.111 CNC(=O)CNCCCC(C)C 2230a_100000693194_100011214892 [0,2,0,0,0,0|1,0,0]=3 16909 B11R0.111 CNC(=O)CNCCCC(C)C 2230a_200000737386_100000183359 [0,2,0,0,0,0|1,0,0]=3 16910 B11R0.111 CNC(=O)CNCCCC(C)C 34a_200000737386_100000183359 [0,2,0,0,0,0|1,0,0]=3 16911 B11R0.111 CNC(=O)CNCCCC(C)O 2230a_100000693194_200000718107 [0,2,0,0,0,0|1,0,0]=3 16912 B11R0.111 CNC(=O)CNCCCS(=O)C 2230a_200000753449_100000183359 [0,2,0,0,0,0|2,0,0]=4 16913 B11R0.111 CNC(=O)CNCCOC(C)C 2230a_100000693194_100000211751 [0,2,0,0,0,0|2,0,0]=4 16914 B11R0.111 CNC(=O)CNCCOC(C)C 2230a_100000701111_100000183359 [0,2,0,0,0,0|2,0,0]=4 16915 B11R0.111 CNC(=O)CNCCOC(C)C 34a_100000701111_100000183359 [0,2,0,0,0,0|2,0,0]=4 16916 B11R0.111 CNC(=O)CNCCSC(C)C 2230a_100000693194_100000730970 [0,2,0,0,0,0|2,0,0]=4 16917 B11R0.111 CNC(=O)CNCCSC(C)C 2230a_100000731138_100000183359 [0,2,0,0,0,0|2,0,0]=4 16918 B11R0.111 CNC(=O)CNCCSC(C)C 34a_100000731138_100000183359 [0,2,0,0,0,0|2,0,0]=4 16919 B11R0.111 CNC(=O)COCCCC(=O)C 34a_100000750040_100000685027 [0,2,0,0,0,0|1,0,1]=4 16920 B11R0.111 CNC(=O)COCCCC(=O)C 34a_100000759063_100000183359 [0,2,0,0,0,0|1,0,1]=4 16921 B11R0.111 CNC(=O)COCCCC(=O)C 7a_100000759063_100000183359 [0,2,0,0,0,0|1,0,1]=4 16922 B11R0.111 CNC(=O)COCCCC(C)C 34a_100000210774_100000183359 [0,2,0,0,0,0|1,0,0]=3 16923 B11R0.111 CNC(=O)COCCCC(C)C 34a_100000750040_100011214892 [0,2,0,0,0,0|1,0,0]=3 16924 B11R0.111 CNC(=O)COCCCC(C)C 7a_100000210774_100000183359 [0,2,0,0,0,0|1,0,0]=3 16925 B11R0.111 CNC(=O)COCCCC(C)O 34a_100000750040_200000718107 [0,2,0,0,0,0|1,0,0]=3 16926 B11R0.111 CNC(=O)COCCNC(C)C 34a_100000224655_100000183359 [0,2,0,0,0,0|2,0,0]=4 16927 B11R0.111 CNC(=O)COCCOC(C)C 34a_100000211219_100000183359 [0,2,0,0,0,0|2,0,0]=4 16928 B11R0.111 CNC(=O)COCCOC(C)C 34a_100000750040_100000211751 [0,2,0,0,0,0|2,0,0]=4 16929 B11R0.111 CNC(=O)COCCOC(C)C 7a_100000211219_100000183359 [0,2,0,0,0,0|2,0,0]=4 16930 B11R0.111 CNC(=O)COCCSC(C)C 34a_100000750040_100000730970 [0,2,0,0,0,0|2,0,0]=4 16931 B11R0.111 CNC(=O)COCCSC(C)C 34a_200011212901_100000183359 [0,2,0,0,0,0|2,0,0]=4 16932 B11R0.111 CNC(=O)COCCSC(C)C 7a_200011212901_100000183359 [0,2,0,0,0,0|2,0,0]=4 16933 B11R0.111 CNC(=O)CSCCCC(=O)C 62a_100000183359_100011215641 [0,2,0,0,0,0|1,0,1]=4 16934 B11R0.111 CNC(=O)CSCCCC(=O)C 62a_100011215641_100000183359 [0,2,0,0,0,0|1,0,1]=4 16935 B11R0.111 CNC(=O)CSCCCC(C)C 62a_100000183359_100011214892 [0,2,0,0,0,0|1,0,0]=3 16936 B11R0.111 CNC(=O)CSCCCC(C)C 62a_100011214892_100000183359 [0,2,0,0,0,0|1,0,0]=3 16937 B11R0.111 CNC(=O)CSCCCC(C)O 62a_100000183359_200000718107 [0,2,0,0,0,0|1,0,0]=3 16938 B11R0.111 CNC(=O)CSCCCC(C)O 62a_200000718107_100000183359 [0,2,0,0,0,0|1,0,0]=3 16939 B11R0.111 CNC(=O)CSCCCN(C)C 62a_100000183359_100000757444 [0,2,0,0,0,0|2,0,0]=4 16940 B11R0.111 CNC(=O)CSCCOC(C)C 62a_100000183359_100000211751 [0,2,0,0,0,0|2,0,0]=4 16941 B11R0.111 CNC(=O)CSCCOC(C)C 62a_100000211751_100000183359 [0,2,0,0,0,0|2,0,0]=4 16942 B11R0.111 CNC(=O)CSCCSC(C)C 62a_100000183359_100000730970 [0,2,0,0,0,0|2,0,0]=4 16943 B11R0.111 CNC(=O)CSCCSC(C)C 62a_100000730970_100000183359 [0,2,0,0,0,0|2,0,0]=4 16944 B11R0.111 CNC(=O)NCCCCN(C)C 2708a_100025707445_106832991635 [0,2,0,0,0,0|2,0,0]=4 16945 B11R0.111 CNC(=O)NCCCCN(C)C 2708a_100102657272_100025707445 [0,2,0,0,0,0|2,0,0]=4 16946 B11R0.111 CNC(=O)NCCCCN(C)C 273464a_100025707445_100102657272 [0,2,0,0,0,0|2,0,0]=4 16947 B11R0.111 CNC(=O)NCCCCN(C)C 273464a_100102657272_100025707445 [0,2,0,0,0,0|2,0,0]=4 16948 B11R0.111 CNC(=O)NCCCCN(C)C 512a_100025707445_100102657272 [0,2,0,0,0,0|2,0,0]=4 16949 B11R0.111 CNC(=O)NCCCCN(C)C 512a_106832991638_100025707445 [0,2,0,0,0,0|2,0,0]=4 16950 B11R0.111 CNC(=O)NCCCOC(C)C 2708a_100000737246_106832991635 [0,2,0,0,0,0|2,0,0]=4 16951 B11R0.111 CNC(=O)NCCCOC(C)C 2708a_100102657272_100000737246 [0,2,0,0,0,0|2,0,0]=4 16952 B11R0.111 CNC(=O)NCCCOC(C)C 273464a_100000737246_100102657272 [0,2,0,0,0,0|2,0,0]=4 16953 B11R0.111 CNC(=O)NCCCOC(C)C 273464a_100102657272_100000737246 [0,2,0,0,0,0|2,0,0]=4 16954 B11R0.111 CNC(=O)NCCCOC(C)C 512a_100000737246_100102657272 [0,2,0,0,0,0|2,0,0]=4 16955 B11R0.111 CNC(=O)NCCCOC(C)C 512a_106832991638_100000737246 [0,2,0,0,0,0|2,0,0]=4 16956 B11R0.111 CNC(=O)NCCNCC(C)C 34a_100015205895_100000210624 [0,2,0,0,0,0|2,0,0]=4 16957 B11R0.111 CNC(=O)NCCNCC(C)O 34a_100015205895_100011218427 [0,2,0,0,0,0|2,0,0]=4 16958 B11R0.111 CNC(=O)NCCNC[C@@H](C)O 34a_100015205895_100009817552 [0,2,0,0,0,0|2,0,0]=4 16959 B11R0.111 CNC(=O)OCCNCC(C)C 34a_100000210953_200011997002 [0,2,0,0,0,0|2,0,0]=4 16960 B11R0.111 CNC(=O)OCCNCC(C)O 34a_100000210904_200011997002 [0,2,0,0,0,0|2,0,0]=4 16961 B11R0.111 CNC(=O)OCCOCC(C)Br 34a_100012180447_200011997002 [0,2,0,0,0,0|2,0,0]=4 16962 B11R0.111 CNC(=O)OCCOCC(C)C 34a_100000210257_200011997002 [0,2,0,0,0,0|2,0,0]=4 16963 B11R0.111 CNC(=O)OCCOCC(C)F 34a_100015925927_200011997002 [0,2,0,0,0,0|2,0,0]=4 16964 B11R0.111 CNC(=O)OCCOC[C@@H](C)Cl 34a_100016084084_200011997002 [0,2,0,0,0,0|2,0,0]=4 16965 B11R0.111 CNC(=O)OCCOC[C@@H](C)N 34a_100000737577_200011997002 [0,2,0,0,0,0|2,0,0]=4 16966 B11R0.111 CNC(=O)OCCSCC(C)C 62a_100000210624_200011997002 [0,2,0,0,0,0|2,0,0]=4 16967 B11R0.111 CNC(=O)OCCSCC(C)C 62a_200011997002_100000210760 [0,2,0,0,0,0|2,0,0]=4 16968 B11R0.111 CNC(=O)OCCSCC(C)O 62a_100011218427_200011997002 [0,2,0,0,0,0|2,0,0]=4 16969 B11R0.111 CNC(=O)OCCSCC(C)O 62a_200011997002_100011218427 [0,2,0,0,0,0|2,0,0]=4 16970 B11R0.111 CNC(=O)OCCSC[C@@H](C)O 62a_100009817552_200011997002 [0,2,0,0,0,0|2,0,0]=4 16971 B11R0.111 CNC(=O)OCCSC[C@@H](C)O 62a_200011997002_100009817552 [0,2,0,0,0,0|2,0,0]=4 16972 B11R0.111 COC(=O)CCCCCC(=O)C 1458a_100000070787_100009816466 [0,2,0,0,0,0|1,0,0]=3 16973 B11R0.111 COC(=O)CCCCCC(=O)C 1458a_100009848860_200000210301 [0,2,0,0,0,0|1,0,0]=3 16974 B11R0.111 COC(=O)CCCCCC(=O)[13CH3] 1458a_100009848860_200025704644 [0,2,0,0,0,0|1,0,0]=3 16975 B11R0.111 COC(=O)CCCCCN(C)C 2230a_100102631434_100009816466 [0,2,0,0,0,0|1,0,0]=3 16976 B11R0.111 COC(=O)CCCCCN(C)C 269982a_100102631434_100009816466 [0,2,0,0,0,0|1,0,0]=3 16977 B11R0.111 COC(=O)CCCCNC(=O)C 188690a_100000746077_100015343762 [0,2,0,0,0,0|1,0,1]=4 16978 B11R0.111 COC(=O)CCCCNC(C)C 2230a_100138425928_100000204269 [0,2,0,0,0,0|1,0,0]=3 16979 B11R0.111 COC(=O)CCCCNC(C)C 34a_100138425928_100000204269 [0,2,0,0,0,0|1,0,0]=3 16980 B11R0.111 COC(=O)CCCCOC(C)C 34a_100000059025_100000210206 [0,2,0,0,0,0|1,0,0]=3 16981 B11R0.111 COC(=O)CCCCOC(C)C 34a_100000212225_100000204269 [0,2,0,0,0,0|1,0,0]=3 16982 B11R0.111 COC(=O)CCCCOC(C)C 7a_100000059025_100000210206 [0,2,0,0,0,0|1,0,0]=3 16983 B11R0.111 COC(=O)CCCCSC(C)C 62a_100000204269_100000210206 [0,2,0,0,0,0|1,0,0]=3 16984 B11R0.111 COC(=O)CCCCSC(C)C 62a_100000210206_100000204269 [0,2,0,0,0,0|1,0,0]=3 16985 B11R0.111 COC(=O)CCCNCC(C)C 2230a_100000210953_100011218270 [0,2,0,0,0,0|1,0,0]=3 16986 B11R0.111 COC(=O)CCCNCC(C)C 34a_100000210953_100000742333 [0,2,0,0,0,0|1,0,0]=3 16987 B11R0.111 COC(=O)CCCNCC(C)O 2230a_100000210904_100011218270 [0,2,0,0,0,0|1,0,0]=3 16988 B11R0.111 COC(=O)CCCNCC(C)O 34a_100000210904_100000742333 [0,2,0,0,0,0|1,0,0]=3 16989 B11R0.111 COC(=O)CCCNCC(F)F 34a_100000765723_100000742333 [0,2,0,0,0,0|2,0,0]=4 16990 B11R0.111 COC(=O)CCCOCC(=O)C 34a_100000211253_100000742333 [0,2,0,0,0,0|1,0,1]=4 16991 B11R0.111 COC(=O)CCCOCC(C)Br 34a_100012180447_100000742333 [0,2,0,0,0,0|1,0,0]=3 16992 B11R0.111 COC(=O)CCCOCC(C)C 34a_100000210257_100000742333 [0,2,0,0,0,0|1,0,0]=3 16993 B11R0.111 COC(=O)CCCOCC(C)F 34a_100015925927_100000742333 [0,2,0,0,0,0|1,0,0]=3 16994 B11R0.111 COC(=O)CCCOCC(F)F 34a_100000743014_100000742333 [0,2,0,0,0,0|2,0,0]=4 16995 B11R0.111 COC(=O)CCCOC[C@@H](C)Cl 34a_100016084084_100000742333 [0,2,0,0,0,0|1,0,0]=3 16996 B11R0.111 COC(=O)CCCOC[C@@H](C)N 34a_100000737577_100000742333 [0,2,0,0,0,0|1,0,0]=3 16997 B11R0.111 COC(=O)CCCSCC(C)C 62a_100000210624_100011218270 [0,2,0,0,0,0|1,0,0]=3 16998 B11R0.111 COC(=O)CCCSCC(C)C 62a_100011218270_100000210760 [0,2,0,0,0,0|1,0,0]=3 16999 B11R0.111 COC(=O)CCCSCC(C)O 62a_100011218270_100011218427 [0,2,0,0,0,0|1,0,0]=3 17000 B11R0.111 COC(=O)CCCSCC(C)O 62a_100011218427_100011218270 [0,2,0,0,0,0|1,0,0]=3 17001 B11R0.111 COC(=O)CCCSCC(F)F 62a_100011218270_100011934356 [0,2,0,0,0,0|2,0,0]=4 17002 B11R0.111 COC(=O)CCCSCC(F)F 62a_100011934356_100011218270 [0,2,0,0,0,0|2,0,0]=4 17003 B11R0.111 COC(=O)CCCSC[C@@H](C)O 62a_100009817552_100011218270 [0,2,0,0,0,0|1,0,0]=3 17004 B11R0.111 COC(=O)CCCSC[C@@H](C)O 62a_100011218270_100009817552 [0,2,0,0,0,0|1,0,0]=3 17005 B11R0.111 COC(=O)CCNCCC(C)O 2230a_200000755665_100000204255 [0,2,0,0,0,0|1,0,0]=3 17006 B11R0.111 COC(=O)CCOCCC(=O)C 34a_100000759926_100000742370 [0,2,0,0,0,0|1,0,1]=4 17007 B11R0.111 COC(=O)CCOCCC(=O)C 7a_100000759926_100000204255 [0,2,0,0,0,0|1,0,1]=4 17008 B11R0.111 COC(=O)CCOCCC(C)Br 34a_100009893172_100000742370 [0,2,0,0,0,0|1,0,0]=3 17009 B11R0.111 COC(=O)CCOCCC(C)C 34a_100000210254_100000742370 [0,2,0,0,0,0|1,0,0]=3 17010 B11R0.111 COC(=O)CCOCCC(C)C 7a_100000210254_100000204255 [0,2,0,0,0,0|1,0,0]=3 17011 B11R0.111 COC(=O)CCOCCC(F)F 34a_100103093639_100000742370 [0,2,0,0,0,0|2,0,0]=4 17012 B11R0.111 COC(=O)CCOCC[C@@H](C)N 34a_100000706166_100000742370 [0,2,0,0,0,0|1,0,0]=3 17013 B11R0.111 COC(=O)CCSCCC(=O)C 62a_100000053229_100000204255 [0,2,0,0,0,0|1,0,1]=4 17014 B11R0.111 COC(=O)CCSCCC(=O)C 62a_100000204255_100000053229 [0,2,0,0,0,0|1,0,1]=4 17015 B11R0.111 COC(=O)CCSCCC(C)C 62a_100000204255_100000210312 [0,2,0,0,0,0|1,0,0]=3 17016 B11R0.111 COC(=O)CCSCCC(C)C 62a_100000210312_100000204255 [0,2,0,0,0,0|1,0,0]=3 17017 B11R0.111 COC(=O)CCSCCC(C)O 62a_100000204255_100012276601 [0,2,0,0,0,0|1,0,0]=3 17018 B11R0.111 COC(=O)CCSCCC(C)O 62a_100012276601_100000204255 [0,2,0,0,0,0|1,0,0]=3 17019 B11R0.111 COC(=O)CCSCCN(C)C 62a_100000204255_100000755713 [0,2,0,0,0,0|2,0,0]=4 17020 B11R0.111 COC(=O)CCSCOC(C)C 62a_100000204255_100000709892 [0,2,0,0,0,0|2,0,0]=4 17021 B11R0.111 COC(=O)CCSCOC(C)C 62a_100000709892_100000204255 [0,2,0,0,0,0|2,0,0]=4 17022 B11R0.111 COC(=O)CNCCCC(C)C 2230a_200000737386_100000747449 [0,2,0,0,0,0|1,0,0]=3 17023 B11R0.111 COC(=O)CNCCCC(C)C 34a_200000737386_100000747449 [0,2,0,0,0,0|1,0,0]=3 17024 B11R0.111 COC(=O)CNCCCS(=O)C 2230a_200000753449_100000747449 [0,2,0,0,0,0|2,0,0]=4 17025 B11R0.111 COC(=O)CNCCOC(C)C 2230a_100000701111_100000747449 [0,2,0,0,0,0|2,0,0]=4 17026 B11R0.111 COC(=O)CNCCOC(C)C 34a_100000701111_100000747449 [0,2,0,0,0,0|2,0,0]=4 17027 B11R0.111 COC(=O)CNCCSC(C)C 2230a_100000731138_100000747449 [0,2,0,0,0,0|2,0,0]=4 17028 B11R0.111 COC(=O)CNCCSC(C)C 34a_100000731138_100000747449 [0,2,0,0,0,0|2,0,0]=4 17029 B11R0.111 COC(=O)COCCCC(=O)C 34a_100000759063_100000747449 [0,2,0,0,0,0|1,0,1]=4 17030 B11R0.111 COC(=O)COCCCC(=O)C 7a_100000759063_100000747449 [0,2,0,0,0,0|1,0,1]=4 17031 B11R0.111 COC(=O)COCCCC(C)C 34a_100000210774_100000747449 [0,2,0,0,0,0|1,0,0]=3 17032 B11R0.111 COC(=O)COCCCC(C)C 7a_100000210774_100000747449 [0,2,0,0,0,0|1,0,0]=3 17033 B11R0.111 COC(=O)COCCNC(C)C 2230a_100138425928_100000090808 [0,2,0,0,0,0|2,0,0]=4 17034 B11R0.111 COC(=O)COCCNC(C)C 34a_100000224655_100000747449 [0,2,0,0,0,0|2,0,0]=4 17035 B11R0.111 COC(=O)COCCNC(C)C 34a_100138425928_100000090808 [0,2,0,0,0,0|2,0,0]=4 17036 B11R0.111 COC(=O)COCCOC(C)C 34a_100000211219_100000747449 [0,2,0,0,0,0|2,0,0]=4 17037 B11R0.111 COC(=O)COCCOC(C)C 34a_100000212225_100000090808 [0,2,0,0,0,0|2,0,0]=4 17038 B11R0.111 COC(=O)COCCOC(C)C 7a_100000211219_100000747449 [0,2,0,0,0,0|2,0,0]=4 17039 B11R0.111 COC(=O)COCCSC(C)C 34a_200011212901_100000747449 [0,2,0,0,0,0|2,0,0]=4 17040 B11R0.111 COC(=O)COCCSC(C)C 62a_100000090808_100000210206 [0,2,0,0,0,0|2,0,0]=4 17041 B11R0.111 COC(=O)COCCSC(C)C 62a_100000210206_100000090808 [0,2,0,0,0,0|2,0,0]=4 17042 B11R0.111 COC(=O)COCCSC(C)C 7a_200011212901_100000747449 [0,2,0,0,0,0|2,0,0]=4 17043 B11R0.111 COC(=O)CSCCCC(=O)C 62a_100000747449_100011215641 [0,2,0,0,0,0|1,0,1]=4 17044 B11R0.111 COC(=O)CSCCCC(=O)C 62a_100011215641_100000747449 [0,2,0,0,0,0|1,0,1]=4 17045 B11R0.111 COC(=O)CSCCCC(C)C 62a_100000747449_100011214892 [0,2,0,0,0,0|1,0,0]=3 17046 B11R0.111 COC(=O)CSCCCC(C)C 62a_100011214892_100000747449 [0,2,0,0,0,0|1,0,0]=3 17047 B11R0.111 COC(=O)CSCCCC(C)O 62a_100000747449_200000718107 [0,2,0,0,0,0|1,0,0]=3 17048 B11R0.111 COC(=O)CSCCCC(C)O 62a_200000718107_100000747449 [0,2,0,0,0,0|1,0,0]=3 17049 B11R0.111 COC(=O)CSCCCN(C)C 62a_100000747449_100000757444 [0,2,0,0,0,0|2,0,0]=4 17050 B11R0.111 COC(=O)CSCCOC(C)C 62a_100000211751_100000747449 [0,2,0,0,0,0|2,0,0]=4 17051 B11R0.111 COC(=O)CSCCOC(C)C 62a_100000747449_100000211751 [0,2,0,0,0,0|2,0,0]=4 17052 B11R0.111 COC(=O)CSCCSC(C)C 62a_100000730970_100000747449 [0,2,0,0,0,0|2,0,0]=4 17053 B11R0.111 COC(=O)CSCCSC(C)C 62a_100000747449_100000730970 [0,2,0,0,0,0|2,0,0]=4 17054 B11R0.111 COC(=O)NCCOCC(C)C 34a_100000757965_100000210624 [0,2,0,0,0,0|2,0,0]=4 17055 B11R0.111 COC(=O)NCCOCC(C)O 34a_100000757965_100011218427 [0,2,0,0,0,0|2,0,0]=4 17056 B11R0.111 COC(=O)NCCOC[C@@H](C)O 34a_100000757965_100009817552 [0,2,0,0,0,0|2,0,0]=4 17057 B11R0.111 COC(=O)OCCOCC(C)C 34a_100010262106_100000210624 [0,2,0,0,0,0|2,0,0]=4 17058 B11R0.111 COC(=O)OCCOCC(C)O 34a_100010262106_100011218427 [0,2,0,0,0,0|2,0,0]=4 17059 B11R0.111 COC(=O)OCCOC[C@@H](C)O 34a_100010262106_100009817552 [0,2,0,0,0,0|2,0,0]=4 17060 B11R0.111 COC(=O)OCSCCC(C)C 62a_100000210312_100000139417 [0,2,0,0,0,0|2,0,0]=4 17061 B11R0.111 COC(=O)OCSCCC(C)O 62a_100012276601_100000139417 [0,2,0,0,0,0|2,0,0]=4 17062 B11R0.111 C[C@@H](O)COCCCC(=O)NN 34a_100000211488_100009817552 [0,2,0,0,0,0|2,0,0]=4 17063 B11R0.111 NC(=O)CCCCCC(=O)CO 1458a_100000210174_100009817443 [0,2,0,0,0,0|1,0,1]=4 17064 B11R0.111 O=C(CF)CCCCC[N+](=O)[O-] 1458a_100000043470_100015361967 [0,2,0,0,0,0|2,0,0]=4 17065 B11R0.111 O=C(CO)CCCCCB(O)O 1458a_100000210174_200009817188 [0,2,0,0,0,0|2,0,0]=4 17066 B11R0.139 C=C(C)C(=O)C(C)CCCCC 1458a_100000185857_200011218191 [0,2,0,0,0,0|0,0,1]=3 17067 B11R0.139 C=C(C)C(=O)N(C)CCCCC 11a_100000223495_100000185857 [0,2,0,0,0,0|1,0,1]=4 17068 B11R0.139 C=C(C)C(=O)N(C)CCCCC 1626a_100000223495_100000185857 [0,2,0,0,0,0|1,0,1]=4 17069 B11R0.139 CC(C)C(=O)C(C)NCCCF 2230a_100015189416_100009893295 [0,2,0,0,0,0|2,0,0]=4 17070 B11R0.139 CC(C)C(=O)C(C)SCCCF 62a_100009893295_100011934791 [0,2,0,0,0,0|2,0,0]=4 17071 B11R0.139 CC(C)C(=O)C(C)SCCCF 62a_100011934791_100009893295 [0,2,0,0,0,0|2,0,0]=4 17072 B11R0.139 CC(C)C(=O)C(C)SCCCO 62a_100009893295_100011215043 [0,2,0,0,0,0|2,0,0]=4 17073 B11R0.139 CC(C)C(=O)C(C)SCCCO 62a_100011215043_100009893295 [0,2,0,0,0,0|2,0,0]=4 17074 B11R0.139 CC(C)C(=O)N(C)CCCCO 240690a_100000717598_100000210198 [0,2,0,0,0,0|2,0,0]=4 17075 B11R0.139 CC(F)C(=O)N(C)CCCCO 240690a_100000717598_100000062450 [0,2,0,0,0,0|2,0,0]=4 17076 B11R0.139 CCCCCC(=O)C(=O)N(C)C 1458a_100011218876_100000210326 [0,2,0,0,0,0|1,0,1]=4 17077 B11R0.139 CCCCCC(C)C(=O)C(C)C 1458a_100000210198_200011218191 [0,2,0,0,0,0|0,0,0]=2 17078 B11R0.139 CCCCCC(C)C(=O)C(C)C 1458a_100011215998_100000210206 [0,2,0,0,0,0|0,0,0]=2 17079 B11R0.139 CCCCCC(C)C(=O)C(C)F 1458a_100000062450_200011218191 [0,2,0,0,0,0|0,0,0]=2 17080 B11R0.139 CCCCCC(C)C(=O)C(O)O 1458a_100000233687_200011218191 [0,2,0,0,0,0|1,0,0]=3 17081 B11R0.139 CCCCCC(C)C(=O)N(C)C 11a_100102631434_100011215998 [0,2,0,0,0,0|1,0,0]=3 17082 B11R0.139 CCCCCC(C)C(=O)N(C)C 1626a_100102631434_100011215998 [0,2,0,0,0,0|1,0,0]=3 17083 B11R0.139 CCCCCC(C)C(=O)N(C)C 240690a_100102631434_100011215998 [0,2,0,0,0,0|1,0,0]=3 17084 B11R0.139 CCCCCC(C)C(=O)N(C)C 527a_100102631434_100011215998 [0,2,0,0,0,0|1,0,0]=3 17085 B11R0.139 CCCCCC(C)C(=O)[C@@H](C)O 1458a_100000717761_200011218191 [0,2,0,0,0,0|0,0,0]=2 17086 B11R0.139 CCCCCC(C)C(=O)[C@H](C)O 1458a_217856618621_200011218191 [0,2,0,0,0,0|0,0,0]=2 17087 B11R0.139 CCCCCC(C)N(C)C(C)C 269982a_200000211004_200011218191 [0,2,0,0,0,0|2,0,0]=4 17088 B11R0.139 CCCCCC(C)N(C)C(C)C 270004a_200000211004_100000211708 [0,2,0,0,0,0|2,0,0]=4 17089 B11R0.139 CCCCCN(C)C(=O)C(C)C 11a_100000223495_100000210198 [0,2,0,0,0,0|1,0,0]=3 17090 B11R0.139 CCCCCN(C)C(=O)C(C)C 1626a_100000223495_100000210198 [0,2,0,0,0,0|1,0,0]=3 17091 B11R0.139 CCCCCN(C)C(=O)C(C)C 240690a_100000223495_100000210198 [0,2,0,0,0,0|1,0,0]=3 17092 B11R0.139 CCCCCN(C)C(=O)C(C)C 527a_100000223495_100000210198 [0,2,0,0,0,0|1,0,0]=3 17093 B11R0.139 CCCCCN(C)C(=O)C(C)F 11a_100000223495_100000062450 [0,2,0,0,0,0|1,0,0]=3 17094 B11R0.139 CCCCCN(C)C(=O)C(C)F 1626a_100000223495_100000062450 [0,2,0,0,0,0|1,0,0]=3 17095 B11R0.139 CCCCCN(C)C(=O)C(C)F 240690a_100000223495_100000062450 [0,2,0,0,0,0|1,0,0]=3 17096 B11R0.139 CCCCCN(C)C(=O)C(C)F 527a_100000223495_100000062450 [0,2,0,0,0,0|1,0,0]=3 17097 B11R0.139 CCCCCN(C)C(=O)C(F)F 11a_100000223495_100000210393 [0,2,0,0,0,0|2,0,0]=4 17098 B11R0.139 CCCCCN(C)C(=O)C(F)F 1626a_100000223495_100000210393 [0,2,0,0,0,0|2,0,0]=4 17099 B11R0.139 CCCCCN(C)C(=O)C(F)F 240690a_100000223495_100000210393 [0,2,0,0,0,0|2,0,0]=4 17100 B11R0.139 CCCCCN(C)C(=O)C(F)F 527a_100000223495_100000210393 [0,2,0,0,0,0|2,0,0]=4 17101 B11R0.139 CCCCCN(C)C(=O)C(O)O 240690a_100000223495_100000233687 [0,2,0,0,0,0|2,0,0]=4 17102 B11R0.139 CCCCCN(C)C(=O)[C@@H](C)O 240690a_100000223495_100000717761 [0,2,0,0,0,0|1,0,0]=3 17103 B11R0.139 CCCCCN(C)C(=O)[C@H](C)O 1626a_100000223495_217856618621 [0,2,0,0,0,0|1,0,0]=3 17104 B11R0.139 CCCCCN(C)C(=O)[C@H](C)O 240690a_100000223495_217856618621 [0,2,0,0,0,0|1,0,0]=3 17105 B11R0.139 CCCCNC(C)C(=O)C(C)C 2230a_100000102301_100009893295 [0,2,0,0,0,0|1,0,0]=3 17106 B11R0.139 CCCCNC(C)C(=O)C(C)C 7a_106832991798_100009893295 [0,2,0,0,0,0|1,0,0]=3 17107 B11R0.139 CCCCNC(C)C(=O)N(C)C 2230a_100000102301_100000209910 [0,2,0,0,0,0|2,0,0]=4 17108 B11R0.139 CCCCNC(C)C(=O)N(C)C 7a_106832991798_100000209910 [0,2,0,0,0,0|2,0,0]=4 17109 B11R0.139 CCCCN[C@@H](C)C(=O)N(C)C 2230a_100000697320_100000210211 [0,2,0,0,0,0|2,0,0]=4 17110 B11R0.139 CCCCN[C@@H](C)C(=O)N(C)C 34a_100000697320_100000210210 [0,2,0,0,0,0|2,0,0]=4 17111 B11R0.139 CCCCOC(C)C(=O)C(C)C 7a_100000210227_100009893295 [0,2,0,0,0,0|1,0,0]=3 17112 B11R0.139 CCCCOC(C)C(=O)N(C)C 7a_100000210227_100000209910 [0,2,0,0,0,0|2,0,0]=4 17113 B11R0.139 CCCCSC(C)C(=O)C(C)C 1458a_100000191163_100000210206 [0,2,0,0,0,0|1,0,0]=3 17114 B11R0.139 CCCCSC(C)C(=O)C(C)C 62a_100000210211_100009893295 [0,2,0,0,0,0|1,0,0]=3 17115 B11R0.139 CCCCSC(C)C(=O)C(C)C 62a_100009893295_100000210210 [0,2,0,0,0,0|1,0,0]=3 17116 B11R0.139 CCCCSC(C)C(=O)N(C)C 11a_100102631434_100000191163 [0,2,0,0,0,0|2,0,0]=4 17117 B11R0.139 CCCCSC(C)C(=O)N(C)C 1626a_100102631434_100000191163 [0,2,0,0,0,0|2,0,0]=4 17118 B11R0.139 CCCCSC(C)C(=O)N(C)C 240690a_100102631434_100000191163 [0,2,0,0,0,0|2,0,0]=4 17119 B11R0.139 CCCCSC(C)C(=O)N(C)C 527a_100102631434_100000191163 [0,2,0,0,0,0|2,0,0]=4 17120 B11R0.139 CCCCSC(C)C(=O)N(C)C 62a_100000209910_100000210210 [0,2,0,0,0,0|2,0,0]=4 17121 B11R0.139 CCCCSC(C)C(=O)N(C)C 62a_100000210211_100000209910 [0,2,0,0,0,0|2,0,0]=4 17122 B11R0.139 CCOCSC(C)C(=O)C(C)C 62a_100000739092_100009893295 [0,2,0,0,0,0|2,0,0]=4 17123 B11R0.139 CCOCSC(C)C(=O)C(C)C 62a_100009893295_100000739092 [0,2,0,0,0,0|2,0,0]=4 17124 B11R0.139 COCCCN(C)C(=O)C(C)C 11a_100000224831_100000210198 [0,2,0,0,0,0|2,0,0]=4 17125 B11R0.139 COCCCN(C)C(=O)C(C)C 1626a_100000224831_100000210198 [0,2,0,0,0,0|2,0,0]=4 17126 B11R0.139 COCCCN(C)C(=O)C(C)C 240690a_100000224831_100000210198 [0,2,0,0,0,0|2,0,0]=4 17127 B11R0.139 COCCCN(C)C(=O)C(C)C 527a_100000224831_100000210198 [0,2,0,0,0,0|2,0,0]=4 17128 B11R0.139 COCCCN(C)C(=O)C(C)F 11a_100000224831_100000062450 [0,2,0,0,0,0|2,0,0]=4 17129 B11R0.139 COCCCN(C)C(=O)C(C)F 1626a_100000224831_100000062450 [0,2,0,0,0,0|2,0,0]=4 17130 B11R0.139 COCCCN(C)C(=O)C(C)F 240690a_100000224831_100000062450 [0,2,0,0,0,0|2,0,0]=4 17131 B11R0.139 COCCCN(C)C(=O)C(C)F 527a_100000224831_100000062450 [0,2,0,0,0,0|2,0,0]=4 17132 B11R0.139 COCCCN(C)C(=O)[C@@H](C)O 240690a_100000224831_100000717761 [0,2,0,0,0,0|2,0,0]=4 17133 B11R0.139 COCCCN(C)C(=O)[C@H](C)O 1626a_100000224831_217856618621 [0,2,0,0,0,0|2,0,0]=4 17134 B11R0.139 COCCCN(C)C(=O)[C@H](C)O 240690a_100000224831_217856618621 [0,2,0,0,0,0|2,0,0]=4 17135 B11R0.139 COCCNC(C)C(=O)C(C)C 2230a_100000209980_100009893295 [0,2,0,0,0,0|2,0,0]=4 17136 B11R0.139 COCCSC(C)C(=O)C(C)C 62a_100000233755_100009893295 [0,2,0,0,0,0|2,0,0]=4 17137 B11R0.139 COCCSC(C)C(=O)C(C)C 62a_100009893295_100000233755 [0,2,0,0,0,0|2,0,0]=4 17138 B11R0.139 CSCCNC(C)C(=O)C(C)C 2230a_100020590264_100009893295 [0,2,0,0,0,0|2,0,0]=4 17139 B11R0.139 CSCCOC(C)C(=O)C(C)C 7a_100000230434_100009893295 [0,2,0,0,0,0|2,0,0]=4 17140 B11R0.139 CSCCSC(C)C(=O)C(C)C 62a_100000212216_100009893295 [0,2,0,0,0,0|2,0,0]=4 17141 B11R0.139 CSCCSC(C)C(=O)C(C)C 62a_100009893295_100000751147 [0,2,0,0,0,0|2,0,0]=4 17142 B11R0.139 C[C@@H](O)C(=O)N(C)CCCCO 240690a_100000717598_100000717761 [0,2,0,0,0,0|2,0,0]=4 17143 B11R0.139 C[C@H](O)C(=O)N(C)CCCCO 240690a_100000717598_217856618621 [0,2,0,0,0,0|2,0,0]=4 17144 B11R0.141 CC(C)C(=O)CN[C@H](C)CCO 2230a_100000706166_100000753385 [0,2,0,0,0,0|2,0,0]=4 17145 B11R0.141 CC(C)C(=O)CN[C@H](C)CCO 34a_100000706166_100000753385 [0,2,0,0,0,0|2,0,0]=4 17146 B11R0.141 CC(CCBr)OCC(=O)C(C)C 34a_100012276601_100000753385 [0,2,0,0,0,0|2,0,0]=4 17147 B11R0.141 CC(CCO)SCC(=O)C(C)C 62a_100000753385_100009893172 [0,2,0,0,0,0|2,0,0]=4 17148 B11R0.141 CC(CCO)SCC(=O)C(C)C 62a_100009893172_100000753385 [0,2,0,0,0,0|2,0,0]=4 17149 B11R0.141 CCCC(=O)CCC(=O)N(C)C 1458a_100011200748_100000210303 [0,2,0,0,0,0|1,0,1]=4 17150 B11R0.141 CCCC(=O)CNC(=O)C(C)C 1458a_100000194582_100000210303 [0,2,0,0,0,0|1,0,1]=4 17151 B11R0.141 CCCC(=O)COC(=O)C(C)C 1458a_100000211992_100000139345 [0,2,0,0,0,0|1,0,1]=4 17152 B11R0.141 CCCC(=O)OCC(=O)C(C)C 1458a_100000210198_100000034017 [0,2,0,0,0,0|1,0,1]=4 17153 B11R0.141 CCCC(=O)OCC(=O)C(C)F 1458a_100000062450_100000034017 [0,2,0,0,0,0|1,0,1]=4 17154 B11R0.141 CCCC(=O)OCC(=O)[C@@H](C)O 1458a_100000717761_100000034017 [0,2,0,0,0,0|1,0,1]=4 17155 B11R0.141 CCCC(=O)OCC(=O)[C@H](C)O 1458a_217856618621_100000034017 [0,2,0,0,0,0|1,0,1]=4 17156 B11R0.141 CCCC(C)NCC(=O)C(C)C 2230a_100000741246_100000753385 [0,2,0,0,0,0|1,0,0]=3 17157 B11R0.141 CCCC(C)NCC(=O)N(C)C 2230a_100000741246_100000185267 [0,2,0,0,0,0|2,0,0]=4 17158 B11R0.141 CCCC(C)NCC(=O)N(C)C 2230a_100015183351_100000766640 [0,2,0,0,0,0|2,0,0]=4 17159 B11R0.141 CCCC(C)NCC(=O)N(C)C 270004a_100015183351_100000211909 [0,2,0,0,0,0|2,0,0]=4 17160 B11R0.141 CCCC(C)OCC(=O)C(=O)C 34a_100000764384_100011261029 [0,2,0,0,0,0|1,0,1]=4 17161 B11R0.141 CCCC(C)OCC(=O)C(C)C 34a_100000764384_100000753385 [0,2,0,0,0,0|1,0,0]=3 17162 B11R0.141 CCCC(C)OCC(=O)C(C)C 7a_100000764384_100000753385 [0,2,0,0,0,0|1,0,0]=3 17163 B11R0.141 CCCC(C)OCC(=O)N(C)C 34a_100000764384_100000692301 [0,2,0,0,0,0|2,0,0]=4 17164 B11R0.141 CCCC(C)OCC(=O)N(C)C 7a_100000764384_100000692301 [0,2,0,0,0,0|2,0,0]=4 17165 B11R0.141 CCCC(C)SCC(=O)C(=O)C 62a_100000766640_100011261029 [0,2,0,0,0,0|1,0,1]=4 17166 B11R0.141 CCCC(C)SCC(=O)C(=O)C 62a_100011261029_100000766640 [0,2,0,0,0,0|1,0,1]=4 17167 B11R0.141 CCCC(C)SCC(=O)C(C)C 62a_100000753385_100000766640 [0,2,0,0,0,0|1,0,0]=3 17168 B11R0.141 CCCC(C)SCC(=O)C(C)C 62a_100000766640_100000753385 [0,2,0,0,0,0|1,0,0]=3 17169 B11R0.141 CCCC(C)SCC(=O)N(C)C 62a_100000692301_100000766640 [0,2,0,0,0,0|2,0,0]=4 17170 B11R0.141 CCCC(C)SCC(=O)N(C)C 62a_100000766640_100000692301 [0,2,0,0,0,0|2,0,0]=4 17171 B11R0.141 CCCN(C)CCC(=O)N(C)C 2230a_100000747261_100000737620 [0,2,0,0,0,0|2,0,0]=4 17172 B11R0.141 CCCN(C)CCC(=O)N(C)C 269982a_100000747261_100000737620 [0,2,0,0,0,0|2,0,0]=4 17173 B11R0.141 CCNC(=O)CCC(=O)C(C)C 1458a_100000199579_100000210206 [0,2,0,0,0,0|1,0,1]=4 17174 B11R0.141 CCOC(=O)CCC(=O)C(C)C 1458a_100000183558_100000210206 [0,2,0,0,0,0|1,0,1]=4 17175 B11R0.141 COCC(C)SCC(=O)C(C)C 62a_100000753385_100000765312 [0,2,0,0,0,0|2,0,0]=4 17176 B11R0.141 COCC(C)SCC(=O)C(C)C 62a_100000765312_100000753385 [0,2,0,0,0,0|2,0,0]=4 17177 B11R0.141 COCC(O)CNC(=O)C(C)C 240690a_100000756049_100000210198 [0,2,0,0,0,0|2,0,0]=4 17178 B11R0.141 COCC(O)CNC(=O)C(C)C 527a_100000756049_100000210198 [0,2,0,0,0,0|2,0,0]=4 17179 B11R0.141 COCC(O)CNC(=O)C(C)F 240690a_100000756049_100000062450 [0,2,0,0,0,0|2,0,0]=4 17180 B11R0.141 COCC(O)CNC(=O)C(C)F 527a_100000756049_100000062450 [0,2,0,0,0,0|2,0,0]=4 17181 B11R0.141 COCC(O)CNC(=O)[C@@H](C)O 240690a_100000756049_100000717761 [0,2,0,0,0,0|2,0,0]=4 17182 B11R0.141 COCC(O)CNC(=O)[C@H](C)O 240690a_100000756049_217856618621 [0,2,0,0,0,0|2,0,0]=4 17183 B11R0.141 COC[C@@H](C)NCC(=O)C(C)C 2230a_100000764878_100000753385 [0,2,0,0,0,0|2,0,0]=4 17184 B11R0.141 COC[C@@H](C)OCC(=O)C(C)C 34a_100011934205_100000753385 [0,2,0,0,0,0|2,0,0]=4 17185 B11R0.151 C#CCCCCC(=O)C(C)(C)C 1458a_106744555173_100010269958 [0,2,0,0,0,0|0,0,2]=4 17186 B11R0.151 C#CCCCCC(=O)C(C)(C)F 1458a_100000765255_100010269958 [0,2,0,0,0,0|0,0,2]=4 17187 B11R0.151 C#CCCCCC(=O)C(C)(C)O 1458a_100000242741_100010269958 [0,2,0,0,0,0|0,0,2]=4 17188 B11R0.151 C=CCCCCC(=O)C(C)(C)C 1458a_106744555173_100011215482 [0,2,0,0,0,0|0,0,2]=4 17189 B11R0.151 C=CCCCCC(=O)C(C)(C)F 1458a_100000765255_100011215482 [0,2,0,0,0,0|0,0,2]=4 17190 B11R0.151 C=CCCCCC(=O)C(C)(C)O 1458a_100000242741_100011215482 [0,2,0,0,0,0|0,0,2]=4 17191 B11R0.151 CC(C)(C)C(=O)CCCCC#N 1458a_106744555173_100000211819 [0,2,0,0,0,0|1,0,1]=4 17192 B11R0.151 CC(C)(C)C(=O)CCCCCF 1458a_106744555173_100000729378 [0,2,0,0,0,0|1,0,0]=3 17193 B11R0.151 CC(C)(C)C(=O)CCCCCO 1458a_106744555173_100000746330 [0,2,0,0,0,0|1,0,0]=3 17194 B11R0.151 CC(C)(C)C(=O)CCOCCO 1458a_106744555173_100011215305 [0,2,0,0,0,0|2,0,0]=4 17195 B11R0.151 CC(C)(C)C(=O)CNCCCF 34a_100015189416_100000229897 [0,2,0,0,0,0|2,0,0]=4 17196 B11R0.151 CC(C)(C)C(=O)COCCCBr 34a_100011217188_100000229897 [0,2,0,0,0,0|2,0,0]=4 17197 B11R0.151 CC(C)(C)C(=O)COCCCCl 34a_100000230001_100000229897 [0,2,0,0,0,0|2,0,0]=4 17198 B11R0.151 CC(C)(C)C(=O)COCCCF 34a_100000759539_100000229897 [0,2,0,0,0,0|2,0,0]=4 17199 B11R0.151 CC(C)(C)C(=O)COCCCF 34a_200011592769_100011934791 [0,2,0,0,0,0|2,0,0]=4 17200 B11R0.151 CC(C)(C)C(=O)COCCCF 7a_200011592769_100011934791 [0,2,0,0,0,0|2,0,0]=4 17201 B11R0.151 CC(C)(C)C(=O)COCCCN 34a_100000182051_100000229897 [0,2,0,0,0,0|2,0,0]=4 17202 B11R0.151 CC(C)(C)C(=O)COCCCO 34a_200011592769_100000230001 [0,2,0,0,0,0|2,0,0]=4 17203 B11R0.151 CC(C)(C)C(=O)COCCCO 7a_200011592769_100011215043 [0,2,0,0,0,0|2,0,0]=4 17204 B11R0.151 CC(C)(C)C(=O)CSCCCF 62a_100000210923_100011934791 [0,2,0,0,0,0|2,0,0]=4 17205 B11R0.151 CC(C)(C)C(=O)CSCCCF 62a_100011934791_100000210923 [0,2,0,0,0,0|2,0,0]=4 17206 B11R0.151 CC(C)(C)C(=O)CSCCCO 62a_100000210923_100011215043 [0,2,0,0,0,0|2,0,0]=4 17207 B11R0.151 CC(C)(C)C(=O)CSCCCO 62a_100011215043_100000210923 [0,2,0,0,0,0|2,0,0]=4 17208 B11R0.151 CC(C)(C)C(=O)NCCCCO 240690a_100000750430_106744555173 [0,2,0,0,0,0|2,0,0]=4 17209 B11R0.151 CC(C)(C)C(=O)NCCCCO 527a_100000750430_106744555173 [0,2,0,0,0,0|2,0,0]=4 17210 B11R0.151 CC(C)(F)C(=O)CCCCC#N 1458a_100000765255_100000211819 [0,2,0,0,0,0|1,0,1]=4 17211 B11R0.151 CC(C)(F)C(=O)CCCCCF 1458a_100000765255_100000729378 [0,2,0,0,0,0|1,0,0]=3 17212 B11R0.151 CC(C)(F)C(=O)CCCCCO 1458a_100000765255_100000746330 [0,2,0,0,0,0|1,0,0]=3 17213 B11R0.151 CC(C)(F)C(=O)CCOCCO 1458a_100000765255_100011215305 [0,2,0,0,0,0|2,0,0]=4 17214 B11R0.151 CC(C)(F)C(=O)NCCCCO 240690a_100000750430_100000765255 [0,2,0,0,0,0|2,0,0]=4 17215 B11R0.151 CC(C)(F)C(=O)NCCCCO 527a_100000750430_100000765255 [0,2,0,0,0,0|2,0,0]=4 17216 B11R0.151 CC(C)(O)C(=O)CCCCC#N 1458a_100000242741_100000211819 [0,2,0,0,0,0|1,0,1]=4 17217 B11R0.151 CC(C)(O)C(=O)CCCCCF 1458a_100000242741_100000729378 [0,2,0,0,0,0|1,0,0]=3 17218 B11R0.151 CC(C)(O)C(=O)CCCCCO 1458a_100000242741_100000746330 [0,2,0,0,0,0|1,0,0]=3 17219 B11R0.151 CC(C)(O)C(=O)CCOCCO 1458a_100000242741_100011215305 [0,2,0,0,0,0|2,0,0]=4 17220 B11R0.151 CC(C)(O)C(=O)NCCCCO 240690a_100000750430_100000242741 [0,2,0,0,0,0|2,0,0]=4 17221 B11R0.151 CC(F)(F)C(=O)NCCCCO 240690a_100000750430_100000042251 [0,2,0,0,0,0|2,0,0]=4 17222 B11R0.151 CC(F)(F)C(=O)NCCCCO 527a_100000750430_100000042251 [0,2,0,0,0,0|2,0,0]=4 17223 B11R0.151 CC/C=C\CCC(=O)C(C)(C)C 1458a_106744555173_100015370543 [0,2,0,0,0,0|0,0,2]=4 17224 B11R0.151 CC/C=C\CCC(=O)C(C)(C)F 1458a_100000765255_100015370543 [0,2,0,0,0,0|0,0,2]=4 17225 B11R0.151 CC/C=C\CCC(=O)C(C)(C)O 1458a_100000242741_100015370543 [0,2,0,0,0,0|0,0,2]=4 17226 B11R0.151 CCCCCCC(=O)C(C)(C)C 1458a_106744555173_100000210757 [0,2,0,0,0,0|0,0,0]=2 17227 B11R0.151 CCCCCCC(=O)C(C)(C)F 1458a_100000765255_100000210757 [0,2,0,0,0,0|0,0,0]=2 17228 B11R0.151 CCCCCCC(=O)C(C)(C)O 1458a_100000242741_100000210757 [0,2,0,0,0,0|0,0,0]=2 17229 B11R0.151 CCCCCCC(=O)C(F)(F)F 1458a_100015355933_100000210757 [0,2,0,0,0,0|1,0,0]=3 17230 B11R0.151 CCCCCCC(=O)C(F)(F)F 1458a_100102632555_200000243211 [0,2,0,0,0,0|1,0,0]=3 17231 B11R0.151 CCCCCCN(C)C(C)(C)C 269982a_100011215553_100000210757 [0,2,0,0,0,0|2,0,0]=4 17232 B11R0.151 CCCCCCN(C)C(C)(C)C 269982a_106256046315_100000210625 [0,2,0,0,0,0|2,0,0]=4 17233 B11R0.151 CCCCCNC(=O)C(C)(C)C 11a_100000209983_106744555173 [0,2,0,0,0,0|1,0,0]=3 17234 B11R0.151 CCCCCNC(=O)C(C)(C)C 1626a_100000209983_106744555173 [0,2,0,0,0,0|1,0,0]=3 17235 B11R0.151 CCCCCNC(=O)C(C)(C)C 240690a_100000209983_106744555173 [0,2,0,0,0,0|1,0,0]=3 17236 B11R0.151 CCCCCNC(=O)C(C)(C)C 527a_100000209983_106744555173 [0,2,0,0,0,0|1,0,0]=3 17237 B11R0.151 CCCCCNC(=O)C(C)(C)F 11a_100000209983_100000765255 [0,2,0,0,0,0|1,0,0]=3 17238 B11R0.151 CCCCCNC(=O)C(C)(C)F 1626a_100000209983_100000765255 [0,2,0,0,0,0|1,0,0]=3 17239 B11R0.151 CCCCCNC(=O)C(C)(C)F 240690a_100000209983_100000765255 [0,2,0,0,0,0|1,0,0]=3 17240 B11R0.151 CCCCCNC(=O)C(C)(C)F 527a_100000209983_100000765255 [0,2,0,0,0,0|1,0,0]=3 17241 B11R0.151 CCCCCNC(=O)C(C)(C)O 240690a_100000209983_100000242741 [0,2,0,0,0,0|1,0,0]=3 17242 B11R0.151 CCCCCNC(=O)C(C)(F)F 11a_100000209983_100000042251 [0,2,0,0,0,0|1,0,0]=3 17243 B11R0.151 CCCCCNC(=O)C(C)(F)F 1626a_100000209983_100000042251 [0,2,0,0,0,0|1,0,0]=3 17244 B11R0.151 CCCCCNC(=O)C(C)(F)F 240690a_100000209983_100000042251 [0,2,0,0,0,0|1,0,0]=3 17245 B11R0.151 CCCCCNC(=O)C(C)(F)F 527a_100000209983_100000042251 [0,2,0,0,0,0|1,0,0]=3 17246 B11R0.151 CCCCCNC(=O)C(F)(F)F 11a_100000209983_100015355933 [0,2,0,0,0,0|2,0,0]=4 17247 B11R0.151 CCCCCNC(=O)C(F)(F)F 1626a_100000209983_100015355933 [0,2,0,0,0,0|2,0,0]=4 17248 B11R0.151 CCCCCNC(=O)C(F)(F)F 240690a_100000209983_100015355933 [0,2,0,0,0,0|2,0,0]=4 17249 B11R0.151 CCCCCNC(=O)C(F)(F)F 527a_100000209983_100000210220 [0,2,0,0,0,0|2,0,0]=4 17250 B11R0.151 CCCCNCC(=O)C(C)(C)C 7a_106832991798_100000210923 [0,2,0,0,0,0|1,0,0]=3 17251 B11R0.151 CCCCNNC(=O)C(C)(C)C 22a_100025702795_106744555173 [0,2,0,0,0,0|2,0,0]=4 17252 B11R0.151 CCCCNNC(=O)C(C)(C)F 22a_100025702795_100000765255 [0,2,0,0,0,0|2,0,0]=4 17253 B11R0.151 CCCCNNC(=O)C(C)(C)O 22a_100025702795_100000242741 [0,2,0,0,0,0|2,0,0]=4 17254 B11R0.151 CCCCNNC(=O)C(C)(F)F 22a_100025702795_100000042251 [0,2,0,0,0,0|2,0,0]=4 17255 B11R0.151 CCCCOCC(=O)C(C)(C)C 1458a_106744555173_100011995733 [0,2,0,0,0,0|1,0,0]=3 17256 B11R0.151 CCCCOCC(=O)C(C)(C)C 34a_100000210227_100000229897 [0,2,0,0,0,0|1,0,0]=3 17257 B11R0.151 CCCCOCC(=O)C(C)(C)C 34a_200011592769_100000210210 [0,2,0,0,0,0|1,0,0]=3 17258 B11R0.151 CCCCOCC(=O)C(C)(C)C 7a_100000210227_100000210923 [0,2,0,0,0,0|1,0,0]=3 17259 B11R0.151 CCCCOCC(=O)C(C)(C)C 7a_200011592769_100000210211 [0,2,0,0,0,0|1,0,0]=3 17260 B11R0.151 CCCCOCC(=O)C(C)(C)F 1458a_100000765255_100011995733 [0,2,0,0,0,0|1,0,0]=3 17261 B11R0.151 CCCCOCC(=O)C(C)(C)O 1458a_100000242741_100011995733 [0,2,0,0,0,0|1,0,0]=3 17262 B11R0.151 CCCCOCC(=O)C(F)(F)F 1458a_100000757543_200000243211 [0,2,0,0,0,0|2,0,0]=4 17263 B11R0.151 CCCCOCC(=O)C(F)(F)F 1458a_100015355933_100011995733 [0,2,0,0,0,0|2,0,0]=4 17264 B11R0.151 CCCCOCC(=O)C(F)(F)F 34a_100000210227_100000002480 [0,2,0,0,0,0|2,0,0]=4 17265 B11R0.151 CCCCSCC(=O)C(C)(C)C 62a_100000210211_100000210923 [0,2,0,0,0,0|1,0,0]=3 17266 B11R0.151 CCCCSCC(=O)C(C)(C)C 62a_100000210923_100000210210 [0,2,0,0,0,0|1,0,0]=3 17267 B11R0.151 CCCCSCC(=O)C(F)(F)F 1458a_100000191162_200000243211 [0,2,0,0,0,0|2,0,0]=4 17268 B11R0.151 CCCCSCC(=O)C(F)(F)F 62a_100000002480_100000210210 [0,2,0,0,0,0|2,0,0]=4 17269 B11R0.151 CCCCSCC(=O)C(F)(F)F 62a_100000210211_100000002480 [0,2,0,0,0,0|2,0,0]=4 17270 B11R0.151 CCCOCCC(=O)C(C)(C)C 1458a_106744555173_100011215938 [0,2,0,0,0,0|1,0,0]=3 17271 B11R0.151 CCCOCCC(=O)C(C)(C)F 1458a_100000765255_100011215938 [0,2,0,0,0,0|1,0,0]=3 17272 B11R0.151 CCCOCCC(=O)C(C)(C)O 1458a_100000242741_100011215938 [0,2,0,0,0,0|1,0,0]=3 17273 B11R0.151 CCCOCCC(=O)C(F)(F)F 1458a_100015355933_100011215938 [0,2,0,0,0,0|2,0,0]=4 17274 B11R0.151 CCCSCOC(=O)C(C)(C)C 62a_100000032063_100000210303 [0,2,0,0,0,0|2,0,0]=4 17275 B11R0.151 CCCSCOC(=O)C(C)(C)C 62a_100000210303_100000032063 [0,2,0,0,0,0|2,0,0]=4 17276 B11R0.151 CCOCCCC(=O)C(C)(C)C 1458a_106744555173_100012232248 [0,2,0,0,0,0|1,0,0]=3 17277 B11R0.151 CCOCCCC(=O)C(C)(C)F 1458a_100000765255_100012232248 [0,2,0,0,0,0|1,0,0]=3 17278 B11R0.151 CCOCCCC(=O)C(C)(C)O 1458a_100000242741_100012232248 [0,2,0,0,0,0|1,0,0]=3 17279 B11R0.151 CCOCCCC(=O)C(F)(F)F 1458a_100015355933_100012232248 [0,2,0,0,0,0|2,0,0]=4 17280 B11R0.151 CCOCCNC(=O)C(C)(C)C 11a_100011200944_106744555173 [0,2,0,0,0,0|2,0,0]=4 17281 B11R0.151 CCOCCNC(=O)C(C)(C)C 1626a_102516460346_106744555173 [0,2,0,0,0,0|2,0,0]=4 17282 B11R0.151 CCOCCNC(=O)C(C)(C)C 240690a_100011200944_106744555173 [0,2,0,0,0,0|2,0,0]=4 17283 B11R0.151 CCOCCNC(=O)C(C)(C)C 527a_100011200944_106744555173 [0,2,0,0,0,0|2,0,0]=4 17284 B11R0.151 CCOCCNC(=O)C(C)(C)F 11a_100011200944_100000765255 [0,2,0,0,0,0|2,0,0]=4 17285 B11R0.151 CCOCCNC(=O)C(C)(C)F 1626a_102516460346_100000765255 [0,2,0,0,0,0|2,0,0]=4 17286 B11R0.151 CCOCCNC(=O)C(C)(C)F 240690a_100011200944_100000765255 [0,2,0,0,0,0|2,0,0]=4 17287 B11R0.151 CCOCCNC(=O)C(C)(C)F 527a_100011200944_100000765255 [0,2,0,0,0,0|2,0,0]=4 17288 B11R0.151 CCOCCNC(=O)C(C)(C)O 240690a_100011200944_100000242741 [0,2,0,0,0,0|2,0,0]=4 17289 B11R0.151 CCOCCNC(=O)C(C)(F)F 11a_100011200944_100000042251 [0,2,0,0,0,0|2,0,0]=4 17290 B11R0.151 CCOCCNC(=O)C(C)(F)F 1626a_102516460346_100000042251 [0,2,0,0,0,0|2,0,0]=4 17291 B11R0.151 CCOCCNC(=O)C(C)(F)F 240690a_100011200944_100000042251 [0,2,0,0,0,0|2,0,0]=4 17292 B11R0.151 CCOCCNC(=O)C(C)(F)F 527a_100011200944_100000042251 [0,2,0,0,0,0|2,0,0]=4 17293 B11R0.151 CCOCCOC(=O)C(C)(C)Br 34a_100009817195_100000210202 [0,2,0,0,0,0|2,0,0]=4 17294 B11R0.151 CCOCCOC(=O)C(C)(C)Br 7a_100009817195_100000210202 [0,2,0,0,0,0|2,0,0]=4 17295 B11R0.151 CCOCSCC(=O)C(C)(C)C 62a_100000210923_100000739092 [0,2,0,0,0,0|2,0,0]=4 17296 B11R0.151 CCOCSCC(=O)C(C)(C)C 62a_100000739092_100000210923 [0,2,0,0,0,0|2,0,0]=4 17297 B11R0.151 CCSCCNC(=O)C(C)(C)C 11a_100000106463_106744555173 [0,2,0,0,0,0|2,0,0]=4 17298 B11R0.151 CCSCCNC(=O)C(C)(C)C 1626a_100000106463_106744555173 [0,2,0,0,0,0|2,0,0]=4 17299 B11R0.151 CCSCCNC(=O)C(C)(C)C 240690a_100000106463_106744555173 [0,2,0,0,0,0|2,0,0]=4 17300 B11R0.151 CCSCCNC(=O)C(C)(C)C 527a_100000106463_106744555173 [0,2,0,0,0,0|2,0,0]=4 17301 B11R0.151 CCSCCNC(=O)C(C)(C)F 11a_100000106463_100000765255 [0,2,0,0,0,0|2,0,0]=4 17302 B11R0.151 CCSCCNC(=O)C(C)(C)F 1626a_100000106463_100000765255 [0,2,0,0,0,0|2,0,0]=4 17303 B11R0.151 CCSCCNC(=O)C(C)(C)F 240690a_100000106463_100000765255 [0,2,0,0,0,0|2,0,0]=4 17304 B11R0.151 CCSCCNC(=O)C(C)(C)F 527a_100000106463_100000765255 [0,2,0,0,0,0|2,0,0]=4 17305 B11R0.151 CCSCCNC(=O)C(C)(C)O 240690a_100000106463_100000242741 [0,2,0,0,0,0|2,0,0]=4 17306 B11R0.151 CCSCCNC(=O)C(C)(F)F 11a_100000106463_100000042251 [0,2,0,0,0,0|2,0,0]=4 17307 B11R0.151 CCSCCNC(=O)C(C)(F)F 1626a_100000106463_100000042251 [0,2,0,0,0,0|2,0,0]=4 17308 B11R0.151 CCSCCNC(=O)C(C)(F)F 240690a_100000106463_100000042251 [0,2,0,0,0,0|2,0,0]=4 17309 B11R0.151 CCSCCNC(=O)C(C)(F)F 527a_100000106463_100000042251 [0,2,0,0,0,0|2,0,0]=4 17310 B11R0.151 COCCCCC(=O)C(C)(C)C 1458a_106744555173_100000755781 [0,2,0,0,0,0|1,0,0]=3 17311 B11R0.151 COCCCCC(=O)C(C)(C)F 1458a_100000765255_100000755781 [0,2,0,0,0,0|1,0,0]=3 17312 B11R0.151 COCCCCC(=O)C(C)(C)O 1458a_100000242741_100000755781 [0,2,0,0,0,0|1,0,0]=3 17313 B11R0.151 COCCCCC(=O)C(F)(F)F 1458a_100015355933_100000755781 [0,2,0,0,0,0|2,0,0]=4 17314 B11R0.151 COCCCNC(=O)C(C)(C)C 1626a_100150723488_106744555173 [0,2,0,0,0,0|2,0,0]=4 17315 B11R0.151 COCCCNC(=O)C(C)(C)C 240690a_100150723488_106744555173 [0,2,0,0,0,0|2,0,0]=4 17316 B11R0.151 COCCCNC(=O)C(C)(C)C 527a_100150723488_106744555173 [0,2,0,0,0,0|2,0,0]=4 17317 B11R0.151 COCCCNC(=O)C(C)(C)F 1626a_100150723488_100000765255 [0,2,0,0,0,0|2,0,0]=4 17318 B11R0.151 COCCCNC(=O)C(C)(C)F 240690a_100150723488_100000765255 [0,2,0,0,0,0|2,0,0]=4 17319 B11R0.151 COCCCNC(=O)C(C)(C)F 527a_100150723488_100000765255 [0,2,0,0,0,0|2,0,0]=4 17320 B11R0.151 COCCCNC(=O)C(C)(C)O 240690a_100150723488_100000242741 [0,2,0,0,0,0|2,0,0]=4 17321 B11R0.151 COCCCNC(=O)C(C)(F)F 1626a_100150723488_100000042251 [0,2,0,0,0,0|2,0,0]=4 17322 B11R0.151 COCCCNC(=O)C(C)(F)F 240690a_100150723488_100000042251 [0,2,0,0,0,0|2,0,0]=4 17323 B11R0.151 COCCCNC(=O)C(C)(F)F 527a_100150723488_100000042251 [0,2,0,0,0,0|2,0,0]=4 17324 B11R0.151 COCCOCC(=O)C(C)(C)C 34a_100000210237_100000229897 [0,2,0,0,0,0|2,0,0]=4 17325 B11R0.151 COCCOCC(=O)C(C)(C)C 34a_200011592769_100011201679 [0,2,0,0,0,0|2,0,0]=4 17326 B11R0.151 COCCOCC(=O)C(C)(C)C 7a_200011592769_100000233755 [0,2,0,0,0,0|2,0,0]=4 17327 B11R0.151 COCCSCC(=O)C(C)(C)C 62a_100000210923_100000233755 [0,2,0,0,0,0|2,0,0]=4 17328 B11R0.151 COCCSCC(=O)C(C)(C)C 62a_100000233755_100000210923 [0,2,0,0,0,0|2,0,0]=4 17329 B11R0.151 CSCCCNC(=O)C(C)(C)C 11a_100000749238_106744555173 [0,2,0,0,0,0|2,0,0]=4 17330 B11R0.151 CSCCCNC(=O)C(C)(C)C 1626a_100000749238_106744555173 [0,2,0,0,0,0|2,0,0]=4 17331 B11R0.151 CSCCCNC(=O)C(C)(C)C 240690a_100000749238_106744555173 [0,2,0,0,0,0|2,0,0]=4 17332 B11R0.151 CSCCCNC(=O)C(C)(C)C 527a_100000749238_106744555173 [0,2,0,0,0,0|2,0,0]=4 17333 B11R0.151 CSCCCNC(=O)C(C)(C)F 11a_100000749238_100000765255 [0,2,0,0,0,0|2,0,0]=4 17334 B11R0.151 CSCCCNC(=O)C(C)(C)F 1626a_100000749238_100000765255 [0,2,0,0,0,0|2,0,0]=4 17335 B11R0.151 CSCCCNC(=O)C(C)(C)F 240690a_100000749238_100000765255 [0,2,0,0,0,0|2,0,0]=4 17336 B11R0.151 CSCCCNC(=O)C(C)(C)F 527a_100000749238_100000765255 [0,2,0,0,0,0|2,0,0]=4 17337 B11R0.151 CSCCCNC(=O)C(C)(C)O 240690a_100000749238_100000242741 [0,2,0,0,0,0|2,0,0]=4 17338 B11R0.151 CSCCCNC(=O)C(C)(F)F 11a_100000749238_100000042251 [0,2,0,0,0,0|2,0,0]=4 17339 B11R0.151 CSCCCNC(=O)C(C)(F)F 1626a_100000749238_100000042251 [0,2,0,0,0,0|2,0,0]=4 17340 B11R0.151 CSCCCNC(=O)C(C)(F)F 240690a_100000749238_100000042251 [0,2,0,0,0,0|2,0,0]=4 17341 B11R0.151 CSCCCNC(=O)C(C)(F)F 527a_100000749238_100000042251 [0,2,0,0,0,0|2,0,0]=4 17342 B11R0.151 CSCCOCC(=O)C(C)(C)C 34a_100000230434_100000229897 [0,2,0,0,0,0|2,0,0]=4 17343 B11R0.151 CSCCOCC(=O)C(C)(C)C 34a_200011592769_100000212216 [0,2,0,0,0,0|2,0,0]=4 17344 B11R0.151 CSCCOCC(=O)C(C)(C)C 7a_100000230434_100000210923 [0,2,0,0,0,0|2,0,0]=4 17345 B11R0.151 CSCCOCC(=O)C(C)(C)C 7a_200011592769_100000212216 [0,2,0,0,0,0|2,0,0]=4 17346 B11R0.151 CSCCSCC(=O)C(C)(C)C 62a_100000210923_100000751147 [0,2,0,0,0,0|2,0,0]=4 17347 B11R0.151 CSCCSCC(=O)C(C)(C)C 62a_100000212216_100000210923 [0,2,0,0,0,0|2,0,0]=4 17348 B11R0.151 O=C(CCCCCF)C(F)(F)F 1458a_100015355933_100000729378 [0,2,0,0,0,0|2,0,0]=4 17349 B11R0.151 O=C(CCCCCO)C(F)(F)F 1458a_100015355933_100000746330 [0,2,0,0,0,0|2,0,0]=4 17350 B11R0.151 O=C(CCCCCO)C(F)(F)F 1458a_100102619762_200000243211 [0,2,0,0,0,0|2,0,0]=4 17351 B11R0.151 [2H]C([2H])([2H])C(=O)NCCCCC 11a_100000209983_200015216371 [0,2,0,0,0,0|2,0,0]=4 17352 B11R0.151 [2H]C([2H])([2H])C(=O)NCCCCC 1626a_100000209983_200015216371 [0,2,0,0,0,0|2,0,0]=4 17353 B11R0.151 [2H]C([2H])([2H])C(=O)NCCCCC 240690a_100000209983_200015216371 [0,2,0,0,0,0|2,0,0]=4 17354 B11R0.151 [2H]C([2H])([2H])C(=O)NCCCCC 527a_100000209983_200015216371 [0,2,0,0,0,0|2,0,0]=4 17355 B11R0.75 CCC(=O)C(CC)OCCCF 34a_200011218131_100011934791 [0,2,0,0,0,0|2,0,0]=4 17356 B11R0.75 CCC(=O)C(CC)OCCCF 7a_200011218131_100011934791 [0,2,0,0,0,0|2,0,0]=4 17357 B11R0.75 CCC(=O)C(CC)OCCCO 34a_200011218131_100000230001 [0,2,0,0,0,0|2,0,0]=4 17358 B11R0.75 CCC(=O)C(CC)OCCCO 7a_200011218131_100011215043 [0,2,0,0,0,0|2,0,0]=4 17359 B11R0.75 CCC(=O)C(CC)OCCOC 34a_200011218131_100011201679 [0,2,0,0,0,0|2,0,0]=4 17360 B11R0.75 CCC(=O)C(CC)OCCOC 7a_200011218131_100000233755 [0,2,0,0,0,0|2,0,0]=4 17361 B11R0.75 CCC(=O)C(CC)OCCSC 34a_200011218131_100000212216 [0,2,0,0,0,0|2,0,0]=4 17362 B11R0.75 CCC(=O)C(CC)OCCSC 7a_200011218131_100000212216 [0,2,0,0,0,0|2,0,0]=4 17363 B11R0.75 CCC(=O)N(CC)CCCCO 240690a_100011217355_100000210414 [0,2,0,0,0,0|2,0,0]=4 17364 B11R0.75 CCCCCC(CC)C(=O)CC 1458a_100000697129_100000210202 [0,2,0,0,0,0|0,0,0]=2 17365 B11R0.75 CCCCCC(CC)C(=O)CF 1458a_100000697129_100015361967 [0,2,0,0,0,0|1,0,0]=3 17366 B11R0.75 CCCCCC(CC)C(=O)NC 11a_106832991635_100000697129 [0,2,0,0,0,0|1,0,0]=3 17367 B11R0.75 CCCCCC(CC)C(=O)NC 1626a_100102657272_100000697129 [0,2,0,0,0,0|1,0,0]=3 17368 B11R0.75 CCCCCC(CC)C(=O)NC 240690a_100102657272_100000697129 [0,2,0,0,0,0|1,0,0]=3 17369 B11R0.75 CCCCCC(CC)C(=O)NC 527a_100102657272_100000697129 [0,2,0,0,0,0|1,0,0]=3 17370 B11R0.75 CCCCCC(NC)C(=O)NC 2230a_200121577139_200000210301 [0,2,0,0,0,0|1,0,0]=3 17371 B11R0.75 CCCCCC(NC)C(=O)NC 34a_200121577139_200000210301 [0,2,0,0,0,0|1,0,0]=3 17372 B11R0.75 CCCCCC(N[13CH3])C(=O)NC 2230a_200121577139_200025704644 [0,2,0,0,0,0|1,0,0]=3 17373 B11R0.75 CCCCCC(N[13CH3])C(=O)NC 34a_200121577139_200025704644 [0,2,0,0,0,0|1,0,0]=3 17374 B11R0.75 CCCCNC(CC)C(=O)OC 2230a_100000102301_100000235869 [0,2,0,0,0,0|2,0,0]=4 17375 B11R0.75 CCCCNC(CC)C(=O)OC 7a_106832991798_100000742303 [0,2,0,0,0,0|2,0,0]=4 17376 B11R0.75 CCCCN[C@@H](CC)C(=O)NC 2230a_106657271573_100000210211 [0,2,0,0,0,0|2,0,0]=4 17377 B11R0.75 CCCCN[C@@H](CC)C(=O)NC 34a_106657271573_100000210210 [0,2,0,0,0,0|2,0,0]=4 17378 B11R0.75 CCCCOC(C=O)C(=O)OC 34a_100000210227_100000046368 [0,2,0,0,0,0|2,0,0]=4 17379 B11R0.75 CCCCOC(CC)C(=O)CC 34a_200011218131_100000210210 [0,2,0,0,0,0|1,0,0]=3 17380 B11R0.75 CCCCOC(CC)C(=O)CC 7a_200011218131_100000210211 [0,2,0,0,0,0|1,0,0]=3 17381 B11R0.75 CCCCOC(CC)C(=O)OC 34a_100000210227_100000235869 [0,2,0,0,0,0|2,0,0]=4 17382 B11R0.75 CCCCOC(CC)C(=O)OC 34a_100000695916_100000210210 [0,2,0,0,0,0|2,0,0]=4 17383 B11R0.75 CCCCOC(CC)C(=O)OC 7a_100000210227_100000742303 [0,2,0,0,0,0|2,0,0]=4 17384 B11R0.75 CCCCOC(CC)C(=O)OC 7a_100000695916_100000210211 [0,2,0,0,0,0|2,0,0]=4 17385 B11R0.75 CCCCOC(CN)C(=O)OC 34a_100000695228_100000210210 [0,2,0,0,0,0|2,0,0]=4 17386 B11R0.75 CCCCOC(CO)C(=O)OC 34a_100000210227_100012276630 [0,2,0,0,0,0|2,0,0]=4 17387 B11R0.75 CCCCOC(OC)C(=O)OC 34a_100000036821_100000210210 [0,2,0,0,0,0|2,0,0]=4 17388 B11R0.75 CCCCOC(OC)C(=O)OC 34a_100000210227_100000101307 [0,2,0,0,0,0|2,0,0]=4 17389 B11R0.75 CCCCSC(C=O)C(=O)OC 62a_100000046368_100000210210 [0,2,0,0,0,0|2,0,0]=4 17390 B11R0.75 CCCCSC(C=O)C(=O)OC 62a_100000210211_100000046368 [0,2,0,0,0,0|2,0,0]=4 17391 B11R0.75 CCCCSC(CC)C(=O)OC 62a_100000210211_100000235869 [0,2,0,0,0,0|2,0,0]=4 17392 B11R0.75 CCCCSC(CC)C(=O)OC 62a_100000235869_100000210210 [0,2,0,0,0,0|2,0,0]=4 17393 B11R0.75 CCCCSC(CO)C(=O)OC 62a_100000210211_100012276630 [0,2,0,0,0,0|2,0,0]=4 17394 B11R0.75 CCCCSC(CO)C(=O)OC 62a_100012276630_100000210210 [0,2,0,0,0,0|2,0,0]=4 17395 B11R0.75 CCCCSC(OC)C(=O)OC 62a_100000101307_100000210210 [0,2,0,0,0,0|2,0,0]=4 17396 B11R0.75 CCCCSC(OC)C(=O)OC 62a_100000210211_100000101307 [0,2,0,0,0,0|2,0,0]=4 17397 B11R0.187 CCC(=O)C(C)N[C@H](C)CCO 2230a_100000706166_100000742827 [0,2,0,0,0,0|2,0,0]=4 17398 B11R0.187 CCC(=O)C(C)N[C@H](C)COC 2230a_100000764878_100000742827 [0,2,0,0,0,0|2,0,0]=4 17399 B11R0.187 CCC(=O)C(C)SC(C)CCO 62a_100000742827_100009893172 [0,2,0,0,0,0|2,0,0]=4 17400 B11R0.187 CCC(=O)C(C)SC(C)CCO 62a_100009893172_100000742827 [0,2,0,0,0,0|2,0,0]=4 17401 B11R0.187 CCC(=O)C(C)SC(C)COC 62a_100000742827_100000765312 [0,2,0,0,0,0|2,0,0]=4 17402 B11R0.187 CCC(=O)C(C)SC(C)COC 62a_100000765312_100000742827 [0,2,0,0,0,0|2,0,0]=4 17403 B11R0.187 CCC(=O)N(C)CC(O)COC 240690a_100000739405_100000210414 [0,2,0,0,0,0|2,0,0]=4 17404 B11R0.187 CCC(=O)N(C)CC(O)COC 527a_100000739405_100000210414 [0,2,0,0,0,0|2,0,0]=4 17405 B11R0.187 CCCC(=O)NC(C)C(=O)CC 1458a_100000205598_100000210202 [0,2,0,0,0,0|1,0,1]=4 17406 B11R0.187 CCCC(C)CC(=O)C(=O)NC 1458a_100011218921_100011216630 [0,2,0,0,0,0|1,0,1]=4 17407 B11R0.187 CCCC(C)NC(C)C(=O)CC 2230a_100000741246_100000742827 [0,2,0,0,0,0|1,0,0]=3 17408 B11R0.187 CCCC(C)NC(C)C(=O)NC 2230a_100000741246_100000731044 [0,2,0,0,0,0|2,0,0]=4 17409 B11R0.187 CCCC(C)NC(C)C(=O)OC 2230a_100000741246_100000211248 [0,2,0,0,0,0|2,0,0]=4 17410 B11R0.187 CCCC(C)NC(F)C(=O)NC 2230a_100000741246_100009813575 [0,2,0,0,0,0|2,0,0]=4 17411 B11R0.187 CCCC(C)N[C@H](C)C(=O)NC 2230a_100000684985_100000766640 [0,2,0,0,0,0|2,0,0]=4 17412 B11R0.187 CCCC(C)N[C@H](C)C(=O)NC 34a_100000684985_100000766640 [0,2,0,0,0,0|2,0,0]=4 17413 B11R0.187 CCCC(C)OC(C)C(=O)CC 7a_100000764384_100000742827 [0,2,0,0,0,0|1,0,0]=3 17414 B11R0.187 CCCC(C)OC(C)C(=O)NC 34a_100000764384_100000731044 [0,2,0,0,0,0|2,0,0]=4 17415 B11R0.187 CCCC(C)OC(C)C(=O)NC 7a_100000764384_100000209862 [0,2,0,0,0,0|2,0,0]=4 17416 B11R0.187 CCCC(C)OC(C)C(=O)OC 34a_100000764384_100000211248 [0,2,0,0,0,0|2,0,0]=4 17417 B11R0.187 CCCC(C)OC(C)C(=O)OC 34a_100011215400_100000766640 [0,2,0,0,0,0|2,0,0]=4 17418 B11R0.187 CCCC(C)OC(C)C(=O)OC 7a_100000764384_100000211248 [0,2,0,0,0,0|2,0,0]=4 17419 B11R0.187 CCCC(C)OC(F)C(=O)NC 34a_100000764384_100009813575 [0,2,0,0,0,0|2,0,0]=4 17420 B11R0.187 CCCC(C)OC(F)C(=O)NC 7a_100000764384_100009813575 [0,2,0,0,0,0|2,0,0]=4 17421 B11R0.187 CCCC(C)SC(C)C(=O)CC 62a_100000742827_100000766640 [0,2,0,0,0,0|1,0,0]=3 17422 B11R0.187 CCCC(C)SC(C)C(=O)CC 62a_100000766640_100000742827 [0,2,0,0,0,0|1,0,0]=3 17423 B11R0.187 CCCC(C)SC(C)C(=O)NC 62a_100000209862_100000766640 [0,2,0,0,0,0|2,0,0]=4 17424 B11R0.187 CCCC(C)SC(C)C(=O)NC 62a_100000766640_100000731044 [0,2,0,0,0,0|2,0,0]=4 17425 B11R0.187 CCCC(C)SC(C)C(=O)OC 62a_100000211248_100000766640 [0,2,0,0,0,0|2,0,0]=4 17426 B11R0.187 CCCC(C)SC(C)C(=O)OC 62a_100000766640_100000211248 [0,2,0,0,0,0|2,0,0]=4 17427 B11R0.187 CCCC(C)SC(F)C(=O)NC 62a_100000766640_100009813575 [0,2,0,0,0,0|2,0,0]=4 17428 B11R0.187 CCCC(C)SC(F)C(=O)NC 62a_100009813575_100000766640 [0,2,0,0,0,0|2,0,0]=4 17429 B11R0.187 CCCN(C)CC(C)C(=O)OC 269982a_100000747261_100000698445 [0,2,0,0,0,0|2,0,0]=4 17430 B11R0.187 CCOC(=O)CC(C)C(=O)CC 1458a_100000210414_100009817359 [0,2,0,0,0,0|1,0,1]=4 17431 B11R0.326 CCCCNC(C)(C)C(=O)NC 2230a_100000102301_100000732697 [0,2,0,0,0,0|2,0,0]=4 17432 B11R0.326 CCCCNC(C)(C)C(=O)OC 2230a_100000102301_100000689032 [0,2,0,0,0,0|2,0,0]=4 17433 B11R0.326 CCCCNC(C)(F)C(=O)OC 2230a_100000102301_200009867631 [0,2,0,0,0,0|2,0,0]=4 17434 B11R0.326 CCCCNC(F)(F)C(=O)OC 7a_106832991798_100000211177 [0,2,0,0,0,0|2,0,0]=4 17435 B11R0.326 CCCCOC(C)(C)C(=O)NC 34a_100000210227_100000732697 [0,2,0,0,0,0|2,0,0]=4 17436 B11R0.326 CCCCOC(C)(C)C(=O)OC 34a_100011217581_100000210210 [0,2,0,0,0,0|2,0,0]=4 17437 B11R0.326 CCCCOC(C)(C)C(=O)OC 7a_100011217581_100000210211 [0,2,0,0,0,0|2,0,0]=4 17438 B11R0.326 CCCCOC(C)(F)C(=O)OC 34a_100000210227_200009867631 [0,2,0,0,0,0|2,0,0]=4 17439 B11R0.326 CCCCOC(F)(F)C(=O)OC 34a_100000210227_100000211177 [0,2,0,0,0,0|2,0,0]=4 17440 B11R0.326 CCCCOC(F)(F)C(=O)OC 7a_100000210227_100000211177 [0,2,0,0,0,0|2,0,0]=4 17441 B11R0.326 CCCCSC(C)(C)C(=O)NC 62a_100000210211_100000732697 [0,2,0,0,0,0|2,0,0]=4 17442 B11R0.326 CCCCSC(C)(C)C(=O)NC 62a_100000732697_100000210210 [0,2,0,0,0,0|2,0,0]=4 17443 B11R0.326 CCCCSC(C)(C)C(=O)OC 62a_100000210211_100000689032 [0,2,0,0,0,0|2,0,0]=4 17444 B11R0.326 CCCCSC(C)(C)C(=O)OC 62a_100000689032_100000210210 [0,2,0,0,0,0|2,0,0]=4 17445 B11R0.326 CCCCSC(C)(F)C(=O)OC 62a_100000210211_200009867631 [0,2,0,0,0,0|2,0,0]=4 17446 B11R0.326 CCCCSC(C)(F)C(=O)OC 62a_200009867631_100000210210 [0,2,0,0,0,0|2,0,0]=4 17447 B11R0.326 CCCCSC(F)(F)C(=O)OC 62a_100000210211_100000211177 [0,2,0,0,0,0|2,0,0]=4 17448 B11R0.326 CCCCSC(F)(F)C(=O)OC 62a_100000211177_100000210210 [0,2,0,0,0,0|2,0,0]=4 17449 B11R0.326 CCCOCC(C)(C)C(=O)NC 34a_100000210258_100000702813 [0,2,0,0,0,0|2,0,0]=4 17450 B11R0.326 CCCOCC(C)(C)C(=O)OC 34a_100000709632_100000210303 [0,2,0,0,0,0|2,0,0]=4 17451 B11R0.326 CCCOCC(C)(C)C(=O)OC 7a_100000709632_100000210303 [0,2,0,0,0,0|2,0,0]=4 17452 B11R0.326 CCCOCC(F)(F)C(=O)OC 34a_100000210258_100010295740 [0,2,0,0,0,0|2,0,0]=4 17453 B11R0.326 CCCSCC(C)(C)C(=O)NC 62a_100000210303_100000702813 [0,2,0,0,0,0|2,0,0]=4 17454 B11R0.326 CCCSCC(C)(C)C(=O)NC 62a_100000702813_100000210303 [0,2,0,0,0,0|2,0,0]=4 17455 B11R0.326 CCCSCC(C)(C)C(=O)OC 62a_100000210303_100000684552 [0,2,0,0,0,0|2,0,0]=4 17456 B11R0.326 CCCSCC(C)(C)C(=O)OC 62a_100000684552_100000210303 [0,2,0,0,0,0|2,0,0]=4 17457 B11R0.326 CCCSCC(F)(F)C(=O)OC 62a_100000210303_100010295740 [0,2,0,0,0,0|2,0,0]=4 17458 B11R0.326 CCCSCC(F)(F)C(=O)OC 62a_100010295740_100000210303 [0,2,0,0,0,0|2,0,0]=4 17459 B11R0.326 CNCCCC(C)(C)C(=O)OC 2230a_106832991635_100010114820 [0,2,0,0,0,0|2,0,0]=4 17460 B11R0.326 CNCCCC(C)(C)C(=O)OC 34a_100102657272_100010114820 [0,2,0,0,0,0|2,0,0]=4 17461 B11R0.326 CNCCCC(C)(C)C(=O)OC 7a_106832991635_100010114820 [0,2,0,0,0,0|2,0,0]=4 17462 B11R0.326 COC(=O)C(C)(C)CCCSC 62a_100010114820_200000210301 [0,2,0,0,0,0|2,0,0]=4 17463 B11R0.326 COC(=O)C(C)(C)CCCSC 62a_200000210301_100010114820 [0,2,0,0,0,0|2,0,0]=4 17464 B11R0.326 COC(=O)C(C)(C)CCCS[13CH3] 62a_100010114820_200025704644 [0,2,0,0,0,0|2,0,0]=4 17465 B11R0.326 COC(=O)C(C)(C)CCCS[13CH3] 62a_200025704644_100010114820 [0,2,0,0,0,0|2,0,0]=4 17466 B11R0.326 COCCCC(C)(C)C(=O)OC 34a_100138415774_100010114820 [0,2,0,0,0,0|2,0,0]=4 17467 B11R0.100 CCC(=O)CNC(C)(C)CSC 7a_100000759623_100000747405 [0,2,0,0,0,0|2,0,0]=4 17468 B11R0.100 CCC(=O)COC(C)(C)CCBr 7a_100000702414_100000747405 [0,2,0,0,0,0|2,0,0]=4 17469 B11R0.100 CCC(=O)NCC(C)(C)COC 11a_100000734190_100000210414 [0,2,0,0,0,0|2,0,0]=4 17470 B11R0.100 CCC(=O)NCC(C)(C)COC 1626a_100000734190_100000210414 [0,2,0,0,0,0|2,0,0]=4 17471 B11R0.100 CCC(=O)NCC(C)(C)COC 240690a_100000734190_100000210414 [0,2,0,0,0,0|2,0,0]=4 17472 B11R0.100 CCC(=O)NCC(C)(C)COC 527a_100000734190_100000210414 [0,2,0,0,0,0|2,0,0]=4 17473 B11R0.100 CCCC(C)(C)OCC(=O)CC 7a_100000748436_100000747405 [0,2,0,0,0,0|1,0,0]=3 17474 B11R0.100 CCCC(C)(C)OCC(=O)NC 7a_100000748436_100000183359 [0,2,0,0,0,0|2,0,0]=4 17475 B11R0.100 CCCC(C)(C)OCC(=O)OC 7a_100000748436_100000747449 [0,2,0,0,0,0|2,0,0]=4 17476 B11R0.134 C#CC(CCC)OCC(=O)CC 7a_200011217317_100000747405 [0,2,0,0,0,0|1,0,0]=3 17477 B11R0.134 C#CC(CCC)OCC(=O)NC 34a_200011217317_100000183359 [0,2,0,0,0,0|2,0,0]=4 17478 B11R0.134 C#CC(CCC)OCC(=O)NC 7a_200011217317_100000183359 [0,2,0,0,0,0|2,0,0]=4 17479 B11R0.134 C#CC(CCC)OCC(=O)OC 34a_200011217317_100000747449 [0,2,0,0,0,0|2,0,0]=4 17480 B11R0.134 C#CC(CCC)OCC(=O)OC 7a_200011217317_100000747449 [0,2,0,0,0,0|2,0,0]=4 17481 B11R0.134 C=CC(CCC)OCC(=O)CC 7a_100011216692_100000747405 [0,2,0,0,0,0|1,0,0]=3 17482 B11R0.134 C=CC(CCC)OCC(=O)NC 34a_100011216692_100000183359 [0,2,0,0,0,0|2,0,0]=4 17483 B11R0.134 C=CC(CCC)OCC(=O)NC 7a_100011216692_100000183359 [0,2,0,0,0,0|2,0,0]=4 17484 B11R0.134 C=CC(CCC)OCC(=O)OC 34a_100011216692_100000747449 [0,2,0,0,0,0|2,0,0]=4 17485 B11R0.134 C=CC(CCC)OCC(=O)OC 7a_100011216692_100000747449 [0,2,0,0,0,0|2,0,0]=4 17486 B11R0.134 CCC(=O)COC(CC)COC 7a_200011214946_100000747405 [0,2,0,0,0,0|2,0,0]=4 17487 B11R0.134 CCCC(C#N)OCC(=O)CC 7a_100000686963_100000747405 [0,2,0,0,0,0|1,0,0]=3 17488 B11R0.134 CCCC(C#N)OCC(=O)NC 34a_100000686963_100000183359 [0,2,0,0,0,0|2,0,0]=4 17489 B11R0.134 CCCC(C#N)OCC(=O)NC 7a_100000686963_100000183359 [0,2,0,0,0,0|2,0,0]=4 17490 B11R0.134 CCCC(C#N)OCC(=O)OC 34a_100000686963_100000747449 [0,2,0,0,0,0|2,0,0]=4 17491 B11R0.134 CCCC(C#N)OCC(=O)OC 7a_100000686963_100000747449 [0,2,0,0,0,0|2,0,0]=4 17492 B11R0.134 CCCC(CC)NCC(=O)NC 2230a_100000747048_100000183359 [0,2,0,0,0,0|2,0,0]=4 17493 B11R0.134 CCCC(CC)NCC(=O)NC 270004a_100000693194_100000687865 [0,2,0,0,0,0|2,0,0]=4 17494 B11R0.134 CCCC(CC)NCC(=O)OC 2230a_100000747048_100000747449 [0,2,0,0,0,0|2,0,0]=4 17495 B11R0.134 CCCC(CC)OCC(=O)CC 7a_100000687864_100000747405 [0,2,0,0,0,0|1,0,0]=3 17496 B11R0.134 CCCC(CC)OCC(=O)NC 34a_100000687864_100000183359 [0,2,0,0,0,0|2,0,0]=4 17497 B11R0.134 CCCC(CC)OCC(=O)NC 7a_100000687864_100000183359 [0,2,0,0,0,0|2,0,0]=4 17498 B11R0.134 CCCC(CC)OCC(=O)OC 34a_100000687864_100000747449 [0,2,0,0,0,0|2,0,0]=4 17499 B11R0.134 CCCC(CC)OCC(=O)OC 7a_100000687864_100000747449 [0,2,0,0,0,0|2,0,0]=4 17500 B11R0.134 CCCC(CC)SCC(=O)CC 62a_100000747405_100011219200 [0,2,0,0,0,0|1,0,0]=3 17501 B11R0.134 CCCC(CC)SCC(=O)CC 62a_100011219200_100000747405 [0,2,0,0,0,0|1,0,0]=3 17502 B11R0.134 CCCC(CC)SCC(=O)NC 62a_100000183359_100011219200 [0,2,0,0,0,0|2,0,0]=4 17503 B11R0.134 CCCC(CC)SCC(=O)NC 62a_100011219200_100000183359 [0,2,0,0,0,0|2,0,0]=4 17504 B11R0.134 CCCC(CC)SCC(=O)OC 62a_100000747449_100011219200 [0,2,0,0,0,0|2,0,0]=4 17505 B11R0.134 CCCC(CC)SCC(=O)OC 62a_100011219200_100000747449 [0,2,0,0,0,0|2,0,0]=4 17506 B11R0.134 CCCN(CC)CCC(=O)NC 2230a_100000226822_100000737683 [0,2,0,0,0,0|2,0,0]=4 17507 B11R0.134 CCCN(CC)CCC(=O)NC 269982a_100000226822_100000737683 [0,2,0,0,0,0|2,0,0]=4 17508 B11R0.134 CCCN(CC)CCC(=O)OC 2230a_100000226822_100000204255 [0,2,0,0,0,0|2,0,0]=4 17509 B11R0.134 CCCN(CC)CCC(=O)OC 2230a_100000229097_100000210303 [0,2,0,0,0,0|2,0,0]=4 17510 B11R0.134 CCCN(CC)CCC(=O)OC 269982a_100000226822_100000204255 [0,2,0,0,0,0|2,0,0]=4 17511 B11R0.134 CCCN(CC)CCC(=O)OC 269982a_100000229097_100000210303 [0,2,0,0,0,0|2,0,0]=4 17512 B11R0.134 CCC[C@@H](CO)NCC(=O)NC 2230a_100000732646_100000183359 [0,2,0,0,0,0|2,0,0]=4 17513 B11R0.134 CCC[C@@H](CO)NCC(=O)NC 34a_100000732646_100000183359 [0,2,0,0,0,0|2,0,0]=4 17514 B11R0.134 CCC[C@@H](CO)NCC(=O)OC 2230a_100000732646_100000747449 [0,2,0,0,0,0|2,0,0]=4 17515 B11R0.134 CCC[C@@H](CO)NCC(=O)OC 34a_100000732646_100000747449 [0,2,0,0,0,0|2,0,0]=4 17516 B11R0.134 CCOC(CC)CNC(=O)CC 11a_100015183923_100000210414 [0,2,0,0,0,0|2,0,0]=4 17517 B11R0.134 CCOC(CC)CNC(=O)CC 1626a_100015183923_100000210414 [0,2,0,0,0,0|2,0,0]=4 17518 B11R0.134 CCOC(CC)CNC(=O)CC 240690a_100015183923_100000210414 [0,2,0,0,0,0|2,0,0]=4 17519 B11R0.134 CCOC(CC)CNC(=O)CC 527a_100015183923_100000210414 [0,2,0,0,0,0|2,0,0]=4 17520 B9R1.4 CCN1CCC1COC 2230a_100015195929_100000210202 [1,0,0,1,0,0|2,0,0]=4 17521 B9R1.4 CCN1CCC1COC 269982a_100015195929_100000204670 [1,0,0,1,0,0|2,0,0]=4 17522 B9R1.4 CCN1CCC1COC 34a_100015195929_100000210202 [1,0,0,1,0,0|2,0,0]=4 17523 B9R1.8 CCCN1CC=CCC1 2230a_100000698166_100000210303 [1,0,0,1,0,0|1,0,1]=4 17524 B9R1.8 CCCN1CC=CCC1 269982a_100000698166_100000210303 [1,0,0,1,0,0|1,0,1]=4 17525 B9R1.8 CCCN1CC=CCC1 34a_100000698166_100000210303 [1,0,0,1,0,0|1,0,1]=4 17526 B9R1.8 CCCN1CCOCC1 2230a_100015191051_100000210303 [1,0,0,1,0,0|2,0,0]=4 17527 B9R1.8 CCCN1CCOCC1 269982a_100015191051_100000210303 [1,0,0,1,0,0|2,0,0]=4 17528 B9R1.8 CCCN1CCOCC1 34a_100015191051_100000210303 [1,0,0,1,0,0|2,0,0]=4 17529 B9R1.8 CCCN1CCSCC1 2230a_100000737611_100000210303 [1,0,0,1,0,0|2,0,0]=4 17530 B9R1.8 CCCN1CCSCC1 269982a_100000737611_100000210303 [1,0,0,1,0,0|2,0,0]=4 17531 B9R1.8 CCNC1CCCCC1 2230a_100000182618_100000210202 [1,0,0,1,0,0|1,0,0]=3 17532 B9R1.8 CCNC1CCCCC1 270004a_100015525214_100000210434 [1,0,0,1,0,0|1,0,0]=3 17533 B9R1.8 CCNC1CCCCC1 34a_100000182618_100000210202 [1,0,0,1,0,0|1,0,0]=3 17534 B9R1.8 CCNC1CCCOC1 2230a_100000719290_100000210202 [1,0,0,1,0,0|2,0,0]=4 17535 B9R1.8 CCNC1CCCOC1 270004a_100015525214_100000753404 [1,0,0,1,0,0|2,0,0]=4 17536 B9R1.8 CCNC1CCCOC1 34a_100000719290_100000210202 [1,0,0,1,0,0|2,0,0]=4 17537 B9R1.8 CCNC1CCCSC1 270004a_100015525214_100000057913 [1,0,0,1,0,0|2,0,0]=4 17538 B9R1.8 CCNC1CCNCC1 270004a_100015525214_100015192401 [1,0,0,1,0,0|2,0,0]=4 17539 B9R1.8 CCNC1CCOCC1 2230a_100000741149_100000210202 [1,0,0,1,0,0|2,0,0]=4 17540 B9R1.8 CCNC1CCOCC1 270004a_100015525214_100011217826 [1,0,0,1,0,0|2,0,0]=4 17541 B9R1.8 CCNC1CCOCC1 34a_100000741149_100000210202 [1,0,0,1,0,0|2,0,0]=4 17542 B9R1.8 CCNC1CCSCC1 2230a_100000748639_100000210202 [1,0,0,1,0,0|2,0,0]=4 17543 B9R1.8 CCNC1CCSCC1 270004a_100015525214_100000203788 [1,0,0,1,0,0|2,0,0]=4 17544 B9R1.8 CCNC1CCSCC1 34a_100000748639_100000210202 [1,0,0,1,0,0|2,0,0]=4 17545 B9R1.8 CCOC1CC=CCC1 34a_100000073881_100000210202 [1,0,0,1,0,0|1,0,1]=4 17546 B9R1.8 CCOC1CCCCC1 34a_100000210231_100000210202 [1,0,0,1,0,0|1,0,0]=3 17547 B9R1.8 CCOC1CCCCC1 34a_100121572206_100000210327 [1,0,0,1,0,0|1,0,0]=3 17548 B9R1.8 CCOC1CCCCC1 7a_100000210231_100000210202 [1,0,0,1,0,0|1,0,0]=3 17549 B9R1.8 CCOC1CCCCO1 34a_100000033831_100000210202 [1,0,0,1,0,0|2,0,0]=4 17550 B9R1.8 CCOC1CCCOC1 34a_100000754041_100000210202 [1,0,0,1,0,0|2,0,0]=4 17551 B9R1.8 CCOC1CCCOC1 34a_100121572206_100000693364 [1,0,0,1,0,0|2,0,0]=4 17552 B9R1.8 CCOC1CCCSC1 7a_100015962668_100000210202 [1,0,0,1,0,0|2,0,0]=4 17553 B9R1.8 CCOC1CCOCC1 34a_100000744328_100000210202 [1,0,0,1,0,0|2,0,0]=4 17554 B9R1.8 CCOC1CCSCC1 34a_100000731022_100000210202 [1,0,0,1,0,0|2,0,0]=4 17555 B9R1.8 CCOC1CCSCC1 34a_100121572206_100000069128 [1,0,0,1,0,0|2,0,0]=4 17556 B9R1.8 CCOC1CCSCC1 7a_100000731022_100000210202 [1,0,0,1,0,0|2,0,0]=4 17557 B9R1.8 CCSC1CCCCC1 62a_100000210202_100000210327 [1,0,0,1,0,0|1,0,0]=3 17558 B9R1.8 CCSC1CCCCC1 62a_100000210327_100000210202 [1,0,0,1,0,0|1,0,0]=3 17559 B9R1.8 CCSC1CCCOC1 62a_100000210202_100000693364 [1,0,0,1,0,0|2,0,0]=4 17560 B9R1.8 CCSC1CCOCC1 62a_100000210202_100011324220 [1,0,0,1,0,0|2,0,0]=4 17561 B9R1.8 CCSC1CCSCC1 62a_100000210202_100000069128 [1,0,0,1,0,0|2,0,0]=4 17562 B9R1.8 CNCC1CC=CCC1 270004a_106832991635_100000189434 [1,0,0,1,0,0|1,0,1]=4 17563 B9R1.8 CNCC1CCCCC1 2230a_100000210473_200000210301 [1,0,0,1,0,0|1,0,1]=4 17564 B9R1.8 CNCC1CCCCC1 2230a_106832991635_100000211423 [1,0,0,1,0,0|1,0,1]=4 17565 B9R1.8 CNCC1CCCCC1 269862a_106832991636_100000211278 [1,0,0,1,0,0|1,0,1]=4 17566 B9R1.8 CNCC1CCCCC1 34a_100000210473_200000210301 [1,0,0,1,0,0|1,0,1]=4 17567 B9R1.8 CNCC1CCCCC1 34a_100102657272_100000211423 [1,0,0,1,0,0|1,0,1]=4 17568 B9R1.8 CNCC1CCCCC1 7a_106832991635_100000211423 [1,0,0,1,0,0|1,0,1]=4 17569 B9R1.8 CNCC1CCOCC1 2230a_100000746373_200000210301 [1,0,0,1,0,0|2,0,0]=4 17570 B9R1.8 CNCC1CCOCC1 2230a_106832991635_100000754603 [1,0,0,1,0,0|2,0,0]=4 17571 B9R1.8 CNCC1CCOCC1 269862a_106832991636_100000749017 [1,0,0,1,0,0|2,0,0]=4 17572 B9R1.8 CNCC1CCOCC1 34a_100000746373_200000210301 [1,0,0,1,0,0|2,0,0]=4 17573 B9R1.8 CNCC1CCOCC1 34a_100102657272_100000754603 [1,0,0,1,0,0|2,0,0]=4 17574 B9R1.8 CNCC1CCOCC1 7a_106832991635_100000754603 [1,0,0,1,0,0|2,0,0]=4 17575 B9R1.8 CNCC1CCSCC1 2230a_100015188806_200000210301 [1,0,0,1,0,0|2,0,0]=4 17576 B9R1.8 CNCC1CCSCC1 269862a_106832991636_100000067145 [1,0,0,1,0,0|2,0,0]=4 17577 B9R1.8 CNCC1CCSCC1 270004a_106832991635_100000067145 [1,0,0,1,0,0|2,0,0]=4 17578 B9R1.8 CNCC1CCSCC1 34a_100015188806_200000210301 [1,0,0,1,0,0|2,0,0]=4 17579 B9R1.8 COCC1CC=CCC1 34a_100000210713_200000210301 [1,0,0,1,0,0|1,0,1]=4 17580 B9R1.8 COCC1CCCCC1 34a_100000212181_200000210301 [1,0,0,1,0,0|1,0,1]=4 17581 B9R1.8 COCC1CCCCC1 34a_100138415774_100000211423 [1,0,0,1,0,0|1,0,1]=4 17582 B9R1.8 COCC1CCCCC1 7a_100000212181_200000210301 [1,0,0,1,0,0|1,0,1]=4 17583 B9R1.8 COCC1CCNCC1 34a_100000738675_200000210301 [1,0,0,1,0,0|2,0,0]=4 17584 B9R1.8 COCC1CCOCC1 34a_100000749013_200000210301 [1,0,0,1,0,0|2,0,0]=4 17585 B9R1.8 COCC1CCOCC1 34a_100138415774_100000754603 [1,0,0,1,0,0|2,0,0]=4 17586 B9R1.8 COCC1CCSCC1 34a_100000070558_200000210301 [1,0,0,1,0,0|2,0,0]=4 17587 B9R1.8 COCC1CCSCC1 7a_100000070558_200000210301 [1,0,0,1,0,0|2,0,0]=4 17588 B9R1.8 CSCC1CCCCC1 62a_100000211423_200000210301 [1,0,0,1,0,0|1,0,1]=4 17589 B9R1.8 CSCC1CCCCC1 62a_200000210301_100000211423 [1,0,0,1,0,0|1,0,1]=4 17590 B9R1.8 CSCC1CCOCC1 62a_100000754603_200000210301 [1,0,0,1,0,0|2,0,0]=4 17591 B9R1.8 CSCC1CCOCC1 62a_200000210301_100000749018 [1,0,0,1,0,0|2,0,0]=4 17592 B9R1.8 FCNC1CCCCC1 34a_100000182618_100015361967 [1,0,0,1,0,0|2,0,0]=4 17593 B9R1.8 FCOC1CCCCC1 34a_100000210231_100015361967 [1,0,0,1,0,0|2,0,0]=4 17594 B9R1.8 FCOC1CCCCC1 7a_100000210231_100015361967 [1,0,0,1,0,0|2,0,0]=4 17595 B9R1.8 FCSC1CCCCC1 62a_100000210327_100015361967 [1,0,0,1,0,0|2,0,0]=4 17596 B9R1.8 FCSC1CCCCC1 62a_100015361967_100000210327 [1,0,0,1,0,0|2,0,0]=4 17597 B9R1.8 [13CH3]NCC1CCCCC1 2230a_100000210473_200025704644 [1,0,0,1,0,0|1,0,1]=4 17598 B9R1.8 [13CH3]NCC1CCCCC1 34a_100000210473_200025704644 [1,0,0,1,0,0|1,0,1]=4 17599 B9R1.8 [13CH3]NCC1CCOCC1 2230a_100000746373_200025704644 [1,0,0,1,0,0|2,0,0]=4 17600 B9R1.8 [13CH3]NCC1CCOCC1 34a_100000746373_200025704644 [1,0,0,1,0,0|2,0,0]=4 17601 B9R1.8 [13CH3]NCC1CCSCC1 2230a_100015188806_200025704644 [1,0,0,1,0,0|2,0,0]=4 17602 B9R1.8 [13CH3]NCC1CCSCC1 34a_100015188806_200025704644 [1,0,0,1,0,0|2,0,0]=4 17603 B9R1.8 [13CH3]OCC1CC=CCC1 34a_100000210713_200025704644 [1,0,0,1,0,0|1,0,1]=4 17604 B9R1.8 [13CH3]OCC1CCCCC1 34a_100000212181_200025704644 [1,0,0,1,0,0|1,0,1]=4 17605 B9R1.8 [13CH3]OCC1CCCCC1 7a_100000212181_200025704644 [1,0,0,1,0,0|1,0,1]=4 17606 B9R1.8 [13CH3]OCC1CCNCC1 34a_100000738675_200025704644 [1,0,0,1,0,0|2,0,0]=4 17607 B9R1.8 [13CH3]OCC1CCOCC1 34a_100000749013_200025704644 [1,0,0,1,0,0|2,0,0]=4 17608 B9R1.8 [13CH3]OCC1CCSCC1 34a_100000070558_200025704644 [1,0,0,1,0,0|2,0,0]=4 17609 B9R1.8 [13CH3]OCC1CCSCC1 7a_100000070558_200025704644 [1,0,0,1,0,0|2,0,0]=4 17610 B9R1.8 [13CH3]SCC1CCCCC1 62a_100000211423_200025704644 [1,0,0,1,0,0|1,0,1]=4 17611 B9R1.8 [13CH3]SCC1CCCCC1 62a_200025704644_100000211423 [1,0,0,1,0,0|1,0,1]=4 17612 B9R1.8 [13CH3]SCC1CCOCC1 62a_100000754603_200025704644 [1,0,0,1,0,0|2,0,0]=4 17613 B9R1.8 [13CH3]SCC1CCOCC1 62a_200025704644_100000749018 [1,0,0,1,0,0|2,0,0]=4 17614 B9R1.12 C/C=C/CN1CCCC1 269982a_100000188435_100102629194 [1,0,0,1,0,0|1,0,1]=4 17615 B9R1.12 CC=CCN1CCCC1 2230a_100000188435_100000070051 [1,0,0,1,0,0|1,0,1]=4 17616 B9R1.12 CCCCN1CC=CC1 269982a_100015195280_100000210211 [1,0,0,1,0,0|1,0,1]=4 17617 B9R1.12 CCCCN1CCCC1 2230a_100000188435_100000210211 [1,0,0,1,0,0|1,0,1]=4 17618 B9R1.12 CCCCN1CCCC1 269982a_100000188435_100000210211 [1,0,0,1,0,0|1,0,1]=4 17619 B9R1.12 CCCCN1CCSC1 2230a_100011215254_100000210211 [1,0,0,1,0,0|2,0,0]=4 17620 B9R1.12 CCCCN1CCSC1 269982a_100011215254_100000210211 [1,0,0,1,0,0|2,0,0]=4 17621 B9R1.12 CCCNC1CC=CC1 2230a_100015188752_100000210303 [1,0,0,1,0,0|1,0,1]=4 17622 B9R1.12 CCCNC1CCCC1 2230a_100000211070_100000210303 [1,0,0,1,0,0|1,0,1]=4 17623 B9R1.12 CCCNC1CCCC1 270004a_100020643023_100000210133 [1,0,0,1,0,0|1,0,1]=4 17624 B9R1.12 CCCNC1CCCC1 34a_100000211070_100000210303 [1,0,0,1,0,0|1,0,1]=4 17625 B9R1.12 CCCNC1CCOC1 270004a_100020643023_100000752484 [1,0,0,1,0,0|2,0,0]=4 17626 B9R1.12 CCCNC1CCSC1 270004a_100020643023_100000212027 [1,0,0,1,0,0|2,0,0]=4 17627 B9R1.12 CCCN[C@@H]1CCOC1 2230a_200015188469_100000210303 [1,0,0,1,0,0|2,0,0]=4 17628 B9R1.12 CCCN[C@H]1CCOC1 2230a_100015188467_100000210303 [1,0,0,1,0,0|2,0,0]=4 17629 B9R1.12 CCCN[C@H]1CCOC1 34a_100015188467_100000210303 [1,0,0,1,0,0|2,0,0]=4 17630 B9R1.12 CCCOC1CCCC1 34a_100000210258_100000179811 [1,0,0,1,0,0|1,0,1]=4 17631 B9R1.12 CCCOC1CCCC1 34a_100000210269_100000210303 [1,0,0,1,0,0|1,0,1]=4 17632 B9R1.12 CCCOC1CCCC1 7a_100000210269_100000210303 [1,0,0,1,0,0|1,0,1]=4 17633 B9R1.12 CCCOC1CCOC1 34a_100000210258_100000690089 [1,0,0,1,0,0|2,0,0]=4 17634 B9R1.12 CCCOC1CCSC1 7a_100011232664_100000210303 [1,0,0,1,0,0|2,0,0]=4 17635 B9R1.12 CCCO[C@H]1CCOC1 34a_100000717292_100000210303 [1,0,0,1,0,0|2,0,0]=4 17636 B9R1.12 CCCSC1CCCC1 62a_100000210303_100000179811 [1,0,0,1,0,0|1,0,1]=4 17637 B9R1.12 CCCSC1CCCC1 62a_100011217020_100000210303 [1,0,0,1,0,0|1,0,1]=4 17638 B9R1.12 CCCSC1CCOC1 62a_100000210303_100000690089 [1,0,0,1,0,0|2,0,0]=4 17639 B9R1.12 CCNCC1CCCC1 2230a_100000737975_100000210202 [1,0,0,1,0,0|1,0,0]=3 17640 B9R1.12 CCNCC1CCCC1 2230a_100015525214_100000740388 [1,0,0,1,0,0|1,0,0]=3 17641 B9R1.12 CCNCC1CCCC1 269862a_100015525214_100000746403 [1,0,0,1,0,0|1,0,0]=3 17642 B9R1.12 CCNCC1CCCC1 34a_100000737975_100000210202 [1,0,0,1,0,0|1,0,0]=3 17643 B9R1.12 CCNCC1CCCO1 2230a_100015525214_100000203698 [1,0,0,1,0,0|2,0,0]=4 17644 B9R1.12 CCNCC1CCOC1 2230a_100000737293_100000210202 [1,0,0,1,0,0|2,0,0]=4 17645 B9R1.12 CCNCC1CCOC1 2230a_100015525214_100000702531 [1,0,0,1,0,0|2,0,0]=4 17646 B9R1.12 CCNCC1CCOC1 34a_100000737293_100000210202 [1,0,0,1,0,0|2,0,0]=4 17647 B9R1.12 CCNC[C@@H]1CCCO1 2230a_100020590478_100000210202 [1,0,0,1,0,0|2,0,0]=4 17648 B9R1.12 CCNC[C@@H]1CCCO1 34a_100020590478_100000210202 [1,0,0,1,0,0|2,0,0]=4 17649 B9R1.12 CCOCC1CC=CC1 34a_100000688395_100000210202 [1,0,0,1,0,0|1,0,1]=4 17650 B9R1.12 CCOCC1CCCC1 34a_100000742336_100000210202 [1,0,0,1,0,0|1,0,0]=3 17651 B9R1.12 CCOCC1CCCC1 34a_100121572206_100000740388 [1,0,0,1,0,0|1,0,0]=3 17652 B9R1.12 CCOCC1CCCC1 7a_100000742336_100000210202 [1,0,0,1,0,0|1,0,0]=3 17653 B9R1.12 CCOCC1CCCO1 34a_100000210270_100000210202 [1,0,0,1,0,0|2,0,0]=4 17654 B9R1.12 CCOCC1CCCO1 7a_100000210270_100000210202 [1,0,0,1,0,0|2,0,0]=4 17655 B9R1.12 CCOCC1CCNC1 34a_100000748654_100000210202 [1,0,0,1,0,0|2,0,0]=4 17656 B9R1.12 CCOCC1CCOC1 34a_100000740260_100000210202 [1,0,0,1,0,0|2,0,0]=4 17657 B9R1.12 CCOCC1CCOC1 34a_100121572206_100011261433 [1,0,0,1,0,0|2,0,0]=4 17658 B9R1.12 CCOCN1CCCC1 269982a_100000188435_100000739092 [1,0,0,1,0,0|2,0,0]=4 17659 B9R1.12 CCOC[C@H]1CCCN1 34a_100000745186_100000210202 [1,0,0,1,0,0|2,0,0]=4 17660 B9R1.12 CCSCC1CCCC1 62a_100000210202_100000740388 [1,0,0,1,0,0|1,0,0]=3 17661 B9R1.12 CCSCC1CCCC1 62a_100000740388_100000210202 [1,0,0,1,0,0|1,0,0]=3 17662 B9R1.12 CCSCC1CCCO1 62a_100000203698_100000210202 [1,0,0,1,0,0|2,0,0]=4 17663 B9R1.12 CCSCC1CCCO1 62a_100000210202_100000203698 [1,0,0,1,0,0|2,0,0]=4 17664 B9R1.12 CCSCC1CCOC1 62a_100000210202_100000702531 [1,0,0,1,0,0|2,0,0]=4 17665 B9R1.12 CCSCC1CCOC1 62a_100000702531_100000210202 [1,0,0,1,0,0|2,0,0]=4 17666 B9R1.12 CNCCC1CCCC1 2230a_100000739158_200000210301 [1,0,0,1,0,0|1,0,1]=4 17667 B9R1.12 CNCCC1CCCC1 2230a_106832991635_100000760354 [1,0,0,1,0,0|1,0,1]=4 17668 B9R1.12 CNCCC1CCCC1 34a_100000739158_200000210301 [1,0,0,1,0,0|1,0,1]=4 17669 B9R1.12 CNCCC1CCCC1 34a_100102657272_100000760354 [1,0,0,1,0,0|1,0,1]=4 17670 B9R1.12 CNCCC1CCCC1 7a_106832991635_100000760354 [1,0,0,1,0,0|1,0,1]=4 17671 B9R1.12 COCCC1CCCC1 34a_100000749090_200000210301 [1,0,0,1,0,0|1,0,1]=4 17672 B9R1.12 COCCC1CCCC1 34a_100138415774_100000760354 [1,0,0,1,0,0|1,0,1]=4 17673 B9R1.12 COCCC1CCCC1 7a_100000749090_200000210301 [1,0,0,1,0,0|1,0,1]=4 17674 B9R1.12 COCCC1CCNC1 34a_100016987287_200000210301 [1,0,0,1,0,0|2,0,0]=4 17675 B9R1.12 COCCC1CCOC1 34a_100011879284_200000210301 [1,0,0,1,0,0|2,0,0]=4 17676 B9R1.12 CSCCC1CCCC1 62a_100000760354_200000210301 [1,0,0,1,0,0|1,0,1]=4 17677 B9R1.12 CSCCC1CCCC1 62a_200000210301_100000760354 [1,0,0,1,0,0|1,0,1]=4 17678 B9R1.12 FCNCC1CCCC1 34a_100000737975_100015361967 [1,0,0,1,0,0|2,0,0]=4 17679 B9R1.12 FCOCC1CCCC1 34a_100000742336_100015361967 [1,0,0,1,0,0|2,0,0]=4 17680 B9R1.12 FCOCC1CCCC1 7a_100000742336_100015361967 [1,0,0,1,0,0|2,0,0]=4 17681 B9R1.12 FCSCC1CCCC1 62a_100000740388_100015361967 [1,0,0,1,0,0|2,0,0]=4 17682 B9R1.12 FCSCC1CCCC1 62a_100015361967_100000740388 [1,0,0,1,0,0|2,0,0]=4 17683 B9R1.12 [13CH3]NCCC1CCCC1 2230a_100000739158_200025704644 [1,0,0,1,0,0|1,0,1]=4 17684 B9R1.12 [13CH3]NCCC1CCCC1 34a_100000739158_200025704644 [1,0,0,1,0,0|1,0,1]=4 17685 B9R1.12 [13CH3]OCCC1CCCC1 34a_100000749090_200025704644 [1,0,0,1,0,0|1,0,1]=4 17686 B9R1.12 [13CH3]OCCC1CCCC1 7a_100000749090_200025704644 [1,0,0,1,0,0|1,0,1]=4 17687 B9R1.12 [13CH3]OCCC1CCNC1 34a_100016987287_200025704644 [1,0,0,1,0,0|2,0,0]=4 17688 B9R1.12 [13CH3]OCCC1CCOC1 34a_100011879284_200025704644 [1,0,0,1,0,0|2,0,0]=4 17689 B9R1.12 [13CH3]SCCC1CCCC1 62a_100000760354_200025704644 [1,0,0,1,0,0|1,0,1]=4 17690 B9R1.12 [13CH3]SCCC1CCCC1 62a_200025704644_100000760354 [1,0,0,1,0,0|1,0,1]=4 17691 B9R1.14 CCC1CCCC1NC 269862a_106832991636_100000749056 [1,0,0,1,0,0|1,0,1]=4 17692 B9R1.14 CCC1CCCC1NC 270004a_106832991635_100000749056 [1,0,0,1,0,0|1,0,1]=4 17693 B9R1.14 CCC1CCCN1CC 2230a_100000754278_100000210202 [1,0,0,1,0,0|1,0,0]=3 17694 B9R1.14 CCC1CCCN1CC 269982a_100000754278_100000204670 [1,0,0,1,0,0|1,0,0]=3 17695 B9R1.14 CCC1CCCN1CC 34a_100000754278_100000210202 [1,0,0,1,0,0|1,0,0]=3 17696 B9R1.14 CCC1CCCN1CF 269982a_100000754278_100015361967 [1,0,0,1,0,0|2,0,0]=4 17697 B9R1.14 CCC1CCCN1CF 34a_100000754278_100015361967 [1,0,0,1,0,0|2,0,0]=4 17698 B9R1.14 CCN1CCC[C@@H]1CO 2230a_100000745186_100000210202 [1,0,0,1,0,0|2,0,0]=4 17699 B9R1.14 CCN1CCC[C@@H]1CO 269982a_100000745186_100000204670 [1,0,0,1,0,0|2,0,0]=4 17700 B9R1.14 CCN1CCC[C@@H]1CO 34a_100000745186_100000210202 [1,0,0,1,0,0|2,0,0]=4 17701 B9R1.15 CC1CCCCC1N[13CH3] 2230a_100000211402_200025704644 [1,0,0,1,0,0|1,0,1]=4 17702 B9R1.15 CC1CCCCC1N[13CH3] 34a_100000211402_200025704644 [1,0,0,1,0,0|1,0,1]=4 17703 B9R1.15 CC1CCCCC1O[13CH3] 34a_100000211207_200025704644 [1,0,0,1,0,0|1,0,1]=4 17704 B9R1.15 CC1CCCCC1O[13CH3] 7a_100000211207_200025704644 [1,0,0,1,0,0|1,0,1]=4 17705 B9R1.15 CC1CCCCN1CF 269982a_100000211376_100015361967 [1,0,0,1,0,0|2,0,0]=4 17706 B9R1.15 CC1CCCCN1CF 34a_100000211376_100015361967 [1,0,0,1,0,0|2,0,0]=4 17707 B9R1.15 CCC1CCCCN1C 2230a_100000210034_200000210301 [1,0,0,1,0,0|1,0,1]=4 17708 B9R1.15 CCC1CCCCN1C 269982a_100000210034_200000210301 [1,0,0,1,0,0|1,0,1]=4 17709 B9R1.15 CCC1CCCCN1C 34a_100000210034_200000210301 [1,0,0,1,0,0|1,0,1]=4 17710 B9R1.15 CCC1CCCCN1[13CH3] 2230a_100000210034_200025704644 [1,0,0,1,0,0|1,0,1]=4 17711 B9R1.15 CCC1CCCCN1[13CH3] 269982a_100000210034_200025704644 [1,0,0,1,0,0|1,0,1]=4 17712 B9R1.15 CCC1CCCCN1[13CH3] 34a_100000210034_200025704644 [1,0,0,1,0,0|1,0,1]=4 17713 B9R1.15 CCN1CCCCC1C 2230a_100000211376_100000210202 [1,0,0,1,0,0|1,0,0]=3 17714 B9R1.15 CCN1CCCCC1C 269982a_100000211376_100000204670 [1,0,0,1,0,0|1,0,0]=3 17715 B9R1.15 CCN1CCCCC1C 34a_100000211376_100000210202 [1,0,0,1,0,0|1,0,0]=3 17716 B9R1.15 CCN1CCOC[C@@H]1C 2230a_100009815349_100000210202 [1,0,0,1,0,0|2,0,0]=4 17717 B9R1.15 CCN1CCOC[C@@H]1C 269982a_100009815349_100000204670 [1,0,0,1,0,0|2,0,0]=4 17718 B9R1.15 CCN1CCOC[C@@H]1C 34a_100009815349_100000210202 [1,0,0,1,0,0|2,0,0]=4 17719 B9R1.15 CNC1CCCCC1C 2230a_100000211402_200000210301 [1,0,0,1,0,0|1,0,1]=4 17720 B9R1.15 CNC1CCCCC1C 269862a_106832991636_100000210921 [1,0,0,1,0,0|1,0,1]=4 17721 B9R1.15 CNC1CCCCC1C 270004a_106832991635_100000210921 [1,0,0,1,0,0|1,0,1]=4 17722 B9R1.15 CNC1CCCCC1C 34a_100000211402_200000210301 [1,0,0,1,0,0|1,0,1]=4 17723 B9R1.15 COC1CCCCC1C 34a_100000211207_200000210301 [1,0,0,1,0,0|1,0,1]=4 17724 B9R1.15 COC1CCCCC1C 7a_100000211207_200000210301 [1,0,0,1,0,0|1,0,1]=4 17725 B9R1.16 CCCOCC1CC1C 34a_100000744939_100000210303 [1,0,0,1,0,0|1,0,1]=4 17726 B9R1.16 CCCOCC1CC1C 7a_100000744939_100000210303 [1,0,0,1,0,0|1,0,1]=4 17727 B9R1.17 C/C=C/CNC1CCC1 34a_100000749019_100102629194 [1,0,0,1,0,0|1,0,1]=4 17728 B9R1.17 C/C=C/COC1CCC1 34a_100000748187_100102629194 [1,0,0,1,0,0|1,0,1]=4 17729 B9R1.17 C/C=C/COC1CCC1 34a_100016270725_100000749161 [1,0,0,1,0,0|1,0,1]=4 17730 B9R1.17 C/C=C/CSC1CCC1 62a_100102629194_100000749161 [1,0,0,1,0,0|1,0,1]=4 17731 B9R1.17 CC/C=C\CN1CCC1 269982a_100000754969_100103147603 [1,0,0,1,0,0|1,0,1]=4 17732 B9R1.17 CC=CCNC1CCC1 2230a_100000749019_100000070051 [1,0,0,1,0,0|1,0,1]=4 17733 B9R1.17 CC=CCNC1CCC1 34a_100000749019_100000070051 [1,0,0,1,0,0|1,0,1]=4 17734 B9R1.17 CC=CCOC1CCC1 34a_100000748187_100000070051 [1,0,0,1,0,0|1,0,1]=4 17735 B9R1.17 CC=CCSC1CCC1 62a_100000070051_100000749161 [1,0,0,1,0,0|1,0,1]=4 17736 B9R1.17 CCC=NNC1CCC1 4a_100000736358_100000210100 [1,0,0,1,0,0|2,0,0]=4 17737 B9R1.17 CCCCCN1CCC1 269982a_100000754969_100000210215 [1,0,0,1,0,0|1,0,1]=4 17738 B9R1.17 CCCCNC1CCC1 2230a_100000749019_100000210211 [1,0,0,1,0,0|1,0,1]=4 17739 B9R1.17 CCCCNC1CCC1 270004a_100000102301_100000241760 [1,0,0,1,0,0|1,0,1]=4 17740 B9R1.17 CCCCNC1CCC1 34a_100000749019_100000210210 [1,0,0,1,0,0|1,0,1]=4 17741 B9R1.17 CCCCOC1CCC1 34a_100000210227_100000749161 [1,0,0,1,0,0|1,0,1]=4 17742 B9R1.17 CCCCOC1CCC1 34a_100000748187_100000210210 [1,0,0,1,0,0|1,0,1]=4 17743 B9R1.17 CCCCSC1CCC1 62a_100000210211_100000749161 [1,0,0,1,0,0|1,0,1]=4 17744 B9R1.17 CCCNCC1CCC1 2230a_100000738700_100000210303 [1,0,0,1,0,0|1,0,1]=4 17745 B9R1.17 CCCNCC1CCC1 269862a_100020643023_100000753134 [1,0,0,1,0,0|1,0,1]=4 17746 B9R1.17 CCCNCC1CCC1 34a_100000738700_100000210303 [1,0,0,1,0,0|1,0,1]=4 17747 B9R1.17 CCCNC[C@@H]1CCO1 2230a_100020831831_100000210303 [1,0,0,1,0,0|2,0,0]=4 17748 B9R1.17 CCCNC[C@@H]1CCO1 34a_100020831831_100000210303 [1,0,0,1,0,0|2,0,0]=4 17749 B9R1.17 CCCOCC1CCC1 34a_100000210258_100000763275 [1,0,0,1,0,0|1,0,1]=4 17750 B9R1.17 CCCOCC1CCC1 34a_100000760304_100000210303 [1,0,0,1,0,0|1,0,1]=4 17751 B9R1.17 CCCOCC1CCO1 34a_100000039022_100000210303 [1,0,0,1,0,0|2,0,0]=4 17752 B9R1.17 CCCOCC1CCO1 34a_100000210258_100000103362 [1,0,0,1,0,0|2,0,0]=4 17753 B9R1.17 CCCSCC1CCC1 62a_100000210303_100000763275 [1,0,0,1,0,0|1,0,1]=4 17754 B9R1.17 CCCSCC1CCC1 62a_100000763275_100000210303 [1,0,0,1,0,0|1,0,1]=4 17755 B9R1.17 CCCSCC1CCO1 62a_100000103362_100000210303 [1,0,0,1,0,0|2,0,0]=4 17756 B9R1.17 CCCSCC1CCO1 62a_100000210303_100000103362 [1,0,0,1,0,0|2,0,0]=4 17757 B9R1.17 CCOCCC1COC1 34a_100009855314_100000210202 [1,0,0,1,0,0|2,0,0]=4 17758 B9R1.17 CCOCCN1CCC1 269982a_100000754969_100011215890 [1,0,0,1,0,0|2,0,0]=4 17759 B9R1.17 CCOCSC1CCC1 62a_100000739092_100000749161 [1,0,0,1,0,0|2,0,0]=4 17760 B9R1.17 CCSCCN1CCC1 269982a_100000754969_100000757381 [1,0,0,1,0,0|2,0,0]=4 17761 B9R1.33 CC1CCCC1OCF 34a_100011216460_100015361967 [1,0,0,1,0,0|2,0,0]=4 17762 B9R1.33 CC1CCCC1OCF 7a_100011216460_100015361967 [1,0,0,1,0,0|2,0,0]=4 17763 B9R1.33 CCCN1CCC[C@@H]1C 2230a_100020605311_100000210303 [1,0,0,1,0,0|1,0,1]=4 17764 B9R1.33 CCCN1CCC[C@@H]1C 269982a_100020605311_100000210303 [1,0,0,1,0,0|1,0,1]=4 17765 B9R1.33 CCCN1CCC[C@H]1C 2230a_100015189458_100000210303 [1,0,0,1,0,0|1,0,1]=4 17766 B9R1.33 CCCN1CCC[C@H]1C 269982a_100015189458_100000210303 [1,0,0,1,0,0|1,0,1]=4 17767 B9R1.33 CCCN1CCC[C@H]1C 34a_100015189458_100000210303 [1,0,0,1,0,0|1,0,1]=4 17768 B9R1.33 CCCN1CCSC1C 2230a_200011216479_100000210303 [1,0,0,1,0,0|2,0,0]=4 17769 B9R1.33 CCCN1CCSC1C 269982a_200011216479_100000210303 [1,0,0,1,0,0|2,0,0]=4 17770 B9R1.33 CCCN1CCSC1C 34a_200011216479_100000210303 [1,0,0,1,0,0|2,0,0]=4 17771 B9R1.33 CCNC1CCCC1C 269862a_100015525214_100000752053 [1,0,0,1,0,0|1,0,0]=3 17772 B9R1.33 CCNC1CCOC1C 270004a_100015525214_100000691750 [1,0,0,1,0,0|2,0,0]=4 17773 B9R1.33 CCOC1CCCC1C 34a_100011216460_100000210202 [1,0,0,1,0,0|1,0,0]=3 17774 B9R1.33 CCOC1CCCC1C 7a_100011216460_100000210202 [1,0,0,1,0,0|1,0,0]=3 17775 B9R1.33 CCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000210202 [1,0,0,1,0,0|2,0,0]=4 17776 B9R1.33 CCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000210202 [1,0,0,1,0,0|2,0,0]=4 17777 B9R1.33 CCO[C@H]1CNC[C@H]1C 34a_200015306588_100000210202 [1,0,0,1,0,0|2,0,0]=4 17778 B9R1.33 CCS[C@@H]1CCC[C@H]1O 62a_100000210202_200016002552 [1,0,0,1,0,0|2,0,0]=4 17779 B9R1.33 CCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210202 [1,0,0,1,0,0|2,0,0]=4 17780 B9R1.39 C/C=C/CN1CCC1C 269982a_100000755817_100102629194 [1,0,0,1,0,0|1,0,1]=4 17781 B9R1.39 C/C=C/CN1CCC1C 34a_100000755817_100102629194 [1,0,0,1,0,0|1,0,1]=4 17782 B9R1.39 CC=CCN1CCC1C 34a_100000755817_100000070051 [1,0,0,1,0,0|1,0,1]=4 17783 B9R1.39 CCCCN1CCC1C 269982a_100000755817_100000210211 [1,0,0,1,0,0|1,0,1]=4 17784 B9R1.39 CCCCN1CCC1C 34a_100000755817_100000210210 [1,0,0,1,0,0|1,0,1]=4 17785 B9R1.39 CCOCN1CCC1C 269982a_100000755817_100000739092 [1,0,0,1,0,0|2,0,0]=4 17786 B9R1.50 CN1CCCCCCC1 2230a_100000211400_200000210301 [1,0,0,1,0,0|1,0,1]=4 17787 B9R1.50 CN1CCCCCCC1 269982a_100000211400_200000210301 [1,0,0,1,0,0|1,0,1]=4 17788 B9R1.50 CN1CCCCCCC1 34a_100000211400_200000210301 [1,0,0,1,0,0|1,0,1]=4 17789 B9R1.50 [13CH3]N1CCCCCCC1 2230a_100000211400_200025704644 [1,0,0,1,0,0|1,0,1]=4 17790 B9R1.50 [13CH3]N1CCCCCCC1 269982a_100000211400_200025704644 [1,0,0,1,0,0|1,0,1]=4 17791 B9R1.50 [13CH3]N1CCCCCCC1 34a_100000211400_200025704644 [1,0,0,1,0,0|1,0,1]=4 17792 B9R1.83 C/C=C/CCOC1CC1 34a_100016278192_100000211595 [1,0,0,1,0,0|1,0,1]=4 17793 B9R1.83 C/C=C/CNCC1CC1 34a_100000735609_100102629194 [1,0,0,1,0,0|1,0,1]=4 17794 B9R1.83 C/C=C/COCC1CC1 34a_100000211283_100102629194 [1,0,0,1,0,0|1,0,1]=4 17795 B9R1.83 C/C=C/COCC1CC1 34a_100016270725_100000742324 [1,0,0,1,0,0|1,0,1]=4 17796 B9R1.83 C/C=C/CSCC1CC1 62a_100000756562_100102629194 [1,0,0,1,0,0|1,0,1]=4 17797 B9R1.83 C/C=C/CSCC1CC1 62a_100102629194_100000742324 [1,0,0,1,0,0|1,0,1]=4 17798 B9R1.83 CC/C=C\CNC1CC1 34a_100000212008_100103147603 [1,0,0,1,0,0|1,0,1]=4 17799 B9R1.83 CC/C=C\COC1CC1 34a_100016268518_100000211595 [1,0,0,1,0,0|1,0,1]=4 17800 B9R1.83 CC/C=C\CSC1CC1 62a_100103147603_100000211595 [1,0,0,1,0,0|1,0,1]=4 17801 B9R1.83 CC=CCNCC1CC1 2230a_100000735609_100000070051 [1,0,0,1,0,0|1,0,1]=4 17802 B9R1.83 CC=CCNCC1CC1 34a_100000735609_100000070051 [1,0,0,1,0,0|1,0,1]=4 17803 B9R1.83 CC=CCOCC1CC1 34a_100000211283_100000070051 [1,0,0,1,0,0|1,0,1]=4 17804 B9R1.83 CC=CCSCC1CC1 62a_100000070051_100000742324 [1,0,0,1,0,0|1,0,1]=4 17805 B9R1.83 CC=CCSCC1CC1 62a_100000756562_100000070051 [1,0,0,1,0,0|1,0,1]=4 17806 B9R1.83 CCC=NNCC1CC1 4a_100000736359_100000210100 [1,0,0,1,0,0|2,0,0]=4 17807 B9R1.83 CCCCCNC1CC1 34a_100000212008_100000718602 [1,0,0,1,0,0|1,0,1]=4 17808 B9R1.83 CCCCCOC1CC1 34a_100000210253_100000211595 [1,0,0,1,0,0|1,0,1]=4 17809 B9R1.83 CCCCCSC1CC1 62a_100000210326_100000211595 [1,0,0,1,0,0|1,0,1]=4 17810 B9R1.83 CCCCNCC1CC1 2230a_100000102301_100000742324 [1,0,0,1,0,0|1,0,1]=4 17811 B9R1.83 CCCCNCC1CC1 2230a_100000735609_100000210211 [1,0,0,1,0,0|1,0,1]=4 17812 B9R1.83 CCCCNCC1CC1 269862a_100000102301_100000741477 [1,0,0,1,0,0|1,0,1]=4 17813 B9R1.83 CCCCNCC1CC1 34a_100000735609_100000210210 [1,0,0,1,0,0|1,0,1]=4 17814 B9R1.83 CCCCNCC1CC1 7a_106832991798_100000742324 [1,0,0,1,0,0|1,0,1]=4 17815 B9R1.83 CCCCOCC1CC1 34a_100000210227_100000742324 [1,0,0,1,0,0|1,0,1]=4 17816 B9R1.83 CCCCOCC1CC1 34a_100000211283_100000210210 [1,0,0,1,0,0|1,0,1]=4 17817 B9R1.83 CCCCOCC1CC1 7a_100000210227_100000742324 [1,0,0,1,0,0|1,0,1]=4 17818 B9R1.83 CCCCSCC1CC1 62a_100000210211_100000742324 [1,0,0,1,0,0|1,0,1]=4 17819 B9R1.83 CCCCSCC1CC1 62a_100000756562_100000210210 [1,0,0,1,0,0|1,0,1]=4 17820 B9R1.83 CCCNCCC1CC1 34a_100000764129_100000210303 [1,0,0,1,0,0|1,0,1]=4 17821 B9R1.83 CCCOCCC1CC1 34a_100000210258_100000694398 [1,0,0,1,0,0|1,0,1]=4 17822 B9R1.83 CCCOCCC1CC1 34a_100000754188_100000210303 [1,0,0,1,0,0|1,0,1]=4 17823 B9R1.83 CCCOCCC1CC1 7a_100000754188_100000210303 [1,0,0,1,0,0|1,0,1]=4 17824 B9R1.83 CCCSCCC1CC1 62a_100000210303_100000764125 [1,0,0,1,0,0|1,0,1]=4 17825 B9R1.83 CCCSCCC1CC1 62a_100000764125_100000210303 [1,0,0,1,0,0|1,0,1]=4 17826 B9R1.83 CCNCCCC1CO1 2230a_100015525214_100000733510 [1,0,0,1,0,0|2,0,0]=4 17827 B9R1.83 CCOCCCC1CO1 34a_100121572206_100000733510 [1,0,0,1,0,0|2,0,0]=4 17828 B9R1.83 CCOCCNC1CC1 34a_100000212008_100000210147 [1,0,0,1,0,0|2,0,0]=4 17829 B9R1.83 CCOCCNC1CC1 34a_100000738766_100000210202 [1,0,0,1,0,0|2,0,0]=4 17830 B9R1.83 CCOCCNC1CC1 34a_102516460346_100000211595 [1,0,0,1,0,0|2,0,0]=4 17831 B9R1.83 CCOCCOC1CC1 34a_100000210136_100000211595 [1,0,0,1,0,0|2,0,0]=4 17832 B9R1.83 CCOCCSC1CC1 62a_100000210147_100000211595 [1,0,0,1,0,0|2,0,0]=4 17833 B9R1.83 CCOCSCC1CC1 62a_100000739092_100000742324 [1,0,0,1,0,0|2,0,0]=4 17834 B9R1.83 CCOCSCC1CC1 62a_100000756562_100000739092 [1,0,0,1,0,0|2,0,0]=4 17835 B9R1.83 CCSCCCC1CO1 62a_100000210202_100000733510 [1,0,0,1,0,0|2,0,0]=4 17836 B9R1.83 CCSCCCC1CO1 62a_100000733510_100000210202 [1,0,0,1,0,0|2,0,0]=4 17837 B9R1.83 CCSCCNC1CC1 34a_100000212008_100000757381 [1,0,0,1,0,0|2,0,0]=4 17838 B9R1.83 CCSCCOC1CC1 34a_100000212035_100000211595 [1,0,0,1,0,0|2,0,0]=4 17839 B9R1.83 CCSCCSC1CC1 62a_100000757381_100000211595 [1,0,0,1,0,0|2,0,0]=4 17840 B9R1.89 CCN1CCCCCC1 2230a_100000185865_100000210202 [1,0,0,1,0,0|1,0,0]=3 17841 B9R1.89 CCN1CCCCCC1 269982a_100000185865_100000204670 [1,0,0,1,0,0|1,0,0]=3 17842 B9R1.89 CCN1CCCCCC1 34a_100000185865_100000210202 [1,0,0,1,0,0|1,0,0]=3 17843 B9R1.89 CCN1CCCOCC1 2230a_100000685342_100000210202 [1,0,0,1,0,0|2,0,0]=4 17844 B9R1.89 CCN1CCCOCC1 269982a_100000685342_100000204670 [1,0,0,1,0,0|2,0,0]=4 17845 B9R1.89 CCN1CCCOCC1 34a_100000685342_100000210202 [1,0,0,1,0,0|2,0,0]=4 17846 B9R1.89 CNC1CCCCCC1 2230a_100000210984_200000210301 [1,0,0,1,0,0|1,0,1]=4 17847 B9R1.89 CNC1CCCCCC1 270004a_106832991635_100000210131 [1,0,0,1,0,0|1,0,1]=4 17848 B9R1.89 CNC1CCCCCC1 34a_100000210984_200000210301 [1,0,0,1,0,0|1,0,1]=4 17849 B9R1.89 CNC1CCCCCC1 34a_100102657272_100011217769 [1,0,0,1,0,0|1,0,1]=4 17850 B9R1.89 CNC1CCCNCC1 270004a_106832991635_100015187895 [1,0,0,1,0,0|2,0,0]=4 17851 B9R1.89 COC1CCCCCC1 34a_100000210887_200000210301 [1,0,0,1,0,0|1,0,1]=4 17852 B9R1.89 COC1CCCCCC1 34a_100138415774_100011217769 [1,0,0,1,0,0|1,0,1]=4 17853 B9R1.89 COC1CCCCCC1 7a_100000210887_200000210301 [1,0,0,1,0,0|1,0,1]=4 17854 B9R1.89 CSC1CCCCCC1 62a_100011217769_200000210301 [1,0,0,1,0,0|1,0,1]=4 17855 B9R1.89 CSC1CCCCCC1 62a_200000210301_100011217769 [1,0,0,1,0,0|1,0,1]=4 17856 B9R1.89 FCN1CCCCCC1 269982a_100000185865_100015361967 [1,0,0,1,0,0|2,0,0]=4 17857 B9R1.89 FCN1CCCCCC1 34a_100000185865_100015361967 [1,0,0,1,0,0|2,0,0]=4 17858 B9R1.89 [13CH3]NC1CCCCCC1 2230a_100000210984_200025704644 [1,0,0,1,0,0|1,0,1]=4 17859 B9R1.89 [13CH3]NC1CCCCCC1 34a_100000210984_200025704644 [1,0,0,1,0,0|1,0,1]=4 17860 B9R1.89 [13CH3]OC1CCCCCC1 34a_100000210887_200025704644 [1,0,0,1,0,0|1,0,1]=4 17861 B9R1.89 [13CH3]OC1CCCCCC1 7a_100000210887_200025704644 [1,0,0,1,0,0|1,0,1]=4 17862 B9R1.89 [13CH3]SC1CCCCCC1 62a_100011217769_200025704644 [1,0,0,1,0,0|1,0,1]=4 17863 B9R1.89 [13CH3]SC1CCCCCC1 62a_200025704644_100011217769 [1,0,0,1,0,0|1,0,1]=4 17864 B9R1.1 C=C1CCC(CC1)NC 270004a_106832991635_100010272673 [1,0,0,1,0,0|2,0,0]=4 17865 B9R1.1 C=C1CCN(CC1)CC 2230a_100000752442_100000210202 [1,0,0,1,0,0|2,0,0]=4 17866 B9R1.1 C=C1CCN(CC1)CC 269982a_100000752442_100000204670 [1,0,0,1,0,0|2,0,0]=4 17867 B9R1.1 C=C1CCN(CC1)CC 34a_100000752442_100000210202 [1,0,0,1,0,0|2,0,0]=4 17868 B9R1.1 CCC1CCN(CC1)C 2230a_100000754474_200000210301 [1,0,0,1,0,0|2,0,0]=4 17869 B9R1.1 CCC1CCN(CC1)C 269982a_100000754474_200000210301 [1,0,0,1,0,0|2,0,0]=4 17870 B9R1.1 CCC1CCN(CC1)C 34a_100000754474_200000210301 [1,0,0,1,0,0|2,0,0]=4 17871 B9R1.1 CCC1CCN(CC1)[13CH3] 2230a_100000754474_200025704644 [1,0,0,1,0,0|2,0,0]=4 17872 B9R1.1 CCC1CCN(CC1)[13CH3] 269982a_100000754474_200025704644 [1,0,0,1,0,0|2,0,0]=4 17873 B9R1.1 CCC1CCN(CC1)[13CH3] 34a_100000754474_200025704644 [1,0,0,1,0,0|2,0,0]=4 17874 B9R1.1 CCN1CCS(=O)CC1 2230a_100000752083_100000210202 [1,0,0,1,0,0|2,0,0]=4 17875 B9R1.1 CCN1CCS(=O)CC1 269982a_100000752083_100000204670 [1,0,0,1,0,0|2,0,0]=4 17876 B9R1.1 CNC1CCC(=O)NC1 2230a_100000748762_200000210301 [1,0,0,1,0,0|2,0,0]=4 17877 B9R1.1 CNC1CCC(=O)NC1 34a_100000748762_200000210301 [1,0,0,1,0,0|2,0,0]=4 17878 B9R1.1 COC1CCC(=O)CC1 34a_100000764474_200000210301 [1,0,0,1,0,0|1,0,0]=3 17879 B9R1.1 COC1CCC(=O)CC1 7a_100000764474_200000210301 [1,0,0,1,0,0|1,0,0]=3 17880 B9R1.1 COC1CCC(=O)NC1 34a_100000079199_200000210301 [1,0,0,1,0,0|2,0,0]=4 17881 B9R1.1 [13CH3]NC1CCC(=O)NC1 2230a_100000748762_200025704644 [1,0,0,1,0,0|2,0,0]=4 17882 B9R1.1 [13CH3]NC1CCC(=O)NC1 34a_100000748762_200025704644 [1,0,0,1,0,0|2,0,0]=4 17883 B9R1.1 [13CH3]OC1CCC(=O)CC1 34a_100000764474_200025704644 [1,0,0,1,0,0|1,0,0]=3 17884 B9R1.1 [13CH3]OC1CCC(=O)CC1 7a_100000764474_200025704644 [1,0,0,1,0,0|1,0,0]=3 17885 B9R1.1 [13CH3]OC1CCC(=O)NC1 34a_100000079199_200025704644 [1,0,0,1,0,0|2,0,0]=4 17886 B9R1.2 CCN1CCC[C@@H](C1)C 2230a_100000717927_100000210202 [1,0,0,1,0,0|2,0,0]=4 17887 B9R1.2 CCN1CCC[C@@H](C1)C 269982a_100000717927_100000204670 [1,0,0,1,0,0|2,0,0]=4 17888 B9R1.2 CCN1CCC[C@@H](C1)C 34a_100000717927_100000210202 [1,0,0,1,0,0|2,0,0]=4 17889 B9R1.3 CC1C(=O)NCCN1C 2230a_100000750721_200000210301 [1,0,0,1,0,0|2,0,0]=4 17890 B9R1.3 CC1C(=O)NCCN1C 269982a_100000750721_200000210301 [1,0,0,1,0,0|2,0,0]=4 17891 B9R1.3 CC1C(=O)NCCN1C 34a_100000750721_200000210301 [1,0,0,1,0,0|2,0,0]=4 17892 B9R1.3 CC1C(=O)NCCN1[13CH3] 2230a_100000750721_200025704644 [1,0,0,1,0,0|2,0,0]=4 17893 B9R1.3 CC1C(=O)NCCN1[13CH3] 269982a_100000750721_200025704644 [1,0,0,1,0,0|2,0,0]=4 17894 B9R1.3 CC1C(=O)NCCN1[13CH3] 34a_100000750721_200025704644 [1,0,0,1,0,0|2,0,0]=4 17895 B9R1.7 CCCN1CNC(=O)C1 2230a_200000708111_100000210303 [1,0,0,1,0,0|2,0,0]=4 17896 B9R1.7 CCNC1CNC(=O)C1 2230a_100000697751_100000210202 [1,0,0,1,0,0|2,0,0]=4 17897 B9R1.7 CCOC1CCC(=O)C1 34a_100012614533_100000210202 [1,0,0,1,0,0|1,0,0]=3 17898 B9R1.7 CCOC1CNC(=O)C1 34a_100000690082_100000210202 [1,0,0,1,0,0|2,0,0]=4 17899 B9R1.7 CNCC1CNC(=O)C1 2230a_100016993742_200000210301 [1,0,0,1,0,0|2,0,0]=4 17900 B9R1.7 CNCC1CNC(=O)C1 34a_100016993742_200000210301 [1,0,0,1,0,0|2,0,0]=4 17901 B9R1.7 CNC[C@@H]1CCC(=O)N1 2230a_106832991635_100015189358 [1,0,0,1,0,0|2,0,0]=4 17902 B9R1.7 CNC[C@@H]1CCC(=O)N1 7a_106832991635_100015189358 [1,0,0,1,0,0|2,0,0]=4 17903 B9R1.7 CNC[C@H]1CCC(=O)N1 2230a_100015423886_200000210301 [1,0,0,1,0,0|2,0,0]=4 17904 B9R1.7 CNC[C@H]1CCC(=O)N1 34a_100015423886_200000210301 [1,0,0,1,0,0|2,0,0]=4 17905 B9R1.7 COCC1CCC(=O)N1 34a_100000737831_200000210301 [1,0,0,1,0,0|2,0,0]=4 17906 B9R1.7 COCC1CNC(=O)C1 34a_100016041077_200000210301 [1,0,0,1,0,0|2,0,0]=4 17907 B9R1.7 CSC[C@@H]1CCC(=O)N1 62a_100015189358_200000210301 [1,0,0,1,0,0|2,0,0]=4 17908 B9R1.7 CSC[C@@H]1CCC(=O)N1 62a_200000210301_100015189358 [1,0,0,1,0,0|2,0,0]=4 17909 B9R1.7 O=C1CCC(C1)OCF 34a_100012614533_100015361967 [1,0,0,1,0,0|2,0,0]=4 17910 B9R1.7 [13CH3]NCC1CNC(=O)C1 2230a_100016993742_200025704644 [1,0,0,1,0,0|2,0,0]=4 17911 B9R1.7 [13CH3]NCC1CNC(=O)C1 34a_100016993742_200025704644 [1,0,0,1,0,0|2,0,0]=4 17912 B9R1.7 [13CH3]NC[C@H]1CCC(=O)N1 2230a_100015423886_200025704644 [1,0,0,1,0,0|2,0,0]=4 17913 B9R1.7 [13CH3]NC[C@H]1CCC(=O)N1 34a_100015423886_200025704644 [1,0,0,1,0,0|2,0,0]=4 17914 B9R1.7 [13CH3]OCC1CCC(=O)N1 34a_100000737831_200025704644 [1,0,0,1,0,0|2,0,0]=4 17915 B9R1.7 [13CH3]OCC1CNC(=O)C1 34a_100016041077_200025704644 [1,0,0,1,0,0|2,0,0]=4 17916 B9R1.7 [13CH3]SC[C@@H]1CCC(=O)N1 62a_100015189358_200025704644 [1,0,0,1,0,0|2,0,0]=4 17917 B9R1.7 [13CH3]SC[C@@H]1CCC(=O)N1 62a_200025704644_100015189358 [1,0,0,1,0,0|2,0,0]=4 17918 B9R1.11 C#CC(=O)C1CCCC1 1458a_100000211873_100000179811 [1,0,0,1,0,0|0,0,2]=4 17919 B9R1.11 C=CC(=O)C1CCCC1 1458a_100000185746_100000179811 [1,0,0,1,0,0|0,0,2]=4 17920 B9R1.11 CCC(=O)C1=CCCC1 1458a_100000038896_100000210202 [1,0,0,1,0,0|0,0,2]=4 17921 B9R1.11 CCC(=O)C1CC=CC1 1458a_100000759439_100000210202 [1,0,0,1,0,0|0,0,2]=4 17922 B9R1.11 CCC(=O)C1CCCC1 1458a_100000210414_100000179811 [1,0,0,1,0,0|0,0,0]=2 17923 B9R1.11 CCC(=O)C1CCCC1 1458a_100000210718_100000210202 [1,0,0,1,0,0|0,0,0]=2 17924 B9R1.11 CCC(=O)C1CCCS1 1458a_100012002731_100000210202 [1,0,0,1,0,0|1,0,0]=3 17925 B9R1.11 CCC(=O)C1CCOC1 1458a_100000210414_100000690089 [1,0,0,1,0,0|1,0,0]=3 17926 B9R1.11 CCC(=O)C1CCOC1 1458a_100011219752_100000210202 [1,0,0,1,0,0|1,0,0]=3 17927 B9R1.11 CCC(=O)N1CCCC1 240690a_100000188435_100000210414 [1,0,0,1,0,0|1,0,0]=3 17928 B9R1.11 CCC(=O)N1CCCC1 527a_100000188435_100000210414 [1,0,0,1,0,0|1,0,0]=3 17929 B9R1.11 CCC(=O)N1CCSC1 11a_100011215254_100000210414 [1,0,0,1,0,0|2,0,0]=4 17930 B9R1.11 CCC(=O)N1CCSC1 240690a_100011215254_100000210414 [1,0,0,1,0,0|2,0,0]=4 17931 B9R1.11 CCC(=O)N1CCSC1 527a_100011215254_100000210414 [1,0,0,1,0,0|2,0,0]=4 17932 B9R1.11 CCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210202 [1,0,0,1,0,0|1,0,0]=3 17933 B9R1.11 CCN(C)C1CCCC1 2230a_100000207505_100000210202 [1,0,0,1,0,0|2,0,0]=4 17934 B9R1.11 CCN(C)C1CCCC1 2230a_100000225621_100000179811 [1,0,0,1,0,0|2,0,0]=4 17935 B9R1.11 CCN(C)C1CCCC1 269982a_100000207505_100000204670 [1,0,0,1,0,0|2,0,0]=4 17936 B9R1.11 CCN(C)C1CCCC1 269982a_100000225621_100000179811 [1,0,0,1,0,0|2,0,0]=4 17937 B9R1.11 CCN(C)C1CCCC1 34a_100000207505_100000210202 [1,0,0,1,0,0|2,0,0]=4 17938 B9R1.11 CNC(=O)C1CCCC1 11a_106832991635_100000210718 [1,0,0,1,0,0|1,0,0]=3 17939 B9R1.11 CNC(=O)C1CCCC1 1626a_100102657272_100000210718 [1,0,0,1,0,0|1,0,0]=3 17940 B9R1.11 CNC(=O)C1CCCC1 240690a_100102657272_100000210718 [1,0,0,1,0,0|1,0,0]=3 17941 B9R1.11 CNC(=O)C1CCCC1 527a_100102657272_100000210718 [1,0,0,1,0,0|1,0,0]=3 17942 B9R1.11 CNC(=O)C1CCCS1 11a_106832991635_100012002731 [1,0,0,1,0,0|2,0,0]=4 17943 B9R1.11 CNC(=O)C1CCCS1 1626a_100102657272_100012002731 [1,0,0,1,0,0|2,0,0]=4 17944 B9R1.11 CNC(=O)C1CCCS1 240690a_100102657272_100012002731 [1,0,0,1,0,0|2,0,0]=4 17945 B9R1.11 CNC(=O)C1CCCS1 527a_100102657272_100012002731 [1,0,0,1,0,0|2,0,0]=4 17946 B9R1.11 CNC(=O)C1CCOC1 11a_106832991635_100011219752 [1,0,0,1,0,0|2,0,0]=4 17947 B9R1.11 CNC(=O)C1CCOC1 1626a_100102657272_100011219752 [1,0,0,1,0,0|2,0,0]=4 17948 B9R1.11 CNC(=O)C1CCOC1 240690a_100102657272_100011219752 [1,0,0,1,0,0|2,0,0]=4 17949 B9R1.11 CNC(=O)C1CCOC1 527a_100102657272_100011219752 [1,0,0,1,0,0|2,0,0]=4 17950 B9R1.11 CNC(=O)N1CCCC1 2708a_100102657272_100000188435 [1,0,0,1,0,0|2,0,0]=4 17951 B9R1.11 CNC(=O)N1CCCC1 273464a_100102657272_100000188435 [1,0,0,1,0,0|2,0,0]=4 17952 B9R1.11 CNC(=O)[C@@H]1CCCO1 11a_106832991635_100000686382 [1,0,0,1,0,0|2,0,0]=4 17953 B9R1.11 CNC(=O)[C@@H]1CCCO1 1626a_100102657272_100000686382 [1,0,0,1,0,0|2,0,0]=4 17954 B9R1.11 CNC(=O)[C@@H]1CCCO1 240690a_100102657272_100000686382 [1,0,0,1,0,0|2,0,0]=4 17955 B9R1.11 CNC(=O)[C@@H]1CCCO1 527a_100102657272_100000686382 [1,0,0,1,0,0|2,0,0]=4 17956 B9R1.11 O=C(CF)C1CCCC1 1458a_100000210718_100015361967 [1,0,0,1,0,0|1,0,0]=3 17957 B9R1.11 O=C(CF)C1CCCS1 1458a_100012002731_100015361967 [1,0,0,1,0,0|2,0,0]=4 17958 B9R1.11 O=C(CF)C1CCOC1 1458a_100011219752_100015361967 [1,0,0,1,0,0|2,0,0]=4 17959 B9R1.11 O=C(CF)[C@@H]1CCCO1 1458a_100000686382_100015361967 [1,0,0,1,0,0|2,0,0]=4 17960 B9R1.11 O=C(CO)C1CCCC1 1458a_100000210174_100000179811 [1,0,0,1,0,0|1,0,0]=3 17961 B9R1.11 O=C(CO)C1CCOC1 1458a_100000210174_100000690089 [1,0,0,1,0,0|2,0,0]=4 17962 B9R1.11 O=C(CO)N1CCCC1 240690a_100000188435_100000210174 [1,0,0,1,0,0|2,0,0]=4 17963 B9R1.11 O=C(CO)N1CCCC1 527a_100000188435_100000210174 [1,0,0,1,0,0|2,0,0]=4 17964 B9R1.49 CC1CCCN(CC1)C 2230a_100025706717_200000210301 [1,0,0,1,0,0|2,0,0]=4 17965 B9R1.49 CC1CCCN(CC1)C 269982a_100025706717_200000210301 [1,0,0,1,0,0|2,0,0]=4 17966 B9R1.49 CC1CCCN(CC1)C 34a_100025706717_200000210301 [1,0,0,1,0,0|2,0,0]=4 17967 B9R1.49 CC1CCCN(CC1)[13CH3] 2230a_100025706717_200025704644 [1,0,0,1,0,0|2,0,0]=4 17968 B9R1.49 CC1CCCN(CC1)[13CH3] 269982a_100025706717_200025704644 [1,0,0,1,0,0|2,0,0]=4 17969 B9R1.49 CC1CCCN(CC1)[13CH3] 34a_100025706717_200025704644 [1,0,0,1,0,0|2,0,0]=4 17970 B9R1.49 CN1CCNC(=O)CC1 2230a_100000698595_200000210301 [1,0,0,1,0,0|2,0,0]=4 17971 B9R1.49 CN1CCNC(=O)CC1 269982a_100000698595_200000210301 [1,0,0,1,0,0|2,0,0]=4 17972 B9R1.49 [13CH3]N1CCNC(=O)CC1 2230a_100000698595_200025704644 [1,0,0,1,0,0|2,0,0]=4 17973 B9R1.49 [13CH3]N1CCNC(=O)CC1 269982a_100000698595_200025704644 [1,0,0,1,0,0|2,0,0]=4 17974 B9R1.78 CCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000210414 [1,0,0,1,0,0|2,0,0]=4 17975 B9R1.78 CCC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000210414 [1,0,0,1,0,0|2,0,0]=4 17976 B9R1.78 CCC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000210414 [1,0,0,1,0,0|2,0,0]=4 17977 B9R1.78 CCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000210414 [1,0,0,1,0,0|2,0,0]=4 17978 B9R1.78 CCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000210414 [1,0,0,1,0,0|2,0,0]=4 17979 B9R1.78 CCC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000210414 [1,0,0,1,0,0|2,0,0]=4 17980 B9R1.79 C#CC(=O)CC1CCC1 1458a_100000211873_100000763275 [1,0,0,1,0,0|0,0,2]=4 17981 B9R1.79 C=CC(=O)CC1CCC1 1458a_100000185746_100000763275 [1,0,0,1,0,0|0,0,2]=4 17982 B9R1.79 CCC(=O)C=C1CCC1 1458a_100000686340_100000210202 [1,0,0,1,0,0|0,0,2]=4 17983 B9R1.79 CCC(=O)CC1CCC1 1458a_100000210414_100000763275 [1,0,0,1,0,0|0,0,0]=2 17984 B9R1.79 CCC(=O)CC1CCC1 1458a_100000763092_100000210202 [1,0,0,1,0,0|0,0,0]=2 17985 B9R1.79 CCC(=O)CC1CCO1 1458a_100000210414_100000103362 [1,0,0,1,0,0|1,0,0]=3 17986 B9R1.79 CCC(=O)CC1COC1 1458a_100000210414_100010264016 [1,0,0,1,0,0|1,0,0]=3 17987 B9R1.79 CCC(=O)CC1COC1 1458a_100000687760_100000210202 [1,0,0,1,0,0|1,0,0]=3 17988 B9R1.79 CCC(=O)CN1CCC1 269982a_100000754969_100000747405 [1,0,0,1,0,0|1,0,0]=3 17989 B9R1.79 CCC(=O)NC1CCC1 11a_100000749019_100000210414 [1,0,0,1,0,0|1,0,0]=3 17990 B9R1.79 CCC(=O)NC1CCC1 1626a_100000749019_100000210414 [1,0,0,1,0,0|1,0,0]=3 17991 B9R1.79 CCC(=O)NC1CCC1 240690a_100000749019_100000210414 [1,0,0,1,0,0|1,0,0]=3 17992 B9R1.79 CCC(=O)NC1CCC1 527a_100000749019_100000210414 [1,0,0,1,0,0|1,0,0]=3 17993 B9R1.79 CCC(=O)NC1COC1 11a_100016991112_100000210414 [1,0,0,1,0,0|2,0,0]=4 17994 B9R1.79 CCC(=O)NC1COC1 1626a_100016991112_100000210414 [1,0,0,1,0,0|2,0,0]=4 17995 B9R1.79 CCC(=O)NC1COC1 240690a_100016991112_100000210414 [1,0,0,1,0,0|2,0,0]=4 17996 B9R1.79 CCC(=O)NC1COC1 527a_100016991112_100000210414 [1,0,0,1,0,0|2,0,0]=4 17997 B9R1.79 CCC(=O)NC1CSC1 11a_100016994217_100000210414 [1,0,0,1,0,0|2,0,0]=4 17998 B9R1.79 CCC(=O)NC1CSC1 1626a_100016994217_100000210414 [1,0,0,1,0,0|2,0,0]=4 17999 B9R1.79 CCC(=O)NC1CSC1 240690a_100016994217_100000210414 [1,0,0,1,0,0|2,0,0]=4 18000 B9R1.79 CCC(=O)NC1CSC1 527a_100016994217_100000210414 [1,0,0,1,0,0|2,0,0]=4 18001 B9R1.79 CCN(C)CC1CCC1 2230a_100000225621_100000763275 [1,0,0,1,0,0|2,0,0]=4 18002 B9R1.79 CCN(C)CC1CCC1 2230a_200000750244_100000210202 [1,0,0,1,0,0|2,0,0]=4 18003 B9R1.79 CCN(C)CC1CCC1 269982a_100000225621_100000763275 [1,0,0,1,0,0|2,0,0]=4 18004 B9R1.79 CCN(C)CC1CCC1 269982a_200000750244_100000204670 [1,0,0,1,0,0|2,0,0]=4 18005 B9R1.79 CCN(C)CC1CCC1 34a_200000750244_100000210202 [1,0,0,1,0,0|2,0,0]=4 18006 B9R1.79 CNC(=O)CC1CCC1 11a_106832991635_100000763092 [1,0,0,1,0,0|1,0,0]=3 18007 B9R1.79 CNC(=O)CC1CCC1 1626a_100102657272_100000763092 [1,0,0,1,0,0|1,0,0]=3 18008 B9R1.79 CNC(=O)CC1CCC1 240690a_100102657272_100000763092 [1,0,0,1,0,0|1,0,0]=3 18009 B9R1.79 CNC(=O)CC1CCC1 527a_100102657272_100000763092 [1,0,0,1,0,0|1,0,0]=3 18010 B9R1.79 CNC(=O)CC1COC1 11a_106832991635_100000687760 [1,0,0,1,0,0|2,0,0]=4 18011 B9R1.79 CNC(=O)CC1COC1 1626a_100102657272_100000687760 [1,0,0,1,0,0|2,0,0]=4 18012 B9R1.79 CNC(=O)CN1CCC1 269982a_100000754969_100000183359 [1,0,0,1,0,0|2,0,0]=4 18013 B9R1.79 CNC(=O)NC1CCC1 2708a_100102657272_100000749019 [1,0,0,1,0,0|2,0,0]=4 18014 B9R1.79 CNC(=O)NC1CCC1 273464a_100000749019_100102657272 [1,0,0,1,0,0|2,0,0]=4 18015 B9R1.79 CNC(=O)NC1CCC1 273464a_100102657272_100000749019 [1,0,0,1,0,0|2,0,0]=4 18016 B9R1.79 CNC(=O)NC1CCC1 512a_100000749019_100102657272 [1,0,0,1,0,0|2,0,0]=4 18017 B9R1.79 CNC(=O)NC1CCC1 512a_106832991638_100000749019 [1,0,0,1,0,0|2,0,0]=4 18018 B9R1.79 COC(=O)CN1CCC1 269982a_100000754969_100000747449 [1,0,0,1,0,0|2,0,0]=4 18019 B9R1.79 O=C(CF)CC1CCC1 1458a_100000763092_100015361967 [1,0,0,1,0,0|1,0,0]=3 18020 B9R1.79 O=C(CF)CC1COC1 1458a_100000687760_100015361967 [1,0,0,1,0,0|2,0,0]=4 18021 B9R1.79 O=C(CO)CC1CCC1 1458a_100000210174_100000763275 [1,0,0,1,0,0|1,0,0]=3 18022 B9R1.79 O=C(CO)CC1CCO1 1458a_100000210174_100000103362 [1,0,0,1,0,0|2,0,0]=4 18023 B9R1.79 O=C(CO)CC1COC1 1458a_100000210174_100010264016 [1,0,0,1,0,0|2,0,0]=4 18024 B9R1.79 O=C(CO)NC1CCC1 240690a_100000749019_100000210174 [1,0,0,1,0,0|2,0,0]=4 18025 B9R1.79 O=C(CO)NC1CCC1 527a_100000749019_100000210174 [1,0,0,1,0,0|2,0,0]=4 18026 B9R1.80 C#CC(=O)CCC1CC1 1458a_100000211873_100000694398 [1,0,0,1,0,0|0,0,2]=4 18027 B9R1.80 C=CC(=O)CCC1CC1 1458a_100000185746_100000694398 [1,0,0,1,0,0|0,0,2]=4 18028 B9R1.80 CCC(=O)C=CC1CC1 1458a_100102529529_100000210202 [1,0,0,1,0,0|0,0,2]=4 18029 B9R1.80 CCC(=O)CCC1CC1 1458a_100000210414_100000694398 [1,0,0,1,0,0|0,0,0]=2 18030 B9R1.80 CCC(=O)CCC1CC1 1458a_100000756386_100000210202 [1,0,0,1,0,0|0,0,0]=2 18031 B9R1.80 CCC(=O)CCC1CO1 1458a_100000210414_100000732470 [1,0,0,1,0,0|1,0,0]=3 18032 B9R1.80 CCC(=O)COC1CC1 34a_100000725409_100000211595 [1,0,0,1,0,0|1,0,0]=3 18033 B9R1.80 CCC(=O)CSC1CC1 62a_100000747405_100000211595 [1,0,0,1,0,0|1,0,0]=3 18034 B9R1.80 CCC(=O)NCC1CC1 11a_100000735609_100000210414 [1,0,0,1,0,0|1,0,0]=3 18035 B9R1.80 CCC(=O)NCC1CC1 1626a_100000735609_100000210414 [1,0,0,1,0,0|1,0,0]=3 18036 B9R1.80 CCC(=O)NCC1CC1 240690a_100000735609_100000210414 [1,0,0,1,0,0|1,0,0]=3 18037 B9R1.80 CCC(=O)NCC1CC1 527a_100000735609_100000210414 [1,0,0,1,0,0|1,0,0]=3 18038 B9R1.80 CCC(=O)NNC1CC1 22a_100000701032_100000210414 [1,0,0,1,0,0|2,0,0]=4 18039 B9R1.80 CCN(C)CCC1CC1 2230a_100000225621_100000694398 [1,0,0,1,0,0|2,0,0]=4 18040 B9R1.80 CCN(C)CCC1CC1 269982a_100000225621_100000694398 [1,0,0,1,0,0|2,0,0]=4 18041 B9R1.80 CNC(=O)CCC1CC1 11a_106832991635_100000756386 [1,0,0,1,0,0|1,0,0]=3 18042 B9R1.80 CNC(=O)CCC1CC1 1626a_100102657272_100000756386 [1,0,0,1,0,0|1,0,0]=3 18043 B9R1.80 CNC(=O)CCC1CC1 240690a_100102657272_100000756386 [1,0,0,1,0,0|1,0,0]=3 18044 B9R1.80 CNC(=O)CCC1CC1 527a_100102657272_100000756386 [1,0,0,1,0,0|1,0,0]=3 18045 B9R1.80 CNC(=O)CNC1CC1 34a_100000212008_100000183359 [1,0,0,1,0,0|2,0,0]=4 18046 B9R1.80 CNC(=O)COC1CC1 34a_100000750040_100000211595 [1,0,0,1,0,0|2,0,0]=4 18047 B9R1.80 CNC(=O)CSC1CC1 62a_100000183359_100000211595 [1,0,0,1,0,0|2,0,0]=4 18048 B9R1.80 CNC(=O)NCC1CC1 2708a_100000735609_106832991635 [1,0,0,1,0,0|2,0,0]=4 18049 B9R1.80 CNC(=O)NCC1CC1 2708a_100102657272_100000735609 [1,0,0,1,0,0|2,0,0]=4 18050 B9R1.80 CNC(=O)NCC1CC1 273464a_100000735609_100102657272 [1,0,0,1,0,0|2,0,0]=4 18051 B9R1.80 CNC(=O)NCC1CC1 273464a_100102657272_100000735609 [1,0,0,1,0,0|2,0,0]=4 18052 B9R1.80 CNC(=O)NCC1CC1 512a_100000735609_100102657272 [1,0,0,1,0,0|2,0,0]=4 18053 B9R1.80 CNC(=O)NCC1CC1 512a_106832991638_100000735609 [1,0,0,1,0,0|2,0,0]=4 18054 B9R1.80 COC(=O)CNC1CC1 34a_100000212008_100000747449 [1,0,0,1,0,0|2,0,0]=4 18055 B9R1.80 COC(=O)CSC1CC1 62a_100000747449_100000211595 [1,0,0,1,0,0|2,0,0]=4 18056 B9R1.80 O=C(CF)CCC1CC1 1458a_100000756386_100015361967 [1,0,0,1,0,0|1,0,0]=3 18057 B9R1.80 O=C(CO)CCC1CC1 1458a_100000210174_100000694398 [1,0,0,1,0,0|1,0,0]=3 18058 B9R1.80 O=C(CO)CCC1CO1 1458a_100000210174_100000732470 [1,0,0,1,0,0|2,0,0]=4 18059 B9R1.80 O=C(CO)NCC1CC1 240690a_100000735609_100000210174 [1,0,0,1,0,0|2,0,0]=4 18060 B9R1.80 O=C(CO)NCC1CC1 527a_100000735609_100000210174 [1,0,0,1,0,0|2,0,0]=4 18061 B9R1.81 CC1CCN1C(=O)CO 240690a_100000755817_100000210174 [1,0,0,1,0,0|2,0,0]=4 18062 B9R1.81 CC1CCN1C(=O)CO 527a_100000755817_100000210174 [1,0,0,1,0,0|2,0,0]=4 18063 B9R1.81 CCC(=O)C1CCC1=O 1458a_100000210414_100009892977 [1,0,0,1,0,0|1,0,1]=4 18064 B9R1.81 CCC(=O)N1CCC1C 11a_100000755817_100000210414 [1,0,0,1,0,0|1,0,0]=3 18065 B9R1.81 CCC(=O)N1CCC1C 240690a_100000755817_100000210414 [1,0,0,1,0,0|1,0,0]=3 18066 B9R1.81 CCC(=O)N1CCC1C 527a_100000755817_100000210414 [1,0,0,1,0,0|1,0,0]=3 18067 B9R1.81 CNC(=O)N1CCC1C 2708a_100102657272_100000755817 [1,0,0,1,0,0|2,0,0]=4 18068 B9R1.81 CNC(=O)N1CCC1C 273464a_100102657272_100000755817 [1,0,0,1,0,0|2,0,0]=4 18069 B9R1.81 COC(=O)[C@@H]1CCN1C 2230a_102516456887_200000210301 [1,0,0,1,0,0|2,0,0]=4 18070 B9R1.81 COC(=O)[C@@H]1CCN1C 269982a_102516456887_200000210301 [1,0,0,1,0,0|2,0,0]=4 18071 B9R1.81 COC(=O)[C@@H]1CCN1[13CH3] 2230a_102516456887_200025704644 [1,0,0,1,0,0|2,0,0]=4 18072 B9R1.81 COC(=O)[C@@H]1CCN1[13CH3] 269982a_102516456887_200025704644 [1,0,0,1,0,0|2,0,0]=4 18073 B9R1.88 CCC(=O)C1CC1CC 1458a_200011661523_100000210202 [1,0,0,1,0,0|0,0,0]=2 18074 B9R1.88 CCC(=O)[C@@H]1C[C@H]1C#N 1458a_100015294237_100000210202 [1,0,0,1,0,0|1,0,1]=4 18075 B9R1.88 CCC1CC1C(=O)CF 1458a_200011661523_100015361967 [1,0,0,1,0,0|1,0,0]=3 18076 B9R1.88 CCC1CC1C(=O)NC 11a_106832991635_200011661523 [1,0,0,1,0,0|1,0,0]=3 18077 B9R1.88 CCC1CC1C(=O)NC 1626a_100102657272_200011661523 [1,0,0,1,0,0|1,0,0]=3 18078 B9R1.88 CCC1CC1C(=O)NC 240690a_100102657272_200011661523 [1,0,0,1,0,0|1,0,0]=3 18079 B9R1.88 CCC1CC1C(=O)NC 527a_100102657272_200011661523 [1,0,0,1,0,0|1,0,0]=3 18080 B9R1.88 CCN1CC1C(=O)OC 2230a_200009830135_100000210202 [1,0,0,1,0,0|2,0,0]=4 18081 B9R1.6 CC(=O)C1=CCCCC1 1458a_100000765259_200000210301 [1,0,0,1,0,0|0,0,2]=4 18082 B9R1.6 CC(=O)C1C=CCCC1 1458a_100000070787_100000751183 [1,0,0,1,0,0|0,0,2]=4 18083 B9R1.6 CC(=O)C1CCCCC1 1458a_100000070787_100000210327 [1,0,0,1,0,0|0,0,0]=2 18084 B9R1.6 CC(=O)C1CCCCC1 1458a_100000210647_200000210301 [1,0,0,1,0,0|0,0,0]=2 18085 B9R1.6 CC(=O)C1CCCCO1 1458a_100000748299_200000210301 [1,0,0,1,0,0|1,0,0]=3 18086 B9R1.6 CC(=O)C1CCCOC1 1458a_100000070787_100000693364 [1,0,0,1,0,0|1,0,0]=3 18087 B9R1.6 CC(=O)C1CCCOC1 1458a_100000741522_200000210301 [1,0,0,1,0,0|1,0,0]=3 18088 B9R1.6 CC(=O)C1CCOCC1 1458a_100000070787_100011324220 [1,0,0,1,0,0|1,0,0]=3 18089 B9R1.6 CC(=O)C1CCOCC1 1458a_100000195482_200000210301 [1,0,0,1,0,0|1,0,0]=3 18090 B9R1.6 CC(=O)C1CCSCC1 1458a_100000755232_200000210301 [1,0,0,1,0,0|1,0,0]=3 18091 B9R1.6 CC(=O)C1COCCO1 1458a_100000045528_200000210301 [1,0,0,1,0,0|2,0,0]=4 18092 B9R1.6 CC(=O)C1SCCCS1 1458a_100000028545_200000210301 [1,0,0,1,0,0|2,0,0]=4 18093 B9R1.6 CC(=O)N1CCCOC1 11a_100000131196_100015343762 [1,0,0,1,0,0|2,0,0]=4 18094 B9R1.6 CC(=O)N1CCCOC1 240690a_100000131196_100015343762 [1,0,0,1,0,0|2,0,0]=4 18095 B9R1.6 CC(=O)N1CCOCC1 11a_100015191051_100015343762 [1,0,0,1,0,0|2,0,0]=4 18096 B9R1.6 CC(=O)N1CCOCC1 1626a_100015191051_100015343762 [1,0,0,1,0,0|2,0,0]=4 18097 B9R1.6 CC(=O)N1CCOCC1 240690a_100015191051_100015343762 [1,0,0,1,0,0|2,0,0]=4 18098 B9R1.6 CC(=O)N1CCOCC1 527a_100015191051_100103153847 [1,0,0,1,0,0|2,0,0]=4 18099 B9R1.6 CC(=O)N1CCSCC1 11a_100000737611_100015343762 [1,0,0,1,0,0|2,0,0]=4 18100 B9R1.6 CC(=O)N1CCSCC1 240690a_100000737611_100015343762 [1,0,0,1,0,0|2,0,0]=4 18101 B9R1.6 CC(=O)N1CCSCC1 527a_100000737611_100103153847 [1,0,0,1,0,0|2,0,0]=4 18102 B9R1.6 CC(=O)[C@H]1CC=CCC1 1458a_100009820709_200000210301 [1,0,0,1,0,0|0,0,2]=4 18103 B9R1.6 CN(C)C1CCCCC1 2230a_100000207522_200000210301 [1,0,0,1,0,0|2,0,0]=4 18104 B9R1.6 CN(C)C1CCCCC1 269982a_100000207522_200000210301 [1,0,0,1,0,0|2,0,0]=4 18105 B9R1.6 CN(C)C1CCCCC1 269982a_100102631434_100000210327 [1,0,0,1,0,0|2,0,0]=4 18106 B9R1.6 CN(C)C1CCCCC1 270004a_100102631434_100000210434 [1,0,0,1,0,0|2,0,0]=4 18107 B9R1.6 CN(C)C1CCCCC1 34a_100000207522_200000210301 [1,0,0,1,0,0|2,0,0]=4 18108 B9R1.6 CN([13CH3])C1CCCCC1 2230a_100000207522_200025704644 [1,0,0,1,0,0|2,0,0]=4 18109 B9R1.6 CN([13CH3])C1CCCCC1 269982a_100000207522_200025704644 [1,0,0,1,0,0|2,0,0]=4 18110 B9R1.6 CN([13CH3])C1CCCCC1 34a_100000207522_200025704644 [1,0,0,1,0,0|2,0,0]=4 18111 B9R1.6 [13CH3]C(=O)C1=CCCCC1 1458a_100000765259_200025704644 [1,0,0,1,0,0|0,0,2]=4 18112 B9R1.6 [13CH3]C(=O)C1CCCCC1 1458a_100000210647_200025704644 [1,0,0,1,0,0|0,0,0]=2 18113 B9R1.6 [13CH3]C(=O)C1CCCCO1 1458a_100000748299_200025704644 [1,0,0,1,0,0|1,0,0]=3 18114 B9R1.6 [13CH3]C(=O)C1CCCOC1 1458a_100000741522_200025704644 [1,0,0,1,0,0|1,0,0]=3 18115 B9R1.6 [13CH3]C(=O)C1CCOCC1 1458a_100000195482_200025704644 [1,0,0,1,0,0|1,0,0]=3 18116 B9R1.6 [13CH3]C(=O)C1CCSCC1 1458a_100000755232_200025704644 [1,0,0,1,0,0|1,0,0]=3 18117 B9R1.6 [13CH3]C(=O)C1COCCO1 1458a_100000045528_200025704644 [1,0,0,1,0,0|2,0,0]=4 18118 B9R1.6 [13CH3]C(=O)C1SCCCS1 1458a_100000028545_200025704644 [1,0,0,1,0,0|2,0,0]=4 18119 B9R1.6 [13CH3]C(=O)[C@H]1CC=CCC1 1458a_100009820709_200025704644 [1,0,0,1,0,0|0,0,2]=4 18120 B9R1.9 C=C1CC(C1)CNCC 2230a_100102567296_100000210202 [1,0,0,1,0,0|2,0,0]=4 18121 B9R1.9 C=C1CC(C1)CNCC 34a_100102567296_100000210202 [1,0,0,1,0,0|2,0,0]=4 18122 B9R1.9 C=C1CC(C1)COCC 34a_100011011225_100000210202 [1,0,0,1,0,0|2,0,0]=4 18123 B9R1.9 C=C1CC(C1)NCCC 2230a_100132301982_100000210303 [1,0,0,1,0,0|2,0,0]=4 18124 B9R1.9 CCCSC1CC(=O)C1 62a_100009894365_100000210303 [1,0,0,1,0,0|1,0,0]=3 18125 B9R1.9 CCNCC1CC(=O)C1 2230a_100015525214_100009874392 [1,0,0,1,0,0|1,0,0]=3 18126 B9R1.9 CCOCC1CC(=O)C1 34a_100000101936_100000210202 [1,0,0,1,0,0|1,0,0]=3 18127 B9R1.9 CCSCC1CC(=O)C1 62a_100000210202_100009874392 [1,0,0,1,0,0|1,0,0]=3 18128 B9R1.9 CCSCC1CC(=O)C1 62a_100009874392_100000210202 [1,0,0,1,0,0|1,0,0]=3 18129 B9R1.9 COCSC1CC(=O)C1 62a_100009894365_100000766300 [1,0,0,1,0,0|2,0,0]=4 18130 B9R1.9 CSCSC1CC(=O)C1 62a_100009894365_100011218213 [1,0,0,1,0,0|2,0,0]=4 18131 B9R1.9 O=C1CC(C1)COCF 34a_100000101936_100015361967 [1,0,0,1,0,0|2,0,0]=4 18132 B9R1.9 O=C1CC(C1)CSCF 62a_100009874392_100015361967 [1,0,0,1,0,0|2,0,0]=4 18133 B9R1.9 O=C1CC(C1)CSCF 62a_100015361967_100009874392 [1,0,0,1,0,0|2,0,0]=4 18134 B9R1.9 O=C1CC(C1)SCCF 62a_100009894365_100011217306 [1,0,0,1,0,0|2,0,0]=4 18135 B9R1.9 O=C1CC(C1)SCCO 62a_100009894365_100000211926 [1,0,0,1,0,0|2,0,0]=4 18136 B9R1.13 C=C(C)CN1CCCC1 2230a_100000188435_100000748629 [1,0,0,1,0,0|2,0,0]=4 18137 B9R1.13 C=C(C)CN1CCCC1 269982a_100000188435_100000748629 [1,0,0,1,0,0|2,0,0]=4 18138 B9R1.13 CC(=O)C=C1CCCC1 1458a_100000743260_200000210301 [1,0,0,1,0,0|0,0,2]=4 18139 B9R1.13 CC(=O)CC1=CCCC1 1458a_100000050221_200000210301 [1,0,0,1,0,0|0,0,2]=4 18140 B9R1.13 CC(=O)CC1C=CCC1 1458a_100000212241_200000210301 [1,0,0,1,0,0|0,0,2]=4 18141 B9R1.13 CC(=O)CC1CC=CC1 1458a_200000137526_200000210301 [1,0,0,1,0,0|0,0,2]=4 18142 B9R1.13 CC(=O)CC1CCCC1 1458a_100000070787_100000740388 [1,0,0,1,0,0|0,0,0]=2 18143 B9R1.13 CC(=O)CC1CCCC1 1458a_100000210891_200000210301 [1,0,0,1,0,0|0,0,0]=2 18144 B9R1.13 CC(=O)CC1CCCO1 1458a_100000070787_100000203698 [1,0,0,1,0,0|1,0,0]=3 18145 B9R1.13 CC(=O)CC1CCOC1 1458a_100000070787_100000702531 [1,0,0,1,0,0|1,0,0]=3 18146 B9R1.13 CC(=O)CC1CCOC1 1458a_100011218419_200000210301 [1,0,0,1,0,0|1,0,0]=3 18147 B9R1.13 CC(=O)CC1OCCO1 1458a_100000070787_100000755774 [1,0,0,1,0,0|2,0,0]=4 18148 B9R1.13 CC(=O)CN1CCCC1 1458a_100000740243_200000210301 [1,0,0,1,0,0|1,0,0]=3 18149 B9R1.13 CC(=O)NC1CCCC1 11a_100000211070_100015343762 [1,0,0,1,0,0|1,0,0]=3 18150 B9R1.13 CC(=O)NC1CCCC1 1626a_100000211070_100015343762 [1,0,0,1,0,0|1,0,0]=3 18151 B9R1.13 CC(=O)NC1CCCC1 240690a_100000211070_100015343762 [1,0,0,1,0,0|1,0,0]=3 18152 B9R1.13 CC(=O)NC1CCCC1 527a_100000211070_100103153847 [1,0,0,1,0,0|1,0,0]=3 18153 B9R1.13 CC(=O)N[C@@H]1CCOC1 240690a_200015188469_100015343762 [1,0,0,1,0,0|2,0,0]=4 18154 B9R1.13 CC(=O)N[C@@H]1CCOC1 527a_200015188469_100103153847 [1,0,0,1,0,0|2,0,0]=4 18155 B9R1.13 CC(=O)N[C@H]1CCOC1 11a_100015188467_100015343762 [1,0,0,1,0,0|2,0,0]=4 18156 B9R1.13 CC(=O)N[C@H]1CCOC1 1626a_100015188467_100015343762 [1,0,0,1,0,0|2,0,0]=4 18157 B9R1.13 CC(=O)N[C@H]1CCOC1 240690a_100015188467_100015343762 [1,0,0,1,0,0|2,0,0]=4 18158 B9R1.13 CC(=O)N[C@H]1CCOC1 527a_100015188467_100103153847 [1,0,0,1,0,0|2,0,0]=4 18159 B9R1.13 CN(C)CC1CCCC1 2230a_100102631434_100000740388 [1,0,0,1,0,0|2,0,0]=4 18160 B9R1.13 CN(C)CC1CCCC1 269982a_100102631434_100000740388 [1,0,0,1,0,0|2,0,0]=4 18161 B9R1.13 NC(=O)CN1CCCC1 2230a_100000188435_100000747473 [1,0,0,1,0,0|2,0,0]=4 18162 B9R1.13 NC(=O)CN1CCCC1 269982a_100000188435_100000187820 [1,0,0,1,0,0|2,0,0]=4 18163 B9R1.13 O=C([O-])CN1CCCC1 269982a_100000188435_100020667443 [1,0,0,1,0,0|2,0,0]=4 18164 B9R1.13 [13CH3]C(=O)C=C1CCCC1 1458a_100000743260_200025704644 [1,0,0,1,0,0|0,0,2]=4 18165 B9R1.13 [13CH3]C(=O)CC1=CCCC1 1458a_100000050221_200025704644 [1,0,0,1,0,0|0,0,2]=4 18166 B9R1.13 [13CH3]C(=O)CC1C=CCC1 1458a_100000212241_200025704644 [1,0,0,1,0,0|0,0,2]=4 18167 B9R1.13 [13CH3]C(=O)CC1CC=CC1 1458a_200000137526_200025704644 [1,0,0,1,0,0|0,0,2]=4 18168 B9R1.13 [13CH3]C(=O)CC1CCCC1 1458a_100000210891_200025704644 [1,0,0,1,0,0|0,0,0]=2 18169 B9R1.13 [13CH3]C(=O)CC1CCOC1 1458a_100011218419_200025704644 [1,0,0,1,0,0|1,0,0]=3 18170 B9R1.13 [13CH3]C(=O)CN1CCCC1 1458a_100000740243_200025704644 [1,0,0,1,0,0|1,0,0]=3 18171 B9R1.41 CC(=O)C1CCCC1=O 1458a_100000070787_100000211823 [1,0,0,1,0,0|1,0,1]=4 18172 B9R1.41 CC(=O)C1CCCC1C 1458a_100000690547_200000210301 [1,0,0,1,0,0|0,0,0]=2 18173 B9R1.41 CC(=O)N1CCC[C@@H]1C 240690a_100020605311_100015343762 [1,0,0,1,0,0|1,0,0]=3 18174 B9R1.41 CC(=O)N1CCC[C@@H]1C 527a_100020605311_100103153847 [1,0,0,1,0,0|1,0,0]=3 18175 B9R1.41 CC(=O)N1CCC[C@H]1C 11a_100015189458_100015343762 [1,0,0,1,0,0|1,0,0]=3 18176 B9R1.41 CC(=O)N1CCC[C@H]1C 240690a_100015189458_100015343762 [1,0,0,1,0,0|1,0,0]=3 18177 B9R1.41 CC(=O)N1CCC[C@H]1C 527a_100015189458_100103153847 [1,0,0,1,0,0|1,0,0]=3 18178 B9R1.41 CC(=O)N1CCSC1C 11a_200011216479_100015343762 [1,0,0,1,0,0|2,0,0]=4 18179 B9R1.41 CC(=O)N1CCSC1C 1626a_200011216479_100015343762 [1,0,0,1,0,0|2,0,0]=4 18180 B9R1.41 CC(=O)N1CCSC1C 240690a_200011216479_100015343762 [1,0,0,1,0,0|2,0,0]=4 18181 B9R1.41 CC(=O)N1CCSC1C 527a_200011216479_100103153847 [1,0,0,1,0,0|2,0,0]=4 18182 B9R1.41 CC(=O)[C@@H]1CCCN1C 1458a_100009816429_200000210301 [1,0,0,1,0,0|1,0,0]=3 18183 B9R1.41 CC1CCCC1C(=O)[13CH3] 1458a_100000690547_200025704644 [1,0,0,1,0,0|0,0,0]=2 18184 B9R1.41 CN1CCC[C@H]1C(=O)N 2230a_100000003125_200000210301 [1,0,0,1,0,0|2,0,0]=4 18185 B9R1.41 CN1CCC[C@H]1C(=O)O 269956a_100000743916_200000210301 [1,0,0,1,0,0|2,0,0]=4 18186 B9R1.41 CN1CCC[C@H]1C(=O)[13CH3] 1458a_100009816429_200025704644 [1,0,0,1,0,0|1,0,0]=3 18187 B9R1.41 [13CH3]N1CCC[C@H]1C(=O)N 2230a_100000003125_200025704644 [1,0,0,1,0,0|2,0,0]=4 18188 B9R1.41 [13CH3]N1CCC[C@H]1C(=O)O 269956a_100000743916_200025704644 [1,0,0,1,0,0|2,0,0]=4 18189 B9R1.48 CN1CCCNC(=O)C1 2230a_100015190381_200000210301 [1,0,0,1,0,0|2,0,0]=4 18190 B9R1.48 [13CH3]N1CCCNC(=O)C1 2230a_100015190381_200025704644 [1,0,0,1,0,0|2,0,0]=4 18191 B9R1.67 C=C(C)CN1CCC1C 269982a_100000755817_100000748629 [1,0,0,1,0,0|2,0,0]=4 18192 B9R1.67 C=C(C)CN1CCC1C 34a_100000755817_100000748629 [1,0,0,1,0,0|2,0,0]=4 18193 B9R1.67 CC1CCN1CC(=O)N 269982a_100000755817_100000187820 [1,0,0,1,0,0|2,0,0]=4 18194 B9R1.67 CC1CCN1CC(=O)N 34a_100000755817_100000187820 [1,0,0,1,0,0|2,0,0]=4 18195 B9R1.67 CC1CCN1CC(=O)[O-] 269982a_100000755817_100020667443 [1,0,0,1,0,0|2,0,0]=4 18196 B9R1.67 CC1CCN1CC(=O)[O-] 34a_100000755817_100020667443 [1,0,0,1,0,0|2,0,0]=4 18197 B9R1.84 C=C(C)CCN1CCC1 269982a_100000754969_100000730704 [1,0,0,1,0,0|2,0,0]=4 18198 B9R1.84 C=C(C)CNC1CCC1 2230a_100000749019_100000748629 [1,0,0,1,0,0|2,0,0]=4 18199 B9R1.84 C=C(C)CNC1CCC1 34a_100000749019_100000748629 [1,0,0,1,0,0|2,0,0]=4 18200 B9R1.84 C=C(C)COC1CCC1 34a_100000210245_100000749161 [1,0,0,1,0,0|2,0,0]=4 18201 B9R1.84 C=C(C)COC1CCC1 34a_100000748187_100000748629 [1,0,0,1,0,0|2,0,0]=4 18202 B9R1.84 C=C(C)CSC1CCC1 62a_100000748629_100000749161 [1,0,0,1,0,0|2,0,0]=4 18203 B9R1.84 CC(=O)CCN1CCC1 269982a_100000754969_100000053229 [1,0,0,1,0,0|1,0,0]=3 18204 B9R1.84 CC(=O)COC1CCC1 34a_100000211253_100000749161 [1,0,0,1,0,0|1,0,0]=3 18205 B9R1.84 CC(=O)COC1COC1 34a_100000211253_100009818527 [1,0,0,1,0,0|2,0,0]=4 18206 B9R1.84 CC(=O)NCC1CCC1 11a_100000738700_100015343762 [1,0,0,1,0,0|1,0,0]=3 18207 B9R1.84 CC(=O)NCC1CCC1 1626a_100000738700_100015343762 [1,0,0,1,0,0|1,0,0]=3 18208 B9R1.84 CC(=O)NCC1CCC1 240690a_100000738700_100015343762 [1,0,0,1,0,0|1,0,0]=3 18209 B9R1.84 CC(=O)NCC1CCC1 527a_100000738700_100103153847 [1,0,0,1,0,0|1,0,0]=3 18210 B9R1.84 CC(=O)NCC1COC1 11a_100015281925_100015343762 [1,0,0,1,0,0|2,0,0]=4 18211 B9R1.84 CC(=O)NCC1COC1 1626a_100015281925_100015343762 [1,0,0,1,0,0|2,0,0]=4 18212 B9R1.84 CC(=O)NCC1COC1 240690a_100015281925_100015343762 [1,0,0,1,0,0|2,0,0]=4 18213 B9R1.84 CC(=O)NCC1COC1 527a_100015281925_100103153847 [1,0,0,1,0,0|2,0,0]=4 18214 B9R1.84 CC(=O)NC[C@@H]1CCO1 11a_100020831831_100015343762 [1,0,0,1,0,0|2,0,0]=4 18215 B9R1.84 CC(=O)NC[C@@H]1CCO1 1626a_100020831831_100015343762 [1,0,0,1,0,0|2,0,0]=4 18216 B9R1.84 CC(=O)NC[C@@H]1CCO1 240690a_100020831831_100015343762 [1,0,0,1,0,0|2,0,0]=4 18217 B9R1.84 CC(=O)NC[C@@H]1CCO1 527a_100020831831_100103153847 [1,0,0,1,0,0|2,0,0]=4 18218 B9R1.84 CC(=O)NNC1CCC1 22a_100000736358_100000070787 [1,0,0,1,0,0|2,0,0]=4 18219 B9R1.84 CC(=O)OCN1CCC1 269982a_100000754969_100000076356 [1,0,0,1,0,0|2,0,0]=4 18220 B9R1.84 NC(=O)CCN1CCC1 269982a_100000754969_100000744528 [1,0,0,1,0,0|2,0,0]=4 18221 B9R1.84 NC(=O)CNC1CCC1 2230a_100000749019_100000747473 [1,0,0,1,0,0|2,0,0]=4 18222 B9R1.84 NC(=O)CNC1CCC1 34a_100000749019_100000187820 [1,0,0,1,0,0|2,0,0]=4 18223 B9R1.84 NC(=O)COC1CCC1 34a_100000748187_100000187820 [1,0,0,1,0,0|2,0,0]=4 18224 B9R1.84 NC(=O)CSC1CCC1 62a_100000747473_100000749161 [1,0,0,1,0,0|2,0,0]=4 18225 B9R1.84 O=C(O)CNC1CCC1 269956a_100016091260_100000749161 [1,0,0,1,0,0|2,0,0]=4 18226 B9R1.84 O=C([O-])CNC1CCC1 34a_100000749019_100020667443 [1,0,0,1,0,0|2,0,0]=4 18227 B9R1.84 O=C([O-])COC1CCC1 34a_100000748187_100020667443 [1,0,0,1,0,0|2,0,0]=4 18228 B9R1.84 O=C([O-])CSC1CCC1 62a_100020667443_100000749161 [1,0,0,1,0,0|2,0,0]=4 18229 B9R1.85 C=C(C)CCNC1CC1 34a_100000212008_100000730704 [1,0,0,1,0,0|2,0,0]=4 18230 B9R1.85 C=C(C)CCOC1CC1 34a_100000764851_100000211595 [1,0,0,1,0,0|2,0,0]=4 18231 B9R1.85 C=C(C)CCSC1CC1 62a_100000730704_100000211595 [1,0,0,1,0,0|2,0,0]=4 18232 B9R1.85 C=C(C)CNCC1CC1 2230a_100000735609_100000748629 [1,0,0,1,0,0|2,0,0]=4 18233 B9R1.85 C=C(C)CNCC1CC1 34a_100000735609_100000748629 [1,0,0,1,0,0|2,0,0]=4 18234 B9R1.85 C=C(C)COCC1CC1 34a_100000210245_100000742324 [1,0,0,1,0,0|2,0,0]=4 18235 B9R1.85 C=C(C)COCC1CC1 34a_100000211283_100000748629 [1,0,0,1,0,0|2,0,0]=4 18236 B9R1.85 C=C(C)CSCC1CC1 62a_100000748629_100000742324 [1,0,0,1,0,0|2,0,0]=4 18237 B9R1.85 C=C(C)CSCC1CC1 62a_100000756562_100000211660 [1,0,0,1,0,0|2,0,0]=4 18238 B9R1.85 CC(=O)CC#CC1CC1 1458a_100000070787_100009895102 [1,0,0,1,0,0|0,0,2]=4 18239 B9R1.85 CC(=O)CCCC1CO1 1458a_100000070787_100000733510 [1,0,0,1,0,0|1,0,0]=3 18240 B9R1.85 CC(=O)CCOC1CC1 34a_100000759926_100000211595 [1,0,0,1,0,0|1,0,0]=3 18241 B9R1.85 CC(=O)CCSC1CC1 62a_100000053229_100000211595 [1,0,0,1,0,0|1,0,0]=3 18242 B9R1.85 CC(=O)COCC1CC1 34a_100000211253_100000742324 [1,0,0,1,0,0|1,0,0]=3 18243 B9R1.85 CC(=O)COCC1CO1 34a_100000211253_102125554688 [1,0,0,1,0,0|2,0,0]=4 18244 B9R1.85 CC(=O)CSCC1CC1 1458a_200011316215_200000210301 [1,0,0,1,0,0|1,0,0]=3 18245 B9R1.85 CC(=O)NCCC1CC1 1626a_100000764129_100015343762 [1,0,0,1,0,0|1,0,0]=3 18246 B9R1.85 CC(=O)NCCC1CC1 240690a_100000764129_100015343762 [1,0,0,1,0,0|1,0,0]=3 18247 B9R1.85 CC(=O)NCCC1CC1 527a_100000764129_100103153847 [1,0,0,1,0,0|1,0,0]=3 18248 B9R1.85 CC(=O)NNCC1CC1 22a_100000736359_100000070787 [1,0,0,1,0,0|2,0,0]=4 18249 B9R1.85 CC(=O)OCNC1CC1 34a_100000212008_100009813279 [1,0,0,1,0,0|2,0,0]=4 18250 B9R1.85 CC(=O)OCSC1CC1 62a_100000076356_100000211595 [1,0,0,1,0,0|2,0,0]=4 18251 B9R1.85 NC(=O)CCNC1CC1 34a_100000212008_100000731001 [1,0,0,1,0,0|2,0,0]=4 18252 B9R1.85 NC(=O)CCOC1CC1 34a_100000757172_100000211595 [1,0,0,1,0,0|2,0,0]=4 18253 B9R1.85 NC(=O)CCSC1CC1 62a_100000744528_100000211595 [1,0,0,1,0,0|2,0,0]=4 18254 B9R1.85 NC(=O)CNCC1CC1 2230a_100000711301_100000742324 [1,0,0,1,0,0|2,0,0]=4 18255 B9R1.85 NC(=O)CNCC1CC1 2230a_100000735609_100000747473 [1,0,0,1,0,0|2,0,0]=4 18256 B9R1.85 NC(=O)CNCC1CC1 34a_100000735609_100000187820 [1,0,0,1,0,0|2,0,0]=4 18257 B9R1.85 NC(=O)COCC1CC1 34a_100000211283_100000187820 [1,0,0,1,0,0|2,0,0]=4 18258 B9R1.85 NC(=O)CSCC1CC1 62a_100000747473_100000742324 [1,0,0,1,0,0|2,0,0]=4 18259 B9R1.85 NC(=O)CSCC1CC1 62a_100000756562_100000747473 [1,0,0,1,0,0|2,0,0]=4 18260 B9R1.85 O=C(O)CNCC1CC1 269956a_100016091260_100000742324 [1,0,0,1,0,0|2,0,0]=4 18261 B9R1.85 O=C([O-])CNCC1CC1 34a_100000735609_100020667443 [1,0,0,1,0,0|2,0,0]=4 18262 B9R1.85 O=C([O-])COCC1CC1 34a_100000211283_100020667443 [1,0,0,1,0,0|2,0,0]=4 18263 B9R1.85 O=C([O-])CSCC1CC1 62a_100000756562_100020667443 [1,0,0,1,0,0|2,0,0]=4 18264 B9R1.85 O=C([O-])CSCC1CC1 62a_100020667443_100000742324 [1,0,0,1,0,0|2,0,0]=4 18265 B9R1.85 [13CH3]C(=O)CSCC1CC1 1458a_200011316215_200025704644 [1,0,0,1,0,0|1,0,0]=3 18266 B9R1.96 CCN1CCC1C(=O)O 269956a_100000021838_100000210202 [1,0,0,1,0,0|2,0,0]=4 18267 B11R1.4 CCCCCCN1CCCC1 2230a_100000188435_100000210314 [0,1,0,1,0,0|2,0,0]=4 18268 B11R1.4 CCCCCCN1CCCC1 269982a_100000188435_100000210757 [0,1,0,1,0,0|2,0,0]=4 18269 B11R1.4 CCCCCCN1CCSC1 2230a_100011215254_100000210314 [0,1,0,1,0,0|1,1,0]=4 18270 B11R1.4 CCCCCCN1CCSC1 269982a_100011215254_100000210757 [0,1,0,1,0,0|1,1,0]=4 18271 B11R1.4 CCCCNCC1=NCCN1 7a_106832991798_100000737910 [0,1,0,1,0,0|2,0,0]=4 18272 B11R1.4 CCCCOCC1=NCCN1 34a_100000210227_100000737910 [0,1,0,1,0,0|2,0,0]=4 18273 B11R1.4 CCCCOCC1=NCCN1 7a_100000210227_100000737910 [0,1,0,1,0,0|2,0,0]=4 18274 B11R1.4 CCCCSCC1=NCCN1 62a_100000210211_100000737910 [0,1,0,1,0,0|2,0,0]=4 18275 B11R1.4 CCCCSCC1=NCCN1 62a_100000737910_100000210210 [0,1,0,1,0,0|2,0,0]=4 18276 B11R1.16 C#CCC(=O)C1CCCCC1 1458a_100000210647_100000184674 [0,1,0,1,0,0|0,0,1]=3 18277 B11R1.16 C#CCC(=O)C1CCCCC1 1458a_100011220946_100000210327 [0,1,0,1,0,0|0,0,1]=3 18278 B11R1.16 C#CCC(=O)C1CCCCO1 1458a_100000748299_100000184674 [0,1,0,1,0,0|1,0,1]=4 18279 B11R1.16 C#CCC(=O)C1CCCOC1 1458a_100000741522_100000184674 [0,1,0,1,0,0|1,0,1]=4 18280 B11R1.16 C#CCC(=O)C1CCCOC1 1458a_100011220946_100000693364 [0,1,0,1,0,0|1,0,1]=4 18281 B11R1.16 C#CCC(=O)C1CCOCC1 1458a_100000195482_100000184674 [0,1,0,1,0,0|1,0,1]=4 18282 B11R1.16 C#CCC(=O)C1CCOCC1 1458a_100011220946_100011324220 [0,1,0,1,0,0|1,0,1]=4 18283 B11R1.16 C#CCC(=O)C1CCSCC1 1458a_100000755232_100000184674 [0,1,0,1,0,0|1,0,1]=4 18284 B11R1.16 C=CCC(=O)C1CCCCC1 1458a_100000210193_100000210327 [0,1,0,1,0,0|0,0,1]=3 18285 B11R1.16 C=CCC(=O)C1CCCCC1 1458a_100000210647_100000210623 [0,1,0,1,0,0|0,0,1]=3 18286 B11R1.16 C=CCC(=O)C1CCCCO1 1458a_100000748299_100000210623 [0,1,0,1,0,0|1,0,1]=4 18287 B11R1.16 C=CCC(=O)C1CCCOC1 1458a_100000210193_100000693364 [0,1,0,1,0,0|1,0,1]=4 18288 B11R1.16 C=CCC(=O)C1CCCOC1 1458a_100000741522_100000210623 [0,1,0,1,0,0|1,0,1]=4 18289 B11R1.16 C=CCC(=O)C1CCOCC1 1458a_100000195482_100000210623 [0,1,0,1,0,0|1,0,1]=4 18290 B11R1.16 C=CCC(=O)C1CCOCC1 1458a_100000210193_100011324220 [0,1,0,1,0,0|1,0,1]=4 18291 B11R1.16 C=CCC(=O)C1CCSCC1 1458a_100000755232_100000210623 [0,1,0,1,0,0|1,0,1]=4 18292 B11R1.16 CC#CC(=O)C1CCCCC1 1458a_100000763181_100000210327 [0,1,0,1,0,0|0,0,1]=3 18293 B11R1.16 CC#CC(=O)C1CCCOC1 1458a_100000763181_100000693364 [0,1,0,1,0,0|1,0,1]=4 18294 B11R1.16 CC#CC(=O)C1CCOCC1 1458a_100000763181_100011324220 [0,1,0,1,0,0|1,0,1]=4 18295 B11R1.16 CC=CC(=O)C1CCCCC1 1458a_100000210699_100000210327 [0,1,0,1,0,0|0,0,1]=3 18296 B11R1.16 CC=CC(=O)C1CCCOC1 1458a_100000210699_100000693364 [0,1,0,1,0,0|1,0,1]=4 18297 B11R1.16 CC=CC(=O)C1CCOCC1 1458a_100000210699_100011324220 [0,1,0,1,0,0|1,0,1]=4 18298 B11R1.16 CCCC(=O)C1=CCCCC1 1458a_100000765259_100000210303 [0,1,0,1,0,0|0,0,2]=4 18299 B11R1.16 CCCC(=O)C1C=CCCC1 1458a_100000211992_100000751183 [0,1,0,1,0,0|0,0,2]=4 18300 B11R1.16 CCCC(=O)C1CCCCC1 1458a_100000210647_100000210303 [0,1,0,1,0,0|0,0,0]=2 18301 B11R1.16 CCCC(=O)C1CCCCC1 1458a_100000211992_100000210327 [0,1,0,1,0,0|0,0,0]=2 18302 B11R1.16 CCCC(=O)C1CCCCO1 1458a_100000748299_100000210303 [0,1,0,1,0,0|1,0,0]=3 18303 B11R1.16 CCCC(=O)C1CCCOC1 1458a_100000211992_100000693364 [0,1,0,1,0,0|1,0,0]=3 18304 B11R1.16 CCCC(=O)C1CCCOC1 1458a_100000741522_100000210303 [0,1,0,1,0,0|1,0,0]=3 18305 B11R1.16 CCCC(=O)C1CCOCC1 1458a_100000195482_100000210303 [0,1,0,1,0,0|1,0,0]=3 18306 B11R1.16 CCCC(=O)C1CCOCC1 1458a_100000211992_100011324220 [0,1,0,1,0,0|1,0,0]=3 18307 B11R1.16 CCCC(=O)C1CCSCC1 1458a_100000755232_100000210303 [0,1,0,1,0,0|1,0,0]=3 18308 B11R1.16 CCCC(=O)C1COCCO1 1458a_100000045528_100000210303 [0,1,0,1,0,0|2,0,0]=4 18309 B11R1.16 CCCC(=O)C1SCCCS1 1458a_100000028545_100000210303 [0,1,0,1,0,0|2,0,0]=4 18310 B11R1.16 CCCC(=O)N1CCCOC1 11a_100000131196_100000211992 [0,1,0,1,0,0|2,0,0]=4 18311 B11R1.16 CCCC(=O)N1CCCOC1 240690a_100000131196_100000211992 [0,1,0,1,0,0|2,0,0]=4 18312 B11R1.16 CCCC(=O)N1CCOCC1 11a_100015191051_100000211992 [0,1,0,1,0,0|2,0,0]=4 18313 B11R1.16 CCCC(=O)N1CCOCC1 1626a_100015191051_100000211992 [0,1,0,1,0,0|2,0,0]=4 18314 B11R1.16 CCCC(=O)N1CCOCC1 240690a_100015191051_100000211992 [0,1,0,1,0,0|2,0,0]=4 18315 B11R1.16 CCCC(=O)N1CCOCC1 527a_100015191051_100000211992 [0,1,0,1,0,0|2,0,0]=4 18316 B11R1.16 CCCC(=O)N1CCSCC1 11a_100000737611_100000211992 [0,1,0,1,0,0|2,0,0]=4 18317 B11R1.16 CCCC(=O)N1CCSCC1 240690a_100000737611_100000211992 [0,1,0,1,0,0|2,0,0]=4 18318 B11R1.16 CCCC(=O)N1CCSCC1 527a_100000737611_100000211992 [0,1,0,1,0,0|2,0,0]=4 18319 B11R1.16 CCCC(=O)[C@H]1CC=CCC1 1458a_100009820709_100000210303 [0,1,0,1,0,0|0,0,2]=4 18320 B11R1.16 CCCN(C)C1CCCCC1 2230a_100000207522_100000210303 [0,1,0,1,0,0|2,0,0]=4 18321 B11R1.16 CCCN(C)C1CCCCC1 2230a_100000750343_200000210301 [0,1,0,1,0,0|2,0,0]=4 18322 B11R1.16 CCCN(C)C1CCCCC1 269982a_100000207522_100000210303 [0,1,0,1,0,0|2,0,0]=4 18323 B11R1.16 CCCN(C)C1CCCCC1 269982a_100000747261_100000210327 [0,1,0,1,0,0|2,0,0]=4 18324 B11R1.16 CCCN(C)C1CCCCC1 269982a_100000750343_200000210301 [0,1,0,1,0,0|2,0,0]=4 18325 B11R1.16 CCCN(C)C1CCCCC1 270004a_100000747261_100000210434 [0,1,0,1,0,0|2,0,0]=4 18326 B11R1.16 CCCN(C)C1CCCCC1 34a_100000207522_100000210303 [0,1,0,1,0,0|2,0,0]=4 18327 B11R1.16 CCCN(C)C1CCCCC1 34a_100000750343_200000210301 [0,1,0,1,0,0|2,0,0]=4 18328 B11R1.16 CCCN([13CH3])C1CCCCC1 2230a_100000750343_200025704644 [0,1,0,1,0,0|2,0,0]=4 18329 B11R1.16 CCCN([13CH3])C1CCCCC1 269982a_100000750343_200025704644 [0,1,0,1,0,0|2,0,0]=4 18330 B11R1.16 CCCN([13CH3])C1CCCCC1 34a_100000750343_200025704644 [0,1,0,1,0,0|2,0,0]=4 18331 B11R1.16 CCNC(=O)C1=CCCCC1 11a_100015525214_100000765259 [0,1,0,1,0,0|0,0,2]=4 18332 B11R1.16 CCNC(=O)C1=CCCCC1 240690a_100015525214_100000765259 [0,1,0,1,0,0|0,0,2]=4 18333 B11R1.16 CCNC(=O)C1=CCCCC1 527a_100015525214_100000765259 [0,1,0,1,0,0|0,0,2]=4 18334 B11R1.16 CCNC(=O)C1CCCCC1 11a_100015525214_100000210647 [0,1,0,1,0,0|0,0,0]=2 18335 B11R1.16 CCNC(=O)C1CCCCC1 240690a_100015525214_100000210647 [0,1,0,1,0,0|0,0,0]=2 18336 B11R1.16 CCNC(=O)C1CCCCC1 527a_100015525214_100000210647 [0,1,0,1,0,0|0,0,0]=2 18337 B11R1.16 CCNC(=O)C1CCCCO1 11a_100015525214_100000748299 [0,1,0,1,0,0|1,0,0]=3 18338 B11R1.16 CCNC(=O)C1CCCCO1 240690a_100015525214_100000748299 [0,1,0,1,0,0|1,0,0]=3 18339 B11R1.16 CCNC(=O)C1CCCCO1 527a_100015525214_100000748299 [0,1,0,1,0,0|1,0,0]=3 18340 B11R1.16 CCNC(=O)C1CCCOC1 11a_100015525214_100000741522 [0,1,0,1,0,0|1,0,0]=3 18341 B11R1.16 CCNC(=O)C1CCCOC1 240690a_100015525214_100000741522 [0,1,0,1,0,0|1,0,0]=3 18342 B11R1.16 CCNC(=O)C1CCCOC1 527a_100015525214_100000741522 [0,1,0,1,0,0|1,0,0]=3 18343 B11R1.16 CCNC(=O)C1CCOCC1 11a_100015525214_100000195482 [0,1,0,1,0,0|1,0,0]=3 18344 B11R1.16 CCNC(=O)C1CCOCC1 240690a_100015525214_100000195482 [0,1,0,1,0,0|1,0,0]=3 18345 B11R1.16 CCNC(=O)C1CCOCC1 527a_100015525214_100000195482 [0,1,0,1,0,0|1,0,0]=3 18346 B11R1.16 CCNC(=O)C1CCSCC1 11a_100015525214_100000755232 [0,1,0,1,0,0|1,0,0]=3 18347 B11R1.16 CCNC(=O)C1CCSCC1 240690a_100015525214_100000755232 [0,1,0,1,0,0|1,0,0]=3 18348 B11R1.16 CCNC(=O)C1CCSCC1 527a_100015525214_100000755232 [0,1,0,1,0,0|1,0,0]=3 18349 B11R1.16 CCNC(=O)C1COCCO1 11a_100015525214_100000045528 [0,1,0,1,0,0|2,0,0]=4 18350 B11R1.16 CCNC(=O)C1COCCO1 240690a_100015525214_100000045528 [0,1,0,1,0,0|2,0,0]=4 18351 B11R1.16 CCNC(=O)C1COCCO1 527a_100015525214_100000045528 [0,1,0,1,0,0|2,0,0]=4 18352 B11R1.16 CCNC(=O)C1SCCCS1 11a_100015525214_100000028545 [0,1,0,1,0,0|2,0,0]=4 18353 B11R1.16 CCNC(=O)C1SCCCS1 240690a_100015525214_100000028545 [0,1,0,1,0,0|2,0,0]=4 18354 B11R1.16 CCNC(=O)C1SCCCS1 527a_100015525214_100000028545 [0,1,0,1,0,0|2,0,0]=4 18355 B11R1.16 CCNC(=O)N1CCCOC1 2708a_100015525214_100000131196 [0,1,0,1,0,0|2,0,0]=4 18356 B11R1.16 CCNC(=O)N1CCCOC1 273464a_100015525214_100000131196 [0,1,0,1,0,0|2,0,0]=4 18357 B11R1.16 CCNC(=O)N1CCOCC1 2708a_100015525214_100015191051 [0,1,0,1,0,0|2,0,0]=4 18358 B11R1.16 CCNC(=O)N1CCOCC1 273464a_100015525214_100015191051 [0,1,0,1,0,0|2,0,0]=4 18359 B11R1.16 CCNC(=O)N1CCSCC1 2708a_100015525214_100000737611 [0,1,0,1,0,0|2,0,0]=4 18360 B11R1.16 CCNC(=O)N1CCSCC1 273464a_100015525214_100000737611 [0,1,0,1,0,0|2,0,0]=4 18361 B11R1.16 CCNC(=O)[C@H]1CC=CCC1 11a_100015525214_100009820709 [0,1,0,1,0,0|0,0,2]=4 18362 B11R1.16 CCNC(=O)[C@H]1CC=CCC1 240690a_100015525214_100009820709 [0,1,0,1,0,0|0,0,2]=4 18363 B11R1.16 CCNC(=O)[C@H]1CC=CCC1 527a_100015525214_100009820709 [0,1,0,1,0,0|0,0,2]=4 18364 B11R1.16 CCNC(C)C1CCCCC1 269862a_100015525214_100000210989 [0,1,0,1,0,0|1,0,1]=4 18365 B11R1.16 CCN[C@H](C)C1CCCCC1 2230a_100025707633_100000210202 [0,1,0,1,0,0|1,0,1]=4 18366 B11R1.16 CCN[C@H](C)C1CCCCC1 34a_100025707633_100000210202 [0,1,0,1,0,0|1,0,1]=4 18367 B11R1.16 CCOC(C)C1CCCCC1 34a_100011216961_100000210202 [0,1,0,1,0,0|1,0,1]=4 18368 B11R1.16 CCOC(C)C1CCCCC1 7a_100011216961_100000210202 [0,1,0,1,0,0|1,0,1]=4 18369 B11R1.16 CN(CCF)C1CCCCC1 2230a_100000207522_100011217306 [0,1,0,1,0,0|2,0,0]=4 18370 B11R1.16 CN(CCF)C1CCCCC1 269982a_100000207522_100011217306 [0,1,0,1,0,0|2,0,0]=4 18371 B11R1.16 CN(CCF)C1CCCCC1 34a_100000207522_100011217306 [0,1,0,1,0,0|2,0,0]=4 18372 B11R1.16 CN(CCO)C1CCCCC1 2230a_100000200466_200000210301 [0,1,0,1,0,0|2,0,0]=4 18373 B11R1.16 CN(CCO)C1CCCCC1 2230a_100000207522_100000211926 [0,1,0,1,0,0|2,0,0]=4 18374 B11R1.16 CN(CCO)C1CCCCC1 269982a_100000200466_200000210301 [0,1,0,1,0,0|2,0,0]=4 18375 B11R1.16 CN(CCO)C1CCCCC1 269982a_100000207522_100000211926 [0,1,0,1,0,0|2,0,0]=4 18376 B11R1.16 CN(CCO)C1CCCCC1 269982a_100000210263_100000210327 [0,1,0,1,0,0|2,0,0]=4 18377 B11R1.16 CN(CCO)C1CCCCC1 270004a_100000210263_100000210434 [0,1,0,1,0,0|2,0,0]=4 18378 B11R1.16 CN(CCO)C1CCCCC1 34a_100000200466_200000210301 [0,1,0,1,0,0|2,0,0]=4 18379 B11R1.16 CN(CCO)C1CCCCC1 34a_100000207522_100000211926 [0,1,0,1,0,0|2,0,0]=4 18380 B11R1.16 CNCC(=O)C1CCCCC1 2230a_106832991635_100000241979 [0,1,0,1,0,0|0,0,0]=2 18381 B11R1.16 CNCC(=O)C1CCCCC1 34a_100102657272_100000241979 [0,1,0,1,0,0|0,0,0]=2 18382 B11R1.16 CNCC(=O)C1CCCCC1 7a_106832991635_100000241979 [0,1,0,1,0,0|0,0,0]=2 18383 B11R1.16 CNCC(=O)C1CCOCC1 2230a_106832991635_100000689883 [0,1,0,1,0,0|1,0,0]=3 18384 B11R1.16 CNCC(=O)C1CCOCC1 34a_100102657272_100000689883 [0,1,0,1,0,0|1,0,0]=3 18385 B11R1.16 CNCC(=O)C1CCOCC1 7a_106832991635_100000689883 [0,1,0,1,0,0|1,0,0]=3 18386 B11R1.16 CNCC(=O)N1CCCCC1 2230a_100000751303_200000210301 [0,1,0,1,0,0|1,0,0]=3 18387 B11R1.16 CNCC(=O)N1CCCCC1 2230a_106832991635_100000183409 [0,1,0,1,0,0|1,0,0]=3 18388 B11R1.16 CNCC(=O)N1CCCCC1 34a_100102657272_100000183409 [0,1,0,1,0,0|1,0,0]=3 18389 B11R1.16 CNCC(=O)N1CCCCC1 7a_106832991635_100000183409 [0,1,0,1,0,0|1,0,0]=3 18390 B11R1.16 CNCC(=O)N1CCOCC1 2230a_100000697423_200000210301 [0,1,0,1,0,0|2,0,0]=4 18391 B11R1.16 CNCC(=O)N1CCOCC1 2230a_106832991635_100000183410 [0,1,0,1,0,0|2,0,0]=4 18392 B11R1.16 CNCC(=O)N1CCOCC1 34a_100102657272_100000183410 [0,1,0,1,0,0|2,0,0]=4 18393 B11R1.16 CNCC(=O)N1CCOCC1 7a_106832991635_100000183410 [0,1,0,1,0,0|2,0,0]=4 18394 B11R1.16 CNNC(=O)C1CCCCC1 22a_100016993582_100000210647 [0,1,0,1,0,0|1,0,0]=3 18395 B11R1.16 CNNC(=O)C1CCCCO1 22a_100016993582_100000748299 [0,1,0,1,0,0|2,0,0]=4 18396 B11R1.16 CNNC(=O)C1CCCOC1 22a_100016993582_100000741522 [0,1,0,1,0,0|2,0,0]=4 18397 B11R1.16 CNNC(=O)C1CCOCC1 22a_100016993582_100000195482 [0,1,0,1,0,0|2,0,0]=4 18398 B11R1.16 CNNC(=O)C1CCSCC1 22a_100016993582_100000755232 [0,1,0,1,0,0|2,0,0]=4 18399 B11R1.16 COCC(=O)C1C=CCCC1 1458a_100000210968_100000751183 [0,1,0,1,0,0|0,0,2]=4 18400 B11R1.16 COCC(=O)C1CCCCC1 1458a_100000210968_100000210327 [0,1,0,1,0,0|0,0,0]=2 18401 B11R1.16 COCC(=O)C1CCCCC1 34a_100138415774_100000241979 [0,1,0,1,0,0|0,0,0]=2 18402 B11R1.16 COCC(=O)C1CCCOC1 1458a_100000210968_100000693364 [0,1,0,1,0,0|1,0,0]=3 18403 B11R1.16 COCC(=O)C1CCOCC1 1458a_100000210968_100011324220 [0,1,0,1,0,0|1,0,0]=3 18404 B11R1.16 COCC(=O)C1CCOCC1 34a_100138415774_100000689883 [0,1,0,1,0,0|1,0,0]=3 18405 B11R1.16 COCC(=O)N1CCCCC1 34a_100138415774_100000183409 [0,1,0,1,0,0|1,0,0]=3 18406 B11R1.16 COCC(=O)N1CCCCC1 7a_100011315646_200000210301 [0,1,0,1,0,0|1,0,0]=3 18407 B11R1.16 COCC(=O)N1CCCOC1 11a_100000131196_100000210968 [0,1,0,1,0,0|2,0,0]=4 18408 B11R1.16 COCC(=O)N1CCCOC1 240690a_100000131196_100000210968 [0,1,0,1,0,0|2,0,0]=4 18409 B11R1.16 COCC(=O)N1CCOCC1 11a_100015191051_100000210968 [0,1,0,1,0,0|2,0,0]=4 18410 B11R1.16 COCC(=O)N1CCOCC1 1626a_100015191051_100000210968 [0,1,0,1,0,0|2,0,0]=4 18411 B11R1.16 COCC(=O)N1CCOCC1 240690a_100015191051_100000210968 [0,1,0,1,0,0|2,0,0]=4 18412 B11R1.16 COCC(=O)N1CCOCC1 34a_100138415774_100000183410 [0,1,0,1,0,0|2,0,0]=4 18413 B11R1.16 COCC(=O)N1CCOCC1 527a_100015191051_100000210968 [0,1,0,1,0,0|2,0,0]=4 18414 B11R1.16 COCC(=O)N1CCOCC1 7a_100000752472_200000210301 [0,1,0,1,0,0|2,0,0]=4 18415 B11R1.16 COCC(=O)N1CCSCC1 11a_100000737611_100000210968 [0,1,0,1,0,0|2,0,0]=4 18416 B11R1.16 COCC(=O)N1CCSCC1 240690a_100000737611_100000210968 [0,1,0,1,0,0|2,0,0]=4 18417 B11R1.16 COCC(=O)N1CCSCC1 527a_100000737611_100000210968 [0,1,0,1,0,0|2,0,0]=4 18418 B11R1.16 COCN(C)C1CCCCC1 2230a_100000207522_100000766300 [0,1,0,1,0,0|2,0,0]=4 18419 B11R1.16 COCN(C)C1CCCCC1 269982a_100000207522_100000766300 [0,1,0,1,0,0|2,0,0]=4 18420 B11R1.16 COC[C@H](N)C1CCCCC1 34a_100009817630_200000210301 [0,1,0,1,0,0|1,0,1]=4 18421 B11R1.16 CSCC(=O)C1C=CCCC1 1458a_100000184570_100000751183 [0,1,0,1,0,0|0,0,2]=4 18422 B11R1.16 CSCC(=O)C1CCCCC1 1458a_100000184570_100000210327 [0,1,0,1,0,0|0,0,0]=2 18423 B11R1.16 CSCC(=O)C1CCCCC1 62a_100000241979_200000210301 [0,1,0,1,0,0|0,0,0]=2 18424 B11R1.16 CSCC(=O)C1CCCCC1 62a_200000210301_100000241979 [0,1,0,1,0,0|0,0,0]=2 18425 B11R1.16 CSCC(=O)C1CCCOC1 1458a_100000184570_100000693364 [0,1,0,1,0,0|1,0,0]=3 18426 B11R1.16 CSCC(=O)C1CCOCC1 1458a_100000184570_100011324220 [0,1,0,1,0,0|1,0,0]=3 18427 B11R1.16 CSCC(=O)C1CCOCC1 62a_100000689883_200000210301 [0,1,0,1,0,0|1,0,0]=3 18428 B11R1.16 CSCC(=O)C1CCOCC1 62a_200000210301_100000689883 [0,1,0,1,0,0|1,0,0]=3 18429 B11R1.16 CSCC(=O)N1CCCCC1 62a_100000183409_200000210301 [0,1,0,1,0,0|1,0,0]=3 18430 B11R1.16 CSCC(=O)N1CCCCC1 62a_200000210301_100000183409 [0,1,0,1,0,0|1,0,0]=3 18431 B11R1.16 CSCC(=O)N1CCCOC1 11a_100000131196_100000184570 [0,1,0,1,0,0|2,0,0]=4 18432 B11R1.16 CSCC(=O)N1CCCOC1 240690a_100000131196_100000184570 [0,1,0,1,0,0|2,0,0]=4 18433 B11R1.16 CSCC(=O)N1CCOCC1 11a_100015191051_100000184570 [0,1,0,1,0,0|2,0,0]=4 18434 B11R1.16 CSCC(=O)N1CCOCC1 1626a_100015191051_100000184570 [0,1,0,1,0,0|2,0,0]=4 18435 B11R1.16 CSCC(=O)N1CCOCC1 240690a_100015191051_100000184570 [0,1,0,1,0,0|2,0,0]=4 18436 B11R1.16 CSCC(=O)N1CCOCC1 527a_100015191051_100000184570 [0,1,0,1,0,0|2,0,0]=4 18437 B11R1.16 CSCC(=O)N1CCOCC1 62a_100000183410_200000210301 [0,1,0,1,0,0|2,0,0]=4 18438 B11R1.16 CSCC(=O)N1CCOCC1 62a_200000210301_100000183410 [0,1,0,1,0,0|2,0,0]=4 18439 B11R1.16 CSCC(=O)N1CCSCC1 11a_100000737611_100000184570 [0,1,0,1,0,0|2,0,0]=4 18440 B11R1.16 CSCC(=O)N1CCSCC1 240690a_100000737611_100000184570 [0,1,0,1,0,0|2,0,0]=4 18441 B11R1.16 CSCC(=O)N1CCSCC1 527a_100000737611_100000184570 [0,1,0,1,0,0|2,0,0]=4 18442 B11R1.16 CSCN(C)C1CCCCC1 2230a_100000207522_100011218213 [0,1,0,1,0,0|2,0,0]=4 18443 B11R1.16 CSCN(C)C1CCCCC1 269982a_100000207522_100011218213 [0,1,0,1,0,0|2,0,0]=4 18444 B11R1.16 CSCN(C)C1CCCCC1 34a_100000207522_100011218213 [0,1,0,1,0,0|2,0,0]=4 18445 B11R1.16 N#CCC(=O)C1CCCCC1 1458a_100000210647_100011214920 [0,1,0,1,0,0|0,0,1]=3 18446 B11R1.16 N#CCC(=O)C1CCCCC1 1458a_100051588842_100000210327 [0,1,0,1,0,0|0,0,1]=3 18447 B11R1.16 N#CCC(=O)C1CCCCO1 1458a_100000748299_100011214920 [0,1,0,1,0,0|1,0,1]=4 18448 B11R1.16 N#CCC(=O)C1CCCOC1 1458a_100000741522_100011214920 [0,1,0,1,0,0|1,0,1]=4 18449 B11R1.16 N#CCC(=O)C1CCCOC1 1458a_100051588842_100000693364 [0,1,0,1,0,0|1,0,1]=4 18450 B11R1.16 N#CCC(=O)C1CCOCC1 1458a_100000195482_100011214920 [0,1,0,1,0,0|1,0,1]=4 18451 B11R1.16 N#CCC(=O)C1CCOCC1 1458a_100051588842_100011324220 [0,1,0,1,0,0|1,0,1]=4 18452 B11R1.16 N#CCC(=O)C1CCSCC1 1458a_100000755232_100011214920 [0,1,0,1,0,0|1,0,1]=4 18453 B11R1.16 O=C(C=CBr)C1CCCCC1 1458a_100016273825_100000210327 [0,1,0,1,0,0|0,0,2]=4 18454 B11R1.16 O=C(C=CCl)C1CCCCC1 1458a_200016279998_100000210327 [0,1,0,1,0,0|0,0,2]=4 18455 B11R1.16 O=C(C=CI)C1CCCCC1 1458a_100016256311_100000210327 [0,1,0,1,0,0|0,0,2]=4 18456 B11R1.16 O=C(CCF)C1=CCCCC1 1458a_100000765259_100011217306 [0,1,0,1,0,0|0,0,2]=4 18457 B11R1.16 O=C(CCF)C1CCCCC1 1458a_100000210647_100011217306 [0,1,0,1,0,0|0,0,0]=2 18458 B11R1.16 O=C(CCF)C1CCCCO1 1458a_100000748299_100011217306 [0,1,0,1,0,0|1,0,0]=3 18459 B11R1.16 O=C(CCF)C1CCCOC1 1458a_100000741522_100011217306 [0,1,0,1,0,0|1,0,0]=3 18460 B11R1.16 O=C(CCF)C1CCOCC1 1458a_100000195482_100011217306 [0,1,0,1,0,0|1,0,0]=3 18461 B11R1.16 O=C(CCF)C1CCSCC1 1458a_100000755232_100011217306 [0,1,0,1,0,0|1,0,0]=3 18462 B11R1.16 O=C(CCF)C1COCCO1 1458a_100000045528_100011217306 [0,1,0,1,0,0|2,0,0]=4 18463 B11R1.16 O=C(CCF)C1SCCCS1 1458a_100000028545_100011217306 [0,1,0,1,0,0|2,0,0]=4 18464 B11R1.16 O=C(CCF)[C@H]1CC=CCC1 1458a_100009820709_100011217306 [0,1,0,1,0,0|0,0,2]=4 18465 B11R1.16 O=C(CCO)C1=CCCCC1 1458a_100000765259_100000211926 [0,1,0,1,0,0|0,0,2]=4 18466 B11R1.16 O=C(CCO)C1C=CCCC1 1458a_100011216618_100000751183 [0,1,0,1,0,0|0,0,2]=4 18467 B11R1.16 O=C(CCO)C1CCCCC1 1458a_100000210647_100000211926 [0,1,0,1,0,0|0,0,0]=2 18468 B11R1.16 O=C(CCO)C1CCCCC1 1458a_100011216618_100000210327 [0,1,0,1,0,0|0,0,0]=2 18469 B11R1.16 O=C(CCO)C1CCCCO1 1458a_100000748299_100000211926 [0,1,0,1,0,0|1,0,0]=3 18470 B11R1.16 O=C(CCO)C1CCCOC1 1458a_100000741522_100000211926 [0,1,0,1,0,0|1,0,0]=3 18471 B11R1.16 O=C(CCO)C1CCCOC1 1458a_100011216618_100000693364 [0,1,0,1,0,0|1,0,0]=3 18472 B11R1.16 O=C(CCO)C1CCOCC1 1458a_100000195482_100000211926 [0,1,0,1,0,0|1,0,0]=3 18473 B11R1.16 O=C(CCO)C1CCOCC1 1458a_100011216618_100011324220 [0,1,0,1,0,0|1,0,0]=3 18474 B11R1.16 O=C(CCO)C1CCSCC1 1458a_100000755232_100000211926 [0,1,0,1,0,0|1,0,0]=3 18475 B11R1.16 O=C(CCO)C1COCCO1 1458a_100000045528_100000211926 [0,1,0,1,0,0|2,0,0]=4 18476 B11R1.16 O=C(CCO)C1SCCCS1 1458a_100000028545_100000211926 [0,1,0,1,0,0|2,0,0]=4 18477 B11R1.16 O=C(CCO)N1CCCOC1 240690a_100000131196_100011216618 [0,1,0,1,0,0|2,0,0]=4 18478 B11R1.16 O=C(CCO)N1CCOCC1 240690a_100015191051_100011216618 [0,1,0,1,0,0|2,0,0]=4 18479 B11R1.16 O=C(CCO)N1CCSCC1 240690a_100000737611_100011216618 [0,1,0,1,0,0|2,0,0]=4 18480 B11R1.16 O=C(CCO)[C@H]1CC=CCC1 1458a_100009820709_100000211926 [0,1,0,1,0,0|0,0,2]=4 18481 B11R1.16 [13CH3]N(CCO)C1CCCCC1 2230a_100000200466_200025704644 [0,1,0,1,0,0|2,0,0]=4 18482 B11R1.16 [13CH3]N(CCO)C1CCCCC1 269982a_100000200466_200025704644 [0,1,0,1,0,0|2,0,0]=4 18483 B11R1.16 [13CH3]N(CCO)C1CCCCC1 34a_100000200466_200025704644 [0,1,0,1,0,0|2,0,0]=4 18484 B11R1.16 [13CH3]NCC(=O)N1CCCCC1 2230a_100000751303_200025704644 [0,1,0,1,0,0|1,0,0]=3 18485 B11R1.16 [13CH3]NCC(=O)N1CCOCC1 2230a_100000697423_200025704644 [0,1,0,1,0,0|2,0,0]=4 18486 B11R1.16 [13CH3]OCC(=O)N1CCCCC1 7a_100011315646_200025704644 [0,1,0,1,0,0|1,0,0]=3 18487 B11R1.16 [13CH3]OCC(=O)N1CCOCC1 7a_100000752472_200025704644 [0,1,0,1,0,0|2,0,0]=4 18488 B11R1.16 [13CH3]OC[C@H](N)C1CCCCC1 34a_100009817630_200025704644 [0,1,0,1,0,0|1,0,1]=4 18489 B11R1.16 [13CH3]SCC(=O)C1CCCCC1 62a_100000241979_200025704644 [0,1,0,1,0,0|0,0,0]=2 18490 B11R1.16 [13CH3]SCC(=O)C1CCCCC1 62a_200025704644_100000241979 [0,1,0,1,0,0|0,0,0]=2 18491 B11R1.16 [13CH3]SCC(=O)C1CCOCC1 62a_100000689883_200025704644 [0,1,0,1,0,0|1,0,0]=3 18492 B11R1.16 [13CH3]SCC(=O)C1CCOCC1 62a_200025704644_100000689883 [0,1,0,1,0,0|1,0,0]=3 18493 B11R1.16 [13CH3]SCC(=O)N1CCCCC1 62a_100000183409_200025704644 [0,1,0,1,0,0|1,0,0]=3 18494 B11R1.16 [13CH3]SCC(=O)N1CCCCC1 62a_200025704644_100000183409 [0,1,0,1,0,0|1,0,0]=3 18495 B11R1.16 [13CH3]SCC(=O)N1CCOCC1 62a_100000183410_200025704644 [0,1,0,1,0,0|2,0,0]=4 18496 B11R1.16 [13CH3]SCC(=O)N1CCOCC1 62a_200025704644_100000183410 [0,1,0,1,0,0|2,0,0]=4 18497 B11R1.24 CCCCN1CCC=C(C1)C 2230a_100000725631_100000210211 [0,1,0,1,0,0|2,0,0]=4 18498 B11R1.24 CCCCN1CCC=C(C1)C 269982a_100000725631_100000210211 [0,1,0,1,0,0|2,0,0]=4 18499 B11R1.24 CCCCN1CCC=C(C1)C 34a_100000725631_100000210210 [0,1,0,1,0,0|2,0,0]=4 18500 B11R1.24 CCCCN1CCNC(=O)C1 2230a_100000184651_100000210211 [0,1,0,1,0,0|1,0,0]=3 18501 B11R1.24 CCCCN1CCOC(=O)C1 2230a_100000131268_100000210211 [0,1,0,1,0,0|1,0,0]=3 18502 B11R1.24 CCCNC1CCNC(=O)C1 2230a_100016994916_100000210303 [0,1,0,1,0,0|1,0,0]=3 18503 B11R1.24 CCCNC1CCNC(=O)C1 34a_100016994916_100000210303 [0,1,0,1,0,0|1,0,0]=3 18504 B11R1.24 CCCOC1CCCC(=O)C1 34a_100012613340_100000210303 [0,1,0,1,0,0|1,0,0]=3 18505 B11R1.24 CCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210303 [0,1,0,1,0,0|1,0,0]=3 18506 B11R1.24 CCOCC1CCCC(=O)N1 34a_200000102386_100000210202 [0,1,0,1,0,0|2,0,0]=4 18507 B11R1.24 CCOCC1CCNC(=O)C1 34a_100009886756_100000210202 [0,1,0,1,0,0|1,0,0]=3 18508 B11R1.24 CCOCC1COCC(=O)N1 34a_200000101122_100000210202 [0,1,0,1,0,0|2,0,0]=4 18509 B11R1.24 COCCN1CCNC(=O)C1 2230a_100000184651_100011201679 [0,1,0,1,0,0|2,0,0]=4 18510 B11R1.24 COCCN1CCOC(=O)C1 2230a_100000131268_100011201679 [0,1,0,1,0,0|2,0,0]=4 18511 B11R1.24 COCNC1CCNC(=O)C1 2230a_100016994916_100000766300 [0,1,0,1,0,0|2,0,0]=4 18512 B11R1.24 CSCCN1CCNC(=O)C1 2230a_100000184651_100000751147 [0,1,0,1,0,0|2,0,0]=4 18513 B11R1.24 CSCCN1CCOC(=O)C1 2230a_100000131268_100000751147 [0,1,0,1,0,0|2,0,0]=4 18514 B11R1.24 CSCNC1CCNC(=O)C1 2230a_100016994916_100011218213 [0,1,0,1,0,0|2,0,0]=4 18515 B11R1.24 CSCNC1CCNC(=O)C1 34a_100016994916_100011218213 [0,1,0,1,0,0|2,0,0]=4 18516 B11R1.24 CSCOC1CCCC(=O)C1 34a_100012613340_100011218213 [0,1,0,1,0,0|2,0,0]=4 18517 B11R1.24 CSCO[C@@H]1CCNC(=O)C1 34a_100015189427_100011218213 [0,1,0,1,0,0|2,0,0]=4 18518 B11R1.24 O=C1CC(CCN1)COCF 34a_100009886756_100015361967 [0,1,0,1,0,0|2,0,0]=4 18519 B11R1.24 O=C1CC(CCN1)NCCF 2230a_100016994916_100011217306 [0,1,0,1,0,0|2,0,0]=4 18520 B11R1.24 O=C1CC(CCN1)NCCF 34a_100016994916_100011217306 [0,1,0,1,0,0|2,0,0]=4 18521 B11R1.24 O=C1CC(CCN1)NCCO 2230a_100016994916_100000211926 [0,1,0,1,0,0|2,0,0]=4 18522 B11R1.24 O=C1CC(CCN1)NCCO 34a_100016994916_100000211926 [0,1,0,1,0,0|2,0,0]=4 18523 B11R1.24 O=C1CCCC(C1)OCCF 34a_100012613340_100011217306 [0,1,0,1,0,0|2,0,0]=4 18524 B11R1.24 O=C1CCCC(C1)OCCO 34a_100012613340_100000211926 [0,1,0,1,0,0|2,0,0]=4 18525 B11R1.24 O=C1CN(CCN1)CCCF 2230a_100000184651_100011934791 [0,1,0,1,0,0|2,0,0]=4 18526 B11R1.24 O=C1CN(CCN1)CCCO 2230a_100000184651_100000230001 [0,1,0,1,0,0|2,0,0]=4 18527 B11R1.24 O=C1CN(CCO1)CCCF 2230a_100000131268_100011934791 [0,1,0,1,0,0|2,0,0]=4 18528 B11R1.24 O=C1CN(CCO1)CCCO 2230a_100000131268_100000230001 [0,1,0,1,0,0|2,0,0]=4 18529 B11R1.24 O=C1C[C@@H](CCN1)OCCF 34a_100015189427_100011217306 [0,1,0,1,0,0|2,0,0]=4 18530 B11R1.24 O=C1C[C@@H](CCN1)OCCO 34a_100015189427_100000211926 [0,1,0,1,0,0|2,0,0]=4 18531 B11R1.30 C#CCC(=O)CC1CCCC1 1458a_100000210891_100000184674 [0,1,0,1,0,0|0,0,1]=3 18532 B11R1.30 C#CCC(=O)CC1CCCC1 1458a_100011220946_100000740388 [0,1,0,1,0,0|0,0,1]=3 18533 B11R1.30 C#CCC(=O)CC1CCCO1 1458a_100011220946_100000203698 [0,1,0,1,0,0|1,0,1]=4 18534 B11R1.30 C#CCC(=O)CC1CCOC1 1458a_100011218419_100000184674 [0,1,0,1,0,0|1,0,1]=4 18535 B11R1.30 C#CCC(=O)CC1CCOC1 1458a_100011220946_100000702531 [0,1,0,1,0,0|1,0,1]=4 18536 B11R1.30 C#CCC(=O)CN1CCCC1 1458a_100000740243_100000184674 [0,1,0,1,0,0|1,0,1]=4 18537 B11R1.30 C#CCC(=O)NC1CCCC1 1626a_100000211070_100011220946 [0,1,0,1,0,0|1,0,1]=4 18538 B11R1.30 C#CCC(=O)NC1CCCC1 527a_100000211070_100011220946 [0,1,0,1,0,0|1,0,1]=4 18539 B11R1.30 C=CCC(=O)CC1CCCC1 1458a_100000210193_100000740388 [0,1,0,1,0,0|0,0,1]=3 18540 B11R1.30 C=CCC(=O)CC1CCCC1 1458a_100000210891_100000210623 [0,1,0,1,0,0|0,0,1]=3 18541 B11R1.30 C=CCC(=O)CC1CCCO1 1458a_100000210193_100000203698 [0,1,0,1,0,0|1,0,1]=4 18542 B11R1.30 C=CCC(=O)CC1CCOC1 1458a_100000210193_100000702531 [0,1,0,1,0,0|1,0,1]=4 18543 B11R1.30 C=CCC(=O)CC1CCOC1 1458a_100011218419_100000210623 [0,1,0,1,0,0|1,0,1]=4 18544 B11R1.30 C=CCC(=O)CN1CCCC1 1458a_100000740243_100000210623 [0,1,0,1,0,0|1,0,1]=4 18545 B11R1.30 C=CCC(=O)NC1CCCC1 11a_100000211070_100000210193 [0,1,0,1,0,0|1,0,1]=4 18546 B11R1.30 C=CCC(=O)NC1CCCC1 1626a_100000211070_100000210193 [0,1,0,1,0,0|1,0,1]=4 18547 B11R1.30 C=CCC(=O)NC1CCCC1 240690a_100000211070_100000210193 [0,1,0,1,0,0|1,0,1]=4 18548 B11R1.30 C=CCC(=O)NC1CCCC1 527a_100000211070_100000210193 [0,1,0,1,0,0|1,0,1]=4 18549 B11R1.30 CC#CC(=O)CC1CCCC1 1458a_100000763181_100000740388 [0,1,0,1,0,0|0,0,1]=3 18550 B11R1.30 CC#CC(=O)CC1CCCO1 1458a_100000763181_100000203698 [0,1,0,1,0,0|1,0,1]=4 18551 B11R1.30 CC#CC(=O)CC1CCOC1 1458a_100000763181_100000702531 [0,1,0,1,0,0|1,0,1]=4 18552 B11R1.30 CC=CC(=O)CC1CCCC1 1458a_100000210699_100000740388 [0,1,0,1,0,0|0,0,1]=3 18553 B11R1.30 CC=CC(=O)CC1CCCO1 1458a_100000210699_100000203698 [0,1,0,1,0,0|1,0,1]=4 18554 B11R1.30 CC=CC(=O)CC1CCOC1 1458a_100000210699_100000702531 [0,1,0,1,0,0|1,0,1]=4 18555 B11R1.30 CC=CC(=O)NC1CCCC1 11a_100000211070_100000210699 [0,1,0,1,0,0|1,0,1]=4 18556 B11R1.30 CC=CC(=O)NC1CCCC1 1626a_100000211070_100000210699 [0,1,0,1,0,0|1,0,1]=4 18557 B11R1.30 CC=CC(=O)NC1CCCC1 240690a_100000211070_100000210699 [0,1,0,1,0,0|1,0,1]=4 18558 B11R1.30 CCCC(=O)C=C1CCCC1 1458a_100000743260_100000210303 [0,1,0,1,0,0|0,0,2]=4 18559 B11R1.30 CCCC(=O)CC1=CCCC1 1458a_100000050221_100000210303 [0,1,0,1,0,0|0,0,2]=4 18560 B11R1.30 CCCC(=O)CC1C=CCC1 1458a_100000212241_100000210303 [0,1,0,1,0,0|0,0,2]=4 18561 B11R1.30 CCCC(=O)CC1CC=CC1 1458a_200000137526_100000210303 [0,1,0,1,0,0|0,0,2]=4 18562 B11R1.30 CCCC(=O)CC1CCCC1 1458a_100000210891_100000210303 [0,1,0,1,0,0|0,0,0]=2 18563 B11R1.30 CCCC(=O)CC1CCCC1 1458a_100000211992_100000740388 [0,1,0,1,0,0|0,0,0]=2 18564 B11R1.30 CCCC(=O)CC1CCCO1 1458a_100000211992_100000203698 [0,1,0,1,0,0|1,0,0]=3 18565 B11R1.30 CCCC(=O)CC1CCOC1 1458a_100000211992_100000702531 [0,1,0,1,0,0|1,0,0]=3 18566 B11R1.30 CCCC(=O)CC1CCOC1 1458a_100011218419_100000210303 [0,1,0,1,0,0|1,0,0]=3 18567 B11R1.30 CCCC(=O)CC1OCCO1 1458a_100000211992_100000755774 [0,1,0,1,0,0|2,0,0]=4 18568 B11R1.30 CCCC(=O)CN1CCCC1 1458a_100000740243_100000210303 [0,1,0,1,0,0|1,0,0]=3 18569 B11R1.30 CCCC(=O)CN1CCCC1 2230a_100000188435_100000747444 [0,1,0,1,0,0|1,0,0]=3 18570 B11R1.30 CCCC(=O)CN1CCCC1 269982a_100000188435_100000747444 [0,1,0,1,0,0|1,0,0]=3 18571 B11R1.30 CCCC(=O)CN1CCSC1 2230a_100011215254_100000747444 [0,1,0,1,0,0|2,0,0]=4 18572 B11R1.30 CCCC(=O)CN1CCSC1 269982a_100011215254_100000747444 [0,1,0,1,0,0|2,0,0]=4 18573 B11R1.30 CCCC(=O)NC1CCCC1 11a_100000211070_100000211992 [0,1,0,1,0,0|1,0,0]=3 18574 B11R1.30 CCCC(=O)NC1CCCC1 1626a_100000211070_100000211992 [0,1,0,1,0,0|1,0,0]=3 18575 B11R1.30 CCCC(=O)NC1CCCC1 240690a_100000211070_100000211992 [0,1,0,1,0,0|1,0,0]=3 18576 B11R1.30 CCCC(=O)NC1CCCC1 527a_100000211070_100000211992 [0,1,0,1,0,0|1,0,0]=3 18577 B11R1.30 CCCC(=O)N[C@@H]1CCOC1 240690a_200015188469_100000211992 [0,1,0,1,0,0|2,0,0]=4 18578 B11R1.30 CCCC(=O)N[C@@H]1CCOC1 527a_200015188469_100000211992 [0,1,0,1,0,0|2,0,0]=4 18579 B11R1.30 CCCC(=O)N[C@H]1CCOC1 11a_100015188467_100000211992 [0,1,0,1,0,0|2,0,0]=4 18580 B11R1.30 CCCC(=O)N[C@H]1CCOC1 1626a_100015188467_100000211992 [0,1,0,1,0,0|2,0,0]=4 18581 B11R1.30 CCCC(=O)N[C@H]1CCOC1 240690a_100015188467_100000211992 [0,1,0,1,0,0|2,0,0]=4 18582 B11R1.30 CCCC(=O)N[C@H]1CCOC1 527a_100015188467_100000211992 [0,1,0,1,0,0|2,0,0]=4 18583 B11R1.30 CCCN(C)CC1CCCC1 2230a_100000747261_100000740388 [0,1,0,1,0,0|2,0,0]=4 18584 B11R1.30 CCCN(C)CC1CCCC1 269982a_100000747261_100000740388 [0,1,0,1,0,0|2,0,0]=4 18585 B11R1.30 CCNC(=O)C=C1CCCC1 11a_100015525214_100000743260 [0,1,0,1,0,0|0,0,2]=4 18586 B11R1.30 CCNC(=O)C=C1CCCC1 240690a_100015525214_100000743260 [0,1,0,1,0,0|0,0,2]=4 18587 B11R1.30 CCNC(=O)C=C1CCCC1 527a_100015525214_100000743260 [0,1,0,1,0,0|0,0,2]=4 18588 B11R1.30 CCNC(=O)CC1=CCCC1 11a_100015525214_100000050221 [0,1,0,1,0,0|0,0,2]=4 18589 B11R1.30 CCNC(=O)CC1=CCCC1 240690a_100015525214_100000050221 [0,1,0,1,0,0|0,0,2]=4 18590 B11R1.30 CCNC(=O)CC1=CCCC1 527a_100015525214_100000050221 [0,1,0,1,0,0|0,0,2]=4 18591 B11R1.30 CCNC(=O)CC1C=CCC1 11a_100015525214_100000212241 [0,1,0,1,0,0|0,0,2]=4 18592 B11R1.30 CCNC(=O)CC1C=CCC1 240690a_100015525214_100000212241 [0,1,0,1,0,0|0,0,2]=4 18593 B11R1.30 CCNC(=O)CC1C=CCC1 527a_100015525214_100000212241 [0,1,0,1,0,0|0,0,2]=4 18594 B11R1.30 CCNC(=O)CC1CC=CC1 11a_100015525214_200000137526 [0,1,0,1,0,0|0,0,2]=4 18595 B11R1.30 CCNC(=O)CC1CC=CC1 240690a_100015525214_200000137526 [0,1,0,1,0,0|0,0,2]=4 18596 B11R1.30 CCNC(=O)CC1CC=CC1 527a_100015525214_200000137526 [0,1,0,1,0,0|0,0,2]=4 18597 B11R1.30 CCNC(=O)CC1CCCC1 11a_100015525214_100000210891 [0,1,0,1,0,0|0,0,0]=2 18598 B11R1.30 CCNC(=O)CC1CCCC1 240690a_100015525214_100000210891 [0,1,0,1,0,0|0,0,0]=2 18599 B11R1.30 CCNC(=O)CC1CCCC1 527a_100015525214_100000210891 [0,1,0,1,0,0|0,0,0]=2 18600 B11R1.30 CCNC(=O)CC1CCOC1 11a_100015525214_100011218419 [0,1,0,1,0,0|1,0,0]=3 18601 B11R1.30 CCNC(=O)CC1CCOC1 240690a_100015525214_100011218419 [0,1,0,1,0,0|1,0,0]=3 18602 B11R1.30 CCNC(=O)CC1CCOC1 527a_100015525214_100011218419 [0,1,0,1,0,0|1,0,0]=3 18603 B11R1.30 CCNC(=O)CN1CCCC1 2230a_100000188435_100000183381 [0,1,0,1,0,0|1,0,0]=3 18604 B11R1.30 CCNC(=O)CN1CCCC1 240690a_100015525214_100000740243 [0,1,0,1,0,0|1,0,0]=3 18605 B11R1.30 CCNC(=O)CN1CCCC1 269982a_100000188435_100000183381 [0,1,0,1,0,0|1,0,0]=3 18606 B11R1.30 CCNC(=O)CN1CCCC1 527a_100015525214_100000740243 [0,1,0,1,0,0|1,0,0]=3 18607 B11R1.30 CCNC(=O)CN1CCSC1 2230a_100011215254_100000183381 [0,1,0,1,0,0|2,0,0]=4 18608 B11R1.30 CCNC(=O)CN1CCSC1 269982a_100011215254_100000183381 [0,1,0,1,0,0|2,0,0]=4 18609 B11R1.30 CCNC(=O)NC1CCCC1 2708a_100000211070_100015525214 [0,1,0,1,0,0|1,0,0]=3 18610 B11R1.30 CCNC(=O)NC1CCCC1 2708a_100015525214_100000211070 [0,1,0,1,0,0|1,0,0]=3 18611 B11R1.30 CCNC(=O)NC1CCCC1 273464a_100000211070_100015525214 [0,1,0,1,0,0|1,0,0]=3 18612 B11R1.30 CCNC(=O)NC1CCCC1 273464a_100015525214_100000211070 [0,1,0,1,0,0|1,0,0]=3 18613 B11R1.30 CCNC(=O)NC1CCCC1 512a_100000211070_100015525214 [0,1,0,1,0,0|1,0,0]=3 18614 B11R1.30 CCNC(=O)NC1CCCC1 512a_100015525214_100000211070 [0,1,0,1,0,0|1,0,0]=3 18615 B11R1.30 CCNC(=O)N[C@@H]1CCOC1 2708a_100015525214_200015188469 [0,1,0,1,0,0|2,0,0]=4 18616 B11R1.30 CCNC(=O)N[C@@H]1CCOC1 2708a_200015188469_100015525214 [0,1,0,1,0,0|2,0,0]=4 18617 B11R1.30 CCNC(=O)N[C@@H]1CCOC1 273464a_100015525214_200015188469 [0,1,0,1,0,0|2,0,0]=4 18618 B11R1.30 CCNC(=O)N[C@@H]1CCOC1 273464a_200015188469_100015525214 [0,1,0,1,0,0|2,0,0]=4 18619 B11R1.30 CCNC(=O)N[C@@H]1CCOC1 512a_100015525214_200015188469 [0,1,0,1,0,0|2,0,0]=4 18620 B11R1.30 CCNC(=O)N[C@H]1CCOC1 2708a_100015188467_100015525214 [0,1,0,1,0,0|2,0,0]=4 18621 B11R1.30 CCNC(=O)N[C@H]1CCOC1 2708a_100015525214_100015188467 [0,1,0,1,0,0|2,0,0]=4 18622 B11R1.30 CCNC(=O)N[C@H]1CCOC1 273464a_100015188467_100015525214 [0,1,0,1,0,0|2,0,0]=4 18623 B11R1.30 CCNC(=O)N[C@H]1CCOC1 273464a_100015525214_100015188467 [0,1,0,1,0,0|2,0,0]=4 18624 B11R1.30 CCNC(=O)N[C@H]1CCOC1 512a_100015188467_100015525214 [0,1,0,1,0,0|2,0,0]=4 18625 B11R1.30 CCNC(=O)N[C@H]1CCOC1 512a_100015525214_100015188467 [0,1,0,1,0,0|2,0,0]=4 18626 B11R1.30 CCNC(C)CC1CCCC1 270004a_100015525214_100000692464 [0,1,0,1,0,0|1,0,1]=4 18627 B11R1.30 CCOC(=O)CN1CCCC1 2230a_100000188435_100000188475 [0,1,0,1,0,0|1,0,0]=3 18628 B11R1.30 CCOC(=O)CN1CCCC1 269982a_100000188435_100000188475 [0,1,0,1,0,0|1,0,0]=3 18629 B11R1.30 CCOC(=O)CN1CCSC1 2230a_100011215254_100000188475 [0,1,0,1,0,0|2,0,0]=4 18630 B11R1.30 CCOC(=O)CN1CCSC1 269982a_100011215254_100000188475 [0,1,0,1,0,0|2,0,0]=4 18631 B11R1.30 CN(CCO)CC1CCCC1 2230a_100000210263_100000740388 [0,1,0,1,0,0|2,0,0]=4 18632 B11R1.30 CN(CCO)CC1CCCC1 269982a_100000210263_100000740388 [0,1,0,1,0,0|2,0,0]=4 18633 B11R1.30 CNCC(=O)NC1CCCC1 2230a_100000747513_200000210301 [0,1,0,1,0,0|1,0,0]=3 18634 B11R1.30 CNCC(=O)NC1CCCC1 2230a_106832991635_100000183512 [0,1,0,1,0,0|1,0,0]=3 18635 B11R1.30 CNCC(=O)NC1CCCC1 34a_100102657272_100000183512 [0,1,0,1,0,0|1,0,0]=3 18636 B11R1.30 CNCC(=O)NC1CCCC1 7a_106832991635_100000183512 [0,1,0,1,0,0|1,0,0]=3 18637 B11R1.30 CNNC(=O)CC1CCCC1 22a_100016993582_100000210891 [0,1,0,1,0,0|1,0,0]=3 18638 B11R1.30 CNNC(=O)CC1CCOC1 22a_100016993582_100011218419 [0,1,0,1,0,0|2,0,0]=4 18639 B11R1.30 CNNC(=O)CN1CCCC1 22a_100016993582_100000740243 [0,1,0,1,0,0|2,0,0]=4 18640 B11R1.30 CNNC(=O)NC1CCCC1 273464a_100000211070_100016993582 [0,1,0,1,0,0|2,0,0]=4 18641 B11R1.30 CNNC(=O)NC1CCCC1 512a_100000211070_100016993582 [0,1,0,1,0,0|2,0,0]=4 18642 B11R1.30 CNNC(=O)NC1CCCC1 512a_100016993582_100000211070 [0,1,0,1,0,0|2,0,0]=4 18643 B11R1.30 COCC(=O)CC1CCCC1 1458a_100000210968_100000740388 [0,1,0,1,0,0|0,0,0]=2 18644 B11R1.30 COCC(=O)CC1CCCO1 1458a_100000210968_100000203698 [0,1,0,1,0,0|1,0,0]=3 18645 B11R1.30 COCC(=O)CC1CCOC1 1458a_100000210968_100000702531 [0,1,0,1,0,0|1,0,0]=3 18646 B11R1.30 COCC(=O)CC1OCCO1 1458a_100000210968_100000755774 [0,1,0,1,0,0|2,0,0]=4 18647 B11R1.30 COCC(=O)NC1CCCC1 11a_100000211070_100000210968 [0,1,0,1,0,0|1,0,0]=3 18648 B11R1.30 COCC(=O)NC1CCCC1 1626a_100000211070_100000210968 [0,1,0,1,0,0|1,0,0]=3 18649 B11R1.30 COCC(=O)NC1CCCC1 240690a_100000211070_100000210968 [0,1,0,1,0,0|1,0,0]=3 18650 B11R1.30 COCC(=O)NC1CCCC1 34a_100138415774_100000183512 [0,1,0,1,0,0|1,0,0]=3 18651 B11R1.30 COCC(=O)NC1CCCC1 527a_100000211070_100000210968 [0,1,0,1,0,0|1,0,0]=3 18652 B11R1.30 COCC(=O)N[C@@H]1CCOC1 240690a_200015188469_100000210968 [0,1,0,1,0,0|2,0,0]=4 18653 B11R1.30 COCC(=O)N[C@@H]1CCOC1 527a_200015188469_100000210968 [0,1,0,1,0,0|2,0,0]=4 18654 B11R1.30 COCC(=O)N[C@H]1CCOC1 11a_100015188467_100000210968 [0,1,0,1,0,0|2,0,0]=4 18655 B11R1.30 COCC(=O)N[C@H]1CCOC1 1626a_100015188467_100000210968 [0,1,0,1,0,0|2,0,0]=4 18656 B11R1.30 COCC(=O)N[C@H]1CCOC1 240690a_100015188467_100000210968 [0,1,0,1,0,0|2,0,0]=4 18657 B11R1.30 COCC(=O)N[C@H]1CCOC1 527a_100015188467_100000210968 [0,1,0,1,0,0|2,0,0]=4 18658 B11R1.30 CSCC(=O)CC1CCCC1 1458a_100000184570_100000740388 [0,1,0,1,0,0|0,0,0]=2 18659 B11R1.30 CSCC(=O)CC1CCCO1 1458a_100000184570_100000203698 [0,1,0,1,0,0|1,0,0]=3 18660 B11R1.30 CSCC(=O)CC1CCOC1 1458a_100000184570_100000702531 [0,1,0,1,0,0|1,0,0]=3 18661 B11R1.30 CSCC(=O)CC1OCCO1 1458a_100000184570_100000755774 [0,1,0,1,0,0|2,0,0]=4 18662 B11R1.30 CSCC(=O)NC1CCCC1 11a_100000211070_100000184570 [0,1,0,1,0,0|1,0,0]=3 18663 B11R1.30 CSCC(=O)NC1CCCC1 1626a_100000211070_100000184570 [0,1,0,1,0,0|1,0,0]=3 18664 B11R1.30 CSCC(=O)NC1CCCC1 240690a_100000211070_100000184570 [0,1,0,1,0,0|1,0,0]=3 18665 B11R1.30 CSCC(=O)NC1CCCC1 527a_100000211070_100000184570 [0,1,0,1,0,0|1,0,0]=3 18666 B11R1.30 CSCC(=O)NC1CCCC1 62a_100000183512_200000210301 [0,1,0,1,0,0|1,0,0]=3 18667 B11R1.30 CSCC(=O)NC1CCCC1 62a_200000210301_100000183512 [0,1,0,1,0,0|1,0,0]=3 18668 B11R1.30 CSCC(=O)N[C@@H]1CCOC1 240690a_200015188469_100000184570 [0,1,0,1,0,0|2,0,0]=4 18669 B11R1.30 CSCC(=O)N[C@@H]1CCOC1 527a_200015188469_100000184570 [0,1,0,1,0,0|2,0,0]=4 18670 B11R1.30 CSCC(=O)N[C@H]1CCOC1 11a_100015188467_100000184570 [0,1,0,1,0,0|2,0,0]=4 18671 B11R1.30 CSCC(=O)N[C@H]1CCOC1 1626a_100015188467_100000184570 [0,1,0,1,0,0|2,0,0]=4 18672 B11R1.30 CSCC(=O)N[C@H]1CCOC1 240690a_100015188467_100000184570 [0,1,0,1,0,0|2,0,0]=4 18673 B11R1.30 CSCC(=O)N[C@H]1CCOC1 527a_100015188467_100000184570 [0,1,0,1,0,0|2,0,0]=4 18674 B11R1.30 N#CCC(=O)CC1CCCC1 1458a_100000210891_100011214920 [0,1,0,1,0,0|0,0,1]=3 18675 B11R1.30 N#CCC(=O)CC1CCCC1 1458a_100051588842_100000740388 [0,1,0,1,0,0|0,0,1]=3 18676 B11R1.30 N#CCC(=O)CC1CCCO1 1458a_100051588842_100000203698 [0,1,0,1,0,0|1,0,1]=4 18677 B11R1.30 N#CCC(=O)CC1CCOC1 1458a_100011218419_100011214920 [0,1,0,1,0,0|1,0,1]=4 18678 B11R1.30 N#CCC(=O)CC1CCOC1 1458a_100051588842_100000702531 [0,1,0,1,0,0|1,0,1]=4 18679 B11R1.30 N#CCC(=O)CN1CCCC1 1458a_100000740243_100011214920 [0,1,0,1,0,0|1,0,1]=4 18680 B11R1.30 N#CCC(=O)NC1CCCC1 1626a_100000211070_100051588842 [0,1,0,1,0,0|1,0,1]=4 18681 B11R1.30 N#CCC(=O)NC1CCCC1 240690a_100000211070_100051588842 [0,1,0,1,0,0|1,0,1]=4 18682 B11R1.30 O=C(C=C1CCCC1)CCF 1458a_100000743260_100011217306 [0,1,0,1,0,0|0,0,2]=4 18683 B11R1.30 O=C(C=C1CCCC1)CCO 1458a_100000743260_100000211926 [0,1,0,1,0,0|0,0,2]=4 18684 B11R1.30 O=C(C=CBr)CC1CCCC1 1458a_100016273825_100000740388 [0,1,0,1,0,0|0,0,2]=4 18685 B11R1.30 O=C(C=CCl)CC1CCCC1 1458a_200016279998_100000740388 [0,1,0,1,0,0|0,0,2]=4 18686 B11R1.30 O=C(C=CI)CC1CCCC1 1458a_100016256311_100000740388 [0,1,0,1,0,0|0,0,2]=4 18687 B11R1.30 O=C(CCF)CC1=CCCC1 1458a_100000050221_100011217306 [0,1,0,1,0,0|0,0,2]=4 18688 B11R1.30 O=C(CCF)CC1C=CCC1 1458a_100000212241_100011217306 [0,1,0,1,0,0|0,0,2]=4 18689 B11R1.30 O=C(CCF)CC1CC=CC1 1458a_200000137526_100011217306 [0,1,0,1,0,0|0,0,2]=4 18690 B11R1.30 O=C(CCF)CC1CCCC1 1458a_100000210891_100011217306 [0,1,0,1,0,0|0,0,0]=2 18691 B11R1.30 O=C(CCF)CC1CCOC1 1458a_100011218419_100011217306 [0,1,0,1,0,0|1,0,0]=3 18692 B11R1.30 O=C(CCF)CN1CCCC1 1458a_100000740243_100011217306 [0,1,0,1,0,0|1,0,0]=3 18693 B11R1.30 O=C(CCO)CC1=CCCC1 1458a_100000050221_100000211926 [0,1,0,1,0,0|0,0,2]=4 18694 B11R1.30 O=C(CCO)CC1C=CCC1 1458a_100000212241_100000211926 [0,1,0,1,0,0|0,0,2]=4 18695 B11R1.30 O=C(CCO)CC1CC=CC1 1458a_200000137526_100000211926 [0,1,0,1,0,0|0,0,2]=4 18696 B11R1.30 O=C(CCO)CC1CCCC1 1458a_100000210891_100000211926 [0,1,0,1,0,0|0,0,0]=2 18697 B11R1.30 O=C(CCO)CC1CCCC1 1458a_100011216618_100000740388 [0,1,0,1,0,0|0,0,0]=2 18698 B11R1.30 O=C(CCO)CC1CCCO1 1458a_100011216618_100000203698 [0,1,0,1,0,0|1,0,0]=3 18699 B11R1.30 O=C(CCO)CC1CCOC1 1458a_100011216618_100000702531 [0,1,0,1,0,0|1,0,0]=3 18700 B11R1.30 O=C(CCO)CC1CCOC1 1458a_100011218419_100000211926 [0,1,0,1,0,0|1,0,0]=3 18701 B11R1.30 O=C(CCO)CC1OCCO1 1458a_100011216618_100000755774 [0,1,0,1,0,0|2,0,0]=4 18702 B11R1.30 O=C(CCO)CN1CCCC1 1458a_100000740243_100000211926 [0,1,0,1,0,0|1,0,0]=3 18703 B11R1.30 O=C(CCO)NC1CCCC1 240690a_100000211070_100011216618 [0,1,0,1,0,0|1,0,0]=3 18704 B11R1.30 O=C(CCO)N[C@@H]1CCOC1 240690a_200015188469_100011216618 [0,1,0,1,0,0|2,0,0]=4 18705 B11R1.30 O=C(CCO)N[C@H]1CCOC1 240690a_100015188467_100011216618 [0,1,0,1,0,0|2,0,0]=4 18706 B11R1.30 O=C(CN1CCCC1)NCO 2230a_100000188435_100000185155 [0,1,0,1,0,0|2,0,0]=4 18707 B11R1.30 O=C(CN1CCCC1)NCO 269982a_100000188435_100000185155 [0,1,0,1,0,0|2,0,0]=4 18708 B11R1.30 [13CH3]NCC(=O)NC1CCCC1 2230a_100000747513_200025704644 [0,1,0,1,0,0|1,0,0]=3 18709 B11R1.30 [13CH3]SCC(=O)NC1CCCC1 62a_100000183512_200025704644 [0,1,0,1,0,0|1,0,0]=3 18710 B11R1.30 [13CH3]SCC(=O)NC1CCCC1 62a_200025704644_100000183512 [0,1,0,1,0,0|1,0,0]=3 18711 B11R1.78 CCCCCCN1CC(C1)C 2230a_100000702820_100000210314 [0,1,0,1,0,0|2,0,0]=4 18712 B11R1.78 CCCCCCN1CC(C1)C 269982a_100000702820_100000210757 [0,1,0,1,0,0|2,0,0]=4 18713 B11R1.78 CCCCCCN1CC(C1)C 34a_100000702820_100000210314 [0,1,0,1,0,0|2,0,0]=4 18714 B11R1.78 CCCCCCN1CC(C1)F 2230a_100000690557_100000210314 [0,1,0,1,0,0|2,0,0]=4 18715 B11R1.78 CCCCCCN1CC(C1)F 269982a_100000690557_100000210757 [0,1,0,1,0,0|2,0,0]=4 18716 B11R1.78 CCCCCCN1CC(C1)F 34a_100000690557_100000210314 [0,1,0,1,0,0|2,0,0]=4 18717 B11R1.78 CCCCCCN1CC(C1)O 269982a_100000749847_100000210757 [0,1,0,1,0,0|2,0,0]=4 18718 B11R1.81 CNCC1CCC(=CC1C)C 269862a_106832991636_100000075207 [0,1,0,1,0,0|2,0,0]=4 18719 B11R1.117 CCCN1CCCCCCC1 2230a_100000211400_100000210303 [0,1,0,1,0,0|2,0,0]=4 18720 B11R1.117 CCCN1CCCCCCC1 269982a_100000211400_100000210303 [0,1,0,1,0,0|2,0,0]=4 18721 B11R1.117 CCCN1CCCCCCC1 34a_100000211400_100000210303 [0,1,0,1,0,0|2,0,0]=4 18722 B11R1.117 CCNC1CCCCCCC1 2230a_100000211152_100000210202 [0,1,0,1,0,0|1,0,1]=4 18723 B11R1.117 CCNC1CCCCCCC1 270004a_100015525214_100000210524 [0,1,0,1,0,0|1,0,1]=4 18724 B11R1.117 CCNC1CCCCCCC1 34a_100000211152_100000210202 [0,1,0,1,0,0|1,0,1]=4 18725 B11R1.117 CCOC1CCCCCCC1 34a_100000210054_100000210202 [0,1,0,1,0,0|1,0,1]=4 18726 B11R1.117 CCOC1CCCCCCC1 7a_100000210054_100000210202 [0,1,0,1,0,0|1,0,1]=4 18727 B11R1.117 COCC1CCCCCCC1 34a_100011216312_200000210301 [0,1,0,1,0,0|1,0,1]=4 18728 B11R1.117 COCC1CCCCCCC1 7a_100011216312_200000210301 [0,1,0,1,0,0|1,0,1]=4 18729 B11R1.117 COCN1CCCCCCC1 2230a_100000211400_100000766300 [0,1,0,1,0,0|2,0,0]=4 18730 B11R1.117 COCN1CCCCCCC1 269982a_100000211400_100000766300 [0,1,0,1,0,0|2,0,0]=4 18731 B11R1.117 CSCN1CCCCCCC1 2230a_100000211400_100011218213 [0,1,0,1,0,0|2,0,0]=4 18732 B11R1.117 CSCN1CCCCCCC1 269982a_100000211400_100011218213 [0,1,0,1,0,0|2,0,0]=4 18733 B11R1.117 CSCN1CCCCCCC1 34a_100000211400_100011218213 [0,1,0,1,0,0|2,0,0]=4 18734 B11R1.117 FCCN1CCCCCCC1 2230a_100000211400_100011217306 [0,1,0,1,0,0|2,0,0]=4 18735 B11R1.117 FCCN1CCCCCCC1 269982a_100000211400_100011217306 [0,1,0,1,0,0|2,0,0]=4 18736 B11R1.117 FCCN1CCCCCCC1 34a_100000211400_100011217306 [0,1,0,1,0,0|2,0,0]=4 18737 B11R1.117 OCCN1CCCCCCC1 2230a_100000211400_100000211926 [0,1,0,1,0,0|2,0,0]=4 18738 B11R1.117 OCCN1CCCCCCC1 269982a_100000211400_100000211926 [0,1,0,1,0,0|2,0,0]=4 18739 B11R1.117 OCCN1CCCCCCC1 34a_100000211400_100000211926 [0,1,0,1,0,0|2,0,0]=4 18740 B11R1.117 [13CH3]OCC1CCCCCCC1 34a_100011216312_200025704644 [0,1,0,1,0,0|1,0,1]=4 18741 B11R1.117 [13CH3]OCC1CCCCCCC1 7a_100011216312_200025704644 [0,1,0,1,0,0|1,0,1]=4 18742 B11R1.127 CCCC1CCC(C1)NCC 270004a_100015525214_200012087856 [0,1,0,1,0,0|1,0,1]=4 18743 B11R1.135 CCCN1CCCC(CC1)C 2230a_100025706717_100000210303 [0,1,0,1,0,0|1,0,1]=4 18744 B11R1.135 CCCN1CCCC(CC1)C 269982a_100025706717_100000210303 [0,1,0,1,0,0|1,0,1]=4 18745 B11R1.135 CCCN1CCCC(CC1)C 34a_100025706717_100000210303 [0,1,0,1,0,0|1,0,1]=4 18746 B11R1.135 CCCN1CCCC(CC1)O 2230a_100015186869_100000210303 [0,1,0,1,0,0|0,0,2]=4 18747 B11R1.135 CCCN1CCCC(CC1)O 269982a_100015186869_100000210303 [0,1,0,1,0,0|0,0,2]=4 18748 B11R1.135 CCCN1CCCN(CC1)C 2230a_100000211313_100000210303 [0,1,0,1,0,0|2,0,0]=4 18749 B11R1.135 CCCN1CCCN(CC1)C 2230a_100000748530_200000210301 [0,1,0,1,0,0|2,0,0]=4 18750 B11R1.135 CCCN1CCCN(CC1)C 269982a_100000211313_100000210303 [0,1,0,1,0,0|2,0,0]=4 18751 B11R1.135 CCCN1CCCN(CC1)C 269982a_100000748530_200000210301 [0,1,0,1,0,0|2,0,0]=4 18752 B11R1.135 CCCN1CCCN(CC1)[13CH3] 2230a_100000748530_200025704644 [0,1,0,1,0,0|2,0,0]=4 18753 B11R1.135 CCCN1CCCN(CC1)[13CH3] 269982a_100000748530_200025704644 [0,1,0,1,0,0|2,0,0]=4 18754 B11R1.135 CCCN1CCNC(=O)CC1 2230a_100000698595_100000210303 [0,1,0,1,0,0|1,0,0]=3 18755 B11R1.135 CCCN1CCNC(=O)CC1 269982a_100000698595_100000210303 [0,1,0,1,0,0|1,0,0]=3 18756 B11R1.135 COCN1CCNC(=O)CC1 2230a_100000698595_100000766300 [0,1,0,1,0,0|2,0,0]=4 18757 B11R1.135 COCN1CCNC(=O)CC1 269982a_100000698595_100000766300 [0,1,0,1,0,0|2,0,0]=4 18758 B11R1.135 CSCN1CCNC(=O)CC1 2230a_100000698595_100011218213 [0,1,0,1,0,0|2,0,0]=4 18759 B11R1.135 CSCN1CCNC(=O)CC1 269982a_100000698595_100011218213 [0,1,0,1,0,0|2,0,0]=4 18760 B11R1.135 O=C1CCN(CCN1)CCF 2230a_100000698595_100011217306 [0,1,0,1,0,0|2,0,0]=4 18761 B11R1.135 O=C1CCN(CCN1)CCF 269982a_100000698595_100011217306 [0,1,0,1,0,0|2,0,0]=4 18762 B11R1.135 O=C1CCN(CCN1)CCO 2230a_100000698595_100000211926 [0,1,0,1,0,0|2,0,0]=4 18763 B11R1.135 O=C1CCN(CCN1)CCO 269982a_100000698595_100000211926 [0,1,0,1,0,0|2,0,0]=4 18764 B11R1.180 CCCCNC1CCCC1=O 2230a_100000102301_100000211823 [0,1,0,1,0,0|1,0,0]=3 18765 B11R1.180 CCCCNC1CCCC1=O 7a_106832991798_100000211823 [0,1,0,1,0,0|1,0,0]=3 18766 B11R1.180 CCCCNC1CCNC1=O 2230a_100016995588_100000210211 [0,1,0,1,0,0|1,0,0]=3 18767 B11R1.180 CCCCNC1CCNC1=O 34a_100016995588_100000210210 [0,1,0,1,0,0|1,0,0]=3 18768 B11R1.180 CCCCNC1CCOC1=O 2230a_100000102301_100000211211 [0,1,0,1,0,0|1,0,0]=3 18769 B11R1.180 CCCCNC1CCOC1=O 7a_106832991798_100000211211 [0,1,0,1,0,0|1,0,0]=3 18770 B11R1.180 CCCCN[C@@H]1CONC1=O 2230a_100000765999_100000210211 [0,1,0,1,0,0|2,0,0]=4 18771 B11R1.180 CCCCN[C@@H]1CONC1=O 34a_100000765999_100000210210 [0,1,0,1,0,0|2,0,0]=4 18772 B11R1.180 CCCCOC1CCCC1=O 34a_100000210227_100000709159 [0,1,0,1,0,0|1,0,0]=3 18773 B11R1.180 CCCCOC1CCCC1=O 34a_200000719330_100000210210 [0,1,0,1,0,0|1,0,0]=3 18774 B11R1.180 CCCCOC1CCCC1=O 7a_100000210227_100000211823 [0,1,0,1,0,0|1,0,0]=3 18775 B11R1.180 CCCCOC1CCOC1=O 34a_100000210227_100000211211 [0,1,0,1,0,0|1,0,0]=3 18776 B11R1.180 CCCCOC1CCOC1=O 7a_100000210227_100000211211 [0,1,0,1,0,0|1,0,0]=3 18777 B11R1.180 CCCCO[C@H]1CCNC1=O 34a_100000688343_100000210210 [0,1,0,1,0,0|1,0,0]=3 18778 B11R1.180 CCCCSC1CCCC1=O 62a_100000210211_100000211823 [0,1,0,1,0,0|1,0,0]=3 18779 B11R1.180 CCCCSC1CCCC1=O 62a_100000211823_100000210210 [0,1,0,1,0,0|1,0,0]=3 18780 B11R1.180 CCCCSC1CCOC1=O 62a_100000210211_100000211211 [0,1,0,1,0,0|1,0,0]=3 18781 B11R1.180 CCCCSC1CCOC1=O 62a_100000211211_100000210210 [0,1,0,1,0,0|1,0,0]=3 18782 B11R1.180 CCCOCC1=CCCC1=O 34a_100000087531_100000210303 [0,1,0,1,0,0|1,0,1]=4 18783 B11R1.180 CCCOCC1CCNC1=O 34a_100000133458_100000210303 [0,1,0,1,0,0|1,0,0]=3 18784 B11R1.180 CCCSCN1CCCC1=O 62a_100000026320_100000210303 [0,1,0,1,0,0|2,0,0]=4 18785 B11R1.180 CCCSCN1CCCC1=O 62a_100000210303_100000026320 [0,1,0,1,0,0|2,0,0]=4 18786 B11R1.180 CCNCCN1CCCC1=O 2230a_100011200922_100000210202 [0,1,0,1,0,0|2,0,0]=4 18787 B11R1.180 CCNCCN1CCCC1=O 2230a_100015525214_100000739059 [0,1,0,1,0,0|2,0,0]=4 18788 B11R1.180 CCNCCN1CCNC1=O 2230a_100011207550_100000210202 [0,1,0,1,0,0|2,0,0]=4 18789 B11R1.180 CCNCCN1CCNC1=O 2230a_100015525214_100000090651 [0,1,0,1,0,0|2,0,0]=4 18790 B11R1.180 CCOCCN1CCCC1=O 34a_100000211209_100000210202 [0,1,0,1,0,0|2,0,0]=4 18791 B11R1.180 CCOCCN1CCCC1=O 34a_100121572206_100000739059 [0,1,0,1,0,0|2,0,0]=4 18792 B11R1.180 CCOCCN1CCCC1=O 7a_100000211209_100000210202 [0,1,0,1,0,0|2,0,0]=4 18793 B11R1.180 CCOCCN1CCNC1=O 34a_100000216532_100000210202 [0,1,0,1,0,0|2,0,0]=4 18794 B11R1.180 CCOCSC1CCCC1=O 62a_100000211823_100000739092 [0,1,0,1,0,0|2,0,0]=4 18795 B11R1.180 CCOCSC1CCCC1=O 62a_100000739092_100000211823 [0,1,0,1,0,0|2,0,0]=4 18796 B11R1.180 CCOCSC1CCOC1=O 62a_100000211211_100000739092 [0,1,0,1,0,0|2,0,0]=4 18797 B11R1.180 CCOCSC1CCOC1=O 62a_100000739092_100000211211 [0,1,0,1,0,0|2,0,0]=4 18798 B11R1.180 CCSCCN1CCCC1=O 62a_100000210202_100000739059 [0,1,0,1,0,0|2,0,0]=4 18799 B11R1.180 CCSCCN1CCCC1=O 62a_100000739059_100000210202 [0,1,0,1,0,0|2,0,0]=4 18800 B11R1.180 CCSCCN1CCNC1=O 62a_100000090651_100000210202 [0,1,0,1,0,0|2,0,0]=4 18801 B11R1.180 CCSCCN1CCNC1=O 62a_100000210202_100000090651 [0,1,0,1,0,0|2,0,0]=4 18802 B11R1.180 CNCCCN1CCCC1=O 2230a_100000210347_200000210301 [0,1,0,1,0,0|2,0,0]=4 18803 B11R1.180 CNCCCN1CCCC1=O 34a_100000210347_200000210301 [0,1,0,1,0,0|2,0,0]=4 18804 B11R1.180 COCCCN1CCCC1=O 34a_100011216539_200000210301 [0,1,0,1,0,0|2,0,0]=4 18805 B11R1.180 COCCCN1CCCC1=O 7a_100011216539_200000210301 [0,1,0,1,0,0|2,0,0]=4 18806 B11R1.180 COCCNC1CCCC1=O 2230a_100000209980_100000211823 [0,1,0,1,0,0|2,0,0]=4 18807 B11R1.180 COCCNC1CCNC1=O 2230a_100016995588_100011201679 [0,1,0,1,0,0|2,0,0]=4 18808 B11R1.180 COCCNC1CCNC1=O 34a_100016995588_100011201679 [0,1,0,1,0,0|2,0,0]=4 18809 B11R1.180 COCCNC1CCOC1=O 2230a_100000209980_100000211211 [0,1,0,1,0,0|2,0,0]=4 18810 B11R1.180 COCCOC1CCCC1=O 34a_100000210237_100000709159 [0,1,0,1,0,0|2,0,0]=4 18811 B11R1.180 COCCOC1CCCC1=O 34a_200000719330_100011201679 [0,1,0,1,0,0|2,0,0]=4 18812 B11R1.180 COCCOC1CCOC1=O 34a_100000210237_100000211211 [0,1,0,1,0,0|2,0,0]=4 18813 B11R1.180 COCCO[C@H]1CCNC1=O 34a_100000688343_100011201679 [0,1,0,1,0,0|2,0,0]=4 18814 B11R1.180 COCCSC1CCCC1=O 62a_100000211823_100000233755 [0,1,0,1,0,0|2,0,0]=4 18815 B11R1.180 COCCSC1CCCC1=O 62a_100000233755_100000211823 [0,1,0,1,0,0|2,0,0]=4 18816 B11R1.180 COCCSC1CCOC1=O 62a_100000211211_100000233755 [0,1,0,1,0,0|2,0,0]=4 18817 B11R1.180 COCCSC1CCOC1=O 62a_100000233755_100000211211 [0,1,0,1,0,0|2,0,0]=4 18818 B11R1.180 CSCCNC1CCCC1=O 2230a_100020590264_100000211823 [0,1,0,1,0,0|2,0,0]=4 18819 B11R1.180 CSCCNC1CCNC1=O 2230a_100016995588_100000751147 [0,1,0,1,0,0|2,0,0]=4 18820 B11R1.180 CSCCNC1CCNC1=O 34a_100016995588_100000212216 [0,1,0,1,0,0|2,0,0]=4 18821 B11R1.180 CSCCNC1CCOC1=O 2230a_100020590264_100000211211 [0,1,0,1,0,0|2,0,0]=4 18822 B11R1.180 CSCCOC1CCCC1=O 34a_100000230434_100000709159 [0,1,0,1,0,0|2,0,0]=4 18823 B11R1.180 CSCCOC1CCCC1=O 34a_200000719330_100000212216 [0,1,0,1,0,0|2,0,0]=4 18824 B11R1.180 CSCCOC1CCCC1=O 7a_100000230434_100000211823 [0,1,0,1,0,0|2,0,0]=4 18825 B11R1.180 CSCCOC1CCOC1=O 34a_100000230434_100000211211 [0,1,0,1,0,0|2,0,0]=4 18826 B11R1.180 CSCCOC1CCOC1=O 7a_100000230434_100000211211 [0,1,0,1,0,0|2,0,0]=4 18827 B11R1.180 CSCCO[C@H]1CCNC1=O 34a_100000688343_100000212216 [0,1,0,1,0,0|2,0,0]=4 18828 B11R1.180 CSCCSC1CCCC1=O 62a_100000211823_100000751147 [0,1,0,1,0,0|2,0,0]=4 18829 B11R1.180 CSCCSC1CCCC1=O 62a_100000212216_100000211823 [0,1,0,1,0,0|2,0,0]=4 18830 B11R1.180 CSCCSC1CCOC1=O 62a_100000211211_100000751147 [0,1,0,1,0,0|2,0,0]=4 18831 B11R1.180 CSCCSC1CCOC1=O 62a_100000212216_100000211211 [0,1,0,1,0,0|2,0,0]=4 18832 B11R1.180 CSCOCC1CCNC1=O 34a_100000133458_100011218213 [0,1,0,1,0,0|2,0,0]=4 18833 B11R1.180 NCCCOC1CCCC1=O 34a_100000182051_100000709159 [0,1,0,1,0,0|2,0,0]=4 18834 B11R1.180 NCCCOC1CCOC1=O 34a_100000182051_100000211211 [0,1,0,1,0,0|2,0,0]=4 18835 B11R1.180 O=C1CCCC1NCCCF 2230a_100015189416_100000211823 [0,1,0,1,0,0|2,0,0]=4 18836 B11R1.180 O=C1CCCC1NCCCF 34a_100015189416_100000709159 [0,1,0,1,0,0|2,0,0]=4 18837 B11R1.180 O=C1CCCC1OCCCBr 34a_100011217188_100000709159 [0,1,0,1,0,0|2,0,0]=4 18838 B11R1.180 O=C1CCCC1OCCCCl 34a_100000230001_100000709159 [0,1,0,1,0,0|2,0,0]=4 18839 B11R1.180 O=C1CCCC1OCCCF 34a_100000759539_100000709159 [0,1,0,1,0,0|2,0,0]=4 18840 B11R1.180 O=C1CCCC1OCCCF 34a_200000719330_100011934791 [0,1,0,1,0,0|2,0,0]=4 18841 B11R1.180 O=C1CCCC1OCCCO 34a_200000719330_100000230001 [0,1,0,1,0,0|2,0,0]=4 18842 B11R1.180 O=C1CCCC1SCCCF 62a_100000211823_100011934791 [0,1,0,1,0,0|2,0,0]=4 18843 B11R1.180 O=C1CCCC1SCCCF 62a_100011934791_100000211823 [0,1,0,1,0,0|2,0,0]=4 18844 B11R1.180 O=C1CCCC1SCCCO 62a_100000211823_100011215043 [0,1,0,1,0,0|2,0,0]=4 18845 B11R1.180 O=C1CCCC1SCCCO 62a_100011215043_100000211823 [0,1,0,1,0,0|2,0,0]=4 18846 B11R1.180 O=C1NCCC1COCCF 34a_100000133458_100011217306 [0,1,0,1,0,0|2,0,0]=4 18847 B11R1.180 O=C1NCCC1COCCO 34a_100000133458_100000211926 [0,1,0,1,0,0|2,0,0]=4 18848 B11R1.180 O=C1NCCC1NCCCF 2230a_100016995588_100011934791 [0,1,0,1,0,0|2,0,0]=4 18849 B11R1.180 O=C1NCCC1NCCCF 34a_100016995588_100011934791 [0,1,0,1,0,0|2,0,0]=4 18850 B11R1.180 O=C1NCCC1NCCCO 2230a_100016995588_100000230001 [0,1,0,1,0,0|2,0,0]=4 18851 B11R1.180 O=C1NCCC1NCCCO 34a_100016995588_100000230001 [0,1,0,1,0,0|2,0,0]=4 18852 B11R1.180 O=C1NCC[C@@H]1OCCCF 34a_100000688343_100011934791 [0,1,0,1,0,0|2,0,0]=4 18853 B11R1.180 O=C1NCC[C@@H]1OCCCO 34a_100000688343_100000230001 [0,1,0,1,0,0|2,0,0]=4 18854 B11R1.180 O=C1OCCC1NCCCF 2230a_100015189416_100000211211 [0,1,0,1,0,0|2,0,0]=4 18855 B11R1.180 O=C1OCCC1NCCCF 34a_100015189416_100000211211 [0,1,0,1,0,0|2,0,0]=4 18856 B11R1.180 O=C1OCCC1OCCCBr 34a_100011217188_100000211211 [0,1,0,1,0,0|2,0,0]=4 18857 B11R1.180 O=C1OCCC1OCCCCl 34a_100000230001_100000211211 [0,1,0,1,0,0|2,0,0]=4 18858 B11R1.180 O=C1OCCC1OCCCF 34a_100000759539_100000211211 [0,1,0,1,0,0|2,0,0]=4 18859 B11R1.180 O=C1OCCC1SCCCF 62a_100000211211_100011934791 [0,1,0,1,0,0|2,0,0]=4 18860 B11R1.180 O=C1OCCC1SCCCF 62a_100011934791_100000211211 [0,1,0,1,0,0|2,0,0]=4 18861 B11R1.180 O=C1OCCC1SCCCO 62a_100000211211_100011215043 [0,1,0,1,0,0|2,0,0]=4 18862 B11R1.180 O=C1OCCC1SCCCO 62a_100011215043_100000211211 [0,1,0,1,0,0|2,0,0]=4 18863 B11R1.180 [13CH3]NCCCN1CCCC1=O 2230a_100000210347_200025704644 [0,1,0,1,0,0|2,0,0]=4 18864 B11R1.180 [13CH3]NCCCN1CCCC1=O 34a_100000210347_200025704644 [0,1,0,1,0,0|2,0,0]=4 18865 B11R1.180 [13CH3]OCCCN1CCCC1=O 34a_100011216539_200025704644 [0,1,0,1,0,0|2,0,0]=4 18866 B11R1.180 [13CH3]OCCCN1CCCC1=O 7a_100011216539_200025704644 [0,1,0,1,0,0|2,0,0]=4 18867 B11R1.189 CCN1CCCC(C1)CCO 2230a_100000752241_100000210202 [0,1,0,1,0,0|2,0,0]=4 18868 B11R1.189 CCN1CCCC(C1)CCO 269982a_100000752241_100000204670 [0,1,0,1,0,0|2,0,0]=4 18869 B11R1.189 CCN1CCCC(C1)CCO 34a_100000752241_100000210202 [0,1,0,1,0,0|2,0,0]=4 18870 B11R1.189 CCN1CCCC(C1)CNC 2230a_100000747413_200000210301 [0,1,0,1,0,0|2,0,0]=4 18871 B11R1.189 CCN1CCCC(C1)CN[13CH3] 2230a_100000747413_200025704644 [0,1,0,1,0,0|2,0,0]=4 18872 B11R1.189 CCN1CCCC(C1)COC 2230a_100000755410_100000210202 [0,1,0,1,0,0|2,0,0]=4 18873 B11R1.189 CCN1CCCC(C1)COC 269982a_100000755410_100000204670 [0,1,0,1,0,0|2,0,0]=4 18874 B11R1.189 CCN1CCCC(C1)COC 34a_100000755410_100000210202 [0,1,0,1,0,0|2,0,0]=4 18875 B11R1.189 CCN1CCCC(C1)COC 7a_200000227639_200000210301 [0,1,0,1,0,0|2,0,0]=4 18876 B11R1.189 CCN1CCCC(C1)CO[13CH3] 7a_200000227639_200025704644 [0,1,0,1,0,0|2,0,0]=4 18877 B11R1.189 CCNC1CCCC(C1)CC 270004a_100015525214_100000756783 [0,1,0,1,0,0|1,0,1]=4 18878 B11R1.189 CCN[C@@H]1CCCN(C1)CC 2230a_100025775482_100000210202 [0,1,0,1,0,0|2,0,0]=4 18879 B11R1.189 CCOC1CCCC(C1)CC 7a_100011985506_100000210202 [0,1,0,1,0,0|1,0,1]=4 18880 B11R1.189 CCOC1CCCN(C1)CC 2230a_100000745229_100000210202 [0,1,0,1,0,0|2,0,0]=4 18881 B11R1.189 CCOC1CCCN(C1)CC 269982a_100000745229_100000204670 [0,1,0,1,0,0|2,0,0]=4 18882 B11R1.189 CCOC1CCCN(C1)CC 34a_100000745229_100000210202 [0,1,0,1,0,0|2,0,0]=4 18883 B11R1.199 C#CCC(=O)C1CCCC1C 1458a_100000690547_100000184674 [0,1,0,1,0,0|0,0,1]=3 18884 B11R1.199 C#CCC(=O)N1CCC[C@@H]1C 527a_100020605311_100011220946 [0,1,0,1,0,0|1,0,1]=4 18885 B11R1.199 C#CCC(=O)N1CCC[C@H]1C 527a_100015189458_100011220946 [0,1,0,1,0,0|1,0,1]=4 18886 B11R1.199 C#CCC(=O)[C@@H]1CCCN1C 1458a_100009816429_100000184674 [0,1,0,1,0,0|1,0,1]=4 18887 B11R1.199 C=CCC(=O)C1CCCC1C 1458a_100000690547_100000210623 [0,1,0,1,0,0|0,0,1]=3 18888 B11R1.199 C=CCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000210193 [0,1,0,1,0,0|1,0,1]=4 18889 B11R1.199 C=CCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000210193 [0,1,0,1,0,0|1,0,1]=4 18890 B11R1.199 C=CCC(=O)N1CCC[C@H]1C 11a_100015189458_100000210193 [0,1,0,1,0,0|1,0,1]=4 18891 B11R1.199 C=CCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000210193 [0,1,0,1,0,0|1,0,1]=4 18892 B11R1.199 C=CCC(=O)N1CCC[C@H]1C 527a_100015189458_100000210193 [0,1,0,1,0,0|1,0,1]=4 18893 B11R1.199 C=CCC(=O)[C@@H]1CCCN1C 1458a_100009816429_100000210623 [0,1,0,1,0,0|1,0,1]=4 18894 B11R1.199 CC1CCCC1C(=O)CC#N 1458a_100000690547_100011214920 [0,1,0,1,0,0|0,0,1]=3 18895 B11R1.199 CC1CCCC1C(=O)CCF 1458a_100000690547_100011217306 [0,1,0,1,0,0|0,0,0]=2 18896 B11R1.199 CC1CCCC1C(=O)CCO 1458a_100000690547_100000211926 [0,1,0,1,0,0|0,0,0]=2 18897 B11R1.199 CC1SCCN1C(=O)CCO 240690a_200011216479_100011216618 [0,1,0,1,0,0|2,0,0]=4 18898 B11R1.199 CC=CC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000210699 [0,1,0,1,0,0|1,0,1]=4 18899 B11R1.199 CC=CC(=O)N1CCC[C@H]1C 11a_100015189458_100000210699 [0,1,0,1,0,0|1,0,1]=4 18900 B11R1.199 CC=CC(=O)N1CCC[C@H]1C 240690a_100015189458_100000210699 [0,1,0,1,0,0|1,0,1]=4 18901 B11R1.199 CCCC(=O)C1CCCC1=O 1458a_100000211992_100000211823 [0,1,0,1,0,0|1,0,1]=4 18902 B11R1.199 CCCC(=O)C1CCCC1C 1458a_100000690547_100000210303 [0,1,0,1,0,0|0,0,0]=2 18903 B11R1.199 CCCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000211992 [0,1,0,1,0,0|1,0,0]=3 18904 B11R1.199 CCCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000211992 [0,1,0,1,0,0|1,0,0]=3 18905 B11R1.199 CCCC(=O)N1CCC[C@H]1C 11a_100015189458_100000211992 [0,1,0,1,0,0|1,0,0]=3 18906 B11R1.199 CCCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000211992 [0,1,0,1,0,0|1,0,0]=3 18907 B11R1.199 CCCC(=O)N1CCC[C@H]1C 527a_100015189458_100000211992 [0,1,0,1,0,0|1,0,0]=3 18908 B11R1.199 CCCC(=O)N1CCSC1C 11a_200011216479_100000211992 [0,1,0,1,0,0|2,0,0]=4 18909 B11R1.199 CCCC(=O)N1CCSC1C 1626a_200011216479_100000211992 [0,1,0,1,0,0|2,0,0]=4 18910 B11R1.199 CCCC(=O)N1CCSC1C 240690a_200011216479_100000211992 [0,1,0,1,0,0|2,0,0]=4 18911 B11R1.199 CCCC(=O)N1CCSC1C 527a_200011216479_100000211992 [0,1,0,1,0,0|2,0,0]=4 18912 B11R1.199 CCCC(=O)[C@@H]1CCCN1C 1458a_100009816429_100000210303 [0,1,0,1,0,0|1,0,0]=3 18913 B11R1.199 CCNC(=O)C1CCCC1C 11a_100015525214_100000690547 [0,1,0,1,0,0|0,0,0]=2 18914 B11R1.199 CCNC(=O)C1CCCC1C 240690a_100015525214_100000690547 [0,1,0,1,0,0|0,0,0]=2 18915 B11R1.199 CCNC(=O)C1CCCC1C 527a_100015525214_100000690547 [0,1,0,1,0,0|0,0,0]=2 18916 B11R1.199 CCNC(=O)C1CSCN1C 240690a_100015525214_100020666735 [0,1,0,1,0,0|2,0,0]=4 18917 B11R1.199 CCNC(=O)N1CCC[C@@H]1C 2708a_100015525214_100020605311 [0,1,0,1,0,0|1,0,0]=3 18918 B11R1.199 CCNC(=O)N1CCC[C@@H]1C 273464a_100015525214_100020605311 [0,1,0,1,0,0|1,0,0]=3 18919 B11R1.199 CCNC(=O)N1CCC[C@H]1C 2708a_100015525214_100015189458 [0,1,0,1,0,0|1,0,0]=3 18920 B11R1.199 CCNC(=O)N1CCC[C@H]1C 273464a_100015525214_100015189458 [0,1,0,1,0,0|1,0,0]=3 18921 B11R1.199 CCNC(=O)N1CCSC1C 2708a_100015525214_200011216479 [0,1,0,1,0,0|2,0,0]=4 18922 B11R1.199 CCNC(=O)N1CCSC1C 273464a_100015525214_200011216479 [0,1,0,1,0,0|2,0,0]=4 18923 B11R1.199 CCNC(=O)[C@@H]1CCCN1C 11a_100015525214_100009816429 [0,1,0,1,0,0|1,0,0]=3 18924 B11R1.199 CCNC(=O)[C@@H]1CCCN1C 2230a_100020641767_200000210301 [0,1,0,1,0,0|1,0,0]=3 18925 B11R1.199 CCNC(=O)[C@@H]1CCCN1C 240690a_100015525214_100009816429 [0,1,0,1,0,0|1,0,0]=3 18926 B11R1.199 CCNC(=O)[C@@H]1CCCN1C 269982a_100020641767_200000210301 [0,1,0,1,0,0|1,0,0]=3 18927 B11R1.199 CCNC(=O)[C@@H]1CCCN1C 34a_100020641767_200000210301 [0,1,0,1,0,0|1,0,0]=3 18928 B11R1.199 CCNC(=O)[C@@H]1CCCN1C 527a_100015525214_100009816429 [0,1,0,1,0,0|1,0,0]=3 18929 B11R1.199 CCNC(=O)[C@@H]1CCCN1[13CH3] 2230a_100020641767_200025704644 [0,1,0,1,0,0|1,0,0]=3 18930 B11R1.199 CCNC(=O)[C@@H]1CCCN1[13CH3] 269982a_100020641767_200025704644 [0,1,0,1,0,0|1,0,0]=3 18931 B11R1.199 CCNC(=O)[C@@H]1CCCN1[13CH3] 34a_100020641767_200025704644 [0,1,0,1,0,0|1,0,0]=3 18932 B11R1.199 CCOC(=O)[C@@H]1CCCN1C 2230a_100000703725_200000210301 [0,1,0,1,0,0|1,0,0]=3 18933 B11R1.199 CCOC(=O)[C@@H]1CCCN1C 269982a_100000703725_200000210301 [0,1,0,1,0,0|1,0,0]=3 18934 B11R1.199 CCOC(=O)[C@@H]1CCCN1[13CH3] 2230a_100000703725_200025704644 [0,1,0,1,0,0|1,0,0]=3 18935 B11R1.199 CCOC(=O)[C@@H]1CCCN1[13CH3] 269982a_100000703725_200025704644 [0,1,0,1,0,0|1,0,0]=3 18936 B11R1.199 CCOC(=O)[C@@H]1CSCN1C 269982a_100016989239_200000210301 [0,1,0,1,0,0|2,0,0]=4 18937 B11R1.199 CCOC(=O)[C@@H]1CSCN1[13CH3] 269982a_100016989239_200025704644 [0,1,0,1,0,0|2,0,0]=4 18938 B11R1.199 CN1CCC[C@H]1C(=O)CC#N 1458a_100009816429_100011214920 [0,1,0,1,0,0|1,0,1]=4 18939 B11R1.199 CN1CCC[C@H]1C(=O)CCF 1458a_100009816429_100011217306 [0,1,0,1,0,0|1,0,0]=3 18940 B11R1.199 CN1CCC[C@H]1C(=O)CCO 1458a_100009816429_100000211926 [0,1,0,1,0,0|1,0,0]=3 18941 B11R1.199 CNNC(=O)C1CCCC1C 22a_100016993582_100000690547 [0,1,0,1,0,0|1,0,0]=3 18942 B11R1.199 CNNC(=O)[C@@H]1CCCN1C 22a_100016993582_100009816429 [0,1,0,1,0,0|2,0,0]=4 18943 B11R1.199 COCC(=O)C1CCCC1=O 1458a_100000210968_100000211823 [0,1,0,1,0,0|1,0,1]=4 18944 B11R1.199 COCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000210968 [0,1,0,1,0,0|1,0,0]=3 18945 B11R1.199 COCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000210968 [0,1,0,1,0,0|1,0,0]=3 18946 B11R1.199 COCC(=O)N1CCC[C@H]1C 11a_100015189458_100000210968 [0,1,0,1,0,0|1,0,0]=3 18947 B11R1.199 COCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000210968 [0,1,0,1,0,0|1,0,0]=3 18948 B11R1.199 COCC(=O)N1CCC[C@H]1C 527a_100015189458_100000210968 [0,1,0,1,0,0|1,0,0]=3 18949 B11R1.199 COCC(=O)N1CCSC1C 11a_200011216479_100000210968 [0,1,0,1,0,0|2,0,0]=4 18950 B11R1.199 COCC(=O)N1CCSC1C 1626a_200011216479_100000210968 [0,1,0,1,0,0|2,0,0]=4 18951 B11R1.199 COCC(=O)N1CCSC1C 240690a_200011216479_100000210968 [0,1,0,1,0,0|2,0,0]=4 18952 B11R1.199 COCC(=O)N1CCSC1C 527a_200011216479_100000210968 [0,1,0,1,0,0|2,0,0]=4 18953 B11R1.199 CSCC(=O)C1CCCC1=O 1458a_100000184570_100000211823 [0,1,0,1,0,0|1,0,1]=4 18954 B11R1.199 CSCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000184570 [0,1,0,1,0,0|1,0,0]=3 18955 B11R1.199 CSCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000184570 [0,1,0,1,0,0|1,0,0]=3 18956 B11R1.199 CSCC(=O)N1CCC[C@H]1C 11a_100015189458_100000184570 [0,1,0,1,0,0|1,0,0]=3 18957 B11R1.199 CSCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000184570 [0,1,0,1,0,0|1,0,0]=3 18958 B11R1.199 CSCC(=O)N1CCC[C@H]1C 527a_100015189458_100000184570 [0,1,0,1,0,0|1,0,0]=3 18959 B11R1.199 CSCC(=O)N1CCSC1C 11a_200011216479_100000184570 [0,1,0,1,0,0|2,0,0]=4 18960 B11R1.199 CSCC(=O)N1CCSC1C 1626a_200011216479_100000184570 [0,1,0,1,0,0|2,0,0]=4 18961 B11R1.199 CSCC(=O)N1CCSC1C 240690a_200011216479_100000184570 [0,1,0,1,0,0|2,0,0]=4 18962 B11R1.199 CSCC(=O)N1CCSC1C 527a_200011216479_100000184570 [0,1,0,1,0,0|2,0,0]=4 18963 B11R1.199 C[C@@H]1CCCN1C(=O)CC#N 240690a_100015189458_100051588842 [0,1,0,1,0,0|1,0,1]=4 18964 B11R1.199 C[C@@H]1CCCN1C(=O)CCO 240690a_100015189458_100011216618 [0,1,0,1,0,0|1,0,0]=3 18965 B11R1.199 C[C@H]1CCCN1C(=O)CC#N 240690a_100020605311_100051588842 [0,1,0,1,0,0|1,0,1]=4 18966 B11R1.199 C[C@H]1CCCN1C(=O)CCO 240690a_100020605311_100011216618 [0,1,0,1,0,0|1,0,0]=3 18967 B11R1.199 O=C(CCO)C1CCCC1=O 1458a_100011216618_100000211823 [0,1,0,1,0,0|1,0,1]=4 18968 B11R1.265 CCC1C(=O)NCCN1CC 2230a_100000187962_100000210202 [0,1,0,1,0,0|2,0,0]=4 18969 B11R1.265 CCC1C(=O)NCCN1CC 269982a_100000187962_100000204670 [0,1,0,1,0,0|2,0,0]=4 18970 B11R1.265 CCC1C(=O)NCCN1CC 34a_100000187962_100000210202 [0,1,0,1,0,0|2,0,0]=4 18971 B11R1.288 CCCC(=O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100000747444 [0,1,0,1,0,0|2,0,0]=4 18972 B11R1.288 CCCC(=O)CN[C@@H]1C[C@H]1F 2230a_100025746932_100000747444 [0,1,0,1,0,0|2,0,0]=4 18973 B11R1.288 CCNC(=O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100000183381 [0,1,0,1,0,0|2,0,0]=4 18974 B11R1.288 CCNC(=O)CN[C@@H]1C[C@H]1F 2230a_100025746932_100000183381 [0,1,0,1,0,0|2,0,0]=4 18975 B11R1.288 CCNC(=O)CN[C@@H]1C[C@H]1F 34a_100025746932_100000183381 [0,1,0,1,0,0|2,0,0]=4 18976 B11R1.288 CCOC(=O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100000188475 [0,1,0,1,0,0|2,0,0]=4 18977 B11R1.288 CCOC(=O)CN[C@@H]1C[C@H]1F 2230a_100025746932_100000188475 [0,1,0,1,0,0|2,0,0]=4 18978 B11R1.288 CCOC(=O)CN[C@@H]1C[C@H]1F 34a_100025746932_100000188475 [0,1,0,1,0,0|2,0,0]=4 18979 B11R1.289 C#CCC(=O)NCC1CCC1 1626a_100000738700_100011220946 [0,1,0,1,0,0|1,0,1]=4 18980 B11R1.289 C#CCC(=O)NCC1CCC1 527a_100000738700_100011220946 [0,1,0,1,0,0|1,0,1]=4 18981 B11R1.289 C=CCC(=O)NCC1CCC1 11a_100000738700_100000210193 [0,1,0,1,0,0|1,0,1]=4 18982 B11R1.289 C=CCC(=O)NCC1CCC1 1626a_100000738700_100000210193 [0,1,0,1,0,0|1,0,1]=4 18983 B11R1.289 C=CCC(=O)NCC1CCC1 240690a_100000738700_100000210193 [0,1,0,1,0,0|1,0,1]=4 18984 B11R1.289 C=CCC(=O)NCC1CCC1 527a_100000738700_100000210193 [0,1,0,1,0,0|1,0,1]=4 18985 B11R1.289 CC=CC(=O)NCC1CCC1 11a_100000738700_100000210699 [0,1,0,1,0,0|1,0,1]=4 18986 B11R1.289 CC=CC(=O)NCC1CCC1 1626a_100000738700_100000210699 [0,1,0,1,0,0|1,0,1]=4 18987 B11R1.289 CC=CC(=O)NCC1CCC1 240690a_100000738700_100000210699 [0,1,0,1,0,0|1,0,1]=4 18988 B11R1.289 CCCC(=O)CNC1CCC1 2230a_100000749019_100000747444 [0,1,0,1,0,0|1,0,0]=3 18989 B11R1.289 CCCC(=O)CNC1COC1 2230a_100016991112_100000747444 [0,1,0,1,0,0|2,0,0]=4 18990 B11R1.289 CCCC(=O)COC1CSC1 7a_100000072292_100000747444 [0,1,0,1,0,0|2,0,0]=4 18991 B11R1.289 CCCC(=O)CSC1CCC1 62a_100000747444_100000749161 [0,1,0,1,0,0|1,0,0]=3 18992 B11R1.289 CCCC(=O)CSC1COC1 62a_100000747444_100009818527 [0,1,0,1,0,0|2,0,0]=4 18993 B11R1.289 CCCC(=O)NCC1CCC1 11a_100000738700_100000211992 [0,1,0,1,0,0|1,0,0]=3 18994 B11R1.289 CCCC(=O)NCC1CCC1 1626a_100000738700_100000211992 [0,1,0,1,0,0|1,0,0]=3 18995 B11R1.289 CCCC(=O)NCC1CCC1 240690a_100000738700_100000211992 [0,1,0,1,0,0|1,0,0]=3 18996 B11R1.289 CCCC(=O)NCC1CCC1 527a_100000738700_100000211992 [0,1,0,1,0,0|1,0,0]=3 18997 B11R1.289 CCCC(=O)NCC1COC1 11a_100015281925_100000211992 [0,1,0,1,0,0|2,0,0]=4 18998 B11R1.289 CCCC(=O)NCC1COC1 1626a_100015281925_100000211992 [0,1,0,1,0,0|2,0,0]=4 18999 B11R1.289 CCCC(=O)NCC1COC1 240690a_100015281925_100000211992 [0,1,0,1,0,0|2,0,0]=4 19000 B11R1.289 CCCC(=O)NCC1COC1 527a_100015281925_100000211992 [0,1,0,1,0,0|2,0,0]=4 19001 B11R1.289 CCCC(=O)NC[C@@H]1CCO1 11a_100020831831_100000211992 [0,1,0,1,0,0|2,0,0]=4 19002 B11R1.289 CCCC(=O)NC[C@@H]1CCO1 1626a_100020831831_100000211992 [0,1,0,1,0,0|2,0,0]=4 19003 B11R1.289 CCCC(=O)NC[C@@H]1CCO1 240690a_100020831831_100000211992 [0,1,0,1,0,0|2,0,0]=4 19004 B11R1.289 CCCC(=O)NC[C@@H]1CCO1 527a_100020831831_100000211992 [0,1,0,1,0,0|2,0,0]=4 19005 B11R1.289 CCCC(=O)NNC1CCC1 22a_100000736358_100000211992 [0,1,0,1,0,0|2,0,0]=4 19006 B11R1.289 CCCC(=O)OCN1CCC1 269982a_100000754969_100000034017 [0,1,0,1,0,0|2,0,0]=4 19007 B11R1.289 CCNC(=O)CCN1CCC1 269982a_100000754969_100000737597 [0,1,0,1,0,0|1,0,0]=3 19008 B11R1.289 CCNC(=O)CNC1CCC1 2230a_100000749019_100000183381 [0,1,0,1,0,0|1,0,0]=3 19009 B11R1.289 CCNC(=O)CNC1CCC1 270004a_100016988866_100000241760 [0,1,0,1,0,0|1,0,0]=3 19010 B11R1.289 CCNC(=O)CNC1CCC1 34a_100000749019_100000183381 [0,1,0,1,0,0|1,0,0]=3 19011 B11R1.289 CCNC(=O)CNC1COC1 2230a_100016991112_100000183381 [0,1,0,1,0,0|2,0,0]=4 19012 B11R1.289 CCNC(=O)COC1CCC1 34a_100000748187_100000183381 [0,1,0,1,0,0|1,0,0]=3 19013 B11R1.289 CCNC(=O)COC1CSC1 7a_100000072292_100000183381 [0,1,0,1,0,0|2,0,0]=4 19014 B11R1.289 CCNC(=O)CSC1CCC1 62a_100000183381_100000749161 [0,1,0,1,0,0|1,0,0]=3 19015 B11R1.289 CCNC(=O)CSC1COC1 62a_100000183381_100009818527 [0,1,0,1,0,0|2,0,0]=4 19016 B11R1.289 CCNC(=O)NCC1CCC1 2708a_100000738700_100015525214 [0,1,0,1,0,0|1,0,0]=3 19017 B11R1.289 CCNC(=O)NCC1CCC1 2708a_100015525214_100000738700 [0,1,0,1,0,0|1,0,0]=3 19018 B11R1.289 CCNC(=O)NCC1CCC1 273464a_100000738700_100015525214 [0,1,0,1,0,0|1,0,0]=3 19019 B11R1.289 CCNC(=O)NCC1CCC1 273464a_100015525214_100000738700 [0,1,0,1,0,0|1,0,0]=3 19020 B11R1.289 CCNC(=O)NCC1CCC1 512a_100000738700_100015525214 [0,1,0,1,0,0|1,0,0]=3 19021 B11R1.289 CCNC(=O)NCC1CCC1 512a_100015525214_100000738700 [0,1,0,1,0,0|1,0,0]=3 19022 B11R1.289 CCNC(=O)NCC1COC1 2708a_100015281925_100015525214 [0,1,0,1,0,0|2,0,0]=4 19023 B11R1.289 CCNC(=O)NCC1COC1 2708a_100015525214_100015281925 [0,1,0,1,0,0|2,0,0]=4 19024 B11R1.289 CCNC(=O)NCC1COC1 273464a_100015281925_100015525214 [0,1,0,1,0,0|2,0,0]=4 19025 B11R1.289 CCNC(=O)NCC1COC1 273464a_100015525214_100015281925 [0,1,0,1,0,0|2,0,0]=4 19026 B11R1.289 CCNC(=O)NCC1COC1 512a_100015281925_100015525214 [0,1,0,1,0,0|2,0,0]=4 19027 B11R1.289 CCNC(=O)NCC1COC1 512a_100015525214_100015281925 [0,1,0,1,0,0|2,0,0]=4 19028 B11R1.289 CCNC(=O)NC[C@@H]1CCO1 2708a_100015525214_100020831831 [0,1,0,1,0,0|2,0,0]=4 19029 B11R1.289 CCNC(=O)NC[C@@H]1CCO1 2708a_100020831831_100015525214 [0,1,0,1,0,0|2,0,0]=4 19030 B11R1.289 CCNC(=O)NC[C@@H]1CCO1 273464a_100015525214_100020831831 [0,1,0,1,0,0|2,0,0]=4 19031 B11R1.289 CCNC(=O)NC[C@@H]1CCO1 273464a_100020831831_100015525214 [0,1,0,1,0,0|2,0,0]=4 19032 B11R1.289 CCNC(=O)NC[C@@H]1CCO1 512a_100015525214_100020831831 [0,1,0,1,0,0|2,0,0]=4 19033 B11R1.289 CCNC(=O)NC[C@@H]1CCO1 512a_100020831831_100015525214 [0,1,0,1,0,0|2,0,0]=4 19034 B11R1.289 CCNC(=O)NNC1CCC1 273464a_100015525214_100000736358 [0,1,0,1,0,0|2,0,0]=4 19035 B11R1.289 CCNC(=O)NNC1CCC1 512a_100000736358_100015525214 [0,1,0,1,0,0|2,0,0]=4 19036 B11R1.289 CCNC(=O)NNC1CCC1 512a_100015525214_100000736358 [0,1,0,1,0,0|2,0,0]=4 19037 B11R1.289 CCOC(=O)CCN1CCC1 269982a_100000754969_100011206558 [0,1,0,1,0,0|1,0,0]=3 19038 B11R1.289 CCOC(=O)CNC1CCC1 2230a_100000749019_100000188475 [0,1,0,1,0,0|1,0,0]=3 19039 B11R1.289 CCOC(=O)CNC1CCC1 34a_100000749019_100000188475 [0,1,0,1,0,0|1,0,0]=3 19040 B11R1.289 CCOC(=O)CNC1COC1 2230a_100016991112_100000188475 [0,1,0,1,0,0|2,0,0]=4 19041 B11R1.289 CCOC(=O)COC1CCC1 34a_100000748187_100000188475 [0,1,0,1,0,0|1,0,0]=3 19042 B11R1.289 CCOC(=O)COC1CSC1 7a_100000072292_100000188475 [0,1,0,1,0,0|2,0,0]=4 19043 B11R1.289 CCOC(=O)CSC1CCC1 62a_100000188475_100000749161 [0,1,0,1,0,0|1,0,0]=3 19044 B11R1.289 CCOC(=O)CSC1COC1 62a_100000188475_100009818527 [0,1,0,1,0,0|2,0,0]=4 19045 B11R1.289 CNNC(=O)NCC1CCC1 273464a_100000738700_100016993582 [0,1,0,1,0,0|2,0,0]=4 19046 B11R1.289 CNNC(=O)NCC1CCC1 512a_100000738700_100016993582 [0,1,0,1,0,0|2,0,0]=4 19047 B11R1.289 CNNC(=O)NCC1CCC1 512a_100016993582_100000738700 [0,1,0,1,0,0|2,0,0]=4 19048 B11R1.289 COCC(=O)NCC1CCC1 11a_100000738700_100000210968 [0,1,0,1,0,0|1,0,0]=3 19049 B11R1.289 COCC(=O)NCC1CCC1 1626a_100000738700_100000210968 [0,1,0,1,0,0|1,0,0]=3 19050 B11R1.289 COCC(=O)NCC1CCC1 240690a_100000738700_100000210968 [0,1,0,1,0,0|1,0,0]=3 19051 B11R1.289 COCC(=O)NCC1CCC1 527a_100000738700_100000210968 [0,1,0,1,0,0|1,0,0]=3 19052 B11R1.289 COCC(=O)NCC1COC1 11a_100015281925_100000210968 [0,1,0,1,0,0|2,0,0]=4 19053 B11R1.289 COCC(=O)NCC1COC1 1626a_100015281925_100000210968 [0,1,0,1,0,0|2,0,0]=4 19054 B11R1.289 COCC(=O)NCC1COC1 240690a_100015281925_100000210968 [0,1,0,1,0,0|2,0,0]=4 19055 B11R1.289 COCC(=O)NCC1COC1 527a_100015281925_100000210968 [0,1,0,1,0,0|2,0,0]=4 19056 B11R1.289 COCC(=O)NC[C@@H]1CCO1 11a_100020831831_100000210968 [0,1,0,1,0,0|2,0,0]=4 19057 B11R1.289 COCC(=O)NC[C@@H]1CCO1 1626a_100020831831_100000210968 [0,1,0,1,0,0|2,0,0]=4 19058 B11R1.289 COCC(=O)NC[C@@H]1CCO1 240690a_100020831831_100000210968 [0,1,0,1,0,0|2,0,0]=4 19059 B11R1.289 COCC(=O)NC[C@@H]1CCO1 527a_100020831831_100000210968 [0,1,0,1,0,0|2,0,0]=4 19060 B11R1.289 COCC(=O)NNC1CCC1 22a_100000736358_100000210968 [0,1,0,1,0,0|2,0,0]=4 19061 B11R1.289 CSCC(=O)NCC1CCC1 11a_100000738700_100000184570 [0,1,0,1,0,0|1,0,0]=3 19062 B11R1.289 CSCC(=O)NCC1CCC1 1626a_100000738700_100000184570 [0,1,0,1,0,0|1,0,0]=3 19063 B11R1.289 CSCC(=O)NCC1CCC1 240690a_100000738700_100000184570 [0,1,0,1,0,0|1,0,0]=3 19064 B11R1.289 CSCC(=O)NCC1CCC1 527a_100000738700_100000184570 [0,1,0,1,0,0|1,0,0]=3 19065 B11R1.289 CSCC(=O)NCC1COC1 11a_100015281925_100000184570 [0,1,0,1,0,0|2,0,0]=4 19066 B11R1.289 CSCC(=O)NCC1COC1 1626a_100015281925_100000184570 [0,1,0,1,0,0|2,0,0]=4 19067 B11R1.289 CSCC(=O)NCC1COC1 240690a_100015281925_100000184570 [0,1,0,1,0,0|2,0,0]=4 19068 B11R1.289 CSCC(=O)NCC1COC1 527a_100015281925_100000184570 [0,1,0,1,0,0|2,0,0]=4 19069 B11R1.289 CSCC(=O)NC[C@@H]1CCO1 11a_100020831831_100000184570 [0,1,0,1,0,0|2,0,0]=4 19070 B11R1.289 CSCC(=O)NC[C@@H]1CCO1 1626a_100020831831_100000184570 [0,1,0,1,0,0|2,0,0]=4 19071 B11R1.289 CSCC(=O)NC[C@@H]1CCO1 240690a_100020831831_100000184570 [0,1,0,1,0,0|2,0,0]=4 19072 B11R1.289 CSCC(=O)NC[C@@H]1CCO1 527a_100020831831_100000184570 [0,1,0,1,0,0|2,0,0]=4 19073 B11R1.289 CSCC(=O)NNC1CCC1 22a_100000736358_100000184570 [0,1,0,1,0,0|2,0,0]=4 19074 B11R1.289 N#CCC(=O)NCC1CCC1 1626a_100000738700_100051588842 [0,1,0,1,0,0|1,0,1]=4 19075 B11R1.289 N#CCC(=O)NCC1CCC1 240690a_100000738700_100051588842 [0,1,0,1,0,0|1,0,1]=4 19076 B11R1.289 O=C(CCO)NCC1CCC1 240690a_100000738700_100011216618 [0,1,0,1,0,0|1,0,0]=3 19077 B11R1.289 O=C(CCO)NCC1COC1 240690a_100015281925_100011216618 [0,1,0,1,0,0|2,0,0]=4 19078 B11R1.289 O=C(CCO)NC[C@@H]1CCO1 240690a_100020831831_100011216618 [0,1,0,1,0,0|2,0,0]=4 19079 B11R1.289 O=C(CCO)NNC1CCC1 22a_100000736358_100011216618 [0,1,0,1,0,0|2,0,0]=4 19080 B11R1.289 O=C(CNC1CCC1)NCO 2230a_100000749019_100000185155 [0,1,0,1,0,0|2,0,0]=4 19081 B11R1.289 O=C(CNC1CCC1)NCO 34a_100000749019_100000185155 [0,1,0,1,0,0|2,0,0]=4 19082 B11R1.289 O=C(COC1CCC1)NCO 34a_100000748187_100000185155 [0,1,0,1,0,0|2,0,0]=4 19083 B11R1.289 O=C(CSC1CCC1)NCO 62a_100000185155_100000749161 [0,1,0,1,0,0|2,0,0]=4 19084 B11R1.290 C#CCC(=O)CCCC1CO1 1458a_100011220946_100000733510 [0,1,0,1,0,0|1,0,1]=4 19085 B11R1.290 C#CCC(=O)CSCC1CC1 1458a_200011316215_100000184674 [0,1,0,1,0,0|1,0,1]=4 19086 B11R1.290 C#CCC(=O)NCCC1CC1 1626a_100000764129_100011220946 [0,1,0,1,0,0|1,0,1]=4 19087 B11R1.290 C#CCC(=O)NCCC1CC1 527a_100000764129_100011220946 [0,1,0,1,0,0|1,0,1]=4 19088 B11R1.290 C=CCC(=O)CCCC1CO1 1458a_100000210193_100000733510 [0,1,0,1,0,0|1,0,1]=4 19089 B11R1.290 C=CCC(=O)CSCC1CC1 1458a_200011316215_100000210623 [0,1,0,1,0,0|1,0,1]=4 19090 B11R1.290 C=CCC(=O)NCCC1CC1 1626a_100000764129_100000210193 [0,1,0,1,0,0|1,0,1]=4 19091 B11R1.290 C=CCC(=O)NCCC1CC1 240690a_100000764129_100000210193 [0,1,0,1,0,0|1,0,1]=4 19092 B11R1.290 C=CCC(=O)NCCC1CC1 527a_100000764129_100000210193 [0,1,0,1,0,0|1,0,1]=4 19093 B11R1.290 CC#CC(=O)CCCC1CO1 1458a_100000763181_100000733510 [0,1,0,1,0,0|1,0,1]=4 19094 B11R1.290 CC=CC(=O)CCCC1CO1 1458a_100000210699_100000733510 [0,1,0,1,0,0|1,0,1]=4 19095 B11R1.290 CC=CC(=O)NCCC1CC1 1626a_100000764129_100000210699 [0,1,0,1,0,0|1,0,1]=4 19096 B11R1.290 CC=CC(=O)NCCC1CC1 240690a_100000764129_100000210699 [0,1,0,1,0,0|1,0,1]=4 19097 B11R1.290 CCCC(=O)CC#CC1CC1 1458a_100000211992_100009895102 [0,1,0,1,0,0|0,0,2]=4 19098 B11R1.290 CCCC(=O)CCCC1CO1 1458a_100000211992_100000733510 [0,1,0,1,0,0|1,0,0]=3 19099 B11R1.290 CCCC(=O)CNCC1CC1 2230a_100000735609_100000747444 [0,1,0,1,0,0|1,0,0]=3 19100 B11R1.290 CCCC(=O)CSCC1CC1 1458a_200011316215_100000210303 [0,1,0,1,0,0|1,0,0]=3 19101 B11R1.290 CCCC(=O)CSCC1CC1 62a_100000747444_100000742324 [0,1,0,1,0,0|1,0,0]=3 19102 B11R1.290 CCCC(=O)CSCC1CC1 62a_100000756562_100000747444 [0,1,0,1,0,0|1,0,0]=3 19103 B11R1.290 CCCC(=O)CSCC1CO1 62a_100000747444_102125554688 [0,1,0,1,0,0|2,0,0]=4 19104 B11R1.290 CCCC(=O)CSCC1CO1 62a_102125554688_100000747444 [0,1,0,1,0,0|2,0,0]=4 19105 B11R1.290 CCCC(=O)CSCC1CS1 62a_100000031435_100000747444 [0,1,0,1,0,0|2,0,0]=4 19106 B11R1.290 CCCC(=O)CSCC1CS1 62a_100000747444_100000031435 [0,1,0,1,0,0|2,0,0]=4 19107 B11R1.290 CCCC(=O)CSC[C@@H]1CO1 62a_100000745022_100000747444 [0,1,0,1,0,0|2,0,0]=4 19108 B11R1.290 CCCC(=O)CSC[C@@H]1CO1 62a_100000747444_100000745022 [0,1,0,1,0,0|2,0,0]=4 19109 B11R1.290 CCCC(=O)NCCC1CC1 1626a_100000764129_100000211992 [0,1,0,1,0,0|1,0,0]=3 19110 B11R1.290 CCCC(=O)NCCC1CC1 240690a_100000764129_100000211992 [0,1,0,1,0,0|1,0,0]=3 19111 B11R1.290 CCCC(=O)NCCC1CC1 527a_100000764129_100000211992 [0,1,0,1,0,0|1,0,0]=3 19112 B11R1.290 CCCC(=O)NNCC1CC1 22a_100000736359_100000211992 [0,1,0,1,0,0|2,0,0]=4 19113 B11R1.290 CCCC(=O)OCNC1CC1 34a_100000212008_100000034017 [0,1,0,1,0,0|2,0,0]=4 19114 B11R1.290 CCNC(=O)CCNC1CC1 34a_100025743525_100000211595 [0,1,0,1,0,0|1,0,0]=3 19115 B11R1.290 CCNC(=O)CCSC1CC1 62a_100000737597_100000211595 [0,1,0,1,0,0|1,0,0]=3 19116 B11R1.290 CCNC(=O)CNCC1CC1 2230a_100000735609_100000183381 [0,1,0,1,0,0|1,0,0]=3 19117 B11R1.290 CCNC(=O)CNCC1CC1 2230a_100016988866_100000742324 [0,1,0,1,0,0|1,0,0]=3 19118 B11R1.290 CCNC(=O)CNCC1CC1 34a_100000735609_100000183381 [0,1,0,1,0,0|1,0,0]=3 19119 B11R1.290 CCNC(=O)CNCC1CO1 2230a_100016988866_100011216344 [0,1,0,1,0,0|2,0,0]=4 19120 B11R1.290 CCNC(=O)COCC1CC1 34a_100000211283_100000183381 [0,1,0,1,0,0|1,0,0]=3 19121 B11R1.290 CCNC(=O)COC[C@@H]1CO1 34a_100000757423_100000183381 [0,1,0,1,0,0|2,0,0]=4 19122 B11R1.290 CCNC(=O)CSCC1CC1 11a_100015525214_200011316215 [0,1,0,1,0,0|1,0,0]=3 19123 B11R1.290 CCNC(=O)CSCC1CC1 240690a_100015525214_200011316215 [0,1,0,1,0,0|1,0,0]=3 19124 B11R1.290 CCNC(=O)CSCC1CC1 527a_100015525214_200011316215 [0,1,0,1,0,0|1,0,0]=3 19125 B11R1.290 CCNC(=O)CSCC1CC1 62a_100000183381_100000742324 [0,1,0,1,0,0|1,0,0]=3 19126 B11R1.290 CCNC(=O)CSCC1CC1 62a_100000756562_100000183381 [0,1,0,1,0,0|1,0,0]=3 19127 B11R1.290 CCNC(=O)CSCC1CO1 62a_100000183381_102125554688 [0,1,0,1,0,0|2,0,0]=4 19128 B11R1.290 CCNC(=O)CSCC1CO1 62a_102125554688_100000183381 [0,1,0,1,0,0|2,0,0]=4 19129 B11R1.290 CCNC(=O)CSCC1CS1 62a_100000031435_100000183381 [0,1,0,1,0,0|2,0,0]=4 19130 B11R1.290 CCNC(=O)CSCC1CS1 62a_100000183381_100000031435 [0,1,0,1,0,0|2,0,0]=4 19131 B11R1.290 CCNC(=O)CSC[C@@H]1CO1 62a_100000183381_100000745022 [0,1,0,1,0,0|2,0,0]=4 19132 B11R1.290 CCNC(=O)CSC[C@@H]1CO1 62a_100000745022_100000183381 [0,1,0,1,0,0|2,0,0]=4 19133 B11R1.290 CCNC(=O)NCCC1CC1 2708a_100000764129_100015525214 [0,1,0,1,0,0|1,0,0]=3 19134 B11R1.290 CCNC(=O)NCCC1CC1 2708a_100015525214_100000764129 [0,1,0,1,0,0|1,0,0]=3 19135 B11R1.290 CCNC(=O)NCCC1CC1 273464a_100000764129_100015525214 [0,1,0,1,0,0|1,0,0]=3 19136 B11R1.290 CCNC(=O)NCCC1CC1 273464a_100015525214_100000764129 [0,1,0,1,0,0|1,0,0]=3 19137 B11R1.290 CCNC(=O)NCCC1CC1 512a_100000764129_100015525214 [0,1,0,1,0,0|1,0,0]=3 19138 B11R1.290 CCNC(=O)NCCC1CC1 512a_100015525214_100000764129 [0,1,0,1,0,0|1,0,0]=3 19139 B11R1.290 CCNC(=O)NNCC1CC1 273464a_100015525214_100000736359 [0,1,0,1,0,0|2,0,0]=4 19140 B11R1.290 CCNC(=O)NNCC1CC1 512a_100000736359_100015525214 [0,1,0,1,0,0|2,0,0]=4 19141 B11R1.290 CCNC(=O)NNCC1CC1 512a_100015525214_100000736359 [0,1,0,1,0,0|2,0,0]=4 19142 B11R1.290 CCOC(=O)CCNC1CC1 34a_100000212008_100000765890 [0,1,0,1,0,0|1,0,0]=3 19143 B11R1.290 CCOC(=O)CCSC1CC1 62a_100000765890_100000211595 [0,1,0,1,0,0|1,0,0]=3 19144 B11R1.290 CCOC(=O)CNCC1CC1 2230a_100000735609_100000188475 [0,1,0,1,0,0|1,0,0]=3 19145 B11R1.290 CCOC(=O)CNCC1CC1 34a_100000735609_100000188475 [0,1,0,1,0,0|1,0,0]=3 19146 B11R1.290 CCOC(=O)COCC1CC1 34a_100000211283_100000188475 [0,1,0,1,0,0|1,0,0]=3 19147 B11R1.290 CCOC(=O)COC[C@@H]1CO1 34a_100000757423_100000188475 [0,1,0,1,0,0|2,0,0]=4 19148 B11R1.290 CCOC(=O)CSCC1CC1 62a_100000188475_100000742324 [0,1,0,1,0,0|1,0,0]=3 19149 B11R1.290 CCOC(=O)CSCC1CC1 62a_100000756562_100000188475 [0,1,0,1,0,0|1,0,0]=3 19150 B11R1.290 CCOC(=O)CSCC1CO1 62a_100000188475_102125554688 [0,1,0,1,0,0|2,0,0]=4 19151 B11R1.290 CCOC(=O)CSCC1CO1 62a_102125554688_100000188475 [0,1,0,1,0,0|2,0,0]=4 19152 B11R1.290 CCOC(=O)CSCC1CS1 62a_100000031435_100000188475 [0,1,0,1,0,0|2,0,0]=4 19153 B11R1.290 CCOC(=O)CSCC1CS1 62a_100000188475_100000031435 [0,1,0,1,0,0|2,0,0]=4 19154 B11R1.290 CCOC(=O)CSC[C@@H]1CO1 62a_100000188475_100000745022 [0,1,0,1,0,0|2,0,0]=4 19155 B11R1.290 CCOC(=O)CSC[C@@H]1CO1 62a_100000745022_100000188475 [0,1,0,1,0,0|2,0,0]=4 19156 B11R1.290 CNNC(=O)CSCC1CC1 22a_100016993582_200011316215 [0,1,0,1,0,0|2,0,0]=4 19157 B11R1.290 CNNC(=O)NCCC1CC1 273464a_100000764129_100016993582 [0,1,0,1,0,0|2,0,0]=4 19158 B11R1.290 CNNC(=O)NCCC1CC1 512a_100000764129_100016993582 [0,1,0,1,0,0|2,0,0]=4 19159 B11R1.290 CNNC(=O)NCCC1CC1 512a_100016993582_100000764129 [0,1,0,1,0,0|2,0,0]=4 19160 B11R1.290 COCC(=O)CC#CC1CC1 1458a_100000210968_100009895102 [0,1,0,1,0,0|0,0,2]=4 19161 B11R1.290 COCC(=O)CCCC1CO1 1458a_100000210968_100000733510 [0,1,0,1,0,0|1,0,0]=3 19162 B11R1.290 COCC(=O)NCCC1CC1 1626a_100000764129_100000210968 [0,1,0,1,0,0|1,0,0]=3 19163 B11R1.290 COCC(=O)NCCC1CC1 240690a_100000764129_100000210968 [0,1,0,1,0,0|1,0,0]=3 19164 B11R1.290 COCC(=O)NCCC1CC1 527a_100000764129_100000210968 [0,1,0,1,0,0|1,0,0]=3 19165 B11R1.290 COCC(=O)NNCC1CC1 22a_100000736359_100000210968 [0,1,0,1,0,0|2,0,0]=4 19166 B11R1.290 CSCC(=O)CC#CC1CC1 1458a_100000184570_100009895102 [0,1,0,1,0,0|0,0,2]=4 19167 B11R1.290 CSCC(=O)CCCC1CO1 1458a_100000184570_100000733510 [0,1,0,1,0,0|1,0,0]=3 19168 B11R1.290 CSCC(=O)NCCC1CC1 1626a_100000764129_100000184570 [0,1,0,1,0,0|1,0,0]=3 19169 B11R1.290 CSCC(=O)NCCC1CC1 240690a_100000764129_100000184570 [0,1,0,1,0,0|1,0,0]=3 19170 B11R1.290 CSCC(=O)NCCC1CC1 527a_100000764129_100000184570 [0,1,0,1,0,0|1,0,0]=3 19171 B11R1.290 CSCC(=O)NNCC1CC1 22a_100000736359_100000184570 [0,1,0,1,0,0|2,0,0]=4 19172 B11R1.290 N#CCC(=O)CCCC1CO1 1458a_100051588842_100000733510 [0,1,0,1,0,0|1,0,1]=4 19173 B11R1.290 N#CCC(=O)CSCC1CC1 1458a_200011316215_100011214920 [0,1,0,1,0,0|1,0,1]=4 19174 B11R1.290 N#CCC(=O)NCCC1CC1 1626a_100000764129_100051588842 [0,1,0,1,0,0|1,0,1]=4 19175 B11R1.290 N#CCC(=O)NCCC1CC1 240690a_100000764129_100051588842 [0,1,0,1,0,0|1,0,1]=4 19176 B11R1.290 O=C(CC#CC1CC1)CCO 1458a_100011216618_100009895102 [0,1,0,1,0,0|0,0,2]=4 19177 B11R1.290 O=C(CCF)CSCC1CC1 1458a_200011316215_100011217306 [0,1,0,1,0,0|1,0,0]=3 19178 B11R1.290 O=C(CCO)CCCC1CO1 1458a_100011216618_100000733510 [0,1,0,1,0,0|1,0,0]=3 19179 B11R1.290 O=C(CCO)CSCC1CC1 1458a_200011316215_100000211926 [0,1,0,1,0,0|1,0,0]=3 19180 B11R1.290 O=C(CCO)NCCC1CC1 240690a_100000764129_100011216618 [0,1,0,1,0,0|1,0,0]=3 19181 B11R1.290 O=C(CCO)NNCC1CC1 22a_100000736359_100011216618 [0,1,0,1,0,0|2,0,0]=4 19182 B11R1.290 O=C(CNCC1CC1)NCO 2230a_100000735609_100000185155 [0,1,0,1,0,0|2,0,0]=4 19183 B11R1.290 O=C(CNCC1CC1)NCO 34a_100000735609_100000185155 [0,1,0,1,0,0|2,0,0]=4 19184 B11R1.290 O=C(COCC1CC1)NCO 34a_100000211283_100000185155 [0,1,0,1,0,0|2,0,0]=4 19185 B11R1.290 O=C(CSCC1CC1)NCO 62a_100000185155_100000742324 [0,1,0,1,0,0|2,0,0]=4 19186 B11R1.290 O=C(CSCC1CC1)NCO 62a_100000756562_100000185155 [0,1,0,1,0,0|2,0,0]=4 19187 B11R1.291 CC(CCBr)OC1CCC1=O 34a_100012276601_100009892977 [0,1,0,1,0,0|2,0,0]=4 19188 B11R1.291 CC(CCO)SC1CCC1=O 62a_100009892977_100009893172 [0,1,0,1,0,0|2,0,0]=4 19189 B11R1.291 CC(CCO)SC1CCC1=O 62a_100009893172_100009892977 [0,1,0,1,0,0|2,0,0]=4 19190 B11R1.291 CC1CCN1CC(=O)NCO 269982a_100000755817_100000185155 [0,1,0,1,0,0|2,0,0]=4 19191 B11R1.291 CC1CCN1CC(=O)NCO 34a_100000755817_100000185155 [0,1,0,1,0,0|2,0,0]=4 19192 B11R1.291 CCCC(=O)CN1CCC1C 269982a_100000755817_100000747444 [0,1,0,1,0,0|1,0,0]=3 19193 B11R1.291 CCCC(C)OC1CCC1=O 34a_100000764384_100009892977 [0,1,0,1,0,0|1,0,0]=3 19194 B11R1.291 CCCC(C)OC1CCC1=O 7a_100000764384_100009892977 [0,1,0,1,0,0|1,0,0]=3 19195 B11R1.291 CCCC(C)SC1CCC1=O 62a_100000766640_100009892977 [0,1,0,1,0,0|1,0,0]=3 19196 B11R1.291 CCCC(C)SC1CCC1=O 62a_100009892977_100000766640 [0,1,0,1,0,0|1,0,0]=3 19197 B11R1.291 CCNC(=O)CN1CCC1C 269982a_100000755817_100000183381 [0,1,0,1,0,0|1,0,0]=3 19198 B11R1.291 CCNC(=O)CN1CCC1C 34a_100000755817_100000183381 [0,1,0,1,0,0|1,0,0]=3 19199 B11R1.291 CCOC(=O)CN1CCC1C 269982a_100000755817_100000188475 [0,1,0,1,0,0|1,0,0]=3 19200 B11R1.291 CCOC(=O)CN1CCC1C 34a_100000755817_100000188475 [0,1,0,1,0,0|1,0,0]=3 19201 B11R1.291 COCC(C)SC1CCC1=O 62a_100000765312_100009892977 [0,1,0,1,0,0|2,0,0]=4 19202 B11R1.291 COCC(C)SC1CCC1=O 62a_100009892977_100000765312 [0,1,0,1,0,0|2,0,0]=4 19203 B11R1.291 COC[C@@H](C)OC1CCC1=O 34a_100011934205_100009892977 [0,1,0,1,0,0|2,0,0]=4 19204 B11R1.291 C[C@H](CCO)NC1CCC1=O 34a_100000706166_100009892977 [0,1,0,1,0,0|2,0,0]=4 19205 B11R1.356 C#CCCCCC(=O)C1CC1 1458a_100000210395_100010269958 [0,1,0,1,0,0|0,0,2]=4 19206 B11R1.356 C#CCCCCC(=O)C1CO1 1458a_100000701028_100010269958 [0,1,0,1,0,0|0,0,2]=4 19207 B11R1.356 C=CCCCCC(=O)C1CC1 1458a_100000210395_100011215482 [0,1,0,1,0,0|0,0,2]=4 19208 B11R1.356 C=CCCCCC(=O)C1CO1 1458a_100000701028_100011215482 [0,1,0,1,0,0|0,0,2]=4 19209 B11R1.356 CC/C=C\CCC(=O)C1CC1 1458a_100000210395_100015370543 [0,1,0,1,0,0|0,0,2]=4 19210 B11R1.356 CC/C=C\CCC(=O)C1CO1 1458a_100000701028_100015370543 [0,1,0,1,0,0|0,0,2]=4 19211 B11R1.356 CCCCCCC(=O)C1CC1 1458a_100000210395_100000210757 [0,1,0,1,0,0|0,0,0]=2 19212 B11R1.356 CCCCCCC(=O)C1CO1 1458a_100000701028_100000210757 [0,1,0,1,0,0|0,0,0]=2 19213 B11R1.356 CCCCCCN(C)C1CC1 2230a_100000226674_100000210314 [0,1,0,1,0,0|2,0,0]=4 19214 B11R1.356 CCCCCCN(C)C1CC1 269982a_100000226674_100000210757 [0,1,0,1,0,0|2,0,0]=4 19215 B11R1.356 CCCCCCN(C)C1CC1 269982a_106256046315_100000211595 [0,1,0,1,0,0|2,0,0]=4 19216 B11R1.356 CCCCCNC(=O)C1CC1 11a_100000209983_100000210395 [0,1,0,1,0,0|1,0,0]=3 19217 B11R1.356 CCCCCNC(=O)C1CC1 1626a_100000209983_100000210395 [0,1,0,1,0,0|1,0,0]=3 19218 B11R1.356 CCCCCNC(=O)C1CC1 240690a_100000209983_100000210395 [0,1,0,1,0,0|1,0,0]=3 19219 B11R1.356 CCCCCNC(=O)C1CC1 527a_100000209983_100000210395 [0,1,0,1,0,0|1,0,0]=3 19220 B11R1.356 CCCCCNC(=O)C1CO1 11a_100000209983_100000701028 [0,1,0,1,0,0|1,0,0]=3 19221 B11R1.356 CCCCCNC(=O)C1CO1 1626a_100000209983_100000701028 [0,1,0,1,0,0|1,0,0]=3 19222 B11R1.356 CCCCCNC(=O)C1CO1 240690a_100000209983_100000701028 [0,1,0,1,0,0|1,0,0]=3 19223 B11R1.356 CCCCCNC(=O)C1CO1 527a_100000209983_100000701028 [0,1,0,1,0,0|1,0,0]=3 19224 B11R1.356 CCCCNCC(=O)C1CC1 2230a_100000102301_100000746382 [0,1,0,1,0,0|1,0,0]=3 19225 B11R1.356 CCCCNCC(=O)C1CC1 7a_106832991798_100000746382 [0,1,0,1,0,0|1,0,0]=3 19226 B11R1.356 CCCCNNC(=O)C1CC1 22a_100025702795_100000210395 [0,1,0,1,0,0|2,0,0]=4 19227 B11R1.356 CCCCNNC(=O)C1CO1 22a_100025702795_100000701028 [0,1,0,1,0,0|2,0,0]=4 19228 B11R1.356 CCCCOCC(=O)C1CC1 1458a_100000210395_100011995733 [0,1,0,1,0,0|1,0,0]=3 19229 B11R1.356 CCCCOCC(=O)C1CC1 34a_100000210227_100000746382 [0,1,0,1,0,0|1,0,0]=3 19230 B11R1.356 CCCCOCC(=O)C1CC1 34a_100000686663_100000210210 [0,1,0,1,0,0|1,0,0]=3 19231 B11R1.356 CCCCOCC(=O)C1CC1 7a_100000210227_100000746382 [0,1,0,1,0,0|1,0,0]=3 19232 B11R1.356 CCCCOCC(=O)C1CO1 1458a_100000701028_100011995733 [0,1,0,1,0,0|1,0,0]=3 19233 B11R1.356 CCCCSCC(=O)C1CC1 62a_100000210211_100000746382 [0,1,0,1,0,0|1,0,0]=3 19234 B11R1.356 CCCCSCC(=O)C1CC1 62a_100000746382_100000210210 [0,1,0,1,0,0|1,0,0]=3 19235 B11R1.356 CCCOCCC(=O)C1CC1 1458a_100000210395_100011215938 [0,1,0,1,0,0|1,0,0]=3 19236 B11R1.356 CCCOCCC(=O)C1CO1 1458a_100000701028_100011215938 [0,1,0,1,0,0|1,0,0]=3 19237 B11R1.356 CCCOCOC(=O)C1CC1 34a_100000210258_100000140896 [0,1,0,1,0,0|2,0,0]=4 19238 B11R1.356 CCCSCOC(=O)C1CC1 62a_100000140896_100000210303 [0,1,0,1,0,0|2,0,0]=4 19239 B11R1.356 CCCSCOC(=O)C1CC1 62a_100000210303_100000140896 [0,1,0,1,0,0|2,0,0]=4 19240 B11R1.356 CCOCCCC(=O)C1CC1 1458a_100000210395_100012232248 [0,1,0,1,0,0|1,0,0]=3 19241 B11R1.356 CCOCCCC(=O)C1CO1 1458a_100000701028_100012232248 [0,1,0,1,0,0|1,0,0]=3 19242 B11R1.356 CCOCCNC(=O)C1CC1 11a_100011200944_100000210395 [0,1,0,1,0,0|2,0,0]=4 19243 B11R1.356 CCOCCNC(=O)C1CC1 1626a_102516460346_100000210395 [0,1,0,1,0,0|2,0,0]=4 19244 B11R1.356 CCOCCNC(=O)C1CC1 240690a_100011200944_100000210395 [0,1,0,1,0,0|2,0,0]=4 19245 B11R1.356 CCOCCNC(=O)C1CC1 527a_100011200944_100000210395 [0,1,0,1,0,0|2,0,0]=4 19246 B11R1.356 CCOCCNC(=O)C1CO1 11a_100011200944_100000701028 [0,1,0,1,0,0|2,0,0]=4 19247 B11R1.356 CCOCCNC(=O)C1CO1 1626a_102516460346_100000701028 [0,1,0,1,0,0|2,0,0]=4 19248 B11R1.356 CCOCCNC(=O)C1CO1 240690a_100011200944_100000701028 [0,1,0,1,0,0|2,0,0]=4 19249 B11R1.356 CCOCCNC(=O)C1CO1 527a_100011200944_100000701028 [0,1,0,1,0,0|2,0,0]=4 19250 B11R1.356 CCOCSCC(=O)C1CC1 62a_100000739092_100000746382 [0,1,0,1,0,0|2,0,0]=4 19251 B11R1.356 CCOCSCC(=O)C1CC1 62a_100000746382_100000739092 [0,1,0,1,0,0|2,0,0]=4 19252 B11R1.356 CCSCCNC(=O)C1CC1 11a_100000106463_100000210395 [0,1,0,1,0,0|2,0,0]=4 19253 B11R1.356 CCSCCNC(=O)C1CC1 1626a_100000106463_100000210395 [0,1,0,1,0,0|2,0,0]=4 19254 B11R1.356 CCSCCNC(=O)C1CC1 240690a_100000106463_100000210395 [0,1,0,1,0,0|2,0,0]=4 19255 B11R1.356 CCSCCNC(=O)C1CC1 527a_100000106463_100000210395 [0,1,0,1,0,0|2,0,0]=4 19256 B11R1.356 CCSCCNC(=O)C1CO1 11a_100000106463_100000701028 [0,1,0,1,0,0|2,0,0]=4 19257 B11R1.356 CCSCCNC(=O)C1CO1 1626a_100000106463_100000701028 [0,1,0,1,0,0|2,0,0]=4 19258 B11R1.356 CCSCCNC(=O)C1CO1 240690a_100000106463_100000701028 [0,1,0,1,0,0|2,0,0]=4 19259 B11R1.356 CCSCCNC(=O)C1CO1 527a_100000106463_100000701028 [0,1,0,1,0,0|2,0,0]=4 19260 B11R1.356 COCCCCC(=O)C1CC1 1458a_100000210395_100000755781 [0,1,0,1,0,0|1,0,0]=3 19261 B11R1.356 COCCCCC(=O)C1CO1 1458a_100000701028_100000755781 [0,1,0,1,0,0|1,0,0]=3 19262 B11R1.356 COCCCNC(=O)C1CC1 1626a_100150723488_100000210395 [0,1,0,1,0,0|2,0,0]=4 19263 B11R1.356 COCCCNC(=O)C1CC1 240690a_100150723488_100000210395 [0,1,0,1,0,0|2,0,0]=4 19264 B11R1.356 COCCCNC(=O)C1CC1 527a_100150723488_100000210395 [0,1,0,1,0,0|2,0,0]=4 19265 B11R1.356 COCCCNC(=O)C1CO1 1626a_100150723488_100000701028 [0,1,0,1,0,0|2,0,0]=4 19266 B11R1.356 COCCCNC(=O)C1CO1 240690a_100150723488_100000701028 [0,1,0,1,0,0|2,0,0]=4 19267 B11R1.356 COCCCNC(=O)C1CO1 527a_100150723488_100000701028 [0,1,0,1,0,0|2,0,0]=4 19268 B11R1.356 COCCNCC(=O)C1CC1 2230a_100000209980_100000746382 [0,1,0,1,0,0|2,0,0]=4 19269 B11R1.356 COCCOCC(=O)C1CC1 34a_100000210237_100000746382 [0,1,0,1,0,0|2,0,0]=4 19270 B11R1.356 COCCOCC(=O)C1CC1 34a_100000686663_100011201679 [0,1,0,1,0,0|2,0,0]=4 19271 B11R1.356 COCCSCC(=O)C1CC1 62a_100000233755_100000746382 [0,1,0,1,0,0|2,0,0]=4 19272 B11R1.356 COCCSCC(=O)C1CC1 62a_100000746382_100000233755 [0,1,0,1,0,0|2,0,0]=4 19273 B11R1.356 CSCCCNC(=O)C1CC1 11a_100000749238_100000210395 [0,1,0,1,0,0|2,0,0]=4 19274 B11R1.356 CSCCCNC(=O)C1CC1 1626a_100000749238_100000210395 [0,1,0,1,0,0|2,0,0]=4 19275 B11R1.356 CSCCCNC(=O)C1CC1 240690a_100000749238_100000210395 [0,1,0,1,0,0|2,0,0]=4 19276 B11R1.356 CSCCCNC(=O)C1CC1 527a_100000749238_100000210395 [0,1,0,1,0,0|2,0,0]=4 19277 B11R1.356 CSCCCNC(=O)C1CO1 11a_100000749238_100000701028 [0,1,0,1,0,0|2,0,0]=4 19278 B11R1.356 CSCCCNC(=O)C1CO1 1626a_100000749238_100000701028 [0,1,0,1,0,0|2,0,0]=4 19279 B11R1.356 CSCCCNC(=O)C1CO1 240690a_100000749238_100000701028 [0,1,0,1,0,0|2,0,0]=4 19280 B11R1.356 CSCCCNC(=O)C1CO1 527a_100000749238_100000701028 [0,1,0,1,0,0|2,0,0]=4 19281 B11R1.356 CSCCNCC(=O)C1CC1 2230a_100020590264_100000746382 [0,1,0,1,0,0|2,0,0]=4 19282 B11R1.356 CSCCOCC(=O)C1CC1 34a_100000230434_100000746382 [0,1,0,1,0,0|2,0,0]=4 19283 B11R1.356 CSCCOCC(=O)C1CC1 34a_100000686663_100000212216 [0,1,0,1,0,0|2,0,0]=4 19284 B11R1.356 CSCCOCC(=O)C1CC1 7a_100000230434_100000746382 [0,1,0,1,0,0|2,0,0]=4 19285 B11R1.356 CSCCSCC(=O)C1CC1 62a_100000212216_100000746382 [0,1,0,1,0,0|2,0,0]=4 19286 B11R1.356 CSCCSCC(=O)C1CC1 62a_100000746382_100000751147 [0,1,0,1,0,0|2,0,0]=4 19287 B11R1.356 N#CCCCCC(=O)C1CC1 1458a_100000210395_100000211819 [0,1,0,1,0,0|1,0,1]=4 19288 B11R1.356 N#CCCCCC(=O)C1CO1 1458a_100000701028_100000211819 [0,1,0,1,0,0|1,0,1]=4 19289 B11R1.356 NCCCOCC(=O)C1CC1 34a_100000182051_100000746382 [0,1,0,1,0,0|2,0,0]=4 19290 B11R1.356 O=C(CCCCCF)C1CC1 1458a_100000210395_100000729378 [0,1,0,1,0,0|1,0,0]=3 19291 B11R1.356 O=C(CCCCCF)C1CO1 1458a_100000701028_100000729378 [0,1,0,1,0,0|1,0,0]=3 19292 B11R1.356 O=C(CCCCCO)C1CC1 1458a_100000210395_100000746330 [0,1,0,1,0,0|1,0,0]=3 19293 B11R1.356 O=C(CCCCCO)C1CO1 1458a_100000701028_100000746330 [0,1,0,1,0,0|1,0,0]=3 19294 B11R1.356 O=C(CCOCCO)C1CC1 1458a_100000210395_100011215305 [0,1,0,1,0,0|2,0,0]=4 19295 B11R1.356 O=C(CCOCCO)C1CO1 1458a_100000701028_100011215305 [0,1,0,1,0,0|2,0,0]=4 19296 B11R1.356 O=C(CNCCCF)C1CC1 2230a_100015189416_100000746382 [0,1,0,1,0,0|2,0,0]=4 19297 B11R1.356 O=C(CNCCCF)C1CC1 34a_100015189416_100000746382 [0,1,0,1,0,0|2,0,0]=4 19298 B11R1.356 O=C(COCCCBr)C1CC1 34a_100011217188_100000746382 [0,1,0,1,0,0|2,0,0]=4 19299 B11R1.356 O=C(COCCCCl)C1CC1 34a_100000230001_100000746382 [0,1,0,1,0,0|2,0,0]=4 19300 B11R1.356 O=C(COCCCF)C1CC1 34a_100000686663_100011934791 [0,1,0,1,0,0|2,0,0]=4 19301 B11R1.356 O=C(COCCCF)C1CC1 34a_100000759539_100000746382 [0,1,0,1,0,0|2,0,0]=4 19302 B11R1.356 O=C(COCCCO)C1CC1 34a_100000686663_100000230001 [0,1,0,1,0,0|2,0,0]=4 19303 B11R1.356 O=C(CSCCCF)C1CC1 62a_100000746382_100011934791 [0,1,0,1,0,0|2,0,0]=4 19304 B11R1.356 O=C(CSCCCF)C1CC1 62a_100011934791_100000746382 [0,1,0,1,0,0|2,0,0]=4 19305 B11R1.356 O=C(CSCCCO)C1CC1 62a_100000746382_100011215043 [0,1,0,1,0,0|2,0,0]=4 19306 B11R1.356 O=C(CSCCCO)C1CC1 62a_100011215043_100000746382 [0,1,0,1,0,0|2,0,0]=4 19307 B11R1.356 O=C(NCCCCO)C1CC1 240690a_100000750430_100000210395 [0,1,0,1,0,0|2,0,0]=4 19308 B11R1.356 O=C(NCCCCO)C1CC1 527a_100000750430_100000210395 [0,1,0,1,0,0|2,0,0]=4 19309 B11R1.356 O=C(NCCCCO)C1CO1 240690a_100000750430_100000701028 [0,1,0,1,0,0|2,0,0]=4 19310 B11R1.356 O=C(NCCCCO)C1CO1 527a_100000750430_100000701028 [0,1,0,1,0,0|2,0,0]=4 19311 B11R1.779 CCNC1(CCCCCC1)C 2230a_100000704638_100000210202 [0,1,0,1,0,0|1,0,1]=4 19312 B11R1.779 CCNC1(CCCCCC1)C 34a_100000704638_100000210202 [0,1,0,1,0,0|1,0,1]=4 19313 B11R1.779 CCOC1(CCCCCC1)C 34a_100000708895_100000210202 [0,1,0,1,0,0|1,0,1]=4 19314 B11R1.779 CCOC1(CCCCCC1)C 7a_100000708895_100000210202 [0,1,0,1,0,0|1,0,1]=4 19315 B11R1.39 CC(CO)OC1CCC(=O)C1 34a_100012614533_100012180447 [0,1,0,1,0,0|2,0,0]=4 19316 B11R1.39 CCC(=O)CC1CCC(=O)N1 1458a_100000026770_100000210202 [0,1,0,1,0,0|1,0,1]=4 19317 B11R1.39 CCC(=O)CC1CCN(C1)C 1458a_100000210414_200000690779 [0,1,0,1,0,0|1,0,0]=3 19318 B11R1.39 CCC(=O)CN1CCC(=N1)C 1458a_100015183194_100000210202 [0,1,0,1,0,0|1,0,1]=4 19319 B11R1.39 CCC(=O)CN1CCC(C1)O 269982a_100011215560_100000747405 [0,1,0,1,0,0|1,0,0]=3 19320 B11R1.39 CCC(=O)CN1CC[C@@H](C1)F 269982a_100015203821_100000747405 [0,1,0,1,0,0|1,0,0]=3 19321 B11R1.39 CCC(=O)CN1CC[C@H](C1)C 269982a_100016987628_100000747405 [0,1,0,1,0,0|1,0,0]=3 19322 B11R1.39 CCC(=O)C[C@@H]1CCC(=O)N1 1458a_100000210414_100015189358 [0,1,0,1,0,0|1,0,1]=4 19323 B11R1.39 CCC(=O)NC1CCN(C1)C 1626a_100000744687_100000210414 [0,1,0,1,0,0|2,0,0]=4 19324 B11R1.39 CCC(=O)NC1CCN(C1)C 240690a_100000744687_100000210414 [0,1,0,1,0,0|2,0,0]=4 19325 B11R1.39 CCC(=O)NC1CCN(C1)C 527a_100000744687_100000210414 [0,1,0,1,0,0|2,0,0]=4 19326 B11R1.39 CCC(=O)N[C@H]1CC[C@H](C1)O 1626a_100015195300_100000210414 [0,1,0,1,0,0|1,0,0]=3 19327 B11R1.39 CCC(=O)N[C@H]1CC[C@H](C1)O 240690a_100015195300_100000210414 [0,1,0,1,0,0|1,0,0]=3 19328 B11R1.39 CCC(C)CN1CNC(=O)C1 2230a_200000708111_100000748023 [0,1,0,1,0,0|2,0,0]=4 19329 B11R1.39 CCC(C)NC1CNC(=O)C1 2230a_100000697751_100000758301 [0,1,0,1,0,0|2,0,0]=4 19330 B11R1.39 CCC(C)OC1CCC(=O)C1 34a_100012614533_100011215416 [0,1,0,1,0,0|1,0,0]=3 19331 B11R1.39 CCC(C)OC1CNC(=O)C1 34a_100000690082_100011215416 [0,1,0,1,0,0|2,0,0]=4 19332 B11R1.39 CCC(O)CN1CNC(=O)C1 2230a_200000708111_100011218378 [0,1,0,1,0,0|2,0,0]=4 19333 B11R1.39 CCN(C)C[C@@H]1CCC(=O)N1 2230a_100000225621_100015189358 [0,1,0,1,0,0|2,0,0]=4 19334 B11R1.39 CCN(C)C[C@@H]1CCC(=O)N1 269982a_100000225621_100015189358 [0,1,0,1,0,0|2,0,0]=4 19335 B11R1.39 CC[C@H](C)CN1CNC(=O)C1 2230a_200000708111_100009816398 [0,1,0,1,0,0|2,0,0]=4 19336 B11R1.39 CN1CCC(C1)CC(=O)CO 1458a_100000210174_200000690779 [0,1,0,1,0,0|2,0,0]=4 19337 B11R1.39 CNC(=O)CN1CCC(C1)O 2230a_100011215560_100000183359 [0,1,0,1,0,0|2,0,0]=4 19338 B11R1.39 CNC(=O)CN1CCC(C1)O 269982a_100011215560_100000183359 [0,1,0,1,0,0|2,0,0]=4 19339 B11R1.39 CNC(=O)CN1CC[C@@H](C1)F 2230a_100015203821_100000183359 [0,1,0,1,0,0|2,0,0]=4 19340 B11R1.39 CNC(=O)CN1CC[C@@H](C1)F 269982a_100015203821_100000183359 [0,1,0,1,0,0|2,0,0]=4 19341 B11R1.39 CNC(=O)CN1CC[C@@H](C1)F 34a_100015203821_100000183359 [0,1,0,1,0,0|2,0,0]=4 19342 B11R1.39 CNC(=O)CN1CC[C@H](C1)C 2230a_100016987628_100000183359 [0,1,0,1,0,0|2,0,0]=4 19343 B11R1.39 CNC(=O)CN1CC[C@H](C1)C 269982a_100016987628_100000183359 [0,1,0,1,0,0|2,0,0]=4 19344 B11R1.39 CNC(=O)CN1CC[C@H](C1)C 34a_100016987628_100000183359 [0,1,0,1,0,0|2,0,0]=4 19345 B11R1.39 CNC(=O)N[C@H]1CC[C@H](C1)O 2708a_100015195300_106832991635 [0,1,0,1,0,0|2,0,0]=4 19346 B11R1.39 CNC(=O)N[C@H]1CC[C@H](C1)O 2708a_100102657272_100015195300 [0,1,0,1,0,0|2,0,0]=4 19347 B11R1.39 CNC(=O)N[C@H]1CC[C@H](C1)O 273464a_100015195300_100102657272 [0,1,0,1,0,0|2,0,0]=4 19348 B11R1.39 CNC(=O)N[C@H]1CC[C@H](C1)O 273464a_100102657272_100015195300 [0,1,0,1,0,0|2,0,0]=4 19349 B11R1.39 CNC(=O)N[C@H]1CC[C@H](C1)O 512a_100015195300_100102657272 [0,1,0,1,0,0|2,0,0]=4 19350 B11R1.39 COC(=O)CN1CCC(C1)O 2230a_100011215560_100000747449 [0,1,0,1,0,0|2,0,0]=4 19351 B11R1.39 COC(=O)CN1CCC(C1)O 269982a_100011215560_100000747449 [0,1,0,1,0,0|2,0,0]=4 19352 B11R1.39 COC(=O)CN1CC[C@@H](C1)F 2230a_100015203821_100000747449 [0,1,0,1,0,0|2,0,0]=4 19353 B11R1.39 COC(=O)CN1CC[C@@H](C1)F 269982a_100015203821_100000747449 [0,1,0,1,0,0|2,0,0]=4 19354 B11R1.39 COC(=O)CN1CC[C@@H](C1)F 34a_100015203821_100000747449 [0,1,0,1,0,0|2,0,0]=4 19355 B11R1.39 COC(=O)CN1CC[C@H](C1)C 2230a_100016987628_100000747449 [0,1,0,1,0,0|2,0,0]=4 19356 B11R1.39 COC(=O)CN1CC[C@H](C1)C 269982a_100016987628_100000747449 [0,1,0,1,0,0|2,0,0]=4 19357 B11R1.39 COC(=O)CN1CC[C@H](C1)C 34a_100016987628_100000747449 [0,1,0,1,0,0|2,0,0]=4 19358 B11R1.39 COC(=O)C[C@H]1CCN(C1)C 2230a_100020634416_200000210301 [0,1,0,1,0,0|2,0,0]=4 19359 B11R1.39 COC(=O)C[C@H]1CCN(C1)C 269982a_100020634416_200000210301 [0,1,0,1,0,0|2,0,0]=4 19360 B11R1.39 COC(=O)C[C@H]1CCN(C1)[13CH3] 2230a_100020634416_200025704644 [0,1,0,1,0,0|2,0,0]=4 19361 B11R1.39 COC(=O)C[C@H]1CCN(C1)[13CH3] 269982a_100020634416_200025704644 [0,1,0,1,0,0|2,0,0]=4 19362 B11R1.39 O=C(CO)N[C@H]1CC[C@H](C1)O 240690a_100015195300_100000210174 [0,1,0,1,0,0|2,0,0]=4 19363 B11R1.40 C#CC(=O)CC1CCCCC1 1458a_100000211873_100000211423 [0,1,0,1,0,0|0,0,2]=4 19364 B11R1.40 C#CC(=O)CC1CCCCO1 1458a_100000211873_100000211543 [0,1,0,1,0,0|0,0,2]=4 19365 B11R1.40 C#CC(=O)CC1CCCOC1 1458a_100000211873_100000741521 [0,1,0,1,0,0|0,0,2]=4 19366 B11R1.40 C#CC(=O)CC1CCOCC1 1458a_100000211873_100000754603 [0,1,0,1,0,0|0,0,2]=4 19367 B11R1.40 C=CC(=O)CC1CCCCC1 1458a_100000185746_100000211423 [0,1,0,1,0,0|0,0,2]=4 19368 B11R1.40 C=CC(=O)CC1CCCCO1 1458a_100000185746_100000211543 [0,1,0,1,0,0|0,0,2]=4 19369 B11R1.40 C=CC(=O)CC1CCCOC1 1458a_100000185746_100000741521 [0,1,0,1,0,0|0,0,2]=4 19370 B11R1.40 C=CC(=O)CC1CCOCC1 1458a_100000185746_100000754603 [0,1,0,1,0,0|0,0,2]=4 19371 B11R1.40 C=CC(=O)NC1CCCCC1 1626a_100000182618_100000185746 [0,1,0,1,0,0|0,0,2]=4 19372 B11R1.40 C=CC(=O)NC1CCCCC1 240690a_100000182618_200121576911 [0,1,0,1,0,0|0,0,2]=4 19373 B11R1.40 CCC(=O)C=C1CCCCC1 1458a_100000743792_100000210202 [0,1,0,1,0,0|0,0,1]=3 19374 B11R1.40 CCC(=O)C=C1CCOCC1 1458a_100000761426_100000210202 [0,1,0,1,0,0|0,0,2]=4 19375 B11R1.40 CCC(=O)CC1=CCCCC1 1458a_100000039269_100000210202 [0,1,0,1,0,0|0,0,1]=3 19376 B11R1.40 CCC(=O)CC1CCCCC1 1458a_100000210414_100000211423 [0,1,0,1,0,0|0,0,0]=2 19377 B11R1.40 CCC(=O)CC1CCCCC1 1458a_100000211666_100000210202 [0,1,0,1,0,0|0,0,0]=2 19378 B11R1.40 CCC(=O)CC1CCCCO1 1458a_100000210414_100000211543 [0,1,0,1,0,0|0,0,0]=2 19379 B11R1.40 CCC(=O)CC1CCCCO1 1458a_100000238585_100000210202 [0,1,0,1,0,0|0,0,0]=2 19380 B11R1.40 CCC(=O)CC1CCCOC1 1458a_100000210414_100000741521 [0,1,0,1,0,0|0,0,0]=2 19381 B11R1.40 CCC(=O)CC1CCCOC1 1458a_100000741523_100000210202 [0,1,0,1,0,0|0,0,0]=2 19382 B11R1.40 CCC(=O)CC1CCOCC1 1458a_100000210414_100000754603 [0,1,0,1,0,0|0,0,0]=2 19383 B11R1.40 CCC(=O)CC1CCOCC1 1458a_100000757261_100000210202 [0,1,0,1,0,0|0,0,0]=2 19384 B11R1.40 CCC(=O)CN1CC=CCC1 269982a_100000698166_100000747405 [0,1,0,1,0,0|0,0,2]=4 19385 B11R1.40 CCC(=O)CN1CCCCC1 1458a_100000740322_100000210202 [0,1,0,1,0,0|0,0,0]=2 19386 B11R1.40 CCC(=O)CN1CCCOC1 269982a_100000131196_100000747405 [0,1,0,1,0,0|1,0,0]=3 19387 B11R1.40 CCC(=O)CN1CCOCC1 1458a_100000740321_100000210202 [0,1,0,1,0,0|1,0,0]=3 19388 B11R1.40 CCC(=O)CN1CCOCC1 269982a_100015191051_100000747405 [0,1,0,1,0,0|1,0,0]=3 19389 B11R1.40 CCC(=O)CN1CCSCC1 269982a_100000737611_100000747405 [0,1,0,1,0,0|1,0,0]=3 19390 B11R1.40 CCC(=O)NC1CCCCC1 11a_100000182618_100000210414 [0,1,0,1,0,0|0,0,0]=2 19391 B11R1.40 CCC(=O)NC1CCCCC1 1626a_100000182618_100000210414 [0,1,0,1,0,0|0,0,0]=2 19392 B11R1.40 CCC(=O)NC1CCCCC1 240690a_100000182618_100000210414 [0,1,0,1,0,0|0,0,0]=2 19393 B11R1.40 CCC(=O)NC1CCCCC1 527a_100000182618_100000210414 [0,1,0,1,0,0|0,0,0]=2 19394 B11R1.40 CCC(=O)NC1CCCOC1 11a_100000719290_100000210414 [0,1,0,1,0,0|1,0,0]=3 19395 B11R1.40 CCC(=O)NC1CCCOC1 1626a_100000719290_100000210414 [0,1,0,1,0,0|1,0,0]=3 19396 B11R1.40 CCC(=O)NC1CCCOC1 240690a_100000719290_100000210414 [0,1,0,1,0,0|1,0,0]=3 19397 B11R1.40 CCC(=O)NC1CCCOC1 527a_100000719290_100000210414 [0,1,0,1,0,0|1,0,0]=3 19398 B11R1.40 CCC(=O)NC1CCOCC1 11a_100000741149_100000210414 [0,1,0,1,0,0|1,0,0]=3 19399 B11R1.40 CCC(=O)NC1CCOCC1 1626a_100000741149_100000210414 [0,1,0,1,0,0|1,0,0]=3 19400 B11R1.40 CCC(=O)NC1CCOCC1 240690a_100000741149_100000210414 [0,1,0,1,0,0|1,0,0]=3 19401 B11R1.40 CCC(=O)NC1CCOCC1 527a_100000741149_100000210414 [0,1,0,1,0,0|1,0,0]=3 19402 B11R1.40 CCC(=O)NC1CCSCC1 11a_100000748639_100000210414 [0,1,0,1,0,0|1,0,0]=3 19403 B11R1.40 CCC(=O)NC1CCSCC1 1626a_100000748639_100000210414 [0,1,0,1,0,0|1,0,0]=3 19404 B11R1.40 CCC(=O)NC1CCSCC1 240690a_100000748639_100000210414 [0,1,0,1,0,0|1,0,0]=3 19405 B11R1.40 CCC(=O)NC1CCSCC1 527a_100000748639_100000210414 [0,1,0,1,0,0|1,0,0]=3 19406 B11R1.40 CCC(C)NC1CCCCC1 2230a_100000182618_100000758301 [0,1,0,1,0,0|1,0,1]=4 19407 B11R1.40 CCC(C)NC1CCCCC1 270004a_100000209981_100000210434 [0,1,0,1,0,0|1,0,1]=4 19408 B11R1.40 CCC(C)NC1CCCCC1 34a_100000182618_100011215416 [0,1,0,1,0,0|1,0,1]=4 19409 B11R1.40 CCC(C)OC1CCCCC1 34a_100000210231_100011215416 [0,1,0,1,0,0|1,0,1]=4 19410 B11R1.40 CCC(C)OC1CCCCC1 7a_100000210228_100000210327 [0,1,0,1,0,0|1,0,1]=4 19411 B11R1.40 CCC(C)OC1CCCCC1 7a_100000210231_100000758301 [0,1,0,1,0,0|1,0,1]=4 19412 B11R1.40 CCC(C)SC1CCCCC1 62a_100000210327_100000758301 [0,1,0,1,0,0|1,0,1]=4 19413 B11R1.40 CCC(C)SC1CCCCC1 62a_100000758301_100000210327 [0,1,0,1,0,0|1,0,1]=4 19414 B11R1.40 CCN(C)CC1CCCCC1 2230a_100000225621_100000211423 [0,1,0,1,0,0|2,0,0]=4 19415 B11R1.40 CCN(C)CC1CCCCC1 2230a_100000736448_100000210202 [0,1,0,1,0,0|2,0,0]=4 19416 B11R1.40 CCN(C)CC1CCCCC1 269982a_100000225621_100000211423 [0,1,0,1,0,0|2,0,0]=4 19417 B11R1.40 CCN(C)CC1CCCCC1 269982a_100000736448_100000204670 [0,1,0,1,0,0|2,0,0]=4 19418 B11R1.40 CCN(C)CC1CCCCC1 34a_100000736448_100000210202 [0,1,0,1,0,0|2,0,0]=4 19419 B11R1.40 CCN(C)CC1CCCCO1 2230a_100000225621_100000211543 [0,1,0,1,0,0|2,0,0]=4 19420 B11R1.40 CCN(C)CC1CCCCO1 2230a_100000225654_100000210202 [0,1,0,1,0,0|2,0,0]=4 19421 B11R1.40 CCN(C)CC1CCCCO1 2230a_100015185122_200000210301 [0,1,0,1,0,0|2,0,0]=4 19422 B11R1.40 CCN(C)CC1CCCCO1 269982a_100000225621_100000211543 [0,1,0,1,0,0|2,0,0]=4 19423 B11R1.40 CCN(C)CC1CCCCO1 269982a_100000225654_100000204670 [0,1,0,1,0,0|2,0,0]=4 19424 B11R1.40 CCN(C)CC1CCCCO1 269982a_100015185122_200000210301 [0,1,0,1,0,0|2,0,0]=4 19425 B11R1.40 CCN(C)CC1CCCCO1 34a_100000225654_100000210202 [0,1,0,1,0,0|2,0,0]=4 19426 B11R1.40 CCN(C)CC1CCCCO1 34a_100015185122_200000210301 [0,1,0,1,0,0|2,0,0]=4 19427 B11R1.40 CCN(C)CC1CCCOC1 2230a_100000225621_100000741521 [0,1,0,1,0,0|2,0,0]=4 19428 B11R1.40 CCN(C)CC1CCCOC1 269982a_100000225621_100000741521 [0,1,0,1,0,0|2,0,0]=4 19429 B11R1.40 CCN(C)CC1CCOCC1 2230a_100000225621_100000754603 [0,1,0,1,0,0|2,0,0]=4 19430 B11R1.40 CCN(C)CC1CCOCC1 2230a_100011439692_200000210301 [0,1,0,1,0,0|2,0,0]=4 19431 B11R1.40 CCN(C)CC1CCOCC1 2230a_100025706683_100000210202 [0,1,0,1,0,0|2,0,0]=4 19432 B11R1.40 CCN(C)CC1CCOCC1 269982a_100000225621_100000754603 [0,1,0,1,0,0|2,0,0]=4 19433 B11R1.40 CCN(C)CC1CCOCC1 269982a_100011439692_200000210301 [0,1,0,1,0,0|2,0,0]=4 19434 B11R1.40 CCN(C)CC1CCOCC1 269982a_100025706683_100000204670 [0,1,0,1,0,0|2,0,0]=4 19435 B11R1.40 CCN(C)CC1CCOCC1 34a_100011439692_200000210301 [0,1,0,1,0,0|2,0,0]=4 19436 B11R1.40 CCN(C)CC1CCOCC1 34a_100025706683_100000210202 [0,1,0,1,0,0|2,0,0]=4 19437 B11R1.40 CCN(C)CC1CCSCC1 2230a_100011935259_100000210202 [0,1,0,1,0,0|2,0,0]=4 19438 B11R1.40 CCN(C)CC1CCSCC1 269982a_100011935259_100000204670 [0,1,0,1,0,0|2,0,0]=4 19439 B11R1.40 CCN(C)CC1CCSCC1 34a_100011935259_100000210202 [0,1,0,1,0,0|2,0,0]=4 19440 B11R1.40 CCN([13CH3])CC1CCCCO1 2230a_100015185122_200025704644 [0,1,0,1,0,0|2,0,0]=4 19441 B11R1.40 CCN([13CH3])CC1CCCCO1 269982a_100015185122_200025704644 [0,1,0,1,0,0|2,0,0]=4 19442 B11R1.40 CCN([13CH3])CC1CCCCO1 34a_100015185122_200025704644 [0,1,0,1,0,0|2,0,0]=4 19443 B11R1.40 CCN([13CH3])CC1CCOCC1 2230a_100011439692_200025704644 [0,1,0,1,0,0|2,0,0]=4 19444 B11R1.40 CCN([13CH3])CC1CCOCC1 269982a_100011439692_200025704644 [0,1,0,1,0,0|2,0,0]=4 19445 B11R1.40 CCN([13CH3])CC1CCOCC1 34a_100011439692_200025704644 [0,1,0,1,0,0|2,0,0]=4 19446 B11R1.40 CNC(=O)C=C1CCCCC1 11a_106832991635_100000743792 [0,1,0,1,0,0|1,0,1]=4 19447 B11R1.40 CNC(=O)C=C1CCCCC1 1626a_100102657272_100000743792 [0,1,0,1,0,0|1,0,1]=4 19448 B11R1.40 CNC(=O)C=C1CCCCC1 240690a_100102657272_100000743792 [0,1,0,1,0,0|1,0,1]=4 19449 B11R1.40 CNC(=O)CC1=CCCCC1 11a_106832991635_100000039269 [0,1,0,1,0,0|1,0,1]=4 19450 B11R1.40 CNC(=O)CC1=CCCCC1 1626a_100102657272_100000039269 [0,1,0,1,0,0|1,0,1]=4 19451 B11R1.40 CNC(=O)CC1=CCCCC1 240690a_100102657272_100000039269 [0,1,0,1,0,0|1,0,1]=4 19452 B11R1.40 CNC(=O)CC1=CCCCC1 527a_100102657272_100000039269 [0,1,0,1,0,0|1,0,1]=4 19453 B11R1.40 CNC(=O)CC1CCCCC1 11a_106832991635_100000211666 [0,1,0,1,0,0|1,0,0]=3 19454 B11R1.40 CNC(=O)CC1CCCCC1 1626a_100102657272_100000211666 [0,1,0,1,0,0|1,0,0]=3 19455 B11R1.40 CNC(=O)CC1CCCCC1 240690a_100102657272_100000211666 [0,1,0,1,0,0|1,0,0]=3 19456 B11R1.40 CNC(=O)CC1CCCCC1 527a_100102657272_100000211666 [0,1,0,1,0,0|1,0,0]=3 19457 B11R1.40 CNC(=O)CC1CCCCO1 11a_106832991635_100000238585 [0,1,0,1,0,0|1,0,0]=3 19458 B11R1.40 CNC(=O)CC1CCCCO1 1626a_100102657272_100000238585 [0,1,0,1,0,0|1,0,0]=3 19459 B11R1.40 CNC(=O)CC1CCCCO1 240690a_100102657272_100000238585 [0,1,0,1,0,0|1,0,0]=3 19460 B11R1.40 CNC(=O)CC1CCCCO1 527a_100102657272_100000238585 [0,1,0,1,0,0|1,0,0]=3 19461 B11R1.40 CNC(=O)CC1CCCOC1 11a_106832991635_100000741523 [0,1,0,1,0,0|1,0,0]=3 19462 B11R1.40 CNC(=O)CC1CCCOC1 1626a_100102657272_100000741523 [0,1,0,1,0,0|1,0,0]=3 19463 B11R1.40 CNC(=O)CC1CCCOC1 240690a_100102657272_100000741523 [0,1,0,1,0,0|1,0,0]=3 19464 B11R1.40 CNC(=O)CC1CCCOC1 527a_100102657272_100000741523 [0,1,0,1,0,0|1,0,0]=3 19465 B11R1.40 CNC(=O)CC1CCOCC1 11a_106832991635_100000757261 [0,1,0,1,0,0|1,0,0]=3 19466 B11R1.40 CNC(=O)CC1CCOCC1 1626a_100102657272_100000757261 [0,1,0,1,0,0|1,0,0]=3 19467 B11R1.40 CNC(=O)CC1CCOCC1 240690a_100102657272_100000757261 [0,1,0,1,0,0|1,0,0]=3 19468 B11R1.40 CNC(=O)CC1CCOCC1 527a_100102657272_100000757261 [0,1,0,1,0,0|1,0,0]=3 19469 B11R1.40 CNC(=O)CN1CCCCC1 11a_106832991635_100000740322 [0,1,0,1,0,0|1,0,0]=3 19470 B11R1.40 CNC(=O)CN1CCCCC1 240690a_100102657272_100000740322 [0,1,0,1,0,0|1,0,0]=3 19471 B11R1.40 CNC(=O)CN1CCCCC1 527a_100102657272_100000740322 [0,1,0,1,0,0|1,0,0]=3 19472 B11R1.40 CNC(=O)CN1CCCOC1 2230a_100000131196_100000183359 [0,1,0,1,0,0|2,0,0]=4 19473 B11R1.40 CNC(=O)CN1CCCOC1 269982a_100000131196_100000183359 [0,1,0,1,0,0|2,0,0]=4 19474 B11R1.40 CNC(=O)CN1CCCOC1 34a_100000131196_100000183359 [0,1,0,1,0,0|2,0,0]=4 19475 B11R1.40 CNC(=O)CN1CCOCC1 11a_106832991635_100000740321 [0,1,0,1,0,0|2,0,0]=4 19476 B11R1.40 CNC(=O)CN1CCOCC1 2230a_100015191051_100000183359 [0,1,0,1,0,0|2,0,0]=4 19477 B11R1.40 CNC(=O)CN1CCOCC1 240690a_100102657272_100000740321 [0,1,0,1,0,0|2,0,0]=4 19478 B11R1.40 CNC(=O)CN1CCOCC1 269982a_100015191051_100000183359 [0,1,0,1,0,0|2,0,0]=4 19479 B11R1.40 CNC(=O)CN1CCOCC1 34a_100015191051_100000183359 [0,1,0,1,0,0|2,0,0]=4 19480 B11R1.40 CNC(=O)CN1CCOCC1 527a_100102657272_100000740321 [0,1,0,1,0,0|2,0,0]=4 19481 B11R1.40 CNC(=O)CN1CCSCC1 2230a_100000737611_100000183359 [0,1,0,1,0,0|2,0,0]=4 19482 B11R1.40 CNC(=O)CN1CCSCC1 269982a_100000737611_100000183359 [0,1,0,1,0,0|2,0,0]=4 19483 B11R1.40 CNC(=O)NC1CCCCC1 2708a_100000182618_106832991635 [0,1,0,1,0,0|1,0,0]=3 19484 B11R1.40 CNC(=O)NC1CCCCC1 2708a_100102657272_100000182618 [0,1,0,1,0,0|1,0,0]=3 19485 B11R1.40 CNC(=O)NC1CCCCC1 273464a_100000182618_100102657272 [0,1,0,1,0,0|1,0,0]=3 19486 B11R1.40 CNC(=O)NC1CCCCC1 273464a_100102657272_100000182618 [0,1,0,1,0,0|1,0,0]=3 19487 B11R1.40 CNC(=O)NC1CCCOC1 2708a_100000719290_106832991635 [0,1,0,1,0,0|2,0,0]=4 19488 B11R1.40 CNC(=O)NC1CCCOC1 2708a_100102657272_100000719290 [0,1,0,1,0,0|2,0,0]=4 19489 B11R1.40 CNC(=O)NC1CCCOC1 273464a_100000719290_100102657272 [0,1,0,1,0,0|2,0,0]=4 19490 B11R1.40 CNC(=O)NC1CCCOC1 273464a_100102657272_100000719290 [0,1,0,1,0,0|2,0,0]=4 19491 B11R1.40 CNC(=O)NC1CCCOC1 512a_100000719290_100102657272 [0,1,0,1,0,0|2,0,0]=4 19492 B11R1.40 CNC(=O)NC1CCCOC1 512a_106832991638_100000719290 [0,1,0,1,0,0|2,0,0]=4 19493 B11R1.40 CNC(=O)NC1CCOCC1 2708a_100000741149_106832991635 [0,1,0,1,0,0|2,0,0]=4 19494 B11R1.40 CNC(=O)NC1CCOCC1 2708a_100102657272_100000741149 [0,1,0,1,0,0|2,0,0]=4 19495 B11R1.40 CNC(=O)NC1CCOCC1 273464a_100000741149_100102657272 [0,1,0,1,0,0|2,0,0]=4 19496 B11R1.40 CNC(=O)NC1CCOCC1 273464a_100102657272_100000741149 [0,1,0,1,0,0|2,0,0]=4 19497 B11R1.40 CNC(=O)NC1CCOCC1 512a_100000741149_100102657272 [0,1,0,1,0,0|2,0,0]=4 19498 B11R1.40 CNC(=O)NC1CCOCC1 512a_106832991638_100000741149 [0,1,0,1,0,0|2,0,0]=4 19499 B11R1.40 CNC(=O)NC1CCSCC1 2708a_100000748639_106832991635 [0,1,0,1,0,0|2,0,0]=4 19500 B11R1.40 CNC(=O)NC1CCSCC1 2708a_100102657272_100000748639 [0,1,0,1,0,0|2,0,0]=4 19501 B11R1.40 CNC(=O)NC1CCSCC1 273464a_100000748639_100102657272 [0,1,0,1,0,0|2,0,0]=4 19502 B11R1.40 CNC(=O)NC1CCSCC1 273464a_100102657272_100000748639 [0,1,0,1,0,0|2,0,0]=4 19503 B11R1.40 CNC(=O)NC1CCSCC1 512a_100000748639_100102657272 [0,1,0,1,0,0|2,0,0]=4 19504 B11R1.40 CNC(=O)NC1CCSCC1 512a_106832991638_100000748639 [0,1,0,1,0,0|2,0,0]=4 19505 B11R1.40 COC(=O)CN1CCCOC1 2230a_100000131196_100000747449 [0,1,0,1,0,0|2,0,0]=4 19506 B11R1.40 COC(=O)CN1CCCOC1 269982a_100000131196_100000747449 [0,1,0,1,0,0|2,0,0]=4 19507 B11R1.40 COC(=O)CN1CCCOC1 34a_100000131196_100000747449 [0,1,0,1,0,0|2,0,0]=4 19508 B11R1.40 COC(=O)CN1CCOCC1 2230a_100015191051_100000747449 [0,1,0,1,0,0|2,0,0]=4 19509 B11R1.40 COC(=O)CN1CCOCC1 269982a_100015191051_100000747449 [0,1,0,1,0,0|2,0,0]=4 19510 B11R1.40 COC(=O)CN1CCOCC1 34a_100015191051_100000747449 [0,1,0,1,0,0|2,0,0]=4 19511 B11R1.40 COC(=O)CN1CCSCC1 2230a_100000737611_100000747449 [0,1,0,1,0,0|2,0,0]=4 19512 B11R1.40 COC(=O)CN1CCSCC1 269982a_100000737611_100000747449 [0,1,0,1,0,0|2,0,0]=4 19513 B11R1.40 O=C(C=C1CCCCC1)CF 1458a_100000743792_100015361967 [0,1,0,1,0,0|1,0,1]=4 19514 B11R1.40 O=C(CF)CC1=CCCCC1 1458a_100000039269_100015361967 [0,1,0,1,0,0|1,0,1]=4 19515 B11R1.40 O=C(CF)CC1CCCCC1 1458a_100000211666_100015361967 [0,1,0,1,0,0|1,0,0]=3 19516 B11R1.40 O=C(CF)CC1CCCCO1 1458a_100000238585_100015361967 [0,1,0,1,0,0|1,0,0]=3 19517 B11R1.40 O=C(CF)CC1CCCOC1 1458a_100000741523_100015361967 [0,1,0,1,0,0|1,0,0]=3 19518 B11R1.40 O=C(CF)CC1CCOCC1 1458a_100000757261_100015361967 [0,1,0,1,0,0|1,0,0]=3 19519 B11R1.40 O=C(CF)CN1CCCCC1 1458a_100000740322_100015361967 [0,1,0,1,0,0|1,0,0]=3 19520 B11R1.40 O=C(CF)CN1CCOCC1 1458a_100000740321_100015361967 [0,1,0,1,0,0|2,0,0]=4 19521 B11R1.40 O=C(CO)CC1CCCCC1 1458a_100000210174_100000211423 [0,1,0,1,0,0|1,0,0]=3 19522 B11R1.40 O=C(CO)CC1CCCCO1 1458a_100000210174_100000211543 [0,1,0,1,0,0|1,0,0]=3 19523 B11R1.40 O=C(CO)CC1CCCOC1 1458a_100000210174_100000741521 [0,1,0,1,0,0|1,0,0]=3 19524 B11R1.40 O=C(CO)CC1CCOCC1 1458a_100000210174_100000754603 [0,1,0,1,0,0|1,0,0]=3 19525 B11R1.40 O=C(CO)NC1CCCCC1 240690a_100000182618_100000210174 [0,1,0,1,0,0|1,0,0]=3 19526 B11R1.40 O=C(CO)NC1CCCCC1 527a_100000182618_100000210174 [0,1,0,1,0,0|1,0,0]=3 19527 B11R1.40 O=C(CO)NC1CCCOC1 240690a_100000719290_100000210174 [0,1,0,1,0,0|2,0,0]=4 19528 B11R1.40 O=C(CO)NC1CCCOC1 527a_100000719290_100000210174 [0,1,0,1,0,0|2,0,0]=4 19529 B11R1.40 O=C(CO)NC1CCOCC1 240690a_100000741149_100000210174 [0,1,0,1,0,0|2,0,0]=4 19530 B11R1.40 O=C(CO)NC1CCOCC1 527a_100000741149_100000210174 [0,1,0,1,0,0|2,0,0]=4 19531 B11R1.40 O=C(CO)NC1CCSCC1 240690a_100000748639_100000210174 [0,1,0,1,0,0|2,0,0]=4 19532 B11R1.40 O=C(CO)NC1CCSCC1 527a_100000748639_100000210174 [0,1,0,1,0,0|2,0,0]=4 19533 B11R1.196 CC(NC(=O)CO)C1CCC1 240690a_100016994624_100000210174 [0,1,0,1,0,0|2,0,0]=4 19534 B11R1.196 CC(NC(=O)CO)C1CCC1 527a_100016994624_100000210174 [0,1,0,1,0,0|2,0,0]=4 19535 B11R1.196 CCC(=O)CC(=O)C1CCC1 1458a_100000209988_100000747405 [0,1,0,1,0,0|0,0,1]=3 19536 B11R1.196 CCC(=O)CC(=O)C1CCC1 1458a_100000210414_100000686122 [0,1,0,1,0,0|0,0,1]=3 19537 B11R1.196 CCC(=O)CC(=O)C1CCO1 1458a_100000089072_100000747405 [0,1,0,1,0,0|1,0,1]=4 19538 B11R1.196 CCC(=O)CC(=O)C1COC1 1458a_100000758290_100000747405 [0,1,0,1,0,0|1,0,1]=4 19539 B11R1.196 CCC(=O)CC(=O)N1CCC1 1458a_100000210414_100000185095 [0,1,0,1,0,0|1,0,1]=4 19540 B11R1.196 CCC(=O)CN(C)C1CCC1 269982a_100000758072_100000747405 [0,1,0,1,0,0|1,0,0]=3 19541 B11R1.196 CCC(=O)CN(C)C1COC1 269982a_100102693430_100000747405 [0,1,0,1,0,0|2,0,0]=4 19542 B11R1.196 CCC(=O)NC(C)C1CCC1 11a_100016994624_100000210414 [0,1,0,1,0,0|1,0,0]=3 19543 B11R1.196 CCC(=O)NC(C)C1CCC1 1626a_100016994624_100000210414 [0,1,0,1,0,0|1,0,0]=3 19544 B11R1.196 CCC(=O)NC(C)C1CCC1 240690a_100016994624_100000210414 [0,1,0,1,0,0|1,0,0]=3 19545 B11R1.196 CCC(=O)NC(C)C1CCC1 527a_100016994624_100000210414 [0,1,0,1,0,0|1,0,0]=3 19546 B11R1.196 CNC(=O)CC(=O)C1CCC1 1458a_100000209988_100000183359 [0,1,0,1,0,0|1,0,1]=4 19547 B11R1.196 CNC(=O)CN(C)C1CCC1 2230a_100000758072_100000183359 [0,1,0,1,0,0|2,0,0]=4 19548 B11R1.196 CNC(=O)CN(C)C1CCC1 269982a_100000758072_100000183359 [0,1,0,1,0,0|2,0,0]=4 19549 B11R1.196 CNC(=O)CN(C)C1CCC1 270004a_100000189611_100000241760 [0,1,0,1,0,0|2,0,0]=4 19550 B11R1.196 CNC(=O)CN(C)C1CCC1 34a_100000758072_100000183359 [0,1,0,1,0,0|2,0,0]=4 19551 B11R1.196 CNC(=O)NC(C)C1CCC1 2708a_100016994624_106832991635 [0,1,0,1,0,0|2,0,0]=4 19552 B11R1.196 CNC(=O)NC(C)C1CCC1 2708a_100102657272_100016994624 [0,1,0,1,0,0|2,0,0]=4 19553 B11R1.196 CNC(=O)NC(C)C1CCC1 273464a_100016994624_100102657272 [0,1,0,1,0,0|2,0,0]=4 19554 B11R1.196 CNC(=O)NC(C)C1CCC1 273464a_100102657272_100016994624 [0,1,0,1,0,0|2,0,0]=4 19555 B11R1.196 CNC(=O)NC(C)C1CCC1 512a_100016994624_100102657272 [0,1,0,1,0,0|2,0,0]=4 19556 B11R1.196 CNC(=O)NC(C)C1CCC1 512a_106832991638_100016994624 [0,1,0,1,0,0|2,0,0]=4 19557 B11R1.196 COC(=O)CC(=O)C1CCC1 1458a_100000209988_100000747449 [0,1,0,1,0,0|1,0,1]=4 19558 B11R1.196 COC(=O)CC(=O)C1CCC1 1458a_100000211351_100000749161 [0,1,0,1,0,0|1,0,1]=4 19559 B11R1.196 COC(=O)CC(C)N1CCC1 269982a_100000754969_100009817358 [0,1,0,1,0,0|2,0,0]=4 19560 B11R1.196 COC(=O)CN(C)C1CCC1 2230a_100000758072_100000747449 [0,1,0,1,0,0|2,0,0]=4 19561 B11R1.196 COC(=O)CN(C)C1CCC1 269982a_100000758072_100000747449 [0,1,0,1,0,0|2,0,0]=4 19562 B11R1.196 COC(=O)CN(C)C1CCC1 270004a_100000198492_100000241760 [0,1,0,1,0,0|2,0,0]=4 19563 B11R1.196 COC(=O)CN(C)C1CCC1 34a_100000758072_100000747449 [0,1,0,1,0,0|2,0,0]=4 19564 B11R1.196 O=C(CO)CC(=O)C1CCC1 1458a_100000210174_100000686122 [0,1,0,1,0,0|1,0,1]=4 19565 B11R1.198 CCC(=O)CC(=O)CC1CC1 1458a_100000738066_100000747405 [0,1,0,1,0,0|0,0,1]=3 19566 B11R1.198 CCC(=O)CC(=O)NC1CC1 1458a_100000210414_100000182950 [0,1,0,1,0,0|1,0,1]=4 19567 B11R1.198 CCC(=O)CN(C)CC1CC1 269982a_100000741881_100000747405 [0,1,0,1,0,0|1,0,0]=3 19568 B11R1.198 CCC(=O)CS(=O)CC1CC1 1458a_100011387478_100000210202 [0,1,0,1,0,0|1,0,0]=3 19569 B11R1.198 CNC(=O)CC(=O)CC1CC1 1458a_100000738066_100000183359 [0,1,0,1,0,0|1,0,1]=4 19570 B11R1.198 CNC(=O)CN(C)CC1CC1 2230a_100000189611_100000742324 [0,1,0,1,0,0|2,0,0]=4 19571 B11R1.198 CNC(=O)CN(C)CC1CC1 2230a_100000741881_100000183359 [0,1,0,1,0,0|2,0,0]=4 19572 B11R1.198 CNC(=O)CN(C)CC1CC1 269982a_100000741881_100000183359 [0,1,0,1,0,0|2,0,0]=4 19573 B11R1.198 CNC(=O)CS(=O)CC1CC1 11a_106832991635_100011387478 [0,1,0,1,0,0|2,0,0]=4 19574 B11R1.198 CNC(=O)CS(=O)CC1CC1 1626a_100102657272_100011387478 [0,1,0,1,0,0|2,0,0]=4 19575 B11R1.198 CNC(=O)CS(=O)CC1CC1 240690a_100102657272_100011387478 [0,1,0,1,0,0|2,0,0]=4 19576 B11R1.198 COC(=O)CC(=O)CC1CC1 1458a_100000211351_100000742324 [0,1,0,1,0,0|1,0,1]=4 19577 B11R1.198 COC(=O)CC(=O)CC1CC1 1458a_100000738066_100000747449 [0,1,0,1,0,0|1,0,1]=4 19578 B11R1.198 COC(=O)CC(C)NC1CC1 34a_100000212008_100009817358 [0,1,0,1,0,0|2,0,0]=4 19579 B11R1.198 COC(=O)CC(C)SC1CC1 62a_100009817358_100000211595 [0,1,0,1,0,0|2,0,0]=4 19580 B11R1.198 COC(=O)CN(C)CC1CC1 2230a_100000198492_100000742324 [0,1,0,1,0,0|2,0,0]=4 19581 B11R1.198 COC(=O)CN(C)CC1CC1 2230a_100000741881_100000747449 [0,1,0,1,0,0|2,0,0]=4 19582 B11R1.198 COC(=O)CN(C)CC1CC1 269982a_100000741881_100000747449 [0,1,0,1,0,0|2,0,0]=4 19583 B11R1.198 O=C(CF)CS(=O)CC1CC1 1458a_100011387478_100015361967 [0,1,0,1,0,0|2,0,0]=4 19584 B11R1.214 CCCNC1CCC(C1)CC 270004a_100020643023_100011218773 [0,1,0,1,0,0|1,0,1]=4 19585 B11R1.214 CCCNC1CCN(C1)CC 2230a_100015188829_100000210303 [0,1,0,1,0,0|2,0,0]=4 19586 B11R1.214 CCCSC1CCN(C1)CC 62a_100000210303_200011861547 [0,1,0,1,0,0|2,0,0]=4 19587 B11R1.214 CCNCC1CC(=NO1)CC 2230a_100015184091_100000210202 [0,1,0,1,0,0|1,0,1]=4 19588 B11R1.214 CCNCC1CCN(C1)CC 2230a_100011224064_100000210202 [0,1,0,1,0,0|2,0,0]=4 19589 B11R1.214 CCNCC1CCN(C1)CC 2230a_100015525214_100015184589 [0,1,0,1,0,0|2,0,0]=4 19590 B11R1.214 CCOCC1CC(=NO1)CC 34a_100121572206_200009817039 [0,1,0,1,0,0|1,0,1]=4 19591 B11R1.214 CCSCC1CC(=NO1)CC 62a_100000210202_200009817039 [0,1,0,1,0,0|1,0,1]=4 19592 B11R1.214 CCSCC1CC(=NO1)CC 62a_200009817039_100000210202 [0,1,0,1,0,0|1,0,1]=4 19593 B11R1.214 CCSCC1CCN(C1)CC 62a_100000210202_100015184589 [0,1,0,1,0,0|2,0,0]=4 19594 B11R1.214 CCSCC1CCN(C1)CC 62a_100015184589_100000210202 [0,1,0,1,0,0|2,0,0]=4 19595 B11R1.218 CCCCN1CC1C(=O)OC 2230a_200009830135_100000210211 [0,1,0,1,0,0|1,0,0]=3 19596 B11R1.218 COC(=O)C1CN1CCCF 2230a_200009830135_100011934791 [0,1,0,1,0,0|2,0,0]=4 19597 B11R1.218 COC(=O)C1CN1CCCO 2230a_200009830135_100000230001 [0,1,0,1,0,0|2,0,0]=4 19598 B11R1.218 COC(=O)C1CN1CCSC 2230a_200009830135_100000751147 [0,1,0,1,0,0|2,0,0]=4 19599 B11R1.218 COCCN1CC1C(=O)OC 2230a_200009830135_100011201679 [0,1,0,1,0,0|2,0,0]=4 19600 B11R1.222 C=CC(=O)N1CCCCC1C 1626a_100000211376_100000185746 [0,1,0,1,0,0|0,0,2]=4 19601 B11R1.222 C=CC(=O)N1CCCCC1C 240690a_100000211376_200121576911 [0,1,0,1,0,0|0,0,2]=4 19602 B11R1.222 CC1CCCCC1C(=O)CF 1458a_100011215568_100015361967 [0,1,0,1,0,0|1,0,0]=3 19603 B11R1.222 CC1CCCCN1C(=O)CO 240690a_100000211376_100000210174 [0,1,0,1,0,0|1,0,0]=3 19604 B11R1.222 CC1CCCCN1C(=O)CO 527a_100000211376_100000210174 [0,1,0,1,0,0|1,0,0]=3 19605 B11R1.222 CCC(=O)C1CCCCC1=O 1458a_100000210414_100000204591 [0,1,0,1,0,0|0,0,1]=3 19606 B11R1.222 CCC(=O)C1CCCCC1C 1458a_100011215568_100000210202 [0,1,0,1,0,0|0,0,0]=2 19607 B11R1.222 CCC(=O)C1CCCCC1O 1458a_100011803323_100000210202 [0,1,0,1,0,0|0,0,0]=2 19608 B11R1.222 CCC(=O)C1CCCNC1=O 1458a_100000087122_100000210202 [0,1,0,1,0,0|1,0,1]=4 19609 B11R1.222 CCC(=O)C1CCCNC1=O 1458a_100000210414_100000687798 [0,1,0,1,0,0|1,0,1]=4 19610 B11R1.222 CCC(=O)C1COCCC1=O 1458a_100000210414_100012180262 [0,1,0,1,0,0|1,0,1]=4 19611 B11R1.222 CCC(=O)N1CCCCC1C 11a_100000211376_100000210414 [0,1,0,1,0,0|0,0,0]=2 19612 B11R1.222 CCC(=O)N1CCCCC1C 1626a_100000211376_100000210414 [0,1,0,1,0,0|0,0,0]=2 19613 B11R1.222 CCC(=O)N1CCCCC1C 240690a_100000211376_100000210414 [0,1,0,1,0,0|0,0,0]=2 19614 B11R1.222 CCC(=O)N1CCCCC1C 527a_100000211376_100000210414 [0,1,0,1,0,0|0,0,0]=2 19615 B11R1.222 CCC(=O)N1CCOC[C@@H]1C 11a_100009815349_100000210414 [0,1,0,1,0,0|1,0,0]=3 19616 B11R1.222 CCC(=O)N1CCOC[C@@H]1C 240690a_100009815349_100000210414 [0,1,0,1,0,0|1,0,0]=3 19617 B11R1.222 CCC(=O)N1CCOC[C@@H]1C 527a_100009815349_100000210414 [0,1,0,1,0,0|1,0,0]=3 19618 B11R1.222 CCC(=O)[C@H]1CCCCN1C 1458a_100000767060_100000210202 [0,1,0,1,0,0|0,0,0]=2 19619 B11R1.222 CCC(C)N1CCCCC1C 2230a_100000211376_100000758301 [0,1,0,1,0,0|1,0,1]=4 19620 B11R1.222 CCC(C)N1CCCCC1C 269982a_100000211376_100000758301 [0,1,0,1,0,0|1,0,1]=4 19621 B11R1.222 CCC(C)N1CCCCC1C 34a_100000211376_100011215416 [0,1,0,1,0,0|1,0,1]=4 19622 B11R1.222 CCN(C)C1CCCCC1F 269982a_100000225621_100015423560 [0,1,0,1,0,0|2,0,0]=4 19623 B11R1.222 CCN(C)C1CCCCC1O 269982a_100000225621_100000038908 [0,1,0,1,0,0|2,0,0]=4 19624 B11R1.222 CCN(C)[C@@H]1CCCC[C@H]1O 269982a_100000708425_100000204670 [0,1,0,1,0,0|2,0,0]=4 19625 B11R1.222 CN1CCCC[C@@H]1C(=O)CF 1458a_100000767060_100015361967 [0,1,0,1,0,0|1,0,0]=3 19626 B11R1.222 CNC(=O)C1CCCCC1C 11a_106832991635_100011215568 [0,1,0,1,0,0|1,0,0]=3 19627 B11R1.222 CNC(=O)C1CCCCC1C 1626a_100102657272_100011215568 [0,1,0,1,0,0|1,0,0]=3 19628 B11R1.222 CNC(=O)C1CCCCC1C 240690a_100102657272_100011215568 [0,1,0,1,0,0|1,0,0]=3 19629 B11R1.222 CNC(=O)C1CCCCC1C 527a_100102657272_100011215568 [0,1,0,1,0,0|1,0,0]=3 19630 B11R1.222 CNC(=O)C1CCCCN1C 2230a_100011209383_200000210301 [0,1,0,1,0,0|1,0,0]=3 19631 B11R1.222 CNC(=O)C1CCCCN1C 269982a_100011209383_200000210301 [0,1,0,1,0,0|1,0,0]=3 19632 B11R1.222 CNC(=O)C1CCCCN1C 34a_100011209383_200000210301 [0,1,0,1,0,0|1,0,0]=3 19633 B11R1.222 CNC(=O)C1CCCCN1[13CH3] 2230a_100011209383_200025704644 [0,1,0,1,0,0|1,0,0]=3 19634 B11R1.222 CNC(=O)C1CCCCN1[13CH3] 269982a_100011209383_200025704644 [0,1,0,1,0,0|1,0,0]=3 19635 B11R1.222 CNC(=O)C1CCCCN1[13CH3] 34a_100011209383_200025704644 [0,1,0,1,0,0|1,0,0]=3 19636 B11R1.222 CNC(=O)N1CCCCC1C 2708a_100102657272_100000211376 [0,1,0,1,0,0|1,0,0]=3 19637 B11R1.222 CNC(=O)N1CCCCC1C 273464a_100102657272_100000211376 [0,1,0,1,0,0|1,0,0]=3 19638 B11R1.222 CNC(=O)N1CCOC[C@@H]1C 2708a_100102657272_100009815349 [0,1,0,1,0,0|2,0,0]=4 19639 B11R1.222 CNC(=O)N1CCOC[C@@H]1C 273464a_100102657272_100009815349 [0,1,0,1,0,0|2,0,0]=4 19640 B11R1.222 CNC(=O)[C@H]1CCCCN1C 11a_106832991635_100000767060 [0,1,0,1,0,0|1,0,0]=3 19641 B11R1.222 CNC(=O)[C@H]1CCCCN1C 1626a_100102657272_100000767060 [0,1,0,1,0,0|1,0,0]=3 19642 B11R1.222 CNC(=O)[C@H]1CCCCN1C 240690a_100102657272_100000767060 [0,1,0,1,0,0|1,0,0]=3 19643 B11R1.222 CNC(=O)[C@H]1CCCCN1C 527a_100102657272_100000767060 [0,1,0,1,0,0|1,0,0]=3 19644 B11R1.222 COC(=O)C1CCCCN1C 2230a_100000734855_200000210301 [0,1,0,1,0,0|1,0,0]=3 19645 B11R1.222 COC(=O)C1CCCCN1C 269982a_100000734855_200000210301 [0,1,0,1,0,0|1,0,0]=3 19646 B11R1.222 COC(=O)C1CCCCN1C 34a_100000734855_200000210301 [0,1,0,1,0,0|1,0,0]=3 19647 B11R1.222 COC(=O)C1CCCCN1[13CH3] 2230a_100000734855_200025704644 [0,1,0,1,0,0|1,0,0]=3 19648 B11R1.222 COC(=O)C1CCCCN1[13CH3] 269982a_100000734855_200025704644 [0,1,0,1,0,0|1,0,0]=3 19649 B11R1.222 COC(=O)C1CCCCN1[13CH3] 34a_100000734855_200025704644 [0,1,0,1,0,0|1,0,0]=3 19650 B11R1.222 COC(=O)C1COCCN1C 2230a_100000765174_200000210301 [0,1,0,1,0,0|2,0,0]=4 19651 B11R1.222 COC(=O)C1COCCN1C 34a_100000765174_200000210301 [0,1,0,1,0,0|2,0,0]=4 19652 B11R1.222 COC(=O)C1COCCN1[13CH3] 2230a_100000765174_200025704644 [0,1,0,1,0,0|2,0,0]=4 19653 B11R1.222 COC(=O)C1COCCN1[13CH3] 34a_100000765174_200025704644 [0,1,0,1,0,0|2,0,0]=4 19654 B11R1.222 C[C@H]1COCCN1C(=O)CO 240690a_100009815349_100000210174 [0,1,0,1,0,0|2,0,0]=4 19655 B11R1.222 C[C@H]1COCCN1C(=O)CO 527a_100009815349_100000210174 [0,1,0,1,0,0|2,0,0]=4 19656 B11R1.222 O=C(CF)C1CCCCC1O 1458a_100011803323_100015361967 [0,1,0,1,0,0|1,0,0]=3 19657 B11R1.222 O=C(CO)C1CCCCC1=O 1458a_100000210174_100000204591 [0,1,0,1,0,0|1,0,1]=4 19658 B11R1.231 CCCNC1CC(=O)N(C1)C 2230a_100000748898_100000210303 [0,1,0,1,0,0|2,0,0]=4 19659 B11R1.231 CCCNC1CC(=O)N(C1)C 34a_100000748898_100000210303 [0,1,0,1,0,0|2,0,0]=4 19660 B11R1.231 CCOCC1CC(=O)N(C1)C 34a_100015185614_100000210202 [0,1,0,1,0,0|2,0,0]=4 19661 B11R1.264 CCC(=O)CN1CC(C1)CC 269982a_100015205115_100000747405 [0,1,0,1,0,0|1,0,0]=3 19662 B11R1.264 CCC(=O)CN1CC(C1)CF 269982a_100010363649_100000747405 [0,1,0,1,0,0|2,0,0]=4 19663 B11R1.264 CCC(=O)CN1CC(C1)CO 269982a_100016987283_100000747405 [0,1,0,1,0,0|2,0,0]=4 19664 B11R1.264 CCC(=O)CN1CC(C1)OC 269982a_100000755009_100000747405 [0,1,0,1,0,0|2,0,0]=4 19665 B11R1.264 CCC(=O)CN1CC(C1)SC 269982a_100016990038_100000747405 [0,1,0,1,0,0|2,0,0]=4 19666 B11R1.264 CCC(=O)NC1CC(C1)CO 240690a_100000095622_100000210414 [0,1,0,1,0,0|2,0,0]=4 19667 B11R1.264 CCC(=O)NC1CC(C1)CO 527a_100000095622_100000210414 [0,1,0,1,0,0|2,0,0]=4 19668 B11R1.264 CCC(=O)NC1CN(C1)CC 11a_200015199589_100000210414 [0,1,0,1,0,0|2,0,0]=4 19669 B11R1.264 CCC(=O)NC1CN(C1)CC 1626a_200015199589_100000210414 [0,1,0,1,0,0|2,0,0]=4 19670 B11R1.264 CCC(=O)NC1CN(C1)CC 240690a_200015199589_100000210414 [0,1,0,1,0,0|2,0,0]=4 19671 B11R1.264 CCC(=O)N[C@H]1C[C@@H](C1)OC 11a_100121570643_100000210414 [0,1,0,1,0,0|2,0,0]=4 19672 B11R1.264 CCC(=O)N[C@H]1C[C@@H](C1)OC 1626a_100121570643_100000210414 [0,1,0,1,0,0|2,0,0]=4 19673 B11R1.264 CCC(=O)N[C@H]1C[C@@H](C1)OC 240690a_100121570643_100000210414 [0,1,0,1,0,0|2,0,0]=4 19674 B11R1.264 CCC(=O)N[C@H]1C[C@@H](C1)OC 527a_100121570643_100000210414 [0,1,0,1,0,0|2,0,0]=4 19675 B11R1.264 CCC1CN(C1)CC(=O)NC 2230a_100015205115_100000183359 [0,1,0,1,0,0|2,0,0]=4 19676 B11R1.264 CCC1CN(C1)CC(=O)NC 269982a_100015205115_100000183359 [0,1,0,1,0,0|2,0,0]=4 19677 B11R1.264 CCC1CN(C1)CC(=O)OC 2230a_100015205115_100000747449 [0,1,0,1,0,0|2,0,0]=4 19678 B11R1.264 CCC1CN(C1)CC(=O)OC 269982a_100015205115_100000747449 [0,1,0,1,0,0|2,0,0]=4 19679 B11R1.264 CCN1CC(C1)CC(=O)OC 269982a_100016993681_100000204670 [0,1,0,1,0,0|2,0,0]=4 19680 B11R1.286 CCCCC(=O)C1CCC1=O 1458a_100000210183_100009892977 [0,1,0,1,0,0|0,0,1]=3 19681 B11R1.286 CCCCN(C)C1CCC1=O 269982a_100000207549_100009892977 [0,1,0,1,0,0|1,0,0]=3 19682 B11R1.286 CCOCC(=O)C1CCC1=O 1458a_100000211967_100009892977 [0,1,0,1,0,0|1,0,1]=4 19683 B11R1.286 CCSCC(=O)C1CCC1=O 1458a_100000230394_100009892977 [0,1,0,1,0,0|1,0,1]=4 19684 B11R1.286 CN(CCCO)C1CCC1=O 269982a_100000213112_100009892977 [0,1,0,1,0,0|2,0,0]=4 19685 B11R1.286 COCCC(=O)C1CCC1=O 1458a_100000749529_100009892977 [0,1,0,1,0,0|1,0,1]=4 19686 B11R1.286 COCCN(C)C1CCC1=O 269982a_100000743101_100009892977 [0,1,0,1,0,0|2,0,0]=4 19687 B11R1.286 CSCCC(=O)C1CCC1=O 1458a_100000174002_100009892977 [0,1,0,1,0,0|1,0,1]=4 19688 B11R1.286 CSCCN(C)C1CCC1=O 269982a_100000686725_100009892977 [0,1,0,1,0,0|2,0,0]=4 19689 B11R1.815 CCC(=O)CC(=O)C1CC1C 1458a_100000211227_100000747405 [0,1,0,1,0,0|0,0,1]=3 19690 B11R1.815 CCC(=O)CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000747405 [0,1,0,1,0,0|1,0,1]=4 19691 B11R1.815 CNC(=O)CC(=O)C1CC1C 1458a_100000211227_100000183359 [0,1,0,1,0,0|1,0,1]=4 19692 B11R1.815 COC(=O)CC(=O)C1CC1C 1458a_100000211227_100000747449 [0,1,0,1,0,0|1,0,1]=4 19693 B11R1.875 CC1CCC(N1C(=O)CO)C 240690a_100000687148_100000210174 [0,1,0,1,0,0|2,0,0]=4 19694 B11R1.875 CC1CCC(N1C(=O)CO)C 527a_100000687148_100000210174 [0,1,0,1,0,0|2,0,0]=4 19695 B11R1.875 CCC(=O)N1C(CCC1C)C 11a_100000687148_100000210414 [0,1,0,1,0,0|1,0,0]=3 19696 B11R1.875 CCC(=O)N1C(CCC1C)C 240690a_100000687148_100000210414 [0,1,0,1,0,0|1,0,0]=3 19697 B11R1.875 CCC(=O)N1C(CCC1C)C 527a_100000687148_100000210414 [0,1,0,1,0,0|1,0,0]=3 19698 B11R1.875 CNC(=O)N1C(CCC1C)C 2708a_100102657272_100000687148 [0,1,0,1,0,0|2,0,0]=4 19699 B11R1.875 CNC(=O)N1C(CCC1C)C 273464a_100102657272_100000687148 [0,1,0,1,0,0|2,0,0]=4 19700 B11R1.895 CCC(=O)CC1(OCCO1)C 1458a_100000137474_100000210202 [0,1,0,1,0,0|2,0,0]=4 19701 B11R1.895 CCC(=O)NC1(CCOC1)C 11a_100000693475_100000210414 [0,1,0,1,0,0|2,0,0]=4 19702 B11R1.895 CCC(=O)NC1(CCOC1)C 1626a_100000693475_100000210414 [0,1,0,1,0,0|2,0,0]=4 19703 B11R1.895 CCC(=O)NC1(CCOC1)C 240690a_100000693475_100000210414 [0,1,0,1,0,0|2,0,0]=4 19704 B11R1.895 CCC(=O)NC1(CCOC1)C 527a_100000693475_100000210414 [0,1,0,1,0,0|2,0,0]=4 19705 B11R1.12 CCC(NC)C1CCCCC1 269862a_106832991636_100011216311 [0,1,0,1,0,0|1,0,1]=4 19706 B11R1.12 CCC(OC)C1CCCCC1 34a_100011215090_200000210301 [0,1,0,1,0,0|0,0,2]=4 19707 B11R1.12 CCC(OC)C1CCCCC1 7a_100011215090_200000210301 [0,1,0,1,0,0|0,0,2]=4 19708 B11R1.12 CCC(O[13CH3])C1CCCCC1 34a_100011215090_200025704644 [0,1,0,1,0,0|0,0,2]=4 19709 B11R1.12 CCC(O[13CH3])C1CCCCC1 7a_100011215090_200025704644 [0,1,0,1,0,0|0,0,2]=4 19710 B11R1.12 CCN(CC)C1CCCCC1 2230a_100000201195_100000210202 [0,1,0,1,0,0|2,0,0]=4 19711 B11R1.12 CCN(CC)C1CCCCC1 269956a_100000042499_100000210327 [0,1,0,1,0,0|2,0,0]=4 19712 B11R1.12 CCN(CC)C1CCCCC1 269982a_100000201195_100000204670 [0,1,0,1,0,0|2,0,0]=4 19713 B11R1.12 CCN(CC)C1CCCCC1 269982a_100000724800_100000210327 [0,1,0,1,0,0|2,0,0]=4 19714 B11R1.12 CCN(CC)C1CCCCC1 270004a_100000724800_100000210434 [0,1,0,1,0,0|2,0,0]=4 19715 B11R1.12 CCN(CC)C1CCCCC1 34a_100000201195_100000210202 [0,1,0,1,0,0|2,0,0]=4 19716 B11R1.12 CCN(CF)C1CCCCC1 269982a_100000201195_100015361967 [0,1,0,1,0,0|2,0,0]=4 19717 B11R1.12 CCN(CF)C1CCCCC1 34a_100000201195_100015361967 [0,1,0,1,0,0|2,0,0]=4 19718 B11R1.12 CC[C@H](NC)C1CCCCC1 2230a_100020639352_200000210301 [0,1,0,1,0,0|1,0,1]=4 19719 B11R1.12 CC[C@H](NC)C1CCCCC1 34a_100020639352_200000210301 [0,1,0,1,0,0|1,0,1]=4 19720 B11R1.12 CC[C@H](N[13CH3])C1CCCCC1 2230a_100020639352_200025704644 [0,1,0,1,0,0|1,0,1]=4 19721 B11R1.12 CC[C@H](N[13CH3])C1CCCCC1 34a_100020639352_200025704644 [0,1,0,1,0,0|1,0,1]=4 19722 B11R1.83 CCCC1CCC(CC1)NC 2230a_100011234333_200000210301 [0,1,0,1,0,0|1,0,1]=4 19723 B11R1.83 CCCC1CCC(CC1)NC 270004a_106832991635_100000185488 [0,1,0,1,0,0|1,0,1]=4 19724 B11R1.83 CCCC1CCC(CC1)NC 34a_100011234333_200000210301 [0,1,0,1,0,0|1,0,1]=4 19725 B11R1.83 CCCC1CCC(CC1)N[13CH3] 2230a_100011234333_200025704644 [0,1,0,1,0,0|1,0,1]=4 19726 B11R1.83 CCCC1CCC(CC1)N[13CH3] 34a_100011234333_200025704644 [0,1,0,1,0,0|1,0,1]=4 19727 B11R1.83 CCCC1CCC(CC1)OC 34a_100011218949_200000210301 [0,1,0,1,0,0|0,0,2]=4 19728 B11R1.83 CCCC1CCC(CC1)OC 7a_100011218949_200000210301 [0,1,0,1,0,0|0,0,2]=4 19729 B11R1.83 CCCC1CCC(CC1)O[13CH3] 34a_100011218949_200025704644 [0,1,0,1,0,0|0,0,2]=4 19730 B11R1.83 CCCC1CCC(CC1)O[13CH3] 7a_100011218949_200025704644 [0,1,0,1,0,0|0,0,2]=4 19731 B11R1.83 CCCC1CCN(CC1)CC 2230a_100015355601_100000210202 [0,1,0,1,0,0|2,0,0]=4 19732 B11R1.83 CCCC1CCN(CC1)CC 269982a_100015355601_100000204670 [0,1,0,1,0,0|2,0,0]=4 19733 B11R1.83 CCCC1CCN(CC1)CC 34a_100015355601_100000210202 [0,1,0,1,0,0|2,0,0]=4 19734 B11R1.83 CCCC1CCN(CC1)CF 269982a_100015355601_100015361967 [0,1,0,1,0,0|2,0,0]=4 19735 B11R1.83 CCCC1CCN(CC1)CF 34a_100015355601_100015361967 [0,1,0,1,0,0|2,0,0]=4 19736 B11R1.84 CCN(CC)CC1CCCC1 2230a_100000724800_100000740388 [0,1,0,1,0,0|2,0,0]=4 19737 B11R1.84 CCN(CC)CC1CCCC1 269956a_100000042499_100000740388 [0,1,0,1,0,0|2,0,0]=4 19738 B11R1.84 CCN(CC)CC1CCCC1 269982a_100000724800_100000740388 [0,1,0,1,0,0|2,0,0]=4 19739 B11R1.190 C#CCCCNC1CCC1=O 34a_100000718082_100009892977 [0,1,0,1,0,0|0,0,2]=4 19740 B11R1.190 C#CCCCOC1CCC1=O 34a_100000215630_100009892977 [0,1,0,1,0,0|0,0,2]=4 19741 B11R1.190 C#CCCCOC1CCC1=O 7a_100000215630_100009892977 [0,1,0,1,0,0|0,0,2]=4 19742 B11R1.190 C#CCCCSC1CCC1=O 62a_100009892977_100011215417 [0,1,0,1,0,0|0,0,2]=4 19743 B11R1.190 C#CCCCSC1CCC1=O 62a_100011215417_100009892977 [0,1,0,1,0,0|0,0,2]=4 19744 B11R1.190 C#CCSCCC1CCC1=O 62a_100000038162_200016118888 [0,1,0,1,0,0|0,0,2]=4 19745 B11R1.190 C/C=C/CCOC1CCC1=O 34a_100016278192_100009892977 [0,1,0,1,0,0|0,0,2]=4 19746 B11R1.190 C=CCCCNC1CCC1=O 34a_100000700776_100009892977 [0,1,0,1,0,0|0,0,2]=4 19747 B11R1.190 C=CCCCOC1CCC1=O 34a_100000758997_100009892977 [0,1,0,1,0,0|0,0,2]=4 19748 B11R1.190 C=CCCCOC1CCC1=O 7a_100000758997_100009892977 [0,1,0,1,0,0|0,0,2]=4 19749 B11R1.190 C=CCCCSC1CCC1=O 62a_100009892977_100000757094 [0,1,0,1,0,0|0,0,2]=4 19750 B11R1.190 C=CCCCSC1CCC1=O 62a_100011713584_100009892977 [0,1,0,1,0,0|0,0,2]=4 19751 B11R1.190 C=CCNCCC1CCC1=O 2230a_100020586998_200016118888 [0,1,0,1,0,0|0,0,2]=4 19752 B11R1.190 C=CCSCCC1CCC1=O 62a_100000210623_200016118888 [0,1,0,1,0,0|0,0,2]=4 19753 B11R1.190 C=CCSCCC1CCC1=O 62a_200016118888_100000210623 [0,1,0,1,0,0|0,0,2]=4 19754 B11R1.190 CC#CCCOC1CCC1=O 34a_100000750427_100009892977 [0,1,0,1,0,0|0,0,2]=4 19755 B11R1.190 CC/C=C\COC1CCC1=O 34a_100016268518_100009892977 [0,1,0,1,0,0|0,0,2]=4 19756 B11R1.190 CC/C=C\CSC1CCC1=O 62a_100009892977_100103147603 [0,1,0,1,0,0|0,0,2]=4 19757 B11R1.190 CC/C=C\CSC1CCC1=O 62a_100103147603_100009892977 [0,1,0,1,0,0|0,0,2]=4 19758 B11R1.190 CCC#CCOC1CCC1=O 34a_100000032950_100009892977 [0,1,0,1,0,0|0,0,2]=4 19759 B11R1.190 CCC#CCSC1CCC1=O 62a_100009813939_100009892977 [0,1,0,1,0,0|0,0,2]=4 19760 B11R1.190 CCC#CCSC1CCC1=O 62a_100009892977_100009813939 [0,1,0,1,0,0|0,0,2]=4 19761 B11R1.190 CCCCCCN1CCC1C 269982a_100000755817_100000210757 [0,1,0,1,0,0|1,0,1]=4 19762 B11R1.190 CCCCCCN1CCC1C 34a_100000755817_100000210314 [0,1,0,1,0,0|1,0,1]=4 19763 B11R1.190 CCCCCOC1CCC1=O 34a_100000210253_100009892977 [0,1,0,1,0,0|0,0,0]=2 19764 B11R1.190 CCCCCOC1CCC1=O 7a_100000210253_100009892977 [0,1,0,1,0,0|0,0,0]=2 19765 B11R1.190 CCCCCSC1CCC1=O 62a_100000210326_100009892977 [0,1,0,1,0,0|0,0,0]=2 19766 B11R1.190 CCCCCSC1CCC1=O 62a_100009892977_100000210326 [0,1,0,1,0,0|0,0,0]=2 19767 B11R1.190 CCCSCCC1CCC1=O 62a_100000210303_200016118888 [0,1,0,1,0,0|0,0,0]=2 19768 B11R1.190 CCCSCCC1CCC1=O 62a_200016118888_100000210303 [0,1,0,1,0,0|0,0,0]=2 19769 B11R1.190 CCOCCNC1CCC1=O 34a_102516460346_100009892977 [0,1,0,1,0,0|1,0,0]=3 19770 B11R1.190 CCOCCOC1CCC1=O 34a_100000210136_100009892977 [0,1,0,1,0,0|1,0,0]=3 19771 B11R1.190 CCOCCOC1CCC1=O 7a_100000210136_100009892977 [0,1,0,1,0,0|1,0,0]=3 19772 B11R1.190 CCOCCSC1CCC1=O 62a_100000210147_100009892977 [0,1,0,1,0,0|1,0,0]=3 19773 B11R1.190 CCOCCSC1CCC1=O 62a_100009892977_100011215890 [0,1,0,1,0,0|1,0,0]=3 19774 B11R1.190 CCSCCOC1CCC1=O 34a_100000212035_100009892977 [0,1,0,1,0,0|1,0,0]=3 19775 B11R1.190 CCSCCOC1CCC1=O 7a_100000212035_100009892977 [0,1,0,1,0,0|1,0,0]=3 19776 B11R1.190 CCSCCSC1CCC1=O 62a_100000757381_100009892977 [0,1,0,1,0,0|1,0,0]=3 19777 B11R1.190 CCSCCSC1CCC1=O 62a_100009892977_100000757381 [0,1,0,1,0,0|1,0,0]=3 19778 B11R1.190 CNCCCOC1CCC1=O 34a_100000213112_100009892977 [0,1,0,1,0,0|1,0,0]=3 19779 B11R1.190 COCCCNC1CCC1=O 34a_100150723488_100009892977 [0,1,0,1,0,0|1,0,0]=3 19780 B11R1.190 COCCCOC1CCC1=O 34a_100000740835_100009892977 [0,1,0,1,0,0|1,0,0]=3 19781 B11R1.190 COCCCSC1CCC1=O 62a_100000709357_100009892977 [0,1,0,1,0,0|1,0,0]=3 19782 B11R1.190 COCCCSC1CCC1=O 62a_100009892977_100000709357 [0,1,0,1,0,0|1,0,0]=3 19783 B11R1.190 COCSCCC1CCC1=O 62a_100000766300_200016118888 [0,1,0,1,0,0|1,0,0]=3 19784 B11R1.190 COCSCCC1CCC1=O 62a_200016118888_100000766300 [0,1,0,1,0,0|1,0,0]=3 19785 B11R1.190 CSCCCOC1CCC1=O 34a_100000690336_100009892977 [0,1,0,1,0,0|1,0,0]=3 19786 B11R1.190 CSCCCOC1CCC1=O 7a_100000690336_100009892977 [0,1,0,1,0,0|1,0,0]=3 19787 B11R1.190 CSCSCCC1CCC1=O 62a_100011218213_200016118888 [0,1,0,1,0,0|1,0,0]=3 19788 B11R1.190 CSCSCCC1CCC1=O 62a_200016118888_100011218213 [0,1,0,1,0,0|1,0,0]=3 19789 B11R1.190 N#CCCCSC1CCC1=O 62a_100000687738_100009892977 [0,1,0,1,0,0|1,0,1]=4 19790 B11R1.190 N#CCCCSC1CCC1=O 62a_100009892977_100000687738 [0,1,0,1,0,0|1,0,1]=4 19791 B11R1.190 N#CCSCCC1CCC1=O 62a_100011215382_200016118888 [0,1,0,1,0,0|1,0,1]=4 19792 B11R1.190 N#CCSCCC1CCC1=O 62a_200016118888_100011215382 [0,1,0,1,0,0|1,0,1]=4 19793 B11R1.190 NCCCCOC1CCC1=O 34a_100000750430_100009892977 [0,1,0,1,0,0|1,0,0]=3 19794 B11R1.190 O=C1CCC1CCNCCO 2230a_100016997473_200016118888 [0,1,0,1,0,0|1,0,0]=3 19795 B11R1.190 O=C1CCC1CCSCCF 62a_100011217306_200016118888 [0,1,0,1,0,0|1,0,0]=3 19796 B11R1.190 O=C1CCC1CCSCCF 62a_200016118888_100011217306 [0,1,0,1,0,0|1,0,0]=3 19797 B11R1.190 O=C1CCC1CCSCCO 62a_100000211926_200016118888 [0,1,0,1,0,0|1,0,0]=3 19798 B11R1.190 O=C1CCC1CCSCCO 62a_200016118888_100000211926 [0,1,0,1,0,0|1,0,0]=3 19799 B11R1.190 O=C1CCC1NCCCCO 34a_100000750430_100009892977 [0,1,0,1,0,0|1,0,0]=3 19800 B11R1.190 O=C1CCC1OCCCCBr 34a_100011216708_100009892977 [0,1,0,1,0,0|1,0,0]=3 19801 B11R1.190 O=C1CCC1OCCCCCl 34a_100000210776_100009892977 [0,1,0,1,0,0|1,0,0]=3 19802 B11R1.190 O=C1CCC1OCCCCCl 7a_100000210776_100009892977 [0,1,0,1,0,0|1,0,0]=3 19803 B11R1.190 O=C1CCC1OCCCCF 34a_100011995726_100009892977 [0,1,0,1,0,0|1,0,0]=3 19804 B11R1.190 O=C1CCC1OCCCCF 7a_100011995726_100009892977 [0,1,0,1,0,0|1,0,0]=3 19805 B11R1.190 O=C1CCC1OCCCCI 34a_200012148704_100009892977 [0,1,0,1,0,0|1,0,0]=3 19806 B11R1.190 O=C1CCC1SCCCCF 62a_100000729493_100009892977 [0,1,0,1,0,0|1,0,0]=3 19807 B11R1.190 O=C1CCC1SCCCCF 62a_100009892977_100000729493 [0,1,0,1,0,0|1,0,0]=3 19808 B11R1.190 O=C1CCC1SCCCCO 62a_100000210776_100009892977 [0,1,0,1,0,0|1,0,0]=3 19809 B11R1.190 O=C1CCC1SCCCCO 62a_100009892977_100000210776 [0,1,0,1,0,0|1,0,0]=3 19810 B11R1.190 O=CCCCSC1CCC1=O 62a_100009892977_200011292268 [0,1,0,1,0,0|1,0,1]=4 19811 B11R1.190 O=CCCCSC1CCC1=O 62a_200011292268_100009892977 [0,1,0,1,0,0|1,0,1]=4 19812 B11R1.190 O=CCSCCC1CCC1=O 62a_200015260668_200016118888 [0,1,0,1,0,0|1,0,1]=4 19813 B11R1.190 O=CCSCCC1CCC1=O 62a_200016118888_200015260668 [0,1,0,1,0,0|1,0,1]=4 19814 B11R1.248 CCN1CCCCCCCC1 2230a_100000039187_100000210202 [0,1,0,1,0,0|2,0,0]=4 19815 B11R1.248 CCN1CCCCCCCC1 269982a_100000039187_100000204670 [0,1,0,1,0,0|2,0,0]=4 19816 B11R1.248 CCN1CCCCCCCC1 34a_100000039187_100000210202 [0,1,0,1,0,0|2,0,0]=4 19817 B11R1.248 CNC1CCCCCCCC1 270004a_106832991635_100000038600 [0,1,0,1,0,0|1,0,1]=4 19818 B11R1.248 FCN1CCCCCCCC1 269982a_100000039187_100015361967 [0,1,0,1,0,0|2,0,0]=4 19819 B11R1.248 FCN1CCCCCCCC1 34a_100000039187_100015361967 [0,1,0,1,0,0|2,0,0]=4 19820 B11R1.951 CCC1CCCN(CC1)CC 2230a_100000757272_100000210202 [0,1,0,1,0,0|2,0,0]=4 19821 B11R1.951 CCC1CCCN(CC1)CC 269982a_100000757272_100000204670 [0,1,0,1,0,0|2,0,0]=4 19822 B11R1.951 CCC1CCCN(CC1)CC 34a_100000757272_100000210202 [0,1,0,1,0,0|2,0,0]=4 19823 B11R1.951 CCC1CCCN(CC1)CF 269982a_100000757272_100015361967 [0,1,0,1,0,0|2,0,0]=4 19824 B11R1.951 CCC1CCCN(CC1)CF 34a_100000757272_100015361967 [0,1,0,1,0,0|2,0,0]=4 19825 B11R1.20 C=C1CCN(CC1)CC(C)C 2230a_100000752442_100000210760 [0,1,0,1,0,0|2,0,0]=4 19826 B11R1.20 C=C1CCN(CC1)CC(C)C 269982a_100000752442_100000210624 [0,1,0,1,0,0|2,0,0]=4 19827 B11R1.20 C=C1CCN(CC1)CC(C)C 270004a_100000752442_100000210432 [0,1,0,1,0,0|2,0,0]=4 19828 B11R1.20 C=C1CCN(CC1)CC(C)C 34a_100000752442_100000210624 [0,1,0,1,0,0|2,0,0]=4 19829 B11R1.20 C=C1CCN(CC1)CC(C)O 2230a_100000752442_100011218427 [0,1,0,1,0,0|2,0,0]=4 19830 B11R1.20 C=C1CCN(CC1)CC(C)O 269982a_100000752442_100011218427 [0,1,0,1,0,0|2,0,0]=4 19831 B11R1.20 C=C1CCN(CC1)CC(C)O 34a_100000752442_100011218427 [0,1,0,1,0,0|2,0,0]=4 19832 B11R1.20 C=C1CCN(CC1)C[C@@H](C)O 2230a_100000752442_100009817552 [0,1,0,1,0,0|2,0,0]=4 19833 B11R1.20 C=C1CCN(CC1)C[C@@H](C)O 269982a_100000752442_100009817552 [0,1,0,1,0,0|2,0,0]=4 19834 B11R1.20 C=C1CCN(CC1)C[C@@H](C)O 34a_100000752442_100009817552 [0,1,0,1,0,0|2,0,0]=4 19835 B11R1.20 CC(C)CN1CCS(=O)CC1 2230a_100000752083_100000210760 [0,1,0,1,0,0|2,0,0]=4 19836 B11R1.20 CC(C)CN1CCS(=O)CC1 269982a_100000752083_100000210624 [0,1,0,1,0,0|2,0,0]=4 19837 B11R1.20 CC(C)CN1CCS(=O)CC1 270004a_100000752083_100000210432 [0,1,0,1,0,0|2,0,0]=4 19838 B11R1.20 CC(C)NC1CCC(=O)NC1 2230a_100000748762_100000210206 [0,1,0,1,0,0|2,0,0]=4 19839 B11R1.20 CC(C)NC1CCC(=O)NC1 34a_100000748762_100000210206 [0,1,0,1,0,0|2,0,0]=4 19840 B11R1.20 CC(C)OC1CCC(=O)CC1 34a_100000764474_100000210206 [0,1,0,1,0,0|1,0,0]=3 19841 B11R1.20 CC(C)OC1CCC(=O)CC1 7a_100000764474_100000210206 [0,1,0,1,0,0|1,0,0]=3 19842 B11R1.20 CC(C)OC1CCC(=O)NC1 34a_100000079199_100000210206 [0,1,0,1,0,0|2,0,0]=4 19843 B11R1.20 CC(O)CN1CCS(=O)CC1 2230a_100000752083_100011218427 [0,1,0,1,0,0|2,0,0]=4 19844 B11R1.20 CC(O)CN1CCS(=O)CC1 269982a_100000752083_100011218427 [0,1,0,1,0,0|2,0,0]=4 19845 B11R1.20 C[C@@H](O)CN1CCS(=O)CC1 2230a_100000752083_100009817552 [0,1,0,1,0,0|2,0,0]=4 19846 B11R1.20 C[C@@H](O)CN1CCS(=O)CC1 269982a_100000752083_100009817552 [0,1,0,1,0,0|2,0,0]=4 19847 B11R1.23 CC1CCCC(C1)C(=O)CF 1458a_100011215569_100015361967 [0,1,0,1,0,0|1,0,0]=3 19848 B11R1.23 CCC(=O)C1CCCC(C1)C 1458a_100011215569_100000210202 [0,1,0,1,0,0|0,0,0]=2 19849 B11R1.23 CCC(=O)C1CCCC(C1)O 1458a_100000707227_100000210202 [0,1,0,1,0,0|0,0,0]=2 19850 B11R1.23 CCC(=O)C1CCCN(C1)C 1458a_100015257587_100000210202 [0,1,0,1,0,0|1,0,0]=3 19851 B11R1.23 CCC(=O)C1CCNC(=O)C1 1458a_100000132800_100000210202 [0,1,0,1,0,0|1,0,1]=4 19852 B11R1.23 CCC(=O)C1CN(CCO1)C 1458a_100011543126_100000210202 [0,1,0,1,0,0|2,0,0]=4 19853 B11R1.23 CCC(=O)N1CCCC(C1)F 11a_100000697950_100000210414 [0,1,0,1,0,0|1,0,0]=3 19854 B11R1.23 CCC(=O)N1CCCC(C1)F 1626a_100000697950_100000210414 [0,1,0,1,0,0|1,0,0]=3 19855 B11R1.23 CCC(=O)N1CCCC(C1)F 240690a_100000697950_100000210414 [0,1,0,1,0,0|1,0,0]=3 19856 B11R1.23 CCC(=O)N1CCCC(C1)F 527a_100000697950_100000210414 [0,1,0,1,0,0|1,0,0]=3 19857 B11R1.23 CCC(=O)N1CCCC(C1)O 240690a_100000211013_100000210414 [0,1,0,1,0,0|1,0,0]=3 19858 B11R1.23 CCC(=O)N1CCCC(C1)O 527a_100000211013_100000210414 [0,1,0,1,0,0|1,0,0]=3 19859 B11R1.23 CCC(=O)N1CCC[C@@H](C1)C 11a_100000717927_100000210414 [0,1,0,1,0,0|1,0,0]=3 19860 B11R1.23 CCC(=O)N1CCC[C@@H](C1)C 240690a_100000717927_100000210414 [0,1,0,1,0,0|1,0,0]=3 19861 B11R1.23 CCC(=O)N1CCC[C@@H](C1)C 527a_100000717927_100000210414 [0,1,0,1,0,0|1,0,0]=3 19862 B11R1.23 CCC(=O)N1CCOC(C1)C 11a_100000729577_100000210414 [0,1,0,1,0,0|2,0,0]=4 19863 B11R1.23 CCC(=O)N1CCOC(C1)C 1626a_100000729577_100000210414 [0,1,0,1,0,0|2,0,0]=4 19864 B11R1.23 CCC(=O)N1CCOC(C1)C 240690a_100000729577_100000210414 [0,1,0,1,0,0|2,0,0]=4 19865 B11R1.23 CCC(=O)N1CCOC(C1)C 527a_100000729577_100000210414 [0,1,0,1,0,0|2,0,0]=4 19866 B11R1.23 CCC(=O)N1CCOC(C1)O 11a_100000688207_100000210414 [0,1,0,1,0,0|2,0,0]=4 19867 B11R1.23 CCC(=O)N1CCOC(C1)O 240690a_100000688207_100000210414 [0,1,0,1,0,0|2,0,0]=4 19868 B11R1.23 CCC(=O)N1CCOC(C1)O 527a_100000688207_100000210414 [0,1,0,1,0,0|2,0,0]=4 19869 B11R1.23 CCC(=O)[C@@H]1CCN=C(N1)C 1458a_100015271614_100000210202 [0,1,0,1,0,0|1,0,1]=4 19870 B11R1.23 CCC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_100000210202 [0,1,0,1,0,0|1,0,1]=4 19871 B11R1.23 CN1CCCC(C1)C(=O)CF 1458a_100015257587_100015361967 [0,1,0,1,0,0|2,0,0]=4 19872 B11R1.23 CNC(=O)C1CCCC(C1)C 11a_106832991635_100011215569 [0,1,0,1,0,0|1,0,0]=3 19873 B11R1.23 CNC(=O)C1CCCC(C1)C 1626a_100102657272_100011215569 [0,1,0,1,0,0|1,0,0]=3 19874 B11R1.23 CNC(=O)C1CCCC(C1)C 240690a_100102657272_100011215569 [0,1,0,1,0,0|1,0,0]=3 19875 B11R1.23 CNC(=O)C1CCCC(C1)C 527a_100102657272_100011215569 [0,1,0,1,0,0|1,0,0]=3 19876 B11R1.23 CNC(=O)C1CCCC(C1)O 1626a_100102657272_100000707227 [0,1,0,1,0,0|1,0,0]=3 19877 B11R1.23 CNC(=O)C1CCCC(C1)O 240690a_100102657272_100000707227 [0,1,0,1,0,0|1,0,0]=3 19878 B11R1.23 CNC(=O)C1CCCN(C1)C 11a_106832991635_100015257587 [0,1,0,1,0,0|2,0,0]=4 19879 B11R1.23 CNC(=O)C1CCCN(C1)C 2230a_100000754358_200000210301 [0,1,0,1,0,0|2,0,0]=4 19880 B11R1.23 CNC(=O)C1CCCN(C1)C 240690a_100102657272_100015257587 [0,1,0,1,0,0|2,0,0]=4 19881 B11R1.23 CNC(=O)C1CCCN(C1)C 269982a_100000754358_200000210301 [0,1,0,1,0,0|2,0,0]=4 19882 B11R1.23 CNC(=O)C1CCCN(C1)C 34a_100000754358_200000210301 [0,1,0,1,0,0|2,0,0]=4 19883 B11R1.23 CNC(=O)C1CCCN(C1)[13CH3] 2230a_100000754358_200025704644 [0,1,0,1,0,0|2,0,0]=4 19884 B11R1.23 CNC(=O)C1CCCN(C1)[13CH3] 269982a_100000754358_200025704644 [0,1,0,1,0,0|2,0,0]=4 19885 B11R1.23 CNC(=O)C1CCCN(C1)[13CH3] 34a_100000754358_200025704644 [0,1,0,1,0,0|2,0,0]=4 19886 B11R1.23 CNC(=O)N1CCCC(C1)F 2708a_100102657272_100000697950 [0,1,0,1,0,0|2,0,0]=4 19887 B11R1.23 CNC(=O)N1CCCC(C1)F 273464a_100102657272_100000697950 [0,1,0,1,0,0|2,0,0]=4 19888 B11R1.23 CNC(=O)N1CCCC(C1)O 2708a_100102657272_100000211013 [0,1,0,1,0,0|2,0,0]=4 19889 B11R1.23 CNC(=O)N1CCCC(C1)O 273464a_100102657272_100000211013 [0,1,0,1,0,0|2,0,0]=4 19890 B11R1.23 CNC(=O)N1CCC[C@@H](C1)C 2708a_100102657272_100000717927 [0,1,0,1,0,0|2,0,0]=4 19891 B11R1.23 CNC(=O)N1CCC[C@@H](C1)C 273464a_100102657272_100000717927 [0,1,0,1,0,0|2,0,0]=4 19892 B11R1.23 COC(=O)[C@H]1CCCN(C1)C 2230a_100016988859_200000210301 [0,1,0,1,0,0|2,0,0]=4 19893 B11R1.23 COC(=O)[C@H]1CCCN(C1)C 269982a_100016988859_200000210301 [0,1,0,1,0,0|2,0,0]=4 19894 B11R1.23 COC(=O)[C@H]1CCCN(C1)[13CH3] 2230a_100016988859_200025704644 [0,1,0,1,0,0|2,0,0]=4 19895 B11R1.23 COC(=O)[C@H]1CCCN(C1)[13CH3] 269982a_100016988859_200025704644 [0,1,0,1,0,0|2,0,0]=4 19896 B11R1.23 C[C@H]1CCCN(C1)C(=O)CO 240690a_100000717927_100000210174 [0,1,0,1,0,0|2,0,0]=4 19897 B11R1.23 C[C@H]1CCCN(C1)C(=O)CO 527a_100000717927_100000210174 [0,1,0,1,0,0|2,0,0]=4 19898 B11R1.23 O=C(CF)C1CCCC(C1)O 1458a_100000707227_100015361967 [0,1,0,1,0,0|1,0,0]=3 19899 B11R1.23 O=C(CO)N1CCCC(C1)F 240690a_100000697950_100000210174 [0,1,0,1,0,0|2,0,0]=4 19900 B11R1.23 O=C(CO)N1CCCC(C1)F 527a_100000697950_100000210174 [0,1,0,1,0,0|2,0,0]=4 19901 B11R1.23 O=C(CO)N1CCCC(C1)O 240690a_100000211013_100000210174 [0,1,0,1,0,0|2,0,0]=4 19902 B11R1.23 O=C(CO)N1CCCC(C1)O 527a_100000211013_100000210174 [0,1,0,1,0,0|2,0,0]=4 19903 B11R1.75 C=C(C)COC1CCC(=O)C1 34a_100012614533_100000748629 [0,1,0,1,0,0|1,0,1]=4 19904 B11R1.75 CC(C)CCN1CNC(=O)C1 2230a_200000708111_100000210312 [0,1,0,1,0,0|2,0,0]=4 19905 B11R1.75 CC(C)CNC1CNC(=O)C1 2230a_100000697751_100000210760 [0,1,0,1,0,0|2,0,0]=4 19906 B11R1.75 CC(C)COC1CCC(=O)C1 34a_100012614533_100000210624 [0,1,0,1,0,0|1,0,0]=3 19907 B11R1.75 CC(C)COC1CNC(=O)C1 34a_100000690082_100000210624 [0,1,0,1,0,0|2,0,0]=4 19908 B11R1.75 CC(C)NCC1CNC(=O)C1 2230a_100016993742_100000210206 [0,1,0,1,0,0|2,0,0]=4 19909 B11R1.75 CC(C)NCC1CNC(=O)C1 34a_100016993742_100000210206 [0,1,0,1,0,0|2,0,0]=4 19910 B11R1.75 CC(C)NC[C@@H]1CCC(=O)N1 2230a_100138425928_100015189358 [0,1,0,1,0,0|2,0,0]=4 19911 B11R1.75 CC(C)NC[C@H]1CCC(=O)N1 2230a_100015423886_100000210206 [0,1,0,1,0,0|2,0,0]=4 19912 B11R1.75 CC(C)NC[C@H]1CCC(=O)N1 34a_100015423886_100000210206 [0,1,0,1,0,0|2,0,0]=4 19913 B11R1.75 CC(C)OCC1CCC(=O)N1 34a_100000737831_100000210206 [0,1,0,1,0,0|2,0,0]=4 19914 B11R1.75 CC(C)OCC1CNC(=O)C1 34a_100016041077_100000210206 [0,1,0,1,0,0|2,0,0]=4 19915 B11R1.75 CC(C)SC[C@@H]1CCC(=O)N1 62a_100000210206_100015189358 [0,1,0,1,0,0|2,0,0]=4 19916 B11R1.75 CC(C)SC[C@@H]1CCC(=O)N1 62a_100015189358_100000210206 [0,1,0,1,0,0|2,0,0]=4 19917 B11R1.75 CC(O)CCN1CNC(=O)C1 2230a_200000708111_100012276601 [0,1,0,1,0,0|2,0,0]=4 19918 B11R1.75 CC(O)CNC1CNC(=O)C1 2230a_100000697751_100011218427 [0,1,0,1,0,0|2,0,0]=4 19919 B11R1.75 CC(O)COC1CCC(=O)C1 34a_100012614533_100011218427 [0,1,0,1,0,0|1,0,0]=3 19920 B11R1.75 CC(O)COC1CNC(=O)C1 34a_100000690082_100011218427 [0,1,0,1,0,0|2,0,0]=4 19921 B11R1.75 C[C@@H](O)CNC1CNC(=O)C1 2230a_100000697751_100009817552 [0,1,0,1,0,0|2,0,0]=4 19922 B11R1.75 C[C@@H](O)COC1CCC(=O)C1 34a_100012614533_100009817552 [0,1,0,1,0,0|1,0,0]=3 19923 B11R1.75 C[C@@H](O)COC1CNC(=O)C1 34a_100000690082_100009817552 [0,1,0,1,0,0|2,0,0]=4 19924 B11R1.75 O=C1CCC(C1)OCC(F)F 34a_100012614533_100011934356 [0,1,0,1,0,0|2,0,0]=4 19925 B11R1.159 CC(C)N1CCNC(=O)C1C 2230a_100000750721_100000210206 [0,1,0,1,0,0|2,0,0]=4 19926 B11R1.159 CC(C)N1CCNC(=O)C1C 269982a_100000750721_100000210206 [0,1,0,1,0,0|2,0,0]=4 19927 B11R1.159 CC(C)N1CCNC(=O)C1C 34a_100000750721_100000210206 [0,1,0,1,0,0|2,0,0]=4 19928 B11R1.161 C=C(C)CCOC1CCC1=O 34a_100000764851_100009892977 [0,1,0,1,0,0|1,0,1]=4 19929 B11R1.161 C=C(C)CCSC1CCC1=O 62a_100000730704_100009892977 [0,1,0,1,0,0|1,0,1]=4 19930 B11R1.161 C=C(C)CCSC1CCC1=O 62a_100009892977_100000730704 [0,1,0,1,0,0|1,0,1]=4 19931 B11R1.161 CC(=O)CCOC1CCC1=O 34a_100000759926_100009892977 [0,1,0,1,0,0|1,0,1]=4 19932 B11R1.161 CC(=O)CCOC1CCC1=O 7a_100000759926_100009892977 [0,1,0,1,0,0|1,0,1]=4 19933 B11R1.161 CC(=O)CCSC1CCC1=O 62a_100000053229_100009892977 [0,1,0,1,0,0|1,0,1]=4 19934 B11R1.161 CC(=O)CCSC1CCC1=O 62a_100009892977_100000053229 [0,1,0,1,0,0|1,0,1]=4 19935 B11R1.161 CC(Br)CCOC1CCC1=O 34a_100009893172_100009892977 [0,1,0,1,0,0|1,0,0]=3 19936 B11R1.161 CC(C)CCOC1CCC1=O 34a_100000210254_100009892977 [0,1,0,1,0,0|1,0,0]=3 19937 B11R1.161 CC(C)CCOC1CCC1=O 7a_100000210254_100009892977 [0,1,0,1,0,0|1,0,0]=3 19938 B11R1.161 CC(C)CCSC1CCC1=O 62a_100000210312_100009892977 [0,1,0,1,0,0|1,0,0]=3 19939 B11R1.161 CC(C)CCSC1CCC1=O 62a_100009892977_100000210312 [0,1,0,1,0,0|1,0,0]=3 19940 B11R1.161 CC(C)NCCC1CCC1=O 2230a_100138425928_200016118888 [0,1,0,1,0,0|1,0,0]=3 19941 B11R1.161 CC(C)OCSC1CCC1=O 62a_100000709892_100009892977 [0,1,0,1,0,0|2,0,0]=4 19942 B11R1.161 CC(C)OCSC1CCC1=O 62a_100009892977_100000709892 [0,1,0,1,0,0|2,0,0]=4 19943 B11R1.161 CC(C)SCCC1CCC1=O 62a_100000210206_200016118888 [0,1,0,1,0,0|1,0,0]=3 19944 B11R1.161 CC(C)SCCC1CCC1=O 62a_200016118888_100000210206 [0,1,0,1,0,0|1,0,0]=3 19945 B11R1.161 CC(O)CCSC1CCC1=O 62a_100009892977_100012276601 [0,1,0,1,0,0|1,0,0]=3 19946 B11R1.161 CC(O)CCSC1CCC1=O 62a_100012276601_100009892977 [0,1,0,1,0,0|1,0,0]=3 19947 B11R1.161 CN(C)CCSC1CCC1=O 62a_100009892977_100000755713 [0,1,0,1,0,0|2,0,0]=4 19948 B11R1.161 C[C@@H](N)CCOC1CCC1=O 34a_100000706166_100009892977 [0,1,0,1,0,0|1,0,0]=3 19949 B11R1.161 O=C1CCC1OCCC(F)F 34a_100103093639_100009892977 [0,1,0,1,0,0|2,0,0]=4 19950 B11R1.174 CC(C)CCCCN1CCC1 269982a_100000754969_100011216152 [0,1,0,1,0,0|2,0,0]=4 19951 B11R1.224 C=C1CC(C1)CNC(=O)CC 11a_100102567296_100000210414 [0,1,0,1,0,0|1,0,1]=4 19952 B11R1.224 C=C1CC(C1)CNC(=O)CC 1626a_100102567296_100000210414 [0,1,0,1,0,0|1,0,1]=4 19953 B11R1.224 C=C1CC(C1)CNC(=O)CC 240690a_100102567296_100000210414 [0,1,0,1,0,0|1,0,1]=4 19954 B11R1.224 C=C1CC(C1)CNC(=O)CC 527a_100102567296_100000210414 [0,1,0,1,0,0|1,0,1]=4 19955 B11R1.224 CCC(=O)CSC1CC(=O)C1 62a_100009894365_100000747405 [0,1,0,1,0,0|1,0,1]=4 19956 B11R1.224 CCC(=O)NCC1CC(C1)O 11a_100016992100_100000210414 [0,1,0,1,0,0|1,0,0]=3 19957 B11R1.224 CCC(=O)NCC1CC(C1)O 240690a_100016992100_100000210414 [0,1,0,1,0,0|1,0,0]=3 19958 B11R1.224 CCC(=O)NCC1CN(C1)C 240690a_100000723568_100000210414 [0,1,0,1,0,0|2,0,0]=4 19959 B11R1.224 CNC(=O)CCN1CC(C1)C 2230a_100000702820_100000737683 [0,1,0,1,0,0|2,0,0]=4 19960 B11R1.224 CNC(=O)CCN1CC(C1)C 269982a_100000702820_100000737683 [0,1,0,1,0,0|2,0,0]=4 19961 B11R1.224 CNC(=O)CCN1CC(C1)C 34a_100000702820_100012179268 [0,1,0,1,0,0|2,0,0]=4 19962 B11R1.224 CNC(=O)CCN1CC(C1)F 2230a_100000690557_100000737683 [0,1,0,1,0,0|2,0,0]=4 19963 B11R1.224 CNC(=O)CCN1CC(C1)F 269982a_100000690557_100000737683 [0,1,0,1,0,0|2,0,0]=4 19964 B11R1.224 CNC(=O)CCN1CC(C1)F 34a_100000690557_100012179268 [0,1,0,1,0,0|2,0,0]=4 19965 B11R1.224 CNC(=O)CCN1CC(C1)O 269982a_100000749847_100000737683 [0,1,0,1,0,0|2,0,0]=4 19966 B11R1.224 CNC(=O)CNC1CC(C1)F 2230a_100016993743_100000183359 [0,1,0,1,0,0|2,0,0]=4 19967 B11R1.224 CNC(=O)CN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000183359 [0,1,0,1,0,0|2,0,0]=4 19968 B11R1.224 CNC(=O)NCC1CC(C1)O 2708a_100016992100_106832991635 [0,1,0,1,0,0|2,0,0]=4 19969 B11R1.224 CNC(=O)NCC1CC(C1)O 2708a_100102657272_100016992100 [0,1,0,1,0,0|2,0,0]=4 19970 B11R1.224 CNC(=O)NCC1CC(C1)O 273464a_100016992100_100102657272 [0,1,0,1,0,0|2,0,0]=4 19971 B11R1.224 CNC(=O)NCC1CC(C1)O 273464a_100102657272_100016992100 [0,1,0,1,0,0|2,0,0]=4 19972 B11R1.224 CNC(=O)NCC1CC(C1)O 512a_100016992100_100102657272 [0,1,0,1,0,0|2,0,0]=4 19973 B11R1.224 CNC(=O)NCC1CC(C1)O 512a_106832991638_100016992100 [0,1,0,1,0,0|2,0,0]=4 19974 B11R1.224 COC(=O)CCN1CC(C1)C 2230a_100000702820_100000204255 [0,1,0,1,0,0|2,0,0]=4 19975 B11R1.224 COC(=O)CCN1CC(C1)C 269982a_100000702820_100000204255 [0,1,0,1,0,0|2,0,0]=4 19976 B11R1.224 COC(=O)CCN1CC(C1)C 34a_100000702820_100000742370 [0,1,0,1,0,0|2,0,0]=4 19977 B11R1.224 COC(=O)CCN1CC(C1)F 2230a_100000690557_100000204255 [0,1,0,1,0,0|2,0,0]=4 19978 B11R1.224 COC(=O)CCN1CC(C1)F 269982a_100000690557_100000204255 [0,1,0,1,0,0|2,0,0]=4 19979 B11R1.224 COC(=O)CCN1CC(C1)F 34a_100000690557_100000742370 [0,1,0,1,0,0|2,0,0]=4 19980 B11R1.224 COC(=O)CCN1CC(C1)O 269982a_100000749847_100000204255 [0,1,0,1,0,0|2,0,0]=4 19981 B11R1.224 COC(=O)CNC1CC(C1)F 2230a_100016993743_100000747449 [0,1,0,1,0,0|2,0,0]=4 19982 B11R1.224 COC(=O)CN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000747449 [0,1,0,1,0,0|2,0,0]=4 19983 B11R1.224 O=C(CO)NCC1CC(C1)O 240690a_100016992100_100000210174 [0,1,0,1,0,0|2,0,0]=4 19984 B11R1.227 CC1(CCCN1C(=O)CO)C 240690a_100000761399_100000210174 [0,1,0,1,0,0|2,0,0]=4 19985 B11R1.227 CC1(CCCN1C(=O)CO)C 527a_100000761399_100000210174 [0,1,0,1,0,0|2,0,0]=4 19986 B11R1.227 CCC(=O)N1CCCC1(C)C 11a_100000761399_100000210414 [0,1,0,1,0,0|1,0,0]=3 19987 B11R1.227 CCC(=O)N1CCCC1(C)C 1626a_100000761399_100000210414 [0,1,0,1,0,0|1,0,0]=3 19988 B11R1.227 CCC(=O)N1CCCC1(C)C 240690a_100000761399_100000210414 [0,1,0,1,0,0|1,0,0]=3 19989 B11R1.227 CCC(=O)N1CCCC1(C)C 527a_100000761399_100000210414 [0,1,0,1,0,0|1,0,0]=3 19990 B11R1.227 CCC(=O)N1CCSC1(C)C 11a_100011217261_100000210414 [0,1,0,1,0,0|2,0,0]=4 19991 B11R1.227 CCC(=O)N1CCSC1(C)C 1626a_100011217261_100000210414 [0,1,0,1,0,0|2,0,0]=4 19992 B11R1.227 CCC(=O)N1CCSC1(C)C 240690a_100011217261_100000210414 [0,1,0,1,0,0|2,0,0]=4 19993 B11R1.227 CCC(=O)N1CCSC1(C)C 527a_100011217261_100000210414 [0,1,0,1,0,0|2,0,0]=4 19994 B11R1.227 CCC(=O)N1COCC1(C)C 1626a_100000043020_100000210414 [0,1,0,1,0,0|2,0,0]=4 19995 B11R1.227 CCC(=O)N1COCC1(C)C 240690a_100000043020_100000210414 [0,1,0,1,0,0|2,0,0]=4 19996 B11R1.227 CCC(=O)[C@@H]1CCC[N+]1(C)C 1458a_100016991750_100000210202 [0,1,0,1,0,0|1,0,0]=3 19997 B11R1.227 CNC(=O)N1CCCC1(C)C 2708a_100102657272_100000761399 [0,1,0,1,0,0|2,0,0]=4 19998 B11R1.227 CNC(=O)N1CCCC1(C)C 273464a_100102657272_100000761399 [0,1,0,1,0,0|2,0,0]=4 19999 B11R1.227 CNC(=O)[C@@H]1CCC[N+]1(C)C 240690a_100102657272_100016991750 [0,1,0,1,0,0|2,0,0]=4 20000 B11R1.227 CNC(=O)[C@@H]1CCC[N+]1(C)C 527a_100102657272_100016991750 [0,1,0,1,0,0|2,0,0]=4 20001 B11R1.227 C[N+]1(CCC[C@H]1C(=O)CF)C 1458a_100016991750_100015361967 [0,1,0,1,0,0|2,0,0]=4 20002 B11R1.235 CCC(=O)COCC1CC1C 7a_100000744939_100000747405 [0,1,0,1,0,0|0,0,0]=2 20003 B11R1.235 CCC(C)COCC1CC1C 34a_100000744939_100000748023 [0,1,0,1,0,0|1,0,1]=4 20004 B11R1.235 CCC(C)COCC1CC1C 7a_100000744939_100000748023 [0,1,0,1,0,0|1,0,1]=4 20005 B11R1.235 CCC(O)COCC1CC1C 34a_100000744939_100011218378 [0,1,0,1,0,0|0,0,2]=4 20006 B11R1.235 CCC(O)COCC1CC1C 7a_100000744939_100011218378 [0,1,0,1,0,0|0,0,2]=4 20007 B11R1.235 CC[C@H](C)COCC1CC1C 34a_100000744939_100009816398 [0,1,0,1,0,0|1,0,1]=4 20008 B11R1.235 CC[C@H](C)COCC1CC1C 7a_100000744939_100009816398 [0,1,0,1,0,0|1,0,1]=4 20009 B11R1.235 CNC(=O)CCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000737683 [0,1,0,1,0,0|2,0,0]=4 20010 B11R1.235 CNC(=O)CCN[C@@H]1C[C@H]1F 2230a_100025746932_100000737683 [0,1,0,1,0,0|2,0,0]=4 20011 B11R1.235 CNC(=O)CCN[C@@H]1C[C@H]1F 34a_100025746932_100012179268 [0,1,0,1,0,0|2,0,0]=4 20012 B11R1.235 CNC(=O)COCC1CC1C 34a_100000744939_100000183359 [0,1,0,1,0,0|1,0,0]=3 20013 B11R1.235 CNC(=O)COCC1CC1C 7a_100000744939_100000183359 [0,1,0,1,0,0|1,0,0]=3 20014 B11R1.235 COC(=O)CCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000204255 [0,1,0,1,0,0|2,0,0]=4 20015 B11R1.235 COC(=O)CCN[C@@H]1C[C@H]1F 2230a_100025746932_100000204255 [0,1,0,1,0,0|2,0,0]=4 20016 B11R1.235 COC(=O)CCN[C@@H]1C[C@H]1F 34a_100025746932_100000742370 [0,1,0,1,0,0|2,0,0]=4 20017 B11R1.235 COC(=O)COCC1CC1C 34a_100000744939_100000747449 [0,1,0,1,0,0|1,0,0]=3 20018 B11R1.235 COC(=O)COCC1CC1C 7a_100000744939_100000747449 [0,1,0,1,0,0|1,0,0]=3 20019 B11R1.237 CCC(=O)COCCC1CC1 34a_100000725409_100000694398 [0,1,0,1,0,0|0,0,0]=2 20020 B11R1.237 CCC(=O)COCCC1CC1 7a_100000754188_100000747405 [0,1,0,1,0,0|0,0,0]=2 20021 B11R1.237 CCC(=O)COCCC1CO1 34a_100000725409_100000732470 [0,1,0,1,0,0|1,0,0]=3 20022 B11R1.237 CCC(=O)CSCCC1CC1 62a_100000747405_100000764125 [0,1,0,1,0,0|0,0,0]=2 20023 B11R1.237 CCC(=O)CSCCC1CC1 62a_100000764125_100000747405 [0,1,0,1,0,0|0,0,0]=2 20024 B11R1.237 CCC(=O)CSCCC1CO1 62a_100000732470_100000747405 [0,1,0,1,0,0|1,0,0]=3 20025 B11R1.237 CCC(=O)CSCCC1CO1 62a_100000747405_100000732470 [0,1,0,1,0,0|1,0,0]=3 20026 B11R1.237 CCC(=O)NCCNC1CC1 34a_100132302217_100000211595 [0,1,0,1,0,0|1,0,0]=3 20027 B11R1.237 CCC(=O)NCCOC1CC1 34a_200000158885_100000211595 [0,1,0,1,0,0|1,0,0]=3 20028 B11R1.237 CCC(C)CCNCC1CC1 2230a_100020591266_100000742324 [0,1,0,1,0,0|1,0,1]=4 20029 B11R1.237 CCC(C)CCNCC1CC1 269862a_100020591266_100000741477 [0,1,0,1,0,0|1,0,1]=4 20030 B11R1.237 CCC(C)CCOCC1CC1 7a_100011215188_100000742324 [0,1,0,1,0,0|1,0,1]=4 20031 B11R1.237 CCC(C)CNCCC1CC1 2230a_100020588543_100000694398 [0,1,0,1,0,0|1,0,1]=4 20032 B11R1.237 CCC(C)CNCCC1CC1 270004a_100000764129_100000243153 [0,1,0,1,0,0|1,0,1]=4 20033 B11R1.237 CCC(C)CNCCC1CC1 34a_100000764129_100000748023 [0,1,0,1,0,0|1,0,1]=4 20034 B11R1.237 CCC(C)COCCC1CC1 34a_100000754188_100000748023 [0,1,0,1,0,0|1,0,1]=4 20035 B11R1.237 CCC(C)COCCC1CC1 7a_100000754188_100000748023 [0,1,0,1,0,0|1,0,1]=4 20036 B11R1.237 CCC(C)CSCCC1CC1 62a_100000748023_100000764125 [0,1,0,1,0,0|1,0,1]=4 20037 B11R1.237 CCC(C)CSCCC1CC1 62a_100000764125_100000748023 [0,1,0,1,0,0|1,0,1]=4 20038 B11R1.237 CCC(O)CNCCC1CC1 2230a_100011218483_100000694398 [0,1,0,1,0,0|0,0,2]=4 20039 B11R1.237 CCC(O)CNCCC1CC1 34a_100000764129_100011218378 [0,1,0,1,0,0|0,0,2]=4 20040 B11R1.237 CCC(O)COCCC1CC1 34a_100000754188_100011218378 [0,1,0,1,0,0|0,0,2]=4 20041 B11R1.237 CCC(O)COCCC1CC1 7a_100000754188_100011218378 [0,1,0,1,0,0|0,0,2]=4 20042 B11R1.237 CCC(O)CSCCC1CC1 62a_100000764125_100011218378 [0,1,0,1,0,0|0,0,2]=4 20043 B11R1.237 CCC(O)CSCCC1CC1 62a_100011218378_100000764125 [0,1,0,1,0,0|0,0,2]=4 20044 B11R1.237 CC[C@H](C)CNCCC1CC1 34a_100000764129_100009816398 [0,1,0,1,0,0|1,0,1]=4 20045 B11R1.237 CC[C@H](C)COCCC1CC1 34a_100000754188_100009816398 [0,1,0,1,0,0|1,0,1]=4 20046 B11R1.237 CC[C@H](C)COCCC1CC1 7a_100000754188_100009816398 [0,1,0,1,0,0|1,0,1]=4 20047 B11R1.237 CC[C@H](C)COCCC1CC1 7a_100009816381_100000764125 [0,1,0,1,0,0|1,0,1]=4 20048 B11R1.237 CC[C@H](C)CSCCC1CC1 62a_100000764125_100009816398 [0,1,0,1,0,0|1,0,1]=4 20049 B11R1.237 CC[C@H](C)CSCCC1CC1 62a_100009816398_100000764125 [0,1,0,1,0,0|1,0,1]=4 20050 B11R1.237 CNC(=O)CCCNC1CC1 34a_100000212008_100000741757 [0,1,0,1,0,0|1,0,0]=3 20051 B11R1.237 CNC(=O)CCCNC1CC1 34a_100000740002_100000211595 [0,1,0,1,0,0|1,0,0]=3 20052 B11R1.237 CNC(=O)CCCSC1CC1 62a_100000741757_100000211595 [0,1,0,1,0,0|1,0,0]=3 20053 B11R1.237 CNC(=O)CCNCC1CC1 2230a_100000735609_100000737683 [0,1,0,1,0,0|1,0,0]=3 20054 B11R1.237 CNC(=O)CCNCC1CC1 2230a_100000738227_100000742324 [0,1,0,1,0,0|1,0,0]=3 20055 B11R1.237 CNC(=O)CCNCC1CC1 269862a_100000738227_100000741477 [0,1,0,1,0,0|1,0,0]=3 20056 B11R1.237 CNC(=O)CCNCC1CC1 34a_100000735609_100012179268 [0,1,0,1,0,0|1,0,0]=3 20057 B11R1.237 CNC(=O)CCNCC1CC1 34a_100000738227_100000742324 [0,1,0,1,0,0|1,0,0]=3 20058 B11R1.237 CNC(=O)CCNCC1CO1 2230a_100000738227_100011216344 [0,1,0,1,0,0|2,0,0]=4 20059 B11R1.237 CNC(=O)CCNCC1CO1 34a_100000738227_102125554688 [0,1,0,1,0,0|2,0,0]=4 20060 B11R1.237 CNC(=O)CCOCC1CC1 34a_100000211283_100012179268 [0,1,0,1,0,0|1,0,0]=3 20061 B11R1.237 CNC(=O)CCOCC1CC1 34a_100000754576_100000742324 [0,1,0,1,0,0|1,0,0]=3 20062 B11R1.237 CNC(=O)CCOCC1CO1 34a_100000754576_102125554688 [0,1,0,1,0,0|2,0,0]=4 20063 B11R1.237 CNC(=O)CCOC[C@@H]1CO1 34a_100000757423_100012179268 [0,1,0,1,0,0|2,0,0]=4 20064 B11R1.237 CNC(=O)CCSCC1CC1 62a_100000737683_100000742324 [0,1,0,1,0,0|1,0,0]=3 20065 B11R1.237 CNC(=O)CCSCC1CC1 62a_100000756562_100000737683 [0,1,0,1,0,0|1,0,0]=3 20066 B11R1.237 CNC(=O)CCSCC1CO1 62a_100000737683_102125554688 [0,1,0,1,0,0|2,0,0]=4 20067 B11R1.237 CNC(=O)CCSCC1CO1 62a_102125554688_100000737683 [0,1,0,1,0,0|2,0,0]=4 20068 B11R1.237 CNC(=O)CCSCC1CS1 62a_100000031435_100000737683 [0,1,0,1,0,0|2,0,0]=4 20069 B11R1.237 CNC(=O)CCSCC1CS1 62a_100000737683_100000031435 [0,1,0,1,0,0|2,0,0]=4 20070 B11R1.237 CNC(=O)CCSC[C@@H]1CO1 62a_100000737683_100000745022 [0,1,0,1,0,0|2,0,0]=4 20071 B11R1.237 CNC(=O)CCSC[C@@H]1CO1 62a_100000745022_100000737683 [0,1,0,1,0,0|2,0,0]=4 20072 B11R1.237 CNC(=O)CNCCC1CC1 2230a_100000693194_100000694398 [0,1,0,1,0,0|1,0,0]=3 20073 B11R1.237 CNC(=O)CNCCC1CC1 34a_100000764129_100000183359 [0,1,0,1,0,0|1,0,0]=3 20074 B11R1.237 CNC(=O)CNCCC1CO1 2230a_100000693194_100000732470 [0,1,0,1,0,0|2,0,0]=4 20075 B11R1.237 CNC(=O)COCCC1CC1 34a_100000750040_100000694398 [0,1,0,1,0,0|1,0,0]=3 20076 B11R1.237 CNC(=O)COCCC1CC1 34a_100000754188_100000183359 [0,1,0,1,0,0|1,0,0]=3 20077 B11R1.237 CNC(=O)COCCC1CC1 7a_100000754188_100000183359 [0,1,0,1,0,0|1,0,0]=3 20078 B11R1.237 CNC(=O)COCCC1CO1 34a_100000750040_100000732470 [0,1,0,1,0,0|2,0,0]=4 20079 B11R1.237 CNC(=O)COCC[C@@H]1CO1 34a_100009820653_100000183359 [0,1,0,1,0,0|2,0,0]=4 20080 B11R1.237 CNC(=O)CSCCC1CC1 62a_100000183359_100000764125 [0,1,0,1,0,0|1,0,0]=3 20081 B11R1.237 CNC(=O)CSCCC1CC1 62a_100000764125_100000183359 [0,1,0,1,0,0|1,0,0]=3 20082 B11R1.237 CNC(=O)CSCCC1CO1 62a_100000183359_100000732470 [0,1,0,1,0,0|2,0,0]=4 20083 B11R1.237 CNC(=O)CSCCC1CO1 62a_100000732470_100000183359 [0,1,0,1,0,0|2,0,0]=4 20084 B11R1.237 CNC(=O)NCCNC1CC1 34a_100015205895_100000211595 [0,1,0,1,0,0|2,0,0]=4 20085 B11R1.237 CNC(=O)OCCNC1CC1 34a_100000212008_200011997002 [0,1,0,1,0,0|2,0,0]=4 20086 B11R1.237 CNC(=O)OCCSC1CC1 62a_200011997002_100000211595 [0,1,0,1,0,0|2,0,0]=4 20087 B11R1.237 COC(=O)CCCNC1CC1 34a_100000212008_100000742333 [0,1,0,1,0,0|1,0,0]=3 20088 B11R1.237 COC(=O)CCCSC1CC1 62a_100011218270_100000211595 [0,1,0,1,0,0|1,0,0]=3 20089 B11R1.237 COC(=O)CCNCC1CC1 2230a_100000735609_100000204255 [0,1,0,1,0,0|1,0,0]=3 20090 B11R1.237 COC(=O)CCNCC1CC1 34a_100000735609_100000742370 [0,1,0,1,0,0|1,0,0]=3 20091 B11R1.237 COC(=O)CCOCC1CC1 34a_100000211283_100000742370 [0,1,0,1,0,0|1,0,0]=3 20092 B11R1.237 COC(=O)CCOC[C@@H]1CO1 34a_100000757423_100000742370 [0,1,0,1,0,0|2,0,0]=4 20093 B11R1.237 COC(=O)CCSCC1CC1 62a_100000204255_100000742324 [0,1,0,1,0,0|1,0,0]=3 20094 B11R1.237 COC(=O)CCSCC1CC1 62a_100000756562_100000204255 [0,1,0,1,0,0|1,0,0]=3 20095 B11R1.237 COC(=O)CCSCC1CO1 62a_100000204255_102125554688 [0,1,0,1,0,0|2,0,0]=4 20096 B11R1.237 COC(=O)CCSCC1CO1 62a_102125554688_100000204255 [0,1,0,1,0,0|2,0,0]=4 20097 B11R1.237 COC(=O)CCSCC1CS1 62a_100000031435_100000204255 [0,1,0,1,0,0|2,0,0]=4 20098 B11R1.237 COC(=O)CCSCC1CS1 62a_100000204255_100000031435 [0,1,0,1,0,0|2,0,0]=4 20099 B11R1.237 COC(=O)CCSC[C@@H]1CO1 62a_100000204255_100000745022 [0,1,0,1,0,0|2,0,0]=4 20100 B11R1.237 COC(=O)CCSC[C@@H]1CO1 62a_100000745022_100000204255 [0,1,0,1,0,0|2,0,0]=4 20101 B11R1.237 COC(=O)CNCCC1CC1 34a_100000764129_100000747449 [0,1,0,1,0,0|1,0,0]=3 20102 B11R1.237 COC(=O)COCCC1CC1 34a_100000754188_100000747449 [0,1,0,1,0,0|1,0,0]=3 20103 B11R1.237 COC(=O)COCCC1CC1 7a_100000754188_100000747449 [0,1,0,1,0,0|1,0,0]=3 20104 B11R1.237 COC(=O)COCC[C@@H]1CO1 34a_100009820653_100000747449 [0,1,0,1,0,0|2,0,0]=4 20105 B11R1.237 COC(=O)CSCCC1CC1 62a_100000747449_100000764125 [0,1,0,1,0,0|1,0,0]=3 20106 B11R1.237 COC(=O)CSCCC1CC1 62a_100000764125_100000747449 [0,1,0,1,0,0|1,0,0]=3 20107 B11R1.237 COC(=O)CSCCC1CO1 62a_100000732470_100000747449 [0,1,0,1,0,0|2,0,0]=4 20108 B11R1.237 COC(=O)CSCCC1CO1 62a_100000747449_100000732470 [0,1,0,1,0,0|2,0,0]=4 20109 B11R1.237 COC(=O)NCCOC1CC1 34a_100000757965_100000211595 [0,1,0,1,0,0|2,0,0]=4 20110 B11R1.237 COC(=O)OCCOC1CC1 34a_100010262106_100000211595 [0,1,0,1,0,0|2,0,0]=4 20111 B11R1.237 COC(=O)OCSCC1CC1 62a_100000756562_100000139417 [0,1,0,1,0,0|2,0,0]=4 20112 B11R1.237 NNC(=O)CCCOC1CC1 34a_100000211488_100000211595 [0,1,0,1,0,0|2,0,0]=4 20113 B11R1.266 CCN1CCCC(C1)C(C)O 2230a_100000740858_100000210202 [0,1,0,1,0,0|2,0,0]=4 20114 B11R1.266 CCN1CCCC(C1)C(C)O 269982a_100000740858_100000204670 [0,1,0,1,0,0|2,0,0]=4 20115 B11R1.266 CCN1CCCC(C1)C(C)O 34a_100000740858_100000210202 [0,1,0,1,0,0|2,0,0]=4 20116 B11R1.565 CC(C)N1CCNC(=O)CC1 2230a_100000698595_100000210206 [0,1,0,1,0,0|2,0,0]=4 20117 B11R1.565 CC(C)N1CCNC(=O)CC1 269982a_100000698595_100000210206 [0,1,0,1,0,0|2,0,0]=4 20118 B11R1.849 COC(=O)C1CN1CC(C)C 2230a_200009830135_100000210760 [0,1,0,1,0,0|2,0,0]=4 20119 B11R1.849 COC(=O)C1CN1CC(C)C 270004a_200009830135_100000210432 [0,1,0,1,0,0|2,0,0]=4 20120 B11R1.849 COC(=O)C1CN1CC(C)O 2230a_200009830135_100011218427 [0,1,0,1,0,0|2,0,0]=4 20121 B11R1.849 COC(=O)C1CN1C[C@@H](C)O 2230a_200009830135_100009817552 [0,1,0,1,0,0|2,0,0]=4 20122 B11R1.870 CCC(=O)[C@@H]1CCN1C(=O)C 1458a_200015362969_100000210202 [0,1,0,1,0,0|1,0,1]=4 20123 B11R1.870 COC(=O)[C@@H]1CCN1C(C)C 2230a_102516456887_100000210206 [0,1,0,1,0,0|2,0,0]=4 20124 B11R1.870 COC(=O)[C@@H]1CCN1C(C)C 269982a_102516456887_100000210206 [0,1,0,1,0,0|2,0,0]=4 20125 B11R1.870 COC(=O)[C@@H]1CC[C@@H]1C(=O)C 1458a_100009908320_200000210301 [0,1,0,1,0,0|1,0,1]=4 20126 B11R1.870 COC(=O)[C@@H]1CC[C@@H]1C(=O)[13CH3] 1458a_100009908320_200025704644 [0,1,0,1,0,0|1,0,1]=4 20127 B11R1.22 C#CC(=O)C1CCC(CC1)C 1458a_100000211873_200011216234 [0,1,0,1,0,0|0,0,2]=4 20128 B11R1.22 C=C1CCC(CC1)C(=O)CC 1458a_200000138047_100000210202 [0,1,0,1,0,0|0,0,1]=3 20129 B11R1.22 C=C1CCC(CC1)C(=O)CF 1458a_200000138047_100015361967 [0,1,0,1,0,0|1,0,1]=4 20130 B11R1.22 C=C1CCC(CC1)C(=O)NC 11a_106832991635_200000138047 [0,1,0,1,0,0|1,0,1]=4 20131 B11R1.22 C=C1CCC(CC1)C(=O)NC 1626a_100102657272_200000138047 [0,1,0,1,0,0|1,0,1]=4 20132 B11R1.22 C=C1CCC(CC1)C(=O)NC 240690a_100102657272_200000138047 [0,1,0,1,0,0|1,0,1]=4 20133 B11R1.22 C=C1CCC(CC1)C(=O)NC 527a_100102657272_200000138047 [0,1,0,1,0,0|1,0,1]=4 20134 B11R1.22 C=C1CCN(CC1)C(=O)CC 11a_100000752442_100000210414 [0,1,0,1,0,0|1,0,1]=4 20135 B11R1.22 C=C1CCN(CC1)C(=O)CC 1626a_100000752442_100000210414 [0,1,0,1,0,0|1,0,1]=4 20136 B11R1.22 C=C1CCN(CC1)C(=O)CC 240690a_100000752442_100000210414 [0,1,0,1,0,0|1,0,1]=4 20137 B11R1.22 C=C1CCN(CC1)C(=O)CC 527a_100000752442_100000210414 [0,1,0,1,0,0|1,0,1]=4 20138 B11R1.22 C=C1CCN(CC1)C(C)CC 2230a_100000752442_100000758301 [0,1,0,1,0,0|2,0,0]=4 20139 B11R1.22 C=C1CCN(CC1)C(C)CC 269982a_100000752442_100000758301 [0,1,0,1,0,0|2,0,0]=4 20140 B11R1.22 C=C1CCN(CC1)C(C)CC 34a_100000752442_100011215416 [0,1,0,1,0,0|2,0,0]=4 20141 B11R1.22 C=CC(=O)C1CCC(CC1)C 1458a_100000185746_200011216234 [0,1,0,1,0,0|0,0,2]=4 20142 B11R1.22 CC1CCC(CC1)C(=O)CO 1458a_100000210174_200011216234 [0,1,0,1,0,0|1,0,0]=3 20143 B11R1.22 CC1CCN(CC1)C(=O)CO 240690a_100000188429_100000210174 [0,1,0,1,0,0|2,0,0]=4 20144 B11R1.22 CC1CCN(CC1)C(=O)CO 527a_100000188429_100000210174 [0,1,0,1,0,0|2,0,0]=4 20145 B11R1.22 CCC(=O)C1CC=C(CC1)C 1458a_100000137427_100000210202 [0,1,0,1,0,0|0,0,2]=4 20146 B11R1.22 CCC(=O)C1CCC(=O)NC1 1458a_100000740907_100000210202 [0,1,0,1,0,0|1,0,1]=4 20147 B11R1.22 CCC(=O)C1CCC(CC1)C 1458a_100000210414_200011216234 [0,1,0,1,0,0|0,0,0]=2 20148 B11R1.22 CCC(=O)C1CCC(CC1)O 1458a_100000743365_100000210202 [0,1,0,1,0,0|0,0,0]=2 20149 B11R1.22 CCC(=O)C1CCN(CC1)C 1458a_100000743488_100000210202 [0,1,0,1,0,0|1,0,0]=3 20150 B11R1.22 CCC(=O)N1CCC(CC1)C 240690a_100000188429_100000210414 [0,1,0,1,0,0|1,0,0]=3 20151 B11R1.22 CCC(=O)N1CCC(CC1)C 527a_100000188429_100000210414 [0,1,0,1,0,0|1,0,0]=3 20152 B11R1.22 CCC(=O)N1CCC(CC1)F 11a_100015193889_100000210414 [0,1,0,1,0,0|1,0,0]=3 20153 B11R1.22 CCC(=O)N1CCC(CC1)F 1626a_100015193889_100000210414 [0,1,0,1,0,0|1,0,0]=3 20154 B11R1.22 CCC(=O)N1CCC(CC1)F 240690a_100015193889_100000210414 [0,1,0,1,0,0|1,0,0]=3 20155 B11R1.22 CCC(=O)N1CCC(CC1)F 527a_100015193889_100000210414 [0,1,0,1,0,0|1,0,0]=3 20156 B11R1.22 CCC(=O)N1CCC(CC1)O 240690a_100025773856_100000210414 [0,1,0,1,0,0|1,0,0]=3 20157 B11R1.22 CCC(=O)N1CCC(CC1)O 527a_100025773856_100000210414 [0,1,0,1,0,0|1,0,0]=3 20158 B11R1.22 CCC(=O)N1CCN(CC1)C 11a_100000188432_100000210414 [0,1,0,1,0,0|2,0,0]=4 20159 B11R1.22 CCC(=O)N1CCN(CC1)C 2230a_100000749825_200000210301 [0,1,0,1,0,0|2,0,0]=4 20160 B11R1.22 CCC(=O)N1CCN(CC1)C 240690a_100000188432_100000210414 [0,1,0,1,0,0|2,0,0]=4 20161 B11R1.22 CCC(=O)N1CCN(CC1)C 269982a_100000749825_200000210301 [0,1,0,1,0,0|2,0,0]=4 20162 B11R1.22 CCC(=O)N1CCN(CC1)C 527a_100000188432_100000210414 [0,1,0,1,0,0|2,0,0]=4 20163 B11R1.22 CCC(=O)N1CCN(CC1)[13CH3] 2230a_100000749825_200025704644 [0,1,0,1,0,0|2,0,0]=4 20164 B11R1.22 CCC(=O)N1CCN(CC1)[13CH3] 269982a_100000749825_200025704644 [0,1,0,1,0,0|2,0,0]=4 20165 B11R1.22 CCC(=O)N1CCS(=O)CC1 240690a_100000752083_100000210414 [0,1,0,1,0,0|2,0,0]=4 20166 B11R1.22 CCC(=O)N1CCS(=O)CC1 527a_100000752083_100000210414 [0,1,0,1,0,0|2,0,0]=4 20167 B11R1.22 CCC(=O)[C@H]1CC[C@@H](CC1)C 1458a_100009815934_100000210202 [0,1,0,1,0,0|0,0,0]=2 20168 B11R1.22 CCC(C)N1CCS(=O)CC1 2230a_100000752083_100000758301 [0,1,0,1,0,0|2,0,0]=4 20169 B11R1.22 CCC(C)N1CCS(=O)CC1 269982a_100000752083_100000758301 [0,1,0,1,0,0|2,0,0]=4 20170 B11R1.22 CCC(O)C1CCN(CC1)C 2230a_100011935121_200000210301 [0,1,0,1,0,0|2,0,0]=4 20171 B11R1.22 CCC(O)C1CCN(CC1)C 269982a_100011935121_200000210301 [0,1,0,1,0,0|2,0,0]=4 20172 B11R1.22 CCC(O)C1CCN(CC1)C 34a_100011935121_200000210301 [0,1,0,1,0,0|2,0,0]=4 20173 B11R1.22 CCC(O)C1CCN(CC1)[13CH3] 2230a_100011935121_200025704644 [0,1,0,1,0,0|2,0,0]=4 20174 B11R1.22 CCC(O)C1CCN(CC1)[13CH3] 269982a_100011935121_200025704644 [0,1,0,1,0,0|2,0,0]=4 20175 B11R1.22 CCC(O)C1CCN(CC1)[13CH3] 34a_100011935121_200025704644 [0,1,0,1,0,0|2,0,0]=4 20176 B11R1.22 CCN(C)C1CCC(CC1)C 269982a_100000225621_200011216234 [0,1,0,1,0,0|2,0,0]=4 20177 B11R1.22 CCN(C)[C@H]1CC[C@H](CC1)O 2230a_100020636401_100000210202 [0,1,0,1,0,0|2,0,0]=4 20178 B11R1.22 CCN(C)[C@H]1CC[C@H](CC1)O 269982a_100020636401_100000204670 [0,1,0,1,0,0|2,0,0]=4 20179 B11R1.22 CN1CCC(CC1)C(=O)CF 1458a_100000743488_100015361967 [0,1,0,1,0,0|2,0,0]=4 20180 B11R1.22 CNC(=O)C1CCC(CC1)O 1626a_100102657272_100000743365 [0,1,0,1,0,0|1,0,0]=3 20181 B11R1.22 CNC(=O)C1CCC(CC1)O 240690a_100102657272_100000743365 [0,1,0,1,0,0|1,0,0]=3 20182 B11R1.22 CNC(=O)C1CCC(CC1)O 527a_100102657272_100000743365 [0,1,0,1,0,0|1,0,0]=3 20183 B11R1.22 CNC(=O)C1CCN(CC1)C 2230a_100000746005_200000210301 [0,1,0,1,0,0|2,0,0]=4 20184 B11R1.22 CNC(=O)C1CCN(CC1)C 240690a_100102657272_100000743488 [0,1,0,1,0,0|2,0,0]=4 20185 B11R1.22 CNC(=O)C1CCN(CC1)C 269982a_100000746005_200000210301 [0,1,0,1,0,0|2,0,0]=4 20186 B11R1.22 CNC(=O)C1CCN(CC1)C 34a_100000746005_200000210301 [0,1,0,1,0,0|2,0,0]=4 20187 B11R1.22 CNC(=O)C1CCN(CC1)C 527a_100102657272_100000743488 [0,1,0,1,0,0|2,0,0]=4 20188 B11R1.22 CNC(=O)C1CCN(CC1)[13CH3] 2230a_100000746005_200025704644 [0,1,0,1,0,0|2,0,0]=4 20189 B11R1.22 CNC(=O)C1CCN(CC1)[13CH3] 269982a_100000746005_200025704644 [0,1,0,1,0,0|2,0,0]=4 20190 B11R1.22 CNC(=O)C1CCN(CC1)[13CH3] 34a_100000746005_200025704644 [0,1,0,1,0,0|2,0,0]=4 20191 B11R1.22 CNC(=O)N1CCC(CC1)C 2708a_100102657272_100000188429 [0,1,0,1,0,0|2,0,0]=4 20192 B11R1.22 CNC(=O)N1CCC(CC1)C 273464a_100102657272_100000188429 [0,1,0,1,0,0|2,0,0]=4 20193 B11R1.22 CNC(=O)N1CCC(CC1)F 2708a_100102657272_100015193889 [0,1,0,1,0,0|2,0,0]=4 20194 B11R1.22 CNC(=O)N1CCC(CC1)F 273464a_100102657272_100015193889 [0,1,0,1,0,0|2,0,0]=4 20195 B11R1.22 CNC(=O)N1CCC(CC1)O 2708a_100102657272_100025773856 [0,1,0,1,0,0|2,0,0]=4 20196 B11R1.22 CNC(=O)N1CCC(CC1)O 273464a_100102657272_100025773856 [0,1,0,1,0,0|2,0,0]=4 20197 B11R1.22 CNC(=O)[C@H]1CC[C@@H](CC1)C 11a_106832991635_100009815934 [0,1,0,1,0,0|1,0,0]=3 20198 B11R1.22 CNC(=O)[C@H]1CC[C@@H](CC1)C 1626a_100102657272_100009815934 [0,1,0,1,0,0|1,0,0]=3 20199 B11R1.22 CNC(=O)[C@H]1CC[C@@H](CC1)C 240690a_100102657272_100009815934 [0,1,0,1,0,0|1,0,0]=3 20200 B11R1.22 CNC(=O)[C@H]1CC[C@@H](CC1)C 527a_100102657272_100009815934 [0,1,0,1,0,0|1,0,0]=3 20201 B11R1.22 COC(=O)C1CCN(CC1)C 2230a_100000212072_200000210301 [0,1,0,1,0,0|2,0,0]=4 20202 B11R1.22 COC(=O)C1CCN(CC1)C 269982a_100000212072_200000210301 [0,1,0,1,0,0|2,0,0]=4 20203 B11R1.22 COC(=O)C1CCN(CC1)[13CH3] 2230a_100000212072_200025704644 [0,1,0,1,0,0|2,0,0]=4 20204 B11R1.22 COC(=O)C1CCN(CC1)[13CH3] 269982a_100000212072_200025704644 [0,1,0,1,0,0|2,0,0]=4 20205 B11R1.22 C[C@H]1CC[C@@H](CC1)C(=O)CF 1458a_100009815934_100015361967 [0,1,0,1,0,0|1,0,0]=3 20206 B11R1.22 O=C(CF)C1CCC(CC1)O 1458a_100000743365_100015361967 [0,1,0,1,0,0|1,0,0]=3 20207 B11R1.22 O=C(CO)N1CCC(CC1)F 240690a_100015193889_100000210174 [0,1,0,1,0,0|2,0,0]=4 20208 B11R1.22 O=C(CO)N1CCC(CC1)F 527a_100015193889_100000210174 [0,1,0,1,0,0|2,0,0]=4 20209 B11R1.22 O=C(CO)N1CCC(CC1)O 240690a_100025773856_100000210174 [0,1,0,1,0,0|2,0,0]=4 20210 B11R1.22 O=C(CO)N1CCC(CC1)O 527a_100025773856_100000210174 [0,1,0,1,0,0|2,0,0]=4 20211 B11R1.44 CCC(=O)C1CCN(C1)CC 1458a_100103286618_100000210202 [0,1,0,1,0,0|1,0,0]=3 20212 B11R1.44 CCC(=O)N1CCC(C1)CO 240690a_100000748654_100000210414 [0,1,0,1,0,0|2,0,0]=4 20213 B11R1.44 CCC(=O)N1CCC(C1)CO 527a_100000748654_100000210414 [0,1,0,1,0,0|2,0,0]=4 20214 B11R1.44 CCC(=O)N1CC[C@H](C1)OC 11a_100000766984_100000210414 [0,1,0,1,0,0|2,0,0]=4 20215 B11R1.44 CCC(=O)N1CC[C@H](C1)OC 1626a_100000766984_100000210414 [0,1,0,1,0,0|2,0,0]=4 20216 B11R1.44 CCC(=O)N1CC[C@H](C1)OC 240690a_100000766984_100000210414 [0,1,0,1,0,0|2,0,0]=4 20217 B11R1.44 CCC(=O)N1CC[C@H](C1)OC 527a_100000766984_100000210414 [0,1,0,1,0,0|2,0,0]=4 20218 B11R1.44 CCN1CCC(C1)C(=O)CF 1458a_100103286618_100015361967 [0,1,0,1,0,0|2,0,0]=4 20219 B11R1.44 CCN1CCC(C1)C(=O)NC 11a_106832991635_100103286618 [0,1,0,1,0,0|2,0,0]=4 20220 B11R1.44 CCN1CCC(C1)C(=O)NC 2230a_100020588580_100000210202 [0,1,0,1,0,0|2,0,0]=4 20221 B11R1.44 CCN1CCC(C1)C(=O)NC 240690a_100102657272_100103286618 [0,1,0,1,0,0|2,0,0]=4 20222 B11R1.44 CCN1CCC(C1)C(=O)NC 269982a_100020588580_100000204670 [0,1,0,1,0,0|2,0,0]=4 20223 B11R1.44 CCN1CCC(C1)C(=O)NC 34a_100020588580_100000210202 [0,1,0,1,0,0|2,0,0]=4 20224 B11R1.44 CCN1CC[C@H](C1)C(=O)OC 2230a_100016989057_100000210202 [0,1,0,1,0,0|2,0,0]=4 20225 B11R1.44 CCN1CC[C@H](C1)C(=O)OC 269982a_100016989057_100000204670 [0,1,0,1,0,0|2,0,0]=4 20226 B11R1.44 COC(=O)C1CCC(C1)OC 34a_100010257243_200000210301 [0,1,0,1,0,0|2,0,0]=4 20227 B11R1.44 COC(=O)C1CCC(C1)OC 7a_100010257243_200000210301 [0,1,0,1,0,0|2,0,0]=4 20228 B11R1.44 COC(=O)C1CCC(C1)O[13CH3] 34a_100010257243_200025704644 [0,1,0,1,0,0|2,0,0]=4 20229 B11R1.44 COC(=O)C1CCC(C1)O[13CH3] 7a_100010257243_200025704644 [0,1,0,1,0,0|2,0,0]=4 20230 B11R1.223 CC(CN)COC1CCC1=O 34a_100000744482_100009892977 [0,1,0,1,0,0|2,0,0]=4 20231 B11R1.223 CC(CO)CNC1CCC1=O 34a_100000744482_100009892977 [0,1,0,1,0,0|2,0,0]=4 20232 B11R1.223 CCC(=O)CCC1CCC1=O 1458a_100000210414_200016118888 [0,1,0,1,0,0|0,0,1]=3 20233 B11R1.223 CCC(=O)COC1CCC1=O 34a_100000725409_100009892977 [0,1,0,1,0,0|1,0,1]=4 20234 B11R1.223 CCC(=O)CSC1CCC1=O 62a_100000747405_100009892977 [0,1,0,1,0,0|1,0,1]=4 20235 B11R1.223 CCC(=O)CSC1CCC1=O 62a_100009892977_100000747405 [0,1,0,1,0,0|1,0,1]=4 20236 B11R1.223 CCC(C)CSC1CCC1=O 62a_100000748023_100009892977 [0,1,0,1,0,0|1,0,0]=3 20237 B11R1.223 CCC(C)CSC1CCC1=O 62a_100009892977_100000748023 [0,1,0,1,0,0|1,0,0]=3 20238 B11R1.223 CCC(O)CSC1CCC1=O 62a_100009892977_100011218378 [0,1,0,1,0,0|1,0,0]=3 20239 B11R1.223 CCC(O)CSC1CCC1=O 62a_100011218378_100009892977 [0,1,0,1,0,0|1,0,0]=3 20240 B11R1.223 CCN(C)CCC1CCC1=O 2230a_100000225621_200016118888 [0,1,0,1,0,0|1,0,0]=3 20241 B11R1.223 CCN(C)CCC1CCC1=O 269982a_100000225621_200016118888 [0,1,0,1,0,0|1,0,0]=3 20242 B11R1.223 CC[C@H](C)COC1CCC1=O 7a_100009816381_100009892977 [0,1,0,1,0,0|1,0,0]=3 20243 B11R1.223 CC[C@H](C)CSC1CCC1=O 62a_100009816398_100009892977 [0,1,0,1,0,0|1,0,0]=3 20244 B11R1.223 CC[C@H](C)CSC1CCC1=O 62a_100009892977_100009816398 [0,1,0,1,0,0|1,0,0]=3 20245 B11R1.223 CNC(=O)CCN1CCC1C 269982a_100000755817_100000737683 [0,1,0,1,0,0|1,0,0]=3 20246 B11R1.223 CNC(=O)CCN1CCC1C 34a_100000755817_100012179268 [0,1,0,1,0,0|1,0,0]=3 20247 B11R1.223 COC(=O)CCN1CCC1C 269982a_100000755817_100000204255 [0,1,0,1,0,0|1,0,0]=3 20248 B11R1.223 COC(=O)CCN1CCC1C 34a_100000755817_100000742370 [0,1,0,1,0,0|1,0,0]=3 20249 B11R1.223 COC(C)COC1CCC1=O 34a_100000690652_100009892977 [0,1,0,1,0,0|2,0,0]=4 20250 B11R1.223 C[C@@H](CO)CSC1CCC1=O 62a_100000059175_100009892977 [0,1,0,1,0,0|2,0,0]=4 20251 B11R1.223 C[C@@H](CO)CSC1CCC1=O 62a_100009892977_100000059175 [0,1,0,1,0,0|2,0,0]=4 20252 B11R1.223 NC[C@@H](F)COC1CCC1=O 34a_100015665980_100009892977 [0,1,0,1,0,0|2,0,0]=4 20253 B11R1.223 O=C(CO)CCC1CCC1=O 1458a_100000210174_200016118888 [0,1,0,1,0,0|1,0,1]=4 20254 B11R1.223 O=C1CCC1NC[C@@H](F)CO 34a_100015665980_100009892977 [0,1,0,1,0,0|2,0,0]=4 20255 B11R1.223 O=C1CCC1OCC(Cl)CCl 34a_100000033668_100009892977 [0,1,0,1,0,0|2,0,0]=4 20256 B11R1.223 O=C1CCC1SCC(O)CO 62a_100009892977_100011219619 [0,1,0,1,0,0|2,0,0]=4 20257 B11R1.223 O=C1CCC1SCC(O)CO 62a_100011219619_100009892977 [0,1,0,1,0,0|2,0,0]=4 20258 B11R1.223 O=C1CCC1SC[C@@H](O)CF 62a_100009892977_100015614560 [0,1,0,1,0,0|2,0,0]=4 20259 B11R1.223 O=C1CCC1SC[C@@H](O)CF 62a_100015614560_100009892977 [0,1,0,1,0,0|2,0,0]=4 20260 B11R1.223 O=C1CCC1SC[C@@H](O)CO 62a_100009815848_100009892977 [0,1,0,1,0,0|2,0,0]=4 20261 B11R1.223 O=C1CCC1SC[C@@H](O)CO 62a_100009892977_100009815848 [0,1,0,1,0,0|2,0,0]=4 20262 B11R1.236 CCC(=O)COCC1CCC1 34a_100000725409_100000763275 [0,1,0,1,0,0|0,0,0]=2 20263 B11R1.236 CCC(=O)COCC1CCO1 34a_100000725409_100000103362 [0,1,0,1,0,0|1,0,0]=3 20264 B11R1.236 CCC(=O)COCC1COC1 34a_100000725409_100010264016 [0,1,0,1,0,0|1,0,0]=3 20265 B11R1.236 CCC(=O)CSCC1CCC1 62a_100000747405_100000763275 [0,1,0,1,0,0|0,0,0]=2 20266 B11R1.236 CCC(=O)CSCC1CCC1 62a_100000763275_100000747405 [0,1,0,1,0,0|0,0,0]=2 20267 B11R1.236 CCC(=O)CSCC1CCO1 62a_100000103362_100000747405 [0,1,0,1,0,0|1,0,0]=3 20268 B11R1.236 CCC(=O)CSCC1CCO1 62a_100000747405_100000103362 [0,1,0,1,0,0|1,0,0]=3 20269 B11R1.236 CCC(=O)CSCC1COC1 62a_100000747405_100010264016 [0,1,0,1,0,0|1,0,0]=3 20270 B11R1.236 CCC(=O)CSCC1COC1 62a_100010264016_100000747405 [0,1,0,1,0,0|1,0,0]=3 20271 B11R1.236 CCC(=O)NCCN1CCC1 240690a_100000691440_100000210414 [0,1,0,1,0,0|1,0,0]=3 20272 B11R1.236 CCC(=O)NN=CC1CCC1 4a_100000183195_100000753134 [0,1,0,1,0,0|1,0,1]=4 20273 B11R1.236 CCC(=O)NNCC1CCC1 22a_200020586977_100000210414 [0,1,0,1,0,0|1,0,0]=3 20274 B11R1.236 CCC(C)CCNC1CCC1 270004a_100020591266_100000241760 [0,1,0,1,0,0|1,0,1]=4 20275 B11R1.236 CCC(C)CNCC1CCC1 2230a_100000738700_100000748023 [0,1,0,1,0,0|1,0,1]=4 20276 B11R1.236 CCC(C)CNCC1CCC1 2230a_100020588543_100000763275 [0,1,0,1,0,0|1,0,1]=4 20277 B11R1.236 CCC(C)CNCC1CCC1 269862a_100020588543_100000753134 [0,1,0,1,0,0|1,0,1]=4 20278 B11R1.236 CCC(C)CNCC1CCC1 270004a_100000738700_100000243153 [0,1,0,1,0,0|1,0,1]=4 20279 B11R1.236 CCC(C)CNCC1CCC1 34a_100000738700_100000748023 [0,1,0,1,0,0|1,0,1]=4 20280 B11R1.236 CCC(C)COCC1CCC1 34a_100000760304_100000748023 [0,1,0,1,0,0|1,0,1]=4 20281 B11R1.236 CCC(C)CSCC1CCC1 62a_100000748023_100000763275 [0,1,0,1,0,0|1,0,1]=4 20282 B11R1.236 CCC(C)CSCC1CCC1 62a_100000763275_100000748023 [0,1,0,1,0,0|1,0,1]=4 20283 B11R1.236 CCC(O)CNCC1CCC1 2230a_100000738700_100011218378 [0,1,0,1,0,0|0,0,2]=4 20284 B11R1.236 CCC(O)CNCC1CCC1 2230a_100011218483_100000763275 [0,1,0,1,0,0|0,0,2]=4 20285 B11R1.236 CCC(O)CNCC1CCC1 269862a_100011218483_100000753134 [0,1,0,1,0,0|0,0,2]=4 20286 B11R1.236 CCC(O)CNCC1CCC1 34a_100000738700_100011218378 [0,1,0,1,0,0|0,0,2]=4 20287 B11R1.236 CCC(O)COCC1CCC1 34a_100000760304_100011218378 [0,1,0,1,0,0|0,0,2]=4 20288 B11R1.236 CCC(O)CSCC1CCC1 62a_100000763275_100011218378 [0,1,0,1,0,0|0,0,2]=4 20289 B11R1.236 CCC(O)CSCC1CCC1 62a_100011218378_100000763275 [0,1,0,1,0,0|0,0,2]=4 20290 B11R1.236 CCN(C)CCCN1CCC1 269982a_100000754969_100015186262 [0,1,0,1,0,0|2,0,0]=4 20291 B11R1.236 CC[C@H](C)CNCC1CCC1 2230a_100000738700_100009816398 [0,1,0,1,0,0|1,0,1]=4 20292 B11R1.236 CC[C@H](C)CNCC1CCC1 34a_100000738700_100009816398 [0,1,0,1,0,0|1,0,1]=4 20293 B11R1.236 CC[C@H](C)COCC1CCC1 34a_100000760304_100009816398 [0,1,0,1,0,0|1,0,1]=4 20294 B11R1.236 CC[C@H](C)COCC1CCC1 7a_100009816381_100000763275 [0,1,0,1,0,0|1,0,1]=4 20295 B11R1.236 CC[C@H](C)CSCC1CCC1 62a_100000763275_100009816398 [0,1,0,1,0,0|1,0,1]=4 20296 B11R1.236 CC[C@H](C)CSCC1CCC1 62a_100009816398_100000763275 [0,1,0,1,0,0|1,0,1]=4 20297 B11R1.236 CNC(=O)CCCN1CCC1 269982a_100000754969_100000741757 [0,1,0,1,0,0|1,0,0]=3 20298 B11R1.236 CNC(=O)CCNC1CCC1 2230a_100000749019_100000737683 [0,1,0,1,0,0|1,0,0]=3 20299 B11R1.236 CNC(=O)CCNC1CCC1 270004a_100000738227_100000241760 [0,1,0,1,0,0|1,0,0]=3 20300 B11R1.236 CNC(=O)CCNC1CCC1 34a_100000738227_100000749161 [0,1,0,1,0,0|1,0,0]=3 20301 B11R1.236 CNC(=O)CCNC1CCC1 34a_100000749019_100012179268 [0,1,0,1,0,0|1,0,0]=3 20302 B11R1.236 CNC(=O)CCNC1COC1 2230a_100016991112_100000737683 [0,1,0,1,0,0|2,0,0]=4 20303 B11R1.236 CNC(=O)CCNC1COC1 34a_100000738227_100009818527 [0,1,0,1,0,0|2,0,0]=4 20304 B11R1.236 CNC(=O)CCOC1CCC1 34a_100000748187_100012179268 [0,1,0,1,0,0|1,0,0]=3 20305 B11R1.236 CNC(=O)CCOC1CCC1 34a_100000754576_100000749161 [0,1,0,1,0,0|1,0,0]=3 20306 B11R1.236 CNC(=O)CCOC1COC1 34a_100000754576_100009818527 [0,1,0,1,0,0|2,0,0]=4 20307 B11R1.236 CNC(=O)CCOC1CSC1 7a_100000072292_100000737683 [0,1,0,1,0,0|2,0,0]=4 20308 B11R1.236 CNC(=O)CCSC1CCC1 62a_100000737683_100000749161 [0,1,0,1,0,0|1,0,0]=3 20309 B11R1.236 CNC(=O)CCSC1COC1 62a_100000737683_100009818527 [0,1,0,1,0,0|2,0,0]=4 20310 B11R1.236 CNC(=O)CNCC1CCC1 2230a_100000693194_100000763275 [0,1,0,1,0,0|1,0,0]=3 20311 B11R1.236 CNC(=O)CNCC1CCC1 2230a_100000738700_100000183359 [0,1,0,1,0,0|1,0,0]=3 20312 B11R1.236 CNC(=O)CNCC1CCC1 269862a_100000693194_100000753134 [0,1,0,1,0,0|1,0,0]=3 20313 B11R1.236 CNC(=O)CNCC1CCC1 34a_100000738700_100000183359 [0,1,0,1,0,0|1,0,0]=3 20314 B11R1.236 CNC(=O)CNCC1CCO1 2230a_100000693194_100000103362 [0,1,0,1,0,0|2,0,0]=4 20315 B11R1.236 CNC(=O)CNCC1COC1 2230a_100000693194_100010264016 [0,1,0,1,0,0|2,0,0]=4 20316 B11R1.236 CNC(=O)CNCC1COC1 2230a_100015281925_100000183359 [0,1,0,1,0,0|2,0,0]=4 20317 B11R1.236 CNC(=O)CNCC1COC1 34a_100015281925_100000183359 [0,1,0,1,0,0|2,0,0]=4 20318 B11R1.236 CNC(=O)CNC[C@@H]1CCO1 2230a_100020831831_100000183359 [0,1,0,1,0,0|2,0,0]=4 20319 B11R1.236 CNC(=O)CNC[C@@H]1CCO1 34a_100020831831_100000183359 [0,1,0,1,0,0|2,0,0]=4 20320 B11R1.236 CNC(=O)COCC1CCC1 34a_100000750040_100000763275 [0,1,0,1,0,0|1,0,0]=3 20321 B11R1.236 CNC(=O)COCC1CCC1 34a_100000760304_100000183359 [0,1,0,1,0,0|1,0,0]=3 20322 B11R1.236 CNC(=O)COCC1CCO1 34a_100000039022_100000183359 [0,1,0,1,0,0|2,0,0]=4 20323 B11R1.236 CNC(=O)COCC1CCO1 34a_100000750040_100000103362 [0,1,0,1,0,0|2,0,0]=4 20324 B11R1.236 CNC(=O)COCC1CNC1 34a_100016987283_100000183359 [0,1,0,1,0,0|2,0,0]=4 20325 B11R1.236 CNC(=O)COCC1COC1 34a_100000060846_100000183359 [0,1,0,1,0,0|2,0,0]=4 20326 B11R1.236 CNC(=O)COCC1COC1 34a_100000750040_100010264016 [0,1,0,1,0,0|2,0,0]=4 20327 B11R1.236 CNC(=O)CSCC1CCC1 62a_100000183359_100000763275 [0,1,0,1,0,0|1,0,0]=3 20328 B11R1.236 CNC(=O)CSCC1CCC1 62a_100000763275_100000183359 [0,1,0,1,0,0|1,0,0]=3 20329 B11R1.236 CNC(=O)CSCC1CCO1 62a_100000103362_100000183359 [0,1,0,1,0,0|2,0,0]=4 20330 B11R1.236 CNC(=O)CSCC1CCO1 62a_100000183359_100000103362 [0,1,0,1,0,0|2,0,0]=4 20331 B11R1.236 CNC(=O)CSCC1COC1 62a_100000183359_100010264016 [0,1,0,1,0,0|2,0,0]=4 20332 B11R1.236 CNC(=O)CSCC1COC1 62a_100010264016_100000183359 [0,1,0,1,0,0|2,0,0]=4 20333 B11R1.236 CNC(=O)NCCN1CCC1 2708a_100000691440_106832991635 [0,1,0,1,0,0|2,0,0]=4 20334 B11R1.236 CNC(=O)NCCN1CCC1 2708a_100102657272_100000691440 [0,1,0,1,0,0|2,0,0]=4 20335 B11R1.236 CNC(=O)NCCN1CCC1 273464a_100000691440_100102657272 [0,1,0,1,0,0|2,0,0]=4 20336 B11R1.236 CNC(=O)NCCN1CCC1 273464a_100102657272_100000691440 [0,1,0,1,0,0|2,0,0]=4 20337 B11R1.236 CNC(=O)NCCN1CCC1 512a_106832991638_100000691440 [0,1,0,1,0,0|2,0,0]=4 20338 B11R1.236 CNC(=O)NNCC1CCC1 273464a_100102657272_200020586977 [0,1,0,1,0,0|2,0,0]=4 20339 B11R1.236 CNC(=O)NNCC1CCC1 512a_106832991638_200020586977 [0,1,0,1,0,0|2,0,0]=4 20340 B11R1.236 CNC(=O)NNCC1CCC1 512a_200020586977_100102657272 [0,1,0,1,0,0|2,0,0]=4 20341 B11R1.236 CNC(=O)OCCN1CCC1 269982a_100000754969_200011997002 [0,1,0,1,0,0|2,0,0]=4 20342 B11R1.236 COC(=O)CCCN1CCC1 269982a_100000754969_100011218270 [0,1,0,1,0,0|1,0,0]=3 20343 B11R1.236 COC(=O)CCNC1CCC1 2230a_100000749019_100000204255 [0,1,0,1,0,0|1,0,0]=3 20344 B11R1.236 COC(=O)CCNC1CCC1 34a_100000749019_100000742370 [0,1,0,1,0,0|1,0,0]=3 20345 B11R1.236 COC(=O)CCNC1COC1 2230a_100016991112_100000204255 [0,1,0,1,0,0|2,0,0]=4 20346 B11R1.236 COC(=O)CCOC1CCC1 34a_100000748187_100000742370 [0,1,0,1,0,0|1,0,0]=3 20347 B11R1.236 COC(=O)CCOC1CSC1 7a_100000072292_100000204255 [0,1,0,1,0,0|2,0,0]=4 20348 B11R1.236 COC(=O)CCSC1CCC1 62a_100000204255_100000749161 [0,1,0,1,0,0|1,0,0]=3 20349 B11R1.236 COC(=O)CCSC1COC1 62a_100000204255_100009818527 [0,1,0,1,0,0|2,0,0]=4 20350 B11R1.236 COC(=O)CNCC1CCC1 2230a_100000738700_100000747449 [0,1,0,1,0,0|1,0,0]=3 20351 B11R1.236 COC(=O)CNCC1CCC1 34a_100000738700_100000747449 [0,1,0,1,0,0|1,0,0]=3 20352 B11R1.236 COC(=O)CNCC1COC1 2230a_100015281925_100000747449 [0,1,0,1,0,0|2,0,0]=4 20353 B11R1.236 COC(=O)CNCC1COC1 34a_100015281925_100000747449 [0,1,0,1,0,0|2,0,0]=4 20354 B11R1.236 COC(=O)CNC[C@@H]1CCO1 2230a_100020831831_100000747449 [0,1,0,1,0,0|2,0,0]=4 20355 B11R1.236 COC(=O)CNC[C@@H]1CCO1 34a_100020831831_100000747449 [0,1,0,1,0,0|2,0,0]=4 20356 B11R1.236 COC(=O)COCC1CCC1 34a_100000760304_100000747449 [0,1,0,1,0,0|1,0,0]=3 20357 B11R1.236 COC(=O)COCC1CCO1 34a_100000039022_100000747449 [0,1,0,1,0,0|2,0,0]=4 20358 B11R1.236 COC(=O)COCC1CNC1 34a_100016987283_100000747449 [0,1,0,1,0,0|2,0,0]=4 20359 B11R1.236 COC(=O)COCC1COC1 34a_100000060846_100000747449 [0,1,0,1,0,0|2,0,0]=4 20360 B11R1.236 COC(=O)CSCC1CCC1 62a_100000747449_100000763275 [0,1,0,1,0,0|1,0,0]=3 20361 B11R1.236 COC(=O)CSCC1CCC1 62a_100000763275_100000747449 [0,1,0,1,0,0|1,0,0]=3 20362 B11R1.236 COC(=O)CSCC1CCO1 62a_100000103362_100000747449 [0,1,0,1,0,0|2,0,0]=4 20363 B11R1.236 COC(=O)CSCC1CCO1 62a_100000747449_100000103362 [0,1,0,1,0,0|2,0,0]=4 20364 B11R1.236 COC(=O)CSCC1COC1 62a_100000747449_100010264016 [0,1,0,1,0,0|2,0,0]=4 20365 B11R1.236 COC(=O)CSCC1COC1 62a_100010264016_100000747449 [0,1,0,1,0,0|2,0,0]=4 20366 B11R1.236 O=C(CO)NCCN1CCC1 240690a_100000691440_100000210174 [0,1,0,1,0,0|2,0,0]=4 20367 B11R1.236 O=C(CO)NNCC1CCC1 22a_200020586977_100000210174 [0,1,0,1,0,0|2,0,0]=4 20368 B11R1.851 CCC(=O)C1CC1C(=O)OC 1458a_100000750770_100000210202 [0,1,0,1,0,0|1,0,1]=4 20369 B11R1.851 CCC(C)N1CC1C(=O)OC 2230a_200009830135_100000758301 [0,1,0,1,0,0|2,0,0]=4 20370 B11R1.865 CCC(=O)[C@H]1CCC(=O)N1C 1458a_100010979499_100000210202 [0,1,0,1,0,0|1,0,1]=4 20371 B11R1.896 CCC(=O)CN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000747405 [0,1,0,1,0,0|1,0,0]=3 20372 B11R1.896 CNC(=O)CN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000183359 [0,1,0,1,0,0|2,0,0]=4 20373 B11R1.896 CNC(=O)CN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000183359 [0,1,0,1,0,0|2,0,0]=4 20374 B11R1.896 COC(=O)CN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000747449 [0,1,0,1,0,0|2,0,0]=4 20375 B11R1.896 COC(=O)CN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000747449 [0,1,0,1,0,0|2,0,0]=4 20376 B11R1.970 CCN1CCCC(C1)(C)CC 2230a_100000756310_100000210202 [0,1,0,1,0,0|2,0,0]=4 20377 B11R1.970 CCN1CCCC(C1)(C)CC 269982a_100000756310_100000204670 [0,1,0,1,0,0|2,0,0]=4 20378 B11R1.1029 CCC(=O)COCC1(CC1)C 7a_100000698024_100000747405 [0,1,0,1,0,0|1,0,0]=3 20379 B11R1.1029 CCC(=O)COCC1(CC1)F 7a_200000703853_100000747405 [0,1,0,1,0,0|1,0,0]=3 20380 B11R1.1029 CCC(=O)COCC1(CO1)C 34a_100000725409_100000760498 [0,1,0,1,0,0|2,0,0]=4 20381 B11R1.1029 CCC(=O)CSCC1(CO1)C 62a_100000747405_100000760498 [0,1,0,1,0,0|2,0,0]=4 20382 B11R1.1029 CCC(=O)CSCC1(CO1)C 62a_100000760498_100000747405 [0,1,0,1,0,0|2,0,0]=4 20383 B11R1.1029 CNC(=O)CCNC1(CC1)C 2230a_100000757604_100000737683 [0,1,0,1,0,0|2,0,0]=4 20384 B11R1.1029 CNC(=O)CCOC1(CC1)C 7a_100011725673_100000737683 [0,1,0,1,0,0|2,0,0]=4 20385 B11R1.1029 CNC(=O)CNCC1(CC1)C 2230a_100000766693_100000183359 [0,1,0,1,0,0|2,0,0]=4 20386 B11R1.1029 CNC(=O)CNCC1(CC1)O 2230a_100011936951_100000183359 [0,1,0,1,0,0|2,0,0]=4 20387 B11R1.1029 CNC(=O)COCC1(CC1)C 7a_100000698024_100000183359 [0,1,0,1,0,0|2,0,0]=4 20388 B11R1.1029 CNC(=O)COCC1(CC1)F 34a_200000703853_100000183359 [0,1,0,1,0,0|2,0,0]=4 20389 B11R1.1029 CNC(=O)COCC1(CC1)F 7a_200000703853_100000183359 [0,1,0,1,0,0|2,0,0]=4 20390 B11R1.1029 COC(=O)CCNC1(CC1)C 2230a_100000757604_100000204255 [0,1,0,1,0,0|2,0,0]=4 20391 B11R1.1029 COC(=O)CCOC1(CC1)C 7a_100011725673_100000204255 [0,1,0,1,0,0|2,0,0]=4 20392 B11R1.1029 COC(=O)CNCC1(CC1)C 2230a_100000766693_100000747449 [0,1,0,1,0,0|2,0,0]=4 20393 B11R1.1029 COC(=O)CNCC1(CC1)O 2230a_100011936951_100000747449 [0,1,0,1,0,0|2,0,0]=4 20394 B11R1.1029 COC(=O)COCC1(CC1)C 7a_100000698024_100000747449 [0,1,0,1,0,0|2,0,0]=4 20395 B11R1.1029 COC(=O)COCC1(CC1)F 34a_200000703853_100000747449 [0,1,0,1,0,0|2,0,0]=4 20396 B11R1.1029 COC(=O)COCC1(CC1)F 7a_200000703853_100000747449 [0,1,0,1,0,0|2,0,0]=4 20397 B11R1.7 CNS(=O)(=O)C1CCCCC1 270084a_100102657272_100011219266 [0,1,0,1,0,0|2,0,0]=4 20398 B11R1.7 CNS(=O)(=O)C1CCCCC1 274078a_100102657272_100011219266 [0,1,0,1,0,0|2,0,0]=4 20399 B11R1.82 CCCN1CCS(=O)(=O)CC1 2230a_100000750940_100000210303 [0,1,0,1,0,0|2,0,0]=4 20400 B11R1.82 CCCN1CCS(=O)(=O)CC1 269982a_100000750940_100000210303 [0,1,0,1,0,0|2,0,0]=4 20401 B11R1.82 CCCN1CCS(=O)(=O)CC1 34a_100000750940_100000210303 [0,1,0,1,0,0|2,0,0]=4 20402 B11R1.82 CCNC1CCS(=O)(=O)CC1 2230a_100000739226_100000210202 [0,1,0,1,0,0|2,0,0]=4 20403 B11R1.82 CCNC1CCS(=O)(=O)CC1 270004a_100015525214_100000015219 [0,1,0,1,0,0|2,0,0]=4 20404 B11R1.82 CCNC1CCS(=O)(=O)CC1 34a_100000739226_100000210202 [0,1,0,1,0,0|2,0,0]=4 20405 B11R1.82 CCOC1CCS(=O)(=O)CC1 34a_100011349575_100000210202 [0,1,0,1,0,0|2,0,0]=4 20406 B11R1.82 CCOC1CCS(=O)(=O)CC1 7a_100011349575_100000210202 [0,1,0,1,0,0|2,0,0]=4 20407 B11R1.82 CNCC1CCS(=O)(=O)CC1 2230a_100000693208_200000210301 [0,1,0,1,0,0|2,0,0]=4 20408 B11R1.82 CNCC1CCS(=O)(=O)CC1 270004a_106832991635_200011794348 [0,1,0,1,0,0|2,0,0]=4 20409 B11R1.82 CNCC1CCS(=O)(=O)CC1 34a_100000693208_200000210301 [0,1,0,1,0,0|2,0,0]=4 20410 B11R1.82 [13CH3]NCC1CCS(=O)(=O)CC1 2230a_100000693208_200025704644 [0,1,0,1,0,0|2,0,0]=4 20411 B11R1.82 [13CH3]NCC1CCS(=O)(=O)CC1 34a_100000693208_200025704644 [0,1,0,1,0,0|2,0,0]=4 20412 B11R1.136 CCS(=O)(=O)NC1CCCC1 270084a_100000211070_100000211323 [0,1,0,1,0,0|2,0,0]=4 20413 B11R1.136 CCS(=O)(=O)NC1CCCC1 274078a_100000211070_100000211323 [0,1,0,1,0,0|2,0,0]=4 20414 B11R1.136 CCS(=O)(=O)NC1CCCC1 40a_100000211070_100000053943 [0,1,0,1,0,0|2,0,0]=4 20415 B11R1.136 CNS(=O)(=O)CC1CCCC1 270084a_100102657272_100000688727 [0,1,0,1,0,0|2,0,0]=4 20416 B11R1.136 CNS(=O)(=O)CC1CCCC1 274078a_100102657272_100000688727 [0,1,0,1,0,0|2,0,0]=4 20417 B11R1.137 CCS(=O)(=O)N1CCC[C@@H]1C 270084a_100020605311_100000211323 [0,1,0,1,0,0|2,0,0]=4 20418 B11R1.137 CCS(=O)(=O)N1CCC[C@@H]1C 274078a_100020605311_100000211323 [0,1,0,1,0,0|2,0,0]=4 20419 B11R1.137 CCS(=O)(=O)N1CCC[C@H]1C 270084a_100015189458_100000211323 [0,1,0,1,0,0|2,0,0]=4 20420 B11R1.137 CCS(=O)(=O)N1CCC[C@H]1C 274078a_100015189458_100000211323 [0,1,0,1,0,0|2,0,0]=4 20421 B11R1.137 CCS(=O)(=O)N1CCC[C@H]1C 40a_100015189458_100000053943 [0,1,0,1,0,0|2,0,0]=4 20422 B11R1.139 CCS(=O)(=O)CCN1CCC1 269982a_100000754969_100000756660 [0,1,0,1,0,0|2,0,0]=4 20423 B11R1.139 CCS(=O)(=O)NCC1CCC1 270084a_100000738700_100000211323 [0,1,0,1,0,0|2,0,0]=4 20424 B11R1.139 CCS(=O)(=O)NCC1CCC1 274078a_100000738700_100000211323 [0,1,0,1,0,0|2,0,0]=4 20425 B11R1.139 CCS(=O)(=O)NCC1CCC1 40a_100000738700_100000053943 [0,1,0,1,0,0|2,0,0]=4 20426 B11R1.140 CCS(=O)(=O)CCNC1CC1 34a_100000212008_100000756660 [0,1,0,1,0,0|2,0,0]=4 20427 B11R1.140 CCS(=O)(=O)CCNC1CC1 34a_100000751051_100000211595 [0,1,0,1,0,0|2,0,0]=4 20428 B11R1.140 CCS(=O)(=O)CCOC1CC1 34a_200011216379_100000211595 [0,1,0,1,0,0|2,0,0]=4 20429 B11R1.140 CCS(=O)(=O)CCSC1CC1 62a_100000756660_100000211595 [0,1,0,1,0,0|2,0,0]=4 20430 B11R1.140 CCS(=O)(=O)NCCC1CC1 270084a_100000764129_100000211323 [0,1,0,1,0,0|2,0,0]=4 20431 B11R1.140 CCS(=O)(=O)NCCC1CC1 274078a_100000764129_100000211323 [0,1,0,1,0,0|2,0,0]=4 20432 B11R1.140 CCS(=O)(=O)NCCC1CC1 40a_100000764129_100000053943 [0,1,0,1,0,0|2,0,0]=4 20433 B11R1.213 CCCNC1CCS(=O)(=O)C1 2230a_100000683523_100000210303 [0,1,0,1,0,0|2,0,0]=4 20434 B11R1.213 CCCNC1CCS(=O)(=O)C1 34a_100000683523_100000210303 [0,1,0,1,0,0|2,0,0]=4 20435 B11R1.213 CCCOC1CCS(=O)(=O)C1 34a_100000186101_100000210303 [0,1,0,1,0,0|2,0,0]=4 20436 B11R1.213 CCCOC1CCS(=O)(=O)C1 7a_100000186101_100000210303 [0,1,0,1,0,0|2,0,0]=4 20437 B11R1.213 CCNCC1CCS(=O)(=O)C1 2230a_100000737051_100000210202 [0,1,0,1,0,0|2,0,0]=4 20438 B11R1.213 CCNCC1CCS(=O)(=O)C1 34a_100000737051_100000210202 [0,1,0,1,0,0|2,0,0]=4 20439 B11R1.1 C#CCOC1CCC(=O)CC1 34a_100000764474_100000184674 [0,1,0,1,0,0|0,0,2]=4 20440 B11R1.1 C#CCOC1CCC(=O)CC1 7a_100000764474_100000038162 [0,1,0,1,0,0|0,0,2]=4 20441 B11R1.1 C=C1CCC(CC1)COCC 34a_100000074039_100000210202 [0,1,0,1,0,0|1,0,0]=3 20442 B11R1.1 C=C1CCC(CC1)COCF 34a_100000074039_100015361967 [0,1,0,1,0,0|2,0,0]=4 20443 B11R1.1 C=C1CCC(CC1)NCCC 270004a_100020643023_100010272673 [0,1,0,1,0,0|1,0,0]=3 20444 B11R1.1 C=C1CCC(CC1)NCCO 270004a_100000210304_100010272673 [0,1,0,1,0,0|2,0,0]=4 20445 B11R1.1 C=C1CCN(CC1)CCCC 2230a_100000752442_100000210211 [0,1,0,1,0,0|1,0,0]=3 20446 B11R1.1 C=C1CCN(CC1)CCCC 269982a_100000752442_100000210211 [0,1,0,1,0,0|1,0,0]=3 20447 B11R1.1 C=C1CCN(CC1)CCCC 34a_100000752442_100000210210 [0,1,0,1,0,0|1,0,0]=3 20448 B11R1.1 C=C1CCN(CC1)CCCF 2230a_100000752442_100011934791 [0,1,0,1,0,0|2,0,0]=4 20449 B11R1.1 C=C1CCN(CC1)CCCF 269982a_100000752442_100011934791 [0,1,0,1,0,0|2,0,0]=4 20450 B11R1.1 C=C1CCN(CC1)CCCF 34a_100000752442_100011934791 [0,1,0,1,0,0|2,0,0]=4 20451 B11R1.1 C=C1CCN(CC1)CCCO 2230a_100000752442_100000230001 [0,1,0,1,0,0|2,0,0]=4 20452 B11R1.1 C=C1CCN(CC1)CCCO 269982a_100000752442_100011215043 [0,1,0,1,0,0|2,0,0]=4 20453 B11R1.1 C=C1CCN(CC1)CCCO 34a_100000752442_100000230001 [0,1,0,1,0,0|2,0,0]=4 20454 B11R1.1 C=C1CCN(CC1)CCOC 2230a_100000752442_100011201679 [0,1,0,1,0,0|2,0,0]=4 20455 B11R1.1 C=C1CCN(CC1)CCOC 269982a_100000752442_100000233755 [0,1,0,1,0,0|2,0,0]=4 20456 B11R1.1 C=C1CCN(CC1)CCOC 34a_100000752442_100011201679 [0,1,0,1,0,0|2,0,0]=4 20457 B11R1.1 C=C1CCN(CC1)CCSC 2230a_100000752442_100000751147 [0,1,0,1,0,0|2,0,0]=4 20458 B11R1.1 C=C1CCN(CC1)CCSC 269982a_100000752442_100000212216 [0,1,0,1,0,0|2,0,0]=4 20459 B11R1.1 C=C1CCN(CC1)CCSC 34a_100000752442_100000212216 [0,1,0,1,0,0|2,0,0]=4 20460 B11R1.1 C=C1CCN(CC1)COCC 269982a_100000752442_100000739092 [0,1,0,1,0,0|2,0,0]=4 20461 B11R1.1 C=CCOC1CCC(=O)CC1 34a_100000764474_100015514636 [0,1,0,1,0,0|0,0,2]=4 20462 B11R1.1 C=CCOC1CCC(=O)CC1 7a_100000764474_100015514636 [0,1,0,1,0,0|0,0,2]=4 20463 B11R1.1 CCCCC1CCN(CC1)C 2230a_200016987432_200000210301 [0,1,0,1,0,0|2,0,0]=4 20464 B11R1.1 CCCCC1CCN(CC1)C 269982a_200016987432_200000210301 [0,1,0,1,0,0|2,0,0]=4 20465 B11R1.1 CCCCC1CCN(CC1)C 34a_200016987432_200000210301 [0,1,0,1,0,0|2,0,0]=4 20466 B11R1.1 CCCCC1CCN(CC1)[13CH3] 2230a_200016987432_200025704644 [0,1,0,1,0,0|2,0,0]=4 20467 B11R1.1 CCCCC1CCN(CC1)[13CH3] 269982a_200016987432_200025704644 [0,1,0,1,0,0|2,0,0]=4 20468 B11R1.1 CCCCC1CCN(CC1)[13CH3] 34a_200016987432_200025704644 [0,1,0,1,0,0|2,0,0]=4 20469 B11R1.1 CCCCN1CC=C(CC1)C 2230a_100000693516_100000210211 [0,1,0,1,0,0|1,0,1]=4 20470 B11R1.1 CCCCN1CC=C(CC1)C 269982a_100000693516_100000210211 [0,1,0,1,0,0|1,0,1]=4 20471 B11R1.1 CCCCN1CC=C(CC1)C 34a_100000693516_100000210210 [0,1,0,1,0,0|1,0,1]=4 20472 B11R1.1 CCCCN1CCC(CC1)C 2230a_100000188429_100000210211 [0,1,0,1,0,0|1,0,1]=4 20473 B11R1.1 CCCCN1CCC(CC1)C 269982a_100000188429_100000210211 [0,1,0,1,0,0|1,0,1]=4 20474 B11R1.1 CCCCN1CCC(CC1)C 34a_100000188429_100000210210 [0,1,0,1,0,0|1,0,1]=4 20475 B11R1.1 CCCCN1CCC(CC1)F 2230a_100015193889_100000210211 [0,1,0,1,0,0|1,0,1]=4 20476 B11R1.1 CCCCN1CCC(CC1)F 269982a_100015193889_100000210211 [0,1,0,1,0,0|1,0,1]=4 20477 B11R1.1 CCCCN1CCC(CC1)F 34a_100015193889_100000210210 [0,1,0,1,0,0|1,0,1]=4 20478 B11R1.1 CCCCN1CCC(CC1)O 2230a_100025773856_100000210211 [0,1,0,1,0,0|0,0,2]=4 20479 B11R1.1 CCCCN1CCC(CC1)O 269982a_100025773856_100000210211 [0,1,0,1,0,0|0,0,2]=4 20480 B11R1.1 CCCCN1CCN(CC1)C 2230a_100000188432_100000210211 [0,1,0,1,0,0|2,0,0]=4 20481 B11R1.1 CCCCN1CCN(CC1)C 2230a_100011194250_200000210301 [0,1,0,1,0,0|2,0,0]=4 20482 B11R1.1 CCCCN1CCN(CC1)C 269982a_100000188432_100000210211 [0,1,0,1,0,0|2,0,0]=4 20483 B11R1.1 CCCCN1CCN(CC1)C 269982a_100011194250_200000210301 [0,1,0,1,0,0|2,0,0]=4 20484 B11R1.1 CCCCN1CCN(CC1)[13CH3] 2230a_100011194250_200025704644 [0,1,0,1,0,0|2,0,0]=4 20485 B11R1.1 CCCCN1CCN(CC1)[13CH3] 269982a_100011194250_200025704644 [0,1,0,1,0,0|2,0,0]=4 20486 B11R1.1 CCCCN1CCS(=O)CC1 2230a_100000752083_100000210211 [0,1,0,1,0,0|1,0,0]=3 20487 B11R1.1 CCCCN1CCS(=O)CC1 269982a_100000752083_100000210211 [0,1,0,1,0,0|1,0,0]=3 20488 B11R1.1 CCCNC1CCC(=O)NC1 2230a_100000748762_100000210303 [0,1,0,1,0,0|1,0,0]=3 20489 B11R1.1 CCCNC1CCC(=O)NC1 34a_100000748762_100000210303 [0,1,0,1,0,0|1,0,0]=3 20490 B11R1.1 CCCNC1CCC(CC1)C 270004a_100020643023_100000185489 [0,1,0,1,0,0|1,0,1]=4 20491 B11R1.1 CCCNC1CCC(CC1)O 270004a_100020643023_100000764474 [0,1,0,1,0,0|0,0,2]=4 20492 B11R1.1 CCCNC1CCN(CC1)C 270004a_100020643023_100000210137 [0,1,0,1,0,0|2,0,0]=4 20493 B11R1.1 CCCN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100000210303 [0,1,0,1,0,0|1,0,1]=4 20494 B11R1.1 CCCN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100000210303 [0,1,0,1,0,0|1,0,1]=4 20495 B11R1.1 CCCOC1CCC(=O)CC1 34a_100000764474_100000210303 [0,1,0,1,0,0|0,0,0]=2 20496 B11R1.1 CCCOC1CCC(=O)CC1 7a_100000764474_100000210303 [0,1,0,1,0,0|0,0,0]=2 20497 B11R1.1 CCCOC1CCC(=O)NC1 34a_100000079199_100000210303 [0,1,0,1,0,0|1,0,0]=3 20498 B11R1.1 CCCOC1CCC(CC1)C 34a_100000210258_200011216234 [0,1,0,1,0,0|1,0,1]=4 20499 B11R1.1 CCCOC1CCC(CC1)C 34a_100000210714_100000210303 [0,1,0,1,0,0|1,0,1]=4 20500 B11R1.1 CCCOC1CCC(CC1)C 7a_100000210714_100000210303 [0,1,0,1,0,0|1,0,1]=4 20501 B11R1.1 CCCOC1CCN(CC1)C 2230a_100020629755_200000210301 [0,1,0,1,0,0|2,0,0]=4 20502 B11R1.1 CCCOC1CCN(CC1)C 269982a_100020629755_200000210301 [0,1,0,1,0,0|2,0,0]=4 20503 B11R1.1 CCCOC1CCN(CC1)C 34a_100020629755_200000210301 [0,1,0,1,0,0|2,0,0]=4 20504 B11R1.1 CCCOC1CCN(CC1)[13CH3] 2230a_100020629755_200025704644 [0,1,0,1,0,0|2,0,0]=4 20505 B11R1.1 CCCOC1CCN(CC1)[13CH3] 269982a_100020629755_200025704644 [0,1,0,1,0,0|2,0,0]=4 20506 B11R1.1 CCCOC1CCN(CC1)[13CH3] 34a_100020629755_200025704644 [0,1,0,1,0,0|2,0,0]=4 20507 B11R1.1 CCCOC1CNC(=O)NC1 34a_100000080929_100000210303 [0,1,0,1,0,0|2,0,0]=4 20508 B11R1.1 CCCO[C@H]1CC[C@H](CC1)N 34a_100020628982_100000210303 [0,1,0,1,0,0|1,0,1]=4 20509 B11R1.1 CCCSC1CCC(CC1)C 62a_100000210303_200011216234 [0,1,0,1,0,0|1,0,1]=4 20510 B11R1.1 CCCSC1CCN(CC1)C 62a_100000210303_100011215917 [0,1,0,1,0,0|2,0,0]=4 20511 B11R1.1 CCNCC1CCC(CC1)C 2230a_103436935547_100000210202 [0,1,0,1,0,0|1,0,1]=4 20512 B11R1.1 CCNCC1CCC(CC1)C 34a_103436935547_100000210202 [0,1,0,1,0,0|1,0,1]=4 20513 B11R1.1 CCOCC1CCC(=O)CC1 34a_100000062911_100000210202 [0,1,0,1,0,0|0,0,0]=2 20514 B11R1.1 CCOCC1CCC(CC1)C 34a_100000701341_100000210202 [0,1,0,1,0,0|1,0,1]=4 20515 B11R1.1 CCOCC1CCN(CC1)C 2230a_100000755292_200000210301 [0,1,0,1,0,0|2,0,0]=4 20516 B11R1.1 CCOCC1CCN(CC1)C 269982a_100000755292_200000210301 [0,1,0,1,0,0|2,0,0]=4 20517 B11R1.1 CCOCC1CCN(CC1)C 34a_100000755292_200000210301 [0,1,0,1,0,0|2,0,0]=4 20518 B11R1.1 CCOCC1CCN(CC1)[13CH3] 2230a_100000755292_200025704644 [0,1,0,1,0,0|2,0,0]=4 20519 B11R1.1 CCOCC1CCN(CC1)[13CH3] 269982a_100000755292_200025704644 [0,1,0,1,0,0|2,0,0]=4 20520 B11R1.1 CCOCC1CCN(CC1)[13CH3] 34a_100000755292_200025704644 [0,1,0,1,0,0|2,0,0]=4 20521 B11R1.1 CCOCN1CCS(=O)CC1 269982a_100000752083_100000739092 [0,1,0,1,0,0|2,0,0]=4 20522 B11R1.1 CCOC[C@H]1CC[C@@H](CC1)N 34a_100009821084_100000210202 [0,1,0,1,0,0|1,0,1]=4 20523 B11R1.1 CCSCC1CCN(CC1)C 62a_100000210202_100015183002 [0,1,0,1,0,0|2,0,0]=4 20524 B11R1.1 CCSCC1CCN(CC1)C 62a_100015183002_100000210202 [0,1,0,1,0,0|2,0,0]=4 20525 B11R1.1 CN1CCC(CC1)CCCO 2230a_100016988962_200000210301 [0,1,0,1,0,0|2,0,0]=4 20526 B11R1.1 CN1CCC(CC1)CCCO 269982a_100016988962_200000210301 [0,1,0,1,0,0|2,0,0]=4 20527 B11R1.1 CN1CCC(CC1)CCCO 34a_100016988962_200000210301 [0,1,0,1,0,0|2,0,0]=4 20528 B11R1.1 CNCCC1CCC(CC1)O 34a_200011935226_200000210301 [0,1,0,1,0,0|0,0,2]=4 20529 B11R1.1 COCCC1CCC(CC1)N 34a_100000070672_200000210301 [0,1,0,1,0,0|1,0,1]=4 20530 B11R1.1 COCCC1CCN(CC1)C 2230a_100011255180_200000210301 [0,1,0,1,0,0|2,0,0]=4 20531 B11R1.1 COCCC1CCN(CC1)C 269982a_100011255180_200000210301 [0,1,0,1,0,0|2,0,0]=4 20532 B11R1.1 COCCC1CCN(CC1)C 34a_100011255180_200000210301 [0,1,0,1,0,0|2,0,0]=4 20533 B11R1.1 COCCC1CCN(CC1)[13CH3] 2230a_100011255180_200025704644 [0,1,0,1,0,0|2,0,0]=4 20534 B11R1.1 COCCC1CCN(CC1)[13CH3] 269982a_100011255180_200025704644 [0,1,0,1,0,0|2,0,0]=4 20535 B11R1.1 COCCC1CCN(CC1)[13CH3] 34a_100011255180_200025704644 [0,1,0,1,0,0|2,0,0]=4 20536 B11R1.1 COCCN1CCS(=O)CC1 2230a_100000752083_100011201679 [0,1,0,1,0,0|2,0,0]=4 20537 B11R1.1 COCCN1CCS(=O)CC1 269982a_100000752083_100000233755 [0,1,0,1,0,0|2,0,0]=4 20538 B11R1.1 COCNC1CCC(=O)NC1 2230a_100000748762_100000766300 [0,1,0,1,0,0|2,0,0]=4 20539 B11R1.1 CSCCN1CCS(=O)CC1 2230a_100000752083_100000751147 [0,1,0,1,0,0|2,0,0]=4 20540 B11R1.1 CSCCN1CCS(=O)CC1 269982a_100000752083_100000212216 [0,1,0,1,0,0|2,0,0]=4 20541 B11R1.1 CSCNC1CCC(=O)NC1 2230a_100000748762_100011218213 [0,1,0,1,0,0|2,0,0]=4 20542 B11R1.1 CSCNC1CCC(=O)NC1 34a_100000748762_100011218213 [0,1,0,1,0,0|2,0,0]=4 20543 B11R1.1 CSCOC1CCC(=O)CC1 34a_100000764474_100011218213 [0,1,0,1,0,0|1,0,0]=3 20544 B11R1.1 CSCOC1CCC(=O)NC1 34a_100000079199_100011218213 [0,1,0,1,0,0|2,0,0]=4 20545 B11R1.1 N#CCOC1CCC(=O)CC1 7a_100000764474_100011215382 [0,1,0,1,0,0|1,0,1]=4 20546 B11R1.1 O=C1CCC(CC1)COCF 34a_100000062911_100015361967 [0,1,0,1,0,0|1,0,0]=3 20547 B11R1.1 O=C1CCC(CC1)OCCF 34a_100000764474_100011217306 [0,1,0,1,0,0|1,0,0]=3 20548 B11R1.1 O=C1CCC(CC1)OCCF 7a_100000764474_100011217306 [0,1,0,1,0,0|1,0,0]=3 20549 B11R1.1 O=C1CCC(CC1)OCCO 34a_100000764474_100000211926 [0,1,0,1,0,0|1,0,0]=3 20550 B11R1.1 O=C1CCC(CC1)OCCO 7a_100000764474_100000211926 [0,1,0,1,0,0|1,0,0]=3 20551 B11R1.1 O=C1CCC(CN1)NCCF 2230a_100000748762_100011217306 [0,1,0,1,0,0|2,0,0]=4 20552 B11R1.1 O=C1CCC(CN1)NCCF 34a_100000748762_100011217306 [0,1,0,1,0,0|2,0,0]=4 20553 B11R1.1 O=C1CCC(CN1)NCCO 2230a_100000748762_100000211926 [0,1,0,1,0,0|2,0,0]=4 20554 B11R1.1 O=C1CCC(CN1)NCCO 34a_100000748762_100000211926 [0,1,0,1,0,0|2,0,0]=4 20555 B11R1.1 O=C1CCC(CN1)OCCF 34a_100000079199_100011217306 [0,1,0,1,0,0|2,0,0]=4 20556 B11R1.1 O=C1CCC(CN1)OCCO 34a_100000079199_100000211926 [0,1,0,1,0,0|2,0,0]=4 20557 B11R1.1 O=CCOC1CCC(=O)CC1 34a_100000764474_200009817547 [0,1,0,1,0,0|1,0,1]=4 20558 B11R1.1 O=CCOC1CCC(=O)CC1 7a_100000764474_200015260668 [0,1,0,1,0,0|1,0,1]=4 20559 B11R1.1 O=S1CCN(CC1)CCCF 2230a_100000752083_100011934791 [0,1,0,1,0,0|2,0,0]=4 20560 B11R1.1 O=S1CCN(CC1)CCCF 269982a_100000752083_100011934791 [0,1,0,1,0,0|2,0,0]=4 20561 B11R1.1 O=S1CCN(CC1)CCCO 2230a_100000752083_100000230001 [0,1,0,1,0,0|2,0,0]=4 20562 B11R1.1 O=S1CCN(CC1)CCCO 269982a_100000752083_100011215043 [0,1,0,1,0,0|2,0,0]=4 20563 B11R1.1 [13CH3]N1CCC(CC1)CCCO 2230a_100016988962_200025704644 [0,1,0,1,0,0|2,0,0]=4 20564 B11R1.1 [13CH3]N1CCC(CC1)CCCO 269982a_100016988962_200025704644 [0,1,0,1,0,0|2,0,0]=4 20565 B11R1.1 [13CH3]N1CCC(CC1)CCCO 34a_100016988962_200025704644 [0,1,0,1,0,0|2,0,0]=4 20566 B11R1.1 [13CH3]NCCC1CCC(CC1)O 34a_200011935226_200025704644 [0,1,0,1,0,0|0,0,2]=4 20567 B11R1.1 [13CH3]OCCC1CCC(CC1)N 34a_100000070672_200025704644 [0,1,0,1,0,0|1,0,1]=4 20568 B11R1.13 CC1C(=O)NCCN1CCF 2230a_100000750721_100011217306 [0,1,0,1,0,0|2,0,0]=4 20569 B11R1.13 CC1C(=O)NCCN1CCF 269982a_100000750721_100011217306 [0,1,0,1,0,0|2,0,0]=4 20570 B11R1.13 CC1C(=O)NCCN1CCF 34a_100000750721_100011217306 [0,1,0,1,0,0|2,0,0]=4 20571 B11R1.13 CC1C(=O)NCCN1CCO 2230a_100000750721_100000211926 [0,1,0,1,0,0|2,0,0]=4 20572 B11R1.13 CC1C(=O)NCCN1CCO 269982a_100000750721_100000211926 [0,1,0,1,0,0|2,0,0]=4 20573 B11R1.13 CC1C(=O)NCCN1CCO 34a_100000750721_100000211926 [0,1,0,1,0,0|2,0,0]=4 20574 B11R1.13 CCCN1CCNC(=O)C1C 2230a_100000750721_100000210303 [0,1,0,1,0,0|1,0,0]=3 20575 B11R1.13 CCCN1CCNC(=O)C1C 269982a_100000750721_100000210303 [0,1,0,1,0,0|1,0,0]=3 20576 B11R1.13 CCCN1CCNC(=O)C1C 34a_100000750721_100000210303 [0,1,0,1,0,0|1,0,0]=3 20577 B11R1.13 CCNC1CCCC(C1C)C 2230a_100000211273_100000210202 [0,1,0,1,0,0|1,0,1]=4 20578 B11R1.13 CCNC1CCCC(C1C)C 34a_100000211273_100000210202 [0,1,0,1,0,0|1,0,1]=4 20579 B11R1.13 CCOC1CCCC(C1C)C 34a_100011217532_100000210202 [0,1,0,1,0,0|1,0,1]=4 20580 B11R1.13 CCOC1CCCC(C1C)C 7a_100011217532_100000210202 [0,1,0,1,0,0|1,0,1]=4 20581 B11R1.13 CN1C(=O)CCCC1CN[13CH3] 2230a_200010383782_200025704644 [0,1,0,1,0,0|1,0,0]=3 20582 B11R1.13 CN1C(=O)CCCC1CN[13CH3] 34a_200010383782_200025704644 [0,1,0,1,0,0|1,0,0]=3 20583 B11R1.13 CNCC1CCCC(=O)N1C 2230a_200010383782_200000210301 [0,1,0,1,0,0|1,0,0]=3 20584 B11R1.13 CNCC1CCCC(=O)N1C 34a_200010383782_200000210301 [0,1,0,1,0,0|1,0,0]=3 20585 B11R1.13 COCN1CCNC(=O)C1C 2230a_100000750721_100000766300 [0,1,0,1,0,0|2,0,0]=4 20586 B11R1.13 COCN1CCNC(=O)C1C 269982a_100000750721_100000766300 [0,1,0,1,0,0|2,0,0]=4 20587 B11R1.13 CSCN1CCNC(=O)C1C 2230a_100000750721_100011218213 [0,1,0,1,0,0|2,0,0]=4 20588 B11R1.13 CSCN1CCNC(=O)C1C 269982a_100000750721_100011218213 [0,1,0,1,0,0|2,0,0]=4 20589 B11R1.13 CSCN1CCNC(=O)C1C 34a_100000750721_100011218213 [0,1,0,1,0,0|2,0,0]=4 20590 B11R1.25 C#CC(=O)CCC1CCCC1 1458a_100000211873_100000760354 [0,1,0,1,0,0|0,0,2]=4 20591 B11R1.25 C#CC(=O)CCN1CCCC1 1458a_100000211873_100000004467 [0,1,0,1,0,0|0,0,2]=4 20592 B11R1.25 C=CC(=O)CCC1CCCC1 1458a_100000185746_100000760354 [0,1,0,1,0,0|0,0,2]=4 20593 B11R1.25 C=CC(=O)CCN1CCCC1 1458a_100000185746_100000004467 [0,1,0,1,0,0|0,0,2]=4 20594 B11R1.25 C=CC(=O)NCC1CCCC1 1626a_100000737975_100000185746 [0,1,0,1,0,0|0,0,2]=4 20595 B11R1.25 C=CC(=O)NCC1CCCC1 240690a_100000737975_200121576911 [0,1,0,1,0,0|0,0,2]=4 20596 B11R1.25 CCC(=O)CCC1CCCC1 1458a_100000210414_100000760354 [0,1,0,1,0,0|0,0,0]=2 20597 B11R1.25 CCC(=O)CCC1CCCC1 1458a_100000211120_100000210202 [0,1,0,1,0,0|0,0,0]=2 20598 B11R1.25 CCC(=O)CCC1CCCO1 1458a_100011247709_100000210202 [0,1,0,1,0,0|0,0,0]=2 20599 B11R1.25 CCC(=O)CCC1OCCO1 1458a_100000082924_100000210202 [0,1,0,1,0,0|1,0,0]=3 20600 B11R1.25 CCC(=O)CCC1OCCO1 1458a_100000210414_100000740749 [0,1,0,1,0,0|1,0,0]=3 20601 B11R1.25 CCC(=O)CCN1CCCC1 1458a_100000210414_100000004467 [0,1,0,1,0,0|0,0,0]=2 20602 B11R1.25 CCC(=O)CCN1CCCC1 1458a_100000738983_100000210202 [0,1,0,1,0,0|0,0,0]=2 20603 B11R1.25 CCC(=O)CCN1CCCO1 1458a_200015187630_100000210202 [0,1,0,1,0,0|1,0,0]=3 20604 B11R1.25 CCC(=O)CNC1=NCCC1 1458a_100000118783_100000210202 [0,1,0,1,0,0|1,0,1]=4 20605 B11R1.25 CCC(=O)COC1CCCC1 1458a_100000741352_100000210202 [0,1,0,1,0,0|0,0,0]=2 20606 B11R1.25 CCC(=O)COC1CCCC1 34a_100000725409_100000179811 [0,1,0,1,0,0|0,0,0]=2 20607 B11R1.25 CCC(=O)COC1CCCC1 7a_100000210269_100000747405 [0,1,0,1,0,0|0,0,0]=2 20608 B11R1.25 CCC(=O)COC1CCOC1 34a_100000725409_100000690089 [0,1,0,1,0,0|1,0,0]=3 20609 B11R1.25 CCC(=O)COC1CCSC1 7a_100011232664_100000747405 [0,1,0,1,0,0|1,0,0]=3 20610 B11R1.25 CCC(=O)CSC1CCCC1 62a_100000747405_100000179811 [0,1,0,1,0,0|0,0,0]=2 20611 B11R1.25 CCC(=O)CSC1CCCC1 62a_100011217020_100000747405 [0,1,0,1,0,0|0,0,0]=2 20612 B11R1.25 CCC(=O)CSC1CCOC1 62a_100000747405_100000690089 [0,1,0,1,0,0|1,0,0]=3 20613 B11R1.25 CCC(=O)NCC1CCCC1 11a_100000737975_100000210414 [0,1,0,1,0,0|0,0,0]=2 20614 B11R1.25 CCC(=O)NCC1CCCC1 1626a_100000737975_100000210414 [0,1,0,1,0,0|0,0,0]=2 20615 B11R1.25 CCC(=O)NCC1CCCC1 240690a_100000737975_100000210414 [0,1,0,1,0,0|0,0,0]=2 20616 B11R1.25 CCC(=O)NCC1CCCC1 527a_100000737975_100000210414 [0,1,0,1,0,0|0,0,0]=2 20617 B11R1.25 CCC(=O)NCC1CCOC1 11a_100000737293_100000210414 [0,1,0,1,0,0|1,0,0]=3 20618 B11R1.25 CCC(=O)NCC1CCOC1 1626a_100000737293_100000210414 [0,1,0,1,0,0|1,0,0]=3 20619 B11R1.25 CCC(=O)NCC1CCOC1 240690a_100000737293_100000210414 [0,1,0,1,0,0|1,0,0]=3 20620 B11R1.25 CCC(=O)NCC1CCOC1 527a_100000737293_100000210414 [0,1,0,1,0,0|1,0,0]=3 20621 B11R1.25 CCC(=O)NCC1OCCO1 11a_100000036311_100000210414 [0,1,0,1,0,0|2,0,0]=4 20622 B11R1.25 CCC(=O)NCC1OCCO1 1626a_100000036311_100000210414 [0,1,0,1,0,0|2,0,0]=4 20623 B11R1.25 CCC(=O)NCC1OCCO1 527a_100000036311_100000210414 [0,1,0,1,0,0|2,0,0]=4 20624 B11R1.25 CCC(=O)NC[C@@H]1CCCO1 11a_100020590478_100000210414 [0,1,0,1,0,0|1,0,0]=3 20625 B11R1.25 CCC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100000210414 [0,1,0,1,0,0|1,0,0]=3 20626 B11R1.25 CCC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100000210414 [0,1,0,1,0,0|1,0,0]=3 20627 B11R1.25 CCC(=O)NC[C@@H]1CCCO1 527a_100020590478_100000210414 [0,1,0,1,0,0|1,0,0]=3 20628 B11R1.25 CCC(=O)NN=C1CCCC1 4a_100000183195_100000210133 [0,1,0,1,0,0|1,0,1]=4 20629 B11R1.25 CCC(=O)NNC1CCCC1 22a_100000737850_100000210414 [0,1,0,1,0,0|1,0,0]=3 20630 B11R1.25 CCC(=O)NNC1CCOC1 22a_100000690549_100000210414 [0,1,0,1,0,0|2,0,0]=4 20631 B11R1.25 CCC(=O)NNC1CCSC1 22a_200000731317_100000210414 [0,1,0,1,0,0|2,0,0]=4 20632 B11R1.25 CCC(C)CNC1CCCC1 2230a_100000211070_100000748023 [0,1,0,1,0,0|1,0,1]=4 20633 B11R1.25 CCC(C)CNC1CCCC1 2230a_100020588543_100000179811 [0,1,0,1,0,0|1,0,1]=4 20634 B11R1.25 CCC(C)CNC1CCCC1 270004a_100000211070_100000243153 [0,1,0,1,0,0|1,0,1]=4 20635 B11R1.25 CCC(C)CNC1CCCC1 270004a_100020588543_100000210133 [0,1,0,1,0,0|1,0,1]=4 20636 B11R1.25 CCC(C)CNC1CCCC1 34a_100000211070_100000748023 [0,1,0,1,0,0|1,0,1]=4 20637 B11R1.25 CCC(C)COC1CCCC1 34a_100000210269_100000748023 [0,1,0,1,0,0|1,0,1]=4 20638 B11R1.25 CCC(C)COC1CCCC1 7a_100000210269_100000748023 [0,1,0,1,0,0|1,0,1]=4 20639 B11R1.25 CCC(C)CSC1CCCC1 62a_100000748023_100000179811 [0,1,0,1,0,0|1,0,1]=4 20640 B11R1.25 CCC(C)CSC1CCCC1 62a_100011217020_100000748023 [0,1,0,1,0,0|1,0,1]=4 20641 B11R1.25 CCC(C)NCC1CCCC1 2230a_100000209981_100000740388 [0,1,0,1,0,0|1,0,1]=4 20642 B11R1.25 CCC(C)NCC1CCCC1 2230a_100000737975_100000758301 [0,1,0,1,0,0|1,0,1]=4 20643 B11R1.25 CCC(C)NCC1CCCC1 269862a_100000209981_100000746403 [0,1,0,1,0,0|1,0,1]=4 20644 B11R1.25 CCC(C)NCC1CCCC1 34a_100000737975_100011215416 [0,1,0,1,0,0|1,0,1]=4 20645 B11R1.25 CCC(C)OCC1CCCC1 34a_100000742336_100011215416 [0,1,0,1,0,0|1,0,1]=4 20646 B11R1.25 CCC(C)OCC1CCCC1 7a_100000210228_100000740388 [0,1,0,1,0,0|1,0,1]=4 20647 B11R1.25 CCC(C)OCC1CCCC1 7a_100000742336_100000758301 [0,1,0,1,0,0|1,0,1]=4 20648 B11R1.25 CCC(C)SCC1CCCC1 62a_100000740388_100000758301 [0,1,0,1,0,0|1,0,1]=4 20649 B11R1.25 CCC(C)SCC1CCCC1 62a_100000758301_100000740388 [0,1,0,1,0,0|1,0,1]=4 20650 B11R1.25 CCC(O)CNC1CCCC1 2230a_100000211070_100011218378 [0,1,0,1,0,0|0,0,2]=4 20651 B11R1.25 CCC(O)CNC1CCCC1 2230a_100011218483_100000179811 [0,1,0,1,0,0|0,0,2]=4 20652 B11R1.25 CCC(O)CNC1CCCC1 270004a_100011218483_100000210133 [0,1,0,1,0,0|0,0,2]=4 20653 B11R1.25 CCC(O)CNC1CCCC1 34a_100000211070_100011218378 [0,1,0,1,0,0|0,0,2]=4 20654 B11R1.25 CCC(O)COC1CCCC1 34a_100000210269_100011218378 [0,1,0,1,0,0|0,0,2]=4 20655 B11R1.25 CCC(O)COC1CCCC1 7a_100000210269_100011218378 [0,1,0,1,0,0|0,0,2]=4 20656 B11R1.25 CCC(O)CSC1CCCC1 62a_100011217020_100011218378 [0,1,0,1,0,0|0,0,2]=4 20657 B11R1.25 CCC(O)CSC1CCCC1 62a_100011218378_100000179811 [0,1,0,1,0,0|0,0,2]=4 20658 B11R1.25 CCN(C)CCC1CCCC1 2230a_100000225621_100000760354 [0,1,0,1,0,0|2,0,0]=4 20659 B11R1.25 CCN(C)CCC1CCCC1 269982a_100000225621_100000760354 [0,1,0,1,0,0|2,0,0]=4 20660 B11R1.25 CCN(C)CCN1CCCC1 2230a_100000225677_100000210202 [0,1,0,1,0,0|2,0,0]=4 20661 B11R1.25 CCN(C)CCN1CCCC1 2230a_100000226055_200000210301 [0,1,0,1,0,0|2,0,0]=4 20662 B11R1.25 CCN(C)CCN1CCCC1 269982a_100000225621_100000004467 [0,1,0,1,0,0|2,0,0]=4 20663 B11R1.25 CCN(C)CCN1CCCC1 269982a_100000225677_100000204670 [0,1,0,1,0,0|2,0,0]=4 20664 B11R1.25 CCN(C)CCN1CCCC1 269982a_100000226055_200000210301 [0,1,0,1,0,0|2,0,0]=4 20665 B11R1.25 CCN([13CH3])CCN1CCCC1 2230a_100000226055_200025704644 [0,1,0,1,0,0|2,0,0]=4 20666 B11R1.25 CCN([13CH3])CCN1CCCC1 269982a_100000226055_200025704644 [0,1,0,1,0,0|2,0,0]=4 20667 B11R1.25 CC[C@H](C)CNC1CCCC1 2230a_100000211070_100009816398 [0,1,0,1,0,0|1,0,1]=4 20668 B11R1.25 CC[C@H](C)CNC1CCCC1 34a_100000211070_100009816398 [0,1,0,1,0,0|1,0,1]=4 20669 B11R1.25 CC[C@H](C)COC1CCCC1 34a_100000210269_100009816398 [0,1,0,1,0,0|1,0,1]=4 20670 B11R1.25 CC[C@H](C)COC1CCCC1 7a_100000210269_100009816398 [0,1,0,1,0,0|1,0,1]=4 20671 B11R1.25 CC[C@H](C)COC1CCCC1 7a_100009816381_100000179811 [0,1,0,1,0,0|1,0,1]=4 20672 B11R1.25 CC[C@H](C)CSC1CCCC1 62a_100009816398_100000179811 [0,1,0,1,0,0|1,0,1]=4 20673 B11R1.25 CC[C@H](C)CSC1CCCC1 62a_100011217020_100009816398 [0,1,0,1,0,0|1,0,1]=4 20674 B11R1.25 CNC(=O)CCC1CCCC1 11a_106832991635_100000211120 [0,1,0,1,0,0|1,0,0]=3 20675 B11R1.25 CNC(=O)CCC1CCCC1 1626a_100102657272_100000211120 [0,1,0,1,0,0|1,0,0]=3 20676 B11R1.25 CNC(=O)CCC1CCCC1 240690a_100102657272_100000211120 [0,1,0,1,0,0|1,0,0]=3 20677 B11R1.25 CNC(=O)CCC1CCCC1 527a_100102657272_100000211120 [0,1,0,1,0,0|1,0,0]=3 20678 B11R1.25 CNC(=O)CCC1CCCO1 11a_106832991635_100011247709 [0,1,0,1,0,0|1,0,0]=3 20679 B11R1.25 CNC(=O)CCC1CCCO1 1626a_100102657272_100011247709 [0,1,0,1,0,0|1,0,0]=3 20680 B11R1.25 CNC(=O)CCC1CCCO1 240690a_100102657272_100011247709 [0,1,0,1,0,0|1,0,0]=3 20681 B11R1.25 CNC(=O)CCC1CCCO1 527a_100102657272_100011247709 [0,1,0,1,0,0|1,0,0]=3 20682 B11R1.25 CNC(=O)CCN1CCCC1 2230a_100000188435_100000737683 [0,1,0,1,0,0|1,0,0]=3 20683 B11R1.25 CNC(=O)CCN1CCCC1 240690a_100102657272_100000738983 [0,1,0,1,0,0|1,0,0]=3 20684 B11R1.25 CNC(=O)CCN1CCCC1 269982a_100000188435_100000737683 [0,1,0,1,0,0|1,0,0]=3 20685 B11R1.25 CNC(=O)CCN1CCCO1 240690a_100102657272_200015187630 [0,1,0,1,0,0|2,0,0]=4 20686 B11R1.25 CNC(=O)CCN1CCSC1 2230a_100011215254_100000737683 [0,1,0,1,0,0|2,0,0]=4 20687 B11R1.25 CNC(=O)CCN1CCSC1 269982a_100011215254_100000737683 [0,1,0,1,0,0|2,0,0]=4 20688 B11R1.25 CNC(=O)CNC1CCCC1 2230a_100000211070_100000183359 [0,1,0,1,0,0|1,0,0]=3 20689 B11R1.25 CNC(=O)CNC1CCCC1 2230a_100000693194_100000179811 [0,1,0,1,0,0|1,0,0]=3 20690 B11R1.25 CNC(=O)CNC1CCCC1 270004a_100000693194_100000210133 [0,1,0,1,0,0|1,0,0]=3 20691 B11R1.25 CNC(=O)CNC1CCCC1 34a_100000211070_100000183359 [0,1,0,1,0,0|1,0,0]=3 20692 B11R1.25 CNC(=O)CNC1CCOC1 2230a_100000693194_100000731011 [0,1,0,1,0,0|2,0,0]=4 20693 B11R1.25 CNC(=O)CNC1CCOC1 270004a_100000693194_100000752484 [0,1,0,1,0,0|2,0,0]=4 20694 B11R1.25 CNC(=O)CNC1CCSC1 270004a_100000693194_100000212027 [0,1,0,1,0,0|2,0,0]=4 20695 B11R1.25 CNC(=O)CN[C@@H]1CCOC1 2230a_200015188469_100000183359 [0,1,0,1,0,0|2,0,0]=4 20696 B11R1.25 CNC(=O)CN[C@H]1CCOC1 2230a_100015188467_100000183359 [0,1,0,1,0,0|2,0,0]=4 20697 B11R1.25 CNC(=O)CN[C@H]1CCOC1 34a_100015188467_100000183359 [0,1,0,1,0,0|2,0,0]=4 20698 B11R1.25 CNC(=O)COC1CCCC1 11a_106832991635_100000741352 [0,1,0,1,0,0|1,0,0]=3 20699 B11R1.25 CNC(=O)COC1CCCC1 1626a_100102657272_100000741352 [0,1,0,1,0,0|1,0,0]=3 20700 B11R1.25 CNC(=O)COC1CCCC1 240690a_100102657272_100000741352 [0,1,0,1,0,0|1,0,0]=3 20701 B11R1.25 CNC(=O)COC1CCCC1 34a_100000210269_100000183359 [0,1,0,1,0,0|1,0,0]=3 20702 B11R1.25 CNC(=O)COC1CCCC1 34a_100000750040_100000179811 [0,1,0,1,0,0|1,0,0]=3 20703 B11R1.25 CNC(=O)COC1CCCC1 527a_100102657272_100000741352 [0,1,0,1,0,0|1,0,0]=3 20704 B11R1.25 CNC(=O)COC1CCCC1 7a_100000210269_100000183359 [0,1,0,1,0,0|1,0,0]=3 20705 B11R1.25 CNC(=O)COC1CCCO1 34a_100000085407_100000183359 [0,1,0,1,0,0|2,0,0]=4 20706 B11R1.25 CNC(=O)COC1CCOC1 34a_100000750040_100000690089 [0,1,0,1,0,0|2,0,0]=4 20707 B11R1.25 CNC(=O)COC1CCSC1 7a_100011232664_100000183359 [0,1,0,1,0,0|2,0,0]=4 20708 B11R1.25 CNC(=O)CO[C@H]1CCOC1 34a_100000717292_100000183359 [0,1,0,1,0,0|2,0,0]=4 20709 B11R1.25 CNC(=O)CSC1CCCC1 62a_100000183359_100000179811 [0,1,0,1,0,0|1,0,0]=3 20710 B11R1.25 CNC(=O)CSC1CCCC1 62a_100011217020_100000183359 [0,1,0,1,0,0|1,0,0]=3 20711 B11R1.25 CNC(=O)CSC1CCOC1 62a_100000183359_100000690089 [0,1,0,1,0,0|2,0,0]=4 20712 B11R1.25 CNC(=O)NCC1CCCC1 2708a_100000737975_106832991635 [0,1,0,1,0,0|1,0,0]=3 20713 B11R1.25 CNC(=O)NCC1CCCC1 2708a_100102657272_100000737975 [0,1,0,1,0,0|1,0,0]=3 20714 B11R1.25 CNC(=O)NCC1CCCC1 273464a_100000737975_100102657272 [0,1,0,1,0,0|1,0,0]=3 20715 B11R1.25 CNC(=O)NCC1CCCC1 273464a_100102657272_100000737975 [0,1,0,1,0,0|1,0,0]=3 20716 B11R1.25 CNC(=O)NCC1CCCC1 512a_100000737975_100102657272 [0,1,0,1,0,0|1,0,0]=3 20717 B11R1.25 CNC(=O)NCC1CCCC1 512a_106832991638_100000737975 [0,1,0,1,0,0|1,0,0]=3 20718 B11R1.25 CNC(=O)NCC1CCOC1 2708a_100000737293_106832991635 [0,1,0,1,0,0|2,0,0]=4 20719 B11R1.25 CNC(=O)NCC1CCOC1 2708a_100102657272_100000737293 [0,1,0,1,0,0|2,0,0]=4 20720 B11R1.25 CNC(=O)NCC1CCOC1 273464a_100000737293_100102657272 [0,1,0,1,0,0|2,0,0]=4 20721 B11R1.25 CNC(=O)NCC1CCOC1 273464a_100102657272_100000737293 [0,1,0,1,0,0|2,0,0]=4 20722 B11R1.25 CNC(=O)NCC1CCOC1 512a_100000737293_100102657272 [0,1,0,1,0,0|2,0,0]=4 20723 B11R1.25 CNC(=O)NCC1CCOC1 512a_106832991638_100000737293 [0,1,0,1,0,0|2,0,0]=4 20724 B11R1.25 CNC(=O)NC[C@@H]1CCCO1 2708a_100020590478_106832991635 [0,1,0,1,0,0|2,0,0]=4 20725 B11R1.25 CNC(=O)NC[C@@H]1CCCO1 2708a_100102657272_100020590478 [0,1,0,1,0,0|2,0,0]=4 20726 B11R1.25 CNC(=O)NC[C@@H]1CCCO1 273464a_100020590478_100102657272 [0,1,0,1,0,0|2,0,0]=4 20727 B11R1.25 CNC(=O)NC[C@@H]1CCCO1 273464a_100102657272_100020590478 [0,1,0,1,0,0|2,0,0]=4 20728 B11R1.25 CNC(=O)NC[C@@H]1CCCO1 512a_100020590478_100102657272 [0,1,0,1,0,0|2,0,0]=4 20729 B11R1.25 CNC(=O)NNC1CCCC1 273464a_100102657272_100000737850 [0,1,0,1,0,0|2,0,0]=4 20730 B11R1.25 CNC(=O)NNC1CCCC1 512a_106832991638_100000737850 [0,1,0,1,0,0|2,0,0]=4 20731 B11R1.25 COC(=O)CCN1CCCC1 2230a_100000188435_100000204255 [0,1,0,1,0,0|1,0,0]=3 20732 B11R1.25 COC(=O)CCN1CCCC1 269982a_100000188435_100000204255 [0,1,0,1,0,0|1,0,0]=3 20733 B11R1.25 COC(=O)CCN1CCSC1 2230a_100011215254_100000204255 [0,1,0,1,0,0|2,0,0]=4 20734 B11R1.25 COC(=O)CCN1CCSC1 269982a_100011215254_100000204255 [0,1,0,1,0,0|2,0,0]=4 20735 B11R1.25 COC(=O)CNC1CCCC1 2230a_100000211070_100000747449 [0,1,0,1,0,0|1,0,0]=3 20736 B11R1.25 COC(=O)CNC1CCCC1 34a_100000211070_100000747449 [0,1,0,1,0,0|1,0,0]=3 20737 B11R1.25 COC(=O)CN[C@@H]1CCOC1 2230a_200015188469_100000747449 [0,1,0,1,0,0|2,0,0]=4 20738 B11R1.25 COC(=O)CN[C@H]1CCOC1 2230a_100015188467_100000747449 [0,1,0,1,0,0|2,0,0]=4 20739 B11R1.25 COC(=O)CN[C@H]1CCOC1 34a_100015188467_100000747449 [0,1,0,1,0,0|2,0,0]=4 20740 B11R1.25 COC(=O)COC1CCCC1 34a_100000210269_100000747449 [0,1,0,1,0,0|1,0,0]=3 20741 B11R1.25 COC(=O)COC1CCCC1 7a_100000210269_100000747449 [0,1,0,1,0,0|1,0,0]=3 20742 B11R1.25 COC(=O)COC1CCCO1 34a_100000085407_100000747449 [0,1,0,1,0,0|2,0,0]=4 20743 B11R1.25 COC(=O)COC1CCSC1 7a_100011232664_100000747449 [0,1,0,1,0,0|2,0,0]=4 20744 B11R1.25 COC(=O)CO[C@H]1CCOC1 34a_100000717292_100000747449 [0,1,0,1,0,0|2,0,0]=4 20745 B11R1.25 COC(=O)CSC1CCCC1 62a_100000747449_100000179811 [0,1,0,1,0,0|1,0,0]=3 20746 B11R1.25 COC(=O)CSC1CCCC1 62a_100011217020_100000747449 [0,1,0,1,0,0|1,0,0]=3 20747 B11R1.25 COC(=O)CSC1CCOC1 62a_100000747449_100000690089 [0,1,0,1,0,0|2,0,0]=4 20748 B11R1.25 O=C(CF)CCC1CCCC1 1458a_100000211120_100015361967 [0,1,0,1,0,0|1,0,0]=3 20749 B11R1.25 O=C(CF)CCC1CCCO1 1458a_100011247709_100015361967 [0,1,0,1,0,0|1,0,0]=3 20750 B11R1.25 O=C(CF)CCC1OCCO1 1458a_100000082924_100015361967 [0,1,0,1,0,0|2,0,0]=4 20751 B11R1.25 O=C(CF)CCN1CCCC1 1458a_100000738983_100015361967 [0,1,0,1,0,0|1,0,0]=3 20752 B11R1.25 O=C(CF)CCN1CCCO1 1458a_200015187630_100015361967 [0,1,0,1,0,0|2,0,0]=4 20753 B11R1.25 O=C(CF)COC1CCCC1 1458a_100000741352_100015361967 [0,1,0,1,0,0|1,0,0]=3 20754 B11R1.25 O=C(CO)CCC1CCCC1 1458a_100000210174_100000760354 [0,1,0,1,0,0|1,0,0]=3 20755 B11R1.25 O=C(CO)CCC1OCCO1 1458a_100000210174_100000740749 [0,1,0,1,0,0|2,0,0]=4 20756 B11R1.25 O=C(CO)CCN1CCCC1 1458a_100000210174_100000004467 [0,1,0,1,0,0|1,0,0]=3 20757 B11R1.25 O=C(CO)NCC1CCCC1 240690a_100000737975_100000210174 [0,1,0,1,0,0|1,0,0]=3 20758 B11R1.25 O=C(CO)NCC1CCCC1 527a_100000737975_100000210174 [0,1,0,1,0,0|1,0,0]=3 20759 B11R1.25 O=C(CO)NCC1CCOC1 240690a_100000737293_100000210174 [0,1,0,1,0,0|2,0,0]=4 20760 B11R1.25 O=C(CO)NCC1CCOC1 527a_100000737293_100000210174 [0,1,0,1,0,0|2,0,0]=4 20761 B11R1.25 O=C(CO)NC[C@@H]1CCCO1 240690a_100020590478_100000210174 [0,1,0,1,0,0|2,0,0]=4 20762 B11R1.25 O=C(CO)NC[C@@H]1CCCO1 527a_100020590478_100000210174 [0,1,0,1,0,0|2,0,0]=4 20763 B11R1.25 O=C(CO)NNC1CCCC1 22a_100000737850_100000210174 [0,1,0,1,0,0|2,0,0]=4 20764 B11R1.27 C#CCCOC1CCC(=O)C1 34a_100012614533_100000688953 [0,1,0,1,0,0|0,0,2]=4 20765 B11R1.27 C/C=C/COC1CCC(=O)C1 34a_100012614533_100102629194 [0,1,0,1,0,0|0,0,2]=4 20766 B11R1.27 C=CCCOC1CCC(=O)C1 34a_100012614533_100000754431 [0,1,0,1,0,0|0,0,2]=4 20767 B11R1.27 CC#CCOC1CCC(=O)C1 34a_100012614533_100000748600 [0,1,0,1,0,0|0,0,2]=4 20768 B11R1.27 CC=CCOC1CCC(=O)C1 34a_100012614533_100000070051 [0,1,0,1,0,0|0,0,2]=4 20769 B11R1.27 CCCCCN1CCC(C1)O 2230a_100011215560_100000210326 [0,1,0,1,0,0|0,0,2]=4 20770 B11R1.27 CCCCCN1CCC(C1)O 269982a_100011215560_100000210215 [0,1,0,1,0,0|0,0,2]=4 20771 B11R1.27 CCCCCN1CC[C@@H](C1)F 2230a_100015203821_100000210326 [0,1,0,1,0,0|1,0,1]=4 20772 B11R1.27 CCCCCN1CC[C@@H](C1)F 269982a_100015203821_100000210215 [0,1,0,1,0,0|1,0,1]=4 20773 B11R1.27 CCCCCN1CC[C@@H](C1)F 34a_100015203821_100000718602 [0,1,0,1,0,0|1,0,1]=4 20774 B11R1.27 CCCCCN1CC[C@H](C1)C 2230a_100016987628_100000210326 [0,1,0,1,0,0|1,0,1]=4 20775 B11R1.27 CCCCCN1CC[C@H](C1)C 269982a_100016987628_100000210215 [0,1,0,1,0,0|1,0,1]=4 20776 B11R1.27 CCCCCN1CC[C@H](C1)C 34a_100016987628_100000718602 [0,1,0,1,0,0|1,0,1]=4 20777 B11R1.27 CCCCCN1CNC(=O)C1 2230a_200000708111_100000210326 [0,1,0,1,0,0|1,0,0]=3 20778 B11R1.27 CCCCNC1CCC(C1)C 270004a_100000102301_100011215218 [0,1,0,1,0,0|1,0,1]=4 20779 B11R1.27 CCCCNC1CCC(C1)O 270004a_100000102301_100012614533 [0,1,0,1,0,0|0,0,2]=4 20780 B11R1.27 CCCCNC1CCN(C1)C 7a_106832991798_200012183744 [0,1,0,1,0,0|2,0,0]=4 20781 B11R1.27 CCCCNC1CNC(=O)C1 2230a_100000697751_100000210211 [0,1,0,1,0,0|1,0,0]=3 20782 B11R1.27 CCCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210211 [0,1,0,1,0,0|0,0,2]=4 20783 B11R1.27 CCCCOC1CCC(=O)C1 34a_100012614533_100000210210 [0,1,0,1,0,0|0,0,0]=2 20784 B11R1.27 CCCCOC1CCC(C1)C 34a_100000698185_100000210210 [0,1,0,1,0,0|1,0,1]=4 20785 B11R1.27 CCCCOC1CCN(C1)C 7a_100000210227_200012183744 [0,1,0,1,0,0|2,0,0]=4 20786 B11R1.27 CCCCOC1CNC(=O)C1 34a_100000690082_100000210210 [0,1,0,1,0,0|1,0,0]=3 20787 B11R1.27 CCCCOC1COC(=O)O1 34a_100000210227_100000032252 [0,1,0,1,0,0|2,0,0]=4 20788 B11R1.27 CCCCSC1CCN(C1)C 62a_100000210211_200012183744 [0,1,0,1,0,0|2,0,0]=4 20789 B11R1.27 CCCCSC1COC(=O)O1 62a_100000210211_100000032252 [0,1,0,1,0,0|2,0,0]=4 20790 B11R1.27 CCCNCC1CNC(=O)C1 2230a_100016993742_100000210303 [0,1,0,1,0,0|1,0,0]=3 20791 B11R1.27 CCCNCC1CNC(=O)C1 34a_100016993742_100000210303 [0,1,0,1,0,0|1,0,0]=3 20792 B11R1.27 CCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210303 [0,1,0,1,0,0|1,0,0]=3 20793 B11R1.27 CCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210303 [0,1,0,1,0,0|1,0,0]=3 20794 B11R1.27 CCCOCC1CCC(=O)N1 34a_100000737831_100000210303 [0,1,0,1,0,0|1,0,0]=3 20795 B11R1.27 CCCOCC1CCN(C1)C 2230a_200011652792_200000210301 [0,1,0,1,0,0|2,0,0]=4 20796 B11R1.27 CCCOCC1CCN(C1)C 269982a_200011652792_200000210301 [0,1,0,1,0,0|2,0,0]=4 20797 B11R1.27 CCCOCC1CCN(C1)C 34a_100000210258_200000690779 [0,1,0,1,0,0|2,0,0]=4 20798 B11R1.27 CCCOCC1CCN(C1)C 34a_200011652792_200000210301 [0,1,0,1,0,0|2,0,0]=4 20799 B11R1.27 CCCOCC1CCN(C1)[13CH3] 2230a_200011652792_200025704644 [0,1,0,1,0,0|2,0,0]=4 20800 B11R1.27 CCCOCC1CCN(C1)[13CH3] 269982a_200011652792_200025704644 [0,1,0,1,0,0|2,0,0]=4 20801 B11R1.27 CCCOCC1CCN(C1)[13CH3] 34a_200011652792_200025704644 [0,1,0,1,0,0|2,0,0]=4 20802 B11R1.27 CCCOCC1CNC(=O)C1 34a_100016041077_100000210303 [0,1,0,1,0,0|1,0,0]=3 20803 B11R1.27 CCCOCC1CNC(=O)O1 34a_100000210258_100000181169 [0,1,0,1,0,0|2,0,0]=4 20804 B11R1.27 CCCOCC1CNC(=O)O1 34a_100011315639_100000210303 [0,1,0,1,0,0|2,0,0]=4 20805 B11R1.27 CCCOCC1COC(=O)O1 34a_100000210258_100000073702 [0,1,0,1,0,0|2,0,0]=4 20806 B11R1.27 CCCOC[C@H]1COC(=O)N1 34a_100000210258_100015307671 [0,1,0,1,0,0|2,0,0]=4 20807 B11R1.27 CCCSCC1CCN(C1)C 62a_100000210303_200000690779 [0,1,0,1,0,0|2,0,0]=4 20808 B11R1.27 CCCSCC1CCN(C1)C 62a_200000690779_100000210303 [0,1,0,1,0,0|2,0,0]=4 20809 B11R1.27 CCCSCC1CNC(=O)O1 62a_100000181169_100000210303 [0,1,0,1,0,0|2,0,0]=4 20810 B11R1.27 CCCSCC1CNC(=O)O1 62a_100000210303_100000181169 [0,1,0,1,0,0|2,0,0]=4 20811 B11R1.27 CCCSCC1COC(=O)O1 62a_100000073702_100000210303 [0,1,0,1,0,0|2,0,0]=4 20812 B11R1.27 CCCSCC1COC(=O)O1 62a_100000210303_100000073702 [0,1,0,1,0,0|2,0,0]=4 20813 B11R1.27 CCCSC[C@@H]1CCC(=O)N1 62a_100000210303_100015189358 [0,1,0,1,0,0|1,0,0]=3 20814 B11R1.27 CCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210303 [0,1,0,1,0,0|1,0,0]=3 20815 B11R1.27 CCCSC[C@H]1COC(=O)N1 62a_100000210303_100015307671 [0,1,0,1,0,0|2,0,0]=4 20816 B11R1.27 CCCSC[C@H]1COC(=O)N1 62a_100015307671_100000210303 [0,1,0,1,0,0|2,0,0]=4 20817 B11R1.27 CCOCCN1CNC(=O)C1 2230a_200000708111_100011215890 [0,1,0,1,0,0|2,0,0]=4 20818 B11R1.27 CCSCCN1CNC(=O)C1 2230a_200000708111_100000757381 [0,1,0,1,0,0|2,0,0]=4 20819 B11R1.27 COCCCN1CNC(=O)C1 2230a_200000708111_100000740836 [0,1,0,1,0,0|2,0,0]=4 20820 B11R1.27 COCCNC1CNC(=O)C1 2230a_100000697751_100011201679 [0,1,0,1,0,0|2,0,0]=4 20821 B11R1.27 COCCOC1CCC(=O)C1 34a_100012614533_100011201679 [0,1,0,1,0,0|1,0,0]=3 20822 B11R1.27 COCCOC1CNC(=O)C1 34a_100000690082_100011201679 [0,1,0,1,0,0|2,0,0]=4 20823 B11R1.27 COCNCC1CNC(=O)C1 2230a_100016993742_100000766300 [0,1,0,1,0,0|2,0,0]=4 20824 B11R1.27 COCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000766300 [0,1,0,1,0,0|2,0,0]=4 20825 B11R1.27 COCSC[C@@H]1CCC(=O)N1 62a_100000766300_100015189358 [0,1,0,1,0,0|2,0,0]=4 20826 B11R1.27 COCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000766300 [0,1,0,1,0,0|2,0,0]=4 20827 B11R1.27 CSCCNC1CNC(=O)C1 2230a_100000697751_100000751147 [0,1,0,1,0,0|2,0,0]=4 20828 B11R1.27 CSCCOC1CCC(=O)C1 34a_100012614533_100000212216 [0,1,0,1,0,0|1,0,0]=3 20829 B11R1.27 CSCCOC1CNC(=O)C1 34a_100000690082_100000212216 [0,1,0,1,0,0|2,0,0]=4 20830 B11R1.27 CSCNCC1CNC(=O)C1 2230a_100016993742_100011218213 [0,1,0,1,0,0|2,0,0]=4 20831 B11R1.27 CSCNCC1CNC(=O)C1 34a_100016993742_100011218213 [0,1,0,1,0,0|2,0,0]=4 20832 B11R1.27 CSCNC[C@H]1CCC(=O)N1 2230a_100015423886_100011218213 [0,1,0,1,0,0|2,0,0]=4 20833 B11R1.27 CSCNC[C@H]1CCC(=O)N1 34a_100015423886_100011218213 [0,1,0,1,0,0|2,0,0]=4 20834 B11R1.27 CSCOCC1CCC(=O)N1 34a_100000737831_100011218213 [0,1,0,1,0,0|2,0,0]=4 20835 B11R1.27 CSCOCC1CNC(=O)C1 34a_100016041077_100011218213 [0,1,0,1,0,0|2,0,0]=4 20836 B11R1.27 CSCSC[C@@H]1CCC(=O)N1 62a_100011218213_100015189358 [0,1,0,1,0,0|2,0,0]=4 20837 B11R1.27 CSCSC[C@@H]1CCC(=O)N1 62a_100015189358_100011218213 [0,1,0,1,0,0|2,0,0]=4 20838 B11R1.27 O=C1CC(CN1)CNCCF 2230a_100016993742_100011217306 [0,1,0,1,0,0|2,0,0]=4 20839 B11R1.27 O=C1CC(CN1)CNCCF 34a_100016993742_100011217306 [0,1,0,1,0,0|2,0,0]=4 20840 B11R1.27 O=C1CC(CN1)CNCCO 2230a_100016993742_100000211926 [0,1,0,1,0,0|2,0,0]=4 20841 B11R1.27 O=C1CC(CN1)CNCCO 34a_100016993742_100000211926 [0,1,0,1,0,0|2,0,0]=4 20842 B11R1.27 O=C1CC(CN1)COCCF 34a_100016041077_100011217306 [0,1,0,1,0,0|2,0,0]=4 20843 B11R1.27 O=C1CC(CN1)COCCO 34a_100016041077_100000211926 [0,1,0,1,0,0|2,0,0]=4 20844 B11R1.27 O=C1CC(CN1)NCCCF 2230a_100000697751_100011934791 [0,1,0,1,0,0|2,0,0]=4 20845 B11R1.27 O=C1CC(CN1)NCCCO 2230a_100000697751_100000230001 [0,1,0,1,0,0|2,0,0]=4 20846 B11R1.27 O=C1CC(CN1)OCCCF 34a_100000690082_100011934791 [0,1,0,1,0,0|2,0,0]=4 20847 B11R1.27 O=C1CC(CN1)OCCCO 34a_100000690082_100000230001 [0,1,0,1,0,0|2,0,0]=4 20848 B11R1.27 O=C1CCC(C1)OCCCF 34a_100012614533_100011934791 [0,1,0,1,0,0|1,0,0]=3 20849 B11R1.27 O=C1CCC(C1)OCCCO 34a_100012614533_100000230001 [0,1,0,1,0,0|1,0,0]=3 20850 B11R1.27 O=C1CCC(N1)COCCF 34a_100000737831_100011217306 [0,1,0,1,0,0|2,0,0]=4 20851 B11R1.27 O=C1CCC(N1)COCCO 34a_100000737831_100000211926 [0,1,0,1,0,0|2,0,0]=4 20852 B11R1.27 O=C1CC[C@@H](N1)CNCCF 2230a_100015423886_100011217306 [0,1,0,1,0,0|2,0,0]=4 20853 B11R1.27 O=C1CC[C@@H](N1)CNCCF 34a_100015423886_100011217306 [0,1,0,1,0,0|2,0,0]=4 20854 B11R1.27 O=C1CC[C@@H](N1)CNCCO 2230a_100015423886_100000211926 [0,1,0,1,0,0|2,0,0]=4 20855 B11R1.27 O=C1CC[C@@H](N1)CNCCO 34a_100015423886_100000211926 [0,1,0,1,0,0|2,0,0]=4 20856 B11R1.27 O=C1CC[C@H](N1)CNCCO 2230a_100016997473_100015189358 [0,1,0,1,0,0|2,0,0]=4 20857 B11R1.27 O=C1CC[C@H](N1)CSCCF 62a_100011217306_100015189358 [0,1,0,1,0,0|2,0,0]=4 20858 B11R1.27 O=C1CC[C@H](N1)CSCCF 62a_100015189358_100011217306 [0,1,0,1,0,0|2,0,0]=4 20859 B11R1.27 O=C1CC[C@H](N1)CSCCO 62a_100000211926_100015189358 [0,1,0,1,0,0|2,0,0]=4 20860 B11R1.27 O=C1CC[C@H](N1)CSCCO 62a_100015189358_100000211926 [0,1,0,1,0,0|2,0,0]=4 20861 B11R1.27 O=C1CN(CN1)CCCCF 2230a_200000708111_100000729493 [0,1,0,1,0,0|2,0,0]=4 20862 B11R1.27 O=C1CN(CN1)CCCCO 2230a_200000708111_100000210776 [0,1,0,1,0,0|2,0,0]=4 20863 B11R1.46 CCCCCOCC1CC1C 34a_100000744939_100000718602 [0,1,0,1,0,0|1,0,1]=4 20864 B11R1.46 CCCCCOCC1CC1C 7a_100000744939_100000210326 [0,1,0,1,0,0|1,0,1]=4 20865 B11R1.47 CCCCCCCN1CCC1 269982a_100000754969_100000210681 [0,1,0,1,0,0|2,0,0]=4 20866 B11R1.47 CCCCCCNC1CCC1 2230a_100000749019_100000210314 [0,1,0,1,0,0|1,0,1]=4 20867 B11R1.47 CCCCCCNC1CCC1 270004a_100000210581_100000241760 [0,1,0,1,0,0|1,0,1]=4 20868 B11R1.47 CCCCCCNC1CCC1 34a_100000749019_100000210314 [0,1,0,1,0,0|1,0,1]=4 20869 B11R1.47 CCCCCCOC1CCC1 34a_100000210259_100000749161 [0,1,0,1,0,0|1,0,1]=4 20870 B11R1.47 CCCCCCOC1CCC1 34a_100000748187_100000210314 [0,1,0,1,0,0|1,0,1]=4 20871 B11R1.47 CCCCCCSC1CCC1 62a_100000210314_100000749161 [0,1,0,1,0,0|1,0,1]=4 20872 B11R1.47 CCCCCNCC1CCC1 2230a_100000209983_100000763275 [0,1,0,1,0,0|1,0,1]=4 20873 B11R1.47 CCCCCNCC1CCC1 2230a_100000738700_100000210326 [0,1,0,1,0,0|1,0,1]=4 20874 B11R1.47 CCCCCNCC1CCC1 269862a_100000209983_100000753134 [0,1,0,1,0,0|1,0,1]=4 20875 B11R1.47 CCCCCNCC1CCC1 34a_100000738700_100000718602 [0,1,0,1,0,0|1,0,1]=4 20876 B11R1.47 CCCCCNCC1CCO1 2230a_100000209983_100000103362 [0,1,0,1,0,0|0,0,2]=4 20877 B11R1.47 CCCCCNC[C@@H]1CCO1 2230a_100020831831_100000210326 [0,1,0,1,0,0|0,0,2]=4 20878 B11R1.47 CCCCCNC[C@@H]1CCO1 34a_100020831831_100000718602 [0,1,0,1,0,0|0,0,2]=4 20879 B11R1.47 CCCCCNN=C1CCC1 4a_100000694160_100000241760 [0,1,0,1,0,0|2,0,0]=4 20880 B11R1.47 CCCCCOCC1CCC1 34a_100000210253_100000763275 [0,1,0,1,0,0|1,0,1]=4 20881 B11R1.47 CCCCCOCC1CCC1 34a_100000760304_100000718602 [0,1,0,1,0,0|1,0,1]=4 20882 B11R1.47 CCCCCOCC1CCC1 7a_100000210253_100000763275 [0,1,0,1,0,0|1,0,1]=4 20883 B11R1.47 CCCCCOCC1CCO1 34a_100000039022_100000718602 [0,1,0,1,0,0|0,0,2]=4 20884 B11R1.47 CCCCCOCC1CCO1 34a_100000210253_100000103362 [0,1,0,1,0,0|0,0,2]=4 20885 B11R1.47 CCCCCOCC1CCO1 7a_100000210253_100000103362 [0,1,0,1,0,0|0,0,2]=4 20886 B11R1.47 CCCCCSCC1CCC1 62a_100000210326_100000763275 [0,1,0,1,0,0|1,0,1]=4 20887 B11R1.47 CCCCCSCC1CCC1 62a_100000763275_100000210326 [0,1,0,1,0,0|1,0,1]=4 20888 B11R1.47 CCCCCSCC1CCO1 62a_100000103362_100000210326 [0,1,0,1,0,0|0,0,2]=4 20889 B11R1.47 CCCCCSCC1CCO1 62a_100000210326_100000103362 [0,1,0,1,0,0|0,0,2]=4 20890 B11R1.47 CCCCOCCN1CCC1 269982a_100000754969_100000743108 [0,1,0,1,0,0|2,0,0]=4 20891 B11R1.47 FCCCCCCN1CCC1 269982a_100000754969_100015922095 [0,1,0,1,0,0|2,0,0]=4 20892 B11R1.47 OCCCCCCN1CCC1 269982a_100000754969_100000766143 [0,1,0,1,0,0|2,0,0]=4 20893 B11R1.59 C=CC(=O)N1CCCC1CC 1626a_100000754278_100000185746 [0,1,0,1,0,0|0,0,2]=4 20894 B11R1.59 C=CC(=O)N1CCCC1CC 240690a_100000754278_200121576911 [0,1,0,1,0,0|0,0,2]=4 20895 B11R1.59 CCC(=O)C1CCCN1CC 1458a_106256033941_100000210202 [0,1,0,1,0,0|0,0,0]=2 20896 B11R1.59 CCC(=O)N1CC=CC1CC 11a_100000730860_100000210414 [0,1,0,1,0,0|0,0,2]=4 20897 B11R1.59 CCC(=O)N1CC=CC1CC 1626a_100000730860_100000210414 [0,1,0,1,0,0|0,0,2]=4 20898 B11R1.59 CCC(=O)N1CC=CC1CC 240690a_100000730860_100000210414 [0,1,0,1,0,0|0,0,2]=4 20899 B11R1.59 CCC(=O)N1CC=CC1CC 527a_100000730860_100000210414 [0,1,0,1,0,0|0,0,2]=4 20900 B11R1.59 CCC(=O)N1CCCC1C#N 11a_100000701862_100000210414 [0,1,0,1,0,0|1,0,1]=4 20901 B11R1.59 CCC(=O)N1CCCC1C#N 1626a_100000701862_100000210414 [0,1,0,1,0,0|1,0,1]=4 20902 B11R1.59 CCC(=O)N1CCCC1C#N 240690a_100000701862_100000210414 [0,1,0,1,0,0|1,0,1]=4 20903 B11R1.59 CCC(=O)N1CCCC1C#N 527a_100000701862_100000210414 [0,1,0,1,0,0|1,0,1]=4 20904 B11R1.59 CCC(=O)N1CCCC1CC 11a_100000754278_100000210414 [0,1,0,1,0,0|0,0,0]=2 20905 B11R1.59 CCC(=O)N1CCCC1CC 1626a_100000754278_100000210414 [0,1,0,1,0,0|0,0,0]=2 20906 B11R1.59 CCC(=O)N1CCCC1CC 240690a_100000754278_100000210414 [0,1,0,1,0,0|0,0,0]=2 20907 B11R1.59 CCC(=O)N1CCCC1CC 527a_100000754278_100000210414 [0,1,0,1,0,0|0,0,0]=2 20908 B11R1.59 CCC(=O)N1CCC[C@@H]1C#N 240690a_106645074975_100000210414 [0,1,0,1,0,0|1,0,1]=4 20909 B11R1.59 CCC(=O)N1CCC[C@@H]1C#N 527a_106645074975_100000210414 [0,1,0,1,0,0|1,0,1]=4 20910 B11R1.59 CCC(=O)N1CCC[C@@H]1CO 240690a_100000745186_100000210414 [0,1,0,1,0,0|1,0,0]=3 20911 B11R1.59 CCC(=O)N1CCC[C@@H]1CO 527a_100000745186_100000210414 [0,1,0,1,0,0|1,0,0]=3 20912 B11R1.59 CCC(C)N1CCCC1CC 2230a_100000754278_100000758301 [0,1,0,1,0,0|1,0,1]=4 20913 B11R1.59 CCC(C)N1CCCC1CC 269982a_100000754278_100000758301 [0,1,0,1,0,0|1,0,1]=4 20914 B11R1.59 CCC(C)N1CCCC1CC 34a_100000754278_100011215416 [0,1,0,1,0,0|1,0,1]=4 20915 B11R1.59 CCC1CCCN1C(=O)CO 240690a_100000754278_100000210174 [0,1,0,1,0,0|1,0,0]=3 20916 B11R1.59 CCC1CCCN1C(=O)CO 527a_100000754278_100000210174 [0,1,0,1,0,0|1,0,0]=3 20917 B11R1.59 CCC1CCCN1C(=O)NC 2708a_100102657272_100000754278 [0,1,0,1,0,0|1,0,0]=3 20918 B11R1.59 CCC1CCCN1C(=O)NC 273464a_100102657272_100000754278 [0,1,0,1,0,0|1,0,0]=3 20919 B11R1.59 CCN1CCCC1C(=O)CF 1458a_106256033941_100015361967 [0,1,0,1,0,0|1,0,0]=3 20920 B11R1.59 CCN1CCCC1C(=O)NC 240690a_100102657272_106256033941 [0,1,0,1,0,0|1,0,0]=3 20921 B11R1.59 CCN1CCCC1C(=O)NC 527a_100102657272_106256033941 [0,1,0,1,0,0|1,0,0]=3 20922 B11R1.59 CCN1CCC[C@H]1C(=O)NC 2230a_100015185040_100000210202 [0,1,0,1,0,0|1,0,0]=3 20923 B11R1.59 CCN1CCC[C@H]1C(=O)NC 269982a_100015185040_100000204670 [0,1,0,1,0,0|1,0,0]=3 20924 B11R1.59 CCN1CCC[C@H]1C(=O)NC 34a_100015185040_100000210202 [0,1,0,1,0,0|1,0,0]=3 20925 B11R1.59 CCN1CCC[C@H]1C(=O)OC 2230a_100000752040_100000210202 [0,1,0,1,0,0|1,0,0]=3 20926 B11R1.59 CCN1CCC[C@H]1C(=O)OC 269982a_100000752040_100000204670 [0,1,0,1,0,0|1,0,0]=3 20927 B11R1.59 CCN1CCSC1C(=O)OC 2230a_100015296106_100000210202 [0,1,0,1,0,0|2,0,0]=4 20928 B11R1.59 CCN1CCSC1C(=O)OC 269982a_100015296106_100000204670 [0,1,0,1,0,0|2,0,0]=4 20929 B11R1.59 CCN1CSCC1C(=O)OC 269982a_200000724679_100000204670 [0,1,0,1,0,0|2,0,0]=4 20930 B11R1.59 CNC(=O)N1CCC[C@@H]1CO 2708a_100102657272_100000745186 [0,1,0,1,0,0|2,0,0]=4 20931 B11R1.59 CNC(=O)N1CCC[C@@H]1CO 273464a_100102657272_100000745186 [0,1,0,1,0,0|2,0,0]=4 20932 B11R1.59 CNC(=O)[C@@H]1CCCN1CF 269982a_100015185040_100015361967 [0,1,0,1,0,0|2,0,0]=4 20933 B11R1.59 CNC(=O)[C@@H]1CCCN1CF 34a_100015185040_100015361967 [0,1,0,1,0,0|2,0,0]=4 20934 B11R1.59 COC(=O)C1CCCC1OC 34a_200000081814_200000210301 [0,1,0,1,0,0|1,0,0]=3 20935 B11R1.59 COC(=O)C1CCCC1OC 7a_200000081814_200000210301 [0,1,0,1,0,0|1,0,0]=3 20936 B11R1.59 COC(=O)C1CCCC1O[13CH3] 34a_200000081814_200025704644 [0,1,0,1,0,0|1,0,0]=3 20937 B11R1.59 COC(=O)C1CCCC1O[13CH3] 7a_200000081814_200025704644 [0,1,0,1,0,0|1,0,0]=3 20938 B11R1.59 COC(=O)[C@@H]1CCCN1CF 269982a_100000752040_100015361967 [0,1,0,1,0,0|2,0,0]=4 20939 B11R1.59 O=C(CO)N1CCC[C@@H]1CO 240690a_100000745186_100000210174 [0,1,0,1,0,0|2,0,0]=4 20940 B11R1.59 O=C(CO)N1CCC[C@@H]1CO 527a_100000745186_100000210174 [0,1,0,1,0,0|2,0,0]=4 20941 B11R1.115 CCC(=O)N1CCC1COC 11a_100015195929_100000210414 [0,1,0,1,0,0|1,0,0]=3 20942 B11R1.115 CCC(=O)N1CCC1COC 1626a_100015195929_100000210414 [0,1,0,1,0,0|1,0,0]=3 20943 B11R1.115 CCC(=O)N1CCC1COC 240690a_100015195929_100000210414 [0,1,0,1,0,0|1,0,0]=3 20944 B11R1.115 CCC(=O)N1CCC1COC 527a_100015195929_100000210414 [0,1,0,1,0,0|1,0,0]=3 20945 B11R1.115 CCCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000210303 [0,1,0,1,0,0|1,0,0]=3 20946 B11R1.115 CCCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000210303 [0,1,0,1,0,0|1,0,0]=3 20947 B11R1.115 CNC(=O)N1CCC1COC 2708a_100102657272_100015195929 [0,1,0,1,0,0|2,0,0]=4 20948 B11R1.115 CNC(=O)N1CCC1COC 273464a_100102657272_100015195929 [0,1,0,1,0,0|2,0,0]=4 20949 B11R1.115 COC(=O)[C@@H]1CCN1CCF 2230a_102516456887_100011217306 [0,1,0,1,0,0|2,0,0]=4 20950 B11R1.115 COC(=O)[C@@H]1CCN1CCF 269982a_102516456887_100011217306 [0,1,0,1,0,0|2,0,0]=4 20951 B11R1.115 COC(=O)[C@@H]1CCN1CCO 2230a_102516456887_100000211926 [0,1,0,1,0,0|2,0,0]=4 20952 B11R1.115 COC(=O)[C@@H]1CCN1CCO 269982a_102516456887_100000211926 [0,1,0,1,0,0|2,0,0]=4 20953 B11R1.115 COC(=O)[C@@H]1CCN1CSC 2230a_102516456887_100011218213 [0,1,0,1,0,0|2,0,0]=4 20954 B11R1.115 COC(=O)[C@@H]1CCN1CSC 269982a_102516456887_100011218213 [0,1,0,1,0,0|2,0,0]=4 20955 B11R1.115 COCC1CCN1C(=O)CO 240690a_100015195929_100000210174 [0,1,0,1,0,0|2,0,0]=4 20956 B11R1.115 COCC1CCN1C(=O)CO 527a_100015195929_100000210174 [0,1,0,1,0,0|2,0,0]=4 20957 B11R1.115 COCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000766300 [0,1,0,1,0,0|2,0,0]=4 20958 B11R1.115 COCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000766300 [0,1,0,1,0,0|2,0,0]=4 20959 B11R1.228 CCC(=O)CN1CCCC1=O 1458a_100000189602_100000210202 [0,1,0,1,0,0|1,0,1]=4 20960 B11R1.228 CCC(=O)CN1CCC[C@@H]1C 269982a_100020605311_100000747405 [0,1,0,1,0,0|0,0,0]=2 20961 B11R1.228 CCC(=O)CN1CCC[C@H]1C 269982a_100015189458_100000747405 [0,1,0,1,0,0|0,0,0]=2 20962 B11R1.228 CCC(=O)CN1CCSC1C 269982a_200011216479_100000747405 [0,1,0,1,0,0|1,0,0]=3 20963 B11R1.228 CCC(=O)N[C@H]1CCC[C@@H]1O 11a_100000748460_100000210414 [0,1,0,1,0,0|1,0,0]=3 20964 B11R1.228 CCC(=O)N[C@H]1CCC[C@@H]1O 240690a_100000748460_100000210414 [0,1,0,1,0,0|1,0,0]=3 20965 B11R1.228 CCC(=O)N[C@H]1COC[C@@H]1O 11a_100015191717_100000210414 [0,1,0,1,0,0|2,0,0]=4 20966 B11R1.228 CCC(=O)N[C@H]1COC[C@@H]1O 240690a_100015191717_100000210414 [0,1,0,1,0,0|2,0,0]=4 20967 B11R1.228 CCC(=O)N[C@H]1COC[C@@H]1O 527a_100015191717_100000210414 [0,1,0,1,0,0|2,0,0]=4 20968 B11R1.228 CCC(C)CN1CCC[C@@H]1C 2230a_100020605311_100000748023 [0,1,0,1,0,0|1,0,1]=4 20969 B11R1.228 CCC(C)CN1CCC[C@@H]1C 269982a_100020605311_100000748023 [0,1,0,1,0,0|1,0,1]=4 20970 B11R1.228 CCC(C)CN1CCC[C@@H]1C 270004a_100020605311_100000243153 [0,1,0,1,0,0|1,0,1]=4 20971 B11R1.228 CCC(C)CN1CCC[C@H]1C 2230a_100015189458_100000748023 [0,1,0,1,0,0|1,0,1]=4 20972 B11R1.228 CCC(C)CN1CCC[C@H]1C 269982a_100015189458_100000748023 [0,1,0,1,0,0|1,0,1]=4 20973 B11R1.228 CCC(C)CN1CCC[C@H]1C 270004a_100015189458_100000243153 [0,1,0,1,0,0|1,0,1]=4 20974 B11R1.228 CCC(C)CN1CCC[C@H]1C 34a_100015189458_100000748023 [0,1,0,1,0,0|1,0,1]=4 20975 B11R1.228 CCC(C)NC1CCCC1C 269862a_100000209981_100000752053 [0,1,0,1,0,0|1,0,1]=4 20976 B11R1.228 CCC(C)OC1CCCC1C 34a_100011216460_100011215416 [0,1,0,1,0,0|1,0,1]=4 20977 B11R1.228 CCC(C)OC1CCCC1C 7a_100011216460_100000758301 [0,1,0,1,0,0|1,0,1]=4 20978 B11R1.228 CCC(O)CN1CCC[C@@H]1C 2230a_100020605311_100011218378 [0,1,0,1,0,0|0,0,2]=4 20979 B11R1.228 CCC(O)CN1CCC[C@@H]1C 269982a_100020605311_100011218378 [0,1,0,1,0,0|0,0,2]=4 20980 B11R1.228 CCC(O)CN1CCC[C@H]1C 2230a_100015189458_100011218378 [0,1,0,1,0,0|0,0,2]=4 20981 B11R1.228 CCC(O)CN1CCC[C@H]1C 269982a_100015189458_100011218378 [0,1,0,1,0,0|0,0,2]=4 20982 B11R1.228 CCC(O)CN1CCC[C@H]1C 34a_100015189458_100011218378 [0,1,0,1,0,0|0,0,2]=4 20983 B11R1.228 CC[C@H](C)CN1CCC[C@@H]1C 2230a_100020605311_100009816398 [0,1,0,1,0,0|1,0,1]=4 20984 B11R1.228 CC[C@H](C)CN1CCC[C@@H]1C 269982a_100020605311_100009816398 [0,1,0,1,0,0|1,0,1]=4 20985 B11R1.228 CC[C@H](C)CN1CCC[C@H]1C 2230a_100015189458_100009816398 [0,1,0,1,0,0|1,0,1]=4 20986 B11R1.228 CC[C@H](C)CN1CCC[C@H]1C 269982a_100015189458_100009816398 [0,1,0,1,0,0|1,0,1]=4 20987 B11R1.228 CC[C@H](C)CN1CCC[C@H]1C 34a_100015189458_100009816398 [0,1,0,1,0,0|1,0,1]=4 20988 B11R1.228 CNC(=O)CN1CCC[C@@H]1C 2230a_100020605311_100000183359 [0,1,0,1,0,0|1,0,0]=3 20989 B11R1.228 CNC(=O)CN1CCC[C@@H]1C 269982a_100020605311_100000183359 [0,1,0,1,0,0|1,0,0]=3 20990 B11R1.228 CNC(=O)CN1CCC[C@H]1C 2230a_100015189458_100000183359 [0,1,0,1,0,0|1,0,0]=3 20991 B11R1.228 CNC(=O)CN1CCC[C@H]1C 269982a_100015189458_100000183359 [0,1,0,1,0,0|1,0,0]=3 20992 B11R1.228 CNC(=O)CN1CCC[C@H]1C 34a_100015189458_100000183359 [0,1,0,1,0,0|1,0,0]=3 20993 B11R1.228 CNC(=O)CN1CCSC1C 2230a_200011216479_100000183359 [0,1,0,1,0,0|2,0,0]=4 20994 B11R1.228 CNC(=O)CN1CCSC1C 269982a_200011216479_100000183359 [0,1,0,1,0,0|2,0,0]=4 20995 B11R1.228 CNC(=O)CN1CCSC1C 34a_200011216479_100000183359 [0,1,0,1,0,0|2,0,0]=4 20996 B11R1.228 CNC(=O)N[C@H]1CCC[C@@H]1O 2708a_100102657272_100000748460 [0,1,0,1,0,0|2,0,0]=4 20997 B11R1.228 CNC(=O)N[C@H]1CCC[C@@H]1O 273464a_100000748460_100102657272 [0,1,0,1,0,0|2,0,0]=4 20998 B11R1.228 CNC(=O)N[C@H]1CCC[C@@H]1O 273464a_100102657272_100000748460 [0,1,0,1,0,0|2,0,0]=4 20999 B11R1.228 COC(=O)CN1CCC[C@@H]1C 2230a_100020605311_100000747449 [0,1,0,1,0,0|1,0,0]=3 21000 B11R1.228 COC(=O)CN1CCC[C@@H]1C 269982a_100020605311_100000747449 [0,1,0,1,0,0|1,0,0]=3 21001 B11R1.228 COC(=O)CN1CCC[C@H]1C 2230a_100015189458_100000747449 [0,1,0,1,0,0|1,0,0]=3 21002 B11R1.228 COC(=O)CN1CCC[C@H]1C 269982a_100015189458_100000747449 [0,1,0,1,0,0|1,0,0]=3 21003 B11R1.228 COC(=O)CN1CCC[C@H]1C 34a_100015189458_100000747449 [0,1,0,1,0,0|1,0,0]=3 21004 B11R1.228 COC(=O)CN1CCSC1C 2230a_200011216479_100000747449 [0,1,0,1,0,0|2,0,0]=4 21005 B11R1.228 COC(=O)CN1CCSC1C 269982a_200011216479_100000747449 [0,1,0,1,0,0|2,0,0]=4 21006 B11R1.228 COC(=O)CN1CCSC1C 34a_200011216479_100000747449 [0,1,0,1,0,0|2,0,0]=4 21007 B11R1.228 COC(=O)C[C@H]1CCCN1C 2230a_100025726698_200000210301 [0,1,0,1,0,0|1,0,0]=3 21008 B11R1.228 COC(=O)C[C@H]1CCCN1C 269982a_100025726698_200000210301 [0,1,0,1,0,0|1,0,0]=3 21009 B11R1.228 COC(=O)C[C@H]1CCCN1C 34a_100025726698_200000210301 [0,1,0,1,0,0|1,0,0]=3 21010 B11R1.228 COC(=O)C[C@H]1CCCN1[13CH3] 2230a_100025726698_200025704644 [0,1,0,1,0,0|1,0,0]=3 21011 B11R1.228 COC(=O)C[C@H]1CCCN1[13CH3] 269982a_100025726698_200025704644 [0,1,0,1,0,0|1,0,0]=3 21012 B11R1.228 COC(=O)C[C@H]1CCCN1[13CH3] 34a_100025726698_200025704644 [0,1,0,1,0,0|1,0,0]=3 21013 B11R1.228 O=C(CO)N[C@H]1CCC[C@@H]1O 240690a_100000748460_100000210174 [0,1,0,1,0,0|2,0,0]=4 21014 B11R1.320 CCCCCCNC1(CC1)C 2230a_100000757604_100000210314 [0,1,0,1,0,0|1,0,1]=4 21015 B11R1.320 CCCCCCOC1(CC1)C 7a_100011725673_100000210314 [0,1,0,1,0,0|1,0,1]=4 21016 B11R1.320 CCCCCNCC1(CC1)C 2230a_100000766693_100000210326 [0,1,0,1,0,0|1,0,1]=4 21017 B11R1.320 CCCCCNCC1(CC1)O 2230a_100011936951_100000210326 [0,1,0,1,0,0|0,0,2]=4 21018 B11R1.320 CCCCCOCC1(CC1)C 7a_100000698024_100000210326 [0,1,0,1,0,0|1,0,1]=4 21019 B11R1.320 CCCCCOCC1(CC1)F 34a_200000703853_100000718602 [0,1,0,1,0,0|1,0,1]=4 21020 B11R1.320 CCCCCOCC1(CC1)F 7a_200000703853_100000210326 [0,1,0,1,0,0|1,0,1]=4 21021 B11R1.757 CCCCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000210326 [0,1,0,1,0,0|0,0,2]=4 21022 B11R1.757 CCCCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000210215 [0,1,0,1,0,0|0,0,2]=4 21023 B11R1.759 CCCCCN1CC(C1)CC 2230a_100015205115_100000210326 [0,1,0,1,0,0|1,0,1]=4 21024 B11R1.759 CCCCCN1CC(C1)CC 269982a_100015205115_100000210215 [0,1,0,1,0,0|1,0,1]=4 21025 B11R1.759 CCCCNC1CN(C1)CC 2230a_200015199589_100000210211 [0,1,0,1,0,0|2,0,0]=4 21026 B11R1.852 C#CC(=O)C1CCCCCC1 1458a_100000211873_100011217769 [0,1,0,1,0,0|0,0,2]=4 21027 B11R1.852 C=CC(=O)C1CCCCCC1 1458a_100000185746_100011217769 [0,1,0,1,0,0|0,0,2]=4 21028 B11R1.852 C=CC(=O)N1CCCCCC1 1626a_100000185865_100000185746 [0,1,0,1,0,0|0,0,2]=4 21029 B11R1.852 C=CC(=O)N1CCCCCC1 240690a_100000185865_200121576911 [0,1,0,1,0,0|0,0,2]=4 21030 B11R1.852 CCC(=O)C1CCC=CCC1 1458a_100000048548_100000210202 [0,1,0,1,0,0|0,0,1]=3 21031 B11R1.852 CCC(=O)C1CCCCCC1 1458a_100000210414_100011217769 [0,1,0,1,0,0|0,0,0]=2 21032 B11R1.852 CCC(=O)C1CCCCCC1 1458a_100000749507_100000210202 [0,1,0,1,0,0|0,0,0]=2 21033 B11R1.852 CCC(=O)N1CCCCCC1 11a_100000185865_100000210414 [0,1,0,1,0,0|0,0,0]=2 21034 B11R1.852 CCC(=O)N1CCCCCC1 1626a_100000185865_100000210414 [0,1,0,1,0,0|0,0,0]=2 21035 B11R1.852 CCC(=O)N1CCCCCC1 240690a_100000185865_100000210414 [0,1,0,1,0,0|0,0,0]=2 21036 B11R1.852 CCC(=O)N1CCCCCC1 527a_100000185865_100000210414 [0,1,0,1,0,0|0,0,0]=2 21037 B11R1.852 CCC(=O)N1CCCOCC1 11a_100000685342_100000210414 [0,1,0,1,0,0|1,0,0]=3 21038 B11R1.852 CCC(=O)N1CCCOCC1 1626a_100000685342_100000210414 [0,1,0,1,0,0|1,0,0]=3 21039 B11R1.852 CCC(=O)N1CCCOCC1 240690a_100000685342_100000210414 [0,1,0,1,0,0|1,0,0]=3 21040 B11R1.852 CCC(=O)N1CCCOCC1 527a_100000685342_100000210414 [0,1,0,1,0,0|1,0,0]=3 21041 B11R1.852 CCC(C)N1CCCCCC1 2230a_100000185865_100000758301 [0,1,0,1,0,0|1,0,1]=4 21042 B11R1.852 CCC(C)N1CCCCCC1 269982a_100000185865_100000758301 [0,1,0,1,0,0|1,0,1]=4 21043 B11R1.852 CCC(C)N1CCCCCC1 34a_100000185865_100011215416 [0,1,0,1,0,0|1,0,1]=4 21044 B11R1.852 CCN(C)C1CCCCCC1 2230a_100015185097_100000210202 [0,1,0,1,0,0|2,0,0]=4 21045 B11R1.852 CCN(C)C1CCCCCC1 2230a_114901603759_200000210301 [0,1,0,1,0,0|2,0,0]=4 21046 B11R1.852 CCN(C)C1CCCCCC1 269982a_100000225621_100011217769 [0,1,0,1,0,0|2,0,0]=4 21047 B11R1.852 CCN(C)C1CCCCCC1 269982a_100015185097_100000204670 [0,1,0,1,0,0|2,0,0]=4 21048 B11R1.852 CCN(C)C1CCCCCC1 269982a_114901603759_200000210301 [0,1,0,1,0,0|2,0,0]=4 21049 B11R1.852 CCN(C)C1CCCCCC1 34a_100015185097_100000210202 [0,1,0,1,0,0|2,0,0]=4 21050 B11R1.852 CCN(C)C1CCCCCC1 34a_114901603759_200000210301 [0,1,0,1,0,0|2,0,0]=4 21051 B11R1.852 CCN([13CH3])C1CCCCCC1 2230a_114901603759_200025704644 [0,1,0,1,0,0|2,0,0]=4 21052 B11R1.852 CCN([13CH3])C1CCCCCC1 269982a_114901603759_200025704644 [0,1,0,1,0,0|2,0,0]=4 21053 B11R1.852 CCN([13CH3])C1CCCCCC1 34a_114901603759_200025704644 [0,1,0,1,0,0|2,0,0]=4 21054 B11R1.852 CNC(=O)C1CCC=CCC1 11a_106832991635_100000048548 [0,1,0,1,0,0|1,0,1]=4 21055 B11R1.852 CNC(=O)C1CCC=CCC1 1626a_100102657272_100000048548 [0,1,0,1,0,0|1,0,1]=4 21056 B11R1.852 CNC(=O)C1CCC=CCC1 240690a_100102657272_100000048548 [0,1,0,1,0,0|1,0,1]=4 21057 B11R1.852 CNC(=O)C1CCC=CCC1 527a_100102657272_100000048548 [0,1,0,1,0,0|1,0,1]=4 21058 B11R1.852 CNC(=O)C1CCCCCC1 11a_106832991635_100000749507 [0,1,0,1,0,0|1,0,0]=3 21059 B11R1.852 CNC(=O)C1CCCCCC1 1626a_100102657272_100000749507 [0,1,0,1,0,0|1,0,0]=3 21060 B11R1.852 CNC(=O)C1CCCCCC1 240690a_100102657272_100000749507 [0,1,0,1,0,0|1,0,0]=3 21061 B11R1.852 CNC(=O)C1CCCCCC1 527a_100102657272_100000749507 [0,1,0,1,0,0|1,0,0]=3 21062 B11R1.852 CNC(=O)N1CCCCCC1 2708a_100102657272_100000185865 [0,1,0,1,0,0|1,0,0]=3 21063 B11R1.852 CNC(=O)N1CCCCCC1 273464a_100102657272_100000185865 [0,1,0,1,0,0|1,0,0]=3 21064 B11R1.852 CNC(=O)N1CCCOCC1 2708a_100102657272_100000685342 [0,1,0,1,0,0|2,0,0]=4 21065 B11R1.852 CNC(=O)N1CCCOCC1 273464a_100102657272_100000685342 [0,1,0,1,0,0|2,0,0]=4 21066 B11R1.852 O=C(CF)C1CCC=CCC1 1458a_100000048548_100015361967 [0,1,0,1,0,0|1,0,1]=4 21067 B11R1.852 O=C(CF)C1CCCCCC1 1458a_100000749507_100015361967 [0,1,0,1,0,0|1,0,0]=3 21068 B11R1.852 O=C(CO)C1CCCCCC1 1458a_100000210174_100011217769 [0,1,0,1,0,0|1,0,0]=3 21069 B11R1.852 O=C(CO)N1CCCCCC1 240690a_100000185865_100000210174 [0,1,0,1,0,0|1,0,0]=3 21070 B11R1.852 O=C(CO)N1CCCCCC1 527a_100000185865_100000210174 [0,1,0,1,0,0|1,0,0]=3 21071 B11R1.852 O=C(CO)N1CCCOCC1 240690a_100000685342_100000210174 [0,1,0,1,0,0|2,0,0]=4 21072 B11R1.852 O=C(CO)N1CCCOCC1 527a_100000685342_100000210174 [0,1,0,1,0,0|2,0,0]=4 21073 B11R1.35 C=C(C)C(=O)CC1CCCC1 1458a_100000185857_100000740388 [0,1,0,1,0,0|0,0,1]=3 21074 B11R1.35 C=C(C)C(=O)CC1CCCO1 1458a_100000185857_100000203698 [0,1,0,1,0,0|1,0,1]=4 21075 B11R1.35 C=C(C)C(=O)CC1CCOC1 1458a_100000185857_100000702531 [0,1,0,1,0,0|1,0,1]=4 21076 B11R1.35 C=C(C)C(=O)NC1CCCC1 11a_100000211070_100000185857 [0,1,0,1,0,0|1,0,1]=4 21077 B11R1.35 C=C(C)C(=O)NC1CCCC1 1626a_100000211070_100000185857 [0,1,0,1,0,0|1,0,1]=4 21078 B11R1.35 CC(=O)C(=O)CN1CCCC1 269982a_100000188435_100011261029 [0,1,0,1,0,0|1,0,1]=4 21079 B11R1.35 CC(C)C(=O)C=C1CCCC1 1458a_100000743260_100000210206 [0,1,0,1,0,0|0,0,2]=4 21080 B11R1.35 CC(C)C(=O)CC1=CCCC1 1458a_100000050221_100000210206 [0,1,0,1,0,0|0,0,2]=4 21081 B11R1.35 CC(C)C(=O)CC1C=CCC1 1458a_100000212241_100000210206 [0,1,0,1,0,0|0,0,2]=4 21082 B11R1.35 CC(C)C(=O)CC1CC=CC1 1458a_200000137526_100000210206 [0,1,0,1,0,0|0,0,2]=4 21083 B11R1.35 CC(C)C(=O)CC1CCCC1 1458a_100000210198_100000740388 [0,1,0,1,0,0|0,0,0]=2 21084 B11R1.35 CC(C)C(=O)CC1CCCC1 1458a_100000210891_100000210206 [0,1,0,1,0,0|0,0,0]=2 21085 B11R1.35 CC(C)C(=O)CC1CCCO1 1458a_100000210198_100000203698 [0,1,0,1,0,0|1,0,0]=3 21086 B11R1.35 CC(C)C(=O)CC1CCOC1 1458a_100000210198_100000702531 [0,1,0,1,0,0|1,0,0]=3 21087 B11R1.35 CC(C)C(=O)CC1CCOC1 1458a_100011218419_100000210206 [0,1,0,1,0,0|1,0,0]=3 21088 B11R1.35 CC(C)C(=O)CC1OCCO1 1458a_100000210198_100000755774 [0,1,0,1,0,0|2,0,0]=4 21089 B11R1.35 CC(C)C(=O)CN1CCCC1 1458a_100000740243_100000210206 [0,1,0,1,0,0|1,0,0]=3 21090 B11R1.35 CC(C)C(=O)CN1CCCC1 2230a_100000188435_100000753385 [0,1,0,1,0,0|1,0,0]=3 21091 B11R1.35 CC(C)C(=O)CN1CCCC1 269982a_100000188435_100000753385 [0,1,0,1,0,0|1,0,0]=3 21092 B11R1.35 CC(C)C(=O)CN1CCSC1 2230a_100011215254_100000753385 [0,1,0,1,0,0|2,0,0]=4 21093 B11R1.35 CC(C)C(=O)CN1CCSC1 269982a_100011215254_100000753385 [0,1,0,1,0,0|2,0,0]=4 21094 B11R1.35 CC(C)C(=O)NC1CCCC1 11a_100000211070_100000210198 [0,1,0,1,0,0|1,0,0]=3 21095 B11R1.35 CC(C)C(=O)NC1CCCC1 1626a_100000211070_100000210198 [0,1,0,1,0,0|1,0,0]=3 21096 B11R1.35 CC(C)C(=O)NC1CCCC1 240690a_100000211070_100000210198 [0,1,0,1,0,0|1,0,0]=3 21097 B11R1.35 CC(C)C(=O)NC1CCCC1 527a_100000211070_100000210198 [0,1,0,1,0,0|1,0,0]=3 21098 B11R1.35 CC(C)C(=O)N[C@@H]1CCOC1 240690a_200015188469_100000210198 [0,1,0,1,0,0|2,0,0]=4 21099 B11R1.35 CC(C)C(=O)N[C@@H]1CCOC1 527a_200015188469_100000210198 [0,1,0,1,0,0|2,0,0]=4 21100 B11R1.35 CC(C)C(=O)N[C@H]1CCOC1 11a_100015188467_100000210198 [0,1,0,1,0,0|2,0,0]=4 21101 B11R1.35 CC(C)C(=O)N[C@H]1CCOC1 1626a_100015188467_100000210198 [0,1,0,1,0,0|2,0,0]=4 21102 B11R1.35 CC(C)C(=O)N[C@H]1CCOC1 240690a_100015188467_100000210198 [0,1,0,1,0,0|2,0,0]=4 21103 B11R1.35 CC(C)C(=O)N[C@H]1CCOC1 527a_100015188467_100000210198 [0,1,0,1,0,0|2,0,0]=4 21104 B11R1.35 CC(C)N(C)CC1CCCC1 269982a_200000211004_100000740388 [0,1,0,1,0,0|2,0,0]=4 21105 B11R1.35 CC(F)C(=O)CC1CCCC1 1458a_100000062450_100000740388 [0,1,0,1,0,0|0,0,0]=2 21106 B11R1.35 CC(F)C(=O)CC1CCCO1 1458a_100000062450_100000203698 [0,1,0,1,0,0|1,0,0]=3 21107 B11R1.35 CC(F)C(=O)CC1CCOC1 1458a_100000062450_100000702531 [0,1,0,1,0,0|1,0,0]=3 21108 B11R1.35 CC(F)C(=O)CC1OCCO1 1458a_100000062450_100000755774 [0,1,0,1,0,0|2,0,0]=4 21109 B11R1.35 CC(F)C(=O)NC1CCCC1 11a_100000211070_100000062450 [0,1,0,1,0,0|1,0,0]=3 21110 B11R1.35 CC(F)C(=O)NC1CCCC1 1626a_100000211070_100000062450 [0,1,0,1,0,0|1,0,0]=3 21111 B11R1.35 CC(F)C(=O)NC1CCCC1 240690a_100000211070_100000062450 [0,1,0,1,0,0|1,0,0]=3 21112 B11R1.35 CC(F)C(=O)NC1CCCC1 527a_100000211070_100000062450 [0,1,0,1,0,0|1,0,0]=3 21113 B11R1.35 CC(F)C(=O)N[C@@H]1CCOC1 240690a_200015188469_100000062450 [0,1,0,1,0,0|2,0,0]=4 21114 B11R1.35 CC(F)C(=O)N[C@@H]1CCOC1 527a_200015188469_100000062450 [0,1,0,1,0,0|2,0,0]=4 21115 B11R1.35 CC(F)C(=O)N[C@H]1CCOC1 11a_100015188467_100000062450 [0,1,0,1,0,0|2,0,0]=4 21116 B11R1.35 CC(F)C(=O)N[C@H]1CCOC1 1626a_100015188467_100000062450 [0,1,0,1,0,0|2,0,0]=4 21117 B11R1.35 CC(F)C(=O)N[C@H]1CCOC1 240690a_100015188467_100000062450 [0,1,0,1,0,0|2,0,0]=4 21118 B11R1.35 CC(F)C(=O)N[C@H]1CCOC1 527a_100015188467_100000062450 [0,1,0,1,0,0|2,0,0]=4 21119 B11R1.35 CN(C)C(=O)CC1CCCC1 11a_100102631434_100000210891 [0,1,0,1,0,0|1,0,0]=3 21120 B11R1.35 CN(C)C(=O)CC1CCCC1 1626a_100102631434_100000210891 [0,1,0,1,0,0|1,0,0]=3 21121 B11R1.35 CN(C)C(=O)CC1CCCC1 240690a_100102631434_100000210891 [0,1,0,1,0,0|1,0,0]=3 21122 B11R1.35 CN(C)C(=O)CC1CCCC1 527a_100102631434_100000210891 [0,1,0,1,0,0|1,0,0]=3 21123 B11R1.35 CN(C)C(=O)CC1CCOC1 11a_100102631434_100011218419 [0,1,0,1,0,0|2,0,0]=4 21124 B11R1.35 CN(C)C(=O)CC1CCOC1 1626a_100102631434_100011218419 [0,1,0,1,0,0|2,0,0]=4 21125 B11R1.35 CN(C)C(=O)CC1CCOC1 240690a_100102631434_100011218419 [0,1,0,1,0,0|2,0,0]=4 21126 B11R1.35 CN(C)C(=O)CC1CCOC1 527a_100102631434_100011218419 [0,1,0,1,0,0|2,0,0]=4 21127 B11R1.35 CN(C)C(=O)CN1CCCC1 2230a_100000188435_100000185267 [0,1,0,1,0,0|2,0,0]=4 21128 B11R1.35 CN(C)C(=O)CN1CCCC1 240690a_100102631434_100000740243 [0,1,0,1,0,0|2,0,0]=4 21129 B11R1.35 CN(C)C(=O)CN1CCCC1 269982a_100000188435_100000185267 [0,1,0,1,0,0|2,0,0]=4 21130 B11R1.35 CN(C)C(=O)CN1CCCC1 527a_100102631434_100000740243 [0,1,0,1,0,0|2,0,0]=4 21131 B11R1.35 CN(C)C(=O)NC1CCCC1 2708a_100000211070_100102631434 [0,1,0,1,0,0|2,0,0]=4 21132 B11R1.35 C[C@@H](O)C(=O)CC1CCCC1 1458a_100000717761_100000740388 [0,1,0,1,0,0|0,0,0]=2 21133 B11R1.35 C[C@@H](O)C(=O)CC1CCCO1 1458a_100000717761_100000203698 [0,1,0,1,0,0|1,0,0]=3 21134 B11R1.35 C[C@@H](O)C(=O)CC1CCOC1 1458a_100000717761_100000702531 [0,1,0,1,0,0|1,0,0]=3 21135 B11R1.35 C[C@@H](O)C(=O)CC1OCCO1 1458a_100000717761_100000755774 [0,1,0,1,0,0|2,0,0]=4 21136 B11R1.35 C[C@@H](O)C(=O)NC1CCCC1 240690a_100000211070_100000717761 [0,1,0,1,0,0|1,0,0]=3 21137 B11R1.35 C[C@@H](O)C(=O)N[C@@H]1CCOC1 240690a_200015188469_100000717761 [0,1,0,1,0,0|2,0,0]=4 21138 B11R1.35 C[C@@H](O)C(=O)N[C@H]1CCOC1 240690a_100015188467_100000717761 [0,1,0,1,0,0|2,0,0]=4 21139 B11R1.35 C[C@H](O)C(=O)CC1CCCC1 1458a_217856618621_100000740388 [0,1,0,1,0,0|0,0,0]=2 21140 B11R1.35 C[C@H](O)C(=O)CC1CCCO1 1458a_217856618621_100000203698 [0,1,0,1,0,0|1,0,0]=3 21141 B11R1.35 C[C@H](O)C(=O)CC1CCOC1 1458a_217856618621_100000702531 [0,1,0,1,0,0|1,0,0]=3 21142 B11R1.35 C[C@H](O)C(=O)CC1OCCO1 1458a_217856618621_100000755774 [0,1,0,1,0,0|2,0,0]=4 21143 B11R1.35 C[C@H](O)C(=O)NC1CCCC1 1626a_100000211070_217856618621 [0,1,0,1,0,0|1,0,0]=3 21144 B11R1.35 C[C@H](O)C(=O)NC1CCCC1 240690a_100000211070_217856618621 [0,1,0,1,0,0|1,0,0]=3 21145 B11R1.35 C[C@H](O)C(=O)N[C@@H]1CCOC1 240690a_200015188469_217856618621 [0,1,0,1,0,0|2,0,0]=4 21146 B11R1.35 C[C@H](O)C(=O)N[C@H]1CCOC1 1626a_100015188467_217856618621 [0,1,0,1,0,0|2,0,0]=4 21147 B11R1.35 C[C@H](O)C(=O)N[C@H]1CCOC1 240690a_100015188467_217856618621 [0,1,0,1,0,0|2,0,0]=4 21148 B11R1.35 O=C(CC1CCCC1)C(O)O 1458a_100000233687_100000740388 [0,1,0,1,0,0|1,0,0]=3 21149 B11R1.35 O=C(CC1CCCO1)C(O)O 1458a_100000233687_100000203698 [0,1,0,1,0,0|2,0,0]=4 21150 B11R1.35 O=C(CC1CCOC1)C(O)O 1458a_100000233687_100000702531 [0,1,0,1,0,0|2,0,0]=4 21151 B11R1.35 O=C(NC1CCCC1)C(F)F 11a_100000211070_100000210393 [0,1,0,1,0,0|2,0,0]=4 21152 B11R1.35 O=C(NC1CCCC1)C(F)F 1626a_100000211070_100000210393 [0,1,0,1,0,0|2,0,0]=4 21153 B11R1.35 O=C(NC1CCCC1)C(F)F 240690a_100000211070_100000210393 [0,1,0,1,0,0|2,0,0]=4 21154 B11R1.35 O=C(NC1CCCC1)C(F)F 527a_100000211070_100000210393 [0,1,0,1,0,0|2,0,0]=4 21155 B11R1.35 O=C(NC1CCCC1)C(O)O 240690a_100000211070_100000233687 [0,1,0,1,0,0|2,0,0]=4 21156 B11R1.36 C=C(C)C(=O)C1CCCCC1 1458a_100000185857_100000210327 [0,1,0,1,0,0|0,0,1]=3 21157 B11R1.36 C=C(C)C(=O)C1CCCOC1 1458a_100000185857_100000693364 [0,1,0,1,0,0|1,0,1]=4 21158 B11R1.36 C=C(C)C(=O)C1CCOCC1 1458a_100000185857_100011324220 [0,1,0,1,0,0|1,0,1]=4 21159 B11R1.36 CC(=O)C(=O)N1CCCCC1 1458a_200011297168_200000210301 [0,1,0,1,0,0|1,0,1]=4 21160 B11R1.36 CC(C)C(=O)C1=CCCCC1 1458a_100000765259_100000210206 [0,1,0,1,0,0|0,0,2]=4 21161 B11R1.36 CC(C)C(=O)C1C=CCCC1 1458a_100000210198_100000751183 [0,1,0,1,0,0|0,0,2]=4 21162 B11R1.36 CC(C)C(=O)C1CCCCC1 1458a_100000210198_100000210327 [0,1,0,1,0,0|0,0,0]=2 21163 B11R1.36 CC(C)C(=O)C1CCCCC1 1458a_100000210647_100000210206 [0,1,0,1,0,0|0,0,0]=2 21164 B11R1.36 CC(C)C(=O)C1CCCCO1 1458a_100000748299_100000210206 [0,1,0,1,0,0|1,0,0]=3 21165 B11R1.36 CC(C)C(=O)C1CCCOC1 1458a_100000210198_100000693364 [0,1,0,1,0,0|1,0,0]=3 21166 B11R1.36 CC(C)C(=O)C1CCCOC1 1458a_100000741522_100000210206 [0,1,0,1,0,0|1,0,0]=3 21167 B11R1.36 CC(C)C(=O)C1CCOCC1 1458a_100000195482_100000210206 [0,1,0,1,0,0|1,0,0]=3 21168 B11R1.36 CC(C)C(=O)C1CCOCC1 1458a_100000210198_100011324220 [0,1,0,1,0,0|1,0,0]=3 21169 B11R1.36 CC(C)C(=O)C1CCSCC1 1458a_100000755232_100000210206 [0,1,0,1,0,0|1,0,0]=3 21170 B11R1.36 CC(C)C(=O)C1COCCO1 1458a_100000045528_100000210206 [0,1,0,1,0,0|2,0,0]=4 21171 B11R1.36 CC(C)C(=O)C1SCCCS1 1458a_100000028545_100000210206 [0,1,0,1,0,0|2,0,0]=4 21172 B11R1.36 CC(C)C(=O)N1CCCOC1 11a_100000131196_100000210198 [0,1,0,1,0,0|2,0,0]=4 21173 B11R1.36 CC(C)C(=O)N1CCCOC1 240690a_100000131196_100000210198 [0,1,0,1,0,0|2,0,0]=4 21174 B11R1.36 CC(C)C(=O)N1CCOCC1 11a_100015191051_100000210198 [0,1,0,1,0,0|2,0,0]=4 21175 B11R1.36 CC(C)C(=O)N1CCOCC1 1626a_100015191051_100000210198 [0,1,0,1,0,0|2,0,0]=4 21176 B11R1.36 CC(C)C(=O)N1CCOCC1 240690a_100015191051_100000210198 [0,1,0,1,0,0|2,0,0]=4 21177 B11R1.36 CC(C)C(=O)N1CCOCC1 527a_100015191051_100000210198 [0,1,0,1,0,0|2,0,0]=4 21178 B11R1.36 CC(C)C(=O)N1CCSCC1 11a_100000737611_100000210198 [0,1,0,1,0,0|2,0,0]=4 21179 B11R1.36 CC(C)C(=O)N1CCSCC1 240690a_100000737611_100000210198 [0,1,0,1,0,0|2,0,0]=4 21180 B11R1.36 CC(C)C(=O)N1CCSCC1 527a_100000737611_100000210198 [0,1,0,1,0,0|2,0,0]=4 21181 B11R1.36 CC(C)C(=O)[C@H]1CC=CCC1 1458a_100009820709_100000210206 [0,1,0,1,0,0|0,0,2]=4 21182 B11R1.36 CC(C)N(C)C1CCCCC1 2230a_100000207522_100000210206 [0,1,0,1,0,0|2,0,0]=4 21183 B11R1.36 CC(C)N(C)C1CCCCC1 2230a_100025770988_200000210301 [0,1,0,1,0,0|2,0,0]=4 21184 B11R1.36 CC(C)N(C)C1CCCCC1 269982a_100000207522_100000210206 [0,1,0,1,0,0|2,0,0]=4 21185 B11R1.36 CC(C)N(C)C1CCCCC1 269982a_100025770988_200000210301 [0,1,0,1,0,0|2,0,0]=4 21186 B11R1.36 CC(C)N(C)C1CCCCC1 269982a_200000211004_100000210327 [0,1,0,1,0,0|2,0,0]=4 21187 B11R1.36 CC(C)N(C)C1CCCCC1 270004a_200000211004_100000210434 [0,1,0,1,0,0|2,0,0]=4 21188 B11R1.36 CC(C)N(C)C1CCCCC1 34a_100000207522_100000210206 [0,1,0,1,0,0|2,0,0]=4 21189 B11R1.36 CC(C)N(C)C1CCCCC1 34a_100025770988_200000210301 [0,1,0,1,0,0|2,0,0]=4 21190 B11R1.36 CC(C)N([13CH3])C1CCCCC1 2230a_100025770988_200025704644 [0,1,0,1,0,0|2,0,0]=4 21191 B11R1.36 CC(C)N([13CH3])C1CCCCC1 269982a_100025770988_200025704644 [0,1,0,1,0,0|2,0,0]=4 21192 B11R1.36 CC(C)N([13CH3])C1CCCCC1 34a_100025770988_200025704644 [0,1,0,1,0,0|2,0,0]=4 21193 B11R1.36 CC(F)C(=O)C1C=CCCC1 1458a_100000062450_100000751183 [0,1,0,1,0,0|0,0,2]=4 21194 B11R1.36 CC(F)C(=O)C1CCCCC1 1458a_100000062450_100000210327 [0,1,0,1,0,0|0,0,0]=2 21195 B11R1.36 CC(F)C(=O)C1CCCOC1 1458a_100000062450_100000693364 [0,1,0,1,0,0|1,0,0]=3 21196 B11R1.36 CC(F)C(=O)C1CCOCC1 1458a_100000062450_100011324220 [0,1,0,1,0,0|1,0,0]=3 21197 B11R1.36 CC(F)C(=O)N1CCCOC1 11a_100000131196_100000062450 [0,1,0,1,0,0|2,0,0]=4 21198 B11R1.36 CC(F)C(=O)N1CCCOC1 240690a_100000131196_100000062450 [0,1,0,1,0,0|2,0,0]=4 21199 B11R1.36 CC(F)C(=O)N1CCOCC1 11a_100015191051_100000062450 [0,1,0,1,0,0|2,0,0]=4 21200 B11R1.36 CC(F)C(=O)N1CCOCC1 1626a_100015191051_100000062450 [0,1,0,1,0,0|2,0,0]=4 21201 B11R1.36 CC(F)C(=O)N1CCOCC1 240690a_100015191051_100000062450 [0,1,0,1,0,0|2,0,0]=4 21202 B11R1.36 CC(F)C(=O)N1CCOCC1 527a_100015191051_100000062450 [0,1,0,1,0,0|2,0,0]=4 21203 B11R1.36 CC(F)C(=O)N1CCSCC1 11a_100000737611_100000062450 [0,1,0,1,0,0|2,0,0]=4 21204 B11R1.36 CC(F)C(=O)N1CCSCC1 240690a_100000737611_100000062450 [0,1,0,1,0,0|2,0,0]=4 21205 B11R1.36 CC(F)C(=O)N1CCSCC1 527a_100000737611_100000062450 [0,1,0,1,0,0|2,0,0]=4 21206 B11R1.36 CN(C)C(=O)C1CCCCC1 11a_100102631434_100000210647 [0,1,0,1,0,0|1,0,0]=3 21207 B11R1.36 CN(C)C(=O)C1CCCCC1 1626a_100102631434_100000210647 [0,1,0,1,0,0|1,0,0]=3 21208 B11R1.36 CN(C)C(=O)C1CCCCC1 240690a_100102631434_100000210647 [0,1,0,1,0,0|1,0,0]=3 21209 B11R1.36 CN(C)C(=O)C1CCCCC1 527a_100102631434_100000210647 [0,1,0,1,0,0|1,0,0]=3 21210 B11R1.36 CN(C)C(=O)C1CCCCO1 11a_100102631434_100000748299 [0,1,0,1,0,0|2,0,0]=4 21211 B11R1.36 CN(C)C(=O)C1CCCCO1 1626a_100102631434_100000748299 [0,1,0,1,0,0|2,0,0]=4 21212 B11R1.36 CN(C)C(=O)C1CCCCO1 240690a_100102631434_100000748299 [0,1,0,1,0,0|2,0,0]=4 21213 B11R1.36 CN(C)C(=O)C1CCCCO1 527a_100102631434_100000748299 [0,1,0,1,0,0|2,0,0]=4 21214 B11R1.36 CN(C)C(=O)C1CCCOC1 11a_100102631434_100000741522 [0,1,0,1,0,0|2,0,0]=4 21215 B11R1.36 CN(C)C(=O)C1CCCOC1 1626a_100102631434_100000741522 [0,1,0,1,0,0|2,0,0]=4 21216 B11R1.36 CN(C)C(=O)C1CCCOC1 240690a_100102631434_100000741522 [0,1,0,1,0,0|2,0,0]=4 21217 B11R1.36 CN(C)C(=O)C1CCCOC1 527a_100102631434_100000741522 [0,1,0,1,0,0|2,0,0]=4 21218 B11R1.36 CN(C)C(=O)C1CCOCC1 11a_100102631434_100000195482 [0,1,0,1,0,0|2,0,0]=4 21219 B11R1.36 CN(C)C(=O)C1CCOCC1 1626a_100102631434_100000195482 [0,1,0,1,0,0|2,0,0]=4 21220 B11R1.36 CN(C)C(=O)C1CCOCC1 240690a_100102631434_100000195482 [0,1,0,1,0,0|2,0,0]=4 21221 B11R1.36 CN(C)C(=O)C1CCOCC1 527a_100102631434_100000195482 [0,1,0,1,0,0|2,0,0]=4 21222 B11R1.36 CN(C)C(=O)C1CCSCC1 11a_100102631434_100000755232 [0,1,0,1,0,0|2,0,0]=4 21223 B11R1.36 CN(C)C(=O)C1CCSCC1 1626a_100102631434_100000755232 [0,1,0,1,0,0|2,0,0]=4 21224 B11R1.36 CN(C)C(=O)C1CCSCC1 240690a_100102631434_100000755232 [0,1,0,1,0,0|2,0,0]=4 21225 B11R1.36 CN(C)C(=O)C1CCSCC1 527a_100102631434_100000755232 [0,1,0,1,0,0|2,0,0]=4 21226 B11R1.36 C[C@@H](O)C(=O)C1C=CCCC1 1458a_100000717761_100000751183 [0,1,0,1,0,0|0,0,2]=4 21227 B11R1.36 C[C@@H](O)C(=O)C1CCCCC1 1458a_100000717761_100000210327 [0,1,0,1,0,0|0,0,0]=2 21228 B11R1.36 C[C@@H](O)C(=O)C1CCCOC1 1458a_100000717761_100000693364 [0,1,0,1,0,0|1,0,0]=3 21229 B11R1.36 C[C@@H](O)C(=O)C1CCOCC1 1458a_100000717761_100011324220 [0,1,0,1,0,0|1,0,0]=3 21230 B11R1.36 C[C@@H](O)C(=O)N1CCCOC1 240690a_100000131196_100000717761 [0,1,0,1,0,0|2,0,0]=4 21231 B11R1.36 C[C@@H](O)C(=O)N1CCOCC1 240690a_100015191051_100000717761 [0,1,0,1,0,0|2,0,0]=4 21232 B11R1.36 C[C@@H](O)C(=O)N1CCSCC1 240690a_100000737611_100000717761 [0,1,0,1,0,0|2,0,0]=4 21233 B11R1.36 C[C@H](O)C(=O)C1C=CCCC1 1458a_217856618621_100000751183 [0,1,0,1,0,0|0,0,2]=4 21234 B11R1.36 C[C@H](O)C(=O)C1CCCCC1 1458a_217856618621_100000210327 [0,1,0,1,0,0|0,0,0]=2 21235 B11R1.36 C[C@H](O)C(=O)C1CCCOC1 1458a_217856618621_100000693364 [0,1,0,1,0,0|1,0,0]=3 21236 B11R1.36 C[C@H](O)C(=O)C1CCOCC1 1458a_217856618621_100011324220 [0,1,0,1,0,0|1,0,0]=3 21237 B11R1.36 C[C@H](O)C(=O)N1CCCOC1 240690a_100000131196_217856618621 [0,1,0,1,0,0|2,0,0]=4 21238 B11R1.36 C[C@H](O)C(=O)N1CCOCC1 1626a_100015191051_217856618621 [0,1,0,1,0,0|2,0,0]=4 21239 B11R1.36 C[C@H](O)C(=O)N1CCOCC1 240690a_100015191051_217856618621 [0,1,0,1,0,0|2,0,0]=4 21240 B11R1.36 C[C@H](O)C(=O)N1CCSCC1 240690a_100000737611_217856618621 [0,1,0,1,0,0|2,0,0]=4 21241 B11R1.36 O=C(C(O)O)C1CCCCC1 1458a_100000233687_100000210327 [0,1,0,1,0,0|1,0,0]=3 21242 B11R1.36 O=C(C(O)O)C1CCCOC1 1458a_100000233687_100000693364 [0,1,0,1,0,0|2,0,0]=4 21243 B11R1.36 O=C(C(O)O)C1CCOCC1 1458a_100000233687_100011324220 [0,1,0,1,0,0|2,0,0]=4 21244 B11R1.36 [13CH3]C(=O)C(=O)N1CCCCC1 1458a_200011297168_200025704644 [0,1,0,1,0,0|1,0,1]=4 21245 B11R1.89 C=C(C)C(=O)N1CCC[C@H]1C 11a_100015189458_100000185857 [0,1,0,1,0,0|1,0,1]=4 21246 B11R1.89 CC(C)C(=O)C1CCCC1=O 1458a_100000210198_100000211823 [0,1,0,1,0,0|1,0,1]=4 21247 B11R1.89 CC(C)C(=O)C1CCCC1C 1458a_100000690547_100000210206 [0,1,0,1,0,0|0,0,0]=2 21248 B11R1.89 CC(C)C(=O)N1CCC[C@@H]1C 240690a_100020605311_100000210198 [0,1,0,1,0,0|1,0,0]=3 21249 B11R1.89 CC(C)C(=O)N1CCC[C@@H]1C 527a_100020605311_100000210198 [0,1,0,1,0,0|1,0,0]=3 21250 B11R1.89 CC(C)C(=O)N1CCC[C@H]1C 11a_100015189458_100000210198 [0,1,0,1,0,0|1,0,0]=3 21251 B11R1.89 CC(C)C(=O)N1CCC[C@H]1C 240690a_100015189458_100000210198 [0,1,0,1,0,0|1,0,0]=3 21252 B11R1.89 CC(C)C(=O)N1CCC[C@H]1C 527a_100015189458_100000210198 [0,1,0,1,0,0|1,0,0]=3 21253 B11R1.89 CC(C)C(=O)N1CCSC1C 11a_200011216479_100000210198 [0,1,0,1,0,0|2,0,0]=4 21254 B11R1.89 CC(C)C(=O)N1CCSC1C 1626a_200011216479_100000210198 [0,1,0,1,0,0|2,0,0]=4 21255 B11R1.89 CC(C)C(=O)N1CCSC1C 240690a_200011216479_100000210198 [0,1,0,1,0,0|2,0,0]=4 21256 B11R1.89 CC(C)C(=O)N1CCSC1C 527a_200011216479_100000210198 [0,1,0,1,0,0|2,0,0]=4 21257 B11R1.89 CC(C)C(=O)[C@@H]1CCCN1C 1458a_100009816429_100000210206 [0,1,0,1,0,0|1,0,0]=3 21258 B11R1.89 CC(F)C(=O)C1CCCC1=O 1458a_100000062450_100000211823 [0,1,0,1,0,0|1,0,1]=4 21259 B11R1.89 CC(F)C(=O)N1CCC[C@@H]1C 240690a_100020605311_100000062450 [0,1,0,1,0,0|1,0,0]=3 21260 B11R1.89 CC(F)C(=O)N1CCC[C@@H]1C 527a_100020605311_100000062450 [0,1,0,1,0,0|1,0,0]=3 21261 B11R1.89 CC(F)C(=O)N1CCC[C@H]1C 11a_100015189458_100000062450 [0,1,0,1,0,0|1,0,0]=3 21262 B11R1.89 CC(F)C(=O)N1CCC[C@H]1C 240690a_100015189458_100000062450 [0,1,0,1,0,0|1,0,0]=3 21263 B11R1.89 CC(F)C(=O)N1CCC[C@H]1C 527a_100015189458_100000062450 [0,1,0,1,0,0|1,0,0]=3 21264 B11R1.89 CC(F)C(=O)N1CCSC1C 11a_200011216479_100000062450 [0,1,0,1,0,0|2,0,0]=4 21265 B11R1.89 CC(F)C(=O)N1CCSC1C 1626a_200011216479_100000062450 [0,1,0,1,0,0|2,0,0]=4 21266 B11R1.89 CC(F)C(=O)N1CCSC1C 240690a_200011216479_100000062450 [0,1,0,1,0,0|2,0,0]=4 21267 B11R1.89 CC(F)C(=O)N1CCSC1C 527a_200011216479_100000062450 [0,1,0,1,0,0|2,0,0]=4 21268 B11R1.89 CC1CCCC1C(=O)N(C)C 11a_100102631434_100000690547 [0,1,0,1,0,0|1,0,0]=3 21269 B11R1.89 CC1CCCC1C(=O)N(C)C 1626a_100102631434_100000690547 [0,1,0,1,0,0|1,0,0]=3 21270 B11R1.89 CC1CCCC1C(=O)N(C)C 240690a_100102631434_100000690547 [0,1,0,1,0,0|1,0,0]=3 21271 B11R1.89 CC1CCCC1C(=O)N(C)C 527a_100102631434_100000690547 [0,1,0,1,0,0|1,0,0]=3 21272 B11R1.89 CC1SCCN1C(=O)[C@@H](C)O 240690a_200011216479_100000717761 [0,1,0,1,0,0|2,0,0]=4 21273 B11R1.89 CC1SCCN1C(=O)[C@H](C)O 1626a_200011216479_217856618621 [0,1,0,1,0,0|2,0,0]=4 21274 B11R1.89 CC1SCCN1C(=O)[C@H](C)O 240690a_200011216479_217856618621 [0,1,0,1,0,0|2,0,0]=4 21275 B11R1.89 CN(C)C(=O)[C@@H]1CCCN1C 11a_100102631434_100009816429 [0,1,0,1,0,0|2,0,0]=4 21276 B11R1.89 CN(C)C(=O)[C@@H]1CCCN1C 2230a_100020603401_200000210301 [0,1,0,1,0,0|2,0,0]=4 21277 B11R1.89 CN(C)C(=O)[C@@H]1CCCN1C 240690a_100102631434_100009816429 [0,1,0,1,0,0|2,0,0]=4 21278 B11R1.89 CN(C)C(=O)[C@@H]1CCCN1C 34a_100020603401_200000210301 [0,1,0,1,0,0|2,0,0]=4 21279 B11R1.89 CN(C)C(=O)[C@@H]1CCCN1C 527a_100102631434_100009816429 [0,1,0,1,0,0|2,0,0]=4 21280 B11R1.89 CN(C)C(=O)[C@@H]1CCCN1[13CH3] 2230a_100020603401_200025704644 [0,1,0,1,0,0|2,0,0]=4 21281 B11R1.89 CN(C)C(=O)[C@@H]1CCCN1[13CH3] 34a_100020603401_200025704644 [0,1,0,1,0,0|2,0,0]=4 21282 B11R1.89 C[C@@H](O)C(=O)C1CCCC1=O 1458a_100000717761_100000211823 [0,1,0,1,0,0|1,0,1]=4 21283 B11R1.89 C[C@@H](O)C(=O)N1CCC[C@@H]1C 240690a_100020605311_100000717761 [0,1,0,1,0,0|1,0,0]=3 21284 B11R1.89 C[C@@H]1CCCN1C(=O)C(F)F 11a_100015189458_100000210393 [0,1,0,1,0,0|2,0,0]=4 21285 B11R1.89 C[C@@H]1CCCN1C(=O)C(F)F 240690a_100015189458_100000210393 [0,1,0,1,0,0|2,0,0]=4 21286 B11R1.89 C[C@@H]1CCCN1C(=O)C(F)F 527a_100015189458_100000210393 [0,1,0,1,0,0|2,0,0]=4 21287 B11R1.89 C[C@@H]1CCCN1C(=O)C(O)O 240690a_100015189458_100000233687 [0,1,0,1,0,0|2,0,0]=4 21288 B11R1.89 C[C@@H]1CCCN1C(=O)[C@@H](C)O 240690a_100015189458_100000717761 [0,1,0,1,0,0|1,0,0]=3 21289 B11R1.89 C[C@H](O)C(=O)C1CCCC1=O 1458a_217856618621_100000211823 [0,1,0,1,0,0|1,0,1]=4 21290 B11R1.89 C[C@H](O)C(=O)N1CCC[C@@H]1C 240690a_100020605311_217856618621 [0,1,0,1,0,0|1,0,0]=3 21291 B11R1.89 C[C@H](O)C(=O)N1CCC[C@H]1C 240690a_100015189458_217856618621 [0,1,0,1,0,0|1,0,0]=3 21292 B11R1.89 C[C@H]1CCCN1C(=O)C(F)F 240690a_100020605311_100000210393 [0,1,0,1,0,0|2,0,0]=4 21293 B11R1.89 C[C@H]1CCCN1C(=O)C(F)F 527a_100020605311_100000210393 [0,1,0,1,0,0|2,0,0]=4 21294 B11R1.89 C[C@H]1CCCN1C(=O)C(O)O 240690a_100020605311_100000233687 [0,1,0,1,0,0|2,0,0]=4 21295 B11R1.104 CC(C)C(=O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100000753385 [0,1,0,1,0,0|2,0,0]=4 21296 B11R1.104 CC(C)C(=O)CN[C@@H]1C[C@H]1F 2230a_100025746932_100000753385 [0,1,0,1,0,0|2,0,0]=4 21297 B11R1.104 CC(C)C(=O)CN[C@@H]1C[C@H]1F 34a_100025746932_100000753385 [0,1,0,1,0,0|2,0,0]=4 21298 B11R1.142 CC(=O)C(=O)CN1CCC1C 269982a_100000755817_100011261029 [0,1,0,1,0,0|1,0,1]=4 21299 B11R1.142 CC(=O)C(=O)CN1CCC1C 34a_100000755817_100011261029 [0,1,0,1,0,0|1,0,1]=4 21300 B11R1.142 CC(C)C(=O)CN1CCC1C 269982a_100000755817_100000753385 [0,1,0,1,0,0|1,0,0]=3 21301 B11R1.142 CC(C)C(=O)CN1CCC1C 34a_100000755817_100000753385 [0,1,0,1,0,0|1,0,0]=3 21302 B11R1.142 CC1CCN1CC(=O)N(C)C 269982a_100000755817_100000185267 [0,1,0,1,0,0|2,0,0]=4 21303 B11R1.142 CC1CCN1CC(=O)N(C)C 34a_100000755817_100000692301 [0,1,0,1,0,0|2,0,0]=4 21304 B11R1.192 CCNC1CCC(=O)N(C1)C 2230a_100011935005_100000210202 [0,1,0,1,0,0|2,0,0]=4 21305 B11R1.192 CCNC1CCC(=O)N(C1)C 34a_100011935005_100000210202 [0,1,0,1,0,0|2,0,0]=4 21306 B11R1.268 CCN1CCNC(=O)C1(C)C 2230a_100000751695_100000210202 [0,1,0,1,0,0|2,0,0]=4 21307 B11R1.268 CCN1CCNC(=O)C1(C)C 269982a_100000751695_100000204670 [0,1,0,1,0,0|2,0,0]=4 21308 B11R1.268 CCN1CCNC(=O)C1(C)C 34a_100000751695_100000210202 [0,1,0,1,0,0|2,0,0]=4 21309 B11R1.332 C=C(C)C(=O)NCC1CCC1 11a_100000738700_100000185857 [0,1,0,1,0,0|1,0,1]=4 21310 B11R1.332 C=C(C)C(=O)NCC1CCC1 1626a_100000738700_100000185857 [0,1,0,1,0,0|1,0,1]=4 21311 B11R1.332 CC(=O)C(=O)CNC1CCC1 34a_100000749019_100011261029 [0,1,0,1,0,0|1,0,1]=4 21312 B11R1.332 CC(=O)C(=O)COC1CCC1 34a_100000748187_100011261029 [0,1,0,1,0,0|1,0,1]=4 21313 B11R1.332 CC(=O)C(=O)CSC1CCC1 62a_100011261029_100000749161 [0,1,0,1,0,0|1,0,1]=4 21314 B11R1.332 CC(C)C(=O)CNC1CCC1 2230a_100000749019_100000753385 [0,1,0,1,0,0|1,0,0]=3 21315 B11R1.332 CC(C)C(=O)CNC1CCC1 34a_100000749019_100000753385 [0,1,0,1,0,0|1,0,0]=3 21316 B11R1.332 CC(C)C(=O)CNC1COC1 2230a_100016991112_100000753385 [0,1,0,1,0,0|2,0,0]=4 21317 B11R1.332 CC(C)C(=O)COC1CCC1 34a_100000748187_100000753385 [0,1,0,1,0,0|1,0,0]=3 21318 B11R1.332 CC(C)C(=O)COC1CSC1 7a_100000072292_100000753385 [0,1,0,1,0,0|2,0,0]=4 21319 B11R1.332 CC(C)C(=O)CSC1CCC1 62a_100000753385_100000749161 [0,1,0,1,0,0|1,0,0]=3 21320 B11R1.332 CC(C)C(=O)CSC1COC1 62a_100000753385_100009818527 [0,1,0,1,0,0|2,0,0]=4 21321 B11R1.332 CC(C)C(=O)NCC1CCC1 11a_100000738700_100000210198 [0,1,0,1,0,0|1,0,0]=3 21322 B11R1.332 CC(C)C(=O)NCC1CCC1 1626a_100000738700_100000210198 [0,1,0,1,0,0|1,0,0]=3 21323 B11R1.332 CC(C)C(=O)NCC1CCC1 240690a_100000738700_100000210198 [0,1,0,1,0,0|1,0,0]=3 21324 B11R1.332 CC(C)C(=O)NCC1CCC1 527a_100000738700_100000210198 [0,1,0,1,0,0|1,0,0]=3 21325 B11R1.332 CC(C)C(=O)NCC1COC1 11a_100015281925_100000210198 [0,1,0,1,0,0|2,0,0]=4 21326 B11R1.332 CC(C)C(=O)NCC1COC1 1626a_100015281925_100000210198 [0,1,0,1,0,0|2,0,0]=4 21327 B11R1.332 CC(C)C(=O)NCC1COC1 240690a_100015281925_100000210198 [0,1,0,1,0,0|2,0,0]=4 21328 B11R1.332 CC(C)C(=O)NCC1COC1 527a_100015281925_100000210198 [0,1,0,1,0,0|2,0,0]=4 21329 B11R1.332 CC(C)C(=O)NC[C@@H]1CCO1 11a_100020831831_100000210198 [0,1,0,1,0,0|2,0,0]=4 21330 B11R1.332 CC(C)C(=O)NC[C@@H]1CCO1 1626a_100020831831_100000210198 [0,1,0,1,0,0|2,0,0]=4 21331 B11R1.332 CC(C)C(=O)NC[C@@H]1CCO1 240690a_100020831831_100000210198 [0,1,0,1,0,0|2,0,0]=4 21332 B11R1.332 CC(C)C(=O)NC[C@@H]1CCO1 527a_100020831831_100000210198 [0,1,0,1,0,0|2,0,0]=4 21333 B11R1.332 CC(C)C(=O)NNC1CCC1 22a_100000736358_100000210198 [0,1,0,1,0,0|2,0,0]=4 21334 B11R1.332 CC(F)C(=O)NCC1CCC1 11a_100000738700_100000062450 [0,1,0,1,0,0|1,0,0]=3 21335 B11R1.332 CC(F)C(=O)NCC1CCC1 1626a_100000738700_100000062450 [0,1,0,1,0,0|1,0,0]=3 21336 B11R1.332 CC(F)C(=O)NCC1CCC1 240690a_100000738700_100000062450 [0,1,0,1,0,0|1,0,0]=3 21337 B11R1.332 CC(F)C(=O)NCC1CCC1 527a_100000738700_100000062450 [0,1,0,1,0,0|1,0,0]=3 21338 B11R1.332 CC(F)C(=O)NCC1COC1 11a_100015281925_100000062450 [0,1,0,1,0,0|2,0,0]=4 21339 B11R1.332 CC(F)C(=O)NCC1COC1 1626a_100015281925_100000062450 [0,1,0,1,0,0|2,0,0]=4 21340 B11R1.332 CC(F)C(=O)NCC1COC1 240690a_100015281925_100000062450 [0,1,0,1,0,0|2,0,0]=4 21341 B11R1.332 CC(F)C(=O)NCC1COC1 527a_100015281925_100000062450 [0,1,0,1,0,0|2,0,0]=4 21342 B11R1.332 CC(F)C(=O)NC[C@@H]1CCO1 11a_100020831831_100000062450 [0,1,0,1,0,0|2,0,0]=4 21343 B11R1.332 CC(F)C(=O)NC[C@@H]1CCO1 1626a_100020831831_100000062450 [0,1,0,1,0,0|2,0,0]=4 21344 B11R1.332 CC(F)C(=O)NC[C@@H]1CCO1 240690a_100020831831_100000062450 [0,1,0,1,0,0|2,0,0]=4 21345 B11R1.332 CC(F)C(=O)NC[C@@H]1CCO1 527a_100020831831_100000062450 [0,1,0,1,0,0|2,0,0]=4 21346 B11R1.332 CC(F)C(=O)NNC1CCC1 22a_100000736358_100000062450 [0,1,0,1,0,0|2,0,0]=4 21347 B11R1.332 CN(C)C(=O)CCN1CCC1 269982a_100000754969_100000737620 [0,1,0,1,0,0|2,0,0]=4 21348 B11R1.332 CN(C)C(=O)CNC1CCC1 2230a_100000749019_100000185267 [0,1,0,1,0,0|2,0,0]=4 21349 B11R1.332 CN(C)C(=O)CNC1CCC1 270004a_100015183351_100000241760 [0,1,0,1,0,0|2,0,0]=4 21350 B11R1.332 CN(C)C(=O)CNC1CCC1 34a_100000749019_100000692301 [0,1,0,1,0,0|2,0,0]=4 21351 B11R1.332 CN(C)C(=O)COC1CCC1 34a_100000748187_100000692301 [0,1,0,1,0,0|2,0,0]=4 21352 B11R1.332 CN(C)C(=O)CSC1CCC1 62a_100000692301_100000749161 [0,1,0,1,0,0|2,0,0]=4 21353 B11R1.332 CN(C)C(=O)NCC1CCC1 2708a_100000738700_100102631434 [0,1,0,1,0,0|2,0,0]=4 21354 B11R1.332 C[C@@H](O)C(=O)NCC1CCC1 240690a_100000738700_100000717761 [0,1,0,1,0,0|1,0,0]=3 21355 B11R1.332 C[C@@H](O)C(=O)NCC1COC1 240690a_100015281925_100000717761 [0,1,0,1,0,0|2,0,0]=4 21356 B11R1.332 C[C@@H](O)C(=O)NC[C@@H]1CCO1 240690a_100020831831_100000717761 [0,1,0,1,0,0|2,0,0]=4 21357 B11R1.332 C[C@@H](O)C(=O)NNC1CCC1 22a_100000736358_100000717761 [0,1,0,1,0,0|2,0,0]=4 21358 B11R1.332 C[C@H](O)C(=O)NCC1CCC1 1626a_100000738700_217856618621 [0,1,0,1,0,0|1,0,0]=3 21359 B11R1.332 C[C@H](O)C(=O)NCC1CCC1 240690a_100000738700_217856618621 [0,1,0,1,0,0|1,0,0]=3 21360 B11R1.332 C[C@H](O)C(=O)NCC1COC1 1626a_100015281925_217856618621 [0,1,0,1,0,0|2,0,0]=4 21361 B11R1.332 C[C@H](O)C(=O)NCC1COC1 240690a_100015281925_217856618621 [0,1,0,1,0,0|2,0,0]=4 21362 B11R1.332 C[C@H](O)C(=O)NC[C@@H]1CCO1 1626a_100020831831_217856618621 [0,1,0,1,0,0|2,0,0]=4 21363 B11R1.332 C[C@H](O)C(=O)NC[C@@H]1CCO1 240690a_100020831831_217856618621 [0,1,0,1,0,0|2,0,0]=4 21364 B11R1.332 C[C@H](O)C(=O)NNC1CCC1 22a_100000736358_217856618621 [0,1,0,1,0,0|2,0,0]=4 21365 B11R1.332 O=C(NCC1CCC1)C(F)F 11a_100000738700_100000210393 [0,1,0,1,0,0|2,0,0]=4 21366 B11R1.332 O=C(NCC1CCC1)C(F)F 1626a_100000738700_100000210393 [0,1,0,1,0,0|2,0,0]=4 21367 B11R1.332 O=C(NCC1CCC1)C(F)F 240690a_100000738700_100000210393 [0,1,0,1,0,0|2,0,0]=4 21368 B11R1.332 O=C(NCC1CCC1)C(F)F 527a_100000738700_100000210393 [0,1,0,1,0,0|2,0,0]=4 21369 B11R1.332 O=C(NCC1CCC1)C(O)O 240690a_100000738700_100000233687 [0,1,0,1,0,0|2,0,0]=4 21370 B11R1.333 C=C(C)C(=O)CCCC1CO1 1458a_100000185857_100000733510 [0,1,0,1,0,0|1,0,1]=4 21371 B11R1.333 C=C(C)C(=O)NCCC1CC1 1626a_100000764129_100000185857 [0,1,0,1,0,0|1,0,1]=4 21372 B11R1.333 CC(=O)C(=O)CNCC1CC1 34a_100000735609_100011261029 [0,1,0,1,0,0|1,0,1]=4 21373 B11R1.333 CC(=O)C(=O)COCC1CC1 34a_100000211283_100011261029 [0,1,0,1,0,0|1,0,1]=4 21374 B11R1.333 CC(=O)C(=O)CSCC1CC1 62a_100000756562_100011261029 [0,1,0,1,0,0|1,0,1]=4 21375 B11R1.333 CC(=O)C(=O)CSCC1CC1 62a_100011261029_100000742324 [0,1,0,1,0,0|1,0,1]=4 21376 B11R1.333 CC(C)C(=O)CC#CC1CC1 1458a_100000210198_100009895102 [0,1,0,1,0,0|0,0,2]=4 21377 B11R1.333 CC(C)C(=O)CCCC1CO1 1458a_100000210198_100000733510 [0,1,0,1,0,0|1,0,0]=3 21378 B11R1.333 CC(C)C(=O)CNCC1CC1 2230a_100000735609_100000753385 [0,1,0,1,0,0|1,0,0]=3 21379 B11R1.333 CC(C)C(=O)CNCC1CC1 34a_100000735609_100000753385 [0,1,0,1,0,0|1,0,0]=3 21380 B11R1.333 CC(C)C(=O)COCC1CC1 34a_100000211283_100000753385 [0,1,0,1,0,0|1,0,0]=3 21381 B11R1.333 CC(C)C(=O)COC[C@@H]1CO1 34a_100000757423_100000753385 [0,1,0,1,0,0|2,0,0]=4 21382 B11R1.333 CC(C)C(=O)CSCC1CC1 1458a_200011316215_100000210206 [0,1,0,1,0,0|1,0,0]=3 21383 B11R1.333 CC(C)C(=O)CSCC1CC1 62a_100000753385_100000742324 [0,1,0,1,0,0|1,0,0]=3 21384 B11R1.333 CC(C)C(=O)CSCC1CC1 62a_100000756562_100000753385 [0,1,0,1,0,0|1,0,0]=3 21385 B11R1.333 CC(C)C(=O)CSCC1CO1 62a_100000753385_102125554688 [0,1,0,1,0,0|2,0,0]=4 21386 B11R1.333 CC(C)C(=O)CSCC1CO1 62a_102125554688_100000753385 [0,1,0,1,0,0|2,0,0]=4 21387 B11R1.333 CC(C)C(=O)CSCC1CS1 62a_100000031435_100000753385 [0,1,0,1,0,0|2,0,0]=4 21388 B11R1.333 CC(C)C(=O)CSCC1CS1 62a_100000753385_100000031435 [0,1,0,1,0,0|2,0,0]=4 21389 B11R1.333 CC(C)C(=O)CSC[C@@H]1CO1 62a_100000745022_100000753385 [0,1,0,1,0,0|2,0,0]=4 21390 B11R1.333 CC(C)C(=O)CSC[C@@H]1CO1 62a_100000753385_100000745022 [0,1,0,1,0,0|2,0,0]=4 21391 B11R1.333 CC(C)C(=O)NCCC1CC1 1626a_100000764129_100000210198 [0,1,0,1,0,0|1,0,0]=3 21392 B11R1.333 CC(C)C(=O)NCCC1CC1 240690a_100000764129_100000210198 [0,1,0,1,0,0|1,0,0]=3 21393 B11R1.333 CC(C)C(=O)NCCC1CC1 527a_100000764129_100000210198 [0,1,0,1,0,0|1,0,0]=3 21394 B11R1.333 CC(C)C(=O)NNCC1CC1 22a_100000736359_100000210198 [0,1,0,1,0,0|2,0,0]=4 21395 B11R1.333 CC(C)C(=O)OCSC1CC1 62a_100000139345_100000211595 [0,1,0,1,0,0|2,0,0]=4 21396 B11R1.333 CC(F)C(=O)CC#CC1CC1 1458a_100000062450_100009895102 [0,1,0,1,0,0|0,0,2]=4 21397 B11R1.333 CC(F)C(=O)CCCC1CO1 1458a_100000062450_100000733510 [0,1,0,1,0,0|1,0,0]=3 21398 B11R1.333 CC(F)C(=O)NCCC1CC1 1626a_100000764129_100000062450 [0,1,0,1,0,0|1,0,0]=3 21399 B11R1.333 CC(F)C(=O)NCCC1CC1 240690a_100000764129_100000062450 [0,1,0,1,0,0|1,0,0]=3 21400 B11R1.333 CC(F)C(=O)NCCC1CC1 527a_100000764129_100000062450 [0,1,0,1,0,0|1,0,0]=3 21401 B11R1.333 CC(F)C(=O)NNCC1CC1 22a_100000736359_100000062450 [0,1,0,1,0,0|2,0,0]=4 21402 B11R1.333 CN(C)C(=O)CCOC1CC1 34a_200000747469_100000211595 [0,1,0,1,0,0|2,0,0]=4 21403 B11R1.333 CN(C)C(=O)CCSC1CC1 62a_100000737620_100000211595 [0,1,0,1,0,0|2,0,0]=4 21404 B11R1.333 CN(C)C(=O)CNCC1CC1 2230a_100000735609_100000185267 [0,1,0,1,0,0|2,0,0]=4 21405 B11R1.333 CN(C)C(=O)CNCC1CC1 2230a_100015183351_100000742324 [0,1,0,1,0,0|2,0,0]=4 21406 B11R1.333 CN(C)C(=O)CNCC1CC1 34a_100000735609_100000692301 [0,1,0,1,0,0|2,0,0]=4 21407 B11R1.333 CN(C)C(=O)COCC1CC1 34a_100000211283_100000692301 [0,1,0,1,0,0|2,0,0]=4 21408 B11R1.333 CN(C)C(=O)CSCC1CC1 11a_100102631434_200011316215 [0,1,0,1,0,0|2,0,0]=4 21409 B11R1.333 CN(C)C(=O)CSCC1CC1 1626a_100102631434_200011316215 [0,1,0,1,0,0|2,0,0]=4 21410 B11R1.333 CN(C)C(=O)CSCC1CC1 240690a_100102631434_200011316215 [0,1,0,1,0,0|2,0,0]=4 21411 B11R1.333 CN(C)C(=O)CSCC1CC1 527a_100102631434_200011316215 [0,1,0,1,0,0|2,0,0]=4 21412 B11R1.333 CN(C)C(=O)CSCC1CC1 62a_100000692301_100000742324 [0,1,0,1,0,0|2,0,0]=4 21413 B11R1.333 CN(C)C(=O)CSCC1CC1 62a_100000756562_100000692301 [0,1,0,1,0,0|2,0,0]=4 21414 B11R1.333 CN(C)C(=O)NCCC1CC1 2708a_100000764129_100102631434 [0,1,0,1,0,0|2,0,0]=4 21415 B11R1.333 C[C@@H](O)C(=O)CC#CC1CC1 1458a_100000717761_100009895102 [0,1,0,1,0,0|0,0,2]=4 21416 B11R1.333 C[C@@H](O)C(=O)CCCC1CO1 1458a_100000717761_100000733510 [0,1,0,1,0,0|1,0,0]=3 21417 B11R1.333 C[C@@H](O)C(=O)NCCC1CC1 240690a_100000764129_100000717761 [0,1,0,1,0,0|1,0,0]=3 21418 B11R1.333 C[C@@H](O)C(=O)NNCC1CC1 22a_100000736359_100000717761 [0,1,0,1,0,0|2,0,0]=4 21419 B11R1.333 C[C@H](O)C(=O)CC#CC1CC1 1458a_217856618621_100009895102 [0,1,0,1,0,0|0,0,2]=4 21420 B11R1.333 C[C@H](O)C(=O)CCCC1CO1 1458a_217856618621_100000733510 [0,1,0,1,0,0|1,0,0]=3 21421 B11R1.333 C[C@H](O)C(=O)NCCC1CC1 1626a_100000764129_217856618621 [0,1,0,1,0,0|1,0,0]=3 21422 B11R1.333 C[C@H](O)C(=O)NCCC1CC1 240690a_100000764129_217856618621 [0,1,0,1,0,0|1,0,0]=3 21423 B11R1.333 C[C@H](O)C(=O)NNCC1CC1 22a_100000736359_217856618621 [0,1,0,1,0,0|2,0,0]=4 21424 B11R1.333 O=C(CCCC1CO1)C(O)O 1458a_100000233687_100000733510 [0,1,0,1,0,0|2,0,0]=4 21425 B11R1.333 O=C(NCCC1CC1)C(F)F 1626a_100000764129_100000210393 [0,1,0,1,0,0|2,0,0]=4 21426 B11R1.333 O=C(NCCC1CC1)C(F)F 240690a_100000764129_100000210393 [0,1,0,1,0,0|2,0,0]=4 21427 B11R1.333 O=C(NCCC1CC1)C(F)F 527a_100000764129_100000210393 [0,1,0,1,0,0|2,0,0]=4 21428 B11R1.333 O=C(NCCC1CC1)C(O)O 240690a_100000764129_100000233687 [0,1,0,1,0,0|2,0,0]=4 21429 B11R1.706 CC(C)N1CCCCCCC1 2230a_100000211400_100000210206 [0,1,0,1,0,0|2,0,0]=4 21430 B11R1.706 CC(C)N1CCCCCCC1 269982a_100000211400_100000210206 [0,1,0,1,0,0|2,0,0]=4 21431 B11R1.706 CC(C)N1CCCCCCC1 34a_100000211400_100000210206 [0,1,0,1,0,0|2,0,0]=4 21432 B11R1.31 CC(C(=O)CF)N1CCCC1 1458a_100025750167_100015361967 [0,1,0,1,0,0|2,0,0]=4 21433 B11R1.31 CCC(=O)C(C)N1CCCC1 1458a_100025750167_100000210202 [0,1,0,1,0,0|1,0,0]=3 21434 B11R1.31 CCC(=O)C(C)N1CCCC1 2230a_100000188435_100000742827 [0,1,0,1,0,0|1,0,0]=3 21435 B11R1.31 CCC(=O)C(C)N1CCCC1 269982a_100000188435_100000742827 [0,1,0,1,0,0|1,0,0]=3 21436 B11R1.31 CCC(=O)C(C)N1CCSC1 2230a_100011215254_100000742827 [0,1,0,1,0,0|2,0,0]=4 21437 B11R1.31 CCC(=O)C(C)N1CCSC1 269982a_100011215254_100000742827 [0,1,0,1,0,0|2,0,0]=4 21438 B11R1.31 CCC(=O)N(C)C1CCCC1 11a_100000207505_100000210414 [0,1,0,1,0,0|1,0,0]=3 21439 B11R1.31 CCC(=O)N(C)C1CCCC1 1626a_100000207505_100000210414 [0,1,0,1,0,0|1,0,0]=3 21440 B11R1.31 CCC(=O)N(C)C1CCCC1 240690a_100000207505_100000210414 [0,1,0,1,0,0|1,0,0]=3 21441 B11R1.31 CCC(=O)N(C)C1CCCC1 527a_100000207505_100000210414 [0,1,0,1,0,0|1,0,0]=3 21442 B11R1.31 CCC(=O)N(C)C1CCOC1 11a_100016988252_100000210414 [0,1,0,1,0,0|2,0,0]=4 21443 B11R1.31 CCC(=O)N(C)C1CCOC1 1626a_100016988252_100000210414 [0,1,0,1,0,0|2,0,0]=4 21444 B11R1.31 CCC(=O)N(C)C1CCOC1 240690a_100016988252_100000210414 [0,1,0,1,0,0|2,0,0]=4 21445 B11R1.31 CCC(=O)N(C)C1CCOC1 527a_100016988252_100000210414 [0,1,0,1,0,0|2,0,0]=4 21446 B11R1.31 CCN(C)C(C)C1CCCC1 2230a_106630658171_100000210202 [0,1,0,1,0,0|2,0,0]=4 21447 B11R1.31 CCN(C)C(C)C1CCCC1 269982a_106630658171_100000204670 [0,1,0,1,0,0|2,0,0]=4 21448 B11R1.31 CCN(C)C(C)C1CCCC1 34a_106630658171_100000210202 [0,1,0,1,0,0|2,0,0]=4 21449 B11R1.31 CN(C(=O)CO)C1CCCC1 240690a_100000207505_100000210174 [0,1,0,1,0,0|2,0,0]=4 21450 B11R1.31 CN(C(=O)CO)C1CCCC1 527a_100000207505_100000210174 [0,1,0,1,0,0|2,0,0]=4 21451 B11R1.31 CNC(=O)C(=O)C1CCCC1 1458a_100011218921_100000179811 [0,1,0,1,0,0|1,0,1]=4 21452 B11R1.31 CNC(=O)C(C)N1CCCC1 2230a_100000188435_100000731044 [0,1,0,1,0,0|2,0,0]=4 21453 B11R1.31 CNC(=O)C(C)N1CCCC1 240690a_100102657272_100025750167 [0,1,0,1,0,0|2,0,0]=4 21454 B11R1.31 CNC(=O)C(C)N1CCCC1 269982a_100000188435_100000209862 [0,1,0,1,0,0|2,0,0]=4 21455 B11R1.31 CNC(=O)C(C)N1CCCC1 527a_100102657272_100025750167 [0,1,0,1,0,0|2,0,0]=4 21456 B11R1.31 CNC(=O)C(F)N1CCCC1 2230a_100000188435_100009813575 [0,1,0,1,0,0|2,0,0]=4 21457 B11R1.31 CNC(=O)C(F)N1CCCC1 269982a_100000188435_100009813575 [0,1,0,1,0,0|2,0,0]=4 21458 B11R1.31 CNC(=O)N(C)C1CCCC1 2708a_100102657272_100000207505 [0,1,0,1,0,0|2,0,0]=4 21459 B11R1.31 CNC(=O)N(C)C1CCCC1 273464a_100102657272_100000207505 [0,1,0,1,0,0|2,0,0]=4 21460 B11R1.31 COC(=O)C(C)N1CCCC1 2230a_100000188435_100000211248 [0,1,0,1,0,0|2,0,0]=4 21461 B11R1.31 COC(=O)C(C)N1CCCC1 269982a_100000188435_100000211248 [0,1,0,1,0,0|2,0,0]=4 21462 B11R1.121 CCC(=O)C1CC(C1)COC 1458a_100000138301_100000210202 [0,1,0,1,0,0|1,0,0]=3 21463 B11R1.121 CCC(=O)N1CC(C1)COC 11a_100016993750_100000210414 [0,1,0,1,0,0|2,0,0]=4 21464 B11R1.121 CCC(=O)N1CC(C1)COC 240690a_100016993750_100000210414 [0,1,0,1,0,0|2,0,0]=4 21465 B11R1.121 CCC(=O)N1CC(C1)COC 527a_100016993750_100000210414 [0,1,0,1,0,0|2,0,0]=4 21466 B11R1.121 CCCN1CC(C1)C(=O)NC 34a_100000703363_100000210303 [0,1,0,1,0,0|2,0,0]=4 21467 B11R1.121 CCCN1CC(C1)C(=O)OC 269982a_100015188540_100000210303 [0,1,0,1,0,0|2,0,0]=4 21468 B11R1.121 CCOC1CC(C1)C(=O)OC 34a_100121572206_100009897219 [0,1,0,1,0,0|2,0,0]=4 21469 B11R1.121 CCOC1CC(C1)C(=O)OC 7a_100000076263_100000210202 [0,1,0,1,0,0|2,0,0]=4 21470 B11R1.121 CCOC1CN(C1)C(=O)CC 11a_100000732654_100000210414 [0,1,0,1,0,0|2,0,0]=4 21471 B11R1.121 CCOC1CN(C1)C(=O)CC 1626a_100000732654_100000210414 [0,1,0,1,0,0|2,0,0]=4 21472 B11R1.121 CCOC1CN(C1)C(=O)CC 240690a_100000732654_100000210414 [0,1,0,1,0,0|2,0,0]=4 21473 B11R1.121 CCOC1CN(C1)C(=O)CC 527a_100000732654_100000210414 [0,1,0,1,0,0|2,0,0]=4 21474 B11R1.121 CCSC1CC(C1)C(=O)OC 62a_100000210202_100009897219 [0,1,0,1,0,0|2,0,0]=4 21475 B11R1.121 CCSC1CC(C1)C(=O)OC 62a_100009897219_100000210202 [0,1,0,1,0,0|2,0,0]=4 21476 B11R1.121 CNC(=O)C1CC(C1)COC 11a_106832991635_100000138301 [0,1,0,1,0,0|2,0,0]=4 21477 B11R1.121 CNC(=O)C1CC(C1)COC 1626a_100102657272_100000138301 [0,1,0,1,0,0|2,0,0]=4 21478 B11R1.121 CNC(=O)C1CC(C1)COC 240690a_100102657272_100000138301 [0,1,0,1,0,0|2,0,0]=4 21479 B11R1.121 CNC(=O)C1CC(C1)COC 527a_100102657272_100000138301 [0,1,0,1,0,0|2,0,0]=4 21480 B11R1.121 COC(=O)C1CC(C1)CO[13CH3] 34a_100009884387_200025704644 [0,1,0,1,0,0|2,0,0]=4 21481 B11R1.121 COC(=O)C1CC(C1)CO[13CH3] 7a_100009884387_200025704644 [0,1,0,1,0,0|2,0,0]=4 21482 B11R1.121 COCC1CC(C1)C(=O)CF 1458a_100000138301_100015361967 [0,1,0,1,0,0|2,0,0]=4 21483 B11R1.121 COCC1CC(C1)C(=O)OC 34a_100009884387_200000210301 [0,1,0,1,0,0|2,0,0]=4 21484 B11R1.121 COCC1CC(C1)C(=O)OC 7a_100009884387_200000210301 [0,1,0,1,0,0|2,0,0]=4 21485 B11R1.278 CCN1CCN(C(=O)C1C)C 2230a_100000708691_100000210202 [0,1,0,1,0,0|2,0,0]=4 21486 B11R1.278 CCN1CCN(C(=O)C1C)C 269982a_100000708691_100000204670 [0,1,0,1,0,0|2,0,0]=4 21487 B11R1.278 CCN1CCN(C(=O)C1C)C 34a_100000708691_100000210202 [0,1,0,1,0,0|2,0,0]=4 21488 B11R1.280 CCC1CCC(N(C1)CC)C 2230a_100011219223_100000210202 [0,1,0,1,0,0|2,0,0]=4 21489 B11R1.280 CCC1CCC(N(C1)CC)C 269982a_100011219223_100000204670 [0,1,0,1,0,0|2,0,0]=4 21490 B11R1.280 CCC1CCC(N(C1)CC)C 34a_100011219223_100000210202 [0,1,0,1,0,0|2,0,0]=4 21491 B11R1.292 CCC(=O)C(C)N[C@@H]1C[C@@H]1F 2230a_100015190264_100000742827 [0,1,0,1,0,0|2,0,0]=4 21492 B11R1.292 CCC(=O)C(C)N[C@@H]1C[C@H]1F 2230a_100025746932_100000742827 [0,1,0,1,0,0|2,0,0]=4 21493 B11R1.293 CCC(=O)C(C)NC1CCC1 2230a_100000749019_100000742827 [0,1,0,1,0,0|1,0,0]=3 21494 B11R1.293 CCC(=O)C(C)NC1COC1 2230a_100016991112_100000742827 [0,1,0,1,0,0|2,0,0]=4 21495 B11R1.293 CCC(=O)C(C)OC1CSC1 7a_100000072292_100000742827 [0,1,0,1,0,0|2,0,0]=4 21496 B11R1.293 CCC(=O)C(C)SC1CCC1 62a_100000742827_100000749161 [0,1,0,1,0,0|1,0,0]=3 21497 B11R1.293 CCC(=O)C(C)SC1COC1 62a_100000742827_100009818527 [0,1,0,1,0,0|2,0,0]=4 21498 B11R1.293 CCC(=O)N(C)CC1CCC1 11a_200000750244_100000210414 [0,1,0,1,0,0|1,0,0]=3 21499 B11R1.293 CCC(=O)N(C)CC1CCC1 1626a_200000750244_100000210414 [0,1,0,1,0,0|1,0,0]=3 21500 B11R1.293 CCC(=O)N(C)CC1CCC1 240690a_200000750244_100000210414 [0,1,0,1,0,0|1,0,0]=3 21501 B11R1.293 CCC(=O)N(C)CC1CCC1 527a_200000750244_100000210414 [0,1,0,1,0,0|1,0,0]=3 21502 B11R1.293 CN(CC1CCC1)C(=O)CO 240690a_200000750244_100000210174 [0,1,0,1,0,0|2,0,0]=4 21503 B11R1.293 CN(CC1CCC1)C(=O)CO 527a_200000750244_100000210174 [0,1,0,1,0,0|2,0,0]=4 21504 B11R1.293 CNC(=O)C(=O)CC1CCC1 1458a_100011218921_100000763275 [0,1,0,1,0,0|1,0,1]=4 21505 B11R1.293 CNC(=O)C(C)NC1CCC1 2230a_100000749019_100000731044 [0,1,0,1,0,0|2,0,0]=4 21506 B11R1.293 CNC(=O)C(C)NC1CCC1 34a_100000749019_100000731044 [0,1,0,1,0,0|2,0,0]=4 21507 B11R1.293 CNC(=O)C(C)OC1CCC1 34a_100000748187_100000731044 [0,1,0,1,0,0|2,0,0]=4 21508 B11R1.293 CNC(=O)C(C)SC1CCC1 62a_100000209862_100000749161 [0,1,0,1,0,0|2,0,0]=4 21509 B11R1.293 CNC(=O)C(F)NC1CCC1 2230a_100000749019_100009813575 [0,1,0,1,0,0|2,0,0]=4 21510 B11R1.293 CNC(=O)C(F)NC1CCC1 34a_100000749019_100009813575 [0,1,0,1,0,0|2,0,0]=4 21511 B11R1.293 CNC(=O)C(F)OC1CCC1 34a_100000748187_100009813575 [0,1,0,1,0,0|2,0,0]=4 21512 B11R1.293 CNC(=O)C(F)SC1CCC1 62a_100009813575_100000749161 [0,1,0,1,0,0|2,0,0]=4 21513 B11R1.293 CNC(=O)N(C)CC1CCC1 2708a_100102657272_200000750244 [0,1,0,1,0,0|2,0,0]=4 21514 B11R1.293 CNC(=O)N(C)CC1CCC1 273464a_100102657272_200000750244 [0,1,0,1,0,0|2,0,0]=4 21515 B11R1.293 CNC(=O)[C@@H](C)NC1CCC1 34a_100000684985_100000749161 [0,1,0,1,0,0|2,0,0]=4 21516 B11R1.293 COC(=O)C(C)CN1CCC1 269982a_100000754969_100000698445 [0,1,0,1,0,0|2,0,0]=4 21517 B11R1.293 COC(=O)C(C)NC1CCC1 2230a_100000749019_100000211248 [0,1,0,1,0,0|2,0,0]=4 21518 B11R1.293 COC(=O)C(C)NC1CCC1 34a_100000749019_100000211248 [0,1,0,1,0,0|2,0,0]=4 21519 B11R1.293 COC(=O)C(C)OC1CCC1 34a_100000748187_100000211248 [0,1,0,1,0,0|2,0,0]=4 21520 B11R1.293 COC(=O)C(C)OC1CCC1 34a_100011215400_100000749161 [0,1,0,1,0,0|2,0,0]=4 21521 B11R1.293 COC(=O)C(C)SC1CCC1 62a_100000211248_100000749161 [0,1,0,1,0,0|2,0,0]=4 21522 B11R1.294 CCC(=O)C(C)NCC1CC1 2230a_100000735609_100000742827 [0,1,0,1,0,0|1,0,0]=3 21523 B11R1.294 CCC(=O)C(C)SCC1CC1 62a_100000742827_100000742324 [0,1,0,1,0,0|1,0,0]=3 21524 B11R1.294 CCC(=O)C(C)SCC1CC1 62a_100000756562_100000742827 [0,1,0,1,0,0|1,0,0]=3 21525 B11R1.294 CCC(=O)C(C)SCC1CO1 62a_100000742827_102125554688 [0,1,0,1,0,0|2,0,0]=4 21526 B11R1.294 CCC(=O)C(C)SCC1CO1 62a_102125554688_100000742827 [0,1,0,1,0,0|2,0,0]=4 21527 B11R1.294 CCC(=O)C(C)SCC1CS1 62a_100000031435_100000742827 [0,1,0,1,0,0|2,0,0]=4 21528 B11R1.294 CCC(=O)C(C)SCC1CS1 62a_100000742827_100000031435 [0,1,0,1,0,0|2,0,0]=4 21529 B11R1.294 CCC(=O)C(C)SC[C@@H]1CO1 62a_100000742827_100000745022 [0,1,0,1,0,0|2,0,0]=4 21530 B11R1.294 CCC(=O)C(C)SC[C@@H]1CO1 62a_100000745022_100000742827 [0,1,0,1,0,0|2,0,0]=4 21531 B11R1.294 CNC(=O)C(=O)CCC1CC1 1458a_100011218921_100000694398 [0,1,0,1,0,0|1,0,1]=4 21532 B11R1.294 CNC(=O)C(C)CNC1CC1 34a_100015187722_100000211595 [0,1,0,1,0,0|2,0,0]=4 21533 B11R1.294 CNC(=O)C(C)NCC1CC1 2230a_100000735609_100000731044 [0,1,0,1,0,0|2,0,0]=4 21534 B11R1.294 CNC(=O)C(C)NCC1CC1 34a_100000735609_100000731044 [0,1,0,1,0,0|2,0,0]=4 21535 B11R1.294 CNC(=O)C(C)OCC1CC1 34a_100000211283_100000731044 [0,1,0,1,0,0|2,0,0]=4 21536 B11R1.294 CNC(=O)C(C)SCC1CC1 62a_100000209862_100000742324 [0,1,0,1,0,0|2,0,0]=4 21537 B11R1.294 CNC(=O)C(C)SCC1CC1 62a_100000756562_100000731044 [0,1,0,1,0,0|2,0,0]=4 21538 B11R1.294 CNC(=O)C(F)NCC1CC1 2230a_100000735609_100009813575 [0,1,0,1,0,0|2,0,0]=4 21539 B11R1.294 CNC(=O)C(F)NCC1CC1 34a_100000735609_100009813575 [0,1,0,1,0,0|2,0,0]=4 21540 B11R1.294 CNC(=O)C(F)OCC1CC1 34a_100000211283_100009813575 [0,1,0,1,0,0|2,0,0]=4 21541 B11R1.294 CNC(=O)C(F)SCC1CC1 62a_100000756562_100009813575 [0,1,0,1,0,0|2,0,0]=4 21542 B11R1.294 CNC(=O)C(F)SCC1CC1 62a_100009813575_100000742324 [0,1,0,1,0,0|2,0,0]=4 21543 B11R1.294 CNC(=O)[C@@H](C)NCC1CC1 2230a_100000684985_100000742324 [0,1,0,1,0,0|2,0,0]=4 21544 B11R1.294 CNC(=O)[C@@H](C)NCC1CC1 34a_100000684985_100000742324 [0,1,0,1,0,0|2,0,0]=4 21545 B11R1.294 COC(=O)C(C)CNC1CC1 34a_100000212008_100000698445 [0,1,0,1,0,0|2,0,0]=4 21546 B11R1.294 COC(=O)C(C)COC1CC1 34a_100000749362_100000211595 [0,1,0,1,0,0|2,0,0]=4 21547 B11R1.294 COC(=O)C(C)CSC1CC1 62a_100000698445_100000211595 [0,1,0,1,0,0|2,0,0]=4 21548 B11R1.294 COC(=O)C(C)NCC1CC1 2230a_100000735609_100000211248 [0,1,0,1,0,0|2,0,0]=4 21549 B11R1.294 COC(=O)C(C)NCC1CC1 34a_100000735609_100000211248 [0,1,0,1,0,0|2,0,0]=4 21550 B11R1.294 COC(=O)C(C)OCC1CC1 34a_100000211283_100000211248 [0,1,0,1,0,0|2,0,0]=4 21551 B11R1.294 COC(=O)C(C)OCC1CC1 34a_100011215400_100000742324 [0,1,0,1,0,0|2,0,0]=4 21552 B11R1.294 COC(=O)C(C)SCC1CC1 62a_100000211248_100000742324 [0,1,0,1,0,0|2,0,0]=4 21553 B11R1.294 COC(=O)C(C)SCC1CC1 62a_100000756562_100000211248 [0,1,0,1,0,0|2,0,0]=4 21554 B11R1.294 COC(=O)C(F)COC1CC1 34a_200009849844_100000211595 [0,1,0,1,0,0|2,0,0]=4 21555 B11R1.294 COC(=O)[C@H](N)COC1CC1 34a_100000003586_100000211595 [0,1,0,1,0,0|2,0,0]=4 21556 B11R1.295 CCC(=O)C(C)N1CCC1C 269982a_100000755817_100000742827 [0,1,0,1,0,0|1,0,0]=3 21557 B11R1.295 CNC(=O)C(C)N1CCC1C 269982a_100000755817_100000209862 [0,1,0,1,0,0|2,0,0]=4 21558 B11R1.295 CNC(=O)C(C)N1CCC1C 34a_100000755817_100000731044 [0,1,0,1,0,0|2,0,0]=4 21559 B11R1.295 CNC(=O)C(F)N1CCC1C 269982a_100000755817_100009813575 [0,1,0,1,0,0|2,0,0]=4 21560 B11R1.295 CNC(=O)C(F)N1CCC1C 34a_100000755817_100009813575 [0,1,0,1,0,0|2,0,0]=4 21561 B11R1.295 COC(=O)C(C)N1CCC1C 269982a_100000755817_100000211248 [0,1,0,1,0,0|2,0,0]=4 21562 B11R1.295 COC(=O)C(C)N1CCC1C 34a_100000755817_100000211248 [0,1,0,1,0,0|2,0,0]=4 21563 B11R1.299 CCCCCC(C)N1CCC1 269982a_100000754969_200011218191 [0,1,0,1,0,0|2,0,0]=4 21564 B11R1.878 CC1(CCCCC1)C(=O)CF 1458a_100000762840_100015361967 [0,1,0,1,0,0|1,0,0]=3 21565 B11R1.878 CC1(CCOCC1)C(=O)CF 1458a_100000749465_100015361967 [0,1,0,1,0,0|2,0,0]=4 21566 B11R1.878 CCC(=O)C1(CCCCC1)C 1458a_100000762840_100000210202 [0,1,0,1,0,0|0,0,0]=2 21567 B11R1.878 CCC(=O)C1(CCCCC1)F 1458a_100000069003_100000210202 [0,1,0,1,0,0|0,0,0]=2 21568 B11R1.878 CCC(=O)C1(CCCCC1)O 1458a_100000242742_100000210202 [0,1,0,1,0,0|0,0,0]=2 21569 B11R1.878 CCC(=O)C1(CCOCC1)C 1458a_100000749465_100000210202 [0,1,0,1,0,0|1,0,0]=3 21570 B11R1.878 CCC(=O)C1(CCOCC1)F 1458a_100009845733_100000210202 [0,1,0,1,0,0|1,0,0]=3 21571 B11R1.878 CCC(=O)C1(CCOCC1)O 1458a_100000751969_100000210202 [0,1,0,1,0,0|1,0,0]=3 21572 B11R1.878 CNC(=O)C1(CCCCC1)C 11a_106832991635_100000762840 [0,1,0,1,0,0|1,0,0]=3 21573 B11R1.878 CNC(=O)C1(CCCCC1)C 1626a_100102657272_100000762840 [0,1,0,1,0,0|1,0,0]=3 21574 B11R1.878 CNC(=O)C1(CCCCC1)C 240690a_100102657272_100000762840 [0,1,0,1,0,0|1,0,0]=3 21575 B11R1.878 CNC(=O)C1(CCCCC1)C 527a_100102657272_100000762840 [0,1,0,1,0,0|1,0,0]=3 21576 B11R1.878 CNC(=O)C1(CCCCC1)F 11a_106832991635_100000069003 [0,1,0,1,0,0|1,0,0]=3 21577 B11R1.878 CNC(=O)C1(CCCCC1)F 1626a_100102657272_100000069003 [0,1,0,1,0,0|1,0,0]=3 21578 B11R1.878 CNC(=O)C1(CCCCC1)F 240690a_100102657272_100000069003 [0,1,0,1,0,0|1,0,0]=3 21579 B11R1.878 CNC(=O)C1(CCCCC1)F 527a_100102657272_100000069003 [0,1,0,1,0,0|1,0,0]=3 21580 B11R1.878 CNC(=O)C1(CCCCC1)O 240690a_100102657272_100000242742 [0,1,0,1,0,0|1,0,0]=3 21581 B11R1.878 CNC(=O)C1(CCOCC1)C 11a_106832991635_100000749465 [0,1,0,1,0,0|2,0,0]=4 21582 B11R1.878 CNC(=O)C1(CCOCC1)C 1626a_100102657272_100000749465 [0,1,0,1,0,0|2,0,0]=4 21583 B11R1.878 CNC(=O)C1(CCOCC1)C 240690a_100102657272_100000749465 [0,1,0,1,0,0|2,0,0]=4 21584 B11R1.878 CNC(=O)C1(CCOCC1)C 527a_100102657272_100000749465 [0,1,0,1,0,0|2,0,0]=4 21585 B11R1.878 CNC(=O)C1(CCOCC1)F 11a_106832991635_100009845733 [0,1,0,1,0,0|2,0,0]=4 21586 B11R1.878 CNC(=O)C1(CCOCC1)F 1626a_100102657272_100009845733 [0,1,0,1,0,0|2,0,0]=4 21587 B11R1.878 CNC(=O)C1(CCOCC1)F 240690a_100102657272_100009845733 [0,1,0,1,0,0|2,0,0]=4 21588 B11R1.878 CNC(=O)C1(CCOCC1)F 527a_100102657272_100009845733 [0,1,0,1,0,0|2,0,0]=4 21589 B11R1.878 CNC(=O)C1(CCOCC1)O 240690a_100102657272_100000751969 [0,1,0,1,0,0|2,0,0]=4 21590 B11R1.878 O=C(CF)C1(CCCCC1)F 1458a_100000069003_100015361967 [0,1,0,1,0,0|1,0,0]=3 21591 B11R1.878 O=C(CF)C1(CCCCC1)O 1458a_100000242742_100015361967 [0,1,0,1,0,0|1,0,0]=3 21592 B11R1.878 O=C(CF)C1(CCOCC1)F 1458a_100009845733_100015361967 [0,1,0,1,0,0|2,0,0]=4 21593 B11R1.878 O=C(CF)C1(CCOCC1)O 1458a_100000751969_100015361967 [0,1,0,1,0,0|2,0,0]=4 21594 B11R1.958 CCN1CCC(=O)N(CC1)C 2230a_100020591582_100000210202 [0,1,0,1,0,0|2,0,0]=4 21595 B11R1.958 CCN1CCC(=O)N(CC1)C 269982a_100020591582_100000204670 [0,1,0,1,0,0|2,0,0]=4 21596 B11R1.958 CCN1CCC(=O)N(CC1)C 34a_100020591582_100000210202 [0,1,0,1,0,0|2,0,0]=4 21597 B11R1.1470 COC(=O)[C@@]1(CCCN1C)C 2230a_100000719487_200000210301 [0,1,0,1,0,0|2,0,0]=4 21598 B11R1.1470 COC(=O)[C@@]1(CCCN1C)C 269982a_100000719487_200000210301 [0,1,0,1,0,0|2,0,0]=4 21599 B11R1.1470 COC(=O)[C@@]1(CCCN1C)C 34a_100000719487_200000210301 [0,1,0,1,0,0|2,0,0]=4 21600 B11R1.1470 COC(=O)[C@@]1(CCCN1[13CH3])C 2230a_100000719487_200025704644 [0,1,0,1,0,0|2,0,0]=4 21601 B11R1.1470 COC(=O)[C@@]1(CCCN1[13CH3])C 269982a_100000719487_200025704644 [0,1,0,1,0,0|2,0,0]=4 21602 B11R1.1470 COC(=O)[C@@]1(CCCN1[13CH3])C 34a_100000719487_200025704644 [0,1,0,1,0,0|2,0,0]=4 21603 B11R1.15 CCCC(=O)C1CCC(=O)N1 1458a_100000210400_100000210303 [0,1,0,1,0,0|1,0,1]=4 21604 B11R1.15 CCCC(=O)C1CNC(=O)C1 1458a_100000747279_100000210303 [0,1,0,1,0,0|1,0,1]=4 21605 B11R1.15 CCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000210303 [0,1,0,1,0,0|1,0,1]=4 21606 B11R1.15 CCCC(C)N1CNC(=O)C1 2230a_200000708111_100000766640 [0,1,0,1,0,0|2,0,0]=4 21607 B11R1.225 CCC(=O)[C@@H]1C[C@H](CN1C)O 1458a_100015191551_100000210202 [0,1,0,1,0,0|1,0,0]=3 21608 B11R1.225 CN1C[C@@H](C[C@H]1C(=O)CF)O 1458a_100015191551_100015361967 [0,1,0,1,0,0|2,0,0]=4 21609 B11R1.225 CNC(=O)[C@@H]1C[C@H](CN1C)O 240690a_100102657272_100015191551 [0,1,0,1,0,0|2,0,0]=4 21610 B11R1.225 COC(=O)[C@@H]1CN(C[C@H]1C)C 269982a_202516457430_200000210301 [0,1,0,1,0,0|2,0,0]=4 21611 B11R1.225 COC(=O)[C@@H]1CN(C[C@H]1C)C 34a_202516457430_200000210301 [0,1,0,1,0,0|2,0,0]=4 21612 B11R1.225 COC(=O)[C@@H]1CN(C[C@H]1C)[13CH3] 269982a_202516457430_200025704644 [0,1,0,1,0,0|2,0,0]=4 21613 B11R1.225 COC(=O)[C@@H]1CN(C[C@H]1C)[13CH3] 34a_202516457430_200025704644 [0,1,0,1,0,0|2,0,0]=4 21614 B11R1.225 COC(=O)[C@@H]1C[C@@H](CN1C)F 2230a_100000724535_200000210301 [0,1,0,1,0,0|2,0,0]=4 21615 B11R1.225 COC(=O)[C@@H]1C[C@@H](CN1C)F 269982a_100000724535_200000210301 [0,1,0,1,0,0|2,0,0]=4 21616 B11R1.225 COC(=O)[C@@H]1C[C@@H](CN1C)F 34a_100000724535_200000210301 [0,1,0,1,0,0|2,0,0]=4 21617 B11R1.225 COC(=O)[C@@H]1C[C@@H](CN1[13CH3])F 2230a_100000724535_200025704644 [0,1,0,1,0,0|2,0,0]=4 21618 B11R1.225 COC(=O)[C@@H]1C[C@@H](CN1[13CH3])F 269982a_100000724535_200025704644 [0,1,0,1,0,0|2,0,0]=4 21619 B11R1.225 COC(=O)[C@@H]1C[C@@H](CN1[13CH3])F 34a_100000724535_200025704644 [0,1,0,1,0,0|2,0,0]=4 21620 B11R1.225 COC(=O)[C@@H]1C[C@H](CN1C)O 2230a_100000753705_200000210301 [0,1,0,1,0,0|2,0,0]=4 21621 B11R1.225 COC(=O)[C@@H]1C[C@H](CN1C)O 269982a_100000753705_200000210301 [0,1,0,1,0,0|2,0,0]=4 21622 B11R1.225 COC(=O)[C@@H]1C[C@H](CN1[13CH3])O 2230a_100000753705_200025704644 [0,1,0,1,0,0|2,0,0]=4 21623 B11R1.225 COC(=O)[C@@H]1C[C@H](CN1[13CH3])O 269982a_100000753705_200025704644 [0,1,0,1,0,0|2,0,0]=4 21624 B11R1.391 CCN1CCC(=O)NC[C@@H]1C 2230a_102125656889_100000210202 [0,1,0,1,0,0|2,0,0]=4 21625 B11R1.391 CCN1CCC(=O)NC[C@@H]1C 269982a_102125656889_100000204670 [0,1,0,1,0,0|2,0,0]=4 21626 B11R1.391 CCN1CCC(=O)NC[C@@H]1C 34a_102125656889_100000210202 [0,1,0,1,0,0|2,0,0]=4 21627 B11R1.524 CC(OCC(=O)CF)C1CC1 1458a_200000137917_100015361967 [0,1,0,1,0,0|2,0,0]=4 21628 B11R1.524 CCC(=O)COC(=O)C1CC1 1458a_100000210414_100000140896 [0,1,0,1,0,0|1,0,1]=4 21629 B11R1.524 CCC(=O)COC(C)C1CC1 1458a_200000137917_100000210202 [0,1,0,1,0,0|1,0,0]=3 21630 B11R1.524 CCC(=O)COC(C)C1CC1 7a_100000744524_100000747405 [0,1,0,1,0,0|1,0,0]=3 21631 B11R1.524 CCC(=O)NCC(O)C1CC1 11a_100000751198_100000210414 [0,1,0,1,0,0|1,0,0]=3 21632 B11R1.524 CCC(=O)NCC(O)C1CC1 240690a_100000751198_100000210414 [0,1,0,1,0,0|1,0,0]=3 21633 B11R1.524 CCC(=O)NCC(O)C1CC1 527a_100000751198_100000210414 [0,1,0,1,0,0|1,0,0]=3 21634 B11R1.524 CNC(=O)CCN(C)C1CC1 2230a_100000226674_100000737683 [0,1,0,1,0,0|2,0,0]=4 21635 B11R1.524 CNC(=O)CCN(C)C1CC1 269982a_100000226674_100000737683 [0,1,0,1,0,0|2,0,0]=4 21636 B11R1.524 CNC(=O)CCN(C)C1CC1 269982a_100000750875_100000211595 [0,1,0,1,0,0|2,0,0]=4 21637 B11R1.524 CNC(=O)CNC(C)C1CC1 2230a_100000700016_100000183359 [0,1,0,1,0,0|2,0,0]=4 21638 B11R1.524 CNC(=O)CNC(C)C1CC1 269862a_100000693194_100000210639 [0,1,0,1,0,0|2,0,0]=4 21639 B11R1.524 CNC(=O)CNC(C)C1CC1 34a_100000700016_100000183359 [0,1,0,1,0,0|2,0,0]=4 21640 B11R1.524 CNC(=O)COC(C)C1CC1 11a_106832991635_200000137917 [0,1,0,1,0,0|2,0,0]=4 21641 B11R1.524 CNC(=O)COC(C)C1CC1 1626a_100102657272_200000137917 [0,1,0,1,0,0|2,0,0]=4 21642 B11R1.524 CNC(=O)COC(C)C1CC1 240690a_100102657272_200000137917 [0,1,0,1,0,0|2,0,0]=4 21643 B11R1.524 CNC(=O)COC(C)C1CC1 34a_100000744524_100000183359 [0,1,0,1,0,0|2,0,0]=4 21644 B11R1.524 CNC(=O)COC(C)C1CC1 527a_100102657272_200000137917 [0,1,0,1,0,0|2,0,0]=4 21645 B11R1.524 CNC(=O)COC(C)C1CC1 7a_100000744524_100000183359 [0,1,0,1,0,0|2,0,0]=4 21646 B11R1.524 CNC(=O)NCC(O)C1CC1 2708a_100102657272_100000751198 [0,1,0,1,0,0|2,0,0]=4 21647 B11R1.524 CNC(=O)NCC(O)C1CC1 273464a_100000751198_100102657272 [0,1,0,1,0,0|2,0,0]=4 21648 B11R1.524 CNC(=O)NCC(O)C1CC1 273464a_100102657272_100000751198 [0,1,0,1,0,0|2,0,0]=4 21649 B11R1.524 CNC(=O)NCC(O)C1CC1 512a_106832991638_100000751198 [0,1,0,1,0,0|2,0,0]=4 21650 B11R1.524 COC(=O)CCN(C)C1CC1 2230a_100000226674_100000204255 [0,1,0,1,0,0|2,0,0]=4 21651 B11R1.524 COC(=O)CCN(C)C1CC1 269982a_100000226674_100000204255 [0,1,0,1,0,0|2,0,0]=4 21652 B11R1.524 COC(=O)CCN(C)C1CC1 269982a_100025711912_100000211595 [0,1,0,1,0,0|2,0,0]=4 21653 B11R1.524 COC(=O)CNC(C)C1CC1 2230a_100000700016_100000747449 [0,1,0,1,0,0|2,0,0]=4 21654 B11R1.524 COC(=O)CNC(C)C1CC1 34a_100000700016_100000747449 [0,1,0,1,0,0|2,0,0]=4 21655 B11R1.524 COC(=O)COC(C)C1CC1 34a_100000744524_100000747449 [0,1,0,1,0,0|2,0,0]=4 21656 B11R1.524 COC(=O)COC(C)C1CC1 7a_100000744524_100000747449 [0,1,0,1,0,0|2,0,0]=4 21657 B11R1.524 O=C(CO)NCC(O)C1CC1 240690a_100000751198_100000210174 [0,1,0,1,0,0|2,0,0]=4 21658 B11R1.524 O=C(CO)NCC(O)C1CC1 527a_100000751198_100000210174 [0,1,0,1,0,0|2,0,0]=4 21659 B11R1.859 CC1(CCC1)CNC(=O)CO 240690a_100000706607_100000210174 [0,1,0,1,0,0|2,0,0]=4 21660 B11R1.859 CC1(CCC1)CNC(=O)CO 527a_100000706607_100000210174 [0,1,0,1,0,0|2,0,0]=4 21661 B11R1.859 CCC(=O)COC1(CCC1)C 7a_100000759064_100000747405 [0,1,0,1,0,0|1,0,0]=3 21662 B11R1.859 CCC(=O)COC1(CSC1)C 7a_100016018533_100000747405 [0,1,0,1,0,0|2,0,0]=4 21663 B11R1.859 CCC(=O)NCC1(CCC1)C 11a_100000706607_100000210414 [0,1,0,1,0,0|1,0,0]=3 21664 B11R1.859 CCC(=O)NCC1(CCC1)C 1626a_100000706607_100000210414 [0,1,0,1,0,0|1,0,0]=3 21665 B11R1.859 CCC(=O)NCC1(CCC1)C 240690a_100000706607_100000210414 [0,1,0,1,0,0|1,0,0]=3 21666 B11R1.859 CCC(=O)NCC1(CCC1)C 527a_100000706607_100000210414 [0,1,0,1,0,0|1,0,0]=3 21667 B11R1.859 CCC(=O)NCC1(CCC1)O 11a_100000752638_100000210414 [0,1,0,1,0,0|1,0,0]=3 21668 B11R1.859 CCC(=O)NCC1(CCC1)O 1626a_100000752638_100000210414 [0,1,0,1,0,0|1,0,0]=3 21669 B11R1.859 CCC(=O)NCC1(CCC1)O 240690a_100000752638_100000210414 [0,1,0,1,0,0|1,0,0]=3 21670 B11R1.859 CCC(=O)NCC1(CCC1)O 527a_100000752638_100000210414 [0,1,0,1,0,0|1,0,0]=3 21671 B11R1.859 CCC(=O)NCC1(COC1)C 1626a_100020631278_100000210414 [0,1,0,1,0,0|2,0,0]=4 21672 B11R1.859 CCC(=O)NCC1(COC1)C 527a_100020631278_100000210414 [0,1,0,1,0,0|2,0,0]=4 21673 B11R1.859 CCC(=O)NCC1(COC1)O 11a_100010264505_100000210414 [0,1,0,1,0,0|2,0,0]=4 21674 B11R1.859 CCC(=O)NCC1(COC1)O 240690a_100010264505_100000210414 [0,1,0,1,0,0|2,0,0]=4 21675 B11R1.859 CCC(=O)NCC1(COC1)O 527a_100010264505_100000210414 [0,1,0,1,0,0|2,0,0]=4 21676 B11R1.859 CNC(=O)CNC1(CCC1)C 2230a_100000692455_100000183359 [0,1,0,1,0,0|2,0,0]=4 21677 B11R1.859 CNC(=O)CNC1(CCC1)C 34a_100000692455_100000183359 [0,1,0,1,0,0|2,0,0]=4 21678 B11R1.859 CNC(=O)COC1(CCC1)C 34a_100000759064_100000183359 [0,1,0,1,0,0|2,0,0]=4 21679 B11R1.859 CNC(=O)COC1(CCC1)C 7a_100000759064_100000183359 [0,1,0,1,0,0|2,0,0]=4 21680 B11R1.859 CNC(=O)NCC1(CCC1)C 2708a_100000706607_106832991635 [0,1,0,1,0,0|2,0,0]=4 21681 B11R1.859 CNC(=O)NCC1(CCC1)C 2708a_100102657272_100000706607 [0,1,0,1,0,0|2,0,0]=4 21682 B11R1.859 CNC(=O)NCC1(CCC1)C 273464a_100000706607_100102657272 [0,1,0,1,0,0|2,0,0]=4 21683 B11R1.859 CNC(=O)NCC1(CCC1)C 273464a_100102657272_100000706607 [0,1,0,1,0,0|2,0,0]=4 21684 B11R1.859 CNC(=O)NCC1(CCC1)C 512a_100000706607_100102657272 [0,1,0,1,0,0|2,0,0]=4 21685 B11R1.859 CNC(=O)NCC1(CCC1)C 512a_106832991638_100000706607 [0,1,0,1,0,0|2,0,0]=4 21686 B11R1.859 CNC(=O)NCC1(CCC1)O 2708a_100000752638_106832991635 [0,1,0,1,0,0|2,0,0]=4 21687 B11R1.859 CNC(=O)NCC1(CCC1)O 2708a_100102657272_100000752638 [0,1,0,1,0,0|2,0,0]=4 21688 B11R1.859 CNC(=O)NCC1(CCC1)O 273464a_100102657272_100000752638 [0,1,0,1,0,0|2,0,0]=4 21689 B11R1.859 CNC(=O)NCC1(CCC1)O 512a_100000752638_100102657272 [0,1,0,1,0,0|2,0,0]=4 21690 B11R1.859 CNC(=O)NCC1(CCC1)O 512a_106832991638_100000752638 [0,1,0,1,0,0|2,0,0]=4 21691 B11R1.859 COC(=O)CNC1(CCC1)C 2230a_100000692455_100000747449 [0,1,0,1,0,0|2,0,0]=4 21692 B11R1.859 COC(=O)CNC1(CCC1)C 34a_100000692455_100000747449 [0,1,0,1,0,0|2,0,0]=4 21693 B11R1.859 COC(=O)COC1(CCC1)C 34a_100000759064_100000747449 [0,1,0,1,0,0|2,0,0]=4 21694 B11R1.859 COC(=O)COC1(CCC1)C 7a_100000759064_100000747449 [0,1,0,1,0,0|2,0,0]=4 21695 B11R1.859 O=C(CO)NCC1(CCC1)O 240690a_100000752638_100000210174 [0,1,0,1,0,0|2,0,0]=4 21696 B11R1.859 O=C(CO)NCC1(CCC1)O 527a_100000752638_100000210174 [0,1,0,1,0,0|2,0,0]=4 21697 B11R1.1234 CC1(CCC(=O)CC1)OCF 34a_100012184276_100015361967 [0,1,0,1,0,0|2,0,0]=4 21698 B11R1.1234 CC1(CCC(=O)CC1)OCF 7a_100012184276_100015361967 [0,1,0,1,0,0|2,0,0]=4 21699 B11R1.1234 CCOC1(CCC(=O)CC1)C 34a_100012184276_100000210202 [0,1,0,1,0,0|1,0,0]=3 21700 B11R1.1234 CCOC1(CCC(=O)CC1)C 7a_100012184276_100000210202 [0,1,0,1,0,0|1,0,0]=3 21701 B11R2.34 C=C1CCN(CC1)C2CC2 269982a_100000752442_100000211595 [0,0,0,2,0,0|2,0,0]=4 21702 B11R2.34 C=C1CCN(CC1)C2CC2 34a_100000752442_100000211595 [0,0,0,2,0,0|2,0,0]=4 21703 B11R2.34 O=S1CCN(CC1)C2CC2 269982a_100000752083_100000211595 [0,0,0,2,0,0|2,0,0]=4 21704 B11R2.164 CCN1CC2CCC1CC2 2230a_100000750499_100000210202 [0,0,0,2,0,0|2,0,0]=4 21705 B11R2.164 CCN1CC2CCC1CC2 269982a_100000750499_100000204670 [0,0,0,2,0,0|2,0,0]=4 21706 B11R2.164 CCN1CC2CCC1CC2 34a_100000750499_100000210202 [0,0,0,2,0,0|2,0,0]=4 21707 B11R2.742 CN1CCC2(CCC2)CC1 2230a_100000730750_200000210301 [0,0,0,2,0,0|2,0,0]=4 21708 B11R2.742 CN1CCC2(CCC2)CC1 269982a_100000730750_200000210301 [0,0,0,2,0,0|2,0,0]=4 21709 B11R2.742 CN1CCC2(CCC2)CC1 34a_100000730750_200000210301 [0,0,0,2,0,0|2,0,0]=4 21710 B11R2.742 [13CH3]N1CCC2(CCC2)CC1 2230a_100000730750_200025704644 [0,0,0,2,0,0|2,0,0]=4 21711 B11R2.742 [13CH3]N1CCC2(CCC2)CC1 269982a_100000730750_200025704644 [0,0,0,2,0,0|2,0,0]=4 21712 B11R2.742 [13CH3]N1CCC2(CCC2)CC1 34a_100000730750_200025704644 [0,0,0,2,0,0|2,0,0]=4 21713 B11R2.239 C1CCC(CC1)N2CCC2 269982a_100000754969_100000210327 [0,0,0,2,0,0|2,0,0]=4 21714 B11R2.905 CCC(=O)C1C2C1COC2 1458a_100000138910_100000210202 [0,0,0,2,0,0|1,0,0]=3 21715 B11R2.905 CNC(=O)C1C2C1COC2 11a_106832991635_100000138910 [0,0,0,2,0,0|2,0,0]=4 21716 B11R2.905 CNC(=O)C1C2C1COC2 1626a_100102657272_100000138910 [0,0,0,2,0,0|2,0,0]=4 21717 B11R2.905 CNC(=O)C1C2C1COC2 240690a_100102657272_100000138910 [0,0,0,2,0,0|2,0,0]=4 21718 B11R2.905 CNC(=O)C1C2C1COC2 527a_100102657272_100000138910 [0,0,0,2,0,0|2,0,0]=4 21719 B11R2.905 O=C(CF)C1C2C1COC2 1458a_100000138910_100015361967 [0,0,0,2,0,0|2,0,0]=4 21720 B11R2.914 CCC(=O)N1CC2CC2C1 11a_100000741873_100000210414 [0,0,0,2,0,0|1,0,0]=3 21721 B11R2.914 CCC(=O)N1CC2CC2C1 1626a_100000741873_100000210414 [0,0,0,2,0,0|1,0,0]=3 21722 B11R2.914 CCC(=O)N1CC2CC2C1 240690a_100000741873_100000210414 [0,0,0,2,0,0|1,0,0]=3 21723 B11R2.914 CCC(=O)N1CC2CC2C1 527a_100000741873_100000210414 [0,0,0,2,0,0|1,0,0]=3 21724 B11R2.914 CNC(=O)N1CC2CC2C1 2708a_100102657272_100000741873 [0,0,0,2,0,0|2,0,0]=4 21725 B11R2.914 CNC(=O)N1CC2CC2C1 273464a_100102657272_100000741873 [0,0,0,2,0,0|2,0,0]=4 21726 B11R2.914 O=C(CO)N1CC2CC2C1 240690a_100000741873_100000210174 [0,0,0,2,0,0|2,0,0]=4 21727 B11R2.914 O=C(CO)N1CC2CC2C1 527a_100000741873_100000210174 [0,0,0,2,0,0|2,0,0]=4 21728 B11R2.10 CN1C[C@H]2CCCC[C@H]2C1 2230a_100015204113_200000210301 [0,0,0,2,0,0|2,0,0]=4 21729 B11R2.10 CN1C[C@H]2CCCC[C@H]2C1 269982a_100015204113_200000210301 [0,0,0,2,0,0|2,0,0]=4 21730 B11R2.10 CN1C[C@H]2CCCC[C@H]2C1 34a_100015204113_200000210301 [0,0,0,2,0,0|2,0,0]=4 21731 B11R2.10 [13CH3]N1C[C@H]2CCCC[C@H]2C1 2230a_100015204113_200025704644 [0,0,0,2,0,0|2,0,0]=4 21732 B11R2.10 [13CH3]N1C[C@H]2CCCC[C@H]2C1 269982a_100015204113_200025704644 [0,0,0,2,0,0|2,0,0]=4 21733 B11R2.10 [13CH3]N1C[C@H]2CCCC[C@H]2C1 34a_100015204113_200025704644 [0,0,0,2,0,0|2,0,0]=4 21734 B11R2.351 O=C1CC(CN1)OC2CC2 34a_100000690082_100000211595 [0,0,0,2,0,0|2,0,0]=4 21735 B11R2.351 O=C1CCC(C1)OC2CC2 34a_100012614533_100000211595 [0,0,0,2,0,0|1,0,0]=3 21736 B11R2.351 O=C1CN(CN1)CC2CC2 2230a_200000708111_100000742324 [0,0,0,2,0,0|2,0,0]=4 21737 B11R2.748 CN1CCC2(C1)CCCC2 2230a_100000764703_200000210301 [0,0,0,2,0,0|2,0,0]=4 21738 B11R2.748 CN1CCC2(C1)CCCC2 269982a_100000764703_200000210301 [0,0,0,2,0,0|2,0,0]=4 21739 B11R2.748 CN1CCC2(C1)CCCC2 34a_100000764703_200000210301 [0,0,0,2,0,0|2,0,0]=4 21740 B11R2.748 [13CH3]N1CCC2(C1)CCCC2 2230a_100000764703_200025704644 [0,0,0,2,0,0|2,0,0]=4 21741 B11R2.748 [13CH3]N1CCC2(C1)CCCC2 269982a_100000764703_200025704644 [0,0,0,2,0,0|2,0,0]=4 21742 B11R2.748 [13CH3]N1CCC2(C1)CCCC2 34a_100000764703_200025704644 [0,0,0,2,0,0|2,0,0]=4 21743 B11R2.7 O=C1CCC1N2CCCC2 269982a_100000188435_100009892977 [0,0,0,2,0,0|1,0,0]=3 21744 B11R2.7 O=C1CCC1N2CCSC2 269982a_100011215254_100009892977 [0,0,0,2,0,0|2,0,0]=4 21745 B11R2.15 CCN1C[C@H]2CCC[C@H]2C1 2230a_100102946302_100000210202 [0,0,0,2,0,0|2,0,0]=4 21746 B11R2.15 CCN1C[C@H]2CCC[C@H]2C1 269982a_100102946302_100000204670 [0,0,0,2,0,0|2,0,0]=4 21747 B11R2.15 CCN1C[C@H]2CCC[C@H]2C1 34a_100102946302_100000210202 [0,0,0,2,0,0|2,0,0]=4 21748 B11R2.237 C1CCC(C1)CN2CCC2 269982a_100000754969_100000740388 [0,0,0,2,0,0|2,0,0]=4 21749 B11R2.58 O=C1CCC1N[C@@H]2C[C@H]2F 34a_100025746932_100009892977 [0,0,0,2,0,0|2,0,0]=4 21750 B11R2.112 CC1CCN1C2CCC2=O 269982a_100000755817_100009892977 [0,0,0,2,0,0|1,0,0]=3 21751 B11R2.112 CC1CCN1C2CCC2=O 34a_100000755817_100009892977 [0,0,0,2,0,0|1,0,0]=3 21752 B11R2.362 O=C1CCC1NCC2CC2 34a_100000735609_100009892977 [0,0,0,2,0,0|1,0,0]=3 21753 B11R2.362 O=C1CCC1OCC2CC2 34a_100000211283_100009892977 [0,0,0,2,0,0|1,0,0]=3 21754 B11R2.362 O=C1CCC1OC[C@@H]2CO2 34a_100000757423_100009892977 [0,0,0,2,0,0|2,0,0]=4 21755 B11R2.362 O=C1CCC1SCC2CC2 62a_100000756562_100009892977 [0,0,0,2,0,0|1,0,0]=3 21756 B11R2.362 O=C1CCC1SCC2CC2 62a_100009892977_100000742324 [0,0,0,2,0,0|1,0,0]=3 21757 B11R2.362 O=C1CCC1SCC2CO2 62a_100009892977_102125554688 [0,0,0,2,0,0|2,0,0]=4 21758 B11R2.362 O=C1CCC1SCC2CO2 62a_102125554688_100009892977 [0,0,0,2,0,0|2,0,0]=4 21759 B11R2.362 O=C1CCC1SCC2CS2 62a_100000031435_100009892977 [0,0,0,2,0,0|2,0,0]=4 21760 B11R2.362 O=C1CCC1SCC2CS2 62a_100009892977_100000031435 [0,0,0,2,0,0|2,0,0]=4 21761 B11R2.362 O=C1CCC1SC[C@@H]2CO2 62a_100000745022_100009892977 [0,0,0,2,0,0|2,0,0]=4 21762 B11R2.362 O=C1CCC1SC[C@@H]2CO2 62a_100009892977_100000745022 [0,0,0,2,0,0|2,0,0]=4 21763 B11R2.512 O=C1CCC1NC2CCC2 34a_100000749019_100009892977 [0,0,0,2,0,0|1,0,0]=3 21764 B11R2.512 O=C1CCC1OC2CCC2 34a_100000748187_100009892977 [0,0,0,2,0,0|1,0,0]=3 21765 B11R2.512 O=C1CCC1OC2CSC2 7a_100000072292_100009892977 [0,0,0,2,0,0|2,0,0]=4 21766 B11R2.512 O=C1CCC1SC2CCC2 62a_100009892977_100000749161 [0,0,0,2,0,0|1,0,0]=3 21767 B11R2.512 O=C1CCC1SC2COC2 62a_100009892977_100009818527 [0,0,0,2,0,0|2,0,0]=4 21768 B11R2.21 CCN1CCC(C1)C2CC2 2230a_100000695110_100000210202 [0,0,0,2,0,0|2,0,0]=4 21769 B11R2.21 CCN1CCC(C1)C2CC2 269982a_100000695110_100000204670 [0,0,0,2,0,0|2,0,0]=4 21770 B11R2.21 CCN1CCC(C1)C2CC2 34a_100000695110_100000210202 [0,0,0,2,0,0|2,0,0]=4 21771 B11R2.1009 CCN1CCC2(C1)CCC2 2230a_100000686913_100000210202 [0,0,0,2,0,0|2,0,0]=4 21772 B11R2.1009 CCN1CCC2(C1)CCC2 269982a_100000686913_100000204670 [0,0,0,2,0,0|2,0,0]=4 21773 B11R2.1009 CCN1CCC2(C1)CCC2 34a_100000686913_100000210202 [0,0,0,2,0,0|2,0,0]=4 21774 B11R2.1927 CCC(=O)C1CC12CCC2 1458a_100000687150_100000210202 [0,0,0,2,0,0|0,0,0]=2 21775 B11R2.1927 CNC(=O)C1CC12CCC2 11a_106832991635_100000687150 [0,0,0,2,0,0|1,0,0]=3 21776 B11R2.1927 CNC(=O)C1CC12CCC2 1626a_100102657272_100000687150 [0,0,0,2,0,0|1,0,0]=3 21777 B11R2.1927 CNC(=O)C1CC12CCC2 240690a_100102657272_100000687150 [0,0,0,2,0,0|1,0,0]=3 21778 B11R2.1927 CNC(=O)C1CC12CCC2 527a_100102657272_100000687150 [0,0,0,2,0,0|1,0,0]=3 21779 B11R2.1927 O=C(CF)C1CC12CCC2 1458a_100000687150_100015361967 [0,0,0,2,0,0|1,0,0]=3