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C#CCCCCCC(=O)CO 1458a_100000210174_100012094781 [0,0,0,0,0,0|1,0,2]=3 13 B10R0.74 C#CCCCCCC(=O)NC 11a_106832991635_100000694772 [0,0,0,0,0,0|1,0,2]=3 14 B10R0.74 C#CCCCCCC(=O)NC 1626a_100102657272_100000694772 [0,0,0,0,0,0|1,0,2]=3 15 B10R0.74 C#CCCCCCC(=O)NC 240690a_100102657272_100000694772 [0,0,0,0,0,0|1,0,2]=3 16 B10R0.74 C#CCCCCCC(=O)NC 527a_100102657272_100000694772 [0,0,0,0,0,0|1,0,2]=3 17 B10R0.74 C#CCCCCNC(=O)CO 240690a_100000706060_100000210174 [0,0,0,0,0,0|2,0,2]=4 18 B10R0.74 C#CCCCCNC(=O)CO 527a_100000706060_100000210174 [0,0,0,0,0,0|2,0,2]=4 19 B10R0.74 C#CCCCCNC(=O)NC 2708a_100000706060_106832991635 [0,0,0,0,0,0|2,0,2]=4 20 B10R0.74 C#CCCCCNC(=O)NC 2708a_100102657272_100000706060 [0,0,0,0,0,0|2,0,2]=4 21 B10R0.74 C#CCCCCNC(=O)NC 273464a_100000706060_100102657272 [0,0,0,0,0,0|2,0,2]=4 22 B10R0.74 C#CCCCCNC(=O)NC 273464a_100102657272_100000706060 [0,0,0,0,0,0|2,0,2]=4 23 B10R0.74 C#CCCCCNC(=O)NC 512a_100000706060_100102657272 [0,0,0,0,0,0|2,0,2]=4 24 B10R0.74 C#CCCCCNC(=O)NC 512a_106832991638_100000706060 [0,0,0,0,0,0|2,0,2]=4 25 B10R0.74 C#CCCCNCC(=O)NC 2230a_100000693194_100000731252 [0,0,0,0,0,0|2,0,2]=4 26 B10R0.74 C#CCCCNCC(=O)NC 34a_100000718082_100000183359 [0,0,0,0,0,0|2,0,2]=4 27 B10R0.74 C#CCCCOCC(=O)NC 34a_100000215630_100000183359 [0,0,0,0,0,0|2,0,2]=4 28 B10R0.74 C#CCCCOCC(=O)NC 34a_100000750040_100000695029 [0,0,0,0,0,0|2,0,2]=4 29 B10R0.74 C#CCCCOCC(=O)NC 7a_100000215630_100000183359 [0,0,0,0,0,0|2,0,2]=4 30 B10R0.74 C#CCCCSCC(=O)NC 62a_100000183359_100011215417 [0,0,0,0,0,0|2,0,2]=4 31 B10R0.74 C#CCCCSCC(=O)NC 62a_100011215417_100000183359 [0,0,0,0,0,0|2,0,2]=4 32 B10R0.74 C#CCCNCCC(=O)NC 2230a_100000738227_100000688953 [0,0,0,0,0,0|2,0,2]=4 33 B10R0.74 C#CCCNCCC(=O)NC 34a_100000738227_100000688953 [0,0,0,0,0,0|2,0,2]=4 34 B10R0.74 C#CCCNCCC(=O)NC 34a_100000755551_100012179268 [0,0,0,0,0,0|2,0,2]=4 35 B10R0.74 C#CCCOCCC(=O)NC 34a_100000754576_100000688953 [0,0,0,0,0,0|2,0,2]=4 36 B10R0.74 C#CCCOCCC(=O)NC 34a_100011215631_100012179268 [0,0,0,0,0,0|2,0,2]=4 37 B10R0.74 C#CCCSCCC(=O)NC 62a_100000688953_100000737683 [0,0,0,0,0,0|2,0,2]=4 38 B10R0.74 C#CCCSCCC(=O)NC 62a_100000737683_100000688953 [0,0,0,0,0,0|2,0,2]=4 39 B10R0.74 C#CCNCCCC(=O)NC 2230a_100000740002_100000038162 [0,0,0,0,0,0|2,0,2]=4 40 B10R0.74 C#CCNCCCC(=O)NC 34a_100000212058_100000741757 [0,0,0,0,0,0|2,0,2]=4 41 B10R0.74 C#CCNCCCC(=O)NC 34a_100000740002_100000184674 [0,0,0,0,0,0|2,0,2]=4 42 B10R0.74 C#CCOCCCC(=O)NC 34a_100000210247_100000741757 [0,0,0,0,0,0|2,0,2]=4 43 B10R0.74 C#CCOCCCC(=O)NN 34a_100000211488_100000184674 [0,0,0,0,0,0|2,0,2]=4 44 B10R0.74 C#CCSCCCC(=O)NC 62a_100000038162_100000741757 [0,0,0,0,0,0|2,0,2]=4 45 B10R0.74 C/C=C/CCOCC(=O)NC 34a_100016278192_100000183359 [0,0,0,0,0,0|2,0,2]=4 46 B10R0.74 C/C=C/CNCCC(=O)NC 34a_100000738227_100102629194 [0,0,0,0,0,0|2,0,2]=4 47 B10R0.74 C/C=C/COCCC(=O)NC 34a_100000754576_100102629194 [0,0,0,0,0,0|2,0,2]=4 48 B10R0.74 C/C=C/COCCC(=O)NC 34a_100016270725_100012179268 [0,0,0,0,0,0|2,0,2]=4 49 B10R0.74 C/C=C/CSCCC(=O)NC 62a_100000737683_100102629194 [0,0,0,0,0,0|2,0,2]=4 50 B10R0.74 C/C=C/CSCCC(=O)NC 62a_100102629194_100000737683 [0,0,0,0,0,0|2,0,2]=4 51 B10R0.74 C=C(C#N)CNCCCCC 2230a_100000209983_100000694840 [0,0,0,0,0,0|4,0,0]=4 52 B10R0.74 C=C(C#N)COCCCCC 34a_100000210253_100000694840 [0,0,0,0,0,0|4,0,0]=4 53 B10R0.74 C=C(C#N)CSCCCCC 62a_100000210326_100000694840 [0,0,0,0,0,0|4,0,0]=4 54 B10R0.74 C=CC(=O)CCCCCC#N 1458a_100000185746_100009813376 [0,0,0,0,0,0|3,0,1]=4 55 B10R0.74 C=CC(=O)CCCCCCC 1458a_100000185746_100000210614 [0,0,0,0,0,0|2,0,0]=2 56 B10R0.74 C=CC(=O)CCCCCCF 1458a_100000185746_100015922095 [0,0,0,0,0,0|3,0,0]=3 57 B10R0.74 C=CC(=O)CCCCCCO 1458a_100000185746_100000766143 [0,0,0,0,0,0|3,0,0]=3 58 B10R0.74 C=CC(=O)CCOCCCC 1458a_100000185746_100000743108 [0,0,0,0,0,0|3,0,0]=3 59 B10R0.74 C=CC(=O)CCOCCOC 1458a_100000185746_100000695917 [0,0,0,0,0,0|4,0,0]=4 60 B10R0.74 C=CC(=O)NCCCCCC 1626a_100000210581_100000185746 [0,0,0,0,0,0|3,0,0]=3 61 B10R0.74 C=CC(=O)NCCCCCC 240690a_100000210581_200121576911 [0,0,0,0,0,0|3,0,0]=3 62 B10R0.74 C=CC(=O)NCCCCCO 240690a_100000762737_200121576911 [0,0,0,0,0,0|4,0,0]=4 63 B10R0.74 C=CC(=O)NCCCCOC 34a_100014118770_200000210301 [0,0,0,0,0,0|4,0,0]=4 64 B10R0.74 C=CC(=O)NCCCCO[13CH3] 34a_100014118770_200025704644 [0,0,0,0,0,0|4,0,0]=4 65 B10R0.74 C=CC(=O)NCCCOCC 1626a_100000210961_100000185746 [0,0,0,0,0,0|4,0,0]=4 66 B10R0.74 C=CC(=O)NCCCOCC 240690a_100000210961_200121576911 [0,0,0,0,0,0|4,0,0]=4 67 B10R0.74 C=CC(=O)NCCNCCC 2230a_114873766552_100000210303 [0,0,0,0,0,0|4,0,0]=4 68 B10R0.74 C=CC(=O)NCCOCCC 1626a_100161115042_100000185746 [0,0,0,0,0,0|4,0,0]=4 69 B10R0.74 C=CC(=O)NCCOCCC 240690a_100161115042_200121576911 [0,0,0,0,0,0|4,0,0]=4 70 B10R0.74 C=CC(=O)NCCOCCC 34a_100011304386_100000210303 [0,0,0,0,0,0|4,0,0]=4 71 B10R0.74 C=CC(=O)NCCSCCC 240690a_100020603323_200121576911 [0,0,0,0,0,0|4,0,0]=4 72 B10R0.74 C=CC(=O)NNCCCCC 22a_100000694160_100000185746 [0,0,0,0,0,0|4,0,0]=4 73 B10R0.74 C=CC(=O)OCCOCCC 34a_100000210258_100009813456 [0,0,0,0,0,0|4,0,0]=4 74 B10R0.74 C=CC(=O)OCCSCCC 62a_100000210303_100009813456 [0,0,0,0,0,0|4,0,0]=4 75 B10R0.74 C=CC(=O)OCCSCCC 62a_100009813456_100000210303 [0,0,0,0,0,0|4,0,0]=4 76 B10R0.74 C=CCCCCCC(=O)C=C 1458a_100000185746_100000700193 [0,0,0,0,0,0|2,0,2]=4 77 B10R0.74 C=CCCCCCC(=O)CC 1458a_100000210414_100000700193 [0,0,0,0,0,0|2,0,2]=4 78 B10R0.74 C=CCCCCCC(=O)CC 1458a_100011934241_100000210202 [0,0,0,0,0,0|2,0,2]=4 79 B10R0.74 C=CCCCCCC(=O)CF 1458a_100011934241_100015361967 [0,0,0,0,0,0|2,0,2]=4 80 B10R0.74 C=CCCCCCC(=O)CO 1458a_100000210174_100000700193 [0,0,0,0,0,0|1,0,2]=3 81 B10R0.74 C=CCCCCCC(=O)NC 11a_106832991635_100011934241 [0,0,0,0,0,0|1,0,2]=3 82 B10R0.74 C=CCCCCCC(=O)NC 1626a_100102657272_100011934241 [0,0,0,0,0,0|1,0,2]=3 83 B10R0.74 C=CCCCCCC(=O)NC 240690a_100102657272_100011934241 [0,0,0,0,0,0|1,0,2]=3 84 B10R0.74 C=CCCCCCC(=O)NC 527a_100102657272_100011934241 [0,0,0,0,0,0|1,0,2]=3 85 B10R0.74 C=CCCCCNC(=O)CO 240690a_100000703577_100000210174 [0,0,0,0,0,0|2,0,2]=4 86 B10R0.74 C=CCCCCNC(=O)CO 527a_100000703577_100000210174 [0,0,0,0,0,0|2,0,2]=4 87 B10R0.74 C=CCCCCNC(=O)NC 2708a_100000703577_106832991635 [0,0,0,0,0,0|2,0,2]=4 88 B10R0.74 C=CCCCCNC(=O)NC 2708a_100102657272_100000703577 [0,0,0,0,0,0|2,0,2]=4 89 B10R0.74 C=CCCCCNC(=O)NC 273464a_100000703577_100102657272 [0,0,0,0,0,0|2,0,2]=4 90 B10R0.74 C=CCCCCNC(=O)NC 273464a_100102657272_100000703577 [0,0,0,0,0,0|2,0,2]=4 91 B10R0.74 C=CCCCCNC(=O)NC 512a_100000703577_100102657272 [0,0,0,0,0,0|2,0,2]=4 92 B10R0.74 C=CCCCCNC(=O)NC 512a_106832991638_100000703577 [0,0,0,0,0,0|2,0,2]=4 93 B10R0.74 C=CCCCNCC(=O)NC 2230a_100000693194_100011713584 [0,0,0,0,0,0|2,0,2]=4 94 B10R0.74 C=CCCCNCC(=O)NC 2230a_100000700776_100000183359 [0,0,0,0,0,0|2,0,2]=4 95 B10R0.74 C=CCCCNCC(=O)NC 34a_100000700776_100000183359 [0,0,0,0,0,0|2,0,2]=4 96 B10R0.74 C=CCCCOCC(=O)NC 34a_100000750040_100000757094 [0,0,0,0,0,0|2,0,2]=4 97 B10R0.74 C=CCCCOCC(=O)NC 34a_100000758997_100000183359 [0,0,0,0,0,0|2,0,2]=4 98 B10R0.74 C=CCCCOCC(=O)NC 7a_100000758997_100000183359 [0,0,0,0,0,0|2,0,2]=4 99 B10R0.74 C=CCCCSCC(=O)NC 62a_100000183359_100000757094 [0,0,0,0,0,0|2,0,2]=4 100 B10R0.74 C=CCCCSCC(=O)NC 62a_100011713584_100000183359 [0,0,0,0,0,0|2,0,2]=4 101 B10R0.74 C=CCCNCCC(=O)NC 2230a_100000738227_100000754431 [0,0,0,0,0,0|2,0,2]=4 102 B10R0.74 C=CCCNCCC(=O)NC 2230a_100015191253_100000737683 [0,0,0,0,0,0|2,0,2]=4 103 B10R0.74 C=CCCNCCC(=O)NC 34a_100000738227_100000754431 [0,0,0,0,0,0|2,0,2]=4 104 B10R0.74 C=CCCOCCC(=O)NC 34a_100000754576_100000754431 [0,0,0,0,0,0|2,0,2]=4 105 B10R0.74 C=CCCOCCC(=O)NC 34a_100011205117_100012179268 [0,0,0,0,0,0|2,0,2]=4 106 B10R0.74 C=CCCSCCC(=O)NC 62a_100000737683_100000754431 [0,0,0,0,0,0|2,0,2]=4 107 B10R0.74 C=CCCSCCC(=O)NC 62a_100000754431_100000737683 [0,0,0,0,0,0|2,0,2]=4 108 B10R0.74 C=CCNCCCC(=O)NC 2230a_100000740002_100000210623 [0,0,0,0,0,0|2,0,2]=4 109 B10R0.74 C=CCNCCCC(=O)NC 2230a_100020586998_100000741757 [0,0,0,0,0,0|2,0,2]=4 110 B10R0.74 C=CCNCCCC(=O)NC 34a_100000740002_100015514636 [0,0,0,0,0,0|2,0,2]=4 111 B10R0.74 C=CCOCCCC(=O)NC 34a_200000210373_100000741757 [0,0,0,0,0,0|2,0,2]=4 112 B10R0.74 C=CCOCCCC(=O)NN 34a_100000211488_100015514636 [0,0,0,0,0,0|2,0,2]=4 113 B10R0.74 C=CCSCCCC(=O)NC 62a_100000210623_100000741757 [0,0,0,0,0,0|2,0,2]=4 114 B10R0.74 C=CCSCCCC(=O)NC 62a_100000741757_100000210623 [0,0,0,0,0,0|2,0,2]=4 115 B10R0.74 CC#CCCOCC(=O)NC 34a_100000750427_100000183359 [0,0,0,0,0,0|2,0,2]=4 116 B10R0.74 CC#CCNCCC(=O)NC 2230a_100000685387_100000737683 [0,0,0,0,0,0|2,0,2]=4 117 B10R0.74 CC#CCNCCC(=O)NC 2230a_100000738227_100000748600 [0,0,0,0,0,0|2,0,2]=4 118 B10R0.74 CC#CCNCCC(=O)NC 34a_100000685387_100012179268 [0,0,0,0,0,0|2,0,2]=4 119 B10R0.74 CC#CCNCCC(=O)NC 34a_100000738227_100000748600 [0,0,0,0,0,0|2,0,2]=4 120 B10R0.74 CC#CCOCCC(=O)NC 34a_100000754576_100000748600 [0,0,0,0,0,0|2,0,2]=4 121 B10R0.74 CC#CCOCCC(=O)NC 34a_100000761923_100012179268 [0,0,0,0,0,0|2,0,2]=4 122 B10R0.74 CC#CCSCCC(=O)NC 62a_100000737683_100000748600 [0,0,0,0,0,0|2,0,2]=4 123 B10R0.74 CC#CCSCCC(=O)NC 62a_100000748600_100000737683 [0,0,0,0,0,0|2,0,2]=4 124 B10R0.74 CC/C=C\CNCC(=O)NC 2230a_100000693194_100103147603 [0,0,0,0,0,0|2,0,2]=4 125 B10R0.74 CC/C=C\COCC(=O)NC 34a_100000750040_100103147603 [0,0,0,0,0,0|2,0,2]=4 126 B10R0.74 CC/C=C\COCC(=O)NC 34a_100016268518_100000183359 [0,0,0,0,0,0|2,0,2]=4 127 B10R0.74 CC/C=C\CSCC(=O)NC 62a_100000183359_100103147603 [0,0,0,0,0,0|2,0,2]=4 128 B10R0.74 CC/C=C\CSCC(=O)NC 62a_100103147603_100000183359 [0,0,0,0,0,0|2,0,2]=4 129 B10R0.74 CC=CCNCCC(=O)NC 2230a_100000738227_100000070051 [0,0,0,0,0,0|2,0,2]=4 130 B10R0.74 CC=CCNCCC(=O)NC 34a_100000738227_100000070051 [0,0,0,0,0,0|2,0,2]=4 131 B10R0.74 CC=CCOCCC(=O)NC 34a_100000754576_100000070051 [0,0,0,0,0,0|2,0,2]=4 132 B10R0.74 CC=CCSCCC(=O)NC 62a_100000070051_100000737683 [0,0,0,0,0,0|2,0,2]=4 133 B10R0.74 CC=CCSCCC(=O)NC 62a_100000737683_100000070051 [0,0,0,0,0,0|2,0,2]=4 134 B10R0.74 CCC#CCNCC(=O)NC 2230a_100000693194_100009813939 [0,0,0,0,0,0|2,0,2]=4 135 B10R0.74 CCC#CCOCC(=O)NC 34a_100000032950_100000183359 [0,0,0,0,0,0|2,0,2]=4 136 B10R0.74 CCC#CCOCC(=O)NC 34a_100000750040_100009813939 [0,0,0,0,0,0|2,0,2]=4 137 B10R0.74 CCC#CCSCC(=O)NC 62a_100000183359_100009813939 [0,0,0,0,0,0|2,0,2]=4 138 B10R0.74 CCC#CCSCC(=O)NC 62a_100009813939_100000183359 [0,0,0,0,0,0|2,0,2]=4 139 B10R0.74 CCC(=O)CCCCCC#N 1458a_100000210414_100009813376 [0,0,0,0,0,0|3,0,1]=4 140 B10R0.74 CCC(=O)CCCCCCF 1458a_100000210414_100015922095 [0,0,0,0,0,0|3,0,0]=3 141 B10R0.74 CCC(=O)CCCCCCO 1458a_100000210414_100000766143 [0,0,0,0,0,0|3,0,0]=3 142 B10R0.74 CCC(=O)CCCCCCO 1458a_100011996774_100000210202 [0,0,0,0,0,0|3,0,0]=3 143 B10R0.74 CCC(=O)CCCCCOC 1458a_100011935119_100000210202 [0,0,0,0,0,0|3,0,0]=3 144 B10R0.74 CCC(=O)CCOCCOC 1458a_100000210414_100000695917 [0,0,0,0,0,0|4,0,0]=4 145 B10R0.74 CCC(=O)CCOCCOC 1458a_100000745395_100000210202 [0,0,0,0,0,0|4,0,0]=4 146 B10R0.74 CCC(=O)COCCCCCl 7a_100000210776_100000747405 [0,0,0,0,0,0|4,0,0]=4 147 B10R0.74 CCC(=O)COCCCCF 34a_100000725409_100000729493 [0,0,0,0,0,0|4,0,0]=4 148 B10R0.74 CCC(=O)COCCCCF 7a_100011995726_100000747405 [0,0,0,0,0,0|4,0,0]=4 149 B10R0.74 CCC(=O)COCCCCO 34a_100000725409_100011216708 [0,0,0,0,0,0|4,0,0]=4 150 B10R0.74 CCC(=O)COCCCOC 34a_100000725409_100000740836 [0,0,0,0,0,0|4,0,0]=4 151 B10R0.74 CCC(=O)COCCCSC 7a_100000690336_100000747405 [0,0,0,0,0,0|4,0,0]=4 152 B10R0.74 CCC(=O)CSCCCCF 62a_100000729493_100000747405 [0,0,0,0,0,0|4,0,0]=4 153 B10R0.74 CCC(=O)CSCCCCF 62a_100000747405_100000729493 [0,0,0,0,0,0|4,0,0]=4 154 B10R0.74 CCC(=O)CSCCCCO 62a_100000210776_100000747405 [0,0,0,0,0,0|4,0,0]=4 155 B10R0.74 CCC(=O)CSCCCCO 62a_100000747405_100000210776 [0,0,0,0,0,0|4,0,0]=4 156 B10R0.74 CCC(=O)CSCCCOC 62a_100000709357_100000747405 [0,0,0,0,0,0|4,0,0]=4 157 B10R0.74 CCC(=O)CSCCCOC 62a_100000747405_100000709357 [0,0,0,0,0,0|4,0,0]=4 158 B10R0.74 CCC(=O)NCCCCCO 240690a_100000762737_100000210414 [0,0,0,0,0,0|4,0,0]=4 159 B10R0.74 CCCC/C=C/CC(=O)CC 1458a_200016282684_100000210202 [0,0,0,0,0,0|2,0,2]=4 160 B10R0.74 CCCC/C=C/CC(=O)CF 1458a_200016282684_100015361967 [0,0,0,0,0,0|2,0,2]=4 161 B10R0.74 CCCC/C=C/CC(=O)NC 11a_106832991635_200016282684 [0,0,0,0,0,0|1,0,2]=3 162 B10R0.74 CCCC/C=C/CC(=O)NC 1626a_100102657272_200016282684 [0,0,0,0,0,0|1,0,2]=3 163 B10R0.74 CCCC/C=C/CC(=O)NC 240690a_100102657272_200016282684 [0,0,0,0,0,0|1,0,2]=3 164 B10R0.74 CCCC/C=C/CC(=O)NC 527a_100102657272_200016282684 [0,0,0,0,0,0|1,0,2]=3 165 B10R0.74 CCCCCC#CC(=O)CC 1458a_100011215388_100000210202 [0,0,0,0,0,0|2,0,2]=4 166 B10R0.74 CCCCCC#CC(=O)CF 1458a_100011215388_100015361967 [0,0,0,0,0,0|2,0,2]=4 167 B10R0.74 CCCCCC#CC(=O)NC 240690a_100102657272_100011215388 [0,0,0,0,0,0|1,0,2]=3 168 B10R0.74 CCCCCC=CC(=O)CC 1458a_100016263427_100000210202 [0,0,0,0,0,0|2,0,2]=4 169 B10R0.74 CCCCCC=CC(=O)CF 1458a_100016263427_100015361967 [0,0,0,0,0,0|2,0,2]=4 170 B10R0.74 CCCCCC=CC(=O)NC 11a_106832991635_100016263427 [0,0,0,0,0,0|1,0,2]=3 171 B10R0.74 CCCCCC=CC(=O)NC 1626a_100102657272_100016263427 [0,0,0,0,0,0|1,0,2]=3 172 B10R0.74 CCCCCC=CC(=O)NC 240690a_100102657272_100016263427 [0,0,0,0,0,0|1,0,2]=3 173 B10R0.74 CCCCCCCC(=O)CC 1458a_100000210414_100000210614 [0,0,0,0,0,0|2,0,0]=2 174 B10R0.74 CCCCCCCC(=O)CC 1458a_100000211969_100000210202 [0,0,0,0,0,0|2,0,0]=2 175 B10R0.74 CCCCCCCC(=O)CF 1458a_100000211969_100015361967 [0,0,0,0,0,0|2,0,0]=2 176 B10R0.74 CCCCCCCC(=O)CO 1458a_100000210174_100000210614 [0,0,0,0,0,0|1,0,0]=1 177 B10R0.74 CCCCCCCC(=O)NC 11a_106832991635_100000211969 [0,0,0,0,0,0|1,0,0]=1 178 B10R0.74 CCCCCCCC(=O)NC 1626a_100102657272_100000211969 [0,0,0,0,0,0|1,0,0]=1 179 B10R0.74 CCCCCCCC(=O)NC 240690a_100102657272_100000211969 [0,0,0,0,0,0|1,0,0]=1 180 B10R0.74 CCCCCCCC(=O)NC 527a_100102657272_100000211969 [0,0,0,0,0,0|1,0,0]=1 181 B10R0.74 CCCCCCCC(C)NC 2230a_106832991635_200011218727 [0,0,0,0,0,0|2,0,1]=3 182 B10R0.74 CCCCCCCC(C)NC 270004a_106832991635_100000210596 [0,0,0,0,0,0|2,0,1]=3 183 B10R0.74 CCCCCCCC(C)NC 34a_100102657272_200011218727 [0,0,0,0,0,0|2,0,1]=3 184 B10R0.74 CCCCCCCC(C)NC 7a_106832991635_200011218727 [0,0,0,0,0,0|2,0,1]=3 185 B10R0.74 CCCCCCCC(C)OC 34a_100138415774_200011218727 [0,0,0,0,0,0|3,0,1]=4 186 B10R0.74 CCCCCCCC(C)OC 34a_200011215852_200000210301 [0,0,0,0,0,0|3,0,1]=4 187 B10R0.74 CCCCCCCC(C)OC 7a_200011215852_200000210301 [0,0,0,0,0,0|3,0,1]=4 188 B10R0.74 CCCCCCCC(C)O[13CH3] 34a_200011215852_200025704644 [0,0,0,0,0,0|3,0,1]=4 189 B10R0.74 CCCCCCCC(C)O[13CH3] 7a_200011215852_200025704644 [0,0,0,0,0,0|3,0,1]=4 190 B10R0.74 CCCCCCCC(C)SC 62a_200000210301_200011218727 [0,0,0,0,0,0|3,0,1]=4 191 B10R0.74 CCCCCCCC(C)SC 62a_200011218727_200000210301 [0,0,0,0,0,0|3,0,1]=4 192 B10R0.74 CCCCCCCC(C)S[13CH3] 62a_200011218727_200025704644 [0,0,0,0,0,0|3,0,1]=4 193 B10R0.74 CCCCCCCC(C)S[13CH3] 62a_200025704644_200011218727 [0,0,0,0,0,0|3,0,1]=4 194 B10R0.74 CCCCCCCN(C)CC 2230a_100000225621_100000210681 [0,0,0,0,0,0|4,0,0]=4 195 B10R0.74 CCCCCCCN(C)CC 2230a_100000228206_100000210202 [0,0,0,0,0,0|4,0,0]=4 196 B10R0.74 CCCCCCCN(C)CC 2230a_100000228213_200000210301 [0,0,0,0,0,0|4,0,0]=4 197 B10R0.74 CCCCCCCN(C)CC 269982a_100000225621_100000210681 [0,0,0,0,0,0|4,0,0]=4 198 B10R0.74 CCCCCCCN(C)CC 269982a_100000228206_100000204670 [0,0,0,0,0,0|4,0,0]=4 199 B10R0.74 CCCCCCCN(C)CC 269982a_100000228213_200000210301 [0,0,0,0,0,0|4,0,0]=4 200 B10R0.74 CCCCCCCN(C)CF 269982a_100000228206_100015361967 [0,0,0,0,0,0|4,0,0]=4 201 B10R0.74 CCCCCCCN([13CH3])CC 2230a_100000228213_200025704644 [0,0,0,0,0,0|4,0,0]=4 202 B10R0.74 CCCCCCCN([13CH3])CC 269982a_100000228213_200025704644 [0,0,0,0,0,0|4,0,0]=4 203 B10R0.74 CCCCCCNC(=O)CC 11a_100000210581_100000210414 [0,0,0,0,0,0|3,0,0]=3 204 B10R0.74 CCCCCCNC(=O)CC 1626a_100000210581_100000210414 [0,0,0,0,0,0|3,0,0]=3 205 B10R0.74 CCCCCCNC(=O)CC 240690a_100000210581_100000210414 [0,0,0,0,0,0|3,0,0]=3 206 B10R0.74 CCCCCCNC(=O)CC 527a_100000210581_100000210414 [0,0,0,0,0,0|3,0,0]=3 207 B10R0.74 CCCCCCNC(=O)CO 240690a_100000210581_100000210174 [0,0,0,0,0,0|2,0,0]=2 208 B10R0.74 CCCCCCNC(=O)CO 527a_100000210581_100000210174 [0,0,0,0,0,0|2,0,0]=2 209 B10R0.74 CCCCCCNC(=O)NC 2708a_100000210581_106832991635 [0,0,0,0,0,0|2,0,0]=2 210 B10R0.74 CCCCCCNC(=O)NC 2708a_100102657272_100000210581 [0,0,0,0,0,0|2,0,0]=2 211 B10R0.74 CCCCCCNC(=O)NC 273464a_100000210581_100102657272 [0,0,0,0,0,0|2,0,0]=2 212 B10R0.74 CCCCCCNC(=O)NC 273464a_100102657272_100000210581 [0,0,0,0,0,0|2,0,0]=2 213 B10R0.74 CCCCCCNC(=O)NC 512a_100000210581_100102657272 [0,0,0,0,0,0|2,0,0]=2 214 B10R0.74 CCCCCCNC(=O)NC 512a_106832991638_100000210581 [0,0,0,0,0,0|2,0,0]=2 215 B10R0.74 CCCCCCNC(C)CO 2230a_100000210581_100012180447 [0,0,0,0,0,0|3,0,1]=4 216 B10R0.74 CCCCCCN[C@H](C)CO 2230a_100000737577_100000210314 [0,0,0,0,0,0|3,0,1]=4 217 B10R0.74 CCCCCCOC(C)CO 34a_100000210259_100012180447 [0,0,0,0,0,0|3,0,1]=4 218 B10R0.74 CCCCCCOC(C)CO 7a_100000210259_100012180447 [0,0,0,0,0,0|3,0,1]=4 219 B10R0.74 CCCCCCSC(C)CO 62a_100012180447_100000210757 [0,0,0,0,0,0|3,0,1]=4 220 B10R0.74 CCCCCCS[C@H](C)CO 62a_100000210314_100016084084 [0,0,0,0,0,0|3,0,1]=4 221 B10R0.74 CCCCCCS[C@H](C)CO 62a_100016084084_100000210757 [0,0,0,0,0,0|3,0,1]=4 222 B10R0.74 CCCCCNCC(=O)NC 2230a_100000209983_100000183359 [0,0,0,0,0,0|2,0,0]=2 223 B10R0.74 CCCCCNCC(=O)NC 2230a_100000693194_100000210326 [0,0,0,0,0,0|2,0,0]=2 224 B10R0.74 CCCCCNCC(=O)OC 2230a_100000209983_100000747449 [0,0,0,0,0,0|3,0,0]=3 225 B10R0.74 CCCCCNCC(C)CO 34a_100000744482_100000718602 [0,0,0,0,0,0|3,0,1]=4 226 B10R0.74 CCCCCNCC(O)CO 2230a_100000209983_100011219619 [0,0,0,0,0,0|2,0,2]=4 227 B10R0.74 CCCCCNC[C@@H](C)CO 2230a_100000209983_100000059175 [0,0,0,0,0,0|3,0,1]=4 228 B10R0.74 CCCCCNC[C@@H](F)CO 34a_100015665980_100000718602 [0,0,0,0,0,0|3,0,1]=4 229 B10R0.74 CCCCCNC[C@@H](O)CO 2230a_100000209983_100009815848 [0,0,0,0,0,0|2,0,2]=4 230 B10R0.74 CCCCCNC[C@H](O)CO 2230a_100020644852_100000210326 [0,0,0,0,0,0|2,0,2]=4 231 B10R0.74 CCCCCNN=C(C)CO 4a_100000694160_100000211253 [0,0,0,0,0,0|4,0,0]=4 232 B10R0.74 CCCCCNNC(=O)CC 22a_100000694160_100000210414 [0,0,0,0,0,0|4,0,0]=4 233 B10R0.74 CCCCCNNC(=O)CO 22a_100000694160_100000210174 [0,0,0,0,0,0|3,0,0]=3 234 B10R0.74 CCCCCNNC(=O)NC 273464a_100102657272_100000694160 [0,0,0,0,0,0|3,0,0]=3 235 B10R0.74 CCCCCNNC(=O)NC 512a_100000694160_100102657272 [0,0,0,0,0,0|3,0,0]=3 236 B10R0.74 CCCCCNNC(=O)NC 512a_106832991638_100000694160 [0,0,0,0,0,0|3,0,0]=3 237 B10R0.74 CCCCCOCC(=O)CC 34a_100000725409_100000718602 [0,0,0,0,0,0|3,0,0]=3 238 B10R0.74 CCCCCOCC(=O)CC 7a_100000210253_100000747405 [0,0,0,0,0,0|3,0,0]=3 239 B10R0.74 CCCCCOCC(=O)NC 34a_100000210253_100000183359 [0,0,0,0,0,0|2,0,0]=2 240 B10R0.74 CCCCCOCC(=O)NC 34a_100000750040_100000718602 [0,0,0,0,0,0|2,0,0]=2 241 B10R0.74 CCCCCOCC(=O)NC 7a_100000210253_100000183359 [0,0,0,0,0,0|2,0,0]=2 242 B10R0.74 CCCCCOCC(=O)OC 34a_100000210253_100000747449 [0,0,0,0,0,0|3,0,0]=3 243 B10R0.74 CCCCCOCC(=O)OC 7a_100000210253_100000747449 [0,0,0,0,0,0|3,0,0]=3 244 B10R0.74 CCCCCOCC(O)CO 34a_100000210253_100011219619 [0,0,0,0,0,0|2,0,2]=4 245 B10R0.74 CCCCCOCC(O)CO 7a_100000210253_100011219619 [0,0,0,0,0,0|2,0,2]=4 246 B10R0.74 CCCCCOC[C@@H](C)CO 34a_100000210253_100000059175 [0,0,0,0,0,0|3,0,1]=4 247 B10R0.74 CCCCCOC[C@@H](C)CO 7a_100000210253_100000059175 [0,0,0,0,0,0|3,0,1]=4 248 B10R0.74 CCCCCOC[C@@H](O)CO 34a_100000210253_100009815848 [0,0,0,0,0,0|2,0,2]=4 249 B10R0.74 CCCCCOC[C@@H](O)CO 7a_100000210253_100009815848 [0,0,0,0,0,0|2,0,2]=4 250 B10R0.74 CCCCCSCC(=O)CC 62a_100000210326_100000747405 [0,0,0,0,0,0|3,0,0]=3 251 B10R0.74 CCCCCSCC(=O)CC 62a_100000747405_100000210326 [0,0,0,0,0,0|3,0,0]=3 252 B10R0.74 CCCCCSCC(=O)NC 62a_100000183359_100000210326 [0,0,0,0,0,0|2,0,0]=2 253 B10R0.74 CCCCCSCC(=O)NC 62a_100000210326_100000183359 [0,0,0,0,0,0|2,0,0]=2 254 B10R0.74 CCCCCSCC(=O)OC 62a_100000210326_100000747449 [0,0,0,0,0,0|3,0,0]=3 255 B10R0.74 CCCCCSCC(=O)OC 62a_100000747449_100000210326 [0,0,0,0,0,0|3,0,0]=3 256 B10R0.74 CCCCCSCC(O)CO 62a_100000210326_100011219619 [0,0,0,0,0,0|2,0,2]=4 257 B10R0.74 CCCCCSCC(O)CO 62a_100011219619_100000210326 [0,0,0,0,0,0|2,0,2]=4 258 B10R0.74 CCCCCSC[C@@H](C)CO 62a_100000059175_100000210326 [0,0,0,0,0,0|3,0,1]=4 259 B10R0.74 CCCCCSC[C@@H](C)CO 62a_100000210326_100000059175 [0,0,0,0,0,0|3,0,1]=4 260 B10R0.74 CCCCCSC[C@@H](O)CO 62a_100000210326_100009815848 [0,0,0,0,0,0|2,0,2]=4 261 B10R0.74 CCCCCSC[C@@H](O)CO 62a_100009815848_100000210326 [0,0,0,0,0,0|2,0,2]=4 262 B10R0.74 CCCCNCCC(=O)NC 2230a_100000102301_100000737683 [0,0,0,0,0,0|2,0,0]=2 263 B10R0.74 CCCCNCCC(=O)NC 2230a_100000738227_100000210211 [0,0,0,0,0,0|2,0,0]=2 264 B10R0.74 CCCCNCCC(=O)NC 34a_100000738227_100000210210 [0,0,0,0,0,0|2,0,0]=2 265 B10R0.74 CCCCNCCC(=O)NC 7a_106832991798_100000737683 [0,0,0,0,0,0|2,0,0]=2 266 B10R0.74 CCCCNCCC(=O)OC 2230a_100000102301_100000204255 [0,0,0,0,0,0|3,0,0]=3 267 B10R0.74 CCCCNCCC(=O)OC 7a_106832991798_100000204255 [0,0,0,0,0,0|3,0,0]=3 268 B10R0.74 CCCCNCCC(C)CO 2230a_106354213184_100000210211 [0,0,0,0,0,0|3,0,1]=4 269 B10R0.74 CCCCNCCC(C)CO 34a_106354213184_100000210210 [0,0,0,0,0,0|3,0,1]=4 270 B10R0.74 CCCCOCCC(=NO)N 34a_100000749954_100000210210 [0,0,0,0,0,0|2,0,1]=3 271 B10R0.74 CCCCOCCC(=O)CC 1458a_100000210414_100000743108 [0,0,0,0,0,0|3,0,0]=3 272 B10R0.74 CCCCOCCC(=O)CO 1458a_100000210174_100000743108 [0,0,0,0,0,0|2,0,0]=2 273 B10R0.74 CCCCOCCC(=O)NC 34a_100000210227_100012179268 [0,0,0,0,0,0|2,0,0]=2 274 B10R0.74 CCCCOCCC(=O)NC 34a_100000754576_100000210210 [0,0,0,0,0,0|2,0,0]=2 275 B10R0.74 CCCCOCCC(=O)NC 7a_100000210227_100000737683 [0,0,0,0,0,0|2,0,0]=2 276 B10R0.74 CCCCOCCC(=O)OC 34a_100000210227_100000742370 [0,0,0,0,0,0|3,0,0]=3 277 B10R0.74 CCCCOCCC(=O)OC 7a_100000210227_100000204255 [0,0,0,0,0,0|3,0,0]=3 278 B10R0.74 CCCCSCCC(=O)NC 62a_100000210211_100000737683 [0,0,0,0,0,0|2,0,0]=2 279 B10R0.74 CCCCSCCC(=O)NC 62a_100000737683_100000210210 [0,0,0,0,0,0|2,0,0]=2 280 B10R0.74 CCCCSCCC(=O)OC 62a_100000204255_100000210210 [0,0,0,0,0,0|3,0,0]=3 281 B10R0.74 CCCCSCCC(=O)OC 62a_100000210211_100000204255 [0,0,0,0,0,0|3,0,0]=3 282 B10R0.74 CCCCSCOC(=O)OC 62a_100000210211_100000139417 [0,0,0,0,0,0|4,0,0]=4 283 B10R0.74 CCCNCCCC(=O)NC 2230a_100000740002_100000210303 [0,0,0,0,0,0|2,0,0]=2 284 B10R0.74 CCCNCCCC(=O)NC 34a_100000740002_100000210303 [0,0,0,0,0,0|2,0,0]=2 285 B10R0.74 CCCNCCNC(=O)CC 34a_100132302217_100000210303 [0,0,0,0,0,0|4,0,0]=4 286 B10R0.74 CCCNCCNC(=O)NC 34a_100015205895_100000210303 [0,0,0,0,0,0|3,0,0]=3 287 B10R0.74 CCCOCCCC(=O)NC 34a_100000210258_100000741757 [0,0,0,0,0,0|2,0,0]=2 288 B10R0.74 CCCOCCCC(=O)NN 34a_100000211488_100000210303 [0,0,0,0,0,0|2,0,0]=2 289 B10R0.74 CCCOCCCC(=O)OC 34a_100000210258_100000742333 [0,0,0,0,0,0|3,0,0]=3 290 B10R0.74 CCCOCCNC(=O)CC 1626a_100161115042_100000210414 [0,0,0,0,0,0|4,0,0]=4 291 B10R0.74 CCCOCCNC(=O)CC 240690a_100161115042_100000210414 [0,0,0,0,0,0|4,0,0]=4 292 B10R0.74 CCCOCCNC(=O)CC 34a_200000158885_100000210303 [0,0,0,0,0,0|4,0,0]=4 293 B10R0.74 CCCOCCNC(=O)CC 527a_100161115042_100000210414 [0,0,0,0,0,0|4,0,0]=4 294 B10R0.74 CCCOCCNC(=O)CC 7a_200000158885_100000210303 [0,0,0,0,0,0|4,0,0]=4 295 B10R0.74 CCCOCCNC(=O)CO 240690a_100161115042_100000210174 [0,0,0,0,0,0|3,0,0]=3 296 B10R0.74 CCCOCCNC(=O)CO 527a_100161115042_100000210174 [0,0,0,0,0,0|3,0,0]=3 297 B10R0.74 CCCOCCNC(=O)NC 2708a_100102657272_100161115042 [0,0,0,0,0,0|3,0,0]=3 298 B10R0.74 CCCOCCNC(=O)NC 2708a_100161115042_106832991635 [0,0,0,0,0,0|3,0,0]=3 299 B10R0.74 CCCOCCNC(=O)NC 273464a_100102657272_100161115042 [0,0,0,0,0,0|3,0,0]=3 300 B10R0.74 CCCOCCNC(=O)NC 273464a_100161115042_100102657272 [0,0,0,0,0,0|3,0,0]=3 301 B10R0.74 CCCOCCNC(=O)NC 512a_100161115042_100102657272 [0,0,0,0,0,0|3,0,0]=3 302 B10R0.74 CCCOCCNC(=O)NC 512a_106832991638_100161115042 [0,0,0,0,0,0|3,0,0]=3 303 B10R0.74 CCCOCCNC(=O)OC 34a_100000757965_100000210303 [0,0,0,0,0,0|4,0,0]=4 304 B10R0.74 CCCOCCOC(=O)CC 7a_200000031056_100000210303 [0,0,0,0,0,0|4,0,0]=4 305 B10R0.74 CCCOCCOC(=O)NC 34a_100000210258_200011997002 [0,0,0,0,0,0|3,0,0]=3 306 B10R0.74 CCCOCCOC(=O)OC 34a_100010262106_100000210303 [0,0,0,0,0,0|4,0,0]=4 307 B10R0.74 CCCSCCCC(=O)NC 62a_100000210303_100000741757 [0,0,0,0,0,0|2,0,0]=2 308 B10R0.74 CCCSCCCC(=O)NC 62a_100000741757_100000210303 [0,0,0,0,0,0|2,0,0]=2 309 B10R0.74 CCCSCCCC(=O)OC 62a_100000210303_100011218270 [0,0,0,0,0,0|3,0,0]=3 310 B10R0.74 CCCSCCCC(=O)OC 62a_100011218270_100000210303 [0,0,0,0,0,0|3,0,0]=3 311 B10R0.74 CCCSCCNC(=O)CC 11a_100020603323_100000210414 [0,0,0,0,0,0|4,0,0]=4 312 B10R0.74 CCCSCCNC(=O)CC 240690a_100020603323_100000210414 [0,0,0,0,0,0|4,0,0]=4 313 B10R0.74 CCCSCCNC(=O)CC 527a_100020603323_100000210414 [0,0,0,0,0,0|4,0,0]=4 314 B10R0.74 CCCSCCNC(=O)CO 240690a_100020603323_100000210174 [0,0,0,0,0,0|3,0,0]=3 315 B10R0.74 CCCSCCNC(=O)CO 527a_100020603323_100000210174 [0,0,0,0,0,0|3,0,0]=3 316 B10R0.74 CCCSCCNC(=O)NC 2708a_100020603323_106832991635 [0,0,0,0,0,0|3,0,0]=3 317 B10R0.74 CCCSCCNC(=O)NC 2708a_100102657272_100020603323 [0,0,0,0,0,0|3,0,0]=3 318 B10R0.74 CCCSCCNC(=O)NC 273464a_100020603323_100102657272 [0,0,0,0,0,0|3,0,0]=3 319 B10R0.74 CCCSCCNC(=O)NC 273464a_100102657272_100020603323 [0,0,0,0,0,0|3,0,0]=3 320 B10R0.74 CCCSCCNC(=O)NC 512a_100020603323_100102657272 [0,0,0,0,0,0|3,0,0]=3 321 B10R0.74 CCCSCCNC(=O)NC 512a_106832991638_100020603323 [0,0,0,0,0,0|3,0,0]=3 322 B10R0.74 CCCSCCOC(=O)NC 62a_100000210303_200011997002 [0,0,0,0,0,0|3,0,0]=3 323 B10R0.74 CCCSCCOC(=O)NC 62a_200011997002_100000210303 [0,0,0,0,0,0|3,0,0]=3 324 B10R0.74 CCNCCCCC(=O)OC 2230a_100015525214_100000204269 [0,0,0,0,0,0|3,0,0]=3 325 B10R0.74 CCNCCOCC(=O)OC 2230a_100015525214_100000090808 [0,0,0,0,0,0|4,0,0]=4 326 B10R0.74 CCOCCCCC(=O)OC 34a_100000059025_100000210202 [0,0,0,0,0,0|3,0,0]=3 327 B10R0.74 CCOCCCCC(=O)OC 34a_100121572206_100000204269 [0,0,0,0,0,0|3,0,0]=3 328 B10R0.74 CCOCCCCC(=O)OC 7a_100000059025_100000210202 [0,0,0,0,0,0|3,0,0]=3 329 B10R0.74 CCOCCCNC(=O)CC 11a_100000210961_100000210414 [0,0,0,0,0,0|4,0,0]=4 330 B10R0.74 CCOCCCNC(=O)CC 1626a_100000210961_100000210414 [0,0,0,0,0,0|4,0,0]=4 331 B10R0.74 CCOCCCNC(=O)CC 240690a_100000210961_100000210414 [0,0,0,0,0,0|4,0,0]=4 332 B10R0.74 CCOCCCNC(=O)CC 527a_100000210961_100000210414 [0,0,0,0,0,0|4,0,0]=4 333 B10R0.74 CCOCCCNC(=O)CO 240690a_100000210961_100000210174 [0,0,0,0,0,0|3,0,0]=3 334 B10R0.74 CCOCCCNC(=O)CO 527a_100000210961_100000210174 [0,0,0,0,0,0|3,0,0]=3 335 B10R0.74 CCOCCCNC(=O)NC 2708a_100000210961_106832991635 [0,0,0,0,0,0|3,0,0]=3 336 B10R0.74 CCOCCCNC(=O)NC 2708a_100102657272_100000210961 [0,0,0,0,0,0|3,0,0]=3 337 B10R0.74 CCOCCCNC(=O)NC 273464a_100000210961_100102657272 [0,0,0,0,0,0|3,0,0]=3 338 B10R0.74 CCOCCCNC(=O)NC 273464a_100102657272_100000210961 [0,0,0,0,0,0|3,0,0]=3 339 B10R0.74 CCOCCCNC(=O)NC 512a_100000210961_100102657272 [0,0,0,0,0,0|3,0,0]=3 340 B10R0.74 CCOCCCNC(=O)NC 512a_106832991638_100000210961 [0,0,0,0,0,0|3,0,0]=3 341 B10R0.74 CCOCCNCC(=O)NC 2230a_100000693194_100011215890 [0,0,0,0,0,0|3,0,0]=3 342 B10R0.74 CCOCCNCC(=O)NC 2230a_102516460346_100000183359 [0,0,0,0,0,0|3,0,0]=3 343 B10R0.74 CCOCCNCC(=O)NC 34a_102516460346_100000183359 [0,0,0,0,0,0|3,0,0]=3 344 B10R0.74 CCOCCNCC(=O)OC 2230a_102516460346_100000747449 [0,0,0,0,0,0|4,0,0]=4 345 B10R0.74 CCOCCNCC(=O)OC 34a_102516460346_100000747449 [0,0,0,0,0,0|4,0,0]=4 346 B10R0.74 CCOCCNNC(=O)CO 22a_100000732670_100000210174 [0,0,0,0,0,0|4,0,0]=4 347 B10R0.74 CCOCCNNC(=O)NC 273464a_100102657272_100000732670 [0,0,0,0,0,0|4,0,0]=4 348 B10R0.74 CCOCCNNC(=O)NC 512a_100000732670_100102657272 [0,0,0,0,0,0|4,0,0]=4 349 B10R0.74 CCOCCNNC(=O)NC 512a_106832991638_100000732670 [0,0,0,0,0,0|4,0,0]=4 350 B10R0.74 CCOCCOCC(=O)CC 34a_100000725409_100000210147 [0,0,0,0,0,0|4,0,0]=4 351 B10R0.74 CCOCCOCC(=O)CC 7a_100000210136_100000747405 [0,0,0,0,0,0|4,0,0]=4 352 B10R0.74 CCOCCOCC(=O)NC 34a_100000210136_100000183359 [0,0,0,0,0,0|3,0,0]=3 353 B10R0.74 CCOCCOCC(=O)NC 34a_100000750040_100000210147 [0,0,0,0,0,0|3,0,0]=3 354 B10R0.74 CCOCCOCC(=O)NC 7a_100000210136_100000183359 [0,0,0,0,0,0|3,0,0]=3 355 B10R0.74 CCOCCOCC(=O)OC 34a_100000210136_100000747449 [0,0,0,0,0,0|4,0,0]=4 356 B10R0.74 CCOCCOCC(=O)OC 34a_100121572206_100000090808 [0,0,0,0,0,0|4,0,0]=4 357 B10R0.74 CCOCCOCC(=O)OC 7a_100000210136_100000747449 [0,0,0,0,0,0|4,0,0]=4 358 B10R0.74 CCOCCSCC(=O)CC 62a_100000210147_100000747405 [0,0,0,0,0,0|4,0,0]=4 359 B10R0.74 CCOCCSCC(=O)CC 62a_100000747405_100011215890 [0,0,0,0,0,0|4,0,0]=4 360 B10R0.74 CCOCCSCC(=O)NC 62a_100000183359_100011215890 [0,0,0,0,0,0|3,0,0]=3 361 B10R0.74 CCOCCSCC(=O)NC 62a_100000210147_100000183359 [0,0,0,0,0,0|3,0,0]=3 362 B10R0.74 CCOCCSCC(=O)OC 62a_100000210147_100000747449 [0,0,0,0,0,0|4,0,0]=4 363 B10R0.74 CCOCCSCC(=O)OC 62a_100000747449_100011215890 [0,0,0,0,0,0|4,0,0]=4 364 B10R0.74 CCOCSCCC(=O)NC 62a_100000737683_100000739092 [0,0,0,0,0,0|3,0,0]=3 365 B10R0.74 CCOCSCCC(=O)NC 62a_100000739092_100000737683 [0,0,0,0,0,0|3,0,0]=3 366 B10R0.74 CCOCSCCC(=O)OC 62a_100000204255_100000739092 [0,0,0,0,0,0|4,0,0]=4 367 B10R0.74 CCOCSCCC(=O)OC 62a_100000739092_100000204255 [0,0,0,0,0,0|4,0,0]=4 368 B10R0.74 CCSCCCCC(=O)OC 62a_100000204269_100000210202 [0,0,0,0,0,0|3,0,0]=3 369 B10R0.74 CCSCCCCC(=O)OC 62a_100000210202_100000204269 [0,0,0,0,0,0|3,0,0]=3 370 B10R0.74 CCSCCNCC(=O)NC 2230a_100000106463_100000183359 [0,0,0,0,0,0|3,0,0]=3 371 B10R0.74 CCSCCNCC(=O)NC 2230a_100000693194_100000757381 [0,0,0,0,0,0|3,0,0]=3 372 B10R0.74 CCSCCNCC(=O)OC 2230a_100000106463_100000747449 [0,0,0,0,0,0|4,0,0]=4 373 B10R0.74 CCSCCOCC(=O)CC 34a_100000725409_100000757381 [0,0,0,0,0,0|4,0,0]=4 374 B10R0.74 CCSCCOCC(=O)CC 7a_100000212035_100000747405 [0,0,0,0,0,0|4,0,0]=4 375 B10R0.74 CCSCCOCC(=O)NC 34a_100000212035_100000183359 [0,0,0,0,0,0|3,0,0]=3 376 B10R0.74 CCSCCOCC(=O)NC 34a_100000750040_100000757381 [0,0,0,0,0,0|3,0,0]=3 377 B10R0.74 CCSCCOCC(=O)NC 7a_100000212035_100000183359 [0,0,0,0,0,0|3,0,0]=3 378 B10R0.74 CCSCCOCC(=O)OC 34a_100000212035_100000747449 [0,0,0,0,0,0|4,0,0]=4 379 B10R0.74 CCSCCOCC(=O)OC 62a_100000090808_100000210202 [0,0,0,0,0,0|4,0,0]=4 380 B10R0.74 CCSCCOCC(=O)OC 62a_100000210202_100000090808 [0,0,0,0,0,0|4,0,0]=4 381 B10R0.74 CCSCCOCC(=O)OC 7a_100000212035_100000747449 [0,0,0,0,0,0|4,0,0]=4 382 B10R0.74 CCSCCSCC(=O)CC 62a_100000747405_100000757381 [0,0,0,0,0,0|4,0,0]=4 383 B10R0.74 CCSCCSCC(=O)CC 62a_100000757381_100000747405 [0,0,0,0,0,0|4,0,0]=4 384 B10R0.74 CCSCCSCC(=O)NC 62a_100000183359_100000757381 [0,0,0,0,0,0|3,0,0]=3 385 B10R0.74 CCSCCSCC(=O)NC 62a_100000757381_100000183359 [0,0,0,0,0,0|3,0,0]=3 386 B10R0.74 CCSCCSCC(=O)OC 62a_100000747449_100000757381 [0,0,0,0,0,0|4,0,0]=4 387 B10R0.74 CCSCCSCC(=O)OC 62a_100000757381_100000747449 [0,0,0,0,0,0|4,0,0]=4 388 B10R0.74 CNC(=O)CCCCCCO 240690a_100102657272_100011996774 [0,0,0,0,0,0|2,0,0]=2 389 B10R0.74 CNC(=O)CCCCCOC 11a_106832991635_100011935119 [0,0,0,0,0,0|2,0,0]=2 390 B10R0.74 CNC(=O)CCCCCOC 1626a_100102657272_100011935119 [0,0,0,0,0,0|2,0,0]=2 391 B10R0.74 CNC(=O)CCCCCOC 240690a_100102657272_100011935119 [0,0,0,0,0,0|2,0,0]=2 392 B10R0.74 CNC(=O)CCCCCOC 527a_100102657272_100011935119 [0,0,0,0,0,0|2,0,0]=2 393 B10R0.74 CNC(=O)CCCCN=[N+]=[N-] 11a_106832991635_100000070148 [0,0,0,0,0,0|4,0,0]=4 394 B10R0.74 CNC(=O)CCCCN=[N+]=[N-] 240690a_100102657272_100000070148 [0,0,0,0,0,0|4,0,0]=4 395 B10R0.74 CNC(=O)CCCCN=[N+]=[N-] 527a_100102657272_100000070148 [0,0,0,0,0,0|4,0,0]=4 396 B10R0.74 CNC(=O)CCCNCC#N 2230a_100000740002_100011215382 [0,0,0,0,0,0|3,0,1]=4 397 B10R0.74 CNC(=O)CCCNCC=O 2230a_100000740002_200015260668 [0,0,0,0,0,0|3,0,1]=4 398 B10R0.74 CNC(=O)CCCNCC=O 34a_100000740002_200009817547 [0,0,0,0,0,0|3,0,1]=4 399 B10R0.74 CNC(=O)CCCNCCF 2230a_100000740002_100011217306 [0,0,0,0,0,0|3,0,0]=3 400 B10R0.74 CNC(=O)CCCNCCF 34a_100000724931_100000741757 [0,0,0,0,0,0|3,0,0]=3 401 B10R0.74 CNC(=O)CCCNCCF 34a_100000740002_100011217306 [0,0,0,0,0,0|3,0,0]=3 402 B10R0.74 CNC(=O)CCCNCCO 2230a_100000740002_100000211926 [0,0,0,0,0,0|3,0,0]=3 403 B10R0.74 CNC(=O)CCCNCCO 2230a_100016997473_100000741757 [0,0,0,0,0,0|3,0,0]=3 404 B10R0.74 CNC(=O)CCCNCCO 34a_100000740002_100000211926 [0,0,0,0,0,0|3,0,0]=3 405 B10R0.74 CNC(=O)CCCNCCO 34a_100016990907_100000741757 [0,0,0,0,0,0|3,0,0]=3 406 B10R0.74 CNC(=O)CCCNCOC 2230a_100000740002_100000766300 [0,0,0,0,0,0|3,0,0]=3 407 B10R0.74 CNC(=O)CCCNCSC 2230a_100000740002_100011218213 [0,0,0,0,0,0|3,0,0]=3 408 B10R0.74 CNC(=O)CCCNCSC 34a_100000740002_100011218213 [0,0,0,0,0,0|3,0,0]=3 409 B10R0.74 CNC(=O)CCCOCCBr 34a_100000211926_100000741757 [0,0,0,0,0,0|3,0,0]=3 410 B10R0.74 CNC(=O)CCCOCCN 34a_100000210304_100000741757 [0,0,0,0,0,0|3,0,0]=3 411 B10R0.74 CNC(=O)CCCSCC#N 62a_100000741757_100011215382 [0,0,0,0,0,0|3,0,1]=4 412 B10R0.74 CNC(=O)CCCSCC#N 62a_100011215382_100000741757 [0,0,0,0,0,0|3,0,1]=4 413 B10R0.74 CNC(=O)CCCSCC=O 62a_100000741757_200015260668 [0,0,0,0,0,0|3,0,1]=4 414 B10R0.74 CNC(=O)CCCSCC=O 62a_200015260668_100000741757 [0,0,0,0,0,0|3,0,1]=4 415 B10R0.74 CNC(=O)CCCSCCF 62a_100000741757_100011217306 [0,0,0,0,0,0|3,0,0]=3 416 B10R0.74 CNC(=O)CCCSCCF 62a_100011217306_100000741757 [0,0,0,0,0,0|3,0,0]=3 417 B10R0.74 CNC(=O)CCCSCCO 62a_100000211926_100000741757 [0,0,0,0,0,0|3,0,0]=3 418 B10R0.74 CNC(=O)CCCSCCO 62a_100000741757_100000211926 [0,0,0,0,0,0|3,0,0]=3 419 B10R0.74 CNC(=O)CCCSCOC 62a_100000741757_100000766300 [0,0,0,0,0,0|3,0,0]=3 420 B10R0.74 CNC(=O)CCCSCOC 62a_100000766300_100000741757 [0,0,0,0,0,0|3,0,0]=3 421 B10R0.74 CNC(=O)CCCSCSC 62a_100000741757_100011218213 [0,0,0,0,0,0|3,0,0]=3 422 B10R0.74 CNC(=O)CCCSCSC 62a_100011218213_100000741757 [0,0,0,0,0,0|3,0,0]=3 423 B10R0.74 CNC(=O)CCNCCC#N 2230a_100000738227_100011215226 [0,0,0,0,0,0|3,0,1]=4 424 B10R0.74 CNC(=O)CCNCCCF 2230a_100000738227_100011934791 [0,0,0,0,0,0|3,0,0]=3 425 B10R0.74 CNC(=O)CCNCCCF 2230a_100015189416_100000737683 [0,0,0,0,0,0|3,0,0]=3 426 B10R0.74 CNC(=O)CCNCCCF 34a_100000738227_100011934791 [0,0,0,0,0,0|3,0,0]=3 427 B10R0.74 CNC(=O)CCNCCCF 34a_100015189416_100012179268 [0,0,0,0,0,0|3,0,0]=3 428 B10R0.74 CNC(=O)CCNCCCO 2230a_100000738227_100000230001 [0,0,0,0,0,0|3,0,0]=3 429 B10R0.74 CNC(=O)CCNCCCO 34a_100000738227_100000230001 [0,0,0,0,0,0|3,0,0]=3 430 B10R0.74 CNC(=O)CCNCCOC 2230a_100000209980_100000737683 [0,0,0,0,0,0|3,0,0]=3 431 B10R0.74 CNC(=O)CCNCCOC 2230a_100000738227_100011201679 [0,0,0,0,0,0|3,0,0]=3 432 B10R0.74 CNC(=O)CCNCCOC 34a_100000738227_100011201679 [0,0,0,0,0,0|3,0,0]=3 433 B10R0.74 CNC(=O)CCNCCSC 2230a_100000738227_100000751147 [0,0,0,0,0,0|3,0,0]=3 434 B10R0.74 CNC(=O)CCNCCSC 2230a_100020590264_100000737683 [0,0,0,0,0,0|3,0,0]=3 435 B10R0.74 CNC(=O)CCNCCSC 34a_100000738227_100000212216 [0,0,0,0,0,0|3,0,0]=3 436 B10R0.74 CNC(=O)CCOCCCBr 34a_100011217188_100012179268 [0,0,0,0,0,0|3,0,0]=3 437 B10R0.74 CNC(=O)CCOCCCCl 34a_100000230001_100012179268 [0,0,0,0,0,0|3,0,0]=3 438 B10R0.74 CNC(=O)CCOCCCF 34a_100000754576_100011934791 [0,0,0,0,0,0|3,0,0]=3 439 B10R0.74 CNC(=O)CCOCCCF 34a_100000759539_100012179268 [0,0,0,0,0,0|3,0,0]=3 440 B10R0.74 CNC(=O)CCOCCCN 34a_100000182051_100012179268 [0,0,0,0,0,0|3,0,0]=3 441 B10R0.74 CNC(=O)CCOCCCO 34a_100000754576_100000230001 [0,0,0,0,0,0|3,0,0]=3 442 B10R0.74 CNC(=O)CCOCCOC 11a_106832991635_100000745395 [0,0,0,0,0,0|3,0,0]=3 443 B10R0.74 CNC(=O)CCOCCOC 1626a_100102657272_100000745395 [0,0,0,0,0,0|3,0,0]=3 444 B10R0.74 CNC(=O)CCOCCOC 240690a_100102657272_100000745395 [0,0,0,0,0,0|3,0,0]=3 445 B10R0.74 CNC(=O)CCOCCOC 34a_100000210237_100012179268 [0,0,0,0,0,0|3,0,0]=3 446 B10R0.74 CNC(=O)CCOCCOC 34a_100000754576_100011201679 [0,0,0,0,0,0|3,0,0]=3 447 B10R0.74 CNC(=O)CCOCCOC 527a_100102657272_100000745395 [0,0,0,0,0,0|3,0,0]=3 448 B10R0.74 CNC(=O)CCOCCON 34a_100000700252_100012179268 [0,0,0,0,0,0|4,0,0]=4 449 B10R0.74 CNC(=O)CCOCCSC 34a_100000230434_100012179268 [0,0,0,0,0,0|3,0,0]=3 450 B10R0.74 CNC(=O)CCOCCSC 34a_100000754576_100000212216 [0,0,0,0,0,0|3,0,0]=3 451 B10R0.74 CNC(=O)CCOCCSC 7a_100000230434_100000737683 [0,0,0,0,0,0|3,0,0]=3 452 B10R0.74 CNC(=O)CCSCCC#N 62a_100000737683_100011215226 [0,0,0,0,0,0|3,0,1]=4 453 B10R0.74 CNC(=O)CCSCCC#N 62a_100011215226_100000737683 [0,0,0,0,0,0|3,0,1]=4 454 B10R0.74 CNC(=O)CCSCCCF 62a_100000737683_100011934791 [0,0,0,0,0,0|3,0,0]=3 455 B10R0.74 CNC(=O)CCSCCCF 62a_100011934791_100000737683 [0,0,0,0,0,0|3,0,0]=3 456 B10R0.74 CNC(=O)CCSCCCO 62a_100000737683_100011215043 [0,0,0,0,0,0|3,0,0]=3 457 B10R0.74 CNC(=O)CCSCCCO 62a_100011215043_100000737683 [0,0,0,0,0,0|3,0,0]=3 458 B10R0.74 CNC(=O)CCSCCOC 62a_100000233755_100000737683 [0,0,0,0,0,0|3,0,0]=3 459 B10R0.74 CNC(=O)CCSCCOC 62a_100000737683_100000233755 [0,0,0,0,0,0|3,0,0]=3 460 B10R0.74 CNC(=O)CCSCCSC 62a_100000212216_100000737683 [0,0,0,0,0,0|3,0,0]=3 461 B10R0.74 CNC(=O)CCSCCSC 62a_100000737683_100000751147 [0,0,0,0,0,0|3,0,0]=3 462 B10R0.74 CNC(=O)CNCCCC#N 2230a_100000693194_100000687738 [0,0,0,0,0,0|3,0,1]=4 463 B10R0.74 CNC(=O)CNCCCC=O 2230a_100000693194_200011292268 [0,0,0,0,0,0|3,0,1]=4 464 B10R0.74 CNC(=O)CNCCCCF 2230a_100000693194_100000729493 [0,0,0,0,0,0|3,0,0]=3 465 B10R0.74 CNC(=O)CNCCCCO 2230a_100000693194_100000210776 [0,0,0,0,0,0|3,0,0]=3 466 B10R0.74 CNC(=O)CNCCCCO 2230a_100000750430_100000183359 [0,0,0,0,0,0|3,0,0]=3 467 B10R0.74 CNC(=O)CNCCCCO 34a_100000750430_100000183359 [0,0,0,0,0,0|3,0,0]=3 468 B10R0.74 CNC(=O)CNCCCOC 2230a_100000693194_100000740836 [0,0,0,0,0,0|3,0,0]=3 469 B10R0.74 CNC(=O)CNCCCOC 34a_100150723488_100000183359 [0,0,0,0,0,0|3,0,0]=3 470 B10R0.74 CNC(=O)CNCCCSC 2230a_100000749238_100000183359 [0,0,0,0,0,0|3,0,0]=3 471 B10R0.74 CNC(=O)COCCCCBr 34a_100011216708_100000183359 [0,0,0,0,0,0|3,0,0]=3 472 B10R0.74 CNC(=O)COCCCCCl 34a_100000210776_100000183359 [0,0,0,0,0,0|3,0,0]=3 473 B10R0.74 CNC(=O)COCCCCCl 7a_100000210776_100000183359 [0,0,0,0,0,0|3,0,0]=3 474 B10R0.74 CNC(=O)COCCCCF 34a_100000750040_100000729493 [0,0,0,0,0,0|3,0,0]=3 475 B10R0.74 CNC(=O)COCCCCF 34a_100011995726_100000183359 [0,0,0,0,0,0|3,0,0]=3 476 B10R0.74 CNC(=O)COCCCCF 7a_100011995726_100000183359 [0,0,0,0,0,0|3,0,0]=3 477 B10R0.74 CNC(=O)COCCCCI 34a_200012148704_100000183359 [0,0,0,0,0,0|3,0,0]=3 478 B10R0.74 CNC(=O)COCCCCN 34a_100000750430_100000183359 [0,0,0,0,0,0|3,0,0]=3 479 B10R0.74 CNC(=O)COCCCCO 34a_100000750040_100011216708 [0,0,0,0,0,0|3,0,0]=3 480 B10R0.74 CNC(=O)COCCCOC 34a_100000740835_100000183359 [0,0,0,0,0,0|3,0,0]=3 481 B10R0.74 CNC(=O)COCCCOC 34a_100000750040_100000740836 [0,0,0,0,0,0|3,0,0]=3 482 B10R0.74 CNC(=O)COCCCSC 34a_100000690336_100000183359 [0,0,0,0,0,0|3,0,0]=3 483 B10R0.74 CNC(=O)COCCCSC 7a_100000690336_100000183359 [0,0,0,0,0,0|3,0,0]=3 484 B10R0.74 CNC(=O)CSCCCC#N 62a_100000183359_100000687738 [0,0,0,0,0,0|3,0,1]=4 485 B10R0.74 CNC(=O)CSCCCC#N 62a_100000687738_100000183359 [0,0,0,0,0,0|3,0,1]=4 486 B10R0.74 CNC(=O)CSCCCC=O 62a_100000183359_200011292268 [0,0,0,0,0,0|3,0,1]=4 487 B10R0.74 CNC(=O)CSCCCC=O 62a_200011292268_100000183359 [0,0,0,0,0,0|3,0,1]=4 488 B10R0.74 CNC(=O)CSCCCCF 62a_100000183359_100000729493 [0,0,0,0,0,0|3,0,0]=3 489 B10R0.74 CNC(=O)CSCCCCF 62a_100000729493_100000183359 [0,0,0,0,0,0|3,0,0]=3 490 B10R0.74 CNC(=O)CSCCCCO 62a_100000183359_100000210776 [0,0,0,0,0,0|3,0,0]=3 491 B10R0.74 CNC(=O)CSCCCCO 62a_100000210776_100000183359 [0,0,0,0,0,0|3,0,0]=3 492 B10R0.74 CNC(=O)CSCCCOC 62a_100000183359_100000709357 [0,0,0,0,0,0|3,0,0]=3 493 B10R0.74 CNC(=O)CSCCCOC 62a_100000709357_100000183359 [0,0,0,0,0,0|3,0,0]=3 494 B10R0.74 CNC(=O)NCCCCC#N 2708a_100000751965_106832991635 [0,0,0,0,0,0|3,0,1]=4 495 B10R0.74 CNC(=O)NCCCCC#N 2708a_100102657272_100000751965 [0,0,0,0,0,0|3,0,1]=4 496 B10R0.74 CNC(=O)NCCCCC#N 273464a_100000751965_100102657272 [0,0,0,0,0,0|3,0,1]=4 497 B10R0.74 CNC(=O)NCCCCC#N 273464a_100102657272_100000751965 [0,0,0,0,0,0|3,0,1]=4 498 B10R0.74 CNC(=O)NCCCCC#N 512a_100000751965_100102657272 [0,0,0,0,0,0|3,0,1]=4 499 B10R0.74 CNC(=O)NCCCCC#N 512a_106832991638_100000751965 [0,0,0,0,0,0|3,0,1]=4 500 B10R0.74 CNC(=O)NCCCCCO 2708a_100102657272_100000762737 [0,0,0,0,0,0|3,0,0]=3 501 B10R0.74 CNC(=O)NCCCCCO 273464a_100000762737_100102657272 [0,0,0,0,0,0|3,0,0]=3 502 B10R0.74 CNC(=O)NCCCCCO 273464a_100102657272_100000762737 [0,0,0,0,0,0|3,0,0]=3 503 B10R0.74 CNC(=O)NCCCCCO 512a_100000762737_100102657272 [0,0,0,0,0,0|3,0,0]=3 504 B10R0.74 CNC(=O)NCCCCCO 512a_106832991638_100000762737 [0,0,0,0,0,0|3,0,0]=3 505 B10R0.74 CNC(=O)NCCNCCF 34a_100015205895_100011217306 [0,0,0,0,0,0|4,0,0]=4 506 B10R0.74 CNC(=O)NCCNCCO 34a_100015205895_100000211926 [0,0,0,0,0,0|4,0,0]=4 507 B10R0.74 CNC(=O)NCCNCSC 34a_100015205895_100011218213 [0,0,0,0,0,0|4,0,0]=4 508 B10R0.74 CNC(=O)NCCOCCO 2708a_100102657272_100000211614 [0,0,0,0,0,0|4,0,0]=4 509 B10R0.74 CNC(=O)NCCOCCO 273464a_100000211614_100102657272 [0,0,0,0,0,0|4,0,0]=4 510 B10R0.74 CNC(=O)NCCOCCO 273464a_100102657272_100000211614 [0,0,0,0,0,0|4,0,0]=4 511 B10R0.74 CNC(=O)NCCOCCO 512a_100000211614_100102657272 [0,0,0,0,0,0|4,0,0]=4 512 B10R0.74 CNC(=O)NCCSCCO 2708a_100102657272_100011219999 [0,0,0,0,0,0|4,0,0]=4 513 B10R0.74 CNC(=O)NCCSCCO 273464a_100011219999_100102657272 [0,0,0,0,0,0|4,0,0]=4 514 B10R0.74 CNC(=O)NCCSCCO 273464a_100102657272_100011219999 [0,0,0,0,0,0|4,0,0]=4 515 B10R0.74 CNC(=O)NCCSCCO 512a_100011219999_100102657272 [0,0,0,0,0,0|4,0,0]=4 516 B10R0.74 CNC(=O)NCCSCCO 512a_106832991638_100011219999 [0,0,0,0,0,0|4,0,0]=4 517 B10R0.74 CNC(=O)NNCCCOC 273464a_100102657272_100025702787 [0,0,0,0,0,0|4,0,0]=4 518 B10R0.74 CNC(=O)NNCCCOC 512a_106832991638_100025702787 [0,0,0,0,0,0|4,0,0]=4 519 B10R0.74 CNC(=O)OCCNCCF 34a_100000724931_200011997002 [0,0,0,0,0,0|4,0,0]=4 520 B10R0.74 CNC(=O)OCCNCCO 34a_100016990907_200011997002 [0,0,0,0,0,0|4,0,0]=4 521 B10R0.74 CNC(=O)OCCOCCBr 34a_100000211926_200011997002 [0,0,0,0,0,0|4,0,0]=4 522 B10R0.74 CNC(=O)OCCOCCN 34a_100000210304_200011997002 [0,0,0,0,0,0|4,0,0]=4 523 B10R0.74 CNC(=O)OCCSCCF 62a_100011217306_200011997002 [0,0,0,0,0,0|4,0,0]=4 524 B10R0.74 CNC(=O)OCCSCCF 62a_200011997002_100011217306 [0,0,0,0,0,0|4,0,0]=4 525 B10R0.74 CNC(=O)OCCSCCO 62a_100000211926_200011997002 [0,0,0,0,0,0|4,0,0]=4 526 B10R0.74 CNC(=O)OCCSCCO 62a_200011997002_100000211926 [0,0,0,0,0,0|4,0,0]=4 527 B10R0.74 CNC(=O)OCCSCOC 62a_100000766300_200011997002 [0,0,0,0,0,0|4,0,0]=4 528 B10R0.74 CNC(=O)OCCSCOC 62a_200011997002_100000766300 [0,0,0,0,0,0|4,0,0]=4 529 B10R0.74 CNC(=O)OCCSCSC 62a_100011218213_200011997002 [0,0,0,0,0,0|4,0,0]=4 530 B10R0.74 CNC(=O)OCCSCSC 62a_200011997002_100011218213 [0,0,0,0,0,0|4,0,0]=4 531 B10R0.74 CNCCCCCC(=O)OC 2230a_106832991635_100009816466 [0,0,0,0,0,0|3,0,0]=3 532 B10R0.74 CNCCCCCC(=O)OC 34a_100102657272_100009816466 [0,0,0,0,0,0|3,0,0]=3 533 B10R0.74 CNCCCCCC(=O)OC 7a_106832991635_100009816466 [0,0,0,0,0,0|3,0,0]=3 534 B10R0.74 CNCCCOCC(=O)NC 34a_100000213112_100000183359 [0,0,0,0,0,0|3,0,0]=3 535 B10R0.74 CNCCCOCC(=O)OC 34a_100000213112_100000747449 [0,0,0,0,0,0|4,0,0]=4 536 B10R0.74 COC(=O)CCCCCO[13CH3] 34a_100000074720_200025704644 [0,0,0,0,0,0|3,0,0]=3 537 B10R0.74 COC(=O)CCCCCO[13CH3] 7a_100000074720_200025704644 [0,0,0,0,0,0|3,0,0]=3 538 B10R0.74 COC(=O)CCCCCSC 62a_100009816466_200000210301 [0,0,0,0,0,0|3,0,0]=3 539 B10R0.74 COC(=O)CCCCCSC 62a_200000210301_100009816466 [0,0,0,0,0,0|3,0,0]=3 540 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_100009816466_200025704644 [0,0,0,0,0,0|3,0,0]=3 541 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_200025704644_100009816466 [0,0,0,0,0,0|3,0,0]=3 542 B10R0.74 COC(=O)CCCCOCF 34a_100000059025_100015361967 [0,0,0,0,0,0|4,0,0]=4 543 B10R0.74 COC(=O)CCCCOCF 7a_100000059025_100015361967 [0,0,0,0,0,0|4,0,0]=4 544 B10R0.74 COC(=O)CCCCSCF 62a_100000204269_100015361967 [0,0,0,0,0,0|4,0,0]=4 545 B10R0.74 COC(=O)CCCCSCF 62a_100015361967_100000204269 [0,0,0,0,0,0|4,0,0]=4 546 B10R0.74 COC(=O)CCCNCCF 34a_100000724931_100000742333 [0,0,0,0,0,0|4,0,0]=4 547 B10R0.74 COC(=O)CCCNCCO 2230a_100016997473_100011218270 [0,0,0,0,0,0|4,0,0]=4 548 B10R0.74 COC(=O)CCCNCCO 34a_100016990907_100000742333 [0,0,0,0,0,0|4,0,0]=4 549 B10R0.74 COC(=O)CCCOCCBr 34a_100000211926_100000742333 [0,0,0,0,0,0|4,0,0]=4 550 B10R0.74 COC(=O)CCCOCCN 34a_100000210304_100000742333 [0,0,0,0,0,0|4,0,0]=4 551 B10R0.74 COC(=O)CCCSCCF 62a_100011217306_100011218270 [0,0,0,0,0,0|4,0,0]=4 552 B10R0.74 COC(=O)CCCSCCF 62a_100011218270_100011217306 [0,0,0,0,0,0|4,0,0]=4 553 B10R0.74 COC(=O)CCCSCCO 62a_100000211926_100011218270 [0,0,0,0,0,0|4,0,0]=4 554 B10R0.74 COC(=O)CCCSCCO 62a_100011218270_100000211926 [0,0,0,0,0,0|4,0,0]=4 555 B10R0.74 COC(=O)CCCSCSC 62a_100011218213_100011218270 [0,0,0,0,0,0|4,0,0]=4 556 B10R0.74 COC(=O)CCCSCSC 62a_100011218270_100011218213 [0,0,0,0,0,0|4,0,0]=4 557 B10R0.74 COC(=O)CCNCCCF 2230a_100015189416_100000204255 [0,0,0,0,0,0|4,0,0]=4 558 B10R0.74 COC(=O)CCNCCCF 34a_100015189416_100000742370 [0,0,0,0,0,0|4,0,0]=4 559 B10R0.74 COC(=O)CCNCCSC 2230a_100020590264_100000204255 [0,0,0,0,0,0|4,0,0]=4 560 B10R0.74 COC(=O)CCOCCCBr 34a_100011217188_100000742370 [0,0,0,0,0,0|4,0,0]=4 561 B10R0.74 COC(=O)CCOCCCCl 34a_100000230001_100000742370 [0,0,0,0,0,0|4,0,0]=4 562 B10R0.74 COC(=O)CCOCCCF 34a_100000759539_100000742370 [0,0,0,0,0,0|4,0,0]=4 563 B10R0.74 COC(=O)CCOCCCN 34a_100000182051_100000742370 [0,0,0,0,0,0|4,0,0]=4 564 B10R0.74 COC(=O)CCOCCSC 34a_100000230434_100000742370 [0,0,0,0,0,0|4,0,0]=4 565 B10R0.74 COC(=O)CCOCCSC 7a_100000230434_100000204255 [0,0,0,0,0,0|4,0,0]=4 566 B10R0.74 COC(=O)CCSCCCF 62a_100000204255_100011934791 [0,0,0,0,0,0|4,0,0]=4 567 B10R0.74 COC(=O)CCSCCCF 62a_100011934791_100000204255 [0,0,0,0,0,0|4,0,0]=4 568 B10R0.74 COC(=O)CCSCCCO 62a_100000204255_100011215043 [0,0,0,0,0,0|4,0,0]=4 569 B10R0.74 COC(=O)CCSCCCO 62a_100011215043_100000204255 [0,0,0,0,0,0|4,0,0]=4 570 B10R0.74 COC(=O)CCSCCSC 62a_100000204255_100000751147 [0,0,0,0,0,0|4,0,0]=4 571 B10R0.74 COC(=O)CCSCCSC 62a_100000212216_100000204255 [0,0,0,0,0,0|4,0,0]=4 572 B10R0.74 COC(=O)CNCCCCO 2230a_100000750430_100000747449 [0,0,0,0,0,0|4,0,0]=4 573 B10R0.74 COC(=O)CNCCCCO 34a_100000750430_100000747449 [0,0,0,0,0,0|4,0,0]=4 574 B10R0.74 COC(=O)CNCCCSC 2230a_100000749238_100000747449 [0,0,0,0,0,0|4,0,0]=4 575 B10R0.74 COC(=O)COCCCCBr 34a_100011216708_100000747449 [0,0,0,0,0,0|4,0,0]=4 576 B10R0.74 COC(=O)COCCCCCl 34a_100000210776_100000747449 [0,0,0,0,0,0|4,0,0]=4 577 B10R0.74 COC(=O)COCCCCCl 7a_100000210776_100000747449 [0,0,0,0,0,0|4,0,0]=4 578 B10R0.74 COC(=O)COCCCCF 34a_100011995726_100000747449 [0,0,0,0,0,0|4,0,0]=4 579 B10R0.74 COC(=O)COCCCCF 7a_100011995726_100000747449 [0,0,0,0,0,0|4,0,0]=4 580 B10R0.74 COC(=O)COCCCCI 34a_200012148704_100000747449 [0,0,0,0,0,0|4,0,0]=4 581 B10R0.74 COC(=O)COCCCCN 34a_100000750430_100000747449 [0,0,0,0,0,0|4,0,0]=4 582 B10R0.74 COC(=O)COCCCSC 34a_100000690336_100000747449 [0,0,0,0,0,0|4,0,0]=4 583 B10R0.74 COC(=O)COCCCSC 7a_100000690336_100000747449 [0,0,0,0,0,0|4,0,0]=4 584 B10R0.74 COC(=O)CSCCCCF 62a_100000729493_100000747449 [0,0,0,0,0,0|4,0,0]=4 585 B10R0.74 COC(=O)CSCCCCF 62a_100000747449_100000729493 [0,0,0,0,0,0|4,0,0]=4 586 B10R0.74 COC(=O)CSCCCCO 62a_100000210776_100000747449 [0,0,0,0,0,0|4,0,0]=4 587 B10R0.74 COC(=O)CSCCCCO 62a_100000747449_100000210776 [0,0,0,0,0,0|4,0,0]=4 588 B10R0.74 COCCCCCC(=O)CF 1458a_100011935119_100015361967 [0,0,0,0,0,0|3,0,0]=3 589 B10R0.74 COCCCCCC(=O)OC 34a_100000074720_200000210301 [0,0,0,0,0,0|3,0,0]=3 590 B10R0.74 COCCCCCC(=O)OC 34a_100138415774_100009816466 [0,0,0,0,0,0|3,0,0]=3 591 B10R0.74 COCCCCCC(=O)OC 7a_100000074720_200000210301 [0,0,0,0,0,0|3,0,0]=3 592 B10R0.74 COCCCNCC(=O)OC 34a_100150723488_100000747449 [0,0,0,0,0,0|4,0,0]=4 593 B10R0.74 COCCCNNC(=O)CO 22a_100025702787_100000210174 [0,0,0,0,0,0|4,0,0]=4 594 B10R0.74 COCCCOCC(=O)OC 34a_100000740835_100000747449 [0,0,0,0,0,0|4,0,0]=4 595 B10R0.74 COCCCSCC(=O)OC 62a_100000709357_100000747449 [0,0,0,0,0,0|4,0,0]=4 596 B10R0.74 COCCCSCC(=O)OC 62a_100000747449_100000709357 [0,0,0,0,0,0|4,0,0]=4 597 B10R0.74 COCCNCCC(=O)OC 2230a_100000209980_100000204255 [0,0,0,0,0,0|4,0,0]=4 598 B10R0.74 COCCOCCC(=NO)N 34a_100000749954_100011201679 [0,0,0,0,0,0|3,0,1]=4 599 B10R0.74 COCCOCCC(=O)CF 1458a_100000745395_100015361967 [0,0,0,0,0,0|4,0,0]=4 600 B10R0.74 COCCOCCC(=O)CO 1458a_100000210174_100000695917 [0,0,0,0,0,0|3,0,0]=3 601 B10R0.74 COCCOCCC(=O)OC 34a_100000210237_100000742370 [0,0,0,0,0,0|4,0,0]=4 602 B10R0.74 COCCSCCC(=O)OC 62a_100000204255_100000233755 [0,0,0,0,0,0|4,0,0]=4 603 B10R0.74 COCCSCCC(=O)OC 62a_100000233755_100000204255 [0,0,0,0,0,0|4,0,0]=4 604 B10R0.74 COCSCCCC(=O)OC 62a_100000766300_100011218270 [0,0,0,0,0,0|4,0,0]=4 605 B10R0.74 COCSCCCC(=O)OC 62a_100011218270_100000766300 [0,0,0,0,0,0|4,0,0]=4 606 B10R0.74 CSCCOCCC(=NO)N 34a_100000749954_100000212216 [0,0,0,0,0,0|3,0,1]=4 607 B10R0.74 CSCOCCCC(=O)NN 34a_100000211488_100011218213 [0,0,0,0,0,0|3,0,0]=3 608 B10R0.74 N#CCCCCCC(=O)CO 1458a_100000210174_100009813376 [0,0,0,0,0,0|2,0,1]=3 609 B10R0.74 N#CCCCCNC(=O)CO 240690a_100000751965_100000210174 [0,0,0,0,0,0|3,0,1]=4 610 B10R0.74 N#CCCCCNC(=O)CO 527a_100000751965_100000210174 [0,0,0,0,0,0|3,0,1]=4 611 B10R0.74 NC(=NO)CCOCCCF 34a_100000749954_100011934791 [0,0,0,0,0,0|3,0,1]=4 612 B10R0.74 NC(=NO)CCOCCCO 34a_100000749954_100000230001 [0,0,0,0,0,0|3,0,1]=4 613 B10R0.74 NNC(=O)CCCOCC=O 34a_100000211488_200009817547 [0,0,0,0,0,0|3,0,1]=4 614 B10R0.74 NNC(=O)CCCOCCF 34a_100000211488_100011217306 [0,0,0,0,0,0|3,0,0]=3 615 B10R0.74 NNC(=O)CCCOCCO 34a_100000211488_100000211926 [0,0,0,0,0,0|3,0,0]=3 616 B10R0.74 O=C(CF)CCCCCCO 1458a_100011996774_100015361967 [0,0,0,0,0,0|3,0,0]=3 617 B10R0.74 O=C(CO)CCCCCCF 1458a_100000210174_100015922095 [0,0,0,0,0,0|2,0,0]=2 618 B10R0.74 O=C(CO)CCCCCCO 1458a_100000210174_100000766143 [0,0,0,0,0,0|2,0,0]=2 619 B10R0.74 O=C(CO)NCCCCCO 240690a_100000762737_100000210174 [0,0,0,0,0,0|3,0,0]=3 620 B10R0.74 O=C(CO)NCCOCCO 240690a_100000211614_100000210174 [0,0,0,0,0,0|4,0,0]=4 621 B10R0.74 O=C(CO)NCCSCCO 240690a_100011219999_100000210174 [0,0,0,0,0,0|4,0,0]=4 622 B10R0.74 O=C(CO)NCCSCCO 527a_100011219999_100000210174 [0,0,0,0,0,0|4,0,0]=4 623 B9R0.2 C#CCCCCCC(=O)C 1458a_100000070787_100012094781 [1,0,0,0,0,0|1,0,2]=4 624 B9R0.2 C#CCCCCCC(=O)C 1458a_100000694772_200000210301 [1,0,0,0,0,0|1,0,2]=4 625 B9R0.2 C#CCCCCCC(=O)[13CH3] 1458a_100000694772_200025704644 [1,0,0,0,0,0|1,0,2]=4 626 B9R0.2 C#CCCCNCC(=O)N 2230a_100000711301_100000731252 [1,0,0,0,0,0|1,0,2]=4 627 B9R0.2 C#CCCCNCC(=O)N 34a_100000718082_100000187820 [1,0,0,0,0,0|1,0,2]=4 628 B9R0.2 C#CCCCNCC(=O)O 269956a_100016091260_100011215417 [1,0,0,0,0,0|1,0,2]=4 629 B9R0.2 C#CCCCOCC(=O)N 34a_100000215630_100000187820 [1,0,0,0,0,0|1,0,2]=4 630 B9R0.2 C#CCCCOCC(=O)N 7a_100000215630_100000187820 [1,0,0,0,0,0|1,0,2]=4 631 B9R0.2 C#CCCCSCC(=O)N 62a_100000747473_100011215417 [1,0,0,0,0,0|1,0,2]=4 632 B9R0.2 C#CCCCSCC(=O)N 62a_100011215417_100000747473 [1,0,0,0,0,0|1,0,2]=4 633 B9R0.2 C#CCCNCCC(=O)N 34a_100000755551_100000731001 [1,0,0,0,0,0|1,0,2]=4 634 B9R0.2 C#CCCOCCC(=O)N 34a_100000757172_100000688953 [1,0,0,0,0,0|1,0,2]=4 635 B9R0.2 C#CCCOCCC(=O)N 34a_100011215631_100000731001 [1,0,0,0,0,0|1,0,2]=4 636 B9R0.2 C#CCCOCCC(=O)N 7a_100000757172_100000688953 [1,0,0,0,0,0|1,0,2]=4 637 B9R0.2 C#CCCSCCC(=O)N 62a_100000688953_100000744528 [1,0,0,0,0,0|1,0,2]=4 638 B9R0.2 C#CCCSCCC(=O)N 62a_100000744528_100000688953 [1,0,0,0,0,0|1,0,2]=4 639 B9R0.2 C#CCNCCCC(=O)N 34a_100000212058_100102525003 [1,0,0,0,0,0|1,0,2]=4 640 B9R0.2 C#CCNCCCC(=O)N 34a_100000739312_100000184674 [1,0,0,0,0,0|1,0,2]=4 641 B9R0.2 C#CCOCCCC(=O)N 34a_100000210247_100102525003 [1,0,0,0,0,0|1,0,2]=4 642 B9R0.2 C#CCSCCCC(=O)N 62a_100000038162_100102525003 [1,0,0,0,0,0|1,0,2]=4 643 B9R0.2 C/C=C/CCOCC(=O)N 34a_100016278192_100000187820 [1,0,0,0,0,0|1,0,2]=4 644 B9R0.2 C/C=C/COCCC(=O)N 34a_100000757172_100102629194 [1,0,0,0,0,0|1,0,2]=4 645 B9R0.2 C/C=C/COCCC(=O)N 34a_100016270725_100000731001 [1,0,0,0,0,0|1,0,2]=4 646 B9R0.2 C/C=C/COCCC(=O)N 7a_100000757172_100102629194 [1,0,0,0,0,0|1,0,2]=4 647 B9R0.2 C/C=C/CSCCC(=O)N 62a_100000744528_100102629194 [1,0,0,0,0,0|1,0,2]=4 648 B9R0.2 C/C=C/CSCCC(=O)N 62a_100102629194_100000744528 [1,0,0,0,0,0|1,0,2]=4 649 B9R0.2 C=C(Br)CCOCCCC 34a_100009813270_100000210210 [1,0,0,0,0,0|3,0,0]=4 650 B9R0.2 C=C(C)CCNCCCC 2230a_100000102301_100000730704 [1,0,0,0,0,0|3,0,0]=4 651 B9R0.2 C=C(C)CCNCCCC 7a_106832991798_100000730704 [1,0,0,0,0,0|3,0,0]=4 652 B9R0.2 C=C(C)CCOCCCC 34a_100000210227_100000730704 [1,0,0,0,0,0|3,0,0]=4 653 B9R0.2 C=C(C)CCOCCCC 34a_100000764851_100000210210 [1,0,0,0,0,0|3,0,0]=4 654 B9R0.2 C=C(C)CCOCCCC 7a_100000210227_100000730704 [1,0,0,0,0,0|3,0,0]=4 655 B9R0.2 C=C(C)CCSCCCC 62a_100000210211_100000730704 [1,0,0,0,0,0|3,0,0]=4 656 B9R0.2 C=C(C)CCSCCCC 62a_100000730704_100000210210 [1,0,0,0,0,0|3,0,0]=4 657 B9R0.2 C=C(C)CNCCCCC 2230a_100000209983_100000748629 [1,0,0,0,0,0|3,0,0]=4 658 B9R0.2 C=C(C)COCCCCC 34a_100000210245_100000718602 [1,0,0,0,0,0|3,0,0]=4 659 B9R0.2 C=C(C)COCCCCC 34a_100000210253_100000748629 [1,0,0,0,0,0|3,0,0]=4 660 B9R0.2 C=C(C)COCCCCC 7a_100000210253_100000748629 [1,0,0,0,0,0|3,0,0]=4 661 B9R0.2 C=C(C)CSCCCCC 62a_100000210326_100000211660 [1,0,0,0,0,0|3,0,0]=4 662 B9R0.2 C=C(C)CSCCCCC 62a_100000748629_100000210326 [1,0,0,0,0,0|3,0,0]=4 663 B9R0.2 C=C(F)CNCCCCC 2230a_100000209983_100009893438 [1,0,0,0,0,0|3,0,0]=4 664 B9R0.2 C=C(F)COCCCCC 34a_100000210253_100009893438 [1,0,0,0,0,0|3,0,0]=4 665 B9R0.2 C=C(F)COCCCCC 34a_200010262243_100000718602 [1,0,0,0,0,0|3,0,0]=4 666 B9R0.2 C=C(F)COCCCCC 7a_100000210253_100000042424 [1,0,0,0,0,0|3,0,0]=4 667 B9R0.2 C=C(F)CSCCCCC 62a_100000042424_100000210326 [1,0,0,0,0,0|3,0,0]=4 668 B9R0.2 C=C(F)CSCCCCC 62a_100000210326_100000042424 [1,0,0,0,0,0|3,0,0]=4 669 B9R0.2 C=CCCCCCC(=O)C 1458a_100000070787_100000700193 [1,0,0,0,0,0|1,0,2]=4 670 B9R0.2 C=CCCCCCC(=O)C 1458a_100011934241_200000210301 [1,0,0,0,0,0|1,0,2]=4 671 B9R0.2 C=CCCCCCC(=O)[13CH3] 1458a_100011934241_200025704644 [1,0,0,0,0,0|1,0,2]=4 672 B9R0.2 C=CCCCNCC(=O)N 2230a_100000700776_100000747473 [1,0,0,0,0,0|1,0,2]=4 673 B9R0.2 C=CCCCNCC(=O)N 2230a_100000711301_100011713584 [1,0,0,0,0,0|1,0,2]=4 674 B9R0.2 C=CCCCNCC(=O)N 34a_100000700776_100000187820 [1,0,0,0,0,0|1,0,2]=4 675 B9R0.2 C=CCCCNCC(=O)O 269956a_100016091260_100011713584 [1,0,0,0,0,0|1,0,2]=4 676 B9R0.2 C=CCCCOCC(=O)N 34a_100000758997_100000187820 [1,0,0,0,0,0|1,0,2]=4 677 B9R0.2 C=CCCCOCC(=O)N 7a_100000758997_100000187820 [1,0,0,0,0,0|1,0,2]=4 678 B9R0.2 C=CCCCSCC(=O)N 62a_100000747473_100000757094 [1,0,0,0,0,0|1,0,2]=4 679 B9R0.2 C=CCCCSCC(=O)N 62a_100011713584_100000747473 [1,0,0,0,0,0|1,0,2]=4 680 B9R0.2 C=CCCNCCC(=O)N 2230a_100015191253_100000744528 [1,0,0,0,0,0|1,0,2]=4 681 B9R0.2 C=CCCOCCC(=O)N 34a_100000757172_100000754431 [1,0,0,0,0,0|1,0,2]=4 682 B9R0.2 C=CCCOCCC(=O)N 34a_100011205117_100000731001 [1,0,0,0,0,0|1,0,2]=4 683 B9R0.2 C=CCCOCCC(=O)N 7a_100000757172_100000754431 [1,0,0,0,0,0|1,0,2]=4 684 B9R0.2 C=CCCSCCC(=O)N 62a_100000744528_100000754431 [1,0,0,0,0,0|1,0,2]=4 685 B9R0.2 C=CCCSCCC(=O)N 62a_100000754431_100000744528 [1,0,0,0,0,0|1,0,2]=4 686 B9R0.2 C=CCNCCCC(=O)N 34a_100000739312_100015514636 [1,0,0,0,0,0|1,0,2]=4 687 B9R0.2 C=CCOCCCC(=O)N 34a_200000210373_100102525003 [1,0,0,0,0,0|1,0,2]=4 688 B9R0.2 C=CCSCCCC(=O)N 62a_100000210623_100102525003 [1,0,0,0,0,0|1,0,2]=4 689 B9R0.2 C=CCSCCCC(=O)N 62a_100102525003_100000210623 [1,0,0,0,0,0|1,0,2]=4 690 B9R0.2 CC#CCCOCC(=O)N 34a_100000750427_100000187820 [1,0,0,0,0,0|1,0,2]=4 691 B9R0.2 CC#CCNCCC(=O)N 2230a_100000685387_100000744528 [1,0,0,0,0,0|1,0,2]=4 692 B9R0.2 CC#CCNCCC(=O)N 34a_100000685387_100000731001 [1,0,0,0,0,0|1,0,2]=4 693 B9R0.2 CC#CCOCCC(=O)N 34a_100000757172_100000748600 [1,0,0,0,0,0|1,0,2]=4 694 B9R0.2 CC#CCOCCC(=O)N 34a_100000761923_100000731001 [1,0,0,0,0,0|1,0,2]=4 695 B9R0.2 CC#CCOCCC(=O)N 7a_100000757172_100000748600 [1,0,0,0,0,0|1,0,2]=4 696 B9R0.2 CC#CCSCCC(=O)N 62a_100000744528_100000748600 [1,0,0,0,0,0|1,0,2]=4 697 B9R0.2 CC#CCSCCC(=O)N 62a_100000748600_100000744528 [1,0,0,0,0,0|1,0,2]=4 698 B9R0.2 CC(=O)CCCCCC#N 1458a_100000070787_100009813376 [1,0,0,0,0,0|2,0,1]=4 699 B9R0.2 CC(=O)CCCCCCF 1458a_100000070787_100015922095 [1,0,0,0,0,0|2,0,0]=3 700 B9R0.2 CC(=O)CCCCCCO 1458a_100000070787_100000766143 [1,0,0,0,0,0|2,0,0]=3 701 B9R0.2 CC(=O)CCCCCCO 1458a_100011996774_200000210301 [1,0,0,0,0,0|2,0,0]=3 702 B9R0.2 CC(=O)CCCCSCF 62a_100000735457_100015361967 [1,0,0,0,0,0|3,0,0]=4 703 B9R0.2 CC(=O)CCCCSCF 62a_100015361967_100000735457 [1,0,0,0,0,0|3,0,0]=4 704 B9R0.2 CC(=O)CCCNCCF 34a_100000724931_100000685027 [1,0,0,0,0,0|3,0,0]=4 705 B9R0.2 CC(=O)CCCNCCO 34a_100016990907_100000685027 [1,0,0,0,0,0|3,0,0]=4 706 B9R0.2 CC(=O)CCCOCCBr 34a_100000211926_100000685027 [1,0,0,0,0,0|3,0,0]=4 707 B9R0.2 CC(=O)CCCOCCF 34a_100000759063_100011217306 [1,0,0,0,0,0|3,0,0]=4 708 B9R0.2 CC(=O)CCCOCCF 7a_100000759063_100011217306 [1,0,0,0,0,0|3,0,0]=4 709 B9R0.2 CC(=O)CCCOCCN 34a_100000210304_100000685027 [1,0,0,0,0,0|3,0,0]=4 710 B9R0.2 CC(=O)CCCOCCO 34a_100000759063_100000211926 [1,0,0,0,0,0|3,0,0]=4 711 B9R0.2 CC(=O)CCCOCCO 7a_100000759063_100000211926 [1,0,0,0,0,0|3,0,0]=4 712 B9R0.2 CC(=O)CCCSCCF 62a_100011215641_100011217306 [1,0,0,0,0,0|3,0,0]=4 713 B9R0.2 CC(=O)CCCSCCF 62a_100011217306_100011215641 [1,0,0,0,0,0|3,0,0]=4 714 B9R0.2 CC(=O)CCCSCCO 62a_100000211926_100011215641 [1,0,0,0,0,0|3,0,0]=4 715 B9R0.2 CC(=O)CCCSCCO 62a_100011215641_100000211926 [1,0,0,0,0,0|3,0,0]=4 716 B9R0.2 CC(=O)CCOCCCF 34a_100000759926_100011934791 [1,0,0,0,0,0|3,0,0]=4 717 B9R0.2 CC(=O)CCOCCCF 7a_100000759926_100011934791 [1,0,0,0,0,0|3,0,0]=4 718 B9R0.2 CC(=O)CCOCCCO 34a_100000759926_100000230001 [1,0,0,0,0,0|3,0,0]=4 719 B9R0.2 CC(=O)CCOCCCO 7a_100000759926_100011215043 [1,0,0,0,0,0|3,0,0]=4 720 B9R0.2 CC(=O)CCSCCCF 62a_100000053229_100011934791 [1,0,0,0,0,0|3,0,0]=4 721 B9R0.2 CC(=O)CCSCCCF 62a_100011934791_100000053229 [1,0,0,0,0,0|3,0,0]=4 722 B9R0.2 CC(=O)CCSCCCO 62a_100000053229_100011215043 [1,0,0,0,0,0|3,0,0]=4 723 B9R0.2 CC(=O)CCSCCCO 62a_100011215043_100000053229 [1,0,0,0,0,0|3,0,0]=4 724 B9R0.2 CC(=O)COCCCCF 34a_100000211253_100000729493 [1,0,0,0,0,0|3,0,0]=4 725 B9R0.2 CC(=O)COCCCCO 34a_100000211253_100011216708 [1,0,0,0,0,0|3,0,0]=4 726 B9R0.2 CC(=O)NCCCCCO 240690a_100000762737_100015343762 [1,0,0,0,0,0|3,0,0]=4 727 B9R0.2 CC(=O)NCCCCN[13CH3] 2230a_200011368371_200025704644 [1,0,0,0,0,0|3,0,0]=4 728 B9R0.2 CC(=O)NCCCCN[13CH3] 34a_200011368371_200025704644 [1,0,0,0,0,0|3,0,0]=4 729 B9R0.2 CC(=O)OCCCCO[13CH3] 34a_100000073216_200025704644 [1,0,0,0,0,0|3,0,0]=4 730 B9R0.2 CC(=O)OCCCCO[13CH3] 7a_100000073216_200025704644 [1,0,0,0,0,0|3,0,0]=4 731 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_100000033659_200025704644 [1,0,0,0,0,0|3,0,0]=4 732 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_200025704644_100000033659 [1,0,0,0,0,0|3,0,0]=4 733 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200010402107_200025704644 [1,0,0,0,0,0|3,0,0]=4 734 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200025704644_200010402107 [1,0,0,0,0,0|3,0,0]=4 735 B9R0.2 CC/C=C\CNCC(=O)N 2230a_100000711301_100103147603 [1,0,0,0,0,0|1,0,2]=4 736 B9R0.2 CC/C=C\CNCC(=O)O 269956a_100016091260_100103147603 [1,0,0,0,0,0|1,0,2]=4 737 B9R0.2 CC/C=C\COCC(=O)N 34a_100016268518_100000187820 [1,0,0,0,0,0|1,0,2]=4 738 B9R0.2 CC/C=C\CSCC(=O)N 62a_100000747473_100103147603 [1,0,0,0,0,0|1,0,2]=4 739 B9R0.2 CC/C=C\CSCC(=O)N 62a_100103147603_100000747473 [1,0,0,0,0,0|1,0,2]=4 740 B9R0.2 CC=CCOCCC(=O)N 34a_100000757172_100000070051 [1,0,0,0,0,0|1,0,2]=4 741 B9R0.2 CC=CCOCCC(=O)N 7a_100000757172_100000070051 [1,0,0,0,0,0|1,0,2]=4 742 B9R0.2 CC=CCSCCC(=O)N 62a_100000070051_100000744528 [1,0,0,0,0,0|1,0,2]=4 743 B9R0.2 CC=CCSCCC(=O)N 62a_100000744528_100000070051 [1,0,0,0,0,0|1,0,2]=4 744 B9R0.2 CCC#CCNCC(=O)N 2230a_100000711301_100009813939 [1,0,0,0,0,0|1,0,2]=4 745 B9R0.2 CCC#CCNCC(=O)O 269956a_100016091260_100009813939 [1,0,0,0,0,0|1,0,2]=4 746 B9R0.2 CCC#CCOCC(=O)N 34a_100000032950_100000187820 [1,0,0,0,0,0|1,0,2]=4 747 B9R0.2 CCC#CCSCC(=O)N 62a_100000747473_100009813939 [1,0,0,0,0,0|1,0,2]=4 748 B9R0.2 CCC#CCSCC(=O)N 62a_100009813939_100000747473 [1,0,0,0,0,0|1,0,2]=4 749 B9R0.2 CCCC/C=C/CC(=O)C 1458a_200016282684_200000210301 [1,0,0,0,0,0|1,0,2]=4 750 B9R0.2 CCCC/C=C/CC(=O)[13CH3] 1458a_200016282684_200025704644 [1,0,0,0,0,0|1,0,2]=4 751 B9R0.2 CCCCCC#CC(=O)C 1458a_100011215388_200000210301 [1,0,0,0,0,0|1,0,2]=4 752 B9R0.2 CCCCCC#CC(=O)[13CH3] 1458a_100011215388_200025704644 [1,0,0,0,0,0|1,0,2]=4 753 B9R0.2 CCCCCC=CC(=O)C 1458a_100016263427_200000210301 [1,0,0,0,0,0|1,0,2]=4 754 B9R0.2 CCCCCC=CC(=O)[13CH3] 1458a_100016263427_200025704644 [1,0,0,0,0,0|1,0,2]=4 755 B9R0.2 CCCCCCCC(=O)C 1458a_100000070787_100000210614 [1,0,0,0,0,0|1,0,0]=2 756 B9R0.2 CCCCCCCC(=O)C 1458a_100000211969_200000210301 [1,0,0,0,0,0|1,0,0]=2 757 B9R0.2 CCCCCCCC(=O)[13CH3] 1458a_100000211969_200025704644 [1,0,0,0,0,0|1,0,0]=2 758 B9R0.2 CCCCCCCN(C)C 2230a_100000228206_200000210301 [1,0,0,0,0,0|3,0,0]=4 759 B9R0.2 CCCCCCCN(C)C 2230a_100102631434_100000210681 [1,0,0,0,0,0|3,0,0]=4 760 B9R0.2 CCCCCCCN(C)C 269982a_100000228206_200000210301 [1,0,0,0,0,0|3,0,0]=4 761 B9R0.2 CCCCCCCN(C)C 269982a_100102631434_100000210681 [1,0,0,0,0,0|3,0,0]=4 762 B9R0.2 CCCCCCCN(C)[13CH3] 2230a_100000228206_200025704644 [1,0,0,0,0,0|3,0,0]=4 763 B9R0.2 CCCCCCCN(C)[13CH3] 269982a_100000228206_200025704644 [1,0,0,0,0,0|3,0,0]=4 764 B9R0.2 CCCCCCNC(=O)C 11a_100000210581_100015343762 [1,0,0,0,0,0|2,0,0]=3 765 B9R0.2 CCCCCCNC(=O)C 1626a_100000210581_100015343762 [1,0,0,0,0,0|2,0,0]=3 766 B9R0.2 CCCCCCNC(=O)C 240690a_100000210581_100015343762 [1,0,0,0,0,0|2,0,0]=3 767 B9R0.2 CCCCCCNC(=O)C 527a_100000210581_100103153847 [1,0,0,0,0,0|2,0,0]=3 768 B9R0.2 CCCCCNCC(=O)N 2230a_100000209983_100000747473 [1,0,0,0,0,0|1,0,0]=2 769 B9R0.2 CCCCCNCC(=O)N 2230a_100000711301_100000210326 [1,0,0,0,0,0|1,0,0]=2 770 B9R0.2 CCCCCNCC(=O)O 269956a_100016091260_100000210326 [1,0,0,0,0,0|1,0,0]=2 771 B9R0.2 CCCCCNCC(C)O 2230a_100000209983_100011218427 [1,0,0,0,0,0|2,0,1]=4 772 B9R0.2 CCCCCNCC(C)O 2230a_100000210904_100000210326 [1,0,0,0,0,0|2,0,1]=4 773 B9R0.2 CCCCCNCC(C)O 34a_100000210904_100000718602 [1,0,0,0,0,0|2,0,1]=4 774 B9R0.2 CCCCCNC[C@@H](C)O 2230a_100000209983_100009817552 [1,0,0,0,0,0|2,0,1]=4 775 B9R0.2 CCCCCNNC(=O)C 22a_100000694160_100000070787 [1,0,0,0,0,0|3,0,0]=4 776 B9R0.2 CCCCCOCC(=O)C 34a_100000211253_100000718602 [1,0,0,0,0,0|2,0,0]=3 777 B9R0.2 CCCCCOCC(=O)N 34a_100000210253_100000187820 [1,0,0,0,0,0|1,0,0]=2 778 B9R0.2 CCCCCOCC(=O)N 7a_100000210253_100000187820 [1,0,0,0,0,0|1,0,0]=2 779 B9R0.2 CCCCCOCC(=O)[O-] 34a_100000210253_100020667443 [1,0,0,0,0,0|1,0,1]=3 780 B9R0.2 CCCCCOCC(C)O 34a_100000210253_100011218427 [1,0,0,0,0,0|2,0,1]=4 781 B9R0.2 CCCCCOCC(C)O 7a_100000210253_100011218427 [1,0,0,0,0,0|2,0,1]=4 782 B9R0.2 CCCCCOC[C@@H](C)N 34a_100000737577_100000718602 [1,0,0,0,0,0|2,0,1]=4 783 B9R0.2 CCCCCOC[C@@H](C)O 34a_100000210253_100009817552 [1,0,0,0,0,0|2,0,1]=4 784 B9R0.2 CCCCCOC[C@@H](C)O 7a_100000210253_100009817552 [1,0,0,0,0,0|2,0,1]=4 785 B9R0.2 CCCCCOC[N+](=O)[O-] 34a_100000210253_100000761209 [1,0,0,0,0,0|2,0,1]=4 786 B9R0.2 CCCCCSCC(=O)N 62a_100000210326_100000747473 [1,0,0,0,0,0|1,0,0]=2 787 B9R0.2 CCCCCSCC(=O)N 62a_100000747473_100000210326 [1,0,0,0,0,0|1,0,0]=2 788 B9R0.2 CCCCCSCC(=O)[O-] 62a_100000210326_100020667443 [1,0,0,0,0,0|1,0,1]=3 789 B9R0.2 CCCCCSCC(=O)[O-] 62a_100020667443_100000210326 [1,0,0,0,0,0|1,0,1]=3 790 B9R0.2 CCCCCSCC(C)O 62a_100000210326_100011218427 [1,0,0,0,0,0|2,0,1]=4 791 B9R0.2 CCCCCSCC(C)O 62a_100011218427_100000210326 [1,0,0,0,0,0|2,0,1]=4 792 B9R0.2 CCCCCSC[C@@H](C)O 62a_100000210326_100009817552 [1,0,0,0,0,0|2,0,1]=4 793 B9R0.2 CCCCCSC[C@@H](C)O 62a_100009817552_100000210326 [1,0,0,0,0,0|2,0,1]=4 794 B9R0.2 CCCCCSC[N+](=O)[O-] 62a_100000210326_100000761209 [1,0,0,0,0,0|2,0,1]=4 795 B9R0.2 CCCCNCCC(=O)C 7a_106832991798_100000053229 [1,0,0,0,0,0|2,0,0]=3 796 B9R0.2 CCCCNCCC(=O)N 2230a_100000102301_100000744528 [1,0,0,0,0,0|1,0,0]=2 797 B9R0.2 CCCCNCCC(=O)N 7a_106832991798_100000744528 [1,0,0,0,0,0|1,0,0]=2 798 B9R0.2 CCCCNCCC(C)O 2230a_100000102301_100012276601 [1,0,0,0,0,0|2,0,1]=4 799 B9R0.2 CCCCNCCC(C)O 2230a_200000755665_100000210211 [1,0,0,0,0,0|2,0,1]=4 800 B9R0.2 CCCCNCCC(C)O 7a_106832991798_100012276601 [1,0,0,0,0,0|2,0,1]=4 801 B9R0.2 CCCCNOCC(=O)O 269956a_100000106656_100000210211 [1,0,0,0,0,0|2,0,0]=3 802 B9R0.2 CCCCOCCC(=O)C 1458a_100000070787_100000743108 [1,0,0,0,0,0|2,0,0]=3 803 B9R0.2 CCCCOCCC(=O)C 34a_100000759926_100000210210 [1,0,0,0,0,0|2,0,0]=3 804 B9R0.2 CCCCOCCC(=O)C 7a_100000210227_100000053229 [1,0,0,0,0,0|2,0,0]=3 805 B9R0.2 CCCCOCCC(=O)C 7a_100000759926_100000210211 [1,0,0,0,0,0|2,0,0]=3 806 B9R0.2 CCCCOCCC(=O)N 34a_100000210227_100000731001 [1,0,0,0,0,0|1,0,0]=2 807 B9R0.2 CCCCOCCC(=O)N 34a_100000757172_100000210210 [1,0,0,0,0,0|1,0,0]=2 808 B9R0.2 CCCCOCCC(=O)N 7a_100000210227_100000744528 [1,0,0,0,0,0|1,0,0]=2 809 B9R0.2 CCCCOCCC(=O)N 7a_100000757172_100000210211 [1,0,0,0,0,0|1,0,0]=2 810 B9R0.2 CCCCOCCC(C)O 34a_100000210227_100012276601 [1,0,0,0,0,0|2,0,1]=4 811 B9R0.2 CCCCOCCC(C)O 7a_100000210227_100012276601 [1,0,0,0,0,0|2,0,1]=4 812 B9R0.2 CCCCOCC[C@@H](C)N 34a_100000706166_100000210210 [1,0,0,0,0,0|2,0,1]=4 813 B9R0.2 CCCCOCOC(=O)C 34a_100000210227_100009813279 [1,0,0,0,0,0|3,0,0]=4 814 B9R0.2 CCCCSCCC(=O)C 62a_100000053229_100000210210 [1,0,0,0,0,0|2,0,0]=3 815 B9R0.2 CCCCSCCC(=O)C 62a_100000210211_100000053229 [1,0,0,0,0,0|2,0,0]=3 816 B9R0.2 CCCCSCCC(=O)N 62a_100000210211_100000744528 [1,0,0,0,0,0|1,0,0]=2 817 B9R0.2 CCCCSCCC(=O)N 62a_100000744528_100000210210 [1,0,0,0,0,0|1,0,0]=2 818 B9R0.2 CCCCSCCC(C)O 62a_100000210211_100012276601 [1,0,0,0,0,0|2,0,1]=4 819 B9R0.2 CCCCSCCC(C)O 62a_100012276601_100000210210 [1,0,0,0,0,0|2,0,1]=4 820 B9R0.2 CCCCSCOC(=O)C 62a_100000076356_100000210210 [1,0,0,0,0,0|3,0,0]=4 821 B9R0.2 CCCCSCOC(=O)C 62a_100000210211_100000076356 [1,0,0,0,0,0|3,0,0]=4 822 B9R0.2 CCCNCCCC(=O)N 34a_100000739312_100000210303 [1,0,0,0,0,0|1,0,0]=2 823 B9R0.2 CCCNCCCS(=O)C 2230a_200000753449_100000210303 [1,0,0,0,0,0|3,0,0]=4 824 B9R0.2 CCCNCCNC(=O)C 2230a_100000209853_100000210303 [1,0,0,0,0,0|3,0,0]=4 825 B9R0.2 CCCNCCNC(=O)N 34a_100020590234_100000210303 [1,0,0,0,0,0|2,0,0]=3 826 B9R0.2 CCCOCCCC(=O)C 34a_100000210258_100000685027 [1,0,0,0,0,0|2,0,0]=3 827 B9R0.2 CCCOCCCC(=O)C 34a_100000759063_100000210303 [1,0,0,0,0,0|2,0,0]=3 828 B9R0.2 CCCOCCCC(=O)C 7a_100000759063_100000210303 [1,0,0,0,0,0|2,0,0]=3 829 B9R0.2 CCCOCCCC(=O)N 34a_100000210258_100102525003 [1,0,0,0,0,0|1,0,0]=2 830 B9R0.2 CCCOCCCC(C)O 34a_100000210258_200000718107 [1,0,0,0,0,0|2,0,1]=4 831 B9R0.2 CCCOCCC[N+](=O)[O-] 34a_200000037920_100000210303 [1,0,0,0,0,0|2,0,1]=4 832 B9R0.2 CCCOCCNC(=O)C 1626a_100161115042_100015343762 [1,0,0,0,0,0|3,0,0]=4 833 B9R0.2 CCCOCCNC(=O)C 240690a_100161115042_100015343762 [1,0,0,0,0,0|3,0,0]=4 834 B9R0.2 CCCOCCNC(=O)C 34a_100000158858_100000210303 [1,0,0,0,0,0|3,0,0]=4 835 B9R0.2 CCCOCCNC(=O)C 527a_100161115042_100103153847 [1,0,0,0,0,0|3,0,0]=4 836 B9R0.2 CCCOCCNC(=O)N 34a_100000181757_100000210303 [1,0,0,0,0,0|2,0,0]=3 837 B9R0.2 CCCOCCOC(=O)C 34a_100000210258_100009814007 [1,0,0,0,0,0|3,0,0]=4 838 B9R0.2 CCCOCCOC(=O)N 34a_100000210258_200011214921 [1,0,0,0,0,0|2,0,0]=3 839 B9R0.2 CCCOCCOC(=O)N 7a_100000766696_100000210303 [1,0,0,0,0,0|2,0,0]=3 840 B9R0.2 CCCSCCCC(=O)C 62a_100000210303_100011215641 [1,0,0,0,0,0|2,0,0]=3 841 B9R0.2 CCCSCCCC(=O)C 62a_100011215641_100000210303 [1,0,0,0,0,0|2,0,0]=3 842 B9R0.2 CCCSCCCC(=O)N 62a_100000210303_100102525003 [1,0,0,0,0,0|1,0,0]=2 843 B9R0.2 CCCSCCCC(=O)N 62a_100102525003_100000210303 [1,0,0,0,0,0|1,0,0]=2 844 B9R0.2 CCCSCCCC(C)O 62a_100000210303_200000718107 [1,0,0,0,0,0|2,0,1]=4 845 B9R0.2 CCCSCCCC(C)O 62a_200000718107_100000210303 [1,0,0,0,0,0|2,0,1]=4 846 B9R0.2 CCCSCCNC(=O)C 11a_100020603323_100015343762 [1,0,0,0,0,0|3,0,0]=4 847 B9R0.2 CCCSCCNC(=O)C 240690a_100020603323_100015343762 [1,0,0,0,0,0|3,0,0]=4 848 B9R0.2 CCCSCCNC(=O)C 527a_100020603323_100103153847 [1,0,0,0,0,0|3,0,0]=4 849 B9R0.2 CCCSCCNC(=O)C 62a_100000189650_100000210303 [1,0,0,0,0,0|3,0,0]=4 850 B9R0.2 CCCSCCNC(=O)C 62a_100000210303_100000189650 [1,0,0,0,0,0|3,0,0]=4 851 B9R0.2 CCCSCCNC(=O)N 62a_100000210303_200000034859 [1,0,0,0,0,0|2,0,0]=3 852 B9R0.2 CCCSCCNC(=O)N 62a_200000034859_100000210303 [1,0,0,0,0,0|2,0,0]=3 853 B9R0.2 CCCSCCOC(=O)C 62a_100000210303_100009814007 [1,0,0,0,0,0|3,0,0]=4 854 B9R0.2 CCCSCCOC(=O)C 62a_100009814007_100000210303 [1,0,0,0,0,0|3,0,0]=4 855 B9R0.2 CCCSCCOC(=O)N 62a_100000210303_200011214921 [1,0,0,0,0,0|2,0,0]=3 856 B9R0.2 CCCSCCOC(=O)N 62a_200011214921_100000210303 [1,0,0,0,0,0|2,0,0]=3 857 B9R0.2 CCNCCCCB(O)O 2230a_100015525214_200009817182 [1,0,0,0,0,0|2,0,1]=4 858 B9R0.2 CCNCCCCC(=O)N 34a_100000696515_100000210202 [1,0,0,0,0,0|1,0,0]=2 859 B9R0.2 CCNCCCNC(=O)C 34a_100000736810_100000210202 [1,0,0,0,0,0|3,0,0]=4 860 B9R0.2 CCNCCCSC(=O)C 2230a_100015525214_100000038929 [1,0,0,0,0,0|3,0,0]=4 861 B9R0.2 CCNCCOCC(=O)N 2230a_100015525214_100000076697 [1,0,0,0,0,0|2,0,0]=3 862 B9R0.2 CCNCCOCC(=O)O 269956a_100000700818_100000210202 [1,0,0,0,0,0|2,0,0]=3 863 B9R0.2 CCOCCCCB(O)O 34a_100121572206_200009817182 [1,0,0,0,0,0|2,0,1]=4 864 B9R0.2 CCOCCCCC(=O)C 34a_100121572206_100009817362 [1,0,0,0,0,0|2,0,0]=3 865 B9R0.2 CCOCCCCC(=O)N 34a_100012022536_100000210202 [1,0,0,0,0,0|1,0,0]=2 866 B9R0.2 CCOCCCCC(=O)N 7a_100012022536_100000210202 [1,0,0,0,0,0|1,0,0]=2 867 B9R0.2 CCOCCCC[N+](=O)[O-] 34a_200015379883_100000210202 [1,0,0,0,0,0|2,0,1]=4 868 B9R0.2 CCOCCCC[N+](=O)[O-] 7a_200015379883_100000210202 [1,0,0,0,0,0|2,0,1]=4 869 B9R0.2 CCOCCCNC(=O)C 11a_100000210961_100015343762 [1,0,0,0,0,0|3,0,0]=4 870 B9R0.2 CCOCCCNC(=O)C 1626a_100000210961_100015343762 [1,0,0,0,0,0|3,0,0]=4 871 B9R0.2 CCOCCCNC(=O)C 240690a_100000210961_100015343762 [1,0,0,0,0,0|3,0,0]=4 872 B9R0.2 CCOCCCNC(=O)C 34a_100000752032_100000210202 [1,0,0,0,0,0|3,0,0]=4 873 B9R0.2 CCOCCCNC(=O)C 527a_100000210961_100103153847 [1,0,0,0,0,0|3,0,0]=4 874 B9R0.2 CCOCCCOC(=O)C 34a_100121572206_100000042594 [1,0,0,0,0,0|3,0,0]=4 875 B9R0.2 CCOCCCSC(=O)C 34a_100121572206_100000038929 [1,0,0,0,0,0|3,0,0]=4 876 B9R0.2 CCOCCNCC(=O)N 2230a_100000711301_100011215890 [1,0,0,0,0,0|2,0,0]=3 877 B9R0.2 CCOCCNCC(=O)N 2230a_102516460346_100000747473 [1,0,0,0,0,0|2,0,0]=3 878 B9R0.2 CCOCCNCC(=O)N 34a_102516460346_100000187820 [1,0,0,0,0,0|2,0,0]=3 879 B9R0.2 CCOCCNCC(=O)O 269956a_100016091260_100000210147 [1,0,0,0,0,0|2,0,0]=3 880 B9R0.2 CCOCCNCC(=O)[O-] 34a_102516460346_100020667443 [1,0,0,0,0,0|2,0,1]=4 881 B9R0.2 CCOCCOCC(=O)C 34a_100000211253_100000210147 [1,0,0,0,0,0|3,0,0]=4 882 B9R0.2 CCOCCOCC(=O)N 34a_100000210136_100000187820 [1,0,0,0,0,0|2,0,0]=3 883 B9R0.2 CCOCCOCC(=O)N 34a_100121572206_100000076697 [1,0,0,0,0,0|2,0,0]=3 884 B9R0.2 CCOCCOCC(=O)N 7a_100000210136_100000187820 [1,0,0,0,0,0|2,0,0]=3 885 B9R0.2 CCOCCOCC(=O)[O-] 34a_100000210136_100020667443 [1,0,0,0,0,0|2,0,1]=4 886 B9R0.2 CCOCCSCC(=O)N 62a_100000210147_100000747473 [1,0,0,0,0,0|2,0,0]=3 887 B9R0.2 CCOCCSCC(=O)N 62a_100000747473_100011215890 [1,0,0,0,0,0|2,0,0]=3 888 B9R0.2 CCOCCSCC(=O)[O-] 62a_100000210147_100020667443 [1,0,0,0,0,0|2,0,1]=4 889 B9R0.2 CCOCCSCC(=O)[O-] 62a_100020667443_100011215890 [1,0,0,0,0,0|2,0,1]=4 890 B9R0.2 CCOCNOCC(=O)O 269956a_100000106656_100000739092 [1,0,0,0,0,0|3,0,0]=4 891 B9R0.2 CCOCSCCC(=O)C 62a_100000053229_100000739092 [1,0,0,0,0,0|3,0,0]=4 892 B9R0.2 CCOCSCCC(=O)C 62a_100000739092_100000053229 [1,0,0,0,0,0|3,0,0]=4 893 B9R0.2 CCOCSCCC(=O)N 62a_100000739092_100000744528 [1,0,0,0,0,0|2,0,0]=3 894 B9R0.2 CCOCSCCC(=O)N 62a_100000744528_100000739092 [1,0,0,0,0,0|2,0,0]=3 895 B9R0.2 CCSCCCCB(O)O 62a_100000210202_200009817182 [1,0,0,0,0,0|2,0,1]=4 896 B9R0.2 CCSCCCCB(O)O 62a_200009817182_100000210202 [1,0,0,0,0,0|2,0,1]=4 897 B9R0.2 CCSCCCCC(=O)C 62a_100000210202_100000735457 [1,0,0,0,0,0|2,0,0]=3 898 B9R0.2 CCSCCCCC(=O)C 62a_100000735457_100000210202 [1,0,0,0,0,0|2,0,0]=3 899 B9R0.2 CCSCCCOC(=O)C 62a_100000042594_100000210202 [1,0,0,0,0,0|3,0,0]=4 900 B9R0.2 CCSCCCOC(=O)C 62a_100000210202_100000042594 [1,0,0,0,0,0|3,0,0]=4 901 B9R0.2 CCSCCCSC(=O)C 62a_100000038929_100000210202 [1,0,0,0,0,0|3,0,0]=4 902 B9R0.2 CCSCCCSC(=O)C 62a_100000210202_100000038929 [1,0,0,0,0,0|3,0,0]=4 903 B9R0.2 CCSCCNCC(=O)N 2230a_100000106463_100000747473 [1,0,0,0,0,0|2,0,0]=3 904 B9R0.2 CCSCCNCC(=O)N 2230a_100000711301_100000757381 [1,0,0,0,0,0|2,0,0]=3 905 B9R0.2 CCSCCNCC(=O)O 269956a_100016091260_100000757381 [1,0,0,0,0,0|2,0,0]=3 906 B9R0.2 CCSCCOCC(=O)C 34a_100000211253_100000757381 [1,0,0,0,0,0|3,0,0]=4 907 B9R0.2 CCSCCOCC(=O)N 34a_100000212035_100000187820 [1,0,0,0,0,0|2,0,0]=3 908 B9R0.2 CCSCCOCC(=O)N 62a_100000076697_100000210202 [1,0,0,0,0,0|2,0,0]=3 909 B9R0.2 CCSCCOCC(=O)N 62a_100000210202_100000076697 [1,0,0,0,0,0|2,0,0]=3 910 B9R0.2 CCSCCOCC(=O)N 7a_100000212035_100000187820 [1,0,0,0,0,0|2,0,0]=3 911 B9R0.2 CCSCCOCC(=O)[O-] 34a_100000212035_100020667443 [1,0,0,0,0,0|2,0,1]=4 912 B9R0.2 CCSCCSCC(=O)N 62a_100000747473_100000757381 [1,0,0,0,0,0|2,0,0]=3 913 B9R0.2 CCSCCSCC(=O)N 62a_100000757381_100000747473 [1,0,0,0,0,0|2,0,0]=3 914 B9R0.2 CCSCCSCC(=O)[O-] 62a_100000757381_100020667443 [1,0,0,0,0,0|2,0,1]=4 915 B9R0.2 CCSCCSCC(=O)[O-] 62a_100020667443_100000757381 [1,0,0,0,0,0|2,0,1]=4 916 B9R0.2 CNCCCCCB(O)O 2230a_106832991635_200009817188 [1,0,0,0,0,0|2,0,1]=4 917 B9R0.2 CNCCCCCB(O)O 34a_100102657272_200009817188 [1,0,0,0,0,0|2,0,1]=4 918 B9R0.2 CNCCCCCB(O)O 7a_106832991635_200009817188 [1,0,0,0,0,0|2,0,1]=4 919 B9R0.2 CNCCCCCC(=O)N 2230a_106832991635_100009817443 [1,0,0,0,0,0|1,0,0]=2 920 B9R0.2 CNCCCCCC(=O)N 34a_100102657272_100009817443 [1,0,0,0,0,0|1,0,0]=2 921 B9R0.2 CNCCCCCC(=O)N 7a_106832991635_100009817443 [1,0,0,0,0,0|1,0,0]=2 922 B9R0.2 CNCCCCNC(=O)C 2230a_200011368371_200000210301 [1,0,0,0,0,0|3,0,0]=4 923 B9R0.2 CNCCCCNC(=O)C 34a_200011368371_200000210301 [1,0,0,0,0,0|3,0,0]=4 924 B9R0.2 CNCCCCOC(=O)C 34a_100102657272_100000033659 [1,0,0,0,0,0|3,0,0]=4 925 B9R0.2 CNCCCCOC(=O)C 7a_106832991635_100000033659 [1,0,0,0,0,0|3,0,0]=4 926 B9R0.2 CNCCCCSC(=O)C 2230a_106832991635_200010402107 [1,0,0,0,0,0|3,0,0]=4 927 B9R0.2 CNCCCCSC(=O)C 34a_100102657272_200010402107 [1,0,0,0,0,0|3,0,0]=4 928 B9R0.2 CNCCCCSC(=O)C 7a_106832991635_200010402107 [1,0,0,0,0,0|3,0,0]=4 929 B9R0.2 CNCCCOCC(=O)N 34a_100000213112_100000187820 [1,0,0,0,0,0|2,0,0]=3 930 B9R0.2 CNCCCOCC(=O)[O-] 34a_100000213112_100020667443 [1,0,0,0,0,0|2,0,1]=4 931 B9R0.2 COCCCCCB(O)O 34a_100138415774_200009817188 [1,0,0,0,0,0|2,0,1]=4 932 B9R0.2 COCCCCCC(=O)C 1458a_100011935119_200000210301 [1,0,0,0,0,0|2,0,0]=3 933 B9R0.2 COCCCCCC(=O)N 34a_100000123541_200000210301 [1,0,0,0,0,0|1,0,0]=2 934 B9R0.2 COCCCCCC(=O)N 34a_100138415774_100009817443 [1,0,0,0,0,0|1,0,0]=2 935 B9R0.2 COCCCCCC(=O)N 7a_100000123541_200000210301 [1,0,0,0,0,0|1,0,0]=2 936 B9R0.2 COCCCCCC(=O)[13CH3] 1458a_100011935119_200025704644 [1,0,0,0,0,0|2,0,0]=3 937 B9R0.2 COCCCCCC(=O)[O-] 7a_100102619762_200000210301 [1,0,0,0,0,0|1,0,1]=3 938 B9R0.2 COCCCCOC(=O)C 34a_100000073216_200000210301 [1,0,0,0,0,0|3,0,0]=4 939 B9R0.2 COCCCCOC(=O)C 34a_100138415774_100000033659 [1,0,0,0,0,0|3,0,0]=4 940 B9R0.2 COCCCCOC(=O)C 7a_100000073216_200000210301 [1,0,0,0,0,0|3,0,0]=4 941 B9R0.2 COCCCCSC(=O)C 34a_100138415774_200010402107 [1,0,0,0,0,0|3,0,0]=4 942 B9R0.2 COCCCNCC(=O)N 2230a_100000711301_100000740836 [1,0,0,0,0,0|2,0,0]=3 943 B9R0.2 COCCCNCC(=O)N 34a_100150723488_100000187820 [1,0,0,0,0,0|2,0,0]=3 944 B9R0.2 COCCCNCC(=O)O 269956a_100016091260_100000740836 [1,0,0,0,0,0|2,0,0]=3 945 B9R0.2 COCCCNCC(=O)[O-] 34a_100150723488_100020667443 [1,0,0,0,0,0|2,0,1]=4 946 B9R0.2 COCCCOCC(=O)C 34a_100000211253_100000740836 [1,0,0,0,0,0|3,0,0]=4 947 B9R0.2 COCCCOCC(=O)N 34a_100000740835_100000187820 [1,0,0,0,0,0|2,0,0]=3 948 B9R0.2 COCCCOCC(=O)[O-] 34a_100000740835_100020667443 [1,0,0,0,0,0|2,0,1]=4 949 B9R0.2 COCCCSCC(=O)N 62a_100000709357_100000747473 [1,0,0,0,0,0|2,0,0]=3 950 B9R0.2 COCCCSCC(=O)N 62a_100000747473_100000709357 [1,0,0,0,0,0|2,0,0]=3 951 B9R0.2 COCCCSCC(=O)[O-] 62a_100000709357_100020667443 [1,0,0,0,0,0|2,0,1]=4 952 B9R0.2 COCCCSCC(=O)[O-] 62a_100020667443_100000709357 [1,0,0,0,0,0|2,0,1]=4 953 B9R0.2 COCCNCCC(=O)N 2230a_100000209980_100000744528 [1,0,0,0,0,0|2,0,0]=3 954 B9R0.2 COCCNOCC(=O)O 269956a_100000106656_100000233755 [1,0,0,0,0,0|3,0,0]=4 955 B9R0.2 COCCOCCC(=O)C 1458a_100000070787_100000695917 [1,0,0,0,0,0|3,0,0]=4 956 B9R0.2 COCCOCCC(=O)C 1458a_100000745395_200000210301 [1,0,0,0,0,0|3,0,0]=4 957 B9R0.2 COCCOCCC(=O)C 34a_100000759926_100011201679 [1,0,0,0,0,0|3,0,0]=4 958 B9R0.2 COCCOCCC(=O)C 7a_100000759926_100000233755 [1,0,0,0,0,0|3,0,0]=4 959 B9R0.2 COCCOCCC(=O)N 34a_100000210237_100000731001 [1,0,0,0,0,0|2,0,0]=3 960 B9R0.2 COCCOCCC(=O)N 34a_100000757172_100011201679 [1,0,0,0,0,0|2,0,0]=3 961 B9R0.2 COCCOCCC(=O)N 7a_100000757172_100000233755 [1,0,0,0,0,0|2,0,0]=3 962 B9R0.2 COCCOCCC(=O)[13CH3] 1458a_100000745395_200025704644 [1,0,0,0,0,0|3,0,0]=4 963 B9R0.2 COCCSCCC(=O)C 62a_100000053229_100000233755 [1,0,0,0,0,0|3,0,0]=4 964 B9R0.2 COCCSCCC(=O)C 62a_100000233755_100000053229 [1,0,0,0,0,0|3,0,0]=4 965 B9R0.2 COCCSCCC(=O)N 62a_100000233755_100000744528 [1,0,0,0,0,0|2,0,0]=3 966 B9R0.2 COCCSCCC(=O)N 62a_100000744528_100000233755 [1,0,0,0,0,0|2,0,0]=3 967 B9R0.2 COCSCCCC(=O)C 62a_100000766300_100011215641 [1,0,0,0,0,0|3,0,0]=4 968 B9R0.2 COCSCCCC(=O)C 62a_100011215641_100000766300 [1,0,0,0,0,0|3,0,0]=4 969 B9R0.2 COCSCCCC(=O)N 62a_100000766300_100102525003 [1,0,0,0,0,0|2,0,0]=3 970 B9R0.2 COCSCCCC(=O)N 62a_100102525003_100000766300 [1,0,0,0,0,0|2,0,0]=3 971 B9R0.2 COCSCCNC(=O)N 62a_100000766300_200000034859 [1,0,0,0,0,0|3,0,0]=4 972 B9R0.2 COCSCCNC(=O)N 62a_200000034859_100000766300 [1,0,0,0,0,0|3,0,0]=4 973 B9R0.2 COCSCCOC(=O)N 62a_100000766300_200011214921 [1,0,0,0,0,0|3,0,0]=4 974 B9R0.2 COCSCCOC(=O)N 62a_200011214921_100000766300 [1,0,0,0,0,0|3,0,0]=4 975 B9R0.2 CSCCCCCB(O)O 62a_200000210301_200009817188 [1,0,0,0,0,0|2,0,1]=4 976 B9R0.2 CSCCCCCB(O)O 62a_200009817188_200000210301 [1,0,0,0,0,0|2,0,1]=4 977 B9R0.2 CSCCCCCC(=O)N 62a_100009817443_200000210301 [1,0,0,0,0,0|1,0,0]=2 978 B9R0.2 CSCCCCCC(=O)N 62a_200000210301_100009817443 [1,0,0,0,0,0|1,0,0]=2 979 B9R0.2 CSCCCCOC(=O)C 62a_100000033659_200000210301 [1,0,0,0,0,0|3,0,0]=4 980 B9R0.2 CSCCCCOC(=O)C 62a_200000210301_100000033659 [1,0,0,0,0,0|3,0,0]=4 981 B9R0.2 CSCCCCSC(=O)C 62a_200000210301_200010402107 [1,0,0,0,0,0|3,0,0]=4 982 B9R0.2 CSCCCCSC(=O)C 62a_200010402107_200000210301 [1,0,0,0,0,0|3,0,0]=4 983 B9R0.2 CSCCCNCC(=O)N 2230a_100000749238_100000747473 [1,0,0,0,0,0|2,0,0]=3 984 B9R0.2 CSCCCOCC(=O)N 34a_100000690336_100000187820 [1,0,0,0,0,0|2,0,0]=3 985 B9R0.2 CSCCCOCC(=O)N 7a_100000690336_100000187820 [1,0,0,0,0,0|2,0,0]=3 986 B9R0.2 CSCCCOCC(=O)[O-] 34a_100000690336_100020667443 [1,0,0,0,0,0|2,0,1]=4 987 B9R0.2 CSCCNCCC(=O)N 2230a_100020590264_100000744528 [1,0,0,0,0,0|2,0,0]=3 988 B9R0.2 CSCCNOCC(=O)O 269956a_100000106656_100000212216 [1,0,0,0,0,0|3,0,0]=4 989 B9R0.2 CSCCOCCC(=O)C 34a_100000759926_100000212216 [1,0,0,0,0,0|3,0,0]=4 990 B9R0.2 CSCCOCCC(=O)C 7a_100000230434_100000053229 [1,0,0,0,0,0|3,0,0]=4 991 B9R0.2 CSCCOCCC(=O)C 7a_100000759926_100000212216 [1,0,0,0,0,0|3,0,0]=4 992 B9R0.2 CSCCOCCC(=O)N 34a_100000230434_100000731001 [1,0,0,0,0,0|2,0,0]=3 993 B9R0.2 CSCCOCCC(=O)N 34a_100000757172_100000212216 [1,0,0,0,0,0|2,0,0]=3 994 B9R0.2 CSCCOCCC(=O)N 7a_100000230434_100000744528 [1,0,0,0,0,0|2,0,0]=3 995 B9R0.2 CSCCOCCC(=O)N 7a_100000757172_100000212216 [1,0,0,0,0,0|2,0,0]=3 996 B9R0.2 CSCCSCCC(=O)C 62a_100000053229_100000751147 [1,0,0,0,0,0|3,0,0]=4 997 B9R0.2 CSCCSCCC(=O)C 62a_100000212216_100000053229 [1,0,0,0,0,0|3,0,0]=4 998 B9R0.2 CSCCSCCC(=O)N 62a_100000212216_100000744528 [1,0,0,0,0,0|2,0,0]=3 999 B9R0.2 CSCCSCCC(=O)N 62a_100000744528_100000751147 [1,0,0,0,0,0|2,0,0]=3 1000 B9R0.2 CSCNCCCC(=O)N 34a_100000739312_100011218213 [1,0,0,0,0,0|2,0,0]=3 1001 B9R0.2 CSCNCCNC(=O)N 34a_100020590234_100011218213 [1,0,0,0,0,0|3,0,0]=4 1002 B9R0.2 CSCOCCCC(=O)C 34a_100000759063_100011218213 [1,0,0,0,0,0|3,0,0]=4 1003 B9R0.2 CSCOCCNC(=O)N 34a_100000181757_100011218213 [1,0,0,0,0,0|3,0,0]=4 1004 B9R0.2 CSCSCCCC(=O)C 62a_100011215641_100011218213 [1,0,0,0,0,0|3,0,0]=4 1005 B9R0.2 CSCSCCCC(=O)C 62a_100011218213_100011215641 [1,0,0,0,0,0|3,0,0]=4 1006 B9R0.2 CSCSCCCC(=O)N 62a_100011218213_100102525003 [1,0,0,0,0,0|2,0,0]=3 1007 B9R0.2 CSCSCCCC(=O)N 62a_100102525003_100011218213 [1,0,0,0,0,0|2,0,0]=3 1008 B9R0.2 CSCSCCNC(=O)N 62a_100011218213_200000034859 [1,0,0,0,0,0|3,0,0]=4 1009 B9R0.2 CSCSCCNC(=O)N 62a_200000034859_100011218213 [1,0,0,0,0,0|3,0,0]=4 1010 B9R0.2 CSCSCCOC(=O)N 62a_100011218213_200011214921 [1,0,0,0,0,0|3,0,0]=4 1011 B9R0.2 CSCSCCOC(=O)N 62a_200011214921_100011218213 [1,0,0,0,0,0|3,0,0]=4 1012 B9R0.2 N#CCCCNCC(=O)N 2230a_100000711301_100000687738 [1,0,0,0,0,0|2,0,1]=4 1013 B9R0.2 N#CCCCNCC(=O)O 269956a_100016091260_100000687738 [1,0,0,0,0,0|2,0,1]=4 1014 B9R0.2 N#CCCCSCC(=O)N 62a_100000687738_100000747473 [1,0,0,0,0,0|2,0,1]=4 1015 B9R0.2 N#CCCCSCC(=O)N 62a_100000747473_100000687738 [1,0,0,0,0,0|2,0,1]=4 1016 B9R0.2 N#CCCOCCC(=O)N 7a_100000757172_100000184422 [1,0,0,0,0,0|2,0,1]=4 1017 B9R0.2 N#CCCSCCC(=O)N 62a_100000744528_100011215226 [1,0,0,0,0,0|2,0,1]=4 1018 B9R0.2 N#CCCSCCC(=O)N 62a_100011215226_100000744528 [1,0,0,0,0,0|2,0,1]=4 1019 B9R0.2 N#CCSCCCC(=O)N 62a_100011215382_100102525003 [1,0,0,0,0,0|2,0,1]=4 1020 B9R0.2 N#CCSCCCC(=O)N 62a_100102525003_100011215382 [1,0,0,0,0,0|2,0,1]=4 1021 B9R0.2 NC(=O)CCCCNCF 34a_100000696515_100015361967 [1,0,0,0,0,0|2,0,0]=3 1022 B9R0.2 NC(=O)CCCCOCF 34a_100012022536_100015361967 [1,0,0,0,0,0|2,0,0]=3 1023 B9R0.2 NC(=O)CCCCOCF 7a_100012022536_100015361967 [1,0,0,0,0,0|2,0,0]=3 1024 B9R0.2 NC(=O)CCCNCC=O 34a_100000739312_200009817547 [1,0,0,0,0,0|2,0,1]=4 1025 B9R0.2 NC(=O)CCCNCCF 34a_100000724931_100102525003 [1,0,0,0,0,0|2,0,0]=3 1026 B9R0.2 NC(=O)CCCNCCF 34a_100000739312_100011217306 [1,0,0,0,0,0|2,0,0]=3 1027 B9R0.2 NC(=O)CCCNCCO 34a_100000739312_100000211926 [1,0,0,0,0,0|2,0,0]=3 1028 B9R0.2 NC(=O)CCCNCCO 34a_100016990907_100102525003 [1,0,0,0,0,0|2,0,0]=3 1029 B9R0.2 NC(=O)CCCOCCBr 34a_100000211926_100102525003 [1,0,0,0,0,0|2,0,0]=3 1030 B9R0.2 NC(=O)CCCSCC=O 62a_100102525003_200015260668 [1,0,0,0,0,0|2,0,1]=4 1031 B9R0.2 NC(=O)CCCSCC=O 62a_200015260668_100102525003 [1,0,0,0,0,0|2,0,1]=4 1032 B9R0.2 NC(=O)CCCSCCF 62a_100011217306_100102525003 [1,0,0,0,0,0|2,0,0]=3 1033 B9R0.2 NC(=O)CCCSCCF 62a_100102525003_100011217306 [1,0,0,0,0,0|2,0,0]=3 1034 B9R0.2 NC(=O)CCCSCCO 62a_100000211926_100102525003 [1,0,0,0,0,0|2,0,0]=3 1035 B9R0.2 NC(=O)CCCSCCO 62a_100102525003_100000211926 [1,0,0,0,0,0|2,0,0]=3 1036 B9R0.2 NC(=O)CCNCCCF 2230a_100015189416_100000744528 [1,0,0,0,0,0|2,0,0]=3 1037 B9R0.2 NC(=O)CCNCCCF 34a_100015189416_100000731001 [1,0,0,0,0,0|2,0,0]=3 1038 B9R0.2 NC(=O)CCOCCCBr 34a_100011217188_100000731001 [1,0,0,0,0,0|2,0,0]=3 1039 B9R0.2 NC(=O)CCOCCCCl 34a_100000230001_100000731001 [1,0,0,0,0,0|2,0,0]=3 1040 B9R0.2 NC(=O)CCOCCCF 34a_100000757172_100011934791 [1,0,0,0,0,0|2,0,0]=3 1041 B9R0.2 NC(=O)CCOCCCF 34a_100000759539_100000731001 [1,0,0,0,0,0|2,0,0]=3 1042 B9R0.2 NC(=O)CCOCCCF 7a_100000757172_100011934791 [1,0,0,0,0,0|2,0,0]=3 1043 B9R0.2 NC(=O)CCOCCCO 34a_100000757172_100000230001 [1,0,0,0,0,0|2,0,0]=3 1044 B9R0.2 NC(=O)CCOCCCO 7a_100000757172_100011215043 [1,0,0,0,0,0|2,0,0]=3 1045 B9R0.2 NC(=O)CCSCCCF 62a_100000744528_100011934791 [1,0,0,0,0,0|2,0,0]=3 1046 B9R0.2 NC(=O)CCSCCCF 62a_100011934791_100000744528 [1,0,0,0,0,0|2,0,0]=3 1047 B9R0.2 NC(=O)CCSCCCO 62a_100000744528_100011215043 [1,0,0,0,0,0|2,0,0]=3 1048 B9R0.2 NC(=O)CCSCCCO 62a_100011215043_100000744528 [1,0,0,0,0,0|2,0,0]=3 1049 B9R0.2 NC(=O)CNCCCC=O 2230a_100000711301_200011292268 [1,0,0,0,0,0|2,0,1]=4 1050 B9R0.2 NC(=O)CNCCCCF 2230a_100000711301_100000729493 [1,0,0,0,0,0|2,0,0]=3 1051 B9R0.2 NC(=O)CNCCCCO 2230a_100000711301_100000210776 [1,0,0,0,0,0|2,0,0]=3 1052 B9R0.2 NC(=O)CNCCCCO 2230a_100000750430_100000747473 [1,0,0,0,0,0|2,0,0]=3 1053 B9R0.2 NC(=O)CNCCCCO 34a_100000750430_100000187820 [1,0,0,0,0,0|2,0,0]=3 1054 B9R0.2 NC(=O)COCCCCBr 34a_100011216708_100000187820 [1,0,0,0,0,0|2,0,0]=3 1055 B9R0.2 NC(=O)COCCCCCl 34a_100000210776_100000187820 [1,0,0,0,0,0|2,0,0]=3 1056 B9R0.2 NC(=O)COCCCCCl 7a_100000210776_100000187820 [1,0,0,0,0,0|2,0,0]=3 1057 B9R0.2 NC(=O)COCCCCF 34a_100011995726_100000187820 [1,0,0,0,0,0|2,0,0]=3 1058 B9R0.2 NC(=O)COCCCCF 7a_100011995726_100000187820 [1,0,0,0,0,0|2,0,0]=3 1059 B9R0.2 NC(=O)COCCCCI 34a_200012148704_100000187820 [1,0,0,0,0,0|2,0,0]=3 1060 B9R0.2 NC(=O)COCCSCF 62a_100000076697_100015361967 [1,0,0,0,0,0|3,0,0]=4 1061 B9R0.2 NC(=O)COCCSCF 62a_100015361967_100000076697 [1,0,0,0,0,0|3,0,0]=4 1062 B9R0.2 NC(=O)CSCCCC=O 62a_100000747473_200011292268 [1,0,0,0,0,0|2,0,1]=4 1063 B9R0.2 NC(=O)CSCCCC=O 62a_200011292268_100000747473 [1,0,0,0,0,0|2,0,1]=4 1064 B9R0.2 NC(=O)CSCCCCF 62a_100000729493_100000747473 [1,0,0,0,0,0|2,0,0]=3 1065 B9R0.2 NC(=O)CSCCCCF 62a_100000747473_100000729493 [1,0,0,0,0,0|2,0,0]=3 1066 B9R0.2 NC(=O)CSCCCCO 62a_100000210776_100000747473 [1,0,0,0,0,0|2,0,0]=3 1067 B9R0.2 NC(=O)CSCCCCO 62a_100000747473_100000210776 [1,0,0,0,0,0|2,0,0]=3 1068 B9R0.2 NC(=O)NCCNCCF 34a_100020590234_100011217306 [1,0,0,0,0,0|3,0,0]=4 1069 B9R0.2 NC(=O)NCCNCCO 2230a_100016997473_200000034859 [1,0,0,0,0,0|3,0,0]=4 1070 B9R0.2 NC(=O)NCCNCCO 34a_100020590234_100000211926 [1,0,0,0,0,0|3,0,0]=4 1071 B9R0.2 NC(=O)NCCOCCF 34a_100000181757_100011217306 [1,0,0,0,0,0|3,0,0]=4 1072 B9R0.2 NC(=O)NCCOCCO 34a_100000181757_100000211926 [1,0,0,0,0,0|3,0,0]=4 1073 B9R0.2 NC(=O)NCCSCCF 62a_100011217306_200000034859 [1,0,0,0,0,0|3,0,0]=4 1074 B9R0.2 NC(=O)NCCSCCF 62a_200000034859_100011217306 [1,0,0,0,0,0|3,0,0]=4 1075 B9R0.2 NC(=O)NCCSCCO 62a_100000211926_200000034859 [1,0,0,0,0,0|3,0,0]=4 1076 B9R0.2 NC(=O)NCCSCCO 62a_200000034859_100000211926 [1,0,0,0,0,0|3,0,0]=4 1077 B9R0.2 NC(=O)OCCNCCF 34a_100000724931_200011214921 [1,0,0,0,0,0|3,0,0]=4 1078 B9R0.2 NC(=O)OCCNCCO 34a_100016990907_200011214921 [1,0,0,0,0,0|3,0,0]=4 1079 B9R0.2 NC(=O)OCCOCCBr 34a_100000211926_200011214921 [1,0,0,0,0,0|3,0,0]=4 1080 B9R0.2 NC(=O)OCCOCCF 7a_100000766696_100011217306 [1,0,0,0,0,0|3,0,0]=4 1081 B9R0.2 NC(=O)OCCOCCO 7a_100000766696_100000211926 [1,0,0,0,0,0|3,0,0]=4 1082 B9R0.2 NC(=O)OCCSCCF 62a_100011217306_200011214921 [1,0,0,0,0,0|3,0,0]=4 1083 B9R0.2 NC(=O)OCCSCCF 62a_200011214921_100011217306 [1,0,0,0,0,0|3,0,0]=4 1084 B9R0.2 NC(=O)OCCSCCO 62a_100000211926_200011214921 [1,0,0,0,0,0|3,0,0]=4 1085 B9R0.2 NC(=O)OCCSCCO 62a_200011214921_100000211926 [1,0,0,0,0,0|3,0,0]=4 1086 B9R0.2 NCCCCOCC(=O)N 34a_100000750430_100000187820 [1,0,0,0,0,0|2,0,0]=3 1087 B9R0.2 NCCCCOCC(=O)[O-] 34a_100000750430_100020667443 [1,0,0,0,0,0|2,0,1]=4 1088 B9R0.2 NCCCOCCC(=O)N 34a_100000182051_100000731001 [1,0,0,0,0,0|2,0,0]=3 1089 B9R0.2 NCCOCCCC(=O)N 34a_100000210304_100102525003 [1,0,0,0,0,0|2,0,0]=3 1090 B9R0.2 NCCOCCOC(=O)N 34a_100000210304_200011214921 [1,0,0,0,0,0|3,0,0]=4 1091 B9R0.2 NOCCOCCC(=O)N 34a_100000700252_100000731001 [1,0,0,0,0,0|3,0,0]=4 1092 B9R0.2 O=C(O)CNCCCCF 269956a_100016091260_100000729493 [1,0,0,0,0,0|2,0,0]=3 1093 B9R0.2 O=C(O)CNCCCCO 269956a_100016091260_100000210776 [1,0,0,0,0,0|2,0,0]=3 1094 B9R0.2 O=C(O)COCCNCF 269956a_100000700818_100015361967 [1,0,0,0,0,0|3,0,0]=4 1095 B9R0.2 O=C(O)CONCCCF 269956a_100000106656_100011934791 [1,0,0,0,0,0|3,0,0]=4 1096 B9R0.2 O=C(O)CONCCCO 269956a_100000106656_100011215043 [1,0,0,0,0,0|3,0,0]=4 1097 B9R0.2 O=C([O-])CNCCCCO 34a_100000750430_100020667443 [1,0,0,0,0,0|2,0,1]=4 1098 B9R0.2 O=C([O-])COCCCCBr 34a_100011216708_100020667443 [1,0,0,0,0,0|2,0,1]=4 1099 B9R0.2 O=C([O-])COCCCCCl 34a_100000210776_100020667443 [1,0,0,0,0,0|2,0,1]=4 1100 B9R0.2 O=C([O-])COCCCCF 34a_100011995726_100020667443 [1,0,0,0,0,0|2,0,1]=4 1101 B9R0.2 O=C([O-])COCCCCI 34a_200012148704_100020667443 [1,0,0,0,0,0|2,0,1]=4 1102 B9R0.2 O=C([O-])CSCCCCF 62a_100000729493_100020667443 [1,0,0,0,0,0|2,0,1]=4 1103 B9R0.2 O=C([O-])CSCCCCF 62a_100020667443_100000729493 [1,0,0,0,0,0|2,0,1]=4 1104 B9R0.2 O=C([O-])CSCCCCO 62a_100000210776_100020667443 [1,0,0,0,0,0|2,0,1]=4 1105 B9R0.2 O=C([O-])CSCCCCO 62a_100020667443_100000210776 [1,0,0,0,0,0|2,0,1]=4 1106 B9R0.2 O=CCCCNCC(=O)O 269956a_100016091260_200011292268 [1,0,0,0,0,0|2,0,1]=4 1107 B9R0.2 [13CH3]C(=O)CCCCCCO 1458a_100011996774_200025704644 [1,0,0,0,0,0|2,0,0]=3 1108 B9R0.2 [13CH3]OCCCCCC(=O)N 34a_100000123541_200025704644 [1,0,0,0,0,0|1,0,0]=2 1109 B9R0.2 [13CH3]OCCCCCC(=O)N 7a_100000123541_200025704644 [1,0,0,0,0,0|1,0,0]=2 1110 B9R0.2 [13CH3]OCCCCCC(=O)[O-] 7a_100102619762_200025704644 [1,0,0,0,0,0|1,0,1]=3 1111 B9R0.2 [13CH3]SCCCCCB(O)O 62a_200009817188_200025704644 [1,0,0,0,0,0|2,0,1]=4 1112 B9R0.2 [13CH3]SCCCCCB(O)O 62a_200025704644_200009817188 [1,0,0,0,0,0|2,0,1]=4 1113 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_100009817443_200025704644 [1,0,0,0,0,0|1,0,0]=2 1114 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_200025704644_100009817443 [1,0,0,0,0,0|1,0,0]=2 1115 B9R0.45 C/C=C/CCOCCCC 34a_100016278192_100000210210 [1,0,0,0,0,0|3,0,0]=4 1116 B9R0.45 C/C=C/COCCCCC 34a_100000210253_100102629194 [1,0,0,0,0,0|3,0,0]=4 1117 B9R0.45 C/C=C/COCCCCC 34a_100016270725_100000718602 [1,0,0,0,0,0|3,0,0]=4 1118 B9R0.45 C/C=C/COCCCCC 7a_100000210253_100102629194 [1,0,0,0,0,0|3,0,0]=4 1119 B9R0.45 C/C=C/CSCCCCC 62a_100000210326_100102629194 [1,0,0,0,0,0|3,0,0]=4 1120 B9R0.45 C/C=C/CSCCCCC 62a_100102629194_100000210326 [1,0,0,0,0,0|3,0,0]=4 1121 B9R0.45 CC=CCCCOCCC 34a_100020645299_100000210303 [1,0,0,0,0,0|3,0,0]=4 1122 B9R0.45 CC=CCNCCCCC 2230a_100000209983_100000070051 [1,0,0,0,0,0|3,0,0]=4 1123 B9R0.45 CC=CCOCCCCC 34a_100000210253_100000070051 [1,0,0,0,0,0|3,0,0]=4 1124 B9R0.45 CC=CCOCCCCC 7a_100000210253_100000070051 [1,0,0,0,0,0|3,0,0]=4 1125 B9R0.45 CC=CCSCCCCC 62a_100000070051_100000210326 [1,0,0,0,0,0|3,0,0]=4 1126 B9R0.45 CC=CCSCCCCC 62a_100000210326_100000070051 [1,0,0,0,0,0|3,0,0]=4 1127 B9R0.45 CCCCCCCCNC 2230a_100000229939_200000210301 [1,0,0,0,0,0|1,0,1]=3 1128 B9R0.45 CCCCCCCCNC 2230a_106832991635_100000210759 [1,0,0,0,0,0|1,0,1]=3 1129 B9R0.45 CCCCCCCCNC 34a_100000229939_200000210301 [1,0,0,0,0,0|1,0,1]=3 1130 B9R0.45 CCCCCCCCNC 34a_100102657272_100000210759 [1,0,0,0,0,0|1,0,1]=3 1131 B9R0.45 CCCCCCCCNC 7a_106832991635_100000210759 [1,0,0,0,0,0|1,0,1]=3 1132 B9R0.45 CCCCCCCCN[13CH3] 2230a_100000229939_200025704644 [1,0,0,0,0,0|1,0,1]=3 1133 B9R0.45 CCCCCCCCN[13CH3] 34a_100000229939_200025704644 [1,0,0,0,0,0|1,0,1]=3 1134 B9R0.45 CCCCCCCCOC 34a_100000210232_200000210301 [1,0,0,0,0,0|2,0,1]=4 1135 B9R0.45 CCCCCCCCOC 34a_100138415774_100000210759 [1,0,0,0,0,0|2,0,1]=4 1136 B9R0.45 CCCCCCCCOC 7a_100000210232_200000210301 [1,0,0,0,0,0|2,0,1]=4 1137 B9R0.45 CCCCCCCCO[13CH3] 34a_100000210232_200025704644 [1,0,0,0,0,0|2,0,1]=4 1138 B9R0.45 CCCCCCCCO[13CH3] 7a_100000210232_200025704644 [1,0,0,0,0,0|2,0,1]=4 1139 B9R0.45 CCCCCCCCSC 62a_100000210759_200000210301 [1,0,0,0,0,0|2,0,1]=4 1140 B9R0.45 CCCCCCCCSC 62a_200000210301_100000210317 [1,0,0,0,0,0|2,0,1]=4 1141 B9R0.45 CCCCCCCCS[13CH3] 62a_100000210759_200025704644 [1,0,0,0,0,0|2,0,1]=4 1142 B9R0.45 CCCCCCCCS[13CH3] 62a_200025704644_100000210317 [1,0,0,0,0,0|2,0,1]=4 1143 B9R0.45 CCCCCCCNCC 2230a_100000229938_100000210202 [1,0,0,0,0,0|3,0,0]=4 1144 B9R0.45 CCCCCCCNCC 2230a_100015525214_100000210681 [1,0,0,0,0,0|3,0,0]=4 1145 B9R0.45 CCCCCCCOCC 34a_100000210272_100000210202 [1,0,0,0,0,0|3,0,0]=4 1146 B9R0.45 CCCCCCCOCC 34a_100121572206_100000210614 [1,0,0,0,0,0|3,0,0]=4 1147 B9R0.45 CCCCCCCOCC 7a_100000210272_100000210202 [1,0,0,0,0,0|3,0,0]=4 1148 B9R0.45 CCCCCCCOCF 34a_100000210272_100015361967 [1,0,0,0,0,0|3,0,0]=4 1149 B9R0.45 CCCCCCCOCF 7a_100000210272_100015361967 [1,0,0,0,0,0|3,0,0]=4 1150 B9R0.45 CCCCCCCSCC 62a_100000210202_100000210316 [1,0,0,0,0,0|3,0,0]=4 1151 B9R0.45 CCCCCCCSCC 62a_100000210614_100000210202 [1,0,0,0,0,0|3,0,0]=4 1152 B9R0.45 CCCCCCCSCF 62a_100000210614_100015361967 [1,0,0,0,0,0|3,0,0]=4 1153 B9R0.45 CCCCCCCSCF 62a_100015361967_100000210316 [1,0,0,0,0,0|3,0,0]=4 1154 B9R0.45 CCCCCCNCCO 2230a_100000210581_100000211926 [1,0,0,0,0,0|2,0,1]=4 1155 B9R0.45 CCCCCCNCCO 2230a_100016997473_100000210314 [1,0,0,0,0,0|2,0,1]=4 1156 B9R0.45 CCCCCCNCCO 34a_100016990907_100000210314 [1,0,0,0,0,0|2,0,1]=4 1157 B9R0.45 CCCCCCOCCO 34a_100000210259_100000211926 [1,0,0,0,0,0|2,0,1]=4 1158 B9R0.45 CCCCCCOCCO 7a_100000210259_100000211926 [1,0,0,0,0,0|2,0,1]=4 1159 B9R0.45 CCCCCCSCCO 62a_100000210314_100000211926 [1,0,0,0,0,0|2,0,1]=4 1160 B9R0.45 CCCCCCSCCO 62a_100000211926_100000210757 [1,0,0,0,0,0|2,0,1]=4 1161 B9R0.45 CCCCCNCCCO 2230a_100000209983_100000230001 [1,0,0,0,0,0|2,0,1]=4 1162 B9R0.45 CCCCCOCCCO 34a_100000210253_100000230001 [1,0,0,0,0,0|2,0,1]=4 1163 B9R0.45 CCCCCOCCCO 7a_100000210253_100011215043 [1,0,0,0,0,0|2,0,1]=4 1164 B9R0.45 CCCCCSCCCO 62a_100000210326_100011215043 [1,0,0,0,0,0|2,0,1]=4 1165 B9R0.45 CCCCCSCCCO 62a_100011215043_100000210326 [1,0,0,0,0,0|2,0,1]=4 1166 B9R0.45 CCCCNCCCCO 2230a_100000102301_100000210776 [1,0,0,0,0,0|2,0,1]=4 1167 B9R0.45 CCCCNCCCCO 2230a_100000750430_100000210211 [1,0,0,0,0,0|2,0,1]=4 1168 B9R0.45 CCCCNCCCCO 34a_100000750430_100000210210 [1,0,0,0,0,0|2,0,1]=4 1169 B9R0.45 CCCCNCCCCO 7a_106832991798_100000210776 [1,0,0,0,0,0|2,0,1]=4 1170 B9R0.45 CCCCOCCCCO 34a_100000210227_100011216708 [1,0,0,0,0,0|2,0,1]=4 1171 B9R0.45 CCCCOCCCCO 7a_100000210227_100000210776 [1,0,0,0,0,0|2,0,1]=4 1172 B9R0.45 CCCCOCCCNC 2230a_200000211371_200000210301 [1,0,0,0,0,0|2,0,1]=4 1173 B9R0.45 CCCCOCCCNC 34a_100000213112_100000210210 [1,0,0,0,0,0|2,0,1]=4 1174 B9R0.45 CCCCOCCCNC 34a_200000211371_200000210301 [1,0,0,0,0,0|2,0,1]=4 1175 B9R0.45 CCCCOCCCN[13CH3] 2230a_200000211371_200025704644 [1,0,0,0,0,0|2,0,1]=4 1176 B9R0.45 CCCCOCCCN[13CH3] 34a_200000211371_200025704644 [1,0,0,0,0,0|2,0,1]=4 1177 B9R0.45 CCCCSCCCCO 62a_100000210211_100000210776 [1,0,0,0,0,0|2,0,1]=4 1178 B9R0.45 CCCCSCCCCO 62a_100000210776_100000210210 [1,0,0,0,0,0|2,0,1]=4 1179 B9R0.45 CCCNCCCCCO 2230a_100000762737_100000210303 [1,0,0,0,0,0|2,0,1]=4 1180 B9R0.45 CCCNCCCCCO 34a_100000762737_100000210303 [1,0,0,0,0,0|2,0,1]=4 1181 B9R0.45 CCCOCCCCCO 34a_100000210258_100000746330 [1,0,0,0,0,0|2,0,1]=4 1182 B9R0.45 CCCSCCCCCO 62a_100000210303_100000746330 [1,0,0,0,0,0|2,0,1]=4 1183 B9R0.45 CCCSCCCCCO 62a_100000746330_100000210303 [1,0,0,0,0,0|2,0,1]=4 1184 B9R0.45 CCNCCCCCCO 2230a_100000686447_100000210202 [1,0,0,0,0,0|2,0,1]=4 1185 B9R0.45 CCNCCCCCCO 2230a_100015525214_100000766143 [1,0,0,0,0,0|2,0,1]=4 1186 B9R0.45 CCNCCCCCCO 34a_100000686447_100000210202 [1,0,0,0,0,0|2,0,1]=4 1187 B9R0.45 CCOCCCCCCO 34a_100121572206_100000766143 [1,0,0,0,0,0|2,0,1]=4 1188 B9R0.45 CCOCCCCCNC 34a_100000722520_100000210202 [1,0,0,0,0,0|2,0,1]=4 1189 B9R0.45 CCSCCCCCCO 62a_100000210202_100000766143 [1,0,0,0,0,0|2,0,1]=4 1190 B9R0.45 CCSCCCCCCO 62a_100000766143_100000210202 [1,0,0,0,0,0|2,0,1]=4 1191 B9R0.45 CNCCCCCCCO 2230a_100011996573_200000210301 [1,0,0,0,0,0|2,0,1]=4 1192 B9R0.45 CNCCCCCCCO 2230a_106832991635_100000760002 [1,0,0,0,0,0|2,0,1]=4 1193 B9R0.45 CNCCCCCCCO 34a_100011996573_200000210301 [1,0,0,0,0,0|2,0,1]=4 1194 B9R0.45 CNCCCCCCCO 34a_100102657272_100000760002 [1,0,0,0,0,0|2,0,1]=4 1195 B9R0.45 CNCCCCCCCO 7a_106832991635_100000760002 [1,0,0,0,0,0|2,0,1]=4 1196 B9R0.45 CNCCCCCCOC 2230a_106832991635_100011998445 [1,0,0,0,0,0|2,0,1]=4 1197 B9R0.45 CNCCCCCCOC 34a_100102657272_100011998445 [1,0,0,0,0,0|2,0,1]=4 1198 B9R0.45 CNCCCCCCOC 7a_106832991635_100011998445 [1,0,0,0,0,0|2,0,1]=4 1199 B9R0.45 COCCCCCCCO 34a_100138415774_100000760002 [1,0,0,0,0,0|2,0,1]=4 1200 B9R0.45 CSCCCCCCCO 62a_100000760002_200000210301 [1,0,0,0,0,0|2,0,1]=4 1201 B9R0.45 CSCCCCCCCO 62a_200000210301_100000760002 [1,0,0,0,0,0|2,0,1]=4 1202 B9R0.45 [13CH3]NCCCCCCCO 2230a_100011996573_200025704644 [1,0,0,0,0,0|2,0,1]=4 1203 B9R0.45 [13CH3]NCCCCCCCO 34a_100011996573_200025704644 [1,0,0,0,0,0|2,0,1]=4 1204 B9R0.45 [13CH3]SCCCCCCCO 62a_100000760002_200025704644 [1,0,0,0,0,0|2,0,1]=4 1205 B9R0.45 [13CH3]SCCCCCCCO 62a_200025704644_100000760002 [1,0,0,0,0,0|2,0,1]=4 1206 B9R0.46 C#CC(=O)CCCCCC 1458a_100000211873_100000210757 [1,0,0,0,0,0|2,0,0]=3 1207 B9R0.46 C#CC(=O)CCCCCF 1458a_100000211873_100000729378 [1,0,0,0,0,0|3,0,0]=4 1208 B9R0.46 C#CC(=O)CCCCCO 1458a_100000211873_100000746330 [1,0,0,0,0,0|3,0,0]=4 1209 B9R0.46 C#CC(=O)CCCCOC 1458a_100000211873_100000755781 [1,0,0,0,0,0|3,0,0]=4 1210 B9R0.46 C#CC(=O)CCCOCC 1458a_100000211873_100012232248 [1,0,0,0,0,0|3,0,0]=4 1211 B9R0.46 C#CC(=O)CCOCCC 1458a_100000211873_100011215938 [1,0,0,0,0,0|3,0,0]=4 1212 B9R0.46 C#CC(=O)COCCCC 1458a_100000211873_100011995733 [1,0,0,0,0,0|3,0,0]=4 1213 B9R0.46 C#CCCCCC(=O)CO 1458a_100000210174_100010269958 [1,0,0,0,0,0|1,0,2]=4 1214 B9R0.46 C#CCCCCC(=O)NC 11a_106832991635_100000696528 [1,0,0,0,0,0|1,0,2]=4 1215 B9R0.46 C#CCCCCC(=O)NC 1626a_100102657272_100000696528 [1,0,0,0,0,0|1,0,2]=4 1216 B9R0.46 C#CCCCCC(=O)NC 240690a_100102657272_100000696528 [1,0,0,0,0,0|1,0,2]=4 1217 B9R0.46 C#CCCCCC(=O)NC 527a_100102657272_100000696528 [1,0,0,0,0,0|1,0,2]=4 1218 B9R0.46 C=CC(=O)CCCCCC 1458a_100000185746_100000210757 [1,0,0,0,0,0|2,0,0]=3 1219 B9R0.46 C=CC(=O)CCCCCF 1458a_100000185746_100000729378 [1,0,0,0,0,0|3,0,0]=4 1220 B9R0.46 C=CC(=O)CCCCCO 1458a_100000185746_100000746330 [1,0,0,0,0,0|3,0,0]=4 1221 B9R0.46 C=CC(=O)CCCCOC 1458a_100000185746_100000755781 [1,0,0,0,0,0|3,0,0]=4 1222 B9R0.46 C=CC(=O)CCCOCC 1458a_100000185746_100012232248 [1,0,0,0,0,0|3,0,0]=4 1223 B9R0.46 C=CC(=O)CCOCCC 1458a_100000185746_100011215938 [1,0,0,0,0,0|3,0,0]=4 1224 B9R0.46 C=CC(=O)COCCCC 1458a_100000185746_100011995733 [1,0,0,0,0,0|3,0,0]=4 1225 B9R0.46 C=CC(=O)NCCCCC 1626a_100000209983_100000185746 [1,0,0,0,0,0|3,0,0]=4 1226 B9R0.46 C=CC(=O)NCCCCC 240690a_100000209983_200121576911 [1,0,0,0,0,0|3,0,0]=4 1227 B9R0.46 C=CCCCCC(=O)CO 1458a_100000210174_100011215482 [1,0,0,0,0,0|1,0,2]=4 1228 B9R0.46 C=CCCCCC(=O)NC 11a_106832991635_100011215552 [1,0,0,0,0,0|1,0,2]=4 1229 B9R0.46 C=CCCCCC(=O)NC 1626a_100102657272_100011215552 [1,0,0,0,0,0|1,0,2]=4 1230 B9R0.46 C=CCCCCC(=O)NC 240690a_100102657272_100011215552 [1,0,0,0,0,0|1,0,2]=4 1231 B9R0.46 C=CCCCCC(=O)NC 527a_100102657272_100011215552 [1,0,0,0,0,0|1,0,2]=4 1232 B9R0.46 CC/C=C\CCC(=O)CO 1458a_100000210174_100015370543 [1,0,0,0,0,0|1,0,2]=4 1233 B9R0.46 CCC(=O)CCCCCF 1458a_100000210414_100000729378 [1,0,0,0,0,0|3,0,0]=4 1234 B9R0.46 CCC(=O)CCCCCO 1458a_100000210414_100000746330 [1,0,0,0,0,0|3,0,0]=4 1235 B9R0.46 CCC(=O)CCCCCO 1458a_100102619762_100000210202 [1,0,0,0,0,0|3,0,0]=4 1236 B9R0.46 CCC(=O)CCCCOC 1458a_100000210414_100000755781 [1,0,0,0,0,0|3,0,0]=4 1237 B9R0.46 CCC/C=C/CC(=O)NC 11a_106832991635_200016266809 [1,0,0,0,0,0|1,0,2]=4 1238 B9R0.46 CCC/C=C/CC(=O)NC 1626a_100102657272_200016266809 [1,0,0,0,0,0|1,0,2]=4 1239 B9R0.46 CCC/C=C/CC(=O)NC 240690a_100102657272_200016266809 [1,0,0,0,0,0|1,0,2]=4 1240 B9R0.46 CCC/C=C/CC(=O)NC 527a_100102657272_200016266809 [1,0,0,0,0,0|1,0,2]=4 1241 B9R0.46 CCCCC=CC(=O)NC 11a_106832991635_100016266645 [1,0,0,0,0,0|1,0,2]=4 1242 B9R0.46 CCCCC=CC(=O)NC 1626a_100102657272_100016266645 [1,0,0,0,0,0|1,0,2]=4 1243 B9R0.46 CCCCC=CC(=O)NC 240690a_100102657272_100016266645 [1,0,0,0,0,0|1,0,2]=4 1244 B9R0.46 CCCCCCC(=O)CC 1458a_100000210414_100000210757 [1,0,0,0,0,0|2,0,0]=3 1245 B9R0.46 CCCCCCC(=O)CC 1458a_100102632555_100000210202 [1,0,0,0,0,0|2,0,0]=3 1246 B9R0.46 CCCCCCC(=O)CF 1458a_100102632555_100015361967 [1,0,0,0,0,0|2,0,0]=3 1247 B9R0.46 CCCCCCC(=O)CO 1458a_100000210174_100000210757 [1,0,0,0,0,0|1,0,0]=2 1248 B9R0.46 CCCCCCC(=O)NC 11a_106832991635_100102632555 [1,0,0,0,0,0|1,0,0]=2 1249 B9R0.46 CCCCCCC(=O)NC 1626a_100102657272_100102632555 [1,0,0,0,0,0|1,0,0]=2 1250 B9R0.46 CCCCCCC(=O)NC 240690a_100102657272_100102632555 [1,0,0,0,0,0|1,0,0]=2 1251 B9R0.46 CCCCCCC(=O)NC 527a_100102657272_100102632555 [1,0,0,0,0,0|1,0,0]=2 1252 B9R0.46 CCCCCCC(C)NC 2230a_100000210919_200000210301 [1,0,0,0,0,0|2,0,1]=4 1253 B9R0.46 CCCCCCC(C)NC 2230a_106832991635_100011215978 [1,0,0,0,0,0|2,0,1]=4 1254 B9R0.46 CCCCCCC(C)NC 270004a_106832991635_100000210826 [1,0,0,0,0,0|2,0,1]=4 1255 B9R0.46 CCCCCCC(C)NC 34a_100000210919_200000210301 [1,0,0,0,0,0|2,0,1]=4 1256 B9R0.46 CCCCCCC(C)NC 34a_100102657272_100011215978 [1,0,0,0,0,0|2,0,1]=4 1257 B9R0.46 CCCCCCC(C)NC 7a_106832991635_100011215978 [1,0,0,0,0,0|2,0,1]=4 1258 B9R0.46 CCCCCCC(C)N[13CH3] 2230a_100000210919_200025704644 [1,0,0,0,0,0|2,0,1]=4 1259 B9R0.46 CCCCCCC(C)N[13CH3] 34a_100000210919_200025704644 [1,0,0,0,0,0|2,0,1]=4 1260 B9R0.46 CCCCCNC(=O)CC 11a_100000209983_100000210414 [1,0,0,0,0,0|3,0,0]=4 1261 B9R0.46 CCCCCNC(=O)CC 1626a_100000209983_100000210414 [1,0,0,0,0,0|3,0,0]=4 1262 B9R0.46 CCCCCNC(=O)CC 240690a_100000209983_100000210414 [1,0,0,0,0,0|3,0,0]=4 1263 B9R0.46 CCCCCNC(=O)CC 527a_100000209983_100000210414 [1,0,0,0,0,0|3,0,0]=4 1264 B9R0.46 CCCCCNC(=O)CO 240690a_100000209983_100000210174 [1,0,0,0,0,0|2,0,0]=3 1265 B9R0.46 CCCCCNC(=O)CO 527a_100000209983_100000210174 [1,0,0,0,0,0|2,0,0]=3 1266 B9R0.46 CCCCCNC(=O)NC 2708a_100000209983_106832991635 [1,0,0,0,0,0|2,0,0]=3 1267 B9R0.46 CCCCCNC(=O)NC 2708a_100102657272_100000209983 [1,0,0,0,0,0|2,0,0]=3 1268 B9R0.46 CCCCCNC(=O)NC 273464a_100000209983_100102657272 [1,0,0,0,0,0|2,0,0]=3 1269 B9R0.46 CCCCCNC(=O)NC 273464a_100102657272_100000209983 [1,0,0,0,0,0|2,0,0]=3 1270 B9R0.46 CCCCCNC(=O)NC 512a_100000209983_100102657272 [1,0,0,0,0,0|2,0,0]=3 1271 B9R0.46 CCCCCNC(=O)NC 512a_106832991638_100000209983 [1,0,0,0,0,0|2,0,0]=3 1272 B9R0.46 CCCCNCC(=O)CC 7a_106832991798_100000747405 [1,0,0,0,0,0|3,0,0]=4 1273 B9R0.46 CCCCNCC(=O)NC 2230a_100000102301_100000183359 [1,0,0,0,0,0|2,0,0]=3 1274 B9R0.46 CCCCNCC(=O)NC 2230a_100000693194_100000210211 [1,0,0,0,0,0|2,0,0]=3 1275 B9R0.46 CCCCNCC(=O)NC 7a_106832991798_100000183359 [1,0,0,0,0,0|2,0,0]=3 1276 B9R0.46 CCCCNCC(=O)OC 2230a_100000102301_100000747449 [1,0,0,0,0,0|3,0,0]=4 1277 B9R0.46 CCCCNCC(=O)OC 7a_106832991798_100000747449 [1,0,0,0,0,0|3,0,0]=4 1278 B9R0.46 CCCCNNC(=O)CO 22a_100025702795_100000210174 [1,0,0,0,0,0|3,0,0]=4 1279 B9R0.46 CCCCNNC(=O)NC 273464a_100102657272_100025702795 [1,0,0,0,0,0|3,0,0]=4 1280 B9R0.46 CCCCNNC(=O)NC 512a_100025702795_100102657272 [1,0,0,0,0,0|3,0,0]=4 1281 B9R0.46 CCCCNNC(=O)NC 512a_106832991638_100025702795 [1,0,0,0,0,0|3,0,0]=4 1282 B9R0.46 CCCCOCC(=O)CC 1458a_100000210414_100011995733 [1,0,0,0,0,0|3,0,0]=4 1283 B9R0.46 CCCCOCC(=O)CC 1458a_100000757543_100000210202 [1,0,0,0,0,0|3,0,0]=4 1284 B9R0.46 CCCCOCC(=O)CC 34a_100000725409_100000210210 [1,0,0,0,0,0|3,0,0]=4 1285 B9R0.46 CCCCOCC(=O)CC 7a_100000210227_100000747405 [1,0,0,0,0,0|3,0,0]=4 1286 B9R0.46 CCCCOCC(=O)CF 1458a_100000757543_100015361967 [1,0,0,0,0,0|3,0,0]=4 1287 B9R0.46 CCCCOCC(=O)CO 1458a_100000210174_100011995733 [1,0,0,0,0,0|2,0,0]=3 1288 B9R0.46 CCCCOCC(=O)NC 11a_106832991635_100000757543 [1,0,0,0,0,0|2,0,0]=3 1289 B9R0.46 CCCCOCC(=O)NC 1626a_100102657272_100000757543 [1,0,0,0,0,0|2,0,0]=3 1290 B9R0.46 CCCCOCC(=O)NC 240690a_100102657272_100000757543 [1,0,0,0,0,0|2,0,0]=3 1291 B9R0.46 CCCCOCC(=O)NC 34a_100000210227_100000183359 [1,0,0,0,0,0|2,0,0]=3 1292 B9R0.46 CCCCOCC(=O)NC 34a_100000750040_100000210210 [1,0,0,0,0,0|2,0,0]=3 1293 B9R0.46 CCCCOCC(=O)NC 527a_100102657272_100000757543 [1,0,0,0,0,0|2,0,0]=3 1294 B9R0.46 CCCCOCC(=O)NC 7a_100000210227_100000183359 [1,0,0,0,0,0|2,0,0]=3 1295 B9R0.46 CCCCOCC(=O)OC 34a_100000210227_100000747449 [1,0,0,0,0,0|3,0,0]=4 1296 B9R0.46 CCCCOCC(=O)OC 7a_100000210227_100000747449 [1,0,0,0,0,0|3,0,0]=4 1297 B9R0.46 CCCCSCC(=O)CC 1458a_100000191162_100000210202 [1,0,0,0,0,0|3,0,0]=4 1298 B9R0.46 CCCCSCC(=O)CC 62a_100000210211_100000747405 [1,0,0,0,0,0|3,0,0]=4 1299 B9R0.46 CCCCSCC(=O)CC 62a_100000747405_100000210210 [1,0,0,0,0,0|3,0,0]=4 1300 B9R0.46 CCCCSCC(=O)CF 1458a_100000191162_100015361967 [1,0,0,0,0,0|3,0,0]=4 1301 B9R0.46 CCCCSCC(=O)NC 11a_106832991635_100000191162 [1,0,0,0,0,0|2,0,0]=3 1302 B9R0.46 CCCCSCC(=O)NC 1626a_100102657272_100000191162 [1,0,0,0,0,0|2,0,0]=3 1303 B9R0.46 CCCCSCC(=O)NC 240690a_100102657272_100000191162 [1,0,0,0,0,0|2,0,0]=3 1304 B9R0.46 CCCCSCC(=O)NC 527a_100102657272_100000191162 [1,0,0,0,0,0|2,0,0]=3 1305 B9R0.46 CCCCSCC(=O)NC 62a_100000183359_100000210210 [1,0,0,0,0,0|2,0,0]=3 1306 B9R0.46 CCCCSCC(=O)NC 62a_100000210211_100000183359 [1,0,0,0,0,0|2,0,0]=3 1307 B9R0.46 CCCCSCC(=O)OC 62a_100000210211_100000747449 [1,0,0,0,0,0|3,0,0]=4 1308 B9R0.46 CCCCSCC(=O)OC 62a_100000747449_100000210210 [1,0,0,0,0,0|3,0,0]=4 1309 B9R0.46 CCCNCCC(=O)NC 2230a_100000738227_100000210303 [1,0,0,0,0,0|2,0,0]=3 1310 B9R0.46 CCCNCCC(=O)NC 34a_100000738227_100000210303 [1,0,0,0,0,0|2,0,0]=3 1311 B9R0.46 CCCOCCC(=NO)N 34a_100000749954_100000210303 [1,0,0,0,0,0|2,0,1]=4 1312 B9R0.46 CCCOCCC(=O)CC 1458a_100000210414_100011215938 [1,0,0,0,0,0|3,0,0]=4 1313 B9R0.46 CCCOCCC(=O)CO 1458a_100000210174_100011215938 [1,0,0,0,0,0|2,0,0]=3 1314 B9R0.46 CCCOCCC(=O)NC 34a_100000210258_100012179268 [1,0,0,0,0,0|2,0,0]=3 1315 B9R0.46 CCCOCCC(=O)NC 34a_100000754576_100000210303 [1,0,0,0,0,0|2,0,0]=3 1316 B9R0.46 CCCOCCC(=O)OC 34a_100000210258_100000742370 [1,0,0,0,0,0|3,0,0]=4 1317 B9R0.46 CCCSCCC(=O)NC 62a_100000210303_100000737683 [1,0,0,0,0,0|2,0,0]=3 1318 B9R0.46 CCCSCCC(=O)NC 62a_100000737683_100000210303 [1,0,0,0,0,0|2,0,0]=3 1319 B9R0.46 CCCSCCC(=O)OC 62a_100000204255_100000210303 [1,0,0,0,0,0|3,0,0]=4 1320 B9R0.46 CCCSCCC(=O)OC 62a_100000210303_100000204255 [1,0,0,0,0,0|3,0,0]=4 1321 B9R0.46 CCNCCCC(=O)NC 2230a_100000740002_100000210202 [1,0,0,0,0,0|2,0,0]=3 1322 B9R0.46 CCNCCCC(=O)NC 2230a_100015525214_100000741757 [1,0,0,0,0,0|2,0,0]=3 1323 B9R0.46 CCNCCCC(=O)NC 34a_100000740002_100000210202 [1,0,0,0,0,0|2,0,0]=3 1324 B9R0.46 CCNCCCC(=O)OC 2230a_100015525214_100011218270 [1,0,0,0,0,0|3,0,0]=4 1325 B9R0.46 CCNCCNC(=O)NC 34a_100015205895_100000210202 [1,0,0,0,0,0|3,0,0]=4 1326 B9R0.46 CCOCCCC(=O)CC 1458a_100000210414_100012232248 [1,0,0,0,0,0|3,0,0]=4 1327 B9R0.46 CCOCCCC(=O)CO 1458a_100000210174_100012232248 [1,0,0,0,0,0|2,0,0]=3 1328 B9R0.46 CCOCCCC(=O)NC 34a_100121572206_100000741757 [1,0,0,0,0,0|2,0,0]=3 1329 B9R0.46 CCOCCCC(=O)NN 34a_100000211488_100000210202 [1,0,0,0,0,0|2,0,0]=3 1330 B9R0.46 CCOCCCC(=O)OC 34a_100121572206_100000742333 [1,0,0,0,0,0|3,0,0]=4 1331 B9R0.46 CCOCCNC(=O)CO 240690a_100011200944_100000210174 [1,0,0,0,0,0|3,0,0]=4 1332 B9R0.46 CCOCCNC(=O)CO 527a_100011200944_100000210174 [1,0,0,0,0,0|3,0,0]=4 1333 B9R0.46 CCOCCNC(=O)NC 2708a_100011200944_106832991635 [1,0,0,0,0,0|3,0,0]=4 1334 B9R0.46 CCOCCNC(=O)NC 2708a_100102657272_100011200944 [1,0,0,0,0,0|3,0,0]=4 1335 B9R0.46 CCOCCNC(=O)NC 273464a_100102657272_102516460346 [1,0,0,0,0,0|3,0,0]=4 1336 B9R0.46 CCOCCNC(=O)NC 273464a_102516460346_100102657272 [1,0,0,0,0,0|3,0,0]=4 1337 B9R0.46 CCOCCNC(=O)NC 512a_100011200944_100102657272 [1,0,0,0,0,0|3,0,0]=4 1338 B9R0.46 CCOCCNC(=O)NC 512a_106832991638_100011200944 [1,0,0,0,0,0|3,0,0]=4 1339 B9R0.46 CCOCCOC(=O)NC 34a_100121572206_200011997002 [1,0,0,0,0,0|3,0,0]=4 1340 B9R0.46 CCOCSCC(=O)NC 62a_100000183359_100000739092 [1,0,0,0,0,0|3,0,0]=4 1341 B9R0.46 CCOCSCC(=O)NC 62a_100000739092_100000183359 [1,0,0,0,0,0|3,0,0]=4 1342 B9R0.46 CCSCCCC(=O)NC 62a_100000210202_100000741757 [1,0,0,0,0,0|2,0,0]=3 1343 B9R0.46 CCSCCCC(=O)NC 62a_100000741757_100000210202 [1,0,0,0,0,0|2,0,0]=3 1344 B9R0.46 CCSCCCC(=O)OC 62a_100000210202_100011218270 [1,0,0,0,0,0|3,0,0]=4 1345 B9R0.46 CCSCCCC(=O)OC 62a_100011218270_100000210202 [1,0,0,0,0,0|3,0,0]=4 1346 B9R0.46 CCSCCNC(=O)CO 240690a_100000106463_100000210174 [1,0,0,0,0,0|3,0,0]=4 1347 B9R0.46 CCSCCNC(=O)CO 527a_100000106463_100000210174 [1,0,0,0,0,0|3,0,0]=4 1348 B9R0.46 CCSCCNC(=O)NC 2708a_100000106463_106832991635 [1,0,0,0,0,0|3,0,0]=4 1349 B9R0.46 CCSCCNC(=O)NC 2708a_100102657272_100000106463 [1,0,0,0,0,0|3,0,0]=4 1350 B9R0.46 CCSCCNC(=O)NC 273464a_100000106463_100102657272 [1,0,0,0,0,0|3,0,0]=4 1351 B9R0.46 CCSCCNC(=O)NC 273464a_100102657272_100000106463 [1,0,0,0,0,0|3,0,0]=4 1352 B9R0.46 CCSCCNC(=O)NC 512a_100000106463_100102657272 [1,0,0,0,0,0|3,0,0]=4 1353 B9R0.46 CCSCCNC(=O)NC 512a_106832991638_100000106463 [1,0,0,0,0,0|3,0,0]=4 1354 B9R0.46 CCSCCOC(=O)NC 62a_100000210202_200011997002 [1,0,0,0,0,0|3,0,0]=4 1355 B9R0.46 CCSCCOC(=O)NC 62a_200011997002_100000210202 [1,0,0,0,0,0|3,0,0]=4 1356 B9R0.46 CNC(=O)CCCCCO 240690a_100102657272_100102619762 [1,0,0,0,0,0|2,0,0]=3 1357 B9R0.46 CNC(=O)CCCNCF 34a_100000740002_100015361967 [1,0,0,0,0,0|3,0,0]=4 1358 B9R0.46 CNC(=O)CCCSCF 62a_100000741757_100015361967 [1,0,0,0,0,0|3,0,0]=4 1359 B9R0.46 CNC(=O)CCCSCF 62a_100015361967_100000741757 [1,0,0,0,0,0|3,0,0]=4 1360 B9R0.46 CNC(=O)CCNCCF 2230a_100000738227_100011217306 [1,0,0,0,0,0|3,0,0]=4 1361 B9R0.46 CNC(=O)CCNCCF 34a_100000724931_100012179268 [1,0,0,0,0,0|3,0,0]=4 1362 B9R0.46 CNC(=O)CCNCCF 34a_100000738227_100011217306 [1,0,0,0,0,0|3,0,0]=4 1363 B9R0.46 CNC(=O)CCNCCO 2230a_100000738227_100000211926 [1,0,0,0,0,0|3,0,0]=4 1364 B9R0.46 CNC(=O)CCNCCO 2230a_100016997473_100000737683 [1,0,0,0,0,0|3,0,0]=4 1365 B9R0.46 CNC(=O)CCNCCO 34a_100000738227_100000211926 [1,0,0,0,0,0|3,0,0]=4 1366 B9R0.46 CNC(=O)CCNCCO 34a_100016990907_100012179268 [1,0,0,0,0,0|3,0,0]=4 1367 B9R0.46 CNC(=O)CCNCOC 2230a_100000738227_100000766300 [1,0,0,0,0,0|3,0,0]=4 1368 B9R0.46 CNC(=O)CCNCSC 2230a_100000738227_100011218213 [1,0,0,0,0,0|3,0,0]=4 1369 B9R0.46 CNC(=O)CCNCSC 34a_100000738227_100011218213 [1,0,0,0,0,0|3,0,0]=4 1370 B9R0.46 CNC(=O)CCOCCBr 34a_100000211926_100012179268 [1,0,0,0,0,0|3,0,0]=4 1371 B9R0.46 CNC(=O)CCOCCF 34a_100000754576_100011217306 [1,0,0,0,0,0|3,0,0]=4 1372 B9R0.46 CNC(=O)CCOCCN 34a_100000210304_100012179268 [1,0,0,0,0,0|3,0,0]=4 1373 B9R0.46 CNC(=O)CCOCCO 1626a_100102657272_100011229844 [1,0,0,0,0,0|3,0,0]=4 1374 B9R0.46 CNC(=O)CCOCCO 240690a_100102657272_100011229844 [1,0,0,0,0,0|3,0,0]=4 1375 B9R0.46 CNC(=O)CCOCCO 34a_100000754576_100000211926 [1,0,0,0,0,0|3,0,0]=4 1376 B9R0.46 CNC(=O)CCOCSC 34a_100000754576_100011218213 [1,0,0,0,0,0|3,0,0]=4 1377 B9R0.46 CNC(=O)CCSCCF 62a_100000737683_100011217306 [1,0,0,0,0,0|3,0,0]=4 1378 B9R0.46 CNC(=O)CCSCCF 62a_100011217306_100000737683 [1,0,0,0,0,0|3,0,0]=4 1379 B9R0.46 CNC(=O)CCSCCO 62a_100000211926_100000737683 [1,0,0,0,0,0|3,0,0]=4 1380 B9R0.46 CNC(=O)CCSCCO 62a_100000737683_100000211926 [1,0,0,0,0,0|3,0,0]=4 1381 B9R0.46 CNC(=O)CCSCOC 62a_100000737683_100000766300 [1,0,0,0,0,0|3,0,0]=4 1382 B9R0.46 CNC(=O)CCSCOC 62a_100000766300_100000737683 [1,0,0,0,0,0|3,0,0]=4 1383 B9R0.46 CNC(=O)CCSCSC 62a_100000737683_100011218213 [1,0,0,0,0,0|3,0,0]=4 1384 B9R0.46 CNC(=O)CCSCSC 62a_100011218213_100000737683 [1,0,0,0,0,0|3,0,0]=4 1385 B9R0.46 CNC(=O)CNCCCF 2230a_100000693194_100011934791 [1,0,0,0,0,0|3,0,0]=4 1386 B9R0.46 CNC(=O)CNCCCF 2230a_100015189416_100000183359 [1,0,0,0,0,0|3,0,0]=4 1387 B9R0.46 CNC(=O)CNCCCF 34a_100015189416_100000183359 [1,0,0,0,0,0|3,0,0]=4 1388 B9R0.46 CNC(=O)CNCCCO 2230a_100000693194_100000230001 [1,0,0,0,0,0|3,0,0]=4 1389 B9R0.46 CNC(=O)CNCCOC 2230a_100000209980_100000183359 [1,0,0,0,0,0|3,0,0]=4 1390 B9R0.46 CNC(=O)CNCCOC 2230a_100000693194_100011201679 [1,0,0,0,0,0|3,0,0]=4 1391 B9R0.46 CNC(=O)CNCCSC 2230a_100000693194_100000751147 [1,0,0,0,0,0|3,0,0]=4 1392 B9R0.46 CNC(=O)CNCCSC 2230a_100020590264_100000183359 [1,0,0,0,0,0|3,0,0]=4 1393 B9R0.46 CNC(=O)COCCCBr 34a_100011217188_100000183359 [1,0,0,0,0,0|3,0,0]=4 1394 B9R0.46 CNC(=O)COCCCCl 34a_100000230001_100000183359 [1,0,0,0,0,0|3,0,0]=4 1395 B9R0.46 CNC(=O)COCCCF 34a_100000750040_100011934791 [1,0,0,0,0,0|3,0,0]=4 1396 B9R0.46 CNC(=O)COCCCF 34a_100000759539_100000183359 [1,0,0,0,0,0|3,0,0]=4 1397 B9R0.46 CNC(=O)COCCCN 34a_100000182051_100000183359 [1,0,0,0,0,0|3,0,0]=4 1398 B9R0.46 CNC(=O)COCCCO 34a_100000750040_100000230001 [1,0,0,0,0,0|3,0,0]=4 1399 B9R0.46 CNC(=O)COCCOC 11a_106832991635_100000211095 [1,0,0,0,0,0|3,0,0]=4 1400 B9R0.46 CNC(=O)COCCOC 1626a_100102657272_100000211095 [1,0,0,0,0,0|3,0,0]=4 1401 B9R0.46 CNC(=O)COCCOC 240690a_100102657272_100000211095 [1,0,0,0,0,0|3,0,0]=4 1402 B9R0.46 CNC(=O)COCCOC 34a_100000210237_100000183359 [1,0,0,0,0,0|3,0,0]=4 1403 B9R0.46 CNC(=O)COCCOC 34a_100000750040_100011201679 [1,0,0,0,0,0|3,0,0]=4 1404 B9R0.46 CNC(=O)COCCOC 527a_100102657272_100000211095 [1,0,0,0,0,0|3,0,0]=4 1405 B9R0.46 CNC(=O)COCCSC 34a_100000230434_100000183359 [1,0,0,0,0,0|3,0,0]=4 1406 B9R0.46 CNC(=O)COCCSC 34a_100000750040_100000212216 [1,0,0,0,0,0|3,0,0]=4 1407 B9R0.46 CNC(=O)COCCSC 7a_100000230434_100000183359 [1,0,0,0,0,0|3,0,0]=4 1408 B9R0.46 CNC(=O)CSCCCF 62a_100000183359_100011934791 [1,0,0,0,0,0|3,0,0]=4 1409 B9R0.46 CNC(=O)CSCCCF 62a_100011934791_100000183359 [1,0,0,0,0,0|3,0,0]=4 1410 B9R0.46 CNC(=O)CSCCCO 62a_100000183359_100011215043 [1,0,0,0,0,0|3,0,0]=4 1411 B9R0.46 CNC(=O)CSCCCO 62a_100011215043_100000183359 [1,0,0,0,0,0|3,0,0]=4 1412 B9R0.46 CNC(=O)CSCCOC 62a_100000183359_100000233755 [1,0,0,0,0,0|3,0,0]=4 1413 B9R0.46 CNC(=O)CSCCOC 62a_100000233755_100000183359 [1,0,0,0,0,0|3,0,0]=4 1414 B9R0.46 CNC(=O)CSCCSC 62a_100000183359_100000751147 [1,0,0,0,0,0|3,0,0]=4 1415 B9R0.46 CNC(=O)CSCCSC 62a_100000212216_100000183359 [1,0,0,0,0,0|3,0,0]=4 1416 B9R0.46 CNC(=O)NCCCCO 2708a_100000750430_106832991635 [1,0,0,0,0,0|3,0,0]=4 1417 B9R0.46 CNC(=O)NCCCCO 2708a_100102657272_100000750430 [1,0,0,0,0,0|3,0,0]=4 1418 B9R0.46 CNC(=O)NCCCCO 273464a_100000750430_100102657272 [1,0,0,0,0,0|3,0,0]=4 1419 B9R0.46 CNC(=O)NCCCCO 273464a_100102657272_100000750430 [1,0,0,0,0,0|3,0,0]=4 1420 B9R0.46 CNC(=O)NCCCCO 512a_100000750430_100102657272 [1,0,0,0,0,0|3,0,0]=4 1421 B9R0.46 CNC(=O)NCCCCO 512a_106832991638_100000750430 [1,0,0,0,0,0|3,0,0]=4 1422 B9R0.46 CNC(=O)NCCCOC 2708a_100102657272_100150723488 [1,0,0,0,0,0|3,0,0]=4 1423 B9R0.46 CNC(=O)NCCCOC 2708a_100150723488_106832991635 [1,0,0,0,0,0|3,0,0]=4 1424 B9R0.46 CNC(=O)NCCCOC 273464a_100102657272_100150723488 [1,0,0,0,0,0|3,0,0]=4 1425 B9R0.46 CNC(=O)NCCCOC 273464a_100150723488_100102657272 [1,0,0,0,0,0|3,0,0]=4 1426 B9R0.46 CNC(=O)NCCCOC 512a_106832991638_100150723488 [1,0,0,0,0,0|3,0,0]=4 1427 B9R0.46 CNC(=O)NCCCSC 2708a_100000749238_106832991635 [1,0,0,0,0,0|3,0,0]=4 1428 B9R0.46 CNC(=O)NCCCSC 2708a_100102657272_100000749238 [1,0,0,0,0,0|3,0,0]=4 1429 B9R0.46 CNC(=O)NCCCSC 273464a_100000749238_100102657272 [1,0,0,0,0,0|3,0,0]=4 1430 B9R0.46 CNC(=O)NCCCSC 273464a_100102657272_100000749238 [1,0,0,0,0,0|3,0,0]=4 1431 B9R0.46 CNC(=O)NCCCSC 512a_100000749238_100102657272 [1,0,0,0,0,0|3,0,0]=4 1432 B9R0.46 CNC(=O)NCCCSC 512a_106832991638_100000749238 [1,0,0,0,0,0|3,0,0]=4 1433 B9R0.46 CNCCCCC(=O)OC 2230a_106832991635_100000204269 [1,0,0,0,0,0|3,0,0]=4 1434 B9R0.46 CNCCCCC(=O)OC 34a_100102657272_100000204269 [1,0,0,0,0,0|3,0,0]=4 1435 B9R0.46 CNCCCCC(=O)OC 7a_106832991635_100000204269 [1,0,0,0,0,0|3,0,0]=4 1436 B9R0.46 COC(=O)CCCCO[13CH3] 34a_100000059025_200025704644 [1,0,0,0,0,0|3,0,0]=4 1437 B9R0.46 COC(=O)CCCCO[13CH3] 7a_100000059025_200025704644 [1,0,0,0,0,0|3,0,0]=4 1438 B9R0.46 COC(=O)CCCCSC 62a_100000204269_200000210301 [1,0,0,0,0,0|3,0,0]=4 1439 B9R0.46 COC(=O)CCCCSC 62a_200000210301_100000204269 [1,0,0,0,0,0|3,0,0]=4 1440 B9R0.46 COC(=O)CCCCS[13CH3] 62a_100000204269_200025704644 [1,0,0,0,0,0|3,0,0]=4 1441 B9R0.46 COC(=O)CCCCS[13CH3] 62a_200025704644_100000204269 [1,0,0,0,0,0|3,0,0]=4 1442 B9R0.46 COCCCCC(=O)CO 1458a_100000210174_100000755781 [1,0,0,0,0,0|2,0,0]=3 1443 B9R0.46 COCCCCC(=O)OC 34a_100000059025_200000210301 [1,0,0,0,0,0|3,0,0]=4 1444 B9R0.46 COCCCCC(=O)OC 34a_100138415774_100000204269 [1,0,0,0,0,0|3,0,0]=4 1445 B9R0.46 COCCCCC(=O)OC 7a_100000059025_200000210301 [1,0,0,0,0,0|3,0,0]=4 1446 B9R0.46 COCCCNC(=O)CO 240690a_100150723488_100000210174 [1,0,0,0,0,0|3,0,0]=4 1447 B9R0.46 COCCCNC(=O)CO 527a_100150723488_100000210174 [1,0,0,0,0,0|3,0,0]=4 1448 B9R0.46 CSCCCNC(=O)CO 240690a_100000749238_100000210174 [1,0,0,0,0,0|3,0,0]=4 1449 B9R0.46 CSCCCNC(=O)CO 527a_100000749238_100000210174 [1,0,0,0,0,0|3,0,0]=4 1450 B9R0.46 N#CCCCCC(=O)CO 1458a_100000210174_100000211819 [1,0,0,0,0,0|2,0,1]=4 1451 B9R0.46 NNC(=O)CCCOCF 34a_100000211488_100015361967 [1,0,0,0,0,0|3,0,0]=4 1452 B9R0.46 O=C(CF)CCCCCO 1458a_100102619762_100015361967 [1,0,0,0,0,0|3,0,0]=4 1453 B9R0.46 O=C(CO)CCCCCF 1458a_100000210174_100000729378 [1,0,0,0,0,0|2,0,0]=3 1454 B9R0.46 O=C(CO)CCCCCO 1458a_100000210174_100000746330 [1,0,0,0,0,0|2,0,0]=3 1455 B9R0.46 O=C(CO)CCOCCO 1458a_100000210174_100011215305 [1,0,0,0,0,0|3,0,0]=4 1456 B9R0.46 O=C(CO)NCCCCO 240690a_100000750430_100000210174 [1,0,0,0,0,0|3,0,0]=4 1457 B9R0.46 O=C(CO)NCCCCO 527a_100000750430_100000210174 [1,0,0,0,0,0|3,0,0]=4 1458 B11R0.4 C#CCC(=O)CCCCCCC 1458a_100000211969_100000184674 [0,1,0,0,0,0|2,0,0]=3 1459 B11R0.4 C#CCC(=O)CCCCCCC 1458a_100011220946_100000210614 [0,1,0,0,0,0|2,0,0]=3 1460 B11R0.4 C#CCC(=O)CCCCCCF 1458a_100011220946_100015922095 [0,1,0,0,0,0|3,0,0]=4 1461 B11R0.4 C#CCC(=O)CCCCCCO 1458a_100011220946_100000766143 [0,1,0,0,0,0|3,0,0]=4 1462 B11R0.4 C#CCC(=O)CCCCCCO 1458a_100011996774_100000184674 [0,1,0,0,0,0|3,0,0]=4 1463 B11R0.4 C#CCC(=O)CCCCCOC 1458a_100011935119_100000184674 [0,1,0,0,0,0|3,0,0]=4 1464 B11R0.4 C#CCC(=O)CCOCCCC 1458a_100011220946_100000743108 [0,1,0,0,0,0|3,0,0]=4 1465 B11R0.4 C#CCC(=O)NCCCCCC 1626a_100000210581_100011220946 [0,1,0,0,0,0|3,0,0]=4 1466 B11R0.4 C#CCC(=O)NCCCCCC 527a_100000210581_100011220946 [0,1,0,0,0,0|3,0,0]=4 1467 B11R0.4 C#CCCCCCC(=O)CCO 1458a_100000694772_100000211926 [0,1,0,0,0,0|1,0,2]=4 1468 B11R0.4 C#CCCCCCC(=O)CCO 1458a_100011216618_100012094781 [0,1,0,0,0,0|1,0,2]=4 1469 B11R0.4 C#CCCCCCC(=O)COC 1458a_100000210968_100012094781 [0,1,0,0,0,0|1,0,2]=4 1470 B11R0.4 C#CCCCCCC(=O)NCC 11a_100015525214_100000694772 [0,1,0,0,0,0|1,0,2]=4 1471 B11R0.4 C#CCCCCCC(=O)NCC 240690a_100015525214_100000694772 [0,1,0,0,0,0|1,0,2]=4 1472 B11R0.4 C#CCCCCCC(=O)NCC 527a_100015525214_100000694772 [0,1,0,0,0,0|1,0,2]=4 1473 B11R0.4 C#CCCCCCC(=O)NNC 22a_100016993582_100000694772 [0,1,0,0,0,0|1,0,2]=4 1474 B11R0.4 C#CCCCNCC(=O)NCO 34a_100000718082_100000185155 [0,1,0,0,0,0|1,0,2]=4 1475 B11R0.4 C#CCCCOCC(=O)NCO 34a_100000215630_100000185155 [0,1,0,0,0,0|1,0,2]=4 1476 B11R0.4 C#CCCCOCC(=O)NCO 7a_100000215630_100000185155 [0,1,0,0,0,0|1,0,2]=4 1477 B11R0.4 C#CCCCSCC(=O)NCO 62a_100000185155_100011215417 [0,1,0,0,0,0|1,0,2]=4 1478 B11R0.4 C#CCCCSCC(=O)NCO 62a_100011215417_100000185155 [0,1,0,0,0,0|1,0,2]=4 1479 B11R0.4 C/C=C/CCOCC(=O)NCO 34a_100016278192_100000185155 [0,1,0,0,0,0|1,0,2]=4 1480 B11R0.4 C=CCC(=O)CCCCCCC 1458a_100000210193_100000210614 [0,1,0,0,0,0|2,0,0]=3 1481 B11R0.4 C=CCC(=O)CCCCCCC 1458a_100000211969_100000210623 [0,1,0,0,0,0|2,0,0]=3 1482 B11R0.4 C=CCC(=O)CCCCCCF 1458a_100000210193_100015922095 [0,1,0,0,0,0|3,0,0]=4 1483 B11R0.4 C=CCC(=O)CCCCCCO 1458a_100000210193_100000766143 [0,1,0,0,0,0|3,0,0]=4 1484 B11R0.4 C=CCC(=O)CCCCCCO 1458a_100011996774_100000210623 [0,1,0,0,0,0|3,0,0]=4 1485 B11R0.4 C=CCC(=O)CCCCCOC 1458a_100011935119_100000210623 [0,1,0,0,0,0|3,0,0]=4 1486 B11R0.4 C=CCC(=O)CCOCCCC 1458a_100000210193_100000743108 [0,1,0,0,0,0|3,0,0]=4 1487 B11R0.4 C=CCC(=O)NCCCCCC 11a_100000210581_100000210193 [0,1,0,0,0,0|3,0,0]=4 1488 B11R0.4 C=CCC(=O)NCCCCCC 1626a_100000210581_100000210193 [0,1,0,0,0,0|3,0,0]=4 1489 B11R0.4 C=CCC(=O)NCCCCCC 240690a_100000210581_100000210193 [0,1,0,0,0,0|3,0,0]=4 1490 B11R0.4 C=CCC(=O)NCCCCCC 527a_100000210581_100000210193 [0,1,0,0,0,0|3,0,0]=4 1491 B11R0.4 C=CCCCCCC(=O)CCO 1458a_100011216618_100000700193 [0,1,0,0,0,0|1,0,2]=4 1492 B11R0.4 C=CCCCCCC(=O)CCO 1458a_100011934241_100000211926 [0,1,0,0,0,0|1,0,2]=4 1493 B11R0.4 C=CCCCCCC(=O)COC 1458a_100000210968_100000700193 [0,1,0,0,0,0|1,0,2]=4 1494 B11R0.4 C=CCCCCCC(=O)NCC 11a_100015525214_100011934241 [0,1,0,0,0,0|1,0,2]=4 1495 B11R0.4 C=CCCCCCC(=O)NCC 240690a_100015525214_100011934241 [0,1,0,0,0,0|1,0,2]=4 1496 B11R0.4 C=CCCCCCC(=O)NCC 527a_100015525214_100011934241 [0,1,0,0,0,0|1,0,2]=4 1497 B11R0.4 C=CCCCCCC(=O)NNC 22a_100016993582_100011934241 [0,1,0,0,0,0|1,0,2]=4 1498 B11R0.4 C=CCCCNCC(=O)NCO 2230a_100000700776_100000185155 [0,1,0,0,0,0|1,0,2]=4 1499 B11R0.4 C=CCCCNCC(=O)NCO 34a_100000700776_100000185155 [0,1,0,0,0,0|1,0,2]=4 1500 B11R0.4 C=CCCCOCC(=O)NCO 34a_100000758997_100000185155 [0,1,0,0,0,0|1,0,2]=4 1501 B11R0.4 C=CCCCOCC(=O)NCO 7a_100000758997_100000185155 [0,1,0,0,0,0|1,0,2]=4 1502 B11R0.4 C=CCCCSCC(=O)NCO 62a_100000185155_100000757094 [0,1,0,0,0,0|1,0,2]=4 1503 B11R0.4 C=CCCCSCC(=O)NCO 62a_100011713584_100000185155 [0,1,0,0,0,0|1,0,2]=4 1504 B11R0.4 C=COC(=O)CNCCCCC 2230a_100000209983_100000036128 [0,1,0,0,0,0|3,0,0]=4 1505 B11R0.4 C=COC(=O)COCCCCC 34a_100000210253_100000036128 [0,1,0,0,0,0|3,0,0]=4 1506 B11R0.4 C=COC(=O)CSCCCCC 62a_100000036128_100000210326 [0,1,0,0,0,0|3,0,0]=4 1507 B11R0.4 C=COC(=O)CSCCCCC 62a_100000210326_100000036128 [0,1,0,0,0,0|3,0,0]=4 1508 B11R0.4 CC#CC(=O)CCCCCCC 1458a_100000763181_100000210614 [0,1,0,0,0,0|2,0,0]=3 1509 B11R0.4 CC#CC(=O)CCCCCCF 1458a_100000763181_100015922095 [0,1,0,0,0,0|3,0,0]=4 1510 B11R0.4 CC#CC(=O)CCCCCCO 1458a_100000763181_100000766143 [0,1,0,0,0,0|3,0,0]=4 1511 B11R0.4 CC#CC(=O)CCOCCCC 1458a_100000763181_100000743108 [0,1,0,0,0,0|3,0,0]=4 1512 B11R0.4 CC#CCCOCC(=O)NCO 34a_100000750427_100000185155 [0,1,0,0,0,0|1,0,2]=4 1513 B11R0.4 CC/C=C\COCC(=O)NCO 34a_100016268518_100000185155 [0,1,0,0,0,0|1,0,2]=4 1514 B11R0.4 CC/C=C\CSCC(=O)NCO 62a_100000185155_100103147603 [0,1,0,0,0,0|1,0,2]=4 1515 B11R0.4 CC/C=C\CSCC(=O)NCO 62a_100103147603_100000185155 [0,1,0,0,0,0|1,0,2]=4 1516 B11R0.4 CC=CC(=O)CCCCCCC 1458a_100000210699_100000210614 [0,1,0,0,0,0|2,0,0]=3 1517 B11R0.4 CC=CC(=O)CCCCCCF 1458a_100000210699_100015922095 [0,1,0,0,0,0|3,0,0]=4 1518 B11R0.4 CC=CC(=O)CCCCCCO 1458a_100000210699_100000766143 [0,1,0,0,0,0|3,0,0]=4 1519 B11R0.4 CC=CC(=O)CCOCCCC 1458a_100000210699_100000743108 [0,1,0,0,0,0|3,0,0]=4 1520 B11R0.4 CC=CC(=O)NCCCCCC 11a_100000210581_100000210699 [0,1,0,0,0,0|3,0,0]=4 1521 B11R0.4 CC=CC(=O)NCCCCCC 1626a_100000210581_100000210699 [0,1,0,0,0,0|3,0,0]=4 1522 B11R0.4 CC=CC(=O)NCCCCCC 240690a_100000210581_100000210699 [0,1,0,0,0,0|3,0,0]=4 1523 B11R0.4 CCC#CCOCC(=O)NCO 34a_100000032950_100000185155 [0,1,0,0,0,0|1,0,2]=4 1524 B11R0.4 CCC#CCSCC(=O)NCO 62a_100000185155_100009813939 [0,1,0,0,0,0|1,0,2]=4 1525 B11R0.4 CCC#CCSCC(=O)NCO 62a_100009813939_100000185155 [0,1,0,0,0,0|1,0,2]=4 1526 B11R0.4 CCCC(=O)CCCCCCF 1458a_100000211992_100015922095 [0,1,0,0,0,0|3,0,0]=4 1527 B11R0.4 CCCC(=O)CCCCCCO 1458a_100000211992_100000766143 [0,1,0,0,0,0|3,0,0]=4 1528 B11R0.4 CCCC(=O)CCCCCCO 1458a_100011996774_100000210303 [0,1,0,0,0,0|3,0,0]=4 1529 B11R0.4 CCCC(=O)CCCCCOC 1458a_100011935119_100000210303 [0,1,0,0,0,0|3,0,0]=4 1530 B11R0.4 CCCC/C=C/CC(=O)CCO 1458a_200016282684_100000211926 [0,1,0,0,0,0|1,0,2]=4 1531 B11R0.4 CCCC/C=C/CC(=O)NCC 11a_100015525214_200016282684 [0,1,0,0,0,0|1,0,2]=4 1532 B11R0.4 CCCC/C=C/CC(=O)NCC 240690a_100015525214_200016282684 [0,1,0,0,0,0|1,0,2]=4 1533 B11R0.4 CCCC/C=C/CC(=O)NCC 527a_100015525214_200016282684 [0,1,0,0,0,0|1,0,2]=4 1534 B11R0.4 CCCC/C=C/CC(=O)NNC 22a_100016993582_200016282684 [0,1,0,0,0,0|1,0,2]=4 1535 B11R0.4 CCCCCC#CC(=O)CCO 1458a_100011215388_100000211926 [0,1,0,0,0,0|1,0,2]=4 1536 B11R0.4 CCCCCC#CC(=O)NCC 240690a_100015525214_100011215388 [0,1,0,0,0,0|1,0,2]=4 1537 B11R0.4 CCCCCC#CC(=O)NNC 22a_100016993582_100011215388 [0,1,0,0,0,0|1,0,2]=4 1538 B11R0.4 CCCCCC=CC(=O)CCO 1458a_100016263427_100000211926 [0,1,0,0,0,0|1,0,2]=4 1539 B11R0.4 CCCCCC=CC(=O)NCC 11a_100015525214_100016263427 [0,1,0,0,0,0|1,0,2]=4 1540 B11R0.4 CCCCCC=CC(=O)NCC 240690a_100015525214_100016263427 [0,1,0,0,0,0|1,0,2]=4 1541 B11R0.4 CCCCCC=CC(=O)NNC 22a_100016993582_100016263427 [0,1,0,0,0,0|1,0,2]=4 1542 B11R0.4 CCCCCCCC(=O)C=CBr 1458a_100016273825_100000210614 [0,1,0,0,0,0|2,0,0]=3 1543 B11R0.4 CCCCCCCC(=O)C=CCl 1458a_200016279998_100000210614 [0,1,0,0,0,0|2,0,0]=3 1544 B11R0.4 CCCCCCCC(=O)C=CI 1458a_100016256311_100000210614 [0,1,0,0,0,0|2,0,0]=3 1545 B11R0.4 CCCCCCCC(=O)CC#N 1458a_100000211969_100011214920 [0,1,0,0,0,0|2,0,0]=3 1546 B11R0.4 CCCCCCCC(=O)CC#N 1458a_100051588842_100000210614 [0,1,0,0,0,0|2,0,0]=3 1547 B11R0.4 CCCCCCCC(=O)CCC 1458a_100000211969_100000210303 [0,1,0,0,0,0|2,0,0]=3 1548 B11R0.4 CCCCCCCC(=O)CCC 1458a_100000211992_100000210614 [0,1,0,0,0,0|2,0,0]=3 1549 B11R0.4 CCCCCCCC(=O)CCF 1458a_100000211969_100011217306 [0,1,0,0,0,0|2,0,0]=3 1550 B11R0.4 CCCCCCCC(=O)CCO 1458a_100000211969_100000211926 [0,1,0,0,0,0|1,0,0]=2 1551 B11R0.4 CCCCCCCC(=O)CCO 1458a_100011216618_100000210614 [0,1,0,0,0,0|1,0,0]=2 1552 B11R0.4 CCCCCCCC(=O)COC 1458a_100000210968_100000210614 [0,1,0,0,0,0|1,0,0]=2 1553 B11R0.4 CCCCCCCC(=O)CSC 1458a_100000184570_100000210614 [0,1,0,0,0,0|1,1,0]=3 1554 B11R0.4 CCCCCCCC(=O)NCC 11a_100015525214_100000211969 [0,1,0,0,0,0|1,0,0]=2 1555 B11R0.4 CCCCCCCC(=O)NCC 240690a_100015525214_100000211969 [0,1,0,0,0,0|1,0,0]=2 1556 B11R0.4 CCCCCCCC(=O)NCC 527a_100015525214_100000211969 [0,1,0,0,0,0|1,0,0]=2 1557 B11R0.4 CCCCCCCC(=O)NNC 22a_100016993582_100000211969 [0,1,0,0,0,0|1,0,0]=2 1558 B11R0.4 CCCCCCCC(C)NCC 2230a_100015525214_200011218727 [0,1,0,0,0,0|2,0,1]=4 1559 B11R0.4 CCCCCCCC(C)NCC 270004a_100015525214_100000210596 [0,1,0,0,0,0|2,0,1]=4 1560 B11R0.4 CCCCCCCN(C)CCO 2230a_100000210263_100000210681 [0,1,0,0,0,0|3,0,0]=4 1561 B11R0.4 CCCCCCCN(C)CCO 2230a_100000228206_100000211926 [0,1,0,0,0,0|3,0,0]=4 1562 B11R0.4 CCCCCCCN(C)CCO 269982a_100000210263_100000210681 [0,1,0,0,0,0|3,0,0]=4 1563 B11R0.4 CCCCCCCN(C)CCO 269982a_100000228206_100000211926 [0,1,0,0,0,0|3,0,0]=4 1564 B11R0.4 CCCCCCCN(C)COC 2230a_100000228206_100000766300 [0,1,0,0,0,0|3,0,0]=4 1565 B11R0.4 CCCCCCCN(C)COC 269982a_100000228206_100000766300 [0,1,0,0,0,0|3,0,0]=4 1566 B11R0.4 CCCCCCNC(=O)C=CBr 1626a_100000210581_100016273825 [0,1,0,0,0,0|3,0,0]=4 1567 B11R0.4 CCCCCCNC(=O)C=CBr 240690a_100000210581_100016273825 [0,1,0,0,0,0|3,0,0]=4 1568 B11R0.4 CCCCCCNC(=O)C=CCl 11a_100000210581_200016279998 [0,1,0,0,0,0|3,0,0]=4 1569 B11R0.4 CCCCCCNC(=O)C=CCl 1626a_100000210581_200016279998 [0,1,0,0,0,0|3,0,0]=4 1570 B11R0.4 CCCCCCNC(=O)C=CCl 240690a_100000210581_200016279998 [0,1,0,0,0,0|3,0,0]=4 1571 B11R0.4 CCCCCCNC(=O)C=CI 1626a_100000210581_100016256311 [0,1,0,0,0,0|3,0,0]=4 1572 B11R0.4 CCCCCCNC(=O)CC#N 1626a_100000210581_100051588842 [0,1,0,0,0,0|3,0,0]=4 1573 B11R0.4 CCCCCCNC(=O)CC#N 240690a_100000210581_100051588842 [0,1,0,0,0,0|3,0,0]=4 1574 B11R0.4 CCCCCCNC(=O)CCC 11a_100000210581_100000211992 [0,1,0,0,0,0|3,0,0]=4 1575 B11R0.4 CCCCCCNC(=O)CCC 1626a_100000210581_100000211992 [0,1,0,0,0,0|3,0,0]=4 1576 B11R0.4 CCCCCCNC(=O)CCC 240690a_100000210581_100000211992 [0,1,0,0,0,0|3,0,0]=4 1577 B11R0.4 CCCCCCNC(=O)CCC 527a_100000210581_100000211992 [0,1,0,0,0,0|3,0,0]=4 1578 B11R0.4 CCCCCCNC(=O)CCO 240690a_100000210581_100011216618 [0,1,0,0,0,0|2,0,0]=3 1579 B11R0.4 CCCCCCNC(=O)CNC 2230a_106832991635_100000230325 [0,1,0,0,0,0|2,0,0]=3 1580 B11R0.4 CCCCCCNC(=O)CNC 34a_100102657272_100000230325 [0,1,0,0,0,0|2,0,0]=3 1581 B11R0.4 CCCCCCNC(=O)CNC 7a_106832991635_100000230325 [0,1,0,0,0,0|2,0,0]=3 1582 B11R0.4 CCCCCCNC(=O)COC 11a_100000210581_100000210968 [0,1,0,0,0,0|2,0,0]=3 1583 B11R0.4 CCCCCCNC(=O)COC 1626a_100000210581_100000210968 [0,1,0,0,0,0|2,0,0]=3 1584 B11R0.4 CCCCCCNC(=O)COC 240690a_100000210581_100000210968 [0,1,0,0,0,0|2,0,0]=3 1585 B11R0.4 CCCCCCNC(=O)COC 34a_100138415774_100000230325 [0,1,0,0,0,0|2,0,0]=3 1586 B11R0.4 CCCCCCNC(=O)COC 527a_100000210581_100000210968 [0,1,0,0,0,0|2,0,0]=3 1587 B11R0.4 CCCCCCNC(=O)CSC 11a_100000210581_100000184570 [0,1,0,0,0,0|2,1,0]=4 1588 B11R0.4 CCCCCCNC(=O)CSC 1626a_100000210581_100000184570 [0,1,0,0,0,0|2,1,0]=4 1589 B11R0.4 CCCCCCNC(=O)CSC 240690a_100000210581_100000184570 [0,1,0,0,0,0|2,1,0]=4 1590 B11R0.4 CCCCCCNC(=O)CSC 527a_100000210581_100000184570 [0,1,0,0,0,0|2,1,0]=4 1591 B11R0.4 CCCCCCNC(=O)CSC 62a_100000230325_200000210301 [0,1,0,0,0,0|2,1,0]=4 1592 B11R0.4 CCCCCCNC(=O)CS[13CH3] 62a_100000230325_200025704644 [0,1,0,0,0,0|2,1,0]=4 1593 B11R0.4 CCCCCCNC(=O)NCC 2708a_100000210581_100015525214 [0,1,0,0,0,0|2,0,0]=3 1594 B11R0.4 CCCCCCNC(=O)NCC 2708a_100015525214_100000210581 [0,1,0,0,0,0|2,0,0]=3 1595 B11R0.4 CCCCCCNC(=O)NCC 273464a_100000210581_100015525214 [0,1,0,0,0,0|2,0,0]=3 1596 B11R0.4 CCCCCCNC(=O)NCC 273464a_100015525214_100000210581 [0,1,0,0,0,0|2,0,0]=3 1597 B11R0.4 CCCCCCNC(=O)NCC 512a_100000210581_100015525214 [0,1,0,0,0,0|2,0,0]=3 1598 B11R0.4 CCCCCCNC(=O)NCC 512a_100015525214_100000210581 [0,1,0,0,0,0|2,0,0]=3 1599 B11R0.4 CCCCCCNC(=O)NNC 273464a_100000210581_100016993582 [0,1,0,0,0,0|2,0,0]=3 1600 B11R0.4 CCCCCCNC(=O)NNC 512a_100000210581_100016993582 [0,1,0,0,0,0|2,0,0]=3 1601 B11R0.4 CCCCCCNC(=O)NNC 512a_100016993582_100000210581 [0,1,0,0,0,0|2,0,0]=3 1602 B11R0.4 CCCCCNCC(=O)CCC 2230a_100000209983_100000747444 [0,1,0,0,0,0|3,0,0]=4 1603 B11R0.4 CCCCCNCC(=O)NCC 2230a_100000209983_100000183381 [0,1,0,0,0,0|2,0,0]=3 1604 B11R0.4 CCCCCNCC(=O)NCC 2230a_100016988866_100000210326 [0,1,0,0,0,0|2,0,0]=3 1605 B11R0.4 CCCCCNCC(=O)NCO 2230a_100000209983_100000185155 [0,1,0,0,0,0|1,0,0]=2 1606 B11R0.4 CCCCCNCC(=O)OCC 2230a_100000209983_100000188475 [0,1,0,0,0,0|3,0,0]=4 1607 B11R0.4 CCCCCNNC(=O)CCO 22a_100000694160_100011216618 [0,1,0,0,0,0|3,0,0]=4 1608 B11R0.4 CCCCCNNC(=O)COC 22a_100000694160_100000210968 [0,1,0,0,0,0|3,0,0]=4 1609 B11R0.4 CCCCCNNC(=O)NCC 273464a_100015525214_100000694160 [0,1,0,0,0,0|3,0,0]=4 1610 B11R0.4 CCCCCNNC(=O)NCC 512a_100000694160_100015525214 [0,1,0,0,0,0|3,0,0]=4 1611 B11R0.4 CCCCCNNC(=O)NCC 512a_100015525214_100000694160 [0,1,0,0,0,0|3,0,0]=4 1612 B11R0.4 CCCCCNNC(=O)NNC 512a_100000694160_100016993582 [0,1,0,0,0,0|3,0,0]=4 1613 B11R0.4 CCCCCNNC(=O)NNC 512a_100016993582_100000694160 [0,1,0,0,0,0|3,0,0]=4 1614 B11R0.4 CCCCCOCC(=O)CCC 7a_100000210253_100000747444 [0,1,0,0,0,0|3,0,0]=4 1615 B11R0.4 CCCCCOCC(=O)NCC 34a_100000210253_100000183381 [0,1,0,0,0,0|2,0,0]=3 1616 B11R0.4 CCCCCOCC(=O)NCC 7a_100000210253_100000183381 [0,1,0,0,0,0|2,0,0]=3 1617 B11R0.4 CCCCCOCC(=O)NCO 34a_100000210253_100000185155 [0,1,0,0,0,0|1,0,0]=2 1618 B11R0.4 CCCCCOCC(=O)NCO 7a_100000210253_100000185155 [0,1,0,0,0,0|1,0,0]=2 1619 B11R0.4 CCCCCOCC(=O)OCC 34a_100000210253_100000188475 [0,1,0,0,0,0|3,0,0]=4 1620 B11R0.4 CCCCCOCC(=O)OCC 7a_100000210253_100000188475 [0,1,0,0,0,0|3,0,0]=4 1621 B11R0.4 CCCCCSCC(=O)CCC 62a_100000210326_100000747444 [0,1,0,0,0,0|3,0,0]=4 1622 B11R0.4 CCCCCSCC(=O)CCC 62a_100000747444_100000210326 [0,1,0,0,0,0|3,0,0]=4 1623 B11R0.4 CCCCCSCC(=O)NCC 62a_100000183381_100000210326 [0,1,0,0,0,0|2,0,0]=3 1624 B11R0.4 CCCCCSCC(=O)NCC 62a_100000210326_100000183381 [0,1,0,0,0,0|2,0,0]=3 1625 B11R0.4 CCCCCSCC(=O)NCO 62a_100000185155_100000210326 [0,1,0,0,0,0|1,0,0]=2 1626 B11R0.4 CCCCCSCC(=O)NCO 62a_100000210326_100000185155 [0,1,0,0,0,0|1,0,0]=2 1627 B11R0.4 CCCCCSCC(=O)OCC 62a_100000188475_100000210326 [0,1,0,0,0,0|3,0,0]=4 1628 B11R0.4 CCCCCSCC(=O)OCC 62a_100000210326_100000188475 [0,1,0,0,0,0|3,0,0]=4 1629 B11R0.4 CCCCNCCC(=O)NCC 2230a_100000102301_100000737597 [0,1,0,0,0,0|2,0,0]=3 1630 B11R0.4 CCCCNCCC(=O)NCC 34a_100025743525_100000210210 [0,1,0,0,0,0|2,0,0]=3 1631 B11R0.4 CCCCNCCC(=O)NCC 7a_106832991798_100000737597 [0,1,0,0,0,0|2,0,0]=3 1632 B11R0.4 CCCCNCCC(=O)OCC 2230a_100000102301_100011206558 [0,1,0,0,0,0|3,0,0]=4 1633 B11R0.4 CCCCNCCC(=O)OCC 7a_106832991798_100011206558 [0,1,0,0,0,0|3,0,0]=4 1634 B11R0.4 CCCCOCCC(=O)C=CBr 1458a_100016273825_100000743108 [0,1,0,0,0,0|3,0,0]=4 1635 B11R0.4 CCCCOCCC(=O)C=CCl 1458a_200016279998_100000743108 [0,1,0,0,0,0|3,0,0]=4 1636 B11R0.4 CCCCOCCC(=O)C=CI 1458a_100016256311_100000743108 [0,1,0,0,0,0|3,0,0]=4 1637 B11R0.4 CCCCOCCC(=O)CC#N 1458a_100051588842_100000743108 [0,1,0,0,0,0|3,0,0]=4 1638 B11R0.4 CCCCOCCC(=O)CCC 1458a_100000211992_100000743108 [0,1,0,0,0,0|3,0,0]=4 1639 B11R0.4 CCCCOCCC(=O)CCO 1458a_100011216618_100000743108 [0,1,0,0,0,0|2,0,0]=3 1640 B11R0.4 CCCCOCCC(=O)COC 1458a_100000210968_100000743108 [0,1,0,0,0,0|2,0,0]=3 1641 B11R0.4 CCCCOCCC(=O)CSC 1458a_100000184570_100000743108 [0,1,0,0,0,0|2,1,0]=4 1642 B11R0.4 CCCCOCCC(=O)NCC 7a_100000210227_100000737597 [0,1,0,0,0,0|2,0,0]=3 1643 B11R0.4 CCCCOCCC(=O)OCC 34a_100000210227_100000765890 [0,1,0,0,0,0|3,0,0]=4 1644 B11R0.4 CCCCOCCC(=O)OCC 7a_100000210227_100011206558 [0,1,0,0,0,0|3,0,0]=4 1645 B11R0.4 CCCCSCCC(=O)NCC 62a_100000210211_100000737597 [0,1,0,0,0,0|2,0,0]=3 1646 B11R0.4 CCCCSCCC(=O)NCC 62a_100000737597_100000210210 [0,1,0,0,0,0|2,0,0]=3 1647 B11R0.4 CCCCSCCC(=O)OCC 62a_100000210211_100000765890 [0,1,0,0,0,0|3,0,0]=4 1648 B11R0.4 CCCCSCCC(=O)OCC 62a_100000765890_100000210210 [0,1,0,0,0,0|3,0,0]=4 1649 B11R0.4 CCCOCCCC(=O)OCC 34a_100000210258_100009991533 [0,1,0,0,0,0|3,0,0]=4 1650 B11R0.4 CCCOCCCC(=O)OCC 7a_100012001163_100000210303 [0,1,0,0,0,0|3,0,0]=4 1651 B11R0.4 CCCOCCNC(=O)CCO 240690a_100161115042_100011216618 [0,1,0,0,0,0|3,0,0]=4 1652 B11R0.4 CCCOCCNC(=O)COC 1626a_100161115042_100000210968 [0,1,0,0,0,0|3,0,0]=4 1653 B11R0.4 CCCOCCNC(=O)COC 240690a_100161115042_100000210968 [0,1,0,0,0,0|3,0,0]=4 1654 B11R0.4 CCCOCCNC(=O)COC 527a_100161115042_100000210968 [0,1,0,0,0,0|3,0,0]=4 1655 B11R0.4 CCCOCCNC(=O)NCC 2708a_100015525214_100161115042 [0,1,0,0,0,0|3,0,0]=4 1656 B11R0.4 CCCOCCNC(=O)NCC 2708a_100161115042_100015525214 [0,1,0,0,0,0|3,0,0]=4 1657 B11R0.4 CCCOCCNC(=O)NCC 273464a_100015525214_100161115042 [0,1,0,0,0,0|3,0,0]=4 1658 B11R0.4 CCCOCCNC(=O)NCC 273464a_100161115042_100015525214 [0,1,0,0,0,0|3,0,0]=4 1659 B11R0.4 CCCOCCNC(=O)NCC 512a_100015525214_100161115042 [0,1,0,0,0,0|3,0,0]=4 1660 B11R0.4 CCCOCCNC(=O)NCC 512a_100161115042_100015525214 [0,1,0,0,0,0|3,0,0]=4 1661 B11R0.4 CCCOCCNC(=O)NNC 273464a_100161115042_100016993582 [0,1,0,0,0,0|3,0,0]=4 1662 B11R0.4 CCCOCCNC(=O)NNC 512a_100016993582_100161115042 [0,1,0,0,0,0|3,0,0]=4 1663 B11R0.4 CCCOCCNC(=O)NNC 512a_100161115042_100016993582 [0,1,0,0,0,0|3,0,0]=4 1664 B11R0.4 CCCSCCCC(=O)OCC 62a_100000210303_100009991533 [0,1,0,0,0,0|3,0,0]=4 1665 B11R0.4 CCCSCCCC(=O)OCC 62a_100009991533_100000210303 [0,1,0,0,0,0|3,0,0]=4 1666 B11R0.4 CCCSCCNC(=O)CCO 240690a_100020603323_100011216618 [0,1,0,0,0,0|3,0,0]=4 1667 B11R0.4 CCCSCCNC(=O)COC 11a_100020603323_100000210968 [0,1,0,0,0,0|3,0,0]=4 1668 B11R0.4 CCCSCCNC(=O)COC 240690a_100020603323_100000210968 [0,1,0,0,0,0|3,0,0]=4 1669 B11R0.4 CCCSCCNC(=O)COC 527a_100020603323_100000210968 [0,1,0,0,0,0|3,0,0]=4 1670 B11R0.4 CCCSCCNC(=O)NCC 2708a_100015525214_100020603323 [0,1,0,0,0,0|3,0,0]=4 1671 B11R0.4 CCCSCCNC(=O)NCC 2708a_100020603323_100015525214 [0,1,0,0,0,0|3,0,0]=4 1672 B11R0.4 CCCSCCNC(=O)NCC 273464a_100015525214_100020603323 [0,1,0,0,0,0|3,0,0]=4 1673 B11R0.4 CCCSCCNC(=O)NCC 273464a_100020603323_100015525214 [0,1,0,0,0,0|3,0,0]=4 1674 B11R0.4 CCCSCCNC(=O)NCC 512a_100015525214_100020603323 [0,1,0,0,0,0|3,0,0]=4 1675 B11R0.4 CCCSCCNC(=O)NCC 512a_100020603323_100015525214 [0,1,0,0,0,0|3,0,0]=4 1676 B11R0.4 CCCSCCNC(=O)NNC 273464a_100020603323_100016993582 [0,1,0,0,0,0|3,0,0]=4 1677 B11R0.4 CCCSCCNC(=O)NNC 512a_100016993582_100020603323 [0,1,0,0,0,0|3,0,0]=4 1678 B11R0.4 CCCSCCNC(=O)NNC 512a_100020603323_100016993582 [0,1,0,0,0,0|3,0,0]=4 1679 B11R0.4 CCNC(=O)CCCCCCO 240690a_100015525214_100011996774 [0,1,0,0,0,0|2,0,0]=3 1680 B11R0.4 CCNC(=O)CCCCCOC 11a_100015525214_100011935119 [0,1,0,0,0,0|2,0,0]=3 1681 B11R0.4 CCNC(=O)CCCCCOC 240690a_100015525214_100011935119 [0,1,0,0,0,0|2,0,0]=3 1682 B11R0.4 CCNC(=O)CCCCCOC 527a_100015525214_100011935119 [0,1,0,0,0,0|2,0,0]=3 1683 B11R0.4 CCNC(=O)CCNCCCF 2230a_100015189416_100000737597 [0,1,0,0,0,0|3,0,0]=4 1684 B11R0.4 CCNC(=O)CCNCCCF 34a_100025743525_100011934791 [0,1,0,0,0,0|3,0,0]=4 1685 B11R0.4 CCNC(=O)CCNCCCO 34a_100025743525_100000230001 [0,1,0,0,0,0|3,0,0]=4 1686 B11R0.4 CCNC(=O)CCNCCOC 2230a_100000209980_100000737597 [0,1,0,0,0,0|3,0,0]=4 1687 B11R0.4 CCNC(=O)CCNCCOC 34a_100025743525_100011201679 [0,1,0,0,0,0|3,0,0]=4 1688 B11R0.4 CCNC(=O)CCNCCSC 2230a_100020590264_100000737597 [0,1,0,0,0,0|3,0,0]=4 1689 B11R0.4 CCNC(=O)CCNCCSC 34a_100025743525_100000212216 [0,1,0,0,0,0|3,0,0]=4 1690 B11R0.4 CCNC(=O)CCOCCOC 11a_100015525214_100000745395 [0,1,0,0,0,0|3,0,0]=4 1691 B11R0.4 CCNC(=O)CCOCCOC 240690a_100015525214_100000745395 [0,1,0,0,0,0|3,0,0]=4 1692 B11R0.4 CCNC(=O)CCOCCOC 527a_100015525214_100000745395 [0,1,0,0,0,0|3,0,0]=4 1693 B11R0.4 CCNC(=O)CCOCCSC 7a_100000230434_100000737597 [0,1,0,0,0,0|3,0,0]=4 1694 B11R0.4 CCNC(=O)CCSCCCF 62a_100000737597_100011934791 [0,1,0,0,0,0|3,0,0]=4 1695 B11R0.4 CCNC(=O)CCSCCCF 62a_100011934791_100000737597 [0,1,0,0,0,0|3,0,0]=4 1696 B11R0.4 CCNC(=O)CCSCCCO 62a_100000737597_100011215043 [0,1,0,0,0,0|3,0,0]=4 1697 B11R0.4 CCNC(=O)CCSCCCO 62a_100011215043_100000737597 [0,1,0,0,0,0|3,0,0]=4 1698 B11R0.4 CCNC(=O)CCSCCOC 62a_100000233755_100000737597 [0,1,0,0,0,0|3,0,0]=4 1699 B11R0.4 CCNC(=O)CCSCCOC 62a_100000737597_100000233755 [0,1,0,0,0,0|3,0,0]=4 1700 B11R0.4 CCNC(=O)CCSCCSC 62a_100000212216_100000737597 [0,1,0,0,0,0|3,0,0]=4 1701 B11R0.4 CCNC(=O)CCSCCSC 62a_100000737597_100000751147 [0,1,0,0,0,0|3,0,0]=4 1702 B11R0.4 CCNC(=O)CCSCOCC 62a_100000737597_100000739092 [0,1,0,0,0,0|3,0,0]=4 1703 B11R0.4 CCNC(=O)CCSCOCC 62a_100000739092_100000737597 [0,1,0,0,0,0|3,0,0]=4 1704 B11R0.4 CCNC(=O)CNCCCCF 2230a_100016988866_100000729493 [0,1,0,0,0,0|3,0,0]=4 1705 B11R0.4 CCNC(=O)CNCCCCO 2230a_100000750430_100000183381 [0,1,0,0,0,0|3,0,0]=4 1706 B11R0.4 CCNC(=O)CNCCCCO 2230a_100016988866_100000210776 [0,1,0,0,0,0|3,0,0]=4 1707 B11R0.4 CCNC(=O)CNCCCCO 34a_100000750430_100000183381 [0,1,0,0,0,0|3,0,0]=4 1708 B11R0.4 CCNC(=O)CNCCCOC 2230a_100016988866_100000740836 [0,1,0,0,0,0|3,0,0]=4 1709 B11R0.4 CCNC(=O)CNCCCOC 34a_100150723488_100000183381 [0,1,0,0,0,0|3,0,0]=4 1710 B11R0.4 CCNC(=O)CNCCCSC 2230a_100000749238_100000183381 [0,1,0,0,0,0|3,0,0]=4 1711 B11R0.4 CCNC(=O)CNCCOCC 2230a_100016988866_100011215890 [0,1,0,0,0,0|3,0,0]=4 1712 B11R0.4 CCNC(=O)CNCCOCC 2230a_102516460346_100000183381 [0,1,0,0,0,0|3,0,0]=4 1713 B11R0.4 CCNC(=O)CNCCOCC 34a_102516460346_100000183381 [0,1,0,0,0,0|3,0,0]=4 1714 B11R0.4 CCNC(=O)CNCCSCC 2230a_100000106463_100000183381 [0,1,0,0,0,0|3,0,0]=4 1715 B11R0.4 CCNC(=O)CNCCSCC 2230a_100016988866_100000757381 [0,1,0,0,0,0|3,0,0]=4 1716 B11R0.4 CCNC(=O)COCCCCBr 34a_100011216708_100000183381 [0,1,0,0,0,0|3,0,0]=4 1717 B11R0.4 CCNC(=O)COCCCCCl 34a_100000210776_100000183381 [0,1,0,0,0,0|3,0,0]=4 1718 B11R0.4 CCNC(=O)COCCCCCl 7a_100000210776_100000183381 [0,1,0,0,0,0|3,0,0]=4 1719 B11R0.4 CCNC(=O)COCCCCF 34a_100011995726_100000183381 [0,1,0,0,0,0|3,0,0]=4 1720 B11R0.4 CCNC(=O)COCCCCF 7a_100011995726_100000183381 [0,1,0,0,0,0|3,0,0]=4 1721 B11R0.4 CCNC(=O)COCCCCI 34a_200012148704_100000183381 [0,1,0,0,0,0|3,0,0]=4 1722 B11R0.4 CCNC(=O)COCCCCN 34a_100000750430_100000183381 [0,1,0,0,0,0|3,0,0]=4 1723 B11R0.4 CCNC(=O)COCCCNC 34a_100000213112_100000183381 [0,1,0,0,0,0|3,0,0]=4 1724 B11R0.4 CCNC(=O)COCCCOC 34a_100000740835_100000183381 [0,1,0,0,0,0|3,0,0]=4 1725 B11R0.4 CCNC(=O)COCCCSC 34a_100000690336_100000183381 [0,1,0,0,0,0|3,0,0]=4 1726 B11R0.4 CCNC(=O)COCCCSC 7a_100000690336_100000183381 [0,1,0,0,0,0|3,0,0]=4 1727 B11R0.4 CCNC(=O)COCCOCC 34a_100000210136_100000183381 [0,1,0,0,0,0|3,0,0]=4 1728 B11R0.4 CCNC(=O)COCCOCC 7a_100000210136_100000183381 [0,1,0,0,0,0|3,0,0]=4 1729 B11R0.4 CCNC(=O)COCCSCC 34a_100000212035_100000183381 [0,1,0,0,0,0|3,0,0]=4 1730 B11R0.4 CCNC(=O)COCCSCC 7a_100000212035_100000183381 [0,1,0,0,0,0|3,0,0]=4 1731 B11R0.4 CCNC(=O)CSCCCCF 62a_100000183381_100000729493 [0,1,0,0,0,0|3,0,0]=4 1732 B11R0.4 CCNC(=O)CSCCCCF 62a_100000729493_100000183381 [0,1,0,0,0,0|3,0,0]=4 1733 B11R0.4 CCNC(=O)CSCCCCO 62a_100000183381_100000210776 [0,1,0,0,0,0|3,0,0]=4 1734 B11R0.4 CCNC(=O)CSCCCCO 62a_100000210776_100000183381 [0,1,0,0,0,0|3,0,0]=4 1735 B11R0.4 CCNC(=O)CSCCCOC 62a_100000183381_100000709357 [0,1,0,0,0,0|3,0,0]=4 1736 B11R0.4 CCNC(=O)CSCCCOC 62a_100000709357_100000183381 [0,1,0,0,0,0|3,0,0]=4 1737 B11R0.4 CCNC(=O)CSCCOCC 62a_100000183381_100011215890 [0,1,0,0,0,0|3,0,0]=4 1738 B11R0.4 CCNC(=O)CSCCOCC 62a_100000210147_100000183381 [0,1,0,0,0,0|3,0,0]=4 1739 B11R0.4 CCNC(=O)CSCCSCC 62a_100000183381_100000757381 [0,1,0,0,0,0|3,0,0]=4 1740 B11R0.4 CCNC(=O)CSCCSCC 62a_100000757381_100000183381 [0,1,0,0,0,0|3,0,0]=4 1741 B11R0.4 CCNC(=O)NCCCCCO 2708a_100015525214_100000762737 [0,1,0,0,0,0|3,0,0]=4 1742 B11R0.4 CCNC(=O)NCCCCCO 273464a_100000762737_100015525214 [0,1,0,0,0,0|3,0,0]=4 1743 B11R0.4 CCNC(=O)NCCCCCO 273464a_100015525214_100000762737 [0,1,0,0,0,0|3,0,0]=4 1744 B11R0.4 CCNC(=O)NCCCCCO 512a_100000762737_100015525214 [0,1,0,0,0,0|3,0,0]=4 1745 B11R0.4 CCNC(=O)NCCCCCO 512a_100015525214_100000762737 [0,1,0,0,0,0|3,0,0]=4 1746 B11R0.4 CCNC(=O)NCCCOCC 2708a_100000210961_100015525214 [0,1,0,0,0,0|3,0,0]=4 1747 B11R0.4 CCNC(=O)NCCCOCC 2708a_100015525214_100000210961 [0,1,0,0,0,0|3,0,0]=4 1748 B11R0.4 CCNC(=O)NCCCOCC 273464a_100000210961_100015525214 [0,1,0,0,0,0|3,0,0]=4 1749 B11R0.4 CCNC(=O)NCCCOCC 273464a_100015525214_100000210961 [0,1,0,0,0,0|3,0,0]=4 1750 B11R0.4 CCNC(=O)NCCCOCC 512a_100000210961_100015525214 [0,1,0,0,0,0|3,0,0]=4 1751 B11R0.4 CCNC(=O)NCCCOCC 512a_100015525214_100000210961 [0,1,0,0,0,0|3,0,0]=4 1752 B11R0.4 CCNCCCCC(=O)OCC 2230a_100015525214_100000750268 [0,1,0,0,0,0|3,0,0]=4 1753 B11R0.4 CCOC(=O)CCCCCNC 2230a_106832991635_100000755133 [0,1,0,0,0,0|3,0,0]=4 1754 B11R0.4 CCOC(=O)CCCCCNC 34a_100102657272_100000755133 [0,1,0,0,0,0|3,0,0]=4 1755 B11R0.4 CCOC(=O)CCCCCNC 7a_106832991635_100000755133 [0,1,0,0,0,0|3,0,0]=4 1756 B11R0.4 CCOC(=O)CCCCCOC 34a_100138415774_100000755133 [0,1,0,0,0,0|3,0,0]=4 1757 B11R0.4 CCOC(=O)CCCCCOC 7a_100011214988_200000210301 [0,1,0,0,0,0|3,0,0]=4 1758 B11R0.4 CCOC(=O)CCCCCO[13CH3] 7a_100011214988_200025704644 [0,1,0,0,0,0|3,0,0]=4 1759 B11R0.4 CCOC(=O)CCCCCSC 62a_100000755133_200000210301 [0,1,0,0,0,0|3,0,0]=4 1760 B11R0.4 CCOC(=O)CCCCCSC 62a_200000210301_100000755133 [0,1,0,0,0,0|3,0,0]=4 1761 B11R0.4 CCOC(=O)CCCCCS[13CH3] 62a_100000755133_200025704644 [0,1,0,0,0,0|3,0,0]=4 1762 B11R0.4 CCOC(=O)CCCCCS[13CH3] 62a_200025704644_100000755133 [0,1,0,0,0,0|3,0,0]=4 1763 B11R0.4 CCOC(=O)CCCCSCC 62a_100000210202_100000750268 [0,1,0,0,0,0|3,0,0]=4 1764 B11R0.4 CCOC(=O)CCCCSCC 62a_100000750268_100000210202 [0,1,0,0,0,0|3,0,0]=4 1765 B11R0.4 CCOCCCCC(=O)OCC 34a_100121572206_100000750268 [0,1,0,0,0,0|3,0,0]=4 1766 B11R0.4 CCOCCCNC(=O)CCO 240690a_100000210961_100011216618 [0,1,0,0,0,0|3,0,0]=4 1767 B11R0.4 CCOCCCNC(=O)COC 11a_100000210961_100000210968 [0,1,0,0,0,0|3,0,0]=4 1768 B11R0.4 CCOCCCNC(=O)COC 1626a_100000210961_100000210968 [0,1,0,0,0,0|3,0,0]=4 1769 B11R0.4 CCOCCCNC(=O)COC 240690a_100000210961_100000210968 [0,1,0,0,0,0|3,0,0]=4 1770 B11R0.4 CCOCCCNC(=O)COC 527a_100000210961_100000210968 [0,1,0,0,0,0|3,0,0]=4 1771 B11R0.4 CCOCCCNC(=O)NNC 273464a_100000210961_100016993582 [0,1,0,0,0,0|3,0,0]=4 1772 B11R0.4 CCOCCCNC(=O)NNC 512a_100000210961_100016993582 [0,1,0,0,0,0|3,0,0]=4 1773 B11R0.4 CCOCCCNC(=O)NNC 512a_100016993582_100000210961 [0,1,0,0,0,0|3,0,0]=4 1774 B11R0.4 CCOCCNCC(=O)NCO 2230a_102516460346_100000185155 [0,1,0,0,0,0|2,0,0]=3 1775 B11R0.4 CCOCCNCC(=O)NCO 34a_102516460346_100000185155 [0,1,0,0,0,0|2,0,0]=3 1776 B11R0.4 CCOCCOCC(=O)NCO 34a_100000210136_100000185155 [0,1,0,0,0,0|2,0,0]=3 1777 B11R0.4 CCOCCOCC(=O)NCO 7a_100000210136_100000185155 [0,1,0,0,0,0|2,0,0]=3 1778 B11R0.4 CCOCCSCC(=O)NCO 62a_100000185155_100011215890 [0,1,0,0,0,0|2,0,0]=3 1779 B11R0.4 CCOCCSCC(=O)NCO 62a_100000210147_100000185155 [0,1,0,0,0,0|2,0,0]=3 1780 B11R0.4 CCSCCNCC(=O)NCO 2230a_100000106463_100000185155 [0,1,0,0,0,0|2,0,0]=3 1781 B11R0.4 CCSCCOCC(=O)NCO 34a_100000212035_100000185155 [0,1,0,0,0,0|2,0,0]=3 1782 B11R0.4 CCSCCOCC(=O)NCO 7a_100000212035_100000185155 [0,1,0,0,0,0|2,0,0]=3 1783 B11R0.4 CCSCCSCC(=O)NCO 62a_100000185155_100000757381 [0,1,0,0,0,0|2,0,0]=3 1784 B11R0.4 CCSCCSCC(=O)NCO 62a_100000757381_100000185155 [0,1,0,0,0,0|2,0,0]=3 1785 B11R0.4 CNCCCOCC(=O)NCO 34a_100000213112_100000185155 [0,1,0,0,0,0|2,0,0]=3 1786 B11R0.4 CNNC(=O)CCCCCOC 22a_100016993582_100011935119 [0,1,0,0,0,0|2,0,0]=3 1787 B11R0.4 CNNC(=O)CCOCCOC 22a_100016993582_100000745395 [0,1,0,0,0,0|3,0,0]=4 1788 B11R0.4 CNNC(=O)NCCCCCO 273464a_100000762737_100016993582 [0,1,0,0,0,0|3,0,0]=4 1789 B11R0.4 CNNC(=O)NCCCCCO 512a_100000762737_100016993582 [0,1,0,0,0,0|3,0,0]=4 1790 B11R0.4 CNNC(=O)NCCCCCO 512a_100016993582_100000762737 [0,1,0,0,0,0|3,0,0]=4 1791 B11R0.4 COCC(=O)CCCCCC#N 1458a_100000210968_100009813376 [0,1,0,0,0,0|2,0,1]=4 1792 B11R0.4 COCC(=O)CCCCCCF 1458a_100000210968_100015922095 [0,1,0,0,0,0|2,0,0]=3 1793 B11R0.4 COCC(=O)CCCCCCO 1458a_100000210968_100000766143 [0,1,0,0,0,0|2,0,0]=3 1794 B11R0.4 COCC(=O)NCCCCCO 240690a_100000762737_100000210968 [0,1,0,0,0,0|3,0,0]=4 1795 B11R0.4 COCCCCCC(=O)CC#N 1458a_100011935119_100011214920 [0,1,0,0,0,0|3,0,0]=4 1796 B11R0.4 COCCCCCC(=O)CCF 1458a_100011935119_100011217306 [0,1,0,0,0,0|3,0,0]=4 1797 B11R0.4 COCCCCCC(=O)CCO 1458a_100011935119_100000211926 [0,1,0,0,0,0|2,0,0]=3 1798 B11R0.4 COCCCNCC(=O)NCO 34a_100150723488_100000185155 [0,1,0,0,0,0|2,0,0]=3 1799 B11R0.4 COCCCOCC(=O)NCO 34a_100000740835_100000185155 [0,1,0,0,0,0|2,0,0]=3 1800 B11R0.4 COCCCSCC(=O)NCO 62a_100000185155_100000709357 [0,1,0,0,0,0|2,0,0]=3 1801 B11R0.4 COCCCSCC(=O)NCO 62a_100000709357_100000185155 [0,1,0,0,0,0|2,0,0]=3 1802 B11R0.4 COCCOCCC(=O)CCO 1458a_100000745395_100000211926 [0,1,0,0,0,0|3,0,0]=4 1803 B11R0.4 COCCOCCC(=O)CCO 1458a_100011216618_100000695917 [0,1,0,0,0,0|3,0,0]=4 1804 B11R0.4 COCCOCCC(=O)COC 1458a_100000210968_100000695917 [0,1,0,0,0,0|3,0,0]=4 1805 B11R0.4 CSCC(=O)CCCCCCF 1458a_100000184570_100015922095 [0,1,0,0,0,0|2,1,0]=4 1806 B11R0.4 CSCC(=O)CCCCCCO 1458a_100000184570_100000766143 [0,1,0,0,0,0|2,1,0]=4 1807 B11R0.4 CSCCCNCC(=O)NCO 2230a_100000749238_100000185155 [0,1,0,0,0,0|2,0,0]=3 1808 B11R0.4 CSCCCOCC(=O)NCO 34a_100000690336_100000185155 [0,1,0,0,0,0|2,0,0]=3 1809 B11R0.4 CSCCCOCC(=O)NCO 7a_100000690336_100000185155 [0,1,0,0,0,0|2,0,0]=3 1810 B11R0.4 N#CCC(=O)CCCCCCF 1458a_100051588842_100015922095 [0,1,0,0,0,0|3,0,0]=4 1811 B11R0.4 N#CCC(=O)CCCCCCO 1458a_100011996774_100011214920 [0,1,0,0,0,0|3,0,0]=4 1812 B11R0.4 N#CCC(=O)CCCCCCO 1458a_100051588842_100000766143 [0,1,0,0,0,0|3,0,0]=4 1813 B11R0.4 N#CCCCCCC(=O)CCO 1458a_100011216618_100009813376 [0,1,0,0,0,0|2,0,1]=4 1814 B11R0.4 N#CCCCSCC(=O)NCO 62a_100000185155_100000687738 [0,1,0,0,0,0|2,0,1]=4 1815 B11R0.4 N#CCCCSCC(=O)NCO 62a_100000687738_100000185155 [0,1,0,0,0,0|2,0,1]=4 1816 B11R0.4 NCCCCOCC(=O)NCO 34a_100000750430_100000185155 [0,1,0,0,0,0|2,0,0]=3 1817 B11R0.4 O=C(C=CBr)CCCCCCF 1458a_100016273825_100015922095 [0,1,0,0,0,0|3,0,0]=4 1818 B11R0.4 O=C(C=CBr)CCCCCCO 1458a_100016273825_100000766143 [0,1,0,0,0,0|3,0,0]=4 1819 B11R0.4 O=C(C=CCl)CCCCCCF 1458a_200016279998_100015922095 [0,1,0,0,0,0|3,0,0]=4 1820 B11R0.4 O=C(C=CCl)CCCCCCO 1458a_200016279998_100000766143 [0,1,0,0,0,0|3,0,0]=4 1821 B11R0.4 O=C(C=CI)CCCCCCF 1458a_100016256311_100015922095 [0,1,0,0,0,0|3,0,0]=4 1822 B11R0.4 O=C(C=CI)CCCCCCO 1458a_100016256311_100000766143 [0,1,0,0,0,0|3,0,0]=4 1823 B11R0.4 O=C(CCF)CCCCCCO 1458a_100011996774_100011217306 [0,1,0,0,0,0|3,0,0]=4 1824 B11R0.4 O=C(CCO)CCCCCCF 1458a_100011216618_100015922095 [0,1,0,0,0,0|2,0,0]=3 1825 B11R0.4 O=C(CCO)CCCCCCO 1458a_100011216618_100000766143 [0,1,0,0,0,0|2,0,0]=3 1826 B11R0.4 O=C(CCO)CCCCCCO 1458a_100011996774_100000211926 [0,1,0,0,0,0|2,0,0]=3 1827 B11R0.4 O=C(CCO)NCCCCCO 240690a_100000762737_100011216618 [0,1,0,0,0,0|3,0,0]=4 1828 B11R0.4 O=C(CNCCCCO)NCO 2230a_100000750430_100000185155 [0,1,0,0,0,0|2,0,0]=3 1829 B11R0.4 O=C(CNCCCCO)NCO 34a_100000750430_100000185155 [0,1,0,0,0,0|2,0,0]=3 1830 B11R0.4 O=C(COCCCCBr)NCO 34a_100011216708_100000185155 [0,1,0,0,0,0|2,0,0]=3 1831 B11R0.4 O=C(COCCCCCl)NCO 34a_100000210776_100000185155 [0,1,0,0,0,0|2,0,0]=3 1832 B11R0.4 O=C(COCCCCCl)NCO 7a_100000210776_100000185155 [0,1,0,0,0,0|2,0,0]=3 1833 B11R0.4 O=C(COCCCCF)NCO 34a_100011995726_100000185155 [0,1,0,0,0,0|2,0,0]=3 1834 B11R0.4 O=C(COCCCCF)NCO 7a_100011995726_100000185155 [0,1,0,0,0,0|2,0,0]=3 1835 B11R0.4 O=C(COCCCCI)NCO 34a_200012148704_100000185155 [0,1,0,0,0,0|2,0,0]=3 1836 B11R0.4 O=C(CSCCCCF)NCO 62a_100000185155_100000729493 [0,1,0,0,0,0|2,0,0]=3 1837 B11R0.4 O=C(CSCCCCF)NCO 62a_100000729493_100000185155 [0,1,0,0,0,0|2,0,0]=3 1838 B11R0.4 O=C(CSCCCCO)NCO 62a_100000185155_100000210776 [0,1,0,0,0,0|2,0,0]=3 1839 B11R0.4 O=C(CSCCCCO)NCO 62a_100000210776_100000185155 [0,1,0,0,0,0|2,0,0]=3 1840 B11R0.4 O=CCCCSCC(=O)NCO 62a_100000185155_200011292268 [0,1,0,0,0,0|2,0,1]=4 1841 B11R0.4 O=CCCCSCC(=O)NCO 62a_200011292268_100000185155 [0,1,0,0,0,0|2,0,1]=4 1842 B11R0.40 C#CC(=O)CC#CCCCCC 1458a_100000211873_100009816472 [0,1,0,0,0,0|2,0,1]=4 1843 B11R0.40 C#CC(=O)CCCCCCC#N 1458a_100000211873_100009813337 [0,1,0,0,0,0|2,0,1]=4 1844 B11R0.40 C#CC(=O)CCCCCCC=C 1458a_100000211873_100011215473 [0,1,0,0,0,0|2,0,1]=4 1845 B11R0.40 C#CC(=O)CCCCCCCC 1458a_100000211873_100000210759 [0,1,0,0,0,0|2,0,0]=3 1846 B11R0.40 C#CC(=O)CCCCCCCO 1458a_100000211873_100000760002 [0,1,0,0,0,0|2,0,0]=3 1847 B11R0.40 C#CC(=O)CCCCCCOC 1458a_100000211873_100011998445 [0,1,0,0,0,0|2,0,0]=3 1848 B11R0.40 C#CC(=O)CCCOCCOC 1458a_100000211873_100011216529 [0,1,0,0,0,0|3,0,0]=4 1849 B11R0.40 C#CC(=O)CCOCCOCC 1458a_100000211873_100011211534 [0,1,0,0,0,0|3,0,0]=4 1850 B11R0.40 C#CCCCCCCC(=O)C#C 1458a_100000211873_100012276617 [0,1,0,0,0,0|2,0,1]=4 1851 B11R0.40 C#CCCCCCCC(=O)C=C 1458a_100000185746_100012276617 [0,1,0,0,0,0|2,0,1]=4 1852 B11R0.40 C#CCCCCCCC(=O)CC 1458a_100000034748_100000210202 [0,1,0,0,0,0|2,0,1]=4 1853 B11R0.40 C#CCCCCCCC(=O)CC 1458a_100000210414_100012276617 [0,1,0,0,0,0|2,0,1]=4 1854 B11R0.40 C#CCCCCCCC(=O)CF 1458a_100000034748_100015361967 [0,1,0,0,0,0|2,0,1]=4 1855 B11R0.40 C#CCCCCCCC(=O)CO 1458a_100000210174_100012276617 [0,1,0,0,0,0|1,0,1]=3 1856 B11R0.40 C#CCCCCCCC(=O)NC 11a_106832991635_100000034748 [0,1,0,0,0,0|1,0,1]=3 1857 B11R0.40 C#CCCCCCCC(=O)NC 1626a_100102657272_100000034748 [0,1,0,0,0,0|1,0,1]=3 1858 B11R0.40 C#CCCCCCCC(=O)NC 240690a_100102657272_100000034748 [0,1,0,0,0,0|1,0,1]=3 1859 B11R0.40 C#CCCCCCCC(=O)NC 527a_100102657272_100000034748 [0,1,0,0,0,0|1,0,1]=3 1860 B11R0.40 C#CCCCCNCC(=O)NC 2230a_100000693194_100010269958 [0,1,0,0,0,0|1,0,2]=4 1861 B11R0.40 C#CCCCCNCC(=O)NC 2230a_100000706060_100000183359 [0,1,0,0,0,0|1,0,2]=4 1862 B11R0.40 C#CCCCCNCC(=O)NC 34a_100000706060_100000183359 [0,1,0,0,0,0|1,0,2]=4 1863 B11R0.40 C#CCCCCOCC(=O)NC 34a_100000750040_100010269958 [0,1,0,0,0,0|1,0,2]=4 1864 B11R0.40 C#CCCCCOCC(=O)NC 34a_100000766709_100000183359 [0,1,0,0,0,0|1,0,2]=4 1865 B11R0.40 C#CCCCCOCC(=O)NC 7a_100000766709_100000183359 [0,1,0,0,0,0|1,0,2]=4 1866 B11R0.40 C#CCCCCSCC(=O)NC 62a_100000183359_100010269958 [0,1,0,0,0,0|1,0,2]=4 1867 B11R0.40 C#CCCCCSCC(=O)NC 62a_100010269958_100000183359 [0,1,0,0,0,0|1,0,2]=4 1868 B11R0.40 C#CCCCNCCC(=O)NC 2230a_100000738227_100000731252 [0,1,0,0,0,0|1,0,2]=4 1869 B11R0.40 C#CCCCNCCC(=O)NC 34a_100000718082_100012179268 [0,1,0,0,0,0|1,0,2]=4 1870 B11R0.40 C#CCCCNCCC(=O)NC 34a_100000738227_100000695029 [0,1,0,0,0,0|1,0,2]=4 1871 B11R0.40 C#CCCCOCCC(=O)NC 34a_100000215630_100012179268 [0,1,0,0,0,0|1,0,2]=4 1872 B11R0.40 C#CCCCOCCC(=O)NC 34a_100000754576_100000695029 [0,1,0,0,0,0|1,0,2]=4 1873 B11R0.40 C#CCCCOCCC(=O)NC 7a_100000215630_100000737683 [0,1,0,0,0,0|1,0,2]=4 1874 B11R0.40 C#CCCCSCCC(=O)NC 62a_100000737683_100011215417 [0,1,0,0,0,0|1,0,2]=4 1875 B11R0.40 C#CCCCSCCC(=O)NC 62a_100011215417_100000737683 [0,1,0,0,0,0|1,0,2]=4 1876 B11R0.40 C#CCCNCCCC(=O)NC 2230a_100000740002_100000688953 [0,1,0,0,0,0|1,0,2]=4 1877 B11R0.40 C#CCCNCCCC(=O)NC 34a_100000740002_100000688953 [0,1,0,0,0,0|1,0,2]=4 1878 B11R0.40 C#CCCNCCCC(=O)NC 34a_100000755551_100000741757 [0,1,0,0,0,0|1,0,2]=4 1879 B11R0.40 C#CCCOCCCC(=O)NC 34a_100011215631_100000741757 [0,1,0,0,0,0|1,0,2]=4 1880 B11R0.40 C#CCCOCCCC(=O)NN 34a_100000211488_100000688953 [0,1,0,0,0,0|1,0,2]=4 1881 B11R0.40 C#CCCSCCCC(=O)NC 62a_100000688953_100000741757 [0,1,0,0,0,0|1,0,2]=4 1882 B11R0.40 C#CCCSCCCC(=O)NC 62a_100000741757_100000688953 [0,1,0,0,0,0|1,0,2]=4 1883 B11R0.40 C/C=C/CCOCCC(=O)NC 34a_100016278192_100012179268 [0,1,0,0,0,0|1,0,2]=4 1884 B11R0.40 C/C=C/CNCCCC(=O)NC 34a_100000740002_100102629194 [0,1,0,0,0,0|1,0,2]=4 1885 B11R0.40 C/C=C/COCCCC(=O)NC 34a_100016270725_100000741757 [0,1,0,0,0,0|1,0,2]=4 1886 B11R0.40 C/C=C/COCCCC(=O)NN 34a_100000211488_100102629194 [0,1,0,0,0,0|1,0,2]=4 1887 B11R0.40 C/C=C/CSCCCC(=O)NC 62a_100000741757_100102629194 [0,1,0,0,0,0|1,0,2]=4 1888 B11R0.40 C/C=C/CSCCCC(=O)NC 62a_100102629194_100000741757 [0,1,0,0,0,0|1,0,2]=4 1889 B11R0.40 C=C(C#N)CNCCCCCC 2230a_100000210581_100000694840 [0,1,0,0,0,0|3,0,0]=4 1890 B11R0.40 C=C(C#N)COCCCCCC 34a_100000210259_100000694840 [0,1,0,0,0,0|3,0,0]=4 1891 B11R0.40 C=C(C#N)CSCCCCCC 62a_100000210314_100000694840 [0,1,0,0,0,0|3,0,0]=4 1892 B11R0.40 C=CC(=O)CC#CCCCCC 1458a_100000185746_100009816472 [0,1,0,0,0,0|2,0,1]=4 1893 B11R0.40 C=CC(=O)CCCCCCC#N 1458a_100000185746_100009813337 [0,1,0,0,0,0|2,0,1]=4 1894 B11R0.40 C=CC(=O)CCCCCCCC 1458a_100000185746_100000210759 [0,1,0,0,0,0|2,0,0]=3 1895 B11R0.40 C=CC(=O)CCCCCCCO 1458a_100000185746_100000760002 [0,1,0,0,0,0|2,0,0]=3 1896 B11R0.40 C=CC(=O)CCCCCCOC 1458a_100000185746_100011998445 [0,1,0,0,0,0|2,0,0]=3 1897 B11R0.40 C=CC(=O)CCCOCCOC 1458a_100000185746_100011216529 [0,1,0,0,0,0|3,0,0]=4 1898 B11R0.40 C=CC(=O)CCOCCOCC 1458a_100000185746_100011211534 [0,1,0,0,0,0|3,0,0]=4 1899 B11R0.40 C=CC(=O)NCCCCCCC 1626a_100000229938_100000185746 [0,1,0,0,0,0|2,0,0]=3 1900 B11R0.40 C=CC(=O)NCCCCCCC 240690a_100000229938_200121576911 [0,1,0,0,0,0|2,0,0]=3 1901 B11R0.40 C=CC(=O)NCCCCCCO 240690a_100000686447_200121576911 [0,1,0,0,0,0|3,0,0]=4 1902 B11R0.40 C=CC(=O)NCCCCCOC 1626a_100000747528_100000185746 [0,1,0,0,0,0|3,0,0]=4 1903 B11R0.40 C=CC(=O)NCCCCCOC 240690a_100000747528_200121576911 [0,1,0,0,0,0|3,0,0]=4 1904 B11R0.40 C=CC(=O)NCCCCOCC 34a_100014118770_100000210202 [0,1,0,0,0,0|3,0,0]=4 1905 B11R0.40 C=CC(=O)NCCCOCCC 1626a_100011217757_100000185746 [0,1,0,0,0,0|3,0,0]=4 1906 B11R0.40 C=CC(=O)NCCCOCCC 240690a_100011217757_200121576911 [0,1,0,0,0,0|3,0,0]=4 1907 B11R0.40 C=CC(=O)NCCNCCCC 2230a_114873766552_100000210211 [0,1,0,0,0,0|3,0,0]=4 1908 B11R0.40 C=CC(=O)NCCOCCCC 34a_100011304386_100000210210 [0,1,0,0,0,0|3,0,0]=4 1909 B11R0.40 C=CC(=O)NCCSCCCC 1626a_100025743550_100000185746 [0,1,0,0,0,0|3,0,0]=4 1910 B11R0.40 C=CC(=O)NCCSCCCC 240690a_100025743550_200121576911 [0,1,0,0,0,0|3,0,0]=4 1911 B11R0.40 C=CC(=O)OCCCCCOC 7a_200011023508_200000210301 [0,1,0,0,0,0|3,0,0]=4 1912 B11R0.40 C=CC(=O)OCCCCCO[13CH3] 7a_200011023508_200025704644 [0,1,0,0,0,0|3,0,0]=4 1913 B11R0.40 C=CC(=O)OCCNCCCC 2230a_100000102301_100009813456 [0,1,0,0,0,0|3,0,0]=4 1914 B11R0.40 C=CC(=O)OCCNCCCC 7a_106832991798_100009813456 [0,1,0,0,0,0|3,0,0]=4 1915 B11R0.40 C=CC(=O)OCCOCCCC 34a_100000210227_100009813456 [0,1,0,0,0,0|3,0,0]=4 1916 B11R0.40 C=CC(=O)OCCOCCCC 7a_100000210227_100009813456 [0,1,0,0,0,0|3,0,0]=4 1917 B11R0.40 C=CC(=O)OCCSCCCC 62a_100000210211_100009813456 [0,1,0,0,0,0|3,0,0]=4 1918 B11R0.40 C=CC(=O)OCCSCCCC 62a_100009813456_100000210210 [0,1,0,0,0,0|3,0,0]=4 1919 B11R0.40 C=CCCCCCCC(=O)C=C 1458a_100000185746_100011215473 [0,1,0,0,0,0|2,0,1]=4 1920 B11R0.40 C=CCCCCCCC(=O)CC 1458a_100000210414_100011215473 [0,1,0,0,0,0|2,0,1]=4 1921 B11R0.40 C=CCCCCCCC(=O)CC 1458a_100011809334_100000210202 [0,1,0,0,0,0|2,0,1]=4 1922 B11R0.40 C=CCCCCCCC(=O)CF 1458a_100011809334_100015361967 [0,1,0,0,0,0|2,0,1]=4 1923 B11R0.40 C=CCCCCCCC(=O)CO 1458a_100000210174_100011215473 [0,1,0,0,0,0|1,0,1]=3 1924 B11R0.40 C=CCCCCCCC(=O)NC 11a_106832991635_100011809334 [0,1,0,0,0,0|1,0,1]=3 1925 B11R0.40 C=CCCCCCCC(=O)NC 1626a_100102657272_100011809334 [0,1,0,0,0,0|1,0,1]=3 1926 B11R0.40 C=CCCCCCCC(=O)NC 240690a_100102657272_100011809334 [0,1,0,0,0,0|1,0,1]=3 1927 B11R0.40 C=CCCCCCCC(=O)NC 527a_100102657272_100011809334 [0,1,0,0,0,0|1,0,1]=3 1928 B11R0.40 C=CCCCCNCC(=O)NC 2230a_100000693194_100011215482 [0,1,0,0,0,0|1,0,2]=4 1929 B11R0.40 C=CCCCCNCC(=O)NC 2230a_100000703577_100000183359 [0,1,0,0,0,0|1,0,2]=4 1930 B11R0.40 C=CCCCCNCC(=O)NC 34a_100000703577_100000183359 [0,1,0,0,0,0|1,0,2]=4 1931 B11R0.40 C=CCCCCOCC(=O)NC 34a_100000750040_100011215482 [0,1,0,0,0,0|1,0,2]=4 1932 B11R0.40 C=CCCCCOCC(=O)NC 34a_100000766645_100000183359 [0,1,0,0,0,0|1,0,2]=4 1933 B11R0.40 C=CCCCCOCC(=O)NC 7a_100000766645_100000183359 [0,1,0,0,0,0|1,0,2]=4 1934 B11R0.40 C=CCCCCSCC(=O)NC 62a_100000183359_100011215482 [0,1,0,0,0,0|1,0,2]=4 1935 B11R0.40 C=CCCCCSCC(=O)NC 62a_100011215482_100000183359 [0,1,0,0,0,0|1,0,2]=4 1936 B11R0.40 C=CCCCNCCC(=O)NC 2230a_100000700776_100000737683 [0,1,0,0,0,0|1,0,2]=4 1937 B11R0.40 C=CCCCNCCC(=O)NC 2230a_100000738227_100011713584 [0,1,0,0,0,0|1,0,2]=4 1938 B11R0.40 C=CCCCNCCC(=O)NC 34a_100000700776_100012179268 [0,1,0,0,0,0|1,0,2]=4 1939 B11R0.40 C=CCCCNCCC(=O)NC 34a_100000738227_100000757094 [0,1,0,0,0,0|1,0,2]=4 1940 B11R0.40 C=CCCCOCCC(=O)NC 34a_100000754576_100000757094 [0,1,0,0,0,0|1,0,2]=4 1941 B11R0.40 C=CCCCOCCC(=O)NC 34a_100000758997_100012179268 [0,1,0,0,0,0|1,0,2]=4 1942 B11R0.40 C=CCCCOCCC(=O)NC 7a_100000758997_100000737683 [0,1,0,0,0,0|1,0,2]=4 1943 B11R0.40 C=CCCCSCCC(=O)NC 62a_100000737683_100000757094 [0,1,0,0,0,0|1,0,2]=4 1944 B11R0.40 C=CCCCSCCC(=O)NC 62a_100011713584_100000737683 [0,1,0,0,0,0|1,0,2]=4 1945 B11R0.40 C=CCCNCCCC(=O)NC 2230a_100000740002_100000754431 [0,1,0,0,0,0|1,0,2]=4 1946 B11R0.40 C=CCCNCCCC(=O)NC 2230a_100015191253_100000741757 [0,1,0,0,0,0|1,0,2]=4 1947 B11R0.40 C=CCCNCCCC(=O)NC 34a_100000740002_100000754431 [0,1,0,0,0,0|1,0,2]=4 1948 B11R0.40 C=CCCOCCCC(=O)NC 34a_100011205117_100000741757 [0,1,0,0,0,0|1,0,2]=4 1949 B11R0.40 C=CCCOCCCC(=O)NN 34a_100000211488_100000754431 [0,1,0,0,0,0|1,0,2]=4 1950 B11R0.40 C=CCCSCCCC(=O)NC 62a_100000741757_100000754431 [0,1,0,0,0,0|1,0,2]=4 1951 B11R0.40 C=CCCSCCCC(=O)NC 62a_100000754431_100000741757 [0,1,0,0,0,0|1,0,2]=4 1952 B11R0.40 CC#CCCOCCC(=O)NC 34a_100000750427_100012179268 [0,1,0,0,0,0|1,0,2]=4 1953 B11R0.40 CC#CCNCCCC(=O)NC 2230a_100000685387_100000741757 [0,1,0,0,0,0|1,0,2]=4 1954 B11R0.40 CC#CCNCCCC(=O)NC 2230a_100000740002_100000748600 [0,1,0,0,0,0|1,0,2]=4 1955 B11R0.40 CC#CCNCCCC(=O)NC 34a_100000685387_100000741757 [0,1,0,0,0,0|1,0,2]=4 1956 B11R0.40 CC#CCNCCCC(=O)NC 34a_100000740002_100000748600 [0,1,0,0,0,0|1,0,2]=4 1957 B11R0.40 CC#CCOCCCC(=O)NC 34a_100000761923_100000741757 [0,1,0,0,0,0|1,0,2]=4 1958 B11R0.40 CC#CCOCCCC(=O)NN 34a_100000211488_100000748600 [0,1,0,0,0,0|1,0,2]=4 1959 B11R0.40 CC#CCSCCCC(=O)NC 62a_100000741757_100000748600 [0,1,0,0,0,0|1,0,2]=4 1960 B11R0.40 CC#CCSCCCC(=O)NC 62a_100000748600_100000741757 [0,1,0,0,0,0|1,0,2]=4 1961 B11R0.40 CC/C=C\CCNCC(=O)NC 2230a_100000693194_100015370543 [0,1,0,0,0,0|1,0,2]=4 1962 B11R0.40 CC/C=C\CCOCC(=O)NC 34a_100000750040_100015370543 [0,1,0,0,0,0|1,0,2]=4 1963 B11R0.40 CC/C=C\CCOCC(=O)NC 34a_100016288707_100000183359 [0,1,0,0,0,0|1,0,2]=4 1964 B11R0.40 CC/C=C\CCOCC(=O)NC 7a_100016288707_100000183359 [0,1,0,0,0,0|1,0,2]=4 1965 B11R0.40 CC/C=C\CCSCC(=O)NC 62a_100000183359_100015370543 [0,1,0,0,0,0|1,0,2]=4 1966 B11R0.40 CC/C=C\CCSCC(=O)NC 62a_100015370543_100000183359 [0,1,0,0,0,0|1,0,2]=4 1967 B11R0.40 CC/C=C\CNCCC(=O)NC 2230a_100000738227_100103147603 [0,1,0,0,0,0|1,0,2]=4 1968 B11R0.40 CC/C=C\CNCCC(=O)NC 34a_100000738227_100103147603 [0,1,0,0,0,0|1,0,2]=4 1969 B11R0.40 CC/C=C\COCCC(=O)NC 34a_100000754576_100103147603 [0,1,0,0,0,0|1,0,2]=4 1970 B11R0.40 CC/C=C\COCCC(=O)NC 34a_100016268518_100012179268 [0,1,0,0,0,0|1,0,2]=4 1971 B11R0.40 CC/C=C\CSCCC(=O)NC 62a_100000737683_100103147603 [0,1,0,0,0,0|1,0,2]=4 1972 B11R0.40 CC/C=C\CSCCC(=O)NC 62a_100103147603_100000737683 [0,1,0,0,0,0|1,0,2]=4 1973 B11R0.40 CC=CCCCOCC(=O)NC 34a_100020645299_100000183359 [0,1,0,0,0,0|1,0,2]=4 1974 B11R0.40 CC=CCNCCCC(=O)NC 2230a_100000740002_100000070051 [0,1,0,0,0,0|1,0,2]=4 1975 B11R0.40 CC=CCNCCCC(=O)NC 34a_100000740002_100000070051 [0,1,0,0,0,0|1,0,2]=4 1976 B11R0.40 CC=CCOCCCC(=O)NN 34a_100000211488_100000070051 [0,1,0,0,0,0|1,0,2]=4 1977 B11R0.40 CC=CCSCCCC(=O)NC 62a_100000070051_100000741757 [0,1,0,0,0,0|1,0,2]=4 1978 B11R0.40 CC=CCSCCCC(=O)NC 62a_100000741757_100000070051 [0,1,0,0,0,0|1,0,2]=4 1979 B11R0.40 CCC#CCCOCC(=O)NC 34a_100000036655_100000183359 [0,1,0,0,0,0|1,0,2]=4 1980 B11R0.40 CCC#CCCOCC(=O)NC 7a_100000036655_100000183359 [0,1,0,0,0,0|1,0,2]=4 1981 B11R0.40 CCC#CCNCCC(=O)NC 2230a_100000738227_100009813939 [0,1,0,0,0,0|1,0,2]=4 1982 B11R0.40 CCC#CCNCCC(=O)NC 34a_100000738227_100009813939 [0,1,0,0,0,0|1,0,2]=4 1983 B11R0.40 CCC#CCOCCC(=O)NC 34a_100000032950_100012179268 [0,1,0,0,0,0|1,0,2]=4 1984 B11R0.40 CCC#CCOCCC(=O)NC 34a_100000754576_100009813939 [0,1,0,0,0,0|1,0,2]=4 1985 B11R0.40 CCC#CCSCCC(=O)NC 62a_100000737683_100009813939 [0,1,0,0,0,0|1,0,2]=4 1986 B11R0.40 CCC#CCSCCC(=O)NC 62a_100009813939_100000737683 [0,1,0,0,0,0|1,0,2]=4 1987 B11R0.40 CCC(=O)CCCCCCC#N 1458a_100000210414_100009813337 [0,1,0,0,0,0|2,0,1]=4 1988 B11R0.40 CCC(=O)CCCCCCCO 1458a_100000210414_100000760002 [0,1,0,0,0,0|2,0,0]=3 1989 B11R0.40 CCC(=O)CCCCCCCO 1458a_100011219782_100000210202 [0,1,0,0,0,0|2,0,0]=3 1990 B11R0.40 CCC(=O)CCCCCCOC 1458a_100000210414_100011998445 [0,1,0,0,0,0|2,0,0]=3 1991 B11R0.40 CCC(=O)CCCOCCOC 1458a_100000210414_100011216529 [0,1,0,0,0,0|3,0,0]=4 1992 B11R0.40 CCC(=O)COCCCCCBr 7a_100000746331_100000747405 [0,1,0,0,0,0|3,0,0]=4 1993 B11R0.40 CCC(=O)COCCCCCCl 7a_100000746330_100000747405 [0,1,0,0,0,0|3,0,0]=4 1994 B11R0.40 CCC(=O)COCCCCCF 34a_100000725409_100000729378 [0,1,0,0,0,0|3,0,0]=4 1995 B11R0.40 CCC(=O)COCCCCCI 7a_200012148887_100000747405 [0,1,0,0,0,0|3,0,0]=4 1996 B11R0.40 CCC(=O)COCCCCCO 34a_100000725409_100000746330 [0,1,0,0,0,0|3,0,0]=4 1997 B11R0.40 CCC(=O)COCCCCOC 34a_100000725409_100000755781 [0,1,0,0,0,0|3,0,0]=4 1998 B11R0.40 CCC(=O)COCCCCSC 7a_100011217163_100000747405 [0,1,0,0,0,0|3,0,0]=4 1999 B11R0.40 CCC(=O)CSCCCCCF 62a_100000729378_100000747405 [0,1,0,0,0,0|3,0,0]=4 2000 B11R0.40 CCC(=O)CSCCCCCF 62a_100000747405_100000729378 [0,1,0,0,0,0|3,0,0]=4 2001 B11R0.40 CCC(=O)CSCCCCCO 62a_100000746330_100000747405 [0,1,0,0,0,0|3,0,0]=4 2002 B11R0.40 CCC(=O)CSCCCCCO 62a_100000747405_100000746330 [0,1,0,0,0,0|3,0,0]=4 2003 B11R0.40 CCC(=O)CSCCCCOC 62a_100000730899_100000747405 [0,1,0,0,0,0|3,0,0]=4 2004 B11R0.40 CCC(=O)CSCCCCOC 62a_100000747405_100000730899 [0,1,0,0,0,0|3,0,0]=4 2005 B11R0.40 CCC(=O)NCCCCCCO 240690a_100000686447_100000210414 [0,1,0,0,0,0|3,0,0]=4 2006 B11R0.40 CCC(=O)NCCCCCCO 527a_100000686447_100000210414 [0,1,0,0,0,0|3,0,0]=4 2007 B11R0.40 CCC(=O)NCCCCCOC 11a_100000747528_100000210414 [0,1,0,0,0,0|3,0,0]=4 2008 B11R0.40 CCC(=O)NCCCCCOC 1626a_100000747528_100000210414 [0,1,0,0,0,0|3,0,0]=4 2009 B11R0.40 CCC(=O)NCCCCCOC 240690a_100000747528_100000210414 [0,1,0,0,0,0|3,0,0]=4 2010 B11R0.40 CCC(=O)NCCCCCOC 527a_100000747528_100000210414 [0,1,0,0,0,0|3,0,0]=4 2011 B11R0.40 CCC/C=C/COCC(=O)NC 34a_100016278788_100000183359 [0,1,0,0,0,0|1,0,2]=4 2012 B11R0.40 CCC/C=C/COCC(=O)NC 7a_100016278788_100000183359 [0,1,0,0,0,0|1,0,2]=4 2013 B11R0.40 CCCC#CCOCC(=O)NC 34a_100000034806_100000183359 [0,1,0,0,0,0|1,0,2]=4 2014 B11R0.40 CCCC#CCOCC(=O)NC 7a_100000034806_100000183359 [0,1,0,0,0,0|1,0,2]=4 2015 B11R0.40 CCCCC/C=C/CC(=O)CC 1458a_100020675968_100000210202 [0,1,0,0,0,0|2,0,1]=4 2016 B11R0.40 CCCCC/C=C/CC(=O)CF 1458a_100020675968_100015361967 [0,1,0,0,0,0|2,0,1]=4 2017 B11R0.40 CCCCC/C=C/CC(=O)NC 11a_106832991635_100020675968 [0,1,0,0,0,0|1,0,1]=3 2018 B11R0.40 CCCCC/C=C/CC(=O)NC 1626a_100102657272_100020675968 [0,1,0,0,0,0|1,0,1]=3 2019 B11R0.40 CCCCC/C=C/CC(=O)NC 240690a_100102657272_100020675968 [0,1,0,0,0,0|1,0,1]=3 2020 B11R0.40 CCCCCC#CCC(=O)CC 1458a_100000210414_100009816472 [0,1,0,0,0,0|2,0,1]=4 2021 B11R0.40 CCCCCC#CCC(=O)CO 1458a_100000210174_100009816472 [0,1,0,0,0,0|1,0,1]=3 2022 B11R0.40 CCCCCCC=CC(=O)CC 1458a_200015324643_100000210202 [0,1,0,0,0,0|2,0,1]=4 2023 B11R0.40 CCCCCCC=CC(=O)CF 1458a_200015324643_100015361967 [0,1,0,0,0,0|2,0,1]=4 2024 B11R0.40 CCCCCCC=CC(=O)NC 11a_106832991635_200015324643 [0,1,0,0,0,0|1,0,1]=3 2025 B11R0.40 CCCCCCC=CC(=O)NC 1626a_100102657272_200015324643 [0,1,0,0,0,0|1,0,1]=3 2026 B11R0.40 CCCCCCC=CC(=O)NC 240690a_100102657272_200015324643 [0,1,0,0,0,0|1,0,1]=3 2027 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210188_100000210202 [0,1,0,0,0,0|2,0,0]=3 2028 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210414_100000210759 [0,1,0,0,0,0|2,0,0]=3 2029 B11R0.40 CCCCCCCCC(=O)CF 1458a_100000210188_100015361967 [0,1,0,0,0,0|2,0,0]=3 2030 B11R0.40 CCCCCCCCC(=O)CO 1458a_100000210174_100000210759 [0,1,0,0,0,0|1,0,0]=2 2031 B11R0.40 CCCCCCCCC(=O)NC 11a_106832991635_100000210188 [0,1,0,0,0,0|1,0,0]=2 2032 B11R0.40 CCCCCCCCC(=O)NC 1626a_100102657272_100000210188 [0,1,0,0,0,0|1,0,0]=2 2033 B11R0.40 CCCCCCCCC(=O)NC 240690a_100102657272_100000210188 [0,1,0,0,0,0|1,0,0]=2 2034 B11R0.40 CCCCCCCCC(=O)NC 527a_100102657272_100000210188 [0,1,0,0,0,0|1,0,0]=2 2035 B11R0.40 CCCCCCCCC(C)NC 270004a_106832991635_100011216694 [0,1,0,0,0,0|2,0,1]=4 2036 B11R0.40 CCCCCCCNC(=O)CC 11a_100000229938_100000210414 [0,1,0,0,0,0|2,0,0]=3 2037 B11R0.40 CCCCCCCNC(=O)CC 1626a_100000229938_100000210414 [0,1,0,0,0,0|2,0,0]=3 2038 B11R0.40 CCCCCCCNC(=O)CC 240690a_100000229938_100000210414 [0,1,0,0,0,0|2,0,0]=3 2039 B11R0.40 CCCCCCCNC(=O)CC 527a_100000229938_100000210414 [0,1,0,0,0,0|2,0,0]=3 2040 B11R0.40 CCCCCCCNC(=O)CO 240690a_100000229938_100000210174 [0,1,0,0,0,0|1,0,0]=2 2041 B11R0.40 CCCCCCCNC(=O)CO 527a_100000229938_100000210174 [0,1,0,0,0,0|1,0,0]=2 2042 B11R0.40 CCCCCCCNC(=O)NC 2708a_100000229938_106832991635 [0,1,0,0,0,0|1,0,0]=2 2043 B11R0.40 CCCCCCCNC(=O)NC 2708a_100102657272_100000229938 [0,1,0,0,0,0|1,0,0]=2 2044 B11R0.40 CCCCCCCNC(=O)NC 273464a_100000229938_100102657272 [0,1,0,0,0,0|1,0,0]=2 2045 B11R0.40 CCCCCCCNC(=O)NC 273464a_100102657272_100000229938 [0,1,0,0,0,0|1,0,0]=2 2046 B11R0.40 CCCCCCCNC(=O)NC 512a_100000229938_100102657272 [0,1,0,0,0,0|1,0,0]=2 2047 B11R0.40 CCCCCCCNC(=O)NC 512a_106832991638_100000229938 [0,1,0,0,0,0|1,0,0]=2 2048 B11R0.40 CCCCCCCNC(C)CO 2230a_100000229938_100012180447 [0,1,0,0,0,0|2,0,1]=4 2049 B11R0.40 CCCCCCCN[C@H](C)CO 2230a_100000737577_100000210681 [0,1,0,0,0,0|2,0,1]=4 2050 B11R0.40 CCCCCCCOC(C)CO 34a_100000210272_100012180447 [0,1,0,0,0,0|2,0,1]=4 2051 B11R0.40 CCCCCCCOC(C)CO 7a_100000210272_100012180447 [0,1,0,0,0,0|2,0,1]=4 2052 B11R0.40 CCCCCCCSC(C)CO 62a_100012180447_100000210316 [0,1,0,0,0,0|2,0,1]=4 2053 B11R0.40 CCCCCCCS[C@H](C)CO 62a_100000210614_100016084084 [0,1,0,0,0,0|2,0,1]=4 2054 B11R0.40 CCCCCCCS[C@H](C)CO 62a_100016084084_100000210316 [0,1,0,0,0,0|2,0,1]=4 2055 B11R0.40 CCCCCCNCC(=O)NC 2230a_100000210581_100000183359 [0,1,0,0,0,0|1,0,0]=2 2056 B11R0.40 CCCCCCNCC(=O)NC 2230a_100000693194_100000210314 [0,1,0,0,0,0|1,0,0]=2 2057 B11R0.40 CCCCCCNCC(=O)OC 2230a_100000210581_100000747449 [0,1,0,0,0,0|2,0,0]=3 2058 B11R0.40 CCCCCCNCC(C)CO 34a_100000744482_100000210314 [0,1,0,0,0,0|2,0,1]=4 2059 B11R0.40 CCCCCCNCC(O)CO 2230a_100000210581_100011219619 [0,1,0,0,0,0|1,0,2]=4 2060 B11R0.40 CCCCCCNC[C@@H](C)CO 2230a_100000210581_100000059175 [0,1,0,0,0,0|2,0,1]=4 2061 B11R0.40 CCCCCCNC[C@@H](F)CO 34a_100015665980_100000210314 [0,1,0,0,0,0|2,0,1]=4 2062 B11R0.40 CCCCCCNC[C@@H](O)CO 2230a_100000210581_100009815848 [0,1,0,0,0,0|1,0,2]=4 2063 B11R0.40 CCCCCCNC[C@H](O)CO 2230a_100020644852_100000210314 [0,1,0,0,0,0|1,0,2]=4 2064 B11R0.40 CCCCCCOCC(=O)CC 34a_100000725409_100000210314 [0,1,0,0,0,0|2,0,0]=3 2065 B11R0.40 CCCCCCOCC(=O)CC 7a_100000210259_100000747405 [0,1,0,0,0,0|2,0,0]=3 2066 B11R0.40 CCCCCCOCC(=O)NC 34a_100000210259_100000183359 [0,1,0,0,0,0|1,0,0]=2 2067 B11R0.40 CCCCCCOCC(=O)NC 34a_100000750040_100000210314 [0,1,0,0,0,0|1,0,0]=2 2068 B11R0.40 CCCCCCOCC(=O)NC 7a_100000210259_100000183359 [0,1,0,0,0,0|1,0,0]=2 2069 B11R0.40 CCCCCCOCC(=O)OC 34a_100000210259_100000747449 [0,1,0,0,0,0|2,0,0]=3 2070 B11R0.40 CCCCCCOCC(=O)OC 7a_100000210259_100000747449 [0,1,0,0,0,0|2,0,0]=3 2071 B11R0.40 CCCCCCOCC(O)CO 34a_100000210259_100011219619 [0,1,0,0,0,0|1,0,2]=4 2072 B11R0.40 CCCCCCOCC(O)CO 7a_100000210259_100011219619 [0,1,0,0,0,0|1,0,2]=4 2073 B11R0.40 CCCCCCOC[C@@H](C)CO 34a_100000210259_100000059175 [0,1,0,0,0,0|2,0,1]=4 2074 B11R0.40 CCCCCCOC[C@@H](C)CO 7a_100000210259_100000059175 [0,1,0,0,0,0|2,0,1]=4 2075 B11R0.40 CCCCCCOC[C@@H](O)CO 34a_100000210259_100009815848 [0,1,0,0,0,0|1,0,2]=4 2076 B11R0.40 CCCCCCOC[C@@H](O)CO 7a_100000210259_100009815848 [0,1,0,0,0,0|1,0,2]=4 2077 B11R0.40 CCCCCCSCC(=O)CC 62a_100000210314_100000747405 [0,1,0,0,0,0|2,0,0]=3 2078 B11R0.40 CCCCCCSCC(=O)CC 62a_100000747405_100000210757 [0,1,0,0,0,0|2,0,0]=3 2079 B11R0.40 CCCCCCSCC(=O)NC 62a_100000183359_100000210757 [0,1,0,0,0,0|1,0,0]=2 2080 B11R0.40 CCCCCCSCC(=O)NC 62a_100000210314_100000183359 [0,1,0,0,0,0|1,0,0]=2 2081 B11R0.40 CCCCCCSCC(=O)OC 62a_100000210314_100000747449 [0,1,0,0,0,0|2,0,0]=3 2082 B11R0.40 CCCCCCSCC(=O)OC 62a_100000747449_100000210757 [0,1,0,0,0,0|2,0,0]=3 2083 B11R0.40 CCCCCCSCC(O)CO 62a_100000210314_100011219619 [0,1,0,0,0,0|1,0,2]=4 2084 B11R0.40 CCCCCCSCC(O)CO 62a_100011219619_100000210757 [0,1,0,0,0,0|1,0,2]=4 2085 B11R0.40 CCCCCCSC[C@@H](C)CO 62a_100000059175_100000210757 [0,1,0,0,0,0|2,0,1]=4 2086 B11R0.40 CCCCCCSC[C@@H](C)CO 62a_100000210314_100000059175 [0,1,0,0,0,0|2,0,1]=4 2087 B11R0.40 CCCCCCSC[C@@H](O)CO 62a_100000210314_100009815848 [0,1,0,0,0,0|1,0,2]=4 2088 B11R0.40 CCCCCCSC[C@@H](O)CO 62a_100009815848_100000210757 [0,1,0,0,0,0|1,0,2]=4 2089 B11R0.40 CCCCCNCCC(=O)NC 2230a_100000209983_100000737683 [0,1,0,0,0,0|1,0,0]=2 2090 B11R0.40 CCCCCNCCC(=O)NC 2230a_100000738227_100000210326 [0,1,0,0,0,0|1,0,0]=2 2091 B11R0.40 CCCCCNCCC(=O)NC 34a_100000738227_100000718602 [0,1,0,0,0,0|1,0,0]=2 2092 B11R0.40 CCCCCNCCC(=O)OC 2230a_100000209983_100000204255 [0,1,0,0,0,0|2,0,0]=3 2093 B11R0.40 CCCCCNCCC(C)CO 2230a_106354213184_100000210326 [0,1,0,0,0,0|2,0,1]=4 2094 B11R0.40 CCCCCNCCC(C)CO 34a_106354213184_100000718602 [0,1,0,0,0,0|2,0,1]=4 2095 B11R0.40 CCCCCOCCC(=NO)N 34a_100000749954_100000718602 [0,1,0,0,0,0|1,0,1]=3 2096 B11R0.40 CCCCCOCCC(=O)NC 34a_100000210253_100012179268 [0,1,0,0,0,0|1,0,0]=2 2097 B11R0.40 CCCCCOCCC(=O)NC 34a_100000754576_100000718602 [0,1,0,0,0,0|1,0,0]=2 2098 B11R0.40 CCCCCOCCC(=O)NC 7a_100000210253_100000737683 [0,1,0,0,0,0|1,0,0]=2 2099 B11R0.40 CCCCCOCCC(=O)OC 34a_100000210253_100000742370 [0,1,0,0,0,0|2,0,0]=3 2100 B11R0.40 CCCCCOCCC(=O)OC 7a_100000210253_100000204255 [0,1,0,0,0,0|2,0,0]=3 2101 B11R0.40 CCCCCSCCC(=O)NC 62a_100000210326_100000737683 [0,1,0,0,0,0|1,0,0]=2 2102 B11R0.40 CCCCCSCCC(=O)NC 62a_100000737683_100000210326 [0,1,0,0,0,0|1,0,0]=2 2103 B11R0.40 CCCCCSCCC(=O)OC 62a_100000204255_100000210326 [0,1,0,0,0,0|2,0,0]=3 2104 B11R0.40 CCCCCSCCC(=O)OC 62a_100000210326_100000204255 [0,1,0,0,0,0|2,0,0]=3 2105 B11R0.40 CCCCCSCOC(=O)OC 62a_100000210326_100000139417 [0,1,0,0,0,0|3,0,0]=4 2106 B11R0.40 CCCCNCCCC(=O)NC 2230a_100000102301_100000741757 [0,1,0,0,0,0|1,0,0]=2 2107 B11R0.40 CCCCNCCCC(=O)NC 2230a_100000740002_100000210211 [0,1,0,0,0,0|1,0,0]=2 2108 B11R0.40 CCCCNCCCC(=O)NC 34a_100000740002_100000210210 [0,1,0,0,0,0|1,0,0]=2 2109 B11R0.40 CCCCNCCCC(=O)NC 7a_106832991798_100000741757 [0,1,0,0,0,0|1,0,0]=2 2110 B11R0.40 CCCCNCCCC(=O)OC 2230a_100000102301_100011218270 [0,1,0,0,0,0|2,0,0]=3 2111 B11R0.40 CCCCNCCCC(=O)OC 7a_106832991798_100011218270 [0,1,0,0,0,0|2,0,0]=3 2112 B11R0.40 CCCCNCCNC(=O)CC 34a_100132302217_100000210210 [0,1,0,0,0,0|3,0,0]=4 2113 B11R0.40 CCCCNCCNC(=O)NC 34a_100015205895_100000210210 [0,1,0,0,0,0|2,0,0]=3 2114 B11R0.40 CCCCNCCOC(=O)NC 7a_106832991798_200011997002 [0,1,0,0,0,0|2,0,0]=3 2115 B11R0.40 CCCCOCCCC(=O)NC 34a_100000210227_100000741757 [0,1,0,0,0,0|1,0,0]=2 2116 B11R0.40 CCCCOCCCC(=O)NC 7a_100000210227_100000741757 [0,1,0,0,0,0|1,0,0]=2 2117 B11R0.40 CCCCOCCCC(=O)NN 34a_100000211488_100000210210 [0,1,0,0,0,0|1,0,0]=2 2118 B11R0.40 CCCCOCCCC(=O)OC 34a_100000210227_100000742333 [0,1,0,0,0,0|2,0,0]=3 2119 B11R0.40 CCCCOCCCC(=O)OC 7a_100000210227_100011218270 [0,1,0,0,0,0|2,0,0]=3 2120 B11R0.40 CCCCOCCNC(=O)CC 34a_200000158885_100000210210 [0,1,0,0,0,0|3,0,0]=4 2121 B11R0.40 CCCCOCCNC(=O)CC 7a_200000158885_100000210211 [0,1,0,0,0,0|3,0,0]=4 2122 B11R0.40 CCCCOCCNC(=O)OC 34a_100000757965_100000210210 [0,1,0,0,0,0|3,0,0]=4 2123 B11R0.40 CCCCOCCOC(=O)CC 7a_200000031056_100000210211 [0,1,0,0,0,0|3,0,0]=4 2124 B11R0.40 CCCCOCCOC(=O)NC 34a_100000210227_200011997002 [0,1,0,0,0,0|2,0,0]=3 2125 B11R0.40 CCCCOCCOC(=O)NC 7a_100000210227_200011997002 [0,1,0,0,0,0|2,0,0]=3 2126 B11R0.40 CCCCOCCOC(=O)OC 34a_100010262106_100000210210 [0,1,0,0,0,0|3,0,0]=4 2127 B11R0.40 CCCCOCNCC(=O)NC 2230a_100000693194_100011995733 [0,1,0,0,0,0|2,0,0]=3 2128 B11R0.40 CCCCOCOCC(=O)CC 34a_100000725409_100011995733 [0,1,0,0,0,0|3,0,0]=4 2129 B11R0.40 CCCCOCOCC(=O)NC 34a_100000750040_100011995733 [0,1,0,0,0,0|2,0,0]=3 2130 B11R0.40 CCCCOCSCC(=O)CC 62a_100000747405_100011995733 [0,1,0,0,0,0|3,0,0]=4 2131 B11R0.40 CCCCOCSCC(=O)CC 62a_100011995733_100000747405 [0,1,0,0,0,0|3,0,0]=4 2132 B11R0.40 CCCCOCSCC(=O)NC 62a_100000183359_100011995733 [0,1,0,0,0,0|2,0,0]=3 2133 B11R0.40 CCCCOCSCC(=O)NC 62a_100011995733_100000183359 [0,1,0,0,0,0|2,0,0]=3 2134 B11R0.40 CCCCOCSCC(=O)OC 62a_100000747449_100011995733 [0,1,0,0,0,0|3,0,0]=4 2135 B11R0.40 CCCCOCSCC(=O)OC 62a_100011995733_100000747449 [0,1,0,0,0,0|3,0,0]=4 2136 B11R0.40 CCCCSCCCC(=O)NC 62a_100000210211_100000741757 [0,1,0,0,0,0|1,0,0]=2 2137 B11R0.40 CCCCSCCCC(=O)NC 62a_100000741757_100000210210 [0,1,0,0,0,0|1,0,0]=2 2138 B11R0.40 CCCCSCCCC(=O)OC 62a_100000210211_100011218270 [0,1,0,0,0,0|2,0,0]=3 2139 B11R0.40 CCCCSCCCC(=O)OC 62a_100011218270_100000210210 [0,1,0,0,0,0|2,0,0]=3 2140 B11R0.40 CCCCSCCNC(=O)CC 11a_100025743550_100000210414 [0,1,0,0,0,0|3,0,0]=4 2141 B11R0.40 CCCCSCCNC(=O)CC 1626a_100025743550_100000210414 [0,1,0,0,0,0|3,0,0]=4 2142 B11R0.40 CCCCSCCNC(=O)CC 240690a_100025743550_100000210414 [0,1,0,0,0,0|3,0,0]=4 2143 B11R0.40 CCCCSCCNC(=O)CC 527a_100025743550_100000210414 [0,1,0,0,0,0|3,0,0]=4 2144 B11R0.40 CCCCSCCNC(=O)CO 240690a_100025743550_100000210174 [0,1,0,0,0,0|2,0,0]=3 2145 B11R0.40 CCCCSCCNC(=O)CO 527a_100025743550_100000210174 [0,1,0,0,0,0|2,0,0]=3 2146 B11R0.40 CCCCSCCNC(=O)NC 2708a_100025743550_106832991635 [0,1,0,0,0,0|2,0,0]=3 2147 B11R0.40 CCCCSCCNC(=O)NC 2708a_100102657272_100025743550 [0,1,0,0,0,0|2,0,0]=3 2148 B11R0.40 CCCCSCCNC(=O)NC 273464a_100025743550_100102657272 [0,1,0,0,0,0|2,0,0]=3 2149 B11R0.40 CCCCSCCNC(=O)NC 273464a_100102657272_100025743550 [0,1,0,0,0,0|2,0,0]=3 2150 B11R0.40 CCCCSCCNC(=O)NC 512a_100025743550_100102657272 [0,1,0,0,0,0|2,0,0]=3 2151 B11R0.40 CCCCSCCNC(=O)NC 512a_106832991638_100025743550 [0,1,0,0,0,0|2,0,0]=3 2152 B11R0.40 CCCCSCCOC(=O)NC 62a_100000210211_200011997002 [0,1,0,0,0,0|2,0,0]=3 2153 B11R0.40 CCCCSCCOC(=O)NC 62a_200011997002_100000210210 [0,1,0,0,0,0|2,0,0]=3 2154 B11R0.40 CCCOCCCCC(=O)OC 34a_100000059025_100000210303 [0,1,0,0,0,0|2,0,0]=3 2155 B11R0.40 CCCOCCCCC(=O)OC 34a_100000210258_100000204269 [0,1,0,0,0,0|2,0,0]=3 2156 B11R0.40 CCCOCCCCC(=O)OC 7a_100000059025_100000210303 [0,1,0,0,0,0|2,0,0]=3 2157 B11R0.40 CCCOCCCNC(=O)CC 1626a_100011217757_100000210414 [0,1,0,0,0,0|3,0,0]=4 2158 B11R0.40 CCCOCCCNC(=O)CC 240690a_100011217757_100000210414 [0,1,0,0,0,0|3,0,0]=4 2159 B11R0.40 CCCOCCCNC(=O)CC 527a_100011217757_100000210414 [0,1,0,0,0,0|3,0,0]=4 2160 B11R0.40 CCCOCCCNC(=O)CO 240690a_100011217757_100000210174 [0,1,0,0,0,0|2,0,0]=3 2161 B11R0.40 CCCOCCCNC(=O)CO 527a_100011217757_100000210174 [0,1,0,0,0,0|2,0,0]=3 2162 B11R0.40 CCCOCCCNC(=O)NC 2708a_100011217757_106832991635 [0,1,0,0,0,0|2,0,0]=3 2163 B11R0.40 CCCOCCCNC(=O)NC 2708a_100102657272_100011217757 [0,1,0,0,0,0|2,0,0]=3 2164 B11R0.40 CCCOCCCNC(=O)NC 273464a_100011217757_100102657272 [0,1,0,0,0,0|2,0,0]=3 2165 B11R0.40 CCCOCCCNC(=O)NC 273464a_100102657272_100011217757 [0,1,0,0,0,0|2,0,0]=3 2166 B11R0.40 CCCOCCCNC(=O)NC 512a_100011217757_100102657272 [0,1,0,0,0,0|2,0,0]=3 2167 B11R0.40 CCCOCCCNC(=O)NC 512a_106832991638_100011217757 [0,1,0,0,0,0|2,0,0]=3 2168 B11R0.40 CCCOCCNCC(=O)NC 2230a_100000693194_100011215938 [0,1,0,0,0,0|2,0,0]=3 2169 B11R0.40 CCCOCCNCC(=O)NC 2230a_100161115042_100000183359 [0,1,0,0,0,0|2,0,0]=3 2170 B11R0.40 CCCOCCNCC(=O)NC 34a_100161115042_100000183359 [0,1,0,0,0,0|2,0,0]=3 2171 B11R0.40 CCCOCCNCC(=O)OC 2230a_100161115042_100000747449 [0,1,0,0,0,0|3,0,0]=4 2172 B11R0.40 CCCOCCNCC(=O)OC 34a_100161115042_100000747449 [0,1,0,0,0,0|3,0,0]=4 2173 B11R0.40 CCCOCCOCC(=O)CC 34a_100000725409_100011215938 [0,1,0,0,0,0|3,0,0]=4 2174 B11R0.40 CCCOCCOCC(=O)CC 7a_100000752267_100000747405 [0,1,0,0,0,0|3,0,0]=4 2175 B11R0.40 CCCOCCOCC(=O)NC 34a_100000750040_100011215938 [0,1,0,0,0,0|2,0,0]=3 2176 B11R0.40 CCCOCCOCC(=O)NC 34a_100000752267_100000183359 [0,1,0,0,0,0|2,0,0]=3 2177 B11R0.40 CCCOCCOCC(=O)NC 7a_100000752267_100000183359 [0,1,0,0,0,0|2,0,0]=3 2178 B11R0.40 CCCOCCOCC(=O)OC 34a_100000210258_100000090808 [0,1,0,0,0,0|3,0,0]=4 2179 B11R0.40 CCCOCCOCC(=O)OC 34a_100000752267_100000747449 [0,1,0,0,0,0|3,0,0]=4 2180 B11R0.40 CCCOCCOCC(=O)OC 7a_100000752267_100000747449 [0,1,0,0,0,0|3,0,0]=4 2181 B11R0.40 CCCOCCSCC(=O)CC 62a_100000747405_100011215938 [0,1,0,0,0,0|3,0,0]=4 2182 B11R0.40 CCCOCCSCC(=O)CC 62a_100011215938_100000747405 [0,1,0,0,0,0|3,0,0]=4 2183 B11R0.40 CCCOCCSCC(=O)NC 62a_100000183359_100011215938 [0,1,0,0,0,0|2,0,0]=3 2184 B11R0.40 CCCOCCSCC(=O)NC 62a_100011215938_100000183359 [0,1,0,0,0,0|2,0,0]=3 2185 B11R0.40 CCCOCCSCC(=O)OC 62a_100000747449_100011215938 [0,1,0,0,0,0|3,0,0]=4 2186 B11R0.40 CCCOCCSCC(=O)OC 62a_100011215938_100000747449 [0,1,0,0,0,0|3,0,0]=4 2187 B11R0.40 CCCSCCCCC(=O)OC 62a_100000204269_100000210303 [0,1,0,0,0,0|2,0,0]=3 2188 B11R0.40 CCCSCCCCC(=O)OC 62a_100000210303_100000204269 [0,1,0,0,0,0|2,0,0]=3 2189 B11R0.40 CCCSCCNCC(=O)NC 2230a_100020603323_100000183359 [0,1,0,0,0,0|2,0,0]=3 2190 B11R0.40 CCCSCCNCC(=O)OC 2230a_100020603323_100000747449 [0,1,0,0,0,0|3,0,0]=4 2191 B11R0.40 CCCSCCOCC(=O)CC 7a_200000230433_100000747405 [0,1,0,0,0,0|3,0,0]=4 2192 B11R0.40 CCCSCCOCC(=O)NC 34a_200000230433_100000183359 [0,1,0,0,0,0|2,0,0]=3 2193 B11R0.40 CCCSCCOCC(=O)NC 7a_200000230433_100000183359 [0,1,0,0,0,0|2,0,0]=3 2194 B11R0.40 CCCSCCOCC(=O)OC 34a_200000230433_100000747449 [0,1,0,0,0,0|3,0,0]=4 2195 B11R0.40 CCCSCCOCC(=O)OC 62a_100000090808_100000210303 [0,1,0,0,0,0|3,0,0]=4 2196 B11R0.40 CCCSCCOCC(=O)OC 62a_100000210303_100000090808 [0,1,0,0,0,0|3,0,0]=4 2197 B11R0.40 CCCSCCOCC(=O)OC 7a_200000230433_100000747449 [0,1,0,0,0,0|3,0,0]=4 2198 B11R0.40 CCNCCCCCC(=O)OC 2230a_100015525214_100009816466 [0,1,0,0,0,0|2,0,0]=3 2199 B11R0.40 CCOCCCCCC(=O)OC 34a_100000074720_100000210202 [0,1,0,0,0,0|2,0,0]=3 2200 B11R0.40 CCOCCCCCC(=O)OC 34a_100121572206_100009816466 [0,1,0,0,0,0|2,0,0]=3 2201 B11R0.40 CCOCCCCCC(=O)OC 7a_100000074720_100000210202 [0,1,0,0,0,0|2,0,0]=3 2202 B11R0.40 CCOCCCNCC(=O)NC 2230a_100000210961_100000183359 [0,1,0,0,0,0|2,0,0]=3 2203 B11R0.40 CCOCCCNCC(=O)NC 2230a_100000693194_100012232248 [0,1,0,0,0,0|2,0,0]=3 2204 B11R0.40 CCOCCCNCC(=O)NC 34a_100000210961_100000183359 [0,1,0,0,0,0|2,0,0]=3 2205 B11R0.40 CCOCCCNCC(=O)OC 2230a_100000210961_100000747449 [0,1,0,0,0,0|3,0,0]=4 2206 B11R0.40 CCOCCCNCC(=O)OC 34a_100000210961_100000747449 [0,1,0,0,0,0|3,0,0]=4 2207 B11R0.40 CCOCCCOCC(=O)CC 34a_100000725409_100012232248 [0,1,0,0,0,0|3,0,0]=4 2208 B11R0.40 CCOCCCOCC(=O)CC 7a_100000757476_100000747405 [0,1,0,0,0,0|3,0,0]=4 2209 B11R0.40 CCOCCCOCC(=O)NC 34a_100000750040_100012232248 [0,1,0,0,0,0|2,0,0]=3 2210 B11R0.40 CCOCCCOCC(=O)NC 34a_100000757476_100000183359 [0,1,0,0,0,0|2,0,0]=3 2211 B11R0.40 CCOCCCOCC(=O)NC 7a_100000757476_100000183359 [0,1,0,0,0,0|2,0,0]=3 2212 B11R0.40 CCOCCCOCC(=O)OC 34a_100000757476_100000747449 [0,1,0,0,0,0|3,0,0]=4 2213 B11R0.40 CCOCCCOCC(=O)OC 7a_100000757476_100000747449 [0,1,0,0,0,0|3,0,0]=4 2214 B11R0.40 CCOCCCSCC(=O)CC 62a_100000747405_100012232248 [0,1,0,0,0,0|3,0,0]=4 2215 B11R0.40 CCOCCCSCC(=O)CC 62a_100012232248_100000747405 [0,1,0,0,0,0|3,0,0]=4 2216 B11R0.40 CCOCCCSCC(=O)NC 62a_100000183359_100012232248 [0,1,0,0,0,0|2,0,0]=3 2217 B11R0.40 CCOCCCSCC(=O)NC 62a_100012232248_100000183359 [0,1,0,0,0,0|2,0,0]=3 2218 B11R0.40 CCOCCCSCC(=O)OC 62a_100000747449_100012232248 [0,1,0,0,0,0|3,0,0]=4 2219 B11R0.40 CCOCCCSCC(=O)OC 62a_100012232248_100000747449 [0,1,0,0,0,0|3,0,0]=4 2220 B11R0.40 CCOCCNCCC(=O)NC 2230a_100000738227_100011215890 [0,1,0,0,0,0|2,0,0]=3 2221 B11R0.40 CCOCCNCCC(=O)NC 2230a_102516460346_100000737683 [0,1,0,0,0,0|2,0,0]=3 2222 B11R0.40 CCOCCNCCC(=O)NC 34a_100000738227_100000210147 [0,1,0,0,0,0|2,0,0]=3 2223 B11R0.40 CCOCCNCCC(=O)NC 34a_102516460346_100012179268 [0,1,0,0,0,0|2,0,0]=3 2224 B11R0.40 CCOCCNCCC(=O)OC 2230a_102516460346_100000204255 [0,1,0,0,0,0|3,0,0]=4 2225 B11R0.40 CCOCCNCCC(=O)OC 34a_102516460346_100000742370 [0,1,0,0,0,0|3,0,0]=4 2226 B11R0.40 CCOCCOCCC(=NO)N 34a_100000749954_100000210147 [0,1,0,0,0,0|2,0,1]=4 2227 B11R0.40 CCOCCOCCC(=O)CC 1458a_100000210414_100011211534 [0,1,0,0,0,0|3,0,0]=4 2228 B11R0.40 CCOCCOCCC(=O)CO 1458a_100000210174_100011211534 [0,1,0,0,0,0|2,0,0]=3 2229 B11R0.40 CCOCCOCCC(=O)NC 34a_100000210136_100012179268 [0,1,0,0,0,0|2,0,0]=3 2230 B11R0.40 CCOCCOCCC(=O)NC 34a_100000754576_100000210147 [0,1,0,0,0,0|2,0,0]=3 2231 B11R0.40 CCOCCOCCC(=O)NC 7a_100000210136_100000737683 [0,1,0,0,0,0|2,0,0]=3 2232 B11R0.40 CCOCCOCCC(=O)OC 34a_100000210136_100000742370 [0,1,0,0,0,0|3,0,0]=4 2233 B11R0.40 CCOCCOCCC(=O)OC 7a_100000210136_100000204255 [0,1,0,0,0,0|3,0,0]=4 2234 B11R0.40 CCOCCSCCC(=O)NC 62a_100000210147_100000737683 [0,1,0,0,0,0|2,0,0]=3 2235 B11R0.40 CCOCCSCCC(=O)NC 62a_100000737683_100011215890 [0,1,0,0,0,0|2,0,0]=3 2236 B11R0.40 CCOCCSCCC(=O)OC 62a_100000204255_100011215890 [0,1,0,0,0,0|3,0,0]=4 2237 B11R0.40 CCOCCSCCC(=O)OC 62a_100000210147_100000204255 [0,1,0,0,0,0|3,0,0]=4 2238 B11R0.40 CCOCSCCCC(=O)NC 62a_100000739092_100000741757 [0,1,0,0,0,0|2,0,0]=3 2239 B11R0.40 CCOCSCCCC(=O)NC 62a_100000741757_100000739092 [0,1,0,0,0,0|2,0,0]=3 2240 B11R0.40 CCOCSCCCC(=O)OC 62a_100000739092_100011218270 [0,1,0,0,0,0|3,0,0]=4 2241 B11R0.40 CCOCSCCCC(=O)OC 62a_100011218270_100000739092 [0,1,0,0,0,0|3,0,0]=4 2242 B11R0.40 CCOCSCCOC(=O)NC 62a_100000739092_200011997002 [0,1,0,0,0,0|3,0,0]=4 2243 B11R0.40 CCOCSCCOC(=O)NC 62a_200011997002_100000739092 [0,1,0,0,0,0|3,0,0]=4 2244 B11R0.40 CCSCCCCCC(=O)OC 62a_100000210202_100009816466 [0,1,0,0,0,0|2,0,0]=3 2245 B11R0.40 CCSCCCCCC(=O)OC 62a_100009816466_100000210202 [0,1,0,0,0,0|2,0,0]=3 2246 B11R0.40 CCSCCCOCC(=O)CC 7a_100011216438_100000747405 [0,1,0,0,0,0|3,0,0]=4 2247 B11R0.40 CCSCCCOCC(=O)NC 34a_100011216438_100000183359 [0,1,0,0,0,0|2,0,0]=3 2248 B11R0.40 CCSCCCOCC(=O)NC 7a_100011216438_100000183359 [0,1,0,0,0,0|2,0,0]=3 2249 B11R0.40 CCSCCCOCC(=O)OC 34a_100011216438_100000747449 [0,1,0,0,0,0|3,0,0]=4 2250 B11R0.40 CCSCCCOCC(=O)OC 7a_100011216438_100000747449 [0,1,0,0,0,0|3,0,0]=4 2251 B11R0.40 CCSCCNCCC(=O)NC 2230a_100000106463_100000737683 [0,1,0,0,0,0|2,0,0]=3 2252 B11R0.40 CCSCCNCCC(=O)NC 2230a_100000738227_100000757381 [0,1,0,0,0,0|2,0,0]=3 2253 B11R0.40 CCSCCNCCC(=O)NC 34a_100000738227_100000757381 [0,1,0,0,0,0|2,0,0]=3 2254 B11R0.40 CCSCCNCCC(=O)OC 2230a_100000106463_100000204255 [0,1,0,0,0,0|3,0,0]=4 2255 B11R0.40 CCSCCOCCC(=NO)N 34a_100000749954_100000757381 [0,1,0,0,0,0|2,0,1]=4 2256 B11R0.40 CCSCCOCCC(=O)NC 34a_100000212035_100012179268 [0,1,0,0,0,0|2,0,0]=3 2257 B11R0.40 CCSCCOCCC(=O)NC 34a_100000754576_100000757381 [0,1,0,0,0,0|2,0,0]=3 2258 B11R0.40 CCSCCOCCC(=O)NC 7a_100000212035_100000737683 [0,1,0,0,0,0|2,0,0]=3 2259 B11R0.40 CCSCCOCCC(=O)OC 34a_100000212035_100000742370 [0,1,0,0,0,0|3,0,0]=4 2260 B11R0.40 CCSCCOCCC(=O)OC 7a_100000212035_100000204255 [0,1,0,0,0,0|3,0,0]=4 2261 B11R0.40 CCSCCSCCC(=O)NC 62a_100000737683_100000757381 [0,1,0,0,0,0|2,0,0]=3 2262 B11R0.40 CCSCCSCCC(=O)NC 62a_100000757381_100000737683 [0,1,0,0,0,0|2,0,0]=3 2263 B11R0.40 CCSCCSCCC(=O)OC 62a_100000204255_100000757381 [0,1,0,0,0,0|3,0,0]=4 2264 B11R0.40 CCSCCSCCC(=O)OC 62a_100000757381_100000204255 [0,1,0,0,0,0|3,0,0]=4 2265 B11R0.40 CNC(=O)CCCCCCCO 240690a_100102657272_100011219782 [0,1,0,0,0,0|1,0,0]=2 2266 B11R0.40 CNC(=O)CCCCCN=[N+]=[N-] 11a_106832991635_100009870042 [0,1,0,0,0,0|3,0,0]=4 2267 B11R0.40 CNC(=O)CCCCCN=[N+]=[N-] 240690a_100102657272_100009870042 [0,1,0,0,0,0|3,0,0]=4 2268 B11R0.40 CNC(=O)CCCCCN=[N+]=[N-] 527a_100102657272_100009870042 [0,1,0,0,0,0|3,0,0]=4 2269 B11R0.40 CNC(=O)CCCNCCC#N 2230a_100000740002_100011215226 [0,1,0,0,0,0|2,0,1]=4 2270 B11R0.40 CNC(=O)CCCNCCCF 2230a_100000740002_100011934791 [0,1,0,0,0,0|2,0,0]=3 2271 B11R0.40 CNC(=O)CCCNCCCF 2230a_100015189416_100000741757 [0,1,0,0,0,0|2,0,0]=3 2272 B11R0.40 CNC(=O)CCCNCCCF 34a_100000740002_100011934791 [0,1,0,0,0,0|2,0,0]=3 2273 B11R0.40 CNC(=O)CCCNCCCF 34a_100015189416_100000741757 [0,1,0,0,0,0|2,0,0]=3 2274 B11R0.40 CNC(=O)CCCNCCCO 2230a_100000740002_100000230001 [0,1,0,0,0,0|2,0,0]=3 2275 B11R0.40 CNC(=O)CCCNCCCO 34a_100000740002_100000230001 [0,1,0,0,0,0|2,0,0]=3 2276 B11R0.40 CNC(=O)CCCNCCOC 2230a_100000209980_100000741757 [0,1,0,0,0,0|2,0,0]=3 2277 B11R0.40 CNC(=O)CCCNCCOC 2230a_100000740002_100011201679 [0,1,0,0,0,0|2,0,0]=3 2278 B11R0.40 CNC(=O)CCCNCCOC 34a_100000740002_100011201679 [0,1,0,0,0,0|2,0,0]=3 2279 B11R0.40 CNC(=O)CCCNCCSC 2230a_100000740002_100000751147 [0,1,0,0,0,0|2,0,0]=3 2280 B11R0.40 CNC(=O)CCCNCCSC 2230a_100020590264_100000741757 [0,1,0,0,0,0|2,0,0]=3 2281 B11R0.40 CNC(=O)CCCNCCSC 34a_100000740002_100000212216 [0,1,0,0,0,0|2,0,0]=3 2282 B11R0.40 CNC(=O)CCCOCCCBr 34a_100011217188_100000741757 [0,1,0,0,0,0|2,0,0]=3 2283 B11R0.40 CNC(=O)CCCOCCCCl 34a_100000230001_100000741757 [0,1,0,0,0,0|2,0,0]=3 2284 B11R0.40 CNC(=O)CCCOCCCF 34a_100000759539_100000741757 [0,1,0,0,0,0|2,0,0]=3 2285 B11R0.40 CNC(=O)CCCOCCCN 34a_100000182051_100000741757 [0,1,0,0,0,0|2,0,0]=3 2286 B11R0.40 CNC(=O)CCCOCCOC 34a_100000210237_100000741757 [0,1,0,0,0,0|2,0,0]=3 2287 B11R0.40 CNC(=O)CCCOCCON 34a_100000700252_100000741757 [0,1,0,0,0,0|3,0,0]=4 2288 B11R0.40 CNC(=O)CCCOCCSC 34a_100000230434_100000741757 [0,1,0,0,0,0|2,0,0]=3 2289 B11R0.40 CNC(=O)CCCOCCSC 7a_100000230434_100000741757 [0,1,0,0,0,0|2,0,0]=3 2290 B11R0.40 CNC(=O)CCCSCCC#N 62a_100000741757_100011215226 [0,1,0,0,0,0|2,0,1]=4 2291 B11R0.40 CNC(=O)CCCSCCC#N 62a_100011215226_100000741757 [0,1,0,0,0,0|2,0,1]=4 2292 B11R0.40 CNC(=O)CCCSCCCF 62a_100000741757_100011934791 [0,1,0,0,0,0|2,0,0]=3 2293 B11R0.40 CNC(=O)CCCSCCCF 62a_100011934791_100000741757 [0,1,0,0,0,0|2,0,0]=3 2294 B11R0.40 CNC(=O)CCCSCCCO 62a_100000741757_100011215043 [0,1,0,0,0,0|2,0,0]=3 2295 B11R0.40 CNC(=O)CCCSCCCO 62a_100011215043_100000741757 [0,1,0,0,0,0|2,0,0]=3 2296 B11R0.40 CNC(=O)CCCSCCOC 62a_100000233755_100000741757 [0,1,0,0,0,0|2,0,0]=3 2297 B11R0.40 CNC(=O)CCCSCCOC 62a_100000741757_100000233755 [0,1,0,0,0,0|2,0,0]=3 2298 B11R0.40 CNC(=O)CCCSCCSC 62a_100000212216_100000741757 [0,1,0,0,0,0|2,0,0]=3 2299 B11R0.40 CNC(=O)CCCSCCSC 62a_100000741757_100000751147 [0,1,0,0,0,0|2,0,0]=3 2300 B11R0.40 CNC(=O)CCNCCCC#N 2230a_100000738227_100000687738 [0,1,0,0,0,0|2,0,1]=4 2301 B11R0.40 CNC(=O)CCNCCCC=O 2230a_100000738227_200011292268 [0,1,0,0,0,0|2,0,1]=4 2302 B11R0.40 CNC(=O)CCNCCCCF 2230a_100000738227_100000729493 [0,1,0,0,0,0|2,0,0]=3 2303 B11R0.40 CNC(=O)CCNCCCCF 34a_100000738227_100000729493 [0,1,0,0,0,0|2,0,0]=3 2304 B11R0.40 CNC(=O)CCNCCCCO 2230a_100000738227_100000210776 [0,1,0,0,0,0|2,0,0]=3 2305 B11R0.40 CNC(=O)CCNCCCCO 2230a_100000750430_100000737683 [0,1,0,0,0,0|2,0,0]=3 2306 B11R0.40 CNC(=O)CCNCCCCO 34a_100000738227_100011216708 [0,1,0,0,0,0|2,0,0]=3 2307 B11R0.40 CNC(=O)CCNCCCCO 34a_100000750430_100012179268 [0,1,0,0,0,0|2,0,0]=3 2308 B11R0.40 CNC(=O)CCNCCCOC 2230a_100000738227_100000740836 [0,1,0,0,0,0|2,0,0]=3 2309 B11R0.40 CNC(=O)CCNCCCOC 34a_100000738227_100000740836 [0,1,0,0,0,0|2,0,0]=3 2310 B11R0.40 CNC(=O)CCNCCCOC 34a_100150723488_100012179268 [0,1,0,0,0,0|2,0,0]=3 2311 B11R0.40 CNC(=O)CCNCCCSC 2230a_100000749238_100000737683 [0,1,0,0,0,0|2,0,0]=3 2312 B11R0.40 CNC(=O)CCOCCCCBr 34a_100011216708_100012179268 [0,1,0,0,0,0|2,0,0]=3 2313 B11R0.40 CNC(=O)CCOCCCCCl 34a_100000210776_100012179268 [0,1,0,0,0,0|2,0,0]=3 2314 B11R0.40 CNC(=O)CCOCCCCCl 7a_100000210776_100000737683 [0,1,0,0,0,0|2,0,0]=3 2315 B11R0.40 CNC(=O)CCOCCCCF 34a_100000754576_100000729493 [0,1,0,0,0,0|2,0,0]=3 2316 B11R0.40 CNC(=O)CCOCCCCF 34a_100011995726_100012179268 [0,1,0,0,0,0|2,0,0]=3 2317 B11R0.40 CNC(=O)CCOCCCCF 7a_100011995726_100000737683 [0,1,0,0,0,0|2,0,0]=3 2318 B11R0.40 CNC(=O)CCOCCCCI 34a_200012148704_100012179268 [0,1,0,0,0,0|2,0,0]=3 2319 B11R0.40 CNC(=O)CCOCCCCN 34a_100000750430_100012179268 [0,1,0,0,0,0|2,0,0]=3 2320 B11R0.40 CNC(=O)CCOCCCCO 34a_100000754576_100011216708 [0,1,0,0,0,0|2,0,0]=3 2321 B11R0.40 CNC(=O)CCOCCCOC 34a_100000740835_100012179268 [0,1,0,0,0,0|2,0,0]=3 2322 B11R0.40 CNC(=O)CCOCCCOC 34a_100000754576_100000740836 [0,1,0,0,0,0|2,0,0]=3 2323 B11R0.40 CNC(=O)CCOCCCSC 34a_100000690336_100012179268 [0,1,0,0,0,0|2,0,0]=3 2324 B11R0.40 CNC(=O)CCOCCCSC 7a_100000690336_100000737683 [0,1,0,0,0,0|2,0,0]=3 2325 B11R0.40 CNC(=O)CCSCCCC#N 62a_100000687738_100000737683 [0,1,0,0,0,0|2,0,1]=4 2326 B11R0.40 CNC(=O)CCSCCCC#N 62a_100000737683_100000687738 [0,1,0,0,0,0|2,0,1]=4 2327 B11R0.40 CNC(=O)CCSCCCC=O 62a_100000737683_200011292268 [0,1,0,0,0,0|2,0,1]=4 2328 B11R0.40 CNC(=O)CCSCCCC=O 62a_200011292268_100000737683 [0,1,0,0,0,0|2,0,1]=4 2329 B11R0.40 CNC(=O)CCSCCCCF 62a_100000729493_100000737683 [0,1,0,0,0,0|2,0,0]=3 2330 B11R0.40 CNC(=O)CCSCCCCF 62a_100000737683_100000729493 [0,1,0,0,0,0|2,0,0]=3 2331 B11R0.40 CNC(=O)CCSCCCCO 62a_100000210776_100000737683 [0,1,0,0,0,0|2,0,0]=3 2332 B11R0.40 CNC(=O)CCSCCCCO 62a_100000737683_100000210776 [0,1,0,0,0,0|2,0,0]=3 2333 B11R0.40 CNC(=O)CCSCCCOC 62a_100000709357_100000737683 [0,1,0,0,0,0|2,0,0]=3 2334 B11R0.40 CNC(=O)CCSCCCOC 62a_100000737683_100000709357 [0,1,0,0,0,0|2,0,0]=3 2335 B11R0.40 CNC(=O)CNCCCCC#N 2230a_100000693194_100000211819 [0,1,0,0,0,0|2,0,1]=4 2336 B11R0.40 CNC(=O)CNCCCCC=O 2230a_100000693194_100000139335 [0,1,0,0,0,0|2,0,1]=4 2337 B11R0.40 CNC(=O)CNCCCCCF 2230a_100000693194_100000729378 [0,1,0,0,0,0|2,0,0]=3 2338 B11R0.40 CNC(=O)CNCCCCCO 2230a_100000693194_100000746330 [0,1,0,0,0,0|2,0,0]=3 2339 B11R0.40 CNC(=O)CNCCCCCO 2230a_100000762737_100000183359 [0,1,0,0,0,0|2,0,0]=3 2340 B11R0.40 CNC(=O)CNCCCCCO 34a_100000762737_100000183359 [0,1,0,0,0,0|2,0,0]=3 2341 B11R0.40 CNC(=O)CNCCCCOC 2230a_100000693194_100000730899 [0,1,0,0,0,0|2,0,0]=3 2342 B11R0.40 CNC(=O)CNCCOCCO 2230a_100000211614_100000183359 [0,1,0,0,0,0|3,0,0]=4 2343 B11R0.40 CNC(=O)CNCCOCCO 2230a_100000693194_100011215305 [0,1,0,0,0,0|3,0,0]=4 2344 B11R0.40 CNC(=O)CNCCOCCO 34a_100000211614_100000183359 [0,1,0,0,0,0|3,0,0]=4 2345 B11R0.40 CNC(=O)CNCCSCCO 2230a_100011219999_100000183359 [0,1,0,0,0,0|3,0,0]=4 2346 B11R0.40 CNC(=O)CNCOCCOC 2230a_100000693194_100000231047 [0,1,0,0,0,0|3,0,0]=4 2347 B11R0.40 CNC(=O)COCCCCCBr 34a_100000746331_100000183359 [0,1,0,0,0,0|2,0,0]=3 2348 B11R0.40 CNC(=O)COCCCCCBr 7a_100000746331_100000183359 [0,1,0,0,0,0|2,0,0]=3 2349 B11R0.40 CNC(=O)COCCCCCCl 34a_100000746330_100000183359 [0,1,0,0,0,0|2,0,0]=3 2350 B11R0.40 CNC(=O)COCCCCCCl 7a_100000746330_100000183359 [0,1,0,0,0,0|2,0,0]=3 2351 B11R0.40 CNC(=O)COCCCCCF 34a_100000750040_100000729378 [0,1,0,0,0,0|2,0,0]=3 2352 B11R0.40 CNC(=O)COCCCCCI 34a_200012148887_100000183359 [0,1,0,0,0,0|2,0,0]=3 2353 B11R0.40 CNC(=O)COCCCCCI 7a_200012148887_100000183359 [0,1,0,0,0,0|2,0,0]=3 2354 B11R0.40 CNC(=O)COCCCCCN 34a_100000762737_100000183359 [0,1,0,0,0,0|2,0,0]=3 2355 B11R0.40 CNC(=O)COCCCCCO 34a_100000750040_100000746330 [0,1,0,0,0,0|2,0,0]=3 2356 B11R0.40 CNC(=O)COCCCCOC 34a_100000740925_100000183359 [0,1,0,0,0,0|2,0,0]=3 2357 B11R0.40 CNC(=O)COCCCCOC 34a_100000750040_100000755781 [0,1,0,0,0,0|2,0,0]=3 2358 B11R0.40 CNC(=O)COCCCCSC 34a_100011217163_100000183359 [0,1,0,0,0,0|2,0,0]=3 2359 B11R0.40 CNC(=O)COCCCCSC 7a_100011217163_100000183359 [0,1,0,0,0,0|2,0,0]=3 2360 B11R0.40 CNC(=O)COCCOCCBr 34a_100000692535_100000183359 [0,1,0,0,0,0|3,0,0]=4 2361 B11R0.40 CNC(=O)COCCOCCBr 7a_100000692535_100000183359 [0,1,0,0,0,0|3,0,0]=4 2362 B11R0.40 CNC(=O)COCCOCCCl 34a_100011215305_100000183359 [0,1,0,0,0,0|3,0,0]=4 2363 B11R0.40 CNC(=O)COCCOCCCl 7a_100011215305_100000183359 [0,1,0,0,0,0|3,0,0]=4 2364 B11R0.40 CNC(=O)COCCOCCF 34a_200015357709_100000183359 [0,1,0,0,0,0|3,0,0]=4 2365 B11R0.40 CNC(=O)COCCOCCF 7a_200015357709_100000183359 [0,1,0,0,0,0|3,0,0]=4 2366 B11R0.40 CNC(=O)COCCOCCI 34a_100012149058_100000183359 [0,1,0,0,0,0|3,0,0]=4 2367 B11R0.40 CNC(=O)COCCOCCI 7a_100012149058_100000183359 [0,1,0,0,0,0|3,0,0]=4 2368 B11R0.40 CNC(=O)COCCOCCN 34a_100000211614_100000183359 [0,1,0,0,0,0|3,0,0]=4 2369 B11R0.40 CNC(=O)COCCOCCO 1626a_100102657272_106645077154 [0,1,0,0,0,0|3,0,0]=4 2370 B11R0.40 CNC(=O)COCCOCCO 240690a_100102657272_106645077154 [0,1,0,0,0,0|3,0,0]=4 2371 B11R0.40 CNC(=O)COCCOCCO 34a_100000750040_100000692535 [0,1,0,0,0,0|3,0,0]=4 2372 B11R0.40 CNC(=O)CSCCCCC#N 62a_100000183359_100000211819 [0,1,0,0,0,0|2,0,1]=4 2373 B11R0.40 CNC(=O)CSCCCCC#N 62a_100011219923_100000183359 [0,1,0,0,0,0|2,0,1]=4 2374 B11R0.40 CNC(=O)CSCCCCC=O 62a_100000139335_100000183359 [0,1,0,0,0,0|2,0,1]=4 2375 B11R0.40 CNC(=O)CSCCCCC=O 62a_100000183359_100000139335 [0,1,0,0,0,0|2,0,1]=4 2376 B11R0.40 CNC(=O)CSCCCCCF 62a_100000183359_100000729378 [0,1,0,0,0,0|2,0,0]=3 2377 B11R0.40 CNC(=O)CSCCCCCF 62a_100000729378_100000183359 [0,1,0,0,0,0|2,0,0]=3 2378 B11R0.40 CNC(=O)CSCCCCCO 62a_100000183359_100000746330 [0,1,0,0,0,0|2,0,0]=3 2379 B11R0.40 CNC(=O)CSCCCCCO 62a_100000746330_100000183359 [0,1,0,0,0,0|2,0,0]=3 2380 B11R0.40 CNC(=O)CSCCCCOC 62a_100000183359_100000730899 [0,1,0,0,0,0|2,0,0]=3 2381 B11R0.40 CNC(=O)CSCCCCOC 62a_100000730899_100000183359 [0,1,0,0,0,0|2,0,0]=3 2382 B11R0.40 CNC(=O)CSCCOCCO 62a_100000183359_100011215305 [0,1,0,0,0,0|3,0,0]=4 2383 B11R0.40 CNC(=O)CSCCOCCO 62a_100011215305_100000183359 [0,1,0,0,0,0|3,0,0]=4 2384 B11R0.40 CNC(=O)CSCOCCOC 62a_100000183359_100000231047 [0,1,0,0,0,0|3,0,0]=4 2385 B11R0.40 CNC(=O)CSCOCCOC 62a_100000231047_100000183359 [0,1,0,0,0,0|3,0,0]=4 2386 B11R0.40 CNC(=O)NCCCCCC#N 2708a_100000061152_106832991635 [0,1,0,0,0,0|2,0,1]=4 2387 B11R0.40 CNC(=O)NCCCCCC#N 2708a_100102657272_100000061152 [0,1,0,0,0,0|2,0,1]=4 2388 B11R0.40 CNC(=O)NCCCCCC#N 273464a_100000061152_100102657272 [0,1,0,0,0,0|2,0,1]=4 2389 B11R0.40 CNC(=O)NCCCCCC#N 273464a_100102657272_100000061152 [0,1,0,0,0,0|2,0,1]=4 2390 B11R0.40 CNC(=O)NCCCCCC#N 512a_100000061152_100102657272 [0,1,0,0,0,0|2,0,1]=4 2391 B11R0.40 CNC(=O)NCCCCCC#N 512a_106832991638_100000061152 [0,1,0,0,0,0|2,0,1]=4 2392 B11R0.40 CNC(=O)NCCCCCCO 2708a_100102657272_100000686447 [0,1,0,0,0,0|2,0,0]=3 2393 B11R0.40 CNC(=O)NCCCCCCO 273464a_100000686447_100102657272 [0,1,0,0,0,0|2,0,0]=3 2394 B11R0.40 CNC(=O)NCCCCCCO 273464a_100102657272_100000686447 [0,1,0,0,0,0|2,0,0]=3 2395 B11R0.40 CNC(=O)NCCCCCCO 512a_100000686447_100102657272 [0,1,0,0,0,0|2,0,0]=3 2396 B11R0.40 CNC(=O)NCCCCCCO 512a_106832991638_100000686447 [0,1,0,0,0,0|2,0,0]=3 2397 B11R0.40 CNC(=O)NCCCCCOC 2708a_100000747528_106832991635 [0,1,0,0,0,0|2,0,0]=3 2398 B11R0.40 CNC(=O)NCCCCCOC 2708a_100102657272_100000747528 [0,1,0,0,0,0|2,0,0]=3 2399 B11R0.40 CNC(=O)NCCCCCOC 273464a_100000747528_100102657272 [0,1,0,0,0,0|2,0,0]=3 2400 B11R0.40 CNC(=O)NCCCCCOC 273464a_100102657272_100000747528 [0,1,0,0,0,0|2,0,0]=3 2401 B11R0.40 CNC(=O)NCCCCCOC 512a_100000747528_100102657272 [0,1,0,0,0,0|2,0,0]=3 2402 B11R0.40 CNC(=O)NCCCCCOC 512a_106832991638_100000747528 [0,1,0,0,0,0|2,0,0]=3 2403 B11R0.40 CNC(=O)NCCNCCCF 34a_100015205895_100011934791 [0,1,0,0,0,0|3,0,0]=4 2404 B11R0.40 CNC(=O)NCCNCCCO 34a_100015205895_100000230001 [0,1,0,0,0,0|3,0,0]=4 2405 B11R0.40 CNC(=O)NCCNCCOC 34a_100015205895_100011201679 [0,1,0,0,0,0|3,0,0]=4 2406 B11R0.40 CNC(=O)NCCNCCSC 34a_100015205895_100000212216 [0,1,0,0,0,0|3,0,0]=4 2407 B11R0.40 CNC(=O)NCCOCCOC 2708a_100000745349_106832991635 [0,1,0,0,0,0|3,0,0]=4 2408 B11R0.40 CNC(=O)NCCOCCOC 2708a_100102657272_100000745349 [0,1,0,0,0,0|3,0,0]=4 2409 B11R0.40 CNC(=O)NCCOCCOC 273464a_100000745349_100102657272 [0,1,0,0,0,0|3,0,0]=4 2410 B11R0.40 CNC(=O)NCCOCCOC 273464a_100102657272_100000745349 [0,1,0,0,0,0|3,0,0]=4 2411 B11R0.40 CNC(=O)NCCOCCOC 512a_100000745349_100102657272 [0,1,0,0,0,0|3,0,0]=4 2412 B11R0.40 CNC(=O)OCCNCCCF 34a_100015189416_200011997002 [0,1,0,0,0,0|3,0,0]=4 2413 B11R0.40 CNC(=O)OCCOCCCBr 34a_100011217188_200011997002 [0,1,0,0,0,0|3,0,0]=4 2414 B11R0.40 CNC(=O)OCCOCCCCl 34a_100000230001_200011997002 [0,1,0,0,0,0|3,0,0]=4 2415 B11R0.40 CNC(=O)OCCOCCCF 34a_100000759539_200011997002 [0,1,0,0,0,0|3,0,0]=4 2416 B11R0.40 CNC(=O)OCCOCCCN 34a_100000182051_200011997002 [0,1,0,0,0,0|3,0,0]=4 2417 B11R0.40 CNC(=O)OCCOCCOC 34a_100000210237_200011997002 [0,1,0,0,0,0|3,0,0]=4 2418 B11R0.40 CNC(=O)OCCOCCSC 34a_100000230434_200011997002 [0,1,0,0,0,0|3,0,0]=4 2419 B11R0.40 CNC(=O)OCCOCCSC 7a_100000230434_200011997002 [0,1,0,0,0,0|3,0,0]=4 2420 B11R0.40 CNC(=O)OCCSCCCF 62a_100011934791_200011997002 [0,1,0,0,0,0|3,0,0]=4 2421 B11R0.40 CNC(=O)OCCSCCCF 62a_200011997002_100011934791 [0,1,0,0,0,0|3,0,0]=4 2422 B11R0.40 CNC(=O)OCCSCCCO 62a_100011215043_200011997002 [0,1,0,0,0,0|3,0,0]=4 2423 B11R0.40 CNC(=O)OCCSCCCO 62a_200011997002_100011215043 [0,1,0,0,0,0|3,0,0]=4 2424 B11R0.40 CNC(=O)OCCSCCOC 62a_100000233755_200011997002 [0,1,0,0,0,0|3,0,0]=4 2425 B11R0.40 CNC(=O)OCCSCCOC 62a_200011997002_100000233755 [0,1,0,0,0,0|3,0,0]=4 2426 B11R0.40 CNC(=O)OCCSCCSC 62a_100000212216_200011997002 [0,1,0,0,0,0|3,0,0]=4 2427 B11R0.40 CNC(=O)OCCSCCSC 62a_200011997002_100000751147 [0,1,0,0,0,0|3,0,0]=4 2428 B11R0.40 CNCCCCCCC(=O)OC 2230a_106832991635_100009815986 [0,1,0,0,0,0|2,0,0]=3 2429 B11R0.40 CNCCCCCCC(=O)OC 34a_100102657272_100009815986 [0,1,0,0,0,0|2,0,0]=3 2430 B11R0.40 CNCCCCCCC(=O)OC 7a_106832991635_100009815986 [0,1,0,0,0,0|2,0,0]=3 2431 B11R0.40 CNCCCOCCC(=O)NC 34a_100000213112_100012179268 [0,1,0,0,0,0|2,0,0]=3 2432 B11R0.40 CNCCCOCCC(=O)OC 34a_100000213112_100000742370 [0,1,0,0,0,0|3,0,0]=4 2433 B11R0.40 COC(=O)CCCCCCO[13CH3] 34a_100009863599_200025704644 [0,1,0,0,0,0|2,0,0]=3 2434 B11R0.40 COC(=O)CCCCCCO[13CH3] 7a_100009863599_200025704644 [0,1,0,0,0,0|2,0,0]=3 2435 B11R0.40 COC(=O)CCCCCCSC 62a_100009815986_200000210301 [0,1,0,0,0,0|2,0,0]=3 2436 B11R0.40 COC(=O)CCCCCCSC 62a_200000210301_100009815986 [0,1,0,0,0,0|2,0,0]=3 2437 B11R0.40 COC(=O)CCCCCCS[13CH3] 62a_100009815986_200025704644 [0,1,0,0,0,0|2,0,0]=3 2438 B11R0.40 COC(=O)CCCCCCS[13CH3] 62a_200025704644_100009815986 [0,1,0,0,0,0|2,0,0]=3 2439 B11R0.40 COC(=O)CCCCCOCF 34a_100000074720_100015361967 [0,1,0,0,0,0|3,0,0]=4 2440 B11R0.40 COC(=O)CCCCCOCF 7a_100000074720_100015361967 [0,1,0,0,0,0|3,0,0]=4 2441 B11R0.40 COC(=O)CCCCCSCF 62a_100009816466_100015361967 [0,1,0,0,0,0|3,0,0]=4 2442 B11R0.40 COC(=O)CCCCCSCF 62a_100015361967_100009816466 [0,1,0,0,0,0|3,0,0]=4 2443 B11R0.40 COC(=O)CCCCNCCF 34a_100000724931_100000204269 [0,1,0,0,0,0|3,0,0]=4 2444 B11R0.40 COC(=O)CCCCNCCO 2230a_100016997473_100000204269 [0,1,0,0,0,0|3,0,0]=4 2445 B11R0.40 COC(=O)CCCCNCCO 34a_100016990907_100000204269 [0,1,0,0,0,0|3,0,0]=4 2446 B11R0.40 COC(=O)CCCCOCCBr 34a_100000211926_100000204269 [0,1,0,0,0,0|3,0,0]=4 2447 B11R0.40 COC(=O)CCCCOCCF 34a_100000059025_100011217306 [0,1,0,0,0,0|3,0,0]=4 2448 B11R0.40 COC(=O)CCCCOCCF 7a_100000059025_100011217306 [0,1,0,0,0,0|3,0,0]=4 2449 B11R0.40 COC(=O)CCCCOCCN 34a_100000210304_100000204269 [0,1,0,0,0,0|3,0,0]=4 2450 B11R0.40 COC(=O)CCCCOCCO 34a_100000059025_100000211926 [0,1,0,0,0,0|3,0,0]=4 2451 B11R0.40 COC(=O)CCCCOCCO 7a_100000059025_100000211926 [0,1,0,0,0,0|3,0,0]=4 2452 B11R0.40 COC(=O)CCCCOCSC 34a_100000059025_100011218213 [0,1,0,0,0,0|3,0,0]=4 2453 B11R0.40 COC(=O)CCCCSCCF 62a_100000204269_100011217306 [0,1,0,0,0,0|3,0,0]=4 2454 B11R0.40 COC(=O)CCCCSCCF 62a_100011217306_100000204269 [0,1,0,0,0,0|3,0,0]=4 2455 B11R0.40 COC(=O)CCCCSCCO 62a_100000204269_100000211926 [0,1,0,0,0,0|3,0,0]=4 2456 B11R0.40 COC(=O)CCCCSCCO 62a_100000211926_100000204269 [0,1,0,0,0,0|3,0,0]=4 2457 B11R0.40 COC(=O)CCCCSCSC 62a_100000204269_100011218213 [0,1,0,0,0,0|3,0,0]=4 2458 B11R0.40 COC(=O)CCCCSCSC 62a_100011218213_100000204269 [0,1,0,0,0,0|3,0,0]=4 2459 B11R0.40 COC(=O)CCCNCCCF 2230a_100015189416_100011218270 [0,1,0,0,0,0|3,0,0]=4 2460 B11R0.40 COC(=O)CCCNCCCF 34a_100015189416_100000742333 [0,1,0,0,0,0|3,0,0]=4 2461 B11R0.40 COC(=O)CCCNCCSC 2230a_100020590264_100011218270 [0,1,0,0,0,0|3,0,0]=4 2462 B11R0.40 COC(=O)CCCOCCCBr 34a_100011217188_100000742333 [0,1,0,0,0,0|3,0,0]=4 2463 B11R0.40 COC(=O)CCCOCCCCl 34a_100000230001_100000742333 [0,1,0,0,0,0|3,0,0]=4 2464 B11R0.40 COC(=O)CCCOCCCF 34a_100000759539_100000742333 [0,1,0,0,0,0|3,0,0]=4 2465 B11R0.40 COC(=O)CCCOCCCN 34a_100000182051_100000742333 [0,1,0,0,0,0|3,0,0]=4 2466 B11R0.40 COC(=O)CCCOCCSC 34a_100000230434_100000742333 [0,1,0,0,0,0|3,0,0]=4 2467 B11R0.40 COC(=O)CCCOCCSC 7a_100000230434_100011218270 [0,1,0,0,0,0|3,0,0]=4 2468 B11R0.40 COC(=O)CCCSCCCF 62a_100011218270_100011934791 [0,1,0,0,0,0|3,0,0]=4 2469 B11R0.40 COC(=O)CCCSCCCF 62a_100011934791_100011218270 [0,1,0,0,0,0|3,0,0]=4 2470 B11R0.40 COC(=O)CCCSCCCO 62a_100011215043_100011218270 [0,1,0,0,0,0|3,0,0]=4 2471 B11R0.40 COC(=O)CCCSCCCO 62a_100011218270_100011215043 [0,1,0,0,0,0|3,0,0]=4 2472 B11R0.40 COC(=O)CCCSCCSC 62a_100000212216_100011218270 [0,1,0,0,0,0|3,0,0]=4 2473 B11R0.40 COC(=O)CCCSCCSC 62a_100011218270_100000751147 [0,1,0,0,0,0|3,0,0]=4 2474 B11R0.40 COC(=O)CCNCCCCO 2230a_100000750430_100000204255 [0,1,0,0,0,0|3,0,0]=4 2475 B11R0.40 COC(=O)CCNCCCCO 34a_100000750430_100000742370 [0,1,0,0,0,0|3,0,0]=4 2476 B11R0.40 COC(=O)CCNCCCSC 2230a_100000749238_100000204255 [0,1,0,0,0,0|3,0,0]=4 2477 B11R0.40 COC(=O)CCOCCCCBr 34a_100011216708_100000742370 [0,1,0,0,0,0|3,0,0]=4 2478 B11R0.40 COC(=O)CCOCCCCCl 34a_100000210776_100000742370 [0,1,0,0,0,0|3,0,0]=4 2479 B11R0.40 COC(=O)CCOCCCCCl 7a_100000210776_100000204255 [0,1,0,0,0,0|3,0,0]=4 2480 B11R0.40 COC(=O)CCOCCCCF 34a_100011995726_100000742370 [0,1,0,0,0,0|3,0,0]=4 2481 B11R0.40 COC(=O)CCOCCCCF 7a_100011995726_100000204255 [0,1,0,0,0,0|3,0,0]=4 2482 B11R0.40 COC(=O)CCOCCCCI 34a_200012148704_100000742370 [0,1,0,0,0,0|3,0,0]=4 2483 B11R0.40 COC(=O)CCOCCCCN 34a_100000750430_100000742370 [0,1,0,0,0,0|3,0,0]=4 2484 B11R0.40 COC(=O)CCOCCCSC 34a_100000690336_100000742370 [0,1,0,0,0,0|3,0,0]=4 2485 B11R0.40 COC(=O)CCOCCCSC 7a_100000690336_100000204255 [0,1,0,0,0,0|3,0,0]=4 2486 B11R0.40 COC(=O)CCSCCCCF 62a_100000204255_100000729493 [0,1,0,0,0,0|3,0,0]=4 2487 B11R0.40 COC(=O)CCSCCCCF 62a_100000729493_100000204255 [0,1,0,0,0,0|3,0,0]=4 2488 B11R0.40 COC(=O)CCSCCCCO 62a_100000204255_100000210776 [0,1,0,0,0,0|3,0,0]=4 2489 B11R0.40 COC(=O)CCSCCCCO 62a_100000210776_100000204255 [0,1,0,0,0,0|3,0,0]=4 2490 B11R0.40 COC(=O)CNCCCCCO 2230a_100000762737_100000747449 [0,1,0,0,0,0|3,0,0]=4 2491 B11R0.40 COC(=O)CNCCCCCO 34a_100000762737_100000747449 [0,1,0,0,0,0|3,0,0]=4 2492 B11R0.40 COC(=O)COCCCCCBr 34a_100000746331_100000747449 [0,1,0,0,0,0|3,0,0]=4 2493 B11R0.40 COC(=O)COCCCCCBr 7a_100000746331_100000747449 [0,1,0,0,0,0|3,0,0]=4 2494 B11R0.40 COC(=O)COCCCCCCl 34a_100000746330_100000747449 [0,1,0,0,0,0|3,0,0]=4 2495 B11R0.40 COC(=O)COCCCCCCl 7a_100000746330_100000747449 [0,1,0,0,0,0|3,0,0]=4 2496 B11R0.40 COC(=O)COCCCCCI 34a_200012148887_100000747449 [0,1,0,0,0,0|3,0,0]=4 2497 B11R0.40 COC(=O)COCCCCCI 7a_200012148887_100000747449 [0,1,0,0,0,0|3,0,0]=4 2498 B11R0.40 COC(=O)COCCCCCN 34a_100000762737_100000747449 [0,1,0,0,0,0|3,0,0]=4 2499 B11R0.40 COC(=O)COCCCCSC 34a_100011217163_100000747449 [0,1,0,0,0,0|3,0,0]=4 2500 B11R0.40 COC(=O)COCCCCSC 7a_100011217163_100000747449 [0,1,0,0,0,0|3,0,0]=4 2501 B11R0.40 COC(=O)CSCCCCCF 62a_100000729378_100000747449 [0,1,0,0,0,0|3,0,0]=4 2502 B11R0.40 COC(=O)CSCCCCCF 62a_100000747449_100000729378 [0,1,0,0,0,0|3,0,0]=4 2503 B11R0.40 COC(=O)CSCCCCCO 62a_100000746330_100000747449 [0,1,0,0,0,0|3,0,0]=4 2504 B11R0.40 COC(=O)CSCCCCCO 62a_100000747449_100000746330 [0,1,0,0,0,0|3,0,0]=4 2505 B11R0.40 COCCCCCCC(=O)CO 1458a_100000210174_100011998445 [0,1,0,0,0,0|1,0,0]=2 2506 B11R0.40 COCCCCCCC(=O)OC 34a_100009863599_200000210301 [0,1,0,0,0,0|2,0,0]=3 2507 B11R0.40 COCCCCCCC(=O)OC 34a_100138415774_100009815986 [0,1,0,0,0,0|2,0,0]=3 2508 B11R0.40 COCCCCCCC(=O)OC 7a_100009863599_200000210301 [0,1,0,0,0,0|2,0,0]=3 2509 B11R0.40 COCCCCCNC(=O)CO 240690a_100000747528_100000210174 [0,1,0,0,0,0|2,0,0]=3 2510 B11R0.40 COCCCCCNC(=O)CO 527a_100000747528_100000210174 [0,1,0,0,0,0|2,0,0]=3 2511 B11R0.40 COCCCCOCC(=O)OC 34a_100000740925_100000747449 [0,1,0,0,0,0|3,0,0]=4 2512 B11R0.40 COCCCCSCC(=O)OC 62a_100000730899_100000747449 [0,1,0,0,0,0|3,0,0]=4 2513 B11R0.40 COCCCCSCC(=O)OC 62a_100000747449_100000730899 [0,1,0,0,0,0|3,0,0]=4 2514 B11R0.40 COCCCNCCC(=O)OC 34a_100150723488_100000742370 [0,1,0,0,0,0|3,0,0]=4 2515 B11R0.40 COCCCOCCC(=NO)N 34a_100000749954_100000740836 [0,1,0,0,0,0|2,0,1]=4 2516 B11R0.40 COCCCOCCC(=O)OC 34a_100000740835_100000742370 [0,1,0,0,0,0|3,0,0]=4 2517 B11R0.40 COCCCSCCC(=O)OC 62a_100000204255_100000709357 [0,1,0,0,0,0|3,0,0]=4 2518 B11R0.40 COCCCSCCC(=O)OC 62a_100000709357_100000204255 [0,1,0,0,0,0|3,0,0]=4 2519 B11R0.40 COCCNCCCC(=O)OC 2230a_100000209980_100011218270 [0,1,0,0,0,0|3,0,0]=4 2520 B11R0.40 COCCOCCCC(=O)CO 1458a_100000210174_100011216529 [0,1,0,0,0,0|2,0,0]=3 2521 B11R0.40 COCCOCCCC(=O)NN 34a_100000211488_100011201679 [0,1,0,0,0,0|2,0,0]=3 2522 B11R0.40 COCCOCCCC(=O)OC 34a_100000210237_100000742333 [0,1,0,0,0,0|3,0,0]=4 2523 B11R0.40 COCCOCCNC(=O)CO 240690a_100000745349_100000210174 [0,1,0,0,0,0|3,0,0]=4 2524 B11R0.40 COCCOCCNC(=O)CO 527a_100000745349_100000210174 [0,1,0,0,0,0|3,0,0]=4 2525 B11R0.40 COCCSCCCC(=O)OC 62a_100000233755_100011218270 [0,1,0,0,0,0|3,0,0]=4 2526 B11R0.40 COCCSCCCC(=O)OC 62a_100011218270_100000233755 [0,1,0,0,0,0|3,0,0]=4 2527 B11R0.40 COCSCCCCC(=O)OC 62a_100000204269_100000766300 [0,1,0,0,0,0|3,0,0]=4 2528 B11R0.40 COCSCCCCC(=O)OC 62a_100000766300_100000204269 [0,1,0,0,0,0|3,0,0]=4 2529 B11R0.40 CSCCOCCCC(=O)NN 34a_100000211488_100000212216 [0,1,0,0,0,0|2,0,0]=3 2530 B11R0.40 N#CCCCCCCC(=O)CO 1458a_100000210174_100009813337 [0,1,0,0,0,0|1,0,1]=3 2531 B11R0.40 N#CCCCCCNC(=O)CO 240690a_100000061152_100000210174 [0,1,0,0,0,0|2,0,1]=4 2532 B11R0.40 N#CCCCCCNC(=O)CO 527a_100000061152_100000210174 [0,1,0,0,0,0|2,0,1]=4 2533 B11R0.40 NC(=NO)CCOCCCCF 34a_100000749954_100000729493 [0,1,0,0,0,0|2,0,1]=4 2534 B11R0.40 NC(=NO)CCOCCCCO 34a_100000749954_100011216708 [0,1,0,0,0,0|2,0,1]=4 2535 B11R0.40 NNC(=O)CCCOCCCF 34a_100000211488_100011934791 [0,1,0,0,0,0|2,0,0]=3 2536 B11R0.40 NNC(=O)CCCOCCCO 34a_100000211488_100000230001 [0,1,0,0,0,0|2,0,0]=3 2537 B11R0.40 O=C(CF)CCCCCCCO 1458a_100011219782_100015361967 [0,1,0,0,0,0|2,0,0]=3 2538 B11R0.40 O=C(CO)CCCCCCCO 1458a_100000210174_100000760002 [0,1,0,0,0,0|1,0,0]=2 2539 B11R0.40 O=C(CO)NCCCCCCO 240690a_100000686447_100000210174 [0,1,0,0,0,0|2,0,0]=3 2540 B11R0.40 O=C(CO)NCCCCCCO 527a_100000686447_100000210174 [0,1,0,0,0,0|2,0,0]=3 2541 B11R0.42 C#CCCCCCC(=O)C(O)O 1458a_100000233687_100012094781 [0,1,0,0,0,0|1,0,2]=4 2542 B11R0.42 C#CCCCCCC(=O)N(C)C 11a_100102631434_100000694772 [0,1,0,0,0,0|1,0,2]=4 2543 B11R0.42 C#CCCCCCC(=O)N(C)C 1626a_100102631434_100000694772 [0,1,0,0,0,0|1,0,2]=4 2544 B11R0.42 C#CCCCCCC(=O)N(C)C 240690a_100102631434_100000694772 [0,1,0,0,0,0|1,0,2]=4 2545 B11R0.42 C#CCCCCCC(=O)N(C)C 527a_100102631434_100000694772 [0,1,0,0,0,0|1,0,2]=4 2546 B11R0.42 C#CCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100012094781 [0,1,0,0,0,0|1,0,2]=4 2547 B11R0.42 C#CCCCCCC(=O)[C@H](C)O 1458a_217856618621_100012094781 [0,1,0,0,0,0|1,0,2]=4 2548 B11R0.42 C=C(Br)C(=O)NCCCCCC 11a_100000210581_100009813364 [0,1,0,0,0,0|3,0,0]=4 2549 B11R0.42 C=C(Br)C(=O)NCCCCCC 1626a_100000210581_100009813364 [0,1,0,0,0,0|3,0,0]=4 2550 B11R0.42 C=C(C)C(=O)CCCCCCC 1458a_100000185857_100000210614 [0,1,0,0,0,0|2,0,0]=3 2551 B11R0.42 C=C(C)C(=O)CCCCCCF 1458a_100000185857_100015922095 [0,1,0,0,0,0|3,0,0]=4 2552 B11R0.42 C=C(C)C(=O)CCCCCCO 1458a_100000185857_100000766143 [0,1,0,0,0,0|3,0,0]=4 2553 B11R0.42 C=C(C)C(=O)CCOCCCC 1458a_100000185857_100000743108 [0,1,0,0,0,0|3,0,0]=4 2554 B11R0.42 C=C(C)C(=O)NCCCCCC 11a_100000210581_100000185857 [0,1,0,0,0,0|3,0,0]=4 2555 B11R0.42 C=C(C)C(=O)NCCCCCC 1626a_100000210581_100000185857 [0,1,0,0,0,0|3,0,0]=4 2556 B11R0.42 C=C(Cl)C(=O)NCCCCCC 11a_100000210581_100000039160 [0,1,0,0,0,0|3,0,0]=4 2557 B11R0.42 C=C(Cl)C(=O)NCCCCCC 1626a_100000210581_100000039160 [0,1,0,0,0,0|3,0,0]=4 2558 B11R0.42 C=C(F)C(=O)NCCCCCC 11a_100000210581_100000036797 [0,1,0,0,0,0|3,0,0]=4 2559 B11R0.42 C=C(F)C(=O)NCCCCCC 1626a_100000210581_100000036797 [0,1,0,0,0,0|3,0,0]=4 2560 B11R0.42 C=CCCCCCC(=O)C(O)O 1458a_100000233687_100000700193 [0,1,0,0,0,0|1,0,2]=4 2561 B11R0.42 C=CCCCCCC(=O)N(C)C 11a_100102631434_100011934241 [0,1,0,0,0,0|1,0,2]=4 2562 B11R0.42 C=CCCCCCC(=O)N(C)C 1626a_100102631434_100011934241 [0,1,0,0,0,0|1,0,2]=4 2563 B11R0.42 C=CCCCCCC(=O)N(C)C 240690a_100102631434_100011934241 [0,1,0,0,0,0|1,0,2]=4 2564 B11R0.42 C=CCCCCCC(=O)N(C)C 527a_100102631434_100011934241 [0,1,0,0,0,0|1,0,2]=4 2565 B11R0.42 C=CCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000700193 [0,1,0,0,0,0|1,0,2]=4 2566 B11R0.42 C=CCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000700193 [0,1,0,0,0,0|1,0,2]=4 2567 B11R0.42 CC(C)C(=O)CCCCCCF 1458a_100000210198_100015922095 [0,1,0,0,0,0|3,0,0]=4 2568 B11R0.42 CC(C)C(=O)CCCCCCO 1458a_100000210198_100000766143 [0,1,0,0,0,0|3,0,0]=4 2569 B11R0.42 CC(C)C(=O)CCCCCCO 1458a_100011996774_100000210206 [0,1,0,0,0,0|3,0,0]=4 2570 B11R0.42 CC(F)C(=O)CCCCCCF 1458a_100000062450_100015922095 [0,1,0,0,0,0|3,0,0]=4 2571 B11R0.42 CC(F)C(=O)CCCCCCO 1458a_100000062450_100000766143 [0,1,0,0,0,0|3,0,0]=4 2572 B11R0.42 CCCC/C=C/CC(=O)N(C)C 11a_100102631434_200016282684 [0,1,0,0,0,0|1,0,2]=4 2573 B11R0.42 CCCC/C=C/CC(=O)N(C)C 1626a_100102631434_200016282684 [0,1,0,0,0,0|1,0,2]=4 2574 B11R0.42 CCCC/C=C/CC(=O)N(C)C 240690a_100102631434_200016282684 [0,1,0,0,0,0|1,0,2]=4 2575 B11R0.42 CCCC/C=C/CC(=O)N(C)C 527a_100102631434_200016282684 [0,1,0,0,0,0|1,0,2]=4 2576 B11R0.42 CCCCCC#CC(=O)N(C)C 240690a_100102631434_100011215388 [0,1,0,0,0,0|1,0,2]=4 2577 B11R0.42 CCCCCC=CC(=O)N(C)C 11a_100102631434_100016263427 [0,1,0,0,0,0|1,0,2]=4 2578 B11R0.42 CCCCCC=CC(=O)N(C)C 1626a_100102631434_100016263427 [0,1,0,0,0,0|1,0,2]=4 2579 B11R0.42 CCCCCC=CC(=O)N(C)C 240690a_100102631434_100016263427 [0,1,0,0,0,0|1,0,2]=4 2580 B11R0.42 CCCCCCCC(=O)C(C)C 1458a_100000210198_100000210614 [0,1,0,0,0,0|2,0,0]=3 2581 B11R0.42 CCCCCCCC(=O)C(C)C 1458a_100000211969_100000210206 [0,1,0,0,0,0|2,0,0]=3 2582 B11R0.42 CCCCCCCC(=O)C(C)F 1458a_100000062450_100000210614 [0,1,0,0,0,0|2,0,0]=3 2583 B11R0.42 CCCCCCCC(=O)C(O)O 1458a_100000233687_100000210614 [0,1,0,0,0,0|1,0,0]=2 2584 B11R0.42 CCCCCCCC(=O)N(C)C 11a_100102631434_100000211969 [0,1,0,0,0,0|1,0,0]=2 2585 B11R0.42 CCCCCCCC(=O)N(C)C 1626a_100102631434_100000211969 [0,1,0,0,0,0|1,0,0]=2 2586 B11R0.42 CCCCCCCC(=O)N(C)C 240690a_100102631434_100000211969 [0,1,0,0,0,0|1,0,0]=2 2587 B11R0.42 CCCCCCCC(=O)N(C)C 527a_100102631434_100000211969 [0,1,0,0,0,0|1,0,0]=2 2588 B11R0.42 CCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210614 [0,1,0,0,0,0|1,0,0]=2 2589 B11R0.42 CCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210614 [0,1,0,0,0,0|1,0,0]=2 2590 B11R0.42 CCCCCCCC(C)N(C)C 2230a_100102631434_200011218727 [0,1,0,0,0,0|2,0,1]=4 2591 B11R0.42 CCCCCCCC(C)N(C)C 269982a_100102631434_200011218727 [0,1,0,0,0,0|2,0,1]=4 2592 B11R0.42 CCCCCCCC(C)N(C)C 270004a_100102631434_100000210596 [0,1,0,0,0,0|2,0,1]=4 2593 B11R0.42 CCCCCCNC(=O)C(=O)N 240690a_100000210581_100011215815 [0,1,0,0,0,0|2,0,1]=4 2594 B11R0.42 CCCCCCNC(=O)C(C)C 11a_100000210581_100000210198 [0,1,0,0,0,0|3,0,0]=4 2595 B11R0.42 CCCCCCNC(=O)C(C)C 1626a_100000210581_100000210198 [0,1,0,0,0,0|3,0,0]=4 2596 B11R0.42 CCCCCCNC(=O)C(C)C 240690a_100000210581_100000210198 [0,1,0,0,0,0|3,0,0]=4 2597 B11R0.42 CCCCCCNC(=O)C(C)C 527a_100000210581_100000210198 [0,1,0,0,0,0|3,0,0]=4 2598 B11R0.42 CCCCCCNC(=O)C(C)F 11a_100000210581_100000062450 [0,1,0,0,0,0|3,0,0]=4 2599 B11R0.42 CCCCCCNC(=O)C(C)F 1626a_100000210581_100000062450 [0,1,0,0,0,0|3,0,0]=4 2600 B11R0.42 CCCCCCNC(=O)C(C)F 240690a_100000210581_100000062450 [0,1,0,0,0,0|3,0,0]=4 2601 B11R0.42 CCCCCCNC(=O)C(C)F 527a_100000210581_100000062450 [0,1,0,0,0,0|3,0,0]=4 2602 B11R0.42 CCCCCCNC(=O)C(F)F 11a_100000210581_100000210393 [0,1,0,0,0,0|3,0,0]=4 2603 B11R0.42 CCCCCCNC(=O)C(F)F 1626a_100000210581_100000210393 [0,1,0,0,0,0|3,0,0]=4 2604 B11R0.42 CCCCCCNC(=O)C(F)F 240690a_100000210581_100000210393 [0,1,0,0,0,0|3,0,0]=4 2605 B11R0.42 CCCCCCNC(=O)C(F)F 527a_100000210581_100000210393 [0,1,0,0,0,0|3,0,0]=4 2606 B11R0.42 CCCCCCNC(=O)C(O)O 240690a_100000210581_100000233687 [0,1,0,0,0,0|2,0,0]=3 2607 B11R0.42 CCCCCCNC(=O)N(C)C 2708a_100000210581_100102631434 [0,1,0,0,0,0|2,0,0]=3 2608 B11R0.42 CCCCCCNC(=O)[C@@H](C)O 240690a_100000210581_100000717761 [0,1,0,0,0,0|2,0,0]=3 2609 B11R0.42 CCCCCCNC(=O)[C@H](C)O 1626a_100000210581_217856618621 [0,1,0,0,0,0|2,0,0]=3 2610 B11R0.42 CCCCCCNC(=O)[C@H](C)O 240690a_100000210581_217856618621 [0,1,0,0,0,0|2,0,0]=3 2611 B11R0.42 CCCCCNCC(=O)C(C)C 2230a_100000209983_100000753385 [0,1,0,0,0,0|3,0,0]=4 2612 B11R0.42 CCCCCNCC(=O)N(C)C 2230a_100000209983_100000185267 [0,1,0,0,0,0|2,0,0]=3 2613 B11R0.42 CCCCCNCC(=O)N(C)C 2230a_100015183351_100000210326 [0,1,0,0,0,0|2,0,0]=3 2614 B11R0.42 CCCCCNNC(=O)C(O)O 22a_100000694160_100000233687 [0,1,0,0,0,0|3,0,0]=4 2615 B11R0.42 CCCCCNNC(=O)[C@@H](C)O 22a_100000694160_100000717761 [0,1,0,0,0,0|3,0,0]=4 2616 B11R0.42 CCCCCNNC(=O)[C@H](C)O 22a_100000694160_217856618621 [0,1,0,0,0,0|3,0,0]=4 2617 B11R0.42 CCCCCOCC(=O)C(=O)C 34a_100000210253_100011261029 [0,1,0,0,0,0|2,0,1]=4 2618 B11R0.42 CCCCCOCC(=O)C(C)C 34a_100000210253_100000753385 [0,1,0,0,0,0|3,0,0]=4 2619 B11R0.42 CCCCCOCC(=O)C(C)C 7a_100000210253_100000753385 [0,1,0,0,0,0|3,0,0]=4 2620 B11R0.42 CCCCCOCC(=O)N(C)C 34a_100000210253_100000692301 [0,1,0,0,0,0|2,0,0]=3 2621 B11R0.42 CCCCCOCC(=O)N(C)C 7a_100000210253_100000692301 [0,1,0,0,0,0|2,0,0]=3 2622 B11R0.42 CCCCCSCC(=O)C(=O)C 62a_100000210326_100011261029 [0,1,0,0,0,0|2,0,1]=4 2623 B11R0.42 CCCCCSCC(=O)C(=O)C 62a_100011261029_100000210326 [0,1,0,0,0,0|2,0,1]=4 2624 B11R0.42 CCCCCSCC(=O)C(C)C 62a_100000210326_100000753385 [0,1,0,0,0,0|3,0,0]=4 2625 B11R0.42 CCCCCSCC(=O)C(C)C 62a_100000753385_100000210326 [0,1,0,0,0,0|3,0,0]=4 2626 B11R0.42 CCCCCSCC(=O)N(C)C 62a_100000210326_100000692301 [0,1,0,0,0,0|2,0,0]=3 2627 B11R0.42 CCCCCSCC(=O)N(C)C 62a_100000692301_100000210326 [0,1,0,0,0,0|2,0,0]=3 2628 B11R0.42 CCCCNCCC(=O)N(C)C 2230a_100000102301_100000737620 [0,1,0,0,0,0|2,0,0]=3 2629 B11R0.42 CCCCNCCC(=O)N(C)C 2230a_100000738053_100000210211 [0,1,0,0,0,0|2,0,0]=3 2630 B11R0.42 CCCCNCCC(=O)N(C)C 7a_106832991798_100000737620 [0,1,0,0,0,0|2,0,0]=3 2631 B11R0.42 CCCCOCCC(=O)C(C)C 1458a_100000210198_100000743108 [0,1,0,0,0,0|3,0,0]=4 2632 B11R0.42 CCCCOCCC(=O)C(C)F 1458a_100000062450_100000743108 [0,1,0,0,0,0|3,0,0]=4 2633 B11R0.42 CCCCOCCC(=O)C(O)O 1458a_100000233687_100000743108 [0,1,0,0,0,0|2,0,0]=3 2634 B11R0.42 CCCCOCCC(=O)N(C)C 34a_200000747469_100000210210 [0,1,0,0,0,0|2,0,0]=3 2635 B11R0.42 CCCCOCCC(=O)N(C)C 7a_100000210227_100000737620 [0,1,0,0,0,0|2,0,0]=3 2636 B11R0.42 CCCCOCCC(=O)[C@@H](C)O 1458a_100000717761_100000743108 [0,1,0,0,0,0|2,0,0]=3 2637 B11R0.42 CCCCOCCC(=O)[C@H](C)O 1458a_217856618621_100000743108 [0,1,0,0,0,0|2,0,0]=3 2638 B11R0.42 CCCCSCCC(=O)N(C)C 62a_100000210211_100000737620 [0,1,0,0,0,0|2,0,0]=3 2639 B11R0.42 CCCCSCCC(=O)N(C)C 62a_100000737620_100000210210 [0,1,0,0,0,0|2,0,0]=3 2640 B11R0.42 CCCNCCCC(=O)N(C)C 2230a_200000744827_100000210303 [0,1,0,0,0,0|2,0,0]=3 2641 B11R0.42 CCCOCCNC(=O)C(O)O 240690a_100161115042_100000233687 [0,1,0,0,0,0|3,0,0]=4 2642 B11R0.42 CCCOCCNC(=O)N(C)C 2708a_100161115042_100102631434 [0,1,0,0,0,0|3,0,0]=4 2643 B11R0.42 CCCOCCNC(=O)[C@@H](C)O 240690a_100161115042_100000717761 [0,1,0,0,0,0|3,0,0]=4 2644 B11R0.42 CCCOCCNC(=O)[C@H](C)O 1626a_100161115042_217856618621 [0,1,0,0,0,0|3,0,0]=4 2645 B11R0.42 CCCOCCNC(=O)[C@H](C)O 240690a_100161115042_217856618621 [0,1,0,0,0,0|3,0,0]=4 2646 B11R0.42 CCCSCCCC(=O)N(C)C 62a_100000210303_100000737642 [0,1,0,0,0,0|2,0,0]=3 2647 B11R0.42 CCCSCCCC(=O)N(C)C 62a_100000737642_100000210303 [0,1,0,0,0,0|2,0,0]=3 2648 B11R0.42 CCCSCCNC(=O)C(O)O 240690a_100020603323_100000233687 [0,1,0,0,0,0|3,0,0]=4 2649 B11R0.42 CCCSCCNC(=O)N(C)C 2708a_100020603323_100102631434 [0,1,0,0,0,0|3,0,0]=4 2650 B11R0.42 CCCSCCNC(=O)[C@@H](C)O 240690a_100020603323_100000717761 [0,1,0,0,0,0|3,0,0]=4 2651 B11R0.42 CCCSCCNC(=O)[C@H](C)O 240690a_100020603323_217856618621 [0,1,0,0,0,0|3,0,0]=4 2652 B11R0.42 CCOCCCCC(=O)N(C)C 34a_100121572206_100000752486 [0,1,0,0,0,0|2,0,0]=3 2653 B11R0.42 CCOCCCNC(=O)C(O)O 240690a_100000210961_100000233687 [0,1,0,0,0,0|3,0,0]=4 2654 B11R0.42 CCOCCCNC(=O)N(C)C 2708a_100000210961_100102631434 [0,1,0,0,0,0|3,0,0]=4 2655 B11R0.42 CCOCCCNC(=O)[C@@H](C)O 240690a_100000210961_100000717761 [0,1,0,0,0,0|3,0,0]=4 2656 B11R0.42 CCOCCCNC(=O)[C@H](C)O 1626a_100000210961_217856618621 [0,1,0,0,0,0|3,0,0]=4 2657 B11R0.42 CCOCCCNC(=O)[C@H](C)O 240690a_100000210961_217856618621 [0,1,0,0,0,0|3,0,0]=4 2658 B11R0.42 CCOCCNCC(=O)N(C)C 2230a_100015183351_100011215890 [0,1,0,0,0,0|3,0,0]=4 2659 B11R0.42 CCOCCNCC(=O)N(C)C 2230a_102516460346_100000185267 [0,1,0,0,0,0|3,0,0]=4 2660 B11R0.42 CCOCCNCC(=O)N(C)C 34a_102516460346_100000692301 [0,1,0,0,0,0|3,0,0]=4 2661 B11R0.42 CCOCCOCC(=O)N(C)C 34a_100000210136_100000692301 [0,1,0,0,0,0|3,0,0]=4 2662 B11R0.42 CCOCCOCC(=O)N(C)C 7a_100000210136_100000692301 [0,1,0,0,0,0|3,0,0]=4 2663 B11R0.42 CCOCCSCC(=O)N(C)C 62a_100000210147_100000692301 [0,1,0,0,0,0|3,0,0]=4 2664 B11R0.42 CCOCCSCC(=O)N(C)C 62a_100000692301_100011215890 [0,1,0,0,0,0|3,0,0]=4 2665 B11R0.42 CCOCSCCC(=O)N(C)C 62a_100000737620_100000739092 [0,1,0,0,0,0|3,0,0]=4 2666 B11R0.42 CCOCSCCC(=O)N(C)C 62a_100000739092_100000737620 [0,1,0,0,0,0|3,0,0]=4 2667 B11R0.42 CCSCCCCC(=O)N(C)C 62a_100000210202_100000752486 [0,1,0,0,0,0|2,0,0]=3 2668 B11R0.42 CCSCCCCC(=O)N(C)C 62a_100000752486_100000210202 [0,1,0,0,0,0|2,0,0]=3 2669 B11R0.42 CCSCCNCC(=O)N(C)C 2230a_100000106463_100000185267 [0,1,0,0,0,0|3,0,0]=4 2670 B11R0.42 CCSCCNCC(=O)N(C)C 2230a_100015183351_100000757381 [0,1,0,0,0,0|3,0,0]=4 2671 B11R0.42 CCSCCOCC(=O)N(C)C 34a_100000212035_100000692301 [0,1,0,0,0,0|3,0,0]=4 2672 B11R0.42 CCSCCOCC(=O)N(C)C 7a_100000212035_100000692301 [0,1,0,0,0,0|3,0,0]=4 2673 B11R0.42 CCSCCSCC(=O)N(C)C 62a_100000692301_100000757381 [0,1,0,0,0,0|3,0,0]=4 2674 B11R0.42 CCSCCSCC(=O)N(C)C 62a_100000757381_100000692301 [0,1,0,0,0,0|3,0,0]=4 2675 B11R0.42 CN(C)C(=O)CCCCCCO 240690a_100102631434_100011996774 [0,1,0,0,0,0|2,0,0]=3 2676 B11R0.42 CN(C)C(=O)CCCCSCF 62a_100000752486_100015361967 [0,1,0,0,0,0|3,0,0]=4 2677 B11R0.42 CN(C)C(=O)CCCCSCF 62a_100015361967_100000752486 [0,1,0,0,0,0|3,0,0]=4 2678 B11R0.42 CN(C)C(=O)CCCNCCF 2230a_200000744827_100011217306 [0,1,0,0,0,0|3,0,0]=4 2679 B11R0.42 CN(C)C(=O)CCCNCCO 2230a_100016997473_100000737642 [0,1,0,0,0,0|3,0,0]=4 2680 B11R0.42 CN(C)C(=O)CCCNCCO 2230a_200000744827_100000211926 [0,1,0,0,0,0|3,0,0]=4 2681 B11R0.42 CN(C)C(=O)CCCSCCF 62a_100000737642_100011217306 [0,1,0,0,0,0|3,0,0]=4 2682 B11R0.42 CN(C)C(=O)CCCSCCF 62a_100011217306_100000737642 [0,1,0,0,0,0|3,0,0]=4 2683 B11R0.42 CN(C)C(=O)CCCSCCO 62a_100000211926_100000737642 [0,1,0,0,0,0|3,0,0]=4 2684 B11R0.42 CN(C)C(=O)CCCSCCO 62a_100000737642_100000211926 [0,1,0,0,0,0|3,0,0]=4 2685 B11R0.42 CN(C)C(=O)CCNCCCF 2230a_100000738053_100011934791 [0,1,0,0,0,0|3,0,0]=4 2686 B11R0.42 CN(C)C(=O)CCNCCCF 2230a_100015189416_100000737620 [0,1,0,0,0,0|3,0,0]=4 2687 B11R0.42 CN(C)C(=O)CCNCCCO 2230a_100000738053_100000230001 [0,1,0,0,0,0|3,0,0]=4 2688 B11R0.42 CN(C)C(=O)CCOCCCF 34a_200000747469_100011934791 [0,1,0,0,0,0|3,0,0]=4 2689 B11R0.42 CN(C)C(=O)CCOCCCO 34a_200000747469_100000230001 [0,1,0,0,0,0|3,0,0]=4 2690 B11R0.42 CN(C)C(=O)CCSCCCF 62a_100000737620_100011934791 [0,1,0,0,0,0|3,0,0]=4 2691 B11R0.42 CN(C)C(=O)CCSCCCF 62a_100011934791_100000737620 [0,1,0,0,0,0|3,0,0]=4 2692 B11R0.42 CN(C)C(=O)CCSCCCO 62a_100000737620_100011215043 [0,1,0,0,0,0|3,0,0]=4 2693 B11R0.42 CN(C)C(=O)CCSCCCO 62a_100011215043_100000737620 [0,1,0,0,0,0|3,0,0]=4 2694 B11R0.42 CN(C)C(=O)CNCCCCF 2230a_100015183351_100000729493 [0,1,0,0,0,0|3,0,0]=4 2695 B11R0.42 CN(C)C(=O)CNCCCCO 2230a_100000750430_100000185267 [0,1,0,0,0,0|3,0,0]=4 2696 B11R0.42 CN(C)C(=O)CNCCCCO 2230a_100015183351_100000210776 [0,1,0,0,0,0|3,0,0]=4 2697 B11R0.42 CN(C)C(=O)CNCCCCO 34a_100000750430_100000692301 [0,1,0,0,0,0|3,0,0]=4 2698 B11R0.42 CN(C)C(=O)COCCCCBr 34a_100011216708_100000692301 [0,1,0,0,0,0|3,0,0]=4 2699 B11R0.42 CN(C)C(=O)COCCCCCl 34a_100000210776_100000692301 [0,1,0,0,0,0|3,0,0]=4 2700 B11R0.42 CN(C)C(=O)COCCCCCl 7a_100000210776_100000692301 [0,1,0,0,0,0|3,0,0]=4 2701 B11R0.42 CN(C)C(=O)COCCCCF 34a_100011995726_100000692301 [0,1,0,0,0,0|3,0,0]=4 2702 B11R0.42 CN(C)C(=O)COCCCCF 7a_100011995726_100000692301 [0,1,0,0,0,0|3,0,0]=4 2703 B11R0.42 CN(C)C(=O)COCCCCI 34a_200012148704_100000692301 [0,1,0,0,0,0|3,0,0]=4 2704 B11R0.42 CN(C)C(=O)COCCCCN 34a_100000750430_100000692301 [0,1,0,0,0,0|3,0,0]=4 2705 B11R0.42 CN(C)C(=O)CSCCCCF 62a_100000692301_100000729493 [0,1,0,0,0,0|3,0,0]=4 2706 B11R0.42 CN(C)C(=O)CSCCCCF 62a_100000729493_100000692301 [0,1,0,0,0,0|3,0,0]=4 2707 B11R0.42 CN(C)C(=O)CSCCCCO 62a_100000210776_100000692301 [0,1,0,0,0,0|3,0,0]=4 2708 B11R0.42 CN(C)C(=O)CSCCCCO 62a_100000692301_100000210776 [0,1,0,0,0,0|3,0,0]=4 2709 B11R0.42 CNCCCOCC(=O)N(C)C 34a_100000213112_100000692301 [0,1,0,0,0,0|3,0,0]=4 2710 B11R0.42 COCCCCCC(=O)C(C)C 1458a_100011935119_100000210206 [0,1,0,0,0,0|3,0,0]=4 2711 B11R0.42 COCCCCCC(=O)N(C)C 11a_100102631434_100011935119 [0,1,0,0,0,0|2,0,0]=3 2712 B11R0.42 COCCCCCC(=O)N(C)C 1626a_100102631434_100011935119 [0,1,0,0,0,0|2,0,0]=3 2713 B11R0.42 COCCCCCC(=O)N(C)C 240690a_100102631434_100011935119 [0,1,0,0,0,0|2,0,0]=3 2714 B11R0.42 COCCCCCC(=O)N(C)C 527a_100102631434_100011935119 [0,1,0,0,0,0|2,0,0]=3 2715 B11R0.42 COCCCNCC(=O)N(C)C 2230a_100015183351_100000740836 [0,1,0,0,0,0|3,0,0]=4 2716 B11R0.42 COCCCNCC(=O)N(C)C 34a_100150723488_100000692301 [0,1,0,0,0,0|3,0,0]=4 2717 B11R0.42 COCCCOCC(=O)N(C)C 34a_100000740835_100000692301 [0,1,0,0,0,0|3,0,0]=4 2718 B11R0.42 COCCCSCC(=O)N(C)C 62a_100000692301_100000709357 [0,1,0,0,0,0|3,0,0]=4 2719 B11R0.42 COCCCSCC(=O)N(C)C 62a_100000709357_100000692301 [0,1,0,0,0,0|3,0,0]=4 2720 B11R0.42 COCCNCCC(=O)N(C)C 2230a_100000209980_100000737620 [0,1,0,0,0,0|3,0,0]=4 2721 B11R0.42 COCCNCCC(=O)N(C)C 2230a_100000738053_100011201679 [0,1,0,0,0,0|3,0,0]=4 2722 B11R0.42 COCCOCCC(=O)C(O)O 1458a_100000233687_100000695917 [0,1,0,0,0,0|3,0,0]=4 2723 B11R0.42 COCCOCCC(=O)N(C)C 11a_100102631434_100000745395 [0,1,0,0,0,0|3,0,0]=4 2724 B11R0.42 COCCOCCC(=O)N(C)C 1626a_100102631434_100000745395 [0,1,0,0,0,0|3,0,0]=4 2725 B11R0.42 COCCOCCC(=O)N(C)C 240690a_100102631434_100000745395 [0,1,0,0,0,0|3,0,0]=4 2726 B11R0.42 COCCOCCC(=O)N(C)C 34a_200000747469_100011201679 [0,1,0,0,0,0|3,0,0]=4 2727 B11R0.42 COCCOCCC(=O)N(C)C 527a_100102631434_100000745395 [0,1,0,0,0,0|3,0,0]=4 2728 B11R0.42 COCCOCCC(=O)[C@@H](C)O 1458a_100000717761_100000695917 [0,1,0,0,0,0|3,0,0]=4 2729 B11R0.42 COCCOCCC(=O)[C@H](C)O 1458a_217856618621_100000695917 [0,1,0,0,0,0|3,0,0]=4 2730 B11R0.42 COCCSCCC(=O)N(C)C 62a_100000233755_100000737620 [0,1,0,0,0,0|3,0,0]=4 2731 B11R0.42 COCCSCCC(=O)N(C)C 62a_100000737620_100000233755 [0,1,0,0,0,0|3,0,0]=4 2732 B11R0.42 COCNCCCC(=O)N(C)C 2230a_200000744827_100000766300 [0,1,0,0,0,0|3,0,0]=4 2733 B11R0.42 COCSCCCC(=O)N(C)C 62a_100000737642_100000766300 [0,1,0,0,0,0|3,0,0]=4 2734 B11R0.42 COCSCCCC(=O)N(C)C 62a_100000766300_100000737642 [0,1,0,0,0,0|3,0,0]=4 2735 B11R0.42 CSCCCNCC(=O)N(C)C 2230a_100000749238_100000185267 [0,1,0,0,0,0|3,0,0]=4 2736 B11R0.42 CSCCCOCC(=O)N(C)C 34a_100000690336_100000692301 [0,1,0,0,0,0|3,0,0]=4 2737 B11R0.42 CSCCCOCC(=O)N(C)C 7a_100000690336_100000692301 [0,1,0,0,0,0|3,0,0]=4 2738 B11R0.42 CSCCNCCC(=O)N(C)C 2230a_100000738053_100000751147 [0,1,0,0,0,0|3,0,0]=4 2739 B11R0.42 CSCCNCCC(=O)N(C)C 2230a_100020590264_100000737620 [0,1,0,0,0,0|3,0,0]=4 2740 B11R0.42 CSCCOCCC(=O)N(C)C 34a_200000747469_100000212216 [0,1,0,0,0,0|3,0,0]=4 2741 B11R0.42 CSCCOCCC(=O)N(C)C 7a_100000230434_100000737620 [0,1,0,0,0,0|3,0,0]=4 2742 B11R0.42 CSCCSCCC(=O)N(C)C 62a_100000212216_100000737620 [0,1,0,0,0,0|3,0,0]=4 2743 B11R0.42 CSCCSCCC(=O)N(C)C 62a_100000737620_100000751147 [0,1,0,0,0,0|3,0,0]=4 2744 B11R0.42 CSCNCCCC(=O)N(C)C 2230a_200000744827_100011218213 [0,1,0,0,0,0|3,0,0]=4 2745 B11R0.42 CSCSCCCC(=O)N(C)C 62a_100000737642_100011218213 [0,1,0,0,0,0|3,0,0]=4 2746 B11R0.42 CSCSCCCC(=O)N(C)C 62a_100011218213_100000737642 [0,1,0,0,0,0|3,0,0]=4 2747 B11R0.42 C[C@@H](O)C(=O)CCCCCC#N 1458a_100000717761_100009813376 [0,1,0,0,0,0|2,0,1]=4 2748 B11R0.42 C[C@@H](O)C(=O)CCCCCCF 1458a_100000717761_100015922095 [0,1,0,0,0,0|2,0,0]=3 2749 B11R0.42 C[C@@H](O)C(=O)CCCCCCO 1458a_100000717761_100000766143 [0,1,0,0,0,0|2,0,0]=3 2750 B11R0.42 C[C@@H](O)C(=O)NCCCCCO 240690a_100000762737_100000717761 [0,1,0,0,0,0|3,0,0]=4 2751 B11R0.42 C[C@H](O)C(=O)CCCCCC#N 1458a_217856618621_100009813376 [0,1,0,0,0,0|2,0,1]=4 2752 B11R0.42 C[C@H](O)C(=O)CCCCCCF 1458a_217856618621_100015922095 [0,1,0,0,0,0|2,0,0]=3 2753 B11R0.42 C[C@H](O)C(=O)CCCCCCO 1458a_217856618621_100000766143 [0,1,0,0,0,0|2,0,0]=3 2754 B11R0.42 C[C@H](O)C(=O)NCCCCCO 240690a_100000762737_217856618621 [0,1,0,0,0,0|3,0,0]=4 2755 B11R0.42 N#CCCCCCC(=O)C(O)O 1458a_100000233687_100009813376 [0,1,0,0,0,0|2,0,1]=4 2756 B11R0.42 O=C(CCCCCCF)C(O)O 1458a_100000233687_100015922095 [0,1,0,0,0,0|2,0,0]=3 2757 B11R0.42 O=C(CCCCCCO)C(O)O 1458a_100000233687_100000766143 [0,1,0,0,0,0|2,0,0]=3 2758 B11R0.42 O=C(NCCCCCO)C(O)O 240690a_100000762737_100000233687 [0,1,0,0,0,0|3,0,0]=4 2759 B11R0.49 CCCCCCCC(C)(C)NC 34a_100102657272_200000046972 [0,1,0,0,0,0|2,0,1]=4 2760 B11R0.49 CCCCCCCC(C)(C)NC 7a_106832991635_200000046972 [0,1,0,0,0,0|2,0,1]=4 2761 B11R0.49 CCCCNCCS(=O)(=O)NC 2230a_100000710037_100000210211 [0,1,0,0,0,0|3,0,0]=4 2762 B11R0.49 CCCCNCCS(=O)(=O)NC 34a_100000710037_100000210210 [0,1,0,0,0,0|3,0,0]=4 2763 B11R0.70 CCCCC(=O)CCC(=O)NC 1458a_100011309844_100000210211 [0,1,0,0,0,0|1,0,1]=3 2764 B11R0.70 CCCCC(=O)CCC(=O)OC 1458a_100000187943_100000210211 [0,1,0,0,0,0|2,0,1]=4 2765 B11R0.70 CCCCC(=O)NCC(=O)NC 11a_100000693194_100000210183 [0,1,0,0,0,0|2,0,1]=4 2766 B11R0.70 CCCCC(=O)NCC(=O)NC 240690a_100000693194_100000210183 [0,1,0,0,0,0|2,0,1]=4 2767 B11R0.70 CCCCC(=O)NCC(=O)NC 527a_100000693194_100000210183 [0,1,0,0,0,0|2,0,1]=4 2768 B11R0.70 CCCCC(C)CCC(=O)CC 1458a_100000033779_100000210202 [0,1,0,0,0,0|2,0,0]=3 2769 B11R0.70 CCCCC(C)CCC(=O)CF 1458a_100000033779_100015361967 [0,1,0,0,0,0|2,0,0]=3 2770 B11R0.70 CCCCC(C)CCC(=O)NC 11a_106832991635_100000033779 [0,1,0,0,0,0|1,0,0]=2 2771 B11R0.70 CCCCC(C)CCC(=O)NC 1626a_100102657272_100000033779 [0,1,0,0,0,0|1,0,0]=2 2772 B11R0.70 CCCCC(C)CCC(=O)NC 240690a_100102657272_100000033779 [0,1,0,0,0,0|1,0,0]=2 2773 B11R0.70 CCCCC(C)CCC(=O)NC 527a_100102657272_100000033779 [0,1,0,0,0,0|1,0,0]=2 2774 B11R0.70 CCCCC(C)NCC(=O)NC 2230a_100000126638_100000183359 [0,1,0,0,0,0|2,0,0]=3 2775 B11R0.70 CCCCC(C)NCC(=O)NC 2230a_100000693194_200011215066 [0,1,0,0,0,0|2,0,0]=3 2776 B11R0.70 CCCCC(C)NCC(=O)NC 270004a_100000693194_100000210087 [0,1,0,0,0,0|2,0,0]=3 2777 B11R0.70 CCCCC(C)NCC(=O)OC 2230a_100000126638_100000747449 [0,1,0,0,0,0|3,0,0]=4 2778 B11R0.70 CCCCC(C)OCC(=O)CC 34a_100000725409_200011215066 [0,1,0,0,0,0|3,0,0]=4 2779 B11R0.70 CCCCC(C)OCC(=O)CC 7a_100000687866_100000747405 [0,1,0,0,0,0|3,0,0]=4 2780 B11R0.70 CCCCC(C)OCC(=O)NC 34a_100000687866_100000183359 [0,1,0,0,0,0|2,0,0]=3 2781 B11R0.70 CCCCC(C)OCC(=O)NC 34a_100000750040_200011215066 [0,1,0,0,0,0|2,0,0]=3 2782 B11R0.70 CCCCC(C)OCC(=O)NC 7a_100000687866_100000183359 [0,1,0,0,0,0|2,0,0]=3 2783 B11R0.70 CCCCC(C)OCC(=O)OC 34a_100000687866_100000747449 [0,1,0,0,0,0|3,0,0]=4 2784 B11R0.70 CCCCC(C)OCC(=O)OC 7a_100000687866_100000747449 [0,1,0,0,0,0|3,0,0]=4 2785 B11R0.70 CCCCC(C)SCC(=O)CC 62a_100000747405_200011215066 [0,1,0,0,0,0|3,0,0]=4 2786 B11R0.70 CCCCC(C)SCC(=O)CC 62a_200011215066_100000747405 [0,1,0,0,0,0|3,0,0]=4 2787 B11R0.70 CCCCC(C)SCC(=O)NC 62a_100000183359_200011215066 [0,1,0,0,0,0|2,0,0]=3 2788 B11R0.70 CCCCC(C)SCC(=O)NC 62a_200011215066_100000183359 [0,1,0,0,0,0|2,0,0]=3 2789 B11R0.70 CCCCC(C)SCC(=O)OC 62a_100000747449_200011215066 [0,1,0,0,0,0|3,0,0]=4 2790 B11R0.70 CCCCC(C)SCC(=O)OC 62a_200011215066_100000747449 [0,1,0,0,0,0|3,0,0]=4 2791 B11R0.70 CCCCN(C)CCC(=O)NC 2230a_100000207549_100000737683 [0,1,0,0,0,0|2,0,0]=3 2792 B11R0.70 CCCCN(C)CCC(=O)NC 2230a_100000750875_100000210211 [0,1,0,0,0,0|2,0,0]=3 2793 B11R0.70 CCCCN(C)CCC(=O)NC 269982a_100000207549_100000737683 [0,1,0,0,0,0|2,0,0]=3 2794 B11R0.70 CCCCN(C)CCC(=O)NC 269982a_100000750875_100000210211 [0,1,0,0,0,0|2,0,0]=3 2795 B11R0.70 CCCCN(C)CCC(=O)OC 2230a_100000207549_100000204255 [0,1,0,0,0,0|3,0,0]=4 2796 B11R0.70 CCCCN(C)CCC(=O)OC 269982a_100000207549_100000204255 [0,1,0,0,0,0|3,0,0]=4 2797 B11R0.70 CCCCN(C)CCC(=O)OC 269982a_100025711912_100000210211 [0,1,0,0,0,0|3,0,0]=4 2798 B11R0.70 CCCNC(=O)CCC(=O)NC 11a_100020643023_100011309844 [0,1,0,0,0,0|2,0,1]=4 2799 B11R0.70 CCCNC(=O)CCC(=O)NC 11a_106832991635_100000199543 [0,1,0,0,0,0|2,0,1]=4 2800 B11R0.70 CCCNC(=O)CCC(=O)NC 1626a_100020643023_100011309844 [0,1,0,0,0,0|2,0,1]=4 2801 B11R0.70 CCCNC(=O)CCC(=O)NC 1626a_100102657272_100000199543 [0,1,0,0,0,0|2,0,1]=4 2802 B11R0.70 CCCNC(=O)CCC(=O)NC 240690a_100020643023_100011309844 [0,1,0,0,0,0|2,0,1]=4 2803 B11R0.70 CCCNC(=O)CCC(=O)NC 240690a_100102657272_100000199543 [0,1,0,0,0,0|2,0,1]=4 2804 B11R0.70 CCCNC(=O)CCC(=O)NC 527a_100020643023_100011309844 [0,1,0,0,0,0|2,0,1]=4 2805 B11R0.70 CCCNC(=O)CCC(=O)NC 527a_100102657272_100000199543 [0,1,0,0,0,0|2,0,1]=4 2806 B11R0.70 CCCOC(C)CNC(=O)CO 240690a_100015185124_100000210174 [0,1,0,0,0,0|3,0,0]=4 2807 B11R0.70 CCCOC(C)CNC(=O)CO 527a_100015185124_100000210174 [0,1,0,0,0,0|3,0,0]=4 2808 B11R0.70 CCCOC(C)CNC(=O)NC 2708a_100015185124_106832991635 [0,1,0,0,0,0|3,0,0]=4 2809 B11R0.70 CCCOC(C)CNC(=O)NC 2708a_100102657272_100015185124 [0,1,0,0,0,0|3,0,0]=4 2810 B11R0.70 CCCOC(C)CNC(=O)NC 273464a_100015185124_100102657272 [0,1,0,0,0,0|3,0,0]=4 2811 B11R0.70 CCCOC(C)CNC(=O)NC 273464a_100102657272_100015185124 [0,1,0,0,0,0|3,0,0]=4 2812 B11R0.70 CCCOC(C)CNC(=O)NC 512a_100015185124_100102657272 [0,1,0,0,0,0|3,0,0]=4 2813 B11R0.70 CCCOC(C)CNC(=O)NC 512a_106832991638_100015185124 [0,1,0,0,0,0|3,0,0]=4 2814 B11R0.70 CCOCC(C)OCC(=O)NC 34a_100000718985_100000183359 [0,1,0,0,0,0|3,0,0]=4 2815 B11R0.70 CCOCC(C)OCC(=O)NC 7a_100000718985_100000183359 [0,1,0,0,0,0|3,0,0]=4 2816 B11R0.70 CCOCC(O)CNC(=O)CO 240690a_102515437182_100000210174 [0,1,0,0,0,0|3,0,0]=4 2817 B11R0.70 CCOCC(O)CNC(=O)CO 527a_102515437182_100000210174 [0,1,0,0,0,0|3,0,0]=4 2818 B11R0.70 CCOCC(O)CNC(=O)NC 2708a_100102657272_102515437182 [0,1,0,0,0,0|3,0,0]=4 2819 B11R0.70 CCOCC(O)CNC(=O)NC 273464a_100102657272_102515437182 [0,1,0,0,0,0|3,0,0]=4 2820 B11R0.70 CCOCC(O)CNC(=O)NC 273464a_102515437182_100102657272 [0,1,0,0,0,0|3,0,0]=4 2821 B11R0.70 CCOCC(O)CNC(=O)NC 512a_102515437182_100102657272 [0,1,0,0,0,0|3,0,0]=4 2822 B11R0.70 CCOCN(C)CCC(=O)NC 269982a_100000750875_100000739092 [0,1,0,0,0,0|3,0,0]=4 2823 B11R0.70 CCSCC(C)NCC(=O)NC 270004a_100000693194_200011216171 [0,1,0,0,0,0|3,0,0]=4 2824 B11R0.70 CNC(=O)CCC(=O)CCCF 1458a_100011309844_100011934791 [0,1,0,0,0,0|2,0,1]=4 2825 B11R0.70 CNC(=O)CCC(=O)CCCO 1458a_100011309844_100011215043 [0,1,0,0,0,0|2,0,1]=4 2826 B11R0.70 CNC(=O)CCC(=O)CCOC 1458a_100011309844_100000233755 [0,1,0,0,0,0|2,0,1]=4 2827 B11R0.70 CNC(=O)CCC(=O)CCSC 1458a_100011309844_100000751147 [0,1,0,0,0,0|2,0,1]=4 2828 B11R0.70 CNC(=O)CCN(C)CCCF 2230a_100000750875_100011934791 [0,1,0,0,0,0|3,0,0]=4 2829 B11R0.70 CNC(=O)CCN(C)CCCF 269982a_100000750875_100011934791 [0,1,0,0,0,0|3,0,0]=4 2830 B11R0.70 CNC(=O)CCN(C)CCCO 2230a_100000213112_100000737683 [0,1,0,0,0,0|3,0,0]=4 2831 B11R0.70 CNC(=O)CCN(C)CCCO 2230a_100000750875_100000230001 [0,1,0,0,0,0|3,0,0]=4 2832 B11R0.70 CNC(=O)CCN(C)CCCO 269982a_100000213112_100000737683 [0,1,0,0,0,0|3,0,0]=4 2833 B11R0.70 CNC(=O)CCN(C)CCCO 269982a_100000750875_100011215043 [0,1,0,0,0,0|3,0,0]=4 2834 B11R0.70 CNC(=O)CCN(C)CCOC 2230a_100000743101_100000737683 [0,1,0,0,0,0|3,0,0]=4 2835 B11R0.70 CNC(=O)CCN(C)CCOC 2230a_100000750875_100011201679 [0,1,0,0,0,0|3,0,0]=4 2836 B11R0.70 CNC(=O)CCN(C)CCOC 240690a_100102657272_200103286627 [0,1,0,0,0,0|3,0,0]=4 2837 B11R0.70 CNC(=O)CCN(C)CCOC 269982a_100000743101_100000737683 [0,1,0,0,0,0|3,0,0]=4 2838 B11R0.70 CNC(=O)CCN(C)CCOC 269982a_100000750875_100000233755 [0,1,0,0,0,0|3,0,0]=4 2839 B11R0.70 CNC(=O)CCN(C)CCSC 2230a_100000686725_100000737683 [0,1,0,0,0,0|3,0,0]=4 2840 B11R0.70 CNC(=O)CCN(C)CCSC 2230a_100000750875_100000751147 [0,1,0,0,0,0|3,0,0]=4 2841 B11R0.70 CNC(=O)CCN(C)CCSC 269982a_100000686725_100000737683 [0,1,0,0,0,0|3,0,0]=4 2842 B11R0.70 CNC(=O)CCN(C)CCSC 269982a_100000750875_100000212216 [0,1,0,0,0,0|3,0,0]=4 2843 B11R0.70 CNC(=O)CNC(C)CCOC 270004a_100000693194_100000742357 [0,1,0,0,0,0|3,0,0]=4 2844 B11R0.70 CNC(=O)CNC(C)CCSC 270004a_100000693194_100011217047 [0,1,0,0,0,0|3,0,0]=4 2845 B11R0.70 CNC(=O)COC(C)CCCCl 34a_200000718107_100000183359 [0,1,0,0,0,0|3,0,0]=4 2846 B11R0.70 CNC(=O)COC(C)CCCCl 7a_200000718107_100000183359 [0,1,0,0,0,0|3,0,0]=4 2847 B11R0.70 CNC(=O)NC[C@H](C)CCCO 2708a_100102657272_100160569302 [0,1,0,0,0,0|3,0,0]=4 2848 B11R0.70 CNC(=O)NC[C@H](C)CCCO 273464a_100102657272_100160569302 [0,1,0,0,0,0|3,0,0]=4 2849 B11R0.70 CNC(=O)NC[C@H](C)CCCO 273464a_100160569302_100102657272 [0,1,0,0,0,0|3,0,0]=4 2850 B11R0.70 CNC(=O)NC[C@H](C)CCCO 512a_100160569302_100102657272 [0,1,0,0,0,0|3,0,0]=4 2851 B11R0.70 CNC(=O)NC[C@H](C)CCCO 512a_106832991638_100160569302 [0,1,0,0,0,0|3,0,0]=4 2852 B11R0.70 C[C@H](CCCO)CNC(=O)CO 240690a_100160569302_100000210174 [0,1,0,0,0,0|3,0,0]=4 2853 B11R0.70 C[C@H](CCCO)CNC(=O)CO 527a_100160569302_100000210174 [0,1,0,0,0,0|3,0,0]=4 2854 B11R0.106 CC(CO)OCCCC(=O)NN 34a_100000211488_100012180447 [0,1,0,0,0,0|3,0,0]=4 2855 B11R0.106 CCC(=O)CCCCC(=O)OC 1458a_100000210414_100000204269 [0,1,0,0,0,0|2,0,1]=4 2856 B11R0.106 CCC(=O)CCCCC(=O)OC 1458a_100000695723_100000210202 [0,1,0,0,0,0|2,0,1]=4 2857 B11R0.106 CCC(=O)COCCC(=O)NC 34a_100000725409_100012179268 [0,1,0,0,0,0|2,0,1]=4 2858 B11R0.106 CCC(=O)COCCC(C)CC 7a_100011215188_100000747405 [0,1,0,0,0,0|3,0,0]=4 2859 B11R0.106 CCC(=O)CSCCC(=O)NC 62a_100000737683_100000747405 [0,1,0,0,0,0|2,0,1]=4 2860 B11R0.106 CCC(=O)CSCCC(=O)NC 62a_100000747405_100000737683 [0,1,0,0,0,0|2,0,1]=4 2861 B11R0.106 CCC(=O)NCCCC(=O)NC 11a_100000740002_100000210414 [0,1,0,0,0,0|2,0,1]=4 2862 B11R0.106 CCC(=O)NCCCC(=O)NC 240690a_100000740002_100000210414 [0,1,0,0,0,0|2,0,1]=4 2863 B11R0.106 CCC(=O)NCCCC(=O)NC 527a_100000740002_100000210414 [0,1,0,0,0,0|2,0,1]=4 2864 B11R0.106 CCC(C)CCNCC(=O)NC 2230a_100020591266_100000183359 [0,1,0,0,0,0|2,0,0]=3 2865 B11R0.106 CCC(C)CCNCC(=O)OC 2230a_100020591266_100000747449 [0,1,0,0,0,0|3,0,0]=4 2866 B11R0.106 CCC(C)CCOCC(=O)NC 7a_100011215188_100000183359 [0,1,0,0,0,0|2,0,0]=3 2867 B11R0.106 CCC(C)CCOCC(=O)OC 7a_100011215188_100000747449 [0,1,0,0,0,0|3,0,0]=4 2868 B11R0.106 CCC(C)CNCCC(=O)NC 2230a_100000738227_100000748023 [0,1,0,0,0,0|2,0,0]=3 2869 B11R0.106 CCC(C)CNCCC(=O)NC 2230a_100020588543_100000737683 [0,1,0,0,0,0|2,0,0]=3 2870 B11R0.106 CCC(C)CNCCC(=O)NC 270004a_100000738227_100000243153 [0,1,0,0,0,0|2,0,0]=3 2871 B11R0.106 CCC(C)CNCCC(=O)NC 34a_100000738227_100000748023 [0,1,0,0,0,0|2,0,0]=3 2872 B11R0.106 CCC(C)CNCCC(=O)OC 2230a_100020588543_100000204255 [0,1,0,0,0,0|3,0,0]=4 2873 B11R0.106 CCC(C)COCCC(=NO)N 34a_100000749954_100000748023 [0,1,0,0,0,0|2,0,1]=4 2874 B11R0.106 CCC(C)COCCC(=O)NC 34a_100000754576_100000748023 [0,1,0,0,0,0|2,0,0]=3 2875 B11R0.106 CCC(C)CSCCC(=O)NC 62a_100000737683_100000748023 [0,1,0,0,0,0|2,0,0]=3 2876 B11R0.106 CCC(C)CSCCC(=O)NC 62a_100000748023_100000737683 [0,1,0,0,0,0|2,0,0]=3 2877 B11R0.106 CCC(C)CSCCC(=O)OC 62a_100000204255_100000748023 [0,1,0,0,0,0|3,0,0]=4 2878 B11R0.106 CCC(C)CSCCC(=O)OC 62a_100000748023_100000204255 [0,1,0,0,0,0|3,0,0]=4 2879 B11R0.106 CCC(C)NCCCC(=O)NC 2230a_100000209981_100000741757 [0,1,0,0,0,0|2,0,0]=3 2880 B11R0.106 CCC(C)NCCCC(=O)NC 2230a_100000740002_100000758301 [0,1,0,0,0,0|2,0,0]=3 2881 B11R0.106 CCC(C)NCCCC(=O)NC 34a_100000740002_100011215416 [0,1,0,0,0,0|2,0,0]=3 2882 B11R0.106 CCC(C)NCCCC(=O)OC 2230a_100000209981_100011218270 [0,1,0,0,0,0|3,0,0]=4 2883 B11R0.106 CCC(C)NCCNC(=O)NC 34a_100015205895_100011215416 [0,1,0,0,0,0|3,0,0]=4 2884 B11R0.106 CCC(C)OCCCC(=O)NC 7a_100000210228_100000741757 [0,1,0,0,0,0|2,0,0]=3 2885 B11R0.106 CCC(C)OCCCC(=O)NN 34a_100000211488_100011215416 [0,1,0,0,0,0|2,0,0]=3 2886 B11R0.106 CCC(C)OCCCC(=O)OC 7a_100000210228_100011218270 [0,1,0,0,0,0|3,0,0]=4 2887 B11R0.106 CCC(C)OCCOC(=O)NC 7a_100000210228_200011997002 [0,1,0,0,0,0|3,0,0]=4 2888 B11R0.106 CCC(C)SCCCC(=O)NC 62a_100000741757_100000758301 [0,1,0,0,0,0|2,0,0]=3 2889 B11R0.106 CCC(C)SCCCC(=O)NC 62a_100000758301_100000741757 [0,1,0,0,0,0|2,0,0]=3 2890 B11R0.106 CCC(C)SCCCC(=O)OC 62a_100000758301_100011218270 [0,1,0,0,0,0|3,0,0]=4 2891 B11R0.106 CCC(C)SCCCC(=O)OC 62a_100011218270_100000758301 [0,1,0,0,0,0|3,0,0]=4 2892 B11R0.106 CCC(C)SCCOC(=O)NC 62a_100000758301_200011997002 [0,1,0,0,0,0|3,0,0]=4 2893 B11R0.106 CCC(C)SCCOC(=O)NC 62a_200011997002_100000758301 [0,1,0,0,0,0|3,0,0]=4 2894 B11R0.106 CCC(O)CNCCC(=O)NC 2230a_100000738227_100011218378 [0,1,0,0,0,0|2,0,0]=3 2895 B11R0.106 CCC(O)CNCCC(=O)NC 2230a_100011218483_100000737683 [0,1,0,0,0,0|2,0,0]=3 2896 B11R0.106 CCC(O)CNCCC(=O)NC 34a_100000738227_100011218378 [0,1,0,0,0,0|2,0,0]=3 2897 B11R0.106 CCC(O)CNCCC(=O)OC 2230a_100011218483_100000204255 [0,1,0,0,0,0|3,0,0]=4 2898 B11R0.106 CCC(O)COCCC(=NO)N 34a_100000749954_100011218378 [0,1,0,0,0,0|2,0,1]=4 2899 B11R0.106 CCC(O)COCCC(=O)NC 34a_100000754576_100011218378 [0,1,0,0,0,0|2,0,0]=3 2900 B11R0.106 CCC(O)CSCCC(=O)NC 62a_100000737683_100011218378 [0,1,0,0,0,0|2,0,0]=3 2901 B11R0.106 CCC(O)CSCCC(=O)NC 62a_100011218378_100000737683 [0,1,0,0,0,0|2,0,0]=3 2902 B11R0.106 CCC(O)CSCCC(=O)OC 62a_100000204255_100011218378 [0,1,0,0,0,0|3,0,0]=4 2903 B11R0.106 CCC(O)CSCCC(=O)OC 62a_100011218378_100000204255 [0,1,0,0,0,0|3,0,0]=4 2904 B11R0.106 CCN(C)CCCCC(=O)OC 2230a_100000225621_100000204269 [0,1,0,0,0,0|3,0,0]=4 2905 B11R0.106 CCN(C)CCCCC(=O)OC 269982a_100000225621_100000204269 [0,1,0,0,0,0|3,0,0]=4 2906 B11R0.106 CC[C@H](C)CNCCC(=O)NC 2230a_100000738227_100009816398 [0,1,0,0,0,0|2,0,0]=3 2907 B11R0.106 CC[C@H](C)CNCCC(=O)NC 34a_100000738227_100009816398 [0,1,0,0,0,0|2,0,0]=3 2908 B11R0.106 CC[C@H](C)COCCC(=NO)N 34a_100000749954_100009816398 [0,1,0,0,0,0|2,0,1]=4 2909 B11R0.106 CC[C@H](C)COCCC(=O)NC 34a_100000754576_100009816398 [0,1,0,0,0,0|2,0,0]=3 2910 B11R0.106 CC[C@H](C)COCCC(=O)NC 7a_100009816381_100000737683 [0,1,0,0,0,0|2,0,0]=3 2911 B11R0.106 CC[C@H](C)COCCC(=O)OC 7a_100009816381_100000204255 [0,1,0,0,0,0|3,0,0]=4 2912 B11R0.106 CC[C@H](C)CSCCC(=O)NC 62a_100000737683_100009816398 [0,1,0,0,0,0|2,0,0]=3 2913 B11R0.106 CC[C@H](C)CSCCC(=O)NC 62a_100009816398_100000737683 [0,1,0,0,0,0|2,0,0]=3 2914 B11R0.106 CC[C@H](C)CSCCC(=O)OC 62a_100000204255_100009816398 [0,1,0,0,0,0|3,0,0]=4 2915 B11R0.106 CC[C@H](C)CSCCC(=O)OC 62a_100009816398_100000204255 [0,1,0,0,0,0|3,0,0]=4 2916 B11R0.106 CNC(=O)CCCCC(=O)OC 11a_106832991635_100000695723 [0,1,0,0,0,0|2,0,1]=4 2917 B11R0.106 CNC(=O)CCCCC(=O)OC 1626a_100102657272_100000695723 [0,1,0,0,0,0|2,0,1]=4 2918 B11R0.106 CNC(=O)CCCCC(=O)OC 240690a_100102657272_100000695723 [0,1,0,0,0,0|2,0,1]=4 2919 B11R0.106 CNC(=O)CCCCC(=O)OC 527a_100102657272_100000695723 [0,1,0,0,0,0|2,0,1]=4 2920 B11R0.106 CNC(=O)CCCNC(C)CO 2230a_100000740002_100012180447 [0,1,0,0,0,0|3,0,0]=4 2921 B11R0.106 CNC(=O)CCCNC(C)CO 34a_100000740002_100012180447 [0,1,0,0,0,0|3,0,0]=4 2922 B11R0.106 CNC(=O)CCCN[C@H](C)CO 2230a_100000737577_100000741757 [0,1,0,0,0,0|3,0,0]=4 2923 B11R0.106 CNC(=O)CCCOC(C)CF 34a_100016041109_100000741757 [0,1,0,0,0,0|3,0,0]=4 2924 B11R0.106 CNC(=O)CCCOC(C)CF 7a_100016041109_100000741757 [0,1,0,0,0,0|3,0,0]=4 2925 B11R0.106 CNC(=O)CCCOC(C)CN 34a_100000210904_100000741757 [0,1,0,0,0,0|3,0,0]=4 2926 B11R0.106 CNC(=O)CCCSC(C)CO 62a_100012180447_100000741757 [0,1,0,0,0,0|3,0,0]=4 2927 B11R0.106 CNC(=O)CCCSC(C)OC 62a_100000741757_100009879195 [0,1,0,0,0,0|3,0,0]=4 2928 B11R0.106 CNC(=O)CCCSC(C)OC 62a_100009879195_100000741757 [0,1,0,0,0,0|3,0,0]=4 2929 B11R0.106 CNC(=O)CCCS[C@H](C)CO 62a_100000741757_100016084084 [0,1,0,0,0,0|3,0,0]=4 2930 B11R0.106 CNC(=O)CCCS[C@H](C)CO 62a_100016084084_100000741757 [0,1,0,0,0,0|3,0,0]=4 2931 B11R0.106 CNC(=O)CCNCC(C)CO 34a_100000744482_100012179268 [0,1,0,0,0,0|3,0,0]=4 2932 B11R0.106 CNC(=O)CCNCC(O)CO 2230a_100000738227_100011219619 [0,1,0,0,0,0|3,0,0]=4 2933 B11R0.106 CNC(=O)CCNCC(O)CO 34a_100000738227_100011219619 [0,1,0,0,0,0|3,0,0]=4 2934 B11R0.106 CNC(=O)CCNC[C@@H](C)CO 2230a_100000738227_100000059175 [0,1,0,0,0,0|3,0,0]=4 2935 B11R0.106 CNC(=O)CCNC[C@@H](C)CO 34a_100000738227_100000059175 [0,1,0,0,0,0|3,0,0]=4 2936 B11R0.106 CNC(=O)CCNC[C@@H](C)OC 2230a_100020591295_100000737683 [0,1,0,0,0,0|3,0,0]=4 2937 B11R0.106 CNC(=O)CCNC[C@@H](F)CO 34a_100015665980_100012179268 [0,1,0,0,0,0|3,0,0]=4 2938 B11R0.106 CNC(=O)CCNC[C@@H](O)CF 2230a_100000738227_100015614560 [0,1,0,0,0,0|3,0,0]=4 2939 B11R0.106 CNC(=O)CCNC[C@@H](O)CF 34a_100000738227_100015614560 [0,1,0,0,0,0|3,0,0]=4 2940 B11R0.106 CNC(=O)CCNC[C@@H](O)CO 2230a_100000738227_100009815848 [0,1,0,0,0,0|3,0,0]=4 2941 B11R0.106 CNC(=O)CCNC[C@@H](O)CO 34a_100000738227_100009815848 [0,1,0,0,0,0|3,0,0]=4 2942 B11R0.106 CNC(=O)CCNC[C@H](O)CO 2230a_100020644852_100000737683 [0,1,0,0,0,0|3,0,0]=4 2943 B11R0.106 CNC(=O)CCOCC(C)CN 34a_100000744482_100012179268 [0,1,0,0,0,0|3,0,0]=4 2944 B11R0.106 CNC(=O)CCOCC(C)OC 34a_100000690652_100012179268 [0,1,0,0,0,0|3,0,0]=4 2945 B11R0.106 CNC(=O)CCOCC(Cl)CCl 34a_100000033668_100012179268 [0,1,0,0,0,0|3,0,0]=4 2946 B11R0.106 CNC(=O)CCOCC(O)CO 34a_100000754576_100011219619 [0,1,0,0,0,0|3,0,0]=4 2947 B11R0.106 CNC(=O)CCOC[C@@H](C)CO 34a_100000754576_100000059175 [0,1,0,0,0,0|3,0,0]=4 2948 B11R0.106 CNC(=O)CCOC[C@@H](O)CF 34a_100000754576_100015614560 [0,1,0,0,0,0|3,0,0]=4 2949 B11R0.106 CNC(=O)CCOC[C@@H](O)CO 34a_100000754576_100009815848 [0,1,0,0,0,0|3,0,0]=4 2950 B11R0.106 CNC(=O)CCOC[C@H](F)CN 34a_100015665980_100012179268 [0,1,0,0,0,0|3,0,0]=4 2951 B11R0.106 CNC(=O)CCSCC(O)CO 62a_100000737683_100011219619 [0,1,0,0,0,0|3,0,0]=4 2952 B11R0.106 CNC(=O)CCSCC(O)CO 62a_100011219619_100000737683 [0,1,0,0,0,0|3,0,0]=4 2953 B11R0.106 CNC(=O)CCSC[C@@H](C)CO 62a_100000059175_100000737683 [0,1,0,0,0,0|3,0,0]=4 2954 B11R0.106 CNC(=O)CCSC[C@@H](C)CO 62a_100000737683_100000059175 [0,1,0,0,0,0|3,0,0]=4 2955 B11R0.106 CNC(=O)CCSC[C@@H](O)CF 62a_100000737683_100015614560 [0,1,0,0,0,0|3,0,0]=4 2956 B11R0.106 CNC(=O)CCSC[C@@H](O)CF 62a_100015614560_100000737683 [0,1,0,0,0,0|3,0,0]=4 2957 B11R0.106 CNC(=O)CCSC[C@@H](O)CO 62a_100000737683_100009815848 [0,1,0,0,0,0|3,0,0]=4 2958 B11R0.106 CNC(=O)CCSC[C@@H](O)CO 62a_100009815848_100000737683 [0,1,0,0,0,0|3,0,0]=4 2959 B11R0.106 CNC(=O)CNCCC(C)CO 2230a_106354213184_100000183359 [0,1,0,0,0,0|3,0,0]=4 2960 B11R0.106 CNC(=O)CNCCC(C)CO 34a_106354213184_100000183359 [0,1,0,0,0,0|3,0,0]=4 2961 B11R0.106 CNC(=O)COCCC(C)OC 7a_100000764861_100000183359 [0,1,0,0,0,0|3,0,0]=4 2962 B11R0.106 COC(=O)CCCCC(=O)CO 1458a_100000210174_100000204269 [0,1,0,0,0,0|2,0,1]=4 2963 B11R0.111 C#CC(=O)CCCCCC(C)C 1458a_100000211873_100000210682 [0,1,0,0,0,0|2,0,0]=3 2964 B11R0.111 C=C(C)CCNCCC(=O)NC 2230a_100000738227_100000730704 [0,1,0,0,0,0|2,0,1]=4 2965 B11R0.111 C=C(C)CCNCCC(=O)NC 34a_100000738227_100000730704 [0,1,0,0,0,0|2,0,1]=4 2966 B11R0.111 C=C(C)CCOCCC(=O)NC 34a_100000754576_100000730704 [0,1,0,0,0,0|2,0,1]=4 2967 B11R0.111 C=C(C)CCOCCC(=O)NC 34a_100000764851_100012179268 [0,1,0,0,0,0|2,0,1]=4 2968 B11R0.111 C=C(C)CCSCCC(=O)NC 62a_100000730704_100000737683 [0,1,0,0,0,0|2,0,1]=4 2969 B11R0.111 C=C(C)CCSCCC(=O)NC 62a_100000737683_100000730704 [0,1,0,0,0,0|2,0,1]=4 2970 B11R0.111 C=C(C)CNCCCC(=O)NC 2230a_100000740002_100000748629 [0,1,0,0,0,0|2,0,1]=4 2971 B11R0.111 C=C(C)CNCCCC(=O)NC 34a_100000740002_100000748629 [0,1,0,0,0,0|2,0,1]=4 2972 B11R0.111 C=C(C)COCCCC(=O)NC 34a_100000210245_100000741757 [0,1,0,0,0,0|2,0,1]=4 2973 B11R0.111 C=C(C)COCCCC(=O)NN 34a_100000211488_100000748629 [0,1,0,0,0,0|2,0,1]=4 2974 B11R0.111 C=C(C)CSCCCC(=O)NC 62a_100000741757_100000211660 [0,1,0,0,0,0|2,0,1]=4 2975 B11R0.111 C=C(C)CSCCCC(=O)NC 62a_100000748629_100000741757 [0,1,0,0,0,0|2,0,1]=4 2976 B11R0.111 C=CC(=O)CCCCCC(C)C 1458a_100000185746_100000210682 [0,1,0,0,0,0|2,0,0]=3 2977 B11R0.111 CC(=O)OCCCCC(=O)CO 1458a_100000210174_100000033659 [0,1,0,0,0,0|2,0,1]=4 2978 B11R0.111 CC(=O)SCCCCC(=O)CO 1458a_100000210174_200010402107 [0,1,0,0,0,0|2,0,1]=4 2979 B11R0.111 CC(C)CCCCCC(=O)CF 1458a_100000766313_100015361967 [0,1,0,0,0,0|2,0,0]=3 2980 B11R0.111 CC(C)CCCCCC(=O)CO 1458a_100000210174_100000210682 [0,1,0,0,0,0|1,0,0]=2 2981 B11R0.111 CC(C)CCOCCC(=NO)N 34a_100000749954_100000210312 [0,1,0,0,0,0|2,0,1]=4 2982 B11R0.111 CC(C)COCCCC(=O)NN 34a_100000211488_100000210624 [0,1,0,0,0,0|2,0,0]=3 2983 B11R0.111 CC(C)OCCCNC(=O)CO 240690a_100000737246_100000210174 [0,1,0,0,0,0|3,0,0]=4 2984 B11R0.111 CC(C)OCCCNC(=O)CO 527a_100000737246_100000210174 [0,1,0,0,0,0|3,0,0]=4 2985 B11R0.111 CC(O)CCOCCC(=NO)N 34a_100000749954_100012276601 [0,1,0,0,0,0|2,0,1]=4 2986 B11R0.111 CC(O)COCCCC(=O)NN 34a_100000211488_100011218427 [0,1,0,0,0,0|2,0,0]=3 2987 B11R0.111 CCC(=O)CCCCCC(C)C 1458a_100000210414_100000210682 [0,1,0,0,0,0|2,0,0]=3 2988 B11R0.111 CCC(=O)CCCCCC(C)C 1458a_100000766313_100000210202 [0,1,0,0,0,0|2,0,0]=3 2989 B11R0.111 CCC(=O)COCCCC(C)C 34a_100000725409_100011214892 [0,1,0,0,0,0|3,0,0]=4 2990 B11R0.111 CCC(=O)COCCCC(C)C 7a_100000210774_100000747405 [0,1,0,0,0,0|3,0,0]=4 2991 B11R0.111 CCC(=O)COCCCC(C)O 34a_100000725409_200000718107 [0,1,0,0,0,0|3,0,0]=4 2992 B11R0.111 CCC(=O)CSCCCC(C)C 62a_100000747405_100011214892 [0,1,0,0,0,0|3,0,0]=4 2993 B11R0.111 CCC(=O)CSCCCC(C)C 62a_100011214892_100000747405 [0,1,0,0,0,0|3,0,0]=4 2994 B11R0.111 CCC(=O)CSCCCC(C)O 62a_100000747405_200000718107 [0,1,0,0,0,0|3,0,0]=4 2995 B11R0.111 CCC(=O)CSCCCC(C)O 62a_200000718107_100000747405 [0,1,0,0,0,0|3,0,0]=4 2996 B11R0.111 CN(C)CCCCNC(=O)CO 240690a_100025707445_100000210174 [0,1,0,0,0,0|3,0,0]=4 2997 B11R0.111 CNC(=O)CCCCCC(C)C 11a_106832991635_100000766313 [0,1,0,0,0,0|1,0,0]=2 2998 B11R0.111 CNC(=O)CCCCCC(C)C 1626a_100102657272_100000766313 [0,1,0,0,0,0|1,0,0]=2 2999 B11R0.111 CNC(=O)CCCCCC(C)C 240690a_100102657272_100000766313 [0,1,0,0,0,0|1,0,0]=2 3000 B11R0.111 CNC(=O)CCCCCC(C)C 527a_100102657272_100000766313 [0,1,0,0,0,0|1,0,0]=2 3001 B11R0.111 CNC(=O)CCCCC[N+](=O)[O-] 11a_106832991635_100000043470 [0,1,0,0,0,0|3,0,0]=4 3002 B11R0.111 CNC(=O)CCCCC[N+](=O)[O-] 1626a_100102657272_100000043470 [0,1,0,0,0,0|3,0,0]=4 3003 B11R0.111 CNC(=O)CCCCC[N+](=O)[O-] 240690a_100102657272_100000043470 [0,1,0,0,0,0|3,0,0]=4 3004 B11R0.111 CNC(=O)CCCCC[N+](=O)[O-] 527a_100102657272_100000043470 [0,1,0,0,0,0|3,0,0]=4 3005 B11R0.111 CNC(=O)CCCNCC(C)C 2230a_100000210953_100000741757 [0,1,0,0,0,0|2,0,0]=3 3006 B11R0.111 CNC(=O)CCCNCC(C)C 2230a_100000740002_100000210760 [0,1,0,0,0,0|2,0,0]=3 3007 B11R0.111 CNC(=O)CCCNCC(C)C 270004a_100000740002_100000210432 [0,1,0,0,0,0|2,0,0]=3 3008 B11R0.111 CNC(=O)CCCNCC(C)C 34a_100000210953_100000741757 [0,1,0,0,0,0|2,0,0]=3 3009 B11R0.111 CNC(=O)CCCNCC(C)C 34a_100000740002_100000210624 [0,1,0,0,0,0|2,0,0]=3 3010 B11R0.111 CNC(=O)CCCNCC(C)O 2230a_100000210904_100000741757 [0,1,0,0,0,0|2,0,0]=3 3011 B11R0.111 CNC(=O)CCCNCC(C)O 2230a_100000740002_100011218427 [0,1,0,0,0,0|2,0,0]=3 3012 B11R0.111 CNC(=O)CCCNCC(C)O 34a_100000210904_100000741757 [0,1,0,0,0,0|2,0,0]=3 3013 B11R0.111 CNC(=O)CCCNCC(C)O 34a_100000740002_100011218427 [0,1,0,0,0,0|2,0,0]=3 3014 B11R0.111 CNC(=O)CCCNCC(F)F 2230a_100000740002_100011934356 [0,1,0,0,0,0|3,0,0]=4 3015 B11R0.111 CNC(=O)CCCNCC(F)F 34a_100000740002_100011934356 [0,1,0,0,0,0|3,0,0]=4 3016 B11R0.111 CNC(=O)CCCNCC(F)F 34a_100000765723_100000741757 [0,1,0,0,0,0|3,0,0]=4 3017 B11R0.111 CNC(=O)CCCNC[C@@H](C)O 2230a_100000740002_100009817552 [0,1,0,0,0,0|2,0,0]=3 3018 B11R0.111 CNC(=O)CCCNC[C@@H](C)O 34a_100000740002_100009817552 [0,1,0,0,0,0|2,0,0]=3 3019 B11R0.111 CNC(=O)CCCOCC(=O)C 34a_100000211253_100000741757 [0,1,0,0,0,0|2,0,1]=4 3020 B11R0.111 CNC(=O)CCCOCC(C)Br 34a_100012180447_100000741757 [0,1,0,0,0,0|2,0,0]=3 3021 B11R0.111 CNC(=O)CCCOCC(C)C 34a_100000210257_100000741757 [0,1,0,0,0,0|2,0,0]=3 3022 B11R0.111 CNC(=O)CCCOCC(C)F 34a_100015925927_100000741757 [0,1,0,0,0,0|2,0,0]=3 3023 B11R0.111 CNC(=O)CCCOCC(F)F 34a_100000743014_100000741757 [0,1,0,0,0,0|3,0,0]=4 3024 B11R0.111 CNC(=O)CCCOC[C@@H](C)Cl 34a_100016084084_100000741757 [0,1,0,0,0,0|2,0,0]=3 3025 B11R0.111 CNC(=O)CCCOC[C@@H](C)N 34a_100000737577_100000741757 [0,1,0,0,0,0|2,0,0]=3 3026 B11R0.111 CNC(=O)CCCSCC(C)C 62a_100000210624_100000741757 [0,1,0,0,0,0|2,0,0]=3 3027 B11R0.111 CNC(=O)CCCSCC(C)C 62a_100000741757_100000210760 [0,1,0,0,0,0|2,0,0]=3 3028 B11R0.111 CNC(=O)CCCSCC(C)O 62a_100000741757_100011218427 [0,1,0,0,0,0|2,0,0]=3 3029 B11R0.111 CNC(=O)CCCSCC(C)O 62a_100011218427_100000741757 [0,1,0,0,0,0|2,0,0]=3 3030 B11R0.111 CNC(=O)CCCSCC(F)F 62a_100000741757_100011934356 [0,1,0,0,0,0|3,0,0]=4 3031 B11R0.111 CNC(=O)CCCSCC(F)F 62a_100011934356_100000741757 [0,1,0,0,0,0|3,0,0]=4 3032 B11R0.111 CNC(=O)CCCSC[C@@H](C)O 62a_100000741757_100009817552 [0,1,0,0,0,0|2,0,0]=3 3033 B11R0.111 CNC(=O)CCCSC[C@@H](C)O 62a_100009817552_100000741757 [0,1,0,0,0,0|2,0,0]=3 3034 B11R0.111 CNC(=O)CCNCCC(C)C 2230a_100000738227_100000210312 [0,1,0,0,0,0|2,0,0]=3 3035 B11R0.111 CNC(=O)CCNCCC(C)C 269862a_100000738227_100000185833 [0,1,0,0,0,0|2,0,0]=3 3036 B11R0.111 CNC(=O)CCNCCC(C)C 34a_100000738227_100000210312 [0,1,0,0,0,0|2,0,0]=3 3037 B11R0.111 CNC(=O)CCNCCC(C)O 2230a_100000738227_100012276601 [0,1,0,0,0,0|2,0,0]=3 3038 B11R0.111 CNC(=O)CCNCCC(C)O 2230a_200000755665_100000737683 [0,1,0,0,0,0|2,0,0]=3 3039 B11R0.111 CNC(=O)CCNCCC(C)O 34a_100000738227_100012276601 [0,1,0,0,0,0|2,0,0]=3 3040 B11R0.111 CNC(=O)CCNCOC(C)C 2230a_100000738227_100000709892 [0,1,0,0,0,0|3,0,0]=4 3041 B11R0.111 CNC(=O)CCNCOC(C)C 34a_100000738227_100000709892 [0,1,0,0,0,0|3,0,0]=4 3042 B11R0.111 CNC(=O)CCOCCC(=O)C 34a_100000759926_100012179268 [0,1,0,0,0,0|2,0,1]=4 3043 B11R0.111 CNC(=O)CCOCCC(=O)C 7a_100000759926_100000737683 [0,1,0,0,0,0|2,0,1]=4 3044 B11R0.111 CNC(=O)CCOCCC(C)Br 34a_100009893172_100012179268 [0,1,0,0,0,0|2,0,0]=3 3045 B11R0.111 CNC(=O)CCOCCC(C)C 34a_100000210254_100012179268 [0,1,0,0,0,0|2,0,0]=3 3046 B11R0.111 CNC(=O)CCOCCC(C)C 34a_100000754576_100000210312 [0,1,0,0,0,0|2,0,0]=3 3047 B11R0.111 CNC(=O)CCOCCC(C)C 7a_100000210254_100000737683 [0,1,0,0,0,0|2,0,0]=3 3048 B11R0.111 CNC(=O)CCOCCC(C)O 34a_100000754576_100012276601 [0,1,0,0,0,0|2,0,0]=3 3049 B11R0.111 CNC(=O)CCOCCC(F)F 34a_100103093639_100012179268 [0,1,0,0,0,0|3,0,0]=4 3050 B11R0.111 CNC(=O)CCOCC[C@@H](C)N 34a_100000706166_100012179268 [0,1,0,0,0,0|2,0,0]=3 3051 B11R0.111 CNC(=O)CCOCOC(C)C 34a_100000754576_100000709892 [0,1,0,0,0,0|3,0,0]=4 3052 B11R0.111 CNC(=O)CCSCCC(=O)C 62a_100000053229_100000737683 [0,1,0,0,0,0|2,0,1]=4 3053 B11R0.111 CNC(=O)CCSCCC(=O)C 62a_100000737683_100000053229 [0,1,0,0,0,0|2,0,1]=4 3054 B11R0.111 CNC(=O)CCSCCC(C)C 62a_100000210312_100000737683 [0,1,0,0,0,0|2,0,0]=3 3055 B11R0.111 CNC(=O)CCSCCC(C)C 62a_100000737683_100000210312 [0,1,0,0,0,0|2,0,0]=3 3056 B11R0.111 CNC(=O)CCSCCC(C)O 62a_100000737683_100012276601 [0,1,0,0,0,0|2,0,0]=3 3057 B11R0.111 CNC(=O)CCSCCC(C)O 62a_100012276601_100000737683 [0,1,0,0,0,0|2,0,0]=3 3058 B11R0.111 CNC(=O)CCSCCN(C)C 62a_100000737683_100000755713 [0,1,0,0,0,0|3,0,0]=4 3059 B11R0.111 CNC(=O)CCSCOC(C)C 62a_100000709892_100000737683 [0,1,0,0,0,0|3,0,0]=4 3060 B11R0.111 CNC(=O)CCSCOC(C)C 62a_100000737683_100000709892 [0,1,0,0,0,0|3,0,0]=4 3061 B11R0.111 CNC(=O)CNCCCC(C)C 2230a_100000693194_100011214892 [0,1,0,0,0,0|2,0,0]=3 3062 B11R0.111 CNC(=O)CNCCCC(C)C 2230a_200000737386_100000183359 [0,1,0,0,0,0|2,0,0]=3 3063 B11R0.111 CNC(=O)CNCCCC(C)C 34a_200000737386_100000183359 [0,1,0,0,0,0|2,0,0]=3 3064 B11R0.111 CNC(=O)CNCCCC(C)O 2230a_100000693194_200000718107 [0,1,0,0,0,0|2,0,0]=3 3065 B11R0.111 CNC(=O)CNCCCS(=O)C 2230a_200000753449_100000183359 [0,1,0,0,0,0|3,0,0]=4 3066 B11R0.111 CNC(=O)CNCCOC(C)C 2230a_100000693194_100000211751 [0,1,0,0,0,0|3,0,0]=4 3067 B11R0.111 CNC(=O)CNCCOC(C)C 2230a_100000701111_100000183359 [0,1,0,0,0,0|3,0,0]=4 3068 B11R0.111 CNC(=O)CNCCOC(C)C 34a_100000701111_100000183359 [0,1,0,0,0,0|3,0,0]=4 3069 B11R0.111 CNC(=O)CNCCSC(C)C 2230a_100000693194_100000730970 [0,1,0,0,0,0|3,0,0]=4 3070 B11R0.111 CNC(=O)CNCCSC(C)C 2230a_100000731138_100000183359 [0,1,0,0,0,0|3,0,0]=4 3071 B11R0.111 CNC(=O)CNCCSC(C)C 34a_100000731138_100000183359 [0,1,0,0,0,0|3,0,0]=4 3072 B11R0.111 CNC(=O)COCCCC(=O)C 34a_100000750040_100000685027 [0,1,0,0,0,0|2,0,1]=4 3073 B11R0.111 CNC(=O)COCCCC(=O)C 34a_100000759063_100000183359 [0,1,0,0,0,0|2,0,1]=4 3074 B11R0.111 CNC(=O)COCCCC(=O)C 7a_100000759063_100000183359 [0,1,0,0,0,0|2,0,1]=4 3075 B11R0.111 CNC(=O)COCCCC(C)C 34a_100000210774_100000183359 [0,1,0,0,0,0|2,0,0]=3 3076 B11R0.111 CNC(=O)COCCCC(C)C 34a_100000750040_100011214892 [0,1,0,0,0,0|2,0,0]=3 3077 B11R0.111 CNC(=O)COCCCC(C)C 7a_100000210774_100000183359 [0,1,0,0,0,0|2,0,0]=3 3078 B11R0.111 CNC(=O)COCCCC(C)O 34a_100000750040_200000718107 [0,1,0,0,0,0|2,0,0]=3 3079 B11R0.111 CNC(=O)COCCNC(C)C 34a_100000224655_100000183359 [0,1,0,0,0,0|3,0,0]=4 3080 B11R0.111 CNC(=O)COCCOC(C)C 34a_100000211219_100000183359 [0,1,0,0,0,0|3,0,0]=4 3081 B11R0.111 CNC(=O)COCCOC(C)C 34a_100000750040_100000211751 [0,1,0,0,0,0|3,0,0]=4 3082 B11R0.111 CNC(=O)COCCOC(C)C 7a_100000211219_100000183359 [0,1,0,0,0,0|3,0,0]=4 3083 B11R0.111 CNC(=O)COCCSC(C)C 34a_100000750040_100000730970 [0,1,0,0,0,0|3,0,0]=4 3084 B11R0.111 CNC(=O)COCCSC(C)C 34a_200011212901_100000183359 [0,1,0,0,0,0|3,0,0]=4 3085 B11R0.111 CNC(=O)COCCSC(C)C 7a_200011212901_100000183359 [0,1,0,0,0,0|3,0,0]=4 3086 B11R0.111 CNC(=O)CSCCCC(=O)C 62a_100000183359_100011215641 [0,1,0,0,0,0|2,0,1]=4 3087 B11R0.111 CNC(=O)CSCCCC(=O)C 62a_100011215641_100000183359 [0,1,0,0,0,0|2,0,1]=4 3088 B11R0.111 CNC(=O)CSCCCC(C)C 62a_100000183359_100011214892 [0,1,0,0,0,0|2,0,0]=3 3089 B11R0.111 CNC(=O)CSCCCC(C)C 62a_100011214892_100000183359 [0,1,0,0,0,0|2,0,0]=3 3090 B11R0.111 CNC(=O)CSCCCC(C)O 62a_100000183359_200000718107 [0,1,0,0,0,0|2,0,0]=3 3091 B11R0.111 CNC(=O)CSCCCC(C)O 62a_200000718107_100000183359 [0,1,0,0,0,0|2,0,0]=3 3092 B11R0.111 CNC(=O)CSCCCN(C)C 62a_100000183359_100000757444 [0,1,0,0,0,0|3,0,0]=4 3093 B11R0.111 CNC(=O)CSCCOC(C)C 62a_100000183359_100000211751 [0,1,0,0,0,0|3,0,0]=4 3094 B11R0.111 CNC(=O)CSCCOC(C)C 62a_100000211751_100000183359 [0,1,0,0,0,0|3,0,0]=4 3095 B11R0.111 CNC(=O)CSCCSC(C)C 62a_100000183359_100000730970 [0,1,0,0,0,0|3,0,0]=4 3096 B11R0.111 CNC(=O)CSCCSC(C)C 62a_100000730970_100000183359 [0,1,0,0,0,0|3,0,0]=4 3097 B11R0.111 CNC(=O)NCCCCN(C)C 2708a_100025707445_106832991635 [0,1,0,0,0,0|3,0,0]=4 3098 B11R0.111 CNC(=O)NCCCCN(C)C 2708a_100102657272_100025707445 [0,1,0,0,0,0|3,0,0]=4 3099 B11R0.111 CNC(=O)NCCCCN(C)C 273464a_100025707445_100102657272 [0,1,0,0,0,0|3,0,0]=4 3100 B11R0.111 CNC(=O)NCCCCN(C)C 273464a_100102657272_100025707445 [0,1,0,0,0,0|3,0,0]=4 3101 B11R0.111 CNC(=O)NCCCCN(C)C 512a_100025707445_100102657272 [0,1,0,0,0,0|3,0,0]=4 3102 B11R0.111 CNC(=O)NCCCCN(C)C 512a_106832991638_100025707445 [0,1,0,0,0,0|3,0,0]=4 3103 B11R0.111 CNC(=O)NCCCOC(C)C 2708a_100000737246_106832991635 [0,1,0,0,0,0|3,0,0]=4 3104 B11R0.111 CNC(=O)NCCCOC(C)C 2708a_100102657272_100000737246 [0,1,0,0,0,0|3,0,0]=4 3105 B11R0.111 CNC(=O)NCCCOC(C)C 273464a_100000737246_100102657272 [0,1,0,0,0,0|3,0,0]=4 3106 B11R0.111 CNC(=O)NCCCOC(C)C 273464a_100102657272_100000737246 [0,1,0,0,0,0|3,0,0]=4 3107 B11R0.111 CNC(=O)NCCCOC(C)C 512a_100000737246_100102657272 [0,1,0,0,0,0|3,0,0]=4 3108 B11R0.111 CNC(=O)NCCCOC(C)C 512a_106832991638_100000737246 [0,1,0,0,0,0|3,0,0]=4 3109 B11R0.111 CNC(=O)NCCNCC(C)C 34a_100015205895_100000210624 [0,1,0,0,0,0|3,0,0]=4 3110 B11R0.111 CNC(=O)NCCNCC(C)O 34a_100015205895_100011218427 [0,1,0,0,0,0|3,0,0]=4 3111 B11R0.111 CNC(=O)NCCNC[C@@H](C)O 34a_100015205895_100009817552 [0,1,0,0,0,0|3,0,0]=4 3112 B11R0.111 CNC(=O)OCCNCC(C)C 34a_100000210953_200011997002 [0,1,0,0,0,0|3,0,0]=4 3113 B11R0.111 CNC(=O)OCCNCC(C)O 34a_100000210904_200011997002 [0,1,0,0,0,0|3,0,0]=4 3114 B11R0.111 CNC(=O)OCCOCC(C)Br 34a_100012180447_200011997002 [0,1,0,0,0,0|3,0,0]=4 3115 B11R0.111 CNC(=O)OCCOCC(C)C 34a_100000210257_200011997002 [0,1,0,0,0,0|3,0,0]=4 3116 B11R0.111 CNC(=O)OCCOCC(C)F 34a_100015925927_200011997002 [0,1,0,0,0,0|3,0,0]=4 3117 B11R0.111 CNC(=O)OCCOC[C@@H](C)Cl 34a_100016084084_200011997002 [0,1,0,0,0,0|3,0,0]=4 3118 B11R0.111 CNC(=O)OCCOC[C@@H](C)N 34a_100000737577_200011997002 [0,1,0,0,0,0|3,0,0]=4 3119 B11R0.111 CNC(=O)OCCSCC(C)C 62a_100000210624_200011997002 [0,1,0,0,0,0|3,0,0]=4 3120 B11R0.111 CNC(=O)OCCSCC(C)C 62a_200011997002_100000210760 [0,1,0,0,0,0|3,0,0]=4 3121 B11R0.111 CNC(=O)OCCSCC(C)O 62a_100011218427_200011997002 [0,1,0,0,0,0|3,0,0]=4 3122 B11R0.111 CNC(=O)OCCSCC(C)O 62a_200011997002_100011218427 [0,1,0,0,0,0|3,0,0]=4 3123 B11R0.111 CNC(=O)OCCSC[C@@H](C)O 62a_100009817552_200011997002 [0,1,0,0,0,0|3,0,0]=4 3124 B11R0.111 CNC(=O)OCCSC[C@@H](C)O 62a_200011997002_100009817552 [0,1,0,0,0,0|3,0,0]=4 3125 B11R0.111 COC(=O)CCCCCC(=O)C 1458a_100000070787_100009816466 [0,1,0,0,0,0|2,0,1]=4 3126 B11R0.111 COC(=O)CCCCCC(=O)C 1458a_100009848860_200000210301 [0,1,0,0,0,0|2,0,1]=4 3127 B11R0.111 COC(=O)CCCCCC(=O)[13CH3] 1458a_100009848860_200025704644 [0,1,0,0,0,0|2,0,1]=4 3128 B11R0.111 COC(=O)CCCCCN(C)C 2230a_100102631434_100009816466 [0,1,0,0,0,0|3,0,0]=4 3129 B11R0.111 COC(=O)CCCCCN(C)C 269982a_100102631434_100009816466 [0,1,0,0,0,0|3,0,0]=4 3130 B11R0.111 COC(=O)CCCCNC(C)C 2230a_100138425928_100000204269 [0,1,0,0,0,0|3,0,0]=4 3131 B11R0.111 COC(=O)CCCCNC(C)C 34a_100138425928_100000204269 [0,1,0,0,0,0|3,0,0]=4 3132 B11R0.111 COC(=O)CCCCOC(C)C 34a_100000059025_100000210206 [0,1,0,0,0,0|3,0,0]=4 3133 B11R0.111 COC(=O)CCCCOC(C)C 34a_100000212225_100000204269 [0,1,0,0,0,0|3,0,0]=4 3134 B11R0.111 COC(=O)CCCCOC(C)C 7a_100000059025_100000210206 [0,1,0,0,0,0|3,0,0]=4 3135 B11R0.111 COC(=O)CCCCSC(C)C 62a_100000204269_100000210206 [0,1,0,0,0,0|3,0,0]=4 3136 B11R0.111 COC(=O)CCCCSC(C)C 62a_100000210206_100000204269 [0,1,0,0,0,0|3,0,0]=4 3137 B11R0.111 COC(=O)CCCNCC(C)C 2230a_100000210953_100011218270 [0,1,0,0,0,0|3,0,0]=4 3138 B11R0.111 COC(=O)CCCNCC(C)C 34a_100000210953_100000742333 [0,1,0,0,0,0|3,0,0]=4 3139 B11R0.111 COC(=O)CCCNCC(C)O 2230a_100000210904_100011218270 [0,1,0,0,0,0|3,0,0]=4 3140 B11R0.111 COC(=O)CCCNCC(C)O 34a_100000210904_100000742333 [0,1,0,0,0,0|3,0,0]=4 3141 B11R0.111 COC(=O)CCCOCC(C)Br 34a_100012180447_100000742333 [0,1,0,0,0,0|3,0,0]=4 3142 B11R0.111 COC(=O)CCCOCC(C)C 34a_100000210257_100000742333 [0,1,0,0,0,0|3,0,0]=4 3143 B11R0.111 COC(=O)CCCOCC(C)F 34a_100015925927_100000742333 [0,1,0,0,0,0|3,0,0]=4 3144 B11R0.111 COC(=O)CCCOC[C@@H](C)Cl 34a_100016084084_100000742333 [0,1,0,0,0,0|3,0,0]=4 3145 B11R0.111 COC(=O)CCCOC[C@@H](C)N 34a_100000737577_100000742333 [0,1,0,0,0,0|3,0,0]=4 3146 B11R0.111 COC(=O)CCCSCC(C)C 62a_100000210624_100011218270 [0,1,0,0,0,0|3,0,0]=4 3147 B11R0.111 COC(=O)CCCSCC(C)C 62a_100011218270_100000210760 [0,1,0,0,0,0|3,0,0]=4 3148 B11R0.111 COC(=O)CCCSCC(C)O 62a_100011218270_100011218427 [0,1,0,0,0,0|3,0,0]=4 3149 B11R0.111 COC(=O)CCCSCC(C)O 62a_100011218427_100011218270 [0,1,0,0,0,0|3,0,0]=4 3150 B11R0.111 COC(=O)CCCSC[C@@H](C)O 62a_100009817552_100011218270 [0,1,0,0,0,0|3,0,0]=4 3151 B11R0.111 COC(=O)CCCSC[C@@H](C)O 62a_100011218270_100009817552 [0,1,0,0,0,0|3,0,0]=4 3152 B11R0.111 COC(=O)CCNCCC(C)O 2230a_200000755665_100000204255 [0,1,0,0,0,0|3,0,0]=4 3153 B11R0.111 COC(=O)CCOCCC(C)Br 34a_100009893172_100000742370 [0,1,0,0,0,0|3,0,0]=4 3154 B11R0.111 COC(=O)CCOCCC(C)C 34a_100000210254_100000742370 [0,1,0,0,0,0|3,0,0]=4 3155 B11R0.111 COC(=O)CCOCCC(C)C 7a_100000210254_100000204255 [0,1,0,0,0,0|3,0,0]=4 3156 B11R0.111 COC(=O)CCOCC[C@@H](C)N 34a_100000706166_100000742370 [0,1,0,0,0,0|3,0,0]=4 3157 B11R0.111 COC(=O)CCSCCC(C)C 62a_100000204255_100000210312 [0,1,0,0,0,0|3,0,0]=4 3158 B11R0.111 COC(=O)CCSCCC(C)C 62a_100000210312_100000204255 [0,1,0,0,0,0|3,0,0]=4 3159 B11R0.111 COC(=O)CCSCCC(C)O 62a_100000204255_100012276601 [0,1,0,0,0,0|3,0,0]=4 3160 B11R0.111 COC(=O)CCSCCC(C)O 62a_100012276601_100000204255 [0,1,0,0,0,0|3,0,0]=4 3161 B11R0.111 COC(=O)CNCCCC(C)C 2230a_200000737386_100000747449 [0,1,0,0,0,0|3,0,0]=4 3162 B11R0.111 COC(=O)CNCCCC(C)C 34a_200000737386_100000747449 [0,1,0,0,0,0|3,0,0]=4 3163 B11R0.111 COC(=O)COCCCC(C)C 34a_100000210774_100000747449 [0,1,0,0,0,0|3,0,0]=4 3164 B11R0.111 COC(=O)COCCCC(C)C 7a_100000210774_100000747449 [0,1,0,0,0,0|3,0,0]=4 3165 B11R0.111 COC(=O)CSCCCC(C)C 62a_100000747449_100011214892 [0,1,0,0,0,0|3,0,0]=4 3166 B11R0.111 COC(=O)CSCCCC(C)C 62a_100011214892_100000747449 [0,1,0,0,0,0|3,0,0]=4 3167 B11R0.111 COC(=O)CSCCCC(C)O 62a_100000747449_200000718107 [0,1,0,0,0,0|3,0,0]=4 3168 B11R0.111 COC(=O)CSCCCC(C)O 62a_200000718107_100000747449 [0,1,0,0,0,0|3,0,0]=4 3169 B11R0.111 C[C@@H](O)COCCCC(=O)NN 34a_100000211488_100009817552 [0,1,0,0,0,0|2,0,0]=3 3170 B11R0.111 NC(=O)CCCCCC(=O)CO 1458a_100000210174_100009817443 [0,1,0,0,0,0|2,0,1]=4 3171 B11R0.111 NNC(=O)CCCOCC(F)F 34a_100000211488_100011934356 [0,1,0,0,0,0|3,0,0]=4 3172 B11R0.111 O=C(CO)CCCCCB(O)O 1458a_100000210174_200009817188 [0,1,0,0,0,0|3,0,0]=4 3173 B11R0.124 CCCCCCCC(CC)NC 270004a_106832991635_200011217162 [0,1,0,0,0,0|2,0,1]=4 3174 B11R0.142 C#CC(=O)C(C)CCCCCC 1458a_100000211873_100011215978 [0,1,0,0,0,0|2,0,0]=3 3175 B11R0.142 C=CC(=O)C(C)CCCCCC 1458a_100000185746_100011215978 [0,1,0,0,0,0|2,0,0]=3 3176 B11R0.142 C=CC(=O)N(C)CCCCCC 1626a_106256046315_100000185746 [0,1,0,0,0,0|3,0,0]=4 3177 B11R0.142 C=CC(=O)N(C)CCCCCC 240690a_106256046315_200121576911 [0,1,0,0,0,0|3,0,0]=4 3178 B11R0.142 CC(OCCCCF)C(=O)NN 34a_100000725659_100000729493 [0,1,0,0,0,0|3,0,0]=4 3179 B11R0.142 CC(OCCCCO)C(=O)NN 34a_100000725659_100011216708 [0,1,0,0,0,0|3,0,0]=4 3180 B11R0.142 CCCCCCC(=O)C(=O)NC 1458a_100011218921_100000210757 [0,1,0,0,0,0|1,0,1]=3 3181 B11R0.142 CCCCCCC(C)C(=O)CC 1458a_100000210414_100011215978 [0,1,0,0,0,0|2,0,0]=3 3182 B11R0.142 CCCCCCC(C)C(=O)CO 1458a_100000210174_100011215978 [0,1,0,0,0,0|1,0,0]=2 3183 B11R0.142 CCCCCCC(O)C(=O)CC 1458a_100011215828_100000210202 [0,1,0,0,0,0|2,0,0]=3 3184 B11R0.142 CCCCCCC(O)C(=O)CF 1458a_100011215828_100015361967 [0,1,0,0,0,0|2,0,0]=3 3185 B11R0.142 CCCCCCC(O)C(=O)NC 240690a_100102657272_100011215828 [0,1,0,0,0,0|1,0,0]=2 3186 B11R0.142 CCCCCCN(C)C(=O)CC 11a_106256046315_100000210414 [0,1,0,0,0,0|3,0,0]=4 3187 B11R0.142 CCCCCCN(C)C(=O)CC 1626a_106256046315_100000210414 [0,1,0,0,0,0|3,0,0]=4 3188 B11R0.142 CCCCCCN(C)C(=O)CC 240690a_106256046315_100000210414 [0,1,0,0,0,0|3,0,0]=4 3189 B11R0.142 CCCCCCN(C)C(=O)CC 527a_106256046315_100000210414 [0,1,0,0,0,0|3,0,0]=4 3190 B11R0.142 CCCCCCN(C)C(=O)CO 240690a_106256046315_100000210174 [0,1,0,0,0,0|2,0,0]=3 3191 B11R0.142 CCCCCCN(C)C(=O)CO 527a_106256046315_100000210174 [0,1,0,0,0,0|2,0,0]=3 3192 B11R0.142 CCCCCCN(C)C(=O)NC 2708a_100102657272_106256046315 [0,1,0,0,0,0|2,0,0]=3 3193 B11R0.142 CCCCCCN(C)C(=O)NC 273464a_100102657272_106256046315 [0,1,0,0,0,0|2,0,0]=3 3194 B11R0.142 CCCCCNC(=O)C(=O)NC 1626a_100000209983_100011218921 [0,1,0,0,0,0|2,0,1]=4 3195 B11R0.142 CCCCCNC(=O)C(=O)NC 240690a_100000209983_100011218921 [0,1,0,0,0,0|2,0,1]=4 3196 B11R0.142 CCCCCNC(=O)C(=O)NC 527a_100000209983_100011218921 [0,1,0,0,0,0|2,0,1]=4 3197 B11R0.142 CCCCCNC(C)C(=O)CC 2230a_100000209983_100000742827 [0,1,0,0,0,0|3,0,0]=4 3198 B11R0.142 CCCCCNC(C)C(=O)NC 2230a_100000209983_100000731044 [0,1,0,0,0,0|2,0,0]=3 3199 B11R0.142 CCCCCNC(C)C(=O)OC 2230a_100000209983_100000211248 [0,1,0,0,0,0|3,0,0]=4 3200 B11R0.142 CCCCCNC(F)C(=O)NC 2230a_100000209983_100009813575 [0,1,0,0,0,0|2,0,0]=3 3201 B11R0.142 CCCCCN[C@H](C)C(=O)NC 2230a_100000684985_100000210326 [0,1,0,0,0,0|2,0,0]=3 3202 B11R0.142 CCCCCN[C@H](C)C(=O)NC 34a_100000684985_100000718602 [0,1,0,0,0,0|2,0,0]=3 3203 B11R0.142 CCCCCOC(C)C(=O)CC 7a_100000210253_100000742827 [0,1,0,0,0,0|3,0,0]=4 3204 B11R0.142 CCCCCOC(C)C(=O)NC 34a_100000210253_100000731044 [0,1,0,0,0,0|2,0,0]=3 3205 B11R0.142 CCCCCOC(C)C(=O)NC 7a_100000210253_100000209862 [0,1,0,0,0,0|2,0,0]=3 3206 B11R0.142 CCCCCOC(C)C(=O)NN 34a_100000725659_100000718602 [0,1,0,0,0,0|2,0,0]=3 3207 B11R0.142 CCCCCOC(C)C(=O)OC 34a_100000210253_100000211248 [0,1,0,0,0,0|3,0,0]=4 3208 B11R0.142 CCCCCOC(C)C(=O)OC 34a_100011215400_100000718602 [0,1,0,0,0,0|3,0,0]=4 3209 B11R0.142 CCCCCOC(C)C(=O)OC 7a_100000210253_100000211248 [0,1,0,0,0,0|3,0,0]=4 3210 B11R0.142 CCCCCOC(F)C(=O)NC 34a_100000210253_100009813575 [0,1,0,0,0,0|2,0,0]=3 3211 B11R0.142 CCCCCOC(F)C(=O)NC 7a_100000210253_100009813575 [0,1,0,0,0,0|2,0,0]=3 3212 B11R0.142 CCCCCSC(C)C(=O)CC 62a_100000210326_100000742827 [0,1,0,0,0,0|3,0,0]=4 3213 B11R0.142 CCCCCSC(C)C(=O)CC 62a_100000742827_100000210326 [0,1,0,0,0,0|3,0,0]=4 3214 B11R0.142 CCCCCSC(C)C(=O)NC 62a_100000209862_100000210326 [0,1,0,0,0,0|2,0,0]=3 3215 B11R0.142 CCCCCSC(C)C(=O)NC 62a_100000210326_100000731044 [0,1,0,0,0,0|2,0,0]=3 3216 B11R0.142 CCCCCSC(C)C(=O)OC 62a_100000210326_100000211248 [0,1,0,0,0,0|3,0,0]=4 3217 B11R0.142 CCCCCSC(C)C(=O)OC 62a_100000211248_100000210326 [0,1,0,0,0,0|3,0,0]=4 3218 B11R0.142 CCCCCSC(F)C(=O)NC 62a_100000210326_100009813575 [0,1,0,0,0,0|2,0,0]=3 3219 B11R0.142 CCCCCSC(F)C(=O)NC 62a_100009813575_100000210326 [0,1,0,0,0,0|2,0,0]=3 3220 B11R0.142 CCCCNCC(C)C(=O)NC 2230a_100015187722_100000210211 [0,1,0,0,0,0|2,0,0]=3 3221 B11R0.142 CCCCNCC(C)C(=O)NC 34a_100015187722_100000210210 [0,1,0,0,0,0|2,0,0]=3 3222 B11R0.142 CCCCOCC(=O)C(=O)NC 1458a_100011218921_100011995733 [0,1,0,0,0,0|2,0,1]=4 3223 B11R0.142 CCCCOCC(C)C(=O)OC 34a_100000210227_100000698445 [0,1,0,0,0,0|3,0,0]=4 3224 B11R0.142 CCCCOCC(C)C(=O)OC 34a_100000749362_100000210210 [0,1,0,0,0,0|3,0,0]=4 3225 B11R0.142 CCCCOCC(C)C(=O)OC 7a_100000749362_100000210211 [0,1,0,0,0,0|3,0,0]=4 3226 B11R0.142 CCCCOCC(F)C(=O)OC 34a_200009849844_100000210210 [0,1,0,0,0,0|3,0,0]=4 3227 B11R0.142 CCCCOCC(N)C(=O)NN 34a_100016989258_100000210210 [0,1,0,0,0,0|2,0,0]=3 3228 B11R0.142 CCCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210210 [0,1,0,0,0,0|3,0,0]=4 3229 B11R0.142 CCCCSCC(C)C(=O)OC 62a_100000210211_100000698445 [0,1,0,0,0,0|3,0,0]=4 3230 B11R0.142 CCCCSCC(C)C(=O)OC 62a_100000698445_100000210210 [0,1,0,0,0,0|3,0,0]=4 3231 B11R0.142 CCCOCCC(=O)C(=O)NC 1458a_100011218921_100011215938 [0,1,0,0,0,0|2,0,1]=4 3232 B11R0.142 CCCOCCC(C)C(=O)OC 34a_100000210258_100000034942 [0,1,0,0,0,0|3,0,0]=4 3233 B11R0.142 CCCSCCC(C)C(=O)OC 62a_100000034942_100000210303 [0,1,0,0,0,0|3,0,0]=4 3234 B11R0.142 CCCSCCC(C)C(=O)OC 62a_100000210303_100000034942 [0,1,0,0,0,0|3,0,0]=4 3235 B11R0.142 CCOCCCC(=O)C(=O)NC 1458a_100011218921_100012232248 [0,1,0,0,0,0|2,0,1]=4 3236 B11R0.142 CCOCCNC(C)C(=O)NC 2230a_102516460346_100000731044 [0,1,0,0,0,0|3,0,0]=4 3237 B11R0.142 CCOCCNC(C)C(=O)NC 34a_102516460346_100000731044 [0,1,0,0,0,0|3,0,0]=4 3238 B11R0.142 CCOCCNC(F)C(=O)NC 2230a_102516460346_100009813575 [0,1,0,0,0,0|3,0,0]=4 3239 B11R0.142 CCOCCNC(F)C(=O)NC 34a_102516460346_100009813575 [0,1,0,0,0,0|3,0,0]=4 3240 B11R0.142 CCOCCN[C@H](C)C(=O)NC 2230a_100000684985_100011215890 [0,1,0,0,0,0|3,0,0]=4 3241 B11R0.142 CCOCCN[C@H](C)C(=O)NC 34a_100000684985_100000210147 [0,1,0,0,0,0|3,0,0]=4 3242 B11R0.142 CCOCCOC(C)C(=O)NC 11a_106832991635_100000743585 [0,1,0,0,0,0|3,0,0]=4 3243 B11R0.142 CCOCCOC(C)C(=O)NC 1626a_100102657272_100000743585 [0,1,0,0,0,0|3,0,0]=4 3244 B11R0.142 CCOCCOC(C)C(=O)NC 240690a_100102657272_100000743585 [0,1,0,0,0,0|3,0,0]=4 3245 B11R0.142 CCOCCOC(C)C(=O)NC 34a_100000210136_100000731044 [0,1,0,0,0,0|3,0,0]=4 3246 B11R0.142 CCOCCOC(C)C(=O)NC 527a_100102657272_100000743585 [0,1,0,0,0,0|3,0,0]=4 3247 B11R0.142 CCOCCOC(C)C(=O)NC 7a_100000210136_100000209862 [0,1,0,0,0,0|3,0,0]=4 3248 B11R0.142 CCOCCOC(C)C(=O)NN 34a_100000725659_100000210147 [0,1,0,0,0,0|3,0,0]=4 3249 B11R0.142 CCOCCOC(F)C(=O)NC 34a_100000210136_100009813575 [0,1,0,0,0,0|3,0,0]=4 3250 B11R0.142 CCOCCOC(F)C(=O)NC 7a_100000210136_100009813575 [0,1,0,0,0,0|3,0,0]=4 3251 B11R0.142 CCOCCSC(C)C(=O)NC 62a_100000209862_100011215890 [0,1,0,0,0,0|3,0,0]=4 3252 B11R0.142 CCOCCSC(C)C(=O)NC 62a_100000210147_100000731044 [0,1,0,0,0,0|3,0,0]=4 3253 B11R0.142 CCOCCSC(F)C(=O)NC 62a_100000210147_100009813575 [0,1,0,0,0,0|3,0,0]=4 3254 B11R0.142 CCOCCSC(F)C(=O)NC 62a_100009813575_100011215890 [0,1,0,0,0,0|3,0,0]=4 3255 B11R0.142 CCSCCNC(C)C(=O)NC 2230a_100000106463_100000731044 [0,1,0,0,0,0|3,0,0]=4 3256 B11R0.142 CCSCCNC(F)C(=O)NC 2230a_100000106463_100009813575 [0,1,0,0,0,0|3,0,0]=4 3257 B11R0.142 CCSCCN[C@H](C)C(=O)NC 2230a_100000684985_100000757381 [0,1,0,0,0,0|3,0,0]=4 3258 B11R0.142 CCSCCN[C@H](C)C(=O)NC 34a_100000684985_100000757381 [0,1,0,0,0,0|3,0,0]=4 3259 B11R0.142 CCSCCOC(C)C(=O)NC 34a_100000212035_100000731044 [0,1,0,0,0,0|3,0,0]=4 3260 B11R0.142 CCSCCOC(C)C(=O)NC 7a_100000212035_100000209862 [0,1,0,0,0,0|3,0,0]=4 3261 B11R0.142 CCSCCOC(C)C(=O)NN 34a_100000725659_100000757381 [0,1,0,0,0,0|3,0,0]=4 3262 B11R0.142 CCSCCOC(F)C(=O)NC 34a_100000212035_100009813575 [0,1,0,0,0,0|3,0,0]=4 3263 B11R0.142 CCSCCOC(F)C(=O)NC 7a_100000212035_100009813575 [0,1,0,0,0,0|3,0,0]=4 3264 B11R0.142 CCSCCSC(C)C(=O)NC 62a_100000209862_100000757381 [0,1,0,0,0,0|3,0,0]=4 3265 B11R0.142 CCSCCSC(C)C(=O)NC 62a_100000757381_100000731044 [0,1,0,0,0,0|3,0,0]=4 3266 B11R0.142 CCSCCSC(F)C(=O)NC 62a_100000757381_100009813575 [0,1,0,0,0,0|3,0,0]=4 3267 B11R0.142 CCSCCSC(F)C(=O)NC 62a_100009813575_100000757381 [0,1,0,0,0,0|3,0,0]=4 3268 B11R0.142 CN(CCCCCO)C(=O)CO 240690a_100000722520_100000210174 [0,1,0,0,0,0|3,0,0]=4 3269 B11R0.142 CNC(=O)C(=O)CCCCCF 1458a_100011218921_100000729378 [0,1,0,0,0,0|2,0,1]=4 3270 B11R0.142 CNC(=O)C(=O)CCCCCO 1458a_100011218921_100000746330 [0,1,0,0,0,0|2,0,1]=4 3271 B11R0.142 CNC(=O)C(=O)CCCCOC 1458a_100011218921_100000755781 [0,1,0,0,0,0|2,0,1]=4 3272 B11R0.142 CNC(=O)C(C)CNCCCF 2230a_100015187722_100011934791 [0,1,0,0,0,0|3,0,0]=4 3273 B11R0.142 CNC(=O)C(C)CNCCCF 34a_100015187722_100011934791 [0,1,0,0,0,0|3,0,0]=4 3274 B11R0.142 CNC(=O)C(C)CNCCCO 2230a_100015187722_100000230001 [0,1,0,0,0,0|3,0,0]=4 3275 B11R0.142 CNC(=O)C(C)CNCCCO 34a_100015187722_100000230001 [0,1,0,0,0,0|3,0,0]=4 3276 B11R0.142 CNC(=O)C(C)CNCCOC 2230a_100015187722_100011201679 [0,1,0,0,0,0|3,0,0]=4 3277 B11R0.142 CNC(=O)C(C)CNCCOC 34a_100015187722_100011201679 [0,1,0,0,0,0|3,0,0]=4 3278 B11R0.142 CNC(=O)C(C)CNCCSC 2230a_100015187722_100000751147 [0,1,0,0,0,0|3,0,0]=4 3279 B11R0.142 CNC(=O)C(C)CNCCSC 34a_100015187722_100000212216 [0,1,0,0,0,0|3,0,0]=4 3280 B11R0.142 CNC(=O)C(C)NCCCCO 2230a_100000750430_100000731044 [0,1,0,0,0,0|3,0,0]=4 3281 B11R0.142 CNC(=O)C(C)NCCCCO 34a_100000750430_100000731044 [0,1,0,0,0,0|3,0,0]=4 3282 B11R0.142 CNC(=O)C(C)NCCCOC 34a_100150723488_100000731044 [0,1,0,0,0,0|3,0,0]=4 3283 B11R0.142 CNC(=O)C(C)NCCCSC 2230a_100000749238_100000731044 [0,1,0,0,0,0|3,0,0]=4 3284 B11R0.142 CNC(=O)C(C)OCCCCBr 34a_100011216708_100000731044 [0,1,0,0,0,0|3,0,0]=4 3285 B11R0.142 CNC(=O)C(C)OCCCCCl 34a_100000210776_100000731044 [0,1,0,0,0,0|3,0,0]=4 3286 B11R0.142 CNC(=O)C(C)OCCCCCl 7a_100000210776_100000209862 [0,1,0,0,0,0|3,0,0]=4 3287 B11R0.142 CNC(=O)C(C)OCCCCF 34a_100011995726_100000731044 [0,1,0,0,0,0|3,0,0]=4 3288 B11R0.142 CNC(=O)C(C)OCCCCF 7a_100011995726_100000209862 [0,1,0,0,0,0|3,0,0]=4 3289 B11R0.142 CNC(=O)C(C)OCCCCI 34a_200012148704_100000731044 [0,1,0,0,0,0|3,0,0]=4 3290 B11R0.142 CNC(=O)C(C)OCCCCN 34a_100000750430_100000731044 [0,1,0,0,0,0|3,0,0]=4 3291 B11R0.142 CNC(=O)C(C)OCCCOC 34a_100000740835_100000731044 [0,1,0,0,0,0|3,0,0]=4 3292 B11R0.142 CNC(=O)C(C)OCCCSC 34a_100000690336_100000731044 [0,1,0,0,0,0|3,0,0]=4 3293 B11R0.142 CNC(=O)C(C)OCCCSC 7a_100000690336_100000209862 [0,1,0,0,0,0|3,0,0]=4 3294 B11R0.142 CNC(=O)C(C)SCCCCF 62a_100000209862_100000729493 [0,1,0,0,0,0|3,0,0]=4 3295 B11R0.142 CNC(=O)C(C)SCCCCF 62a_100000729493_100000731044 [0,1,0,0,0,0|3,0,0]=4 3296 B11R0.142 CNC(=O)C(C)SCCCCO 62a_100000209862_100000210776 [0,1,0,0,0,0|3,0,0]=4 3297 B11R0.142 CNC(=O)C(C)SCCCCO 62a_100000210776_100000731044 [0,1,0,0,0,0|3,0,0]=4 3298 B11R0.142 CNC(=O)C(C)SCCCOC 62a_100000209862_100000709357 [0,1,0,0,0,0|3,0,0]=4 3299 B11R0.142 CNC(=O)C(C)SCCCOC 62a_100000709357_100000731044 [0,1,0,0,0,0|3,0,0]=4 3300 B11R0.142 CNC(=O)C(F)NCCCCO 2230a_100000750430_100009813575 [0,1,0,0,0,0|3,0,0]=4 3301 B11R0.142 CNC(=O)C(F)NCCCCO 34a_100000750430_100009813575 [0,1,0,0,0,0|3,0,0]=4 3302 B11R0.142 CNC(=O)C(F)NCCCOC 34a_100150723488_100009813575 [0,1,0,0,0,0|3,0,0]=4 3303 B11R0.142 CNC(=O)C(F)NCCCSC 2230a_100000749238_100009813575 [0,1,0,0,0,0|3,0,0]=4 3304 B11R0.142 CNC(=O)C(F)OCCCCBr 34a_100011216708_100009813575 [0,1,0,0,0,0|3,0,0]=4 3305 B11R0.142 CNC(=O)C(F)OCCCCCl 34a_100000210776_100009813575 [0,1,0,0,0,0|3,0,0]=4 3306 B11R0.142 CNC(=O)C(F)OCCCCCl 7a_100000210776_100009813575 [0,1,0,0,0,0|3,0,0]=4 3307 B11R0.142 CNC(=O)C(F)OCCCCF 34a_100011995726_100009813575 [0,1,0,0,0,0|3,0,0]=4 3308 B11R0.142 CNC(=O)C(F)OCCCCF 7a_100011995726_100009813575 [0,1,0,0,0,0|3,0,0]=4 3309 B11R0.142 CNC(=O)C(F)OCCCCI 34a_200012148704_100009813575 [0,1,0,0,0,0|3,0,0]=4 3310 B11R0.142 CNC(=O)C(F)OCCCCN 34a_100000750430_100009813575 [0,1,0,0,0,0|3,0,0]=4 3311 B11R0.142 CNC(=O)C(F)OCCCOC 34a_100000740835_100009813575 [0,1,0,0,0,0|3,0,0]=4 3312 B11R0.142 CNC(=O)C(F)OCCCSC 34a_100000690336_100009813575 [0,1,0,0,0,0|3,0,0]=4 3313 B11R0.142 CNC(=O)C(F)OCCCSC 7a_100000690336_100009813575 [0,1,0,0,0,0|3,0,0]=4 3314 B11R0.142 CNC(=O)C(F)SCCCCF 62a_100000729493_100009813575 [0,1,0,0,0,0|3,0,0]=4 3315 B11R0.142 CNC(=O)C(F)SCCCCF 62a_100009813575_100000729493 [0,1,0,0,0,0|3,0,0]=4 3316 B11R0.142 CNC(=O)C(F)SCCCCO 62a_100000210776_100009813575 [0,1,0,0,0,0|3,0,0]=4 3317 B11R0.142 CNC(=O)C(F)SCCCCO 62a_100009813575_100000210776 [0,1,0,0,0,0|3,0,0]=4 3318 B11R0.142 CNC(=O)C(F)SCCCOC 62a_100000709357_100009813575 [0,1,0,0,0,0|3,0,0]=4 3319 B11R0.142 CNC(=O)C(F)SCCCOC 62a_100009813575_100000709357 [0,1,0,0,0,0|3,0,0]=4 3320 B11R0.142 CNC(=O)N(C)CCCCCO 2708a_100102657272_100000722520 [0,1,0,0,0,0|3,0,0]=4 3321 B11R0.142 CNC(=O)N(C)CCCCCO 273464a_100102657272_100000722520 [0,1,0,0,0,0|3,0,0]=4 3322 B11R0.142 CNC(=O)[C@@H](C)NCCCCF 2230a_100000684985_100000729493 [0,1,0,0,0,0|3,0,0]=4 3323 B11R0.142 CNC(=O)[C@@H](C)NCCCCF 34a_100000684985_100000729493 [0,1,0,0,0,0|3,0,0]=4 3324 B11R0.142 CNC(=O)[C@@H](C)NCCCCO 2230a_100000684985_100000210776 [0,1,0,0,0,0|3,0,0]=4 3325 B11R0.142 CNC(=O)[C@@H](C)NCCCCO 34a_100000684985_100011216708 [0,1,0,0,0,0|3,0,0]=4 3326 B11R0.142 CNC(=O)[C@@H](C)NCCCOC 2230a_100000684985_100000740836 [0,1,0,0,0,0|3,0,0]=4 3327 B11R0.142 CNC(=O)[C@@H](C)NCCCOC 34a_100000684985_100000740836 [0,1,0,0,0,0|3,0,0]=4 3328 B11R0.142 CNCCCOC(C)C(=O)NC 34a_100000213112_100000731044 [0,1,0,0,0,0|3,0,0]=4 3329 B11R0.142 CNCCCOC(F)C(=O)NC 34a_100000213112_100009813575 [0,1,0,0,0,0|3,0,0]=4 3330 B11R0.142 COCCCOC(C)C(=O)NN 34a_100000725659_100000740836 [0,1,0,0,0,0|3,0,0]=4 3331 B11R0.142 COCCOCC(N)C(=O)NN 34a_100016989258_100011201679 [0,1,0,0,0,0|3,0,0]=4 3332 B11R0.142 CSCCOCC(N)C(=O)NN 34a_100016989258_100000212216 [0,1,0,0,0,0|3,0,0]=4 3333 B11R0.142 NNC(=O)C(N)COCCCF 34a_100016989258_100011934791 [0,1,0,0,0,0|3,0,0]=4 3334 B11R0.142 NNC(=O)C(N)COCCCO 34a_100016989258_100000230001 [0,1,0,0,0,0|3,0,0]=4 3335 B11R0.154 C#CC(=O)CC(=O)CCCCC 1458a_100000211873_200012276598 [0,1,0,0,0,0|2,0,1]=4 3336 B11R0.154 C=CC(=O)CC(=O)CCCCC 1458a_100000185746_200012276598 [0,1,0,0,0,0|2,0,1]=4 3337 B11R0.154 C=CC(=O)NC(C)CCCCC 1626a_100000211957_100000185746 [0,1,0,0,0,0|3,0,0]=4 3338 B11R0.154 C=CC(=O)NC(C)CCCCC 240690a_100000211957_200121576911 [0,1,0,0,0,0|3,0,0]=4 3339 B11R0.154 CCCCCC(=O)CC(=O)CC 1458a_100000210414_200012276598 [0,1,0,0,0,0|2,0,1]=4 3340 B11R0.154 CCCCCC(=O)CC(=O)CC 1458a_100000212188_100000747405 [0,1,0,0,0,0|2,0,1]=4 3341 B11R0.154 CCCCCC(=O)CC(=O)CO 1458a_100000210174_200012276598 [0,1,0,0,0,0|1,0,1]=3 3342 B11R0.154 CCCCCC(=O)CC(=O)NC 1458a_100000212188_100000183359 [0,1,0,0,0,0|1,0,1]=3 3343 B11R0.154 CCCCCC(=O)CC(=O)OC 1458a_100000211351_100000210326 [0,1,0,0,0,0|2,0,1]=4 3344 B11R0.154 CCCCCC(=O)CC(=O)OC 1458a_100000212188_100000747449 [0,1,0,0,0,0|2,0,1]=4 3345 B11R0.154 CCCCCC(C)NC(=O)CC 11a_100000211957_100000210414 [0,1,0,0,0,0|3,0,0]=4 3346 B11R0.154 CCCCCC(C)NC(=O)CC 1626a_100000211957_100000210414 [0,1,0,0,0,0|3,0,0]=4 3347 B11R0.154 CCCCCC(C)NC(=O)CC 240690a_100000211957_100000210414 [0,1,0,0,0,0|3,0,0]=4 3348 B11R0.154 CCCCCC(C)NC(=O)CC 527a_100000211957_100000210414 [0,1,0,0,0,0|3,0,0]=4 3349 B11R0.154 CCCCCC(C)NC(=O)CO 240690a_100000211957_100000210174 [0,1,0,0,0,0|2,0,0]=3 3350 B11R0.154 CCCCCC(C)NC(=O)CO 527a_100000211957_100000210174 [0,1,0,0,0,0|2,0,0]=3 3351 B11R0.154 CCCCCC(C)NC(=O)NC 2708a_100000211957_106832991635 [0,1,0,0,0,0|2,0,0]=3 3352 B11R0.154 CCCCCC(C)NC(=O)NC 2708a_100102657272_100000211957 [0,1,0,0,0,0|2,0,0]=3 3353 B11R0.154 CCCCCC(C)NC(=O)NC 273464a_100000211957_100102657272 [0,1,0,0,0,0|2,0,0]=3 3354 B11R0.154 CCCCCC(C)NC(=O)NC 273464a_100102657272_100000211957 [0,1,0,0,0,0|2,0,0]=3 3355 B11R0.154 CCCCCC(C)NC(=O)NC 512a_100000211957_100102657272 [0,1,0,0,0,0|2,0,0]=3 3356 B11R0.154 CCCCCC(C)NC(=O)NC 512a_106832991638_100000211957 [0,1,0,0,0,0|2,0,0]=3 3357 B11R0.154 CCCCCN(C)CC(=O)CC 269982a_100000223495_100000747405 [0,1,0,0,0,0|3,0,0]=4 3358 B11R0.154 CCCCCN(C)CC(=O)NC 2230a_100000189611_100000210326 [0,1,0,0,0,0|2,0,0]=3 3359 B11R0.154 CCCCCN(C)CC(=O)NC 2230a_100000223495_100000183359 [0,1,0,0,0,0|2,0,0]=3 3360 B11R0.154 CCCCCN(C)CC(=O)NC 269982a_100000223495_100000183359 [0,1,0,0,0,0|2,0,0]=3 3361 B11R0.154 CCCCCN(C)CC(=O)OC 2230a_100000198492_100000210326 [0,1,0,0,0,0|3,0,0]=4 3362 B11R0.154 CCCCCN(C)CC(=O)OC 2230a_100000223495_100000747449 [0,1,0,0,0,0|3,0,0]=4 3363 B11R0.154 CCCCCN(C)CC(=O)OC 269982a_100000223495_100000747449 [0,1,0,0,0,0|3,0,0]=4 3364 B11R0.154 CCCCNC(=O)CC(=O)CO 1458a_100000210174_100000182744 [0,1,0,0,0,0|2,0,1]=4 3365 B11R0.154 CCCCNC(C)CC(=O)OC 2230a_100000102301_100009817358 [0,1,0,0,0,0|3,0,0]=4 3366 B11R0.154 CCCCNC(C)CC(=O)OC 7a_106832991798_100009817358 [0,1,0,0,0,0|3,0,0]=4 3367 B11R0.154 CCCCOC(=O)CC(=O)CO 1458a_100000210174_100000211628 [0,1,0,0,0,0|2,0,1]=4 3368 B11R0.154 CCCCOC(C)CC(=O)OC 34a_100000210227_100009817358 [0,1,0,0,0,0|3,0,0]=4 3369 B11R0.154 CCCCOC(C)CC(=O)OC 7a_100000210227_100009817358 [0,1,0,0,0,0|3,0,0]=4 3370 B11R0.154 CCCCSC(C)CC(=O)OC 62a_100000210211_100009817358 [0,1,0,0,0,0|3,0,0]=4 3371 B11R0.154 CCCCSC(C)CC(=O)OC 62a_100009817358_100000210210 [0,1,0,0,0,0|3,0,0]=4 3372 B11R0.154 CCCOCC(=O)CC(=O)NC 1458a_100000745993_100000183359 [0,1,0,0,0,0|2,0,1]=4 3373 B11R0.154 CCCOC[C@H](O)CC(=O)OC 34a_100000210258_100000754131 [0,1,0,0,0,0|3,0,0]=4 3374 B11R0.154 CCCSCC(=O)CC(=O)NC 1458a_100000217233_100000183359 [0,1,0,0,0,0|2,0,1]=4 3375 B11R0.154 CCCSC[C@H](O)CC(=O)OC 62a_100000210303_100000754131 [0,1,0,0,0,0|3,0,0]=4 3376 B11R0.154 CCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000210303 [0,1,0,0,0,0|3,0,0]=4 3377 B11R0.154 CCOCCC(=O)CC(=O)NC 1458a_100000749530_100000183359 [0,1,0,0,0,0|2,0,1]=4 3378 B11R0.154 CCOCCN(C)CC(=O)NC 2230a_100000189611_100011215890 [0,1,0,0,0,0|3,0,0]=4 3379 B11R0.154 CCSCCC(=O)CC(=O)NC 1458a_100000230768_100000183359 [0,1,0,0,0,0|2,0,1]=4 3380 B11R0.154 CCSCCN(C)CC(=O)NC 2230a_100000189611_100000757381 [0,1,0,0,0,0|3,0,0]=4 3381 B11R0.154 CNC(=O)CC(=O)CCCCO 1458a_100000695505_100000183359 [0,1,0,0,0,0|2,0,1]=4 3382 B11R0.154 CNC(=O)CC(=O)CCCOC 1458a_100000741012_100000183359 [0,1,0,0,0,0|2,0,1]=4 3383 B11R0.154 CNC(=O)CC(=O)CCCSC 1458a_100000173376_100000183359 [0,1,0,0,0,0|2,0,1]=4 3384 B11R0.154 CNC(=O)CN(C)CCCCF 2230a_100000189611_100000729493 [0,1,0,0,0,0|3,0,0]=4 3385 B11R0.154 CNC(=O)CN(C)CCCCO 2230a_100000189611_100000210776 [0,1,0,0,0,0|3,0,0]=4 3386 B11R0.154 CNC(=O)CN(C)CCCCO 2230a_100000717598_100000183359 [0,1,0,0,0,0|3,0,0]=4 3387 B11R0.154 CNC(=O)CN(C)CCCCO 269982a_100000717598_100000183359 [0,1,0,0,0,0|3,0,0]=4 3388 B11R0.154 CNC(=O)CN(C)CCCOC 2230a_100000189611_100000740836 [0,1,0,0,0,0|3,0,0]=4 3389 B11R0.154 CNC(=O)CN(C)CCCOC 2230a_100000224831_100000183359 [0,1,0,0,0,0|3,0,0]=4 3390 B11R0.154 CNC(=O)CN(C)CCCOC 269982a_100000224831_100000183359 [0,1,0,0,0,0|3,0,0]=4 3391 B11R0.174 CCCC(=O)CCCC(=O)NC 1458a_100000211992_100000741757 [0,1,0,0,0,0|1,0,1]=3 3392 B11R0.174 CCCC(=O)CCCC(=O)OC 1458a_100000211992_100011218270 [0,1,0,0,0,0|2,0,1]=4 3393 B11R0.174 CCCC(=O)CCCC(=O)OC 1458a_100000239890_100000210303 [0,1,0,0,0,0|2,0,1]=4 3394 B11R0.174 CCCC(=O)CCOC(=O)NC 1458a_100000211992_200011997002 [0,1,0,0,0,0|2,0,1]=4 3395 B11R0.174 CCCC(=O)CNCC(=O)NC 2230a_100000693194_100000747444 [0,1,0,0,0,0|2,0,1]=4 3396 B11R0.174 CCCC(=O)CSCC(=O)NC 62a_100000183359_100000747444 [0,1,0,0,0,0|2,0,1]=4 3397 B11R0.174 CCCC(=O)CSCC(=O)NC 62a_100000747444_100000183359 [0,1,0,0,0,0|2,0,1]=4 3398 B11R0.174 CCCC(=O)NCCC(=O)NC 11a_100000738227_100000211992 [0,1,0,0,0,0|2,0,1]=4 3399 B11R0.174 CCCC(=O)NCCC(=O)NC 240690a_100000738227_100000211992 [0,1,0,0,0,0|2,0,1]=4 3400 B11R0.174 CCCC(=O)NCCC(=O)NC 527a_100000738227_100000211992 [0,1,0,0,0,0|2,0,1]=4 3401 B11R0.174 CCCC(C)CNCC(=O)NC 2230a_100000693194_100011216630 [0,1,0,0,0,0|2,0,0]=3 3402 B11R0.174 CCCC(C)CNCC(=O)NC 270004a_100000693194_100000243154 [0,1,0,0,0,0|2,0,0]=3 3403 B11R0.174 CCCC(C)COCC(=O)CC 34a_100000725409_100011216630 [0,1,0,0,0,0|3,0,0]=4 3404 B11R0.174 CCCC(C)COCC(=O)CC 7a_100000688023_100000747405 [0,1,0,0,0,0|3,0,0]=4 3405 B11R0.174 CCCC(C)COCC(=O)NC 34a_100000688023_100000183359 [0,1,0,0,0,0|2,0,0]=3 3406 B11R0.174 CCCC(C)COCC(=O)NC 34a_100000750040_100011216630 [0,1,0,0,0,0|2,0,0]=3 3407 B11R0.174 CCCC(C)COCC(=O)NC 7a_100000688023_100000183359 [0,1,0,0,0,0|2,0,0]=3 3408 B11R0.174 CCCC(C)COCC(=O)OC 34a_100000688023_100000747449 [0,1,0,0,0,0|3,0,0]=4 3409 B11R0.174 CCCC(C)COCC(=O)OC 7a_100000688023_100000747449 [0,1,0,0,0,0|3,0,0]=4 3410 B11R0.174 CCCC(C)CSCC(=O)CC 62a_100000747405_100011216630 [0,1,0,0,0,0|3,0,0]=4 3411 B11R0.174 CCCC(C)CSCC(=O)CC 62a_100011216630_100000747405 [0,1,0,0,0,0|3,0,0]=4 3412 B11R0.174 CCCC(C)CSCC(=O)NC 62a_100000183359_100011216630 [0,1,0,0,0,0|2,0,0]=3 3413 B11R0.174 CCCC(C)CSCC(=O)NC 62a_100011216630_100000183359 [0,1,0,0,0,0|2,0,0]=3 3414 B11R0.174 CCCC(C)CSCC(=O)OC 62a_100000747449_100011216630 [0,1,0,0,0,0|3,0,0]=4 3415 B11R0.174 CCCC(C)CSCC(=O)OC 62a_100011216630_100000747449 [0,1,0,0,0,0|3,0,0]=4 3416 B11R0.174 CCCC(C)NCCC(=O)NC 2230a_100000738227_100000766640 [0,1,0,0,0,0|2,0,0]=3 3417 B11R0.174 CCCC(C)NCCC(=O)NC 2230a_100000741246_100000737683 [0,1,0,0,0,0|2,0,0]=3 3418 B11R0.174 CCCC(C)NCCC(=O)NC 270004a_100000738227_100000211909 [0,1,0,0,0,0|2,0,0]=3 3419 B11R0.174 CCCC(C)NCCC(=O)NC 34a_100000738227_100000766640 [0,1,0,0,0,0|2,0,0]=3 3420 B11R0.174 CCCC(C)NCCC(=O)OC 2230a_100000741246_100000204255 [0,1,0,0,0,0|3,0,0]=4 3421 B11R0.174 CCCC(C)OCCC(=NO)N 34a_100000749954_100000766640 [0,1,0,0,0,0|2,0,1]=4 3422 B11R0.174 CCCC(C)OCCC(=O)NC 34a_100000754576_100000766640 [0,1,0,0,0,0|2,0,0]=3 3423 B11R0.174 CCCC(C)OCCC(=O)NC 34a_100000764384_100012179268 [0,1,0,0,0,0|2,0,0]=3 3424 B11R0.174 CCCC(C)OCCC(=O)NC 7a_100000764384_100000737683 [0,1,0,0,0,0|2,0,0]=3 3425 B11R0.174 CCCC(C)OCCC(=O)OC 34a_100000764384_100000742370 [0,1,0,0,0,0|3,0,0]=4 3426 B11R0.174 CCCC(C)OCCC(=O)OC 7a_100000764384_100000204255 [0,1,0,0,0,0|3,0,0]=4 3427 B11R0.174 CCCC(C)SCCC(=O)NC 62a_100000737683_100000766640 [0,1,0,0,0,0|2,0,0]=3 3428 B11R0.174 CCCC(C)SCCC(=O)NC 62a_100000766640_100000737683 [0,1,0,0,0,0|2,0,0]=3 3429 B11R0.174 CCCC(C)SCCC(=O)OC 62a_100000204255_100000766640 [0,1,0,0,0,0|3,0,0]=4 3430 B11R0.174 CCCC(C)SCCC(=O)OC 62a_100000766640_100000204255 [0,1,0,0,0,0|3,0,0]=4 3431 B11R0.174 CCCN(C)CCCC(=O)NC 2230a_100000747261_100000741757 [0,1,0,0,0,0|2,0,0]=3 3432 B11R0.174 CCCN(C)CCCC(=O)NC 269982a_100000747261_100000741757 [0,1,0,0,0,0|2,0,0]=3 3433 B11R0.174 CCCN(C)CCCC(=O)OC 2230a_100000747261_100011218270 [0,1,0,0,0,0|3,0,0]=4 3434 B11R0.174 CCCN(C)CCCC(=O)OC 269982a_100000739225_100000210303 [0,1,0,0,0,0|3,0,0]=4 3435 B11R0.174 CCCN(C)CCCC(=O)OC 269982a_100000747261_100011218270 [0,1,0,0,0,0|3,0,0]=4 3436 B11R0.174 CCCN(C)CCOC(=O)NC 269982a_100000747261_200011997002 [0,1,0,0,0,0|3,0,0]=4 3437 B11R0.174 CCC[C@H](N)COCC(=O)NC 34a_100000732646_100000183359 [0,1,0,0,0,0|2,0,0]=3 3438 B11R0.174 CCC[C@H](N)COCC(=O)OC 34a_100000732646_100000747449 [0,1,0,0,0,0|3,0,0]=4 3439 B11R0.174 CCNC(=O)CCCC(=O)NC 11a_106832991635_100000199580 [0,1,0,0,0,0|2,0,1]=4 3440 B11R0.174 CCNC(=O)CCCC(=O)NC 1626a_100102657272_100000199580 [0,1,0,0,0,0|2,0,1]=4 3441 B11R0.174 CCNC(=O)CCCC(=O)NC 240690a_100102657272_100000199580 [0,1,0,0,0,0|2,0,1]=4 3442 B11R0.174 CCNC(=O)CCCC(=O)NC 527a_100102657272_100000199580 [0,1,0,0,0,0|2,0,1]=4 3443 B11R0.174 CCOC(=O)CCCC(=O)CO 1458a_100000210174_100011215271 [0,1,0,0,0,0|2,0,1]=4 3444 B11R0.174 CCOC(=O)CCCC(=O)NC 11a_106832991635_100000210991 [0,1,0,0,0,0|2,0,1]=4 3445 B11R0.174 CCOC(=O)CCCC(=O)NC 1626a_100102657272_100000210991 [0,1,0,0,0,0|2,0,1]=4 3446 B11R0.174 CCOC(=O)CCCC(=O)NC 240690a_100102657272_100000210991 [0,1,0,0,0,0|2,0,1]=4 3447 B11R0.174 CCOC(=O)CCCC(=O)NC 527a_100102657272_100000210991 [0,1,0,0,0,0|2,0,1]=4 3448 B11R0.174 CNC(=O)CCCC(=O)CCO 1458a_100011216618_100000741757 [0,1,0,0,0,0|2,0,1]=4 3449 B11R0.174 CNC(=O)CCCC(=O)COC 1458a_100000210968_100000741757 [0,1,0,0,0,0|2,0,1]=4 3450 B11R0.174 CNC(=O)CCCC(=O)CSC 1458a_100000184570_100000741757 [0,1,0,0,0,0|2,0,1]=4 3451 B11R0.174 CNC(=O)CCCN(C)CCO 2230a_100000210263_100000741757 [0,1,0,0,0,0|3,0,0]=4 3452 B11R0.174 CNC(=O)CCCN(C)CCO 269982a_100000210263_100000741757 [0,1,0,0,0,0|3,0,0]=4 3453 B11R0.174 CNC(=O)CCNC(C)CCO 2230a_100000738227_100009893172 [0,1,0,0,0,0|3,0,0]=4 3454 B11R0.174 CNC(=O)CCNC(C)CCO 34a_100000738227_100009893172 [0,1,0,0,0,0|3,0,0]=4 3455 B11R0.174 CNC(=O)CCNC(C)COC 2230a_100000738227_100000765312 [0,1,0,0,0,0|3,0,0]=4 3456 B11R0.174 CNC(=O)CCNC(C)COC 270004a_100000738227_100000749346 [0,1,0,0,0,0|3,0,0]=4 3457 B11R0.174 CNC(=O)CCNC(C)COC 34a_100000738227_100000765312 [0,1,0,0,0,0|3,0,0]=4 3458 B11R0.174 CNC(=O)CCNC(C)CSC 270004a_100000738227_100011216314 [0,1,0,0,0,0|3,0,0]=4 3459 B11R0.174 CNC(=O)CCN[C@H](C)CCO 2230a_100000706166_100000737683 [0,1,0,0,0,0|3,0,0]=4 3460 B11R0.174 CNC(=O)CCN[C@H](C)CCO 34a_100000706166_100012179268 [0,1,0,0,0,0|3,0,0]=4 3461 B11R0.174 CNC(=O)CCN[C@H](C)COC 2230a_100000764878_100000737683 [0,1,0,0,0,0|3,0,0]=4 3462 B11R0.174 CNC(=O)CCOC(C)CCBr 34a_100012276601_100012179268 [0,1,0,0,0,0|3,0,0]=4 3463 B11R0.174 CNC(=O)CCOC(C)CCO 34a_100000754576_100009893172 [0,1,0,0,0,0|3,0,0]=4 3464 B11R0.174 CNC(=O)CCOC(C)COC 34a_100000754576_100000765312 [0,1,0,0,0,0|3,0,0]=4 3465 B11R0.174 CNC(=O)CCO[C@H](C)COC 34a_100011934205_100012179268 [0,1,0,0,0,0|3,0,0]=4 3466 B11R0.174 CNC(=O)CCSC(C)CCO 62a_100000737683_100009893172 [0,1,0,0,0,0|3,0,0]=4 3467 B11R0.174 CNC(=O)CCSC(C)CCO 62a_100009893172_100000737683 [0,1,0,0,0,0|3,0,0]=4 3468 B11R0.174 CNC(=O)CCSC(C)COC 62a_100000737683_100000765312 [0,1,0,0,0,0|3,0,0]=4 3469 B11R0.174 CNC(=O)CCSC(C)COC 62a_100000765312_100000737683 [0,1,0,0,0,0|3,0,0]=4 3470 B11R0.174 CNC(=O)CNCC(O)COC 2230a_100000756049_100000183359 [0,1,0,0,0,0|3,0,0]=4 3471 B11R0.174 CNC(=O)CNCC(O)COC 34a_100000756049_100000183359 [0,1,0,0,0,0|3,0,0]=4 3472 B11R0.174 CNC(=O)COCC(C)CCN 34a_106354213184_100000183359 [0,1,0,0,0,0|3,0,0]=4 3473 B11R0.174 CNC(=O)COCC(N)COC 34a_100000724102_100000183359 [0,1,0,0,0,0|3,0,0]=4 3474 B11R0.174 CNC(=O)COCC(O)COC 34a_100000750040_100011215053 [0,1,0,0,0,0|3,0,0]=4 3475 B11R0.174 CNC(=O)CSCC(O)COC 62a_100000183359_100011215053 [0,1,0,0,0,0|3,0,0]=4 3476 B11R0.174 CNC(=O)CSCC(O)COC 62a_100011215053_100000183359 [0,1,0,0,0,0|3,0,0]=4 3477 B11R1.1 CCCNC1CCC(=O)NC1 2230a_100000748762_100000210303 [0,0,0,1,0,0|2,0,0]=3 3478 B11R1.1 CCCNC1CCC(=O)NC1 34a_100000748762_100000210303 [0,0,0,1,0,0|2,0,0]=3 3479 B11R1.1 CCCOC1CCC(=O)CC1 34a_100000764474_100000210303 [0,0,0,1,0,0|3,0,0]=4 3480 B11R1.1 CCCOC1CCC(=O)CC1 7a_100000764474_100000210303 [0,0,0,1,0,0|3,0,0]=4 3481 B11R1.1 CCCOC1CCC(=O)NC1 34a_100000079199_100000210303 [0,0,0,1,0,0|2,0,0]=3 3482 B11R1.1 CCCOC1CNC(=O)NC1 34a_100000080929_100000210303 [0,0,0,1,0,0|3,0,0]=4 3483 B11R1.1 CCOCC1CCC(=O)CC1 34a_100000062911_100000210202 [0,0,0,1,0,0|3,0,0]=4 3484 B11R1.1 COCNC1CCC(=O)NC1 2230a_100000748762_100000766300 [0,0,0,1,0,0|3,0,0]=4 3485 B11R1.1 CSCNC1CCC(=O)NC1 2230a_100000748762_100011218213 [0,0,0,1,0,0|3,0,0]=4 3486 B11R1.1 CSCNC1CCC(=O)NC1 34a_100000748762_100011218213 [0,0,0,1,0,0|3,0,0]=4 3487 B11R1.1 CSCOC1CCC(=O)NC1 34a_100000079199_100011218213 [0,0,0,1,0,0|3,0,0]=4 3488 B11R1.1 O=C1CCC(CN1)NCCF 2230a_100000748762_100011217306 [0,0,0,1,0,0|3,0,0]=4 3489 B11R1.1 O=C1CCC(CN1)NCCF 34a_100000748762_100011217306 [0,0,0,1,0,0|3,0,0]=4 3490 B11R1.1 O=C1CCC(CN1)NCCO 2230a_100000748762_100000211926 [0,0,0,1,0,0|3,0,0]=4 3491 B11R1.1 O=C1CCC(CN1)NCCO 34a_100000748762_100000211926 [0,0,0,1,0,0|3,0,0]=4 3492 B11R1.1 O=C1CCC(CN1)OCCF 34a_100000079199_100011217306 [0,0,0,1,0,0|3,0,0]=4 3493 B11R1.1 O=C1CCC(CN1)OCCO 34a_100000079199_100000211926 [0,0,0,1,0,0|3,0,0]=4 3494 B11R1.13 CN1C(=O)CCCC1CN[13CH3] 2230a_200010383782_200025704644 [0,0,0,1,0,0|2,0,0]=3 3495 B11R1.13 CN1C(=O)CCCC1CN[13CH3] 34a_200010383782_200025704644 [0,0,0,1,0,0|2,0,0]=3 3496 B11R1.13 CNCC1CCCC(=O)N1C 2230a_200010383782_200000210301 [0,0,0,1,0,0|2,0,0]=3 3497 B11R1.13 CNCC1CCCC(=O)N1C 34a_200010383782_200000210301 [0,0,0,1,0,0|2,0,0]=3 3498 B11R1.25 C#CC(=O)CCC1CCCC1 1458a_100000211873_100000760354 [0,0,0,1,0,0|2,0,0]=3 3499 B11R1.25 C#CC(=O)CCN1CCCC1 1458a_100000211873_100000004467 [0,0,0,1,0,0|3,0,0]=4 3500 B11R1.25 C=CC(=O)CCC1CCCC1 1458a_100000185746_100000760354 [0,0,0,1,0,0|2,0,0]=3 3501 B11R1.25 C=CC(=O)CCN1CCCC1 1458a_100000185746_100000004467 [0,0,0,1,0,0|3,0,0]=4 3502 B11R1.25 C=CC(=O)NCC1CCCC1 1626a_100000737975_100000185746 [0,0,0,1,0,0|3,0,0]=4 3503 B11R1.25 C=CC(=O)NCC1CCCC1 240690a_100000737975_200121576911 [0,0,0,1,0,0|3,0,0]=4 3504 B11R1.25 CCC(=O)CCC1CCCC1 1458a_100000210414_100000760354 [0,0,0,1,0,0|2,0,0]=3 3505 B11R1.25 CCC(=O)CCC1CCCC1 1458a_100000211120_100000210202 [0,0,0,1,0,0|2,0,0]=3 3506 B11R1.25 CCC(=O)CCC1CCCO1 1458a_100011247709_100000210202 [0,0,0,1,0,0|3,0,0]=4 3507 B11R1.25 CCC(=O)CCN1CCCC1 1458a_100000210414_100000004467 [0,0,0,1,0,0|3,0,0]=4 3508 B11R1.25 CCC(=O)CCN1CCCC1 1458a_100000738983_100000210202 [0,0,0,1,0,0|3,0,0]=4 3509 B11R1.25 CCC(=O)COC1CCCC1 1458a_100000741352_100000210202 [0,0,0,1,0,0|3,0,0]=4 3510 B11R1.25 CCC(=O)COC1CCCC1 34a_100000725409_100000179811 [0,0,0,1,0,0|3,0,0]=4 3511 B11R1.25 CCC(=O)COC1CCCC1 7a_100000210269_100000747405 [0,0,0,1,0,0|3,0,0]=4 3512 B11R1.25 CCC(=O)CSC1CCCC1 62a_100000747405_100000179811 [0,0,0,1,0,0|3,0,0]=4 3513 B11R1.25 CCC(=O)CSC1CCCC1 62a_100011217020_100000747405 [0,0,0,1,0,0|3,0,0]=4 3514 B11R1.25 CCC(=O)NCC1CCCC1 11a_100000737975_100000210414 [0,0,0,1,0,0|3,0,0]=4 3515 B11R1.25 CCC(=O)NCC1CCCC1 1626a_100000737975_100000210414 [0,0,0,1,0,0|3,0,0]=4 3516 B11R1.25 CCC(=O)NCC1CCCC1 240690a_100000737975_100000210414 [0,0,0,1,0,0|3,0,0]=4 3517 B11R1.25 CCC(=O)NCC1CCCC1 527a_100000737975_100000210414 [0,0,0,1,0,0|3,0,0]=4 3518 B11R1.25 CNC(=O)CCC1CCCC1 11a_106832991635_100000211120 [0,0,0,1,0,0|1,0,0]=2 3519 B11R1.25 CNC(=O)CCC1CCCC1 1626a_100102657272_100000211120 [0,0,0,1,0,0|1,0,0]=2 3520 B11R1.25 CNC(=O)CCC1CCCC1 240690a_100102657272_100000211120 [0,0,0,1,0,0|1,0,0]=2 3521 B11R1.25 CNC(=O)CCC1CCCC1 527a_100102657272_100000211120 [0,0,0,1,0,0|1,0,0]=2 3522 B11R1.25 CNC(=O)CCC1CCCO1 11a_106832991635_100011247709 [0,0,0,1,0,0|2,0,0]=3 3523 B11R1.25 CNC(=O)CCC1CCCO1 1626a_100102657272_100011247709 [0,0,0,1,0,0|2,0,0]=3 3524 B11R1.25 CNC(=O)CCC1CCCO1 240690a_100102657272_100011247709 [0,0,0,1,0,0|2,0,0]=3 3525 B11R1.25 CNC(=O)CCC1CCCO1 527a_100102657272_100011247709 [0,0,0,1,0,0|2,0,0]=3 3526 B11R1.25 CNC(=O)CCN1CCCC1 2230a_100000188435_100000737683 [0,0,0,1,0,0|2,0,0]=3 3527 B11R1.25 CNC(=O)CCN1CCCC1 240690a_100102657272_100000738983 [0,0,0,1,0,0|2,0,0]=3 3528 B11R1.25 CNC(=O)CCN1CCCC1 269982a_100000188435_100000737683 [0,0,0,1,0,0|2,0,0]=3 3529 B11R1.25 CNC(=O)CCN1CCCO1 240690a_100102657272_200015187630 [0,0,0,1,0,0|3,0,0]=4 3530 B11R1.25 CNC(=O)CCN1CCSC1 2230a_100011215254_100000737683 [0,0,0,1,0,0|3,0,0]=4 3531 B11R1.25 CNC(=O)CCN1CCSC1 269982a_100011215254_100000737683 [0,0,0,1,0,0|3,0,0]=4 3532 B11R1.25 CNC(=O)CNC1CCCC1 2230a_100000211070_100000183359 [0,0,0,1,0,0|2,0,0]=3 3533 B11R1.25 CNC(=O)CNC1CCCC1 2230a_100000693194_100000179811 [0,0,0,1,0,0|2,0,0]=3 3534 B11R1.25 CNC(=O)CNC1CCCC1 270004a_100000693194_100000210133 [0,0,0,1,0,0|2,0,0]=3 3535 B11R1.25 CNC(=O)CNC1CCCC1 34a_100000211070_100000183359 [0,0,0,1,0,0|2,0,0]=3 3536 B11R1.25 CNC(=O)CNC1CCOC1 2230a_100000693194_100000731011 [0,0,0,1,0,0|3,0,0]=4 3537 B11R1.25 CNC(=O)CNC1CCOC1 270004a_100000693194_100000752484 [0,0,0,1,0,0|3,0,0]=4 3538 B11R1.25 CNC(=O)CNC1CCSC1 270004a_100000693194_100000212027 [0,0,0,1,0,0|3,0,0]=4 3539 B11R1.25 CNC(=O)CN[C@@H]1CCOC1 2230a_200015188469_100000183359 [0,0,0,1,0,0|3,0,0]=4 3540 B11R1.25 CNC(=O)CN[C@H]1CCOC1 2230a_100015188467_100000183359 [0,0,0,1,0,0|3,0,0]=4 3541 B11R1.25 CNC(=O)CN[C@H]1CCOC1 34a_100015188467_100000183359 [0,0,0,1,0,0|3,0,0]=4 3542 B11R1.25 CNC(=O)COC1CCCC1 11a_106832991635_100000741352 [0,0,0,1,0,0|2,0,0]=3 3543 B11R1.25 CNC(=O)COC1CCCC1 1626a_100102657272_100000741352 [0,0,0,1,0,0|2,0,0]=3 3544 B11R1.25 CNC(=O)COC1CCCC1 240690a_100102657272_100000741352 [0,0,0,1,0,0|2,0,0]=3 3545 B11R1.25 CNC(=O)COC1CCCC1 34a_100000210269_100000183359 [0,0,0,1,0,0|2,0,0]=3 3546 B11R1.25 CNC(=O)COC1CCCC1 34a_100000750040_100000179811 [0,0,0,1,0,0|2,0,0]=3 3547 B11R1.25 CNC(=O)COC1CCCC1 527a_100102657272_100000741352 [0,0,0,1,0,0|2,0,0]=3 3548 B11R1.25 CNC(=O)COC1CCCC1 7a_100000210269_100000183359 [0,0,0,1,0,0|2,0,0]=3 3549 B11R1.25 CNC(=O)COC1CCCO1 34a_100000085407_100000183359 [0,0,0,1,0,0|3,0,0]=4 3550 B11R1.25 CNC(=O)COC1CCOC1 34a_100000750040_100000690089 [0,0,0,1,0,0|3,0,0]=4 3551 B11R1.25 CNC(=O)COC1CCSC1 7a_100011232664_100000183359 [0,0,0,1,0,0|3,0,0]=4 3552 B11R1.25 CNC(=O)CO[C@H]1CCOC1 34a_100000717292_100000183359 [0,0,0,1,0,0|3,0,0]=4 3553 B11R1.25 CNC(=O)CSC1CCCC1 62a_100000183359_100000179811 [0,0,0,1,0,0|2,0,0]=3 3554 B11R1.25 CNC(=O)CSC1CCCC1 62a_100011217020_100000183359 [0,0,0,1,0,0|2,0,0]=3 3555 B11R1.25 CNC(=O)CSC1CCOC1 62a_100000183359_100000690089 [0,0,0,1,0,0|3,0,0]=4 3556 B11R1.25 CNC(=O)NCC1CCCC1 2708a_100000737975_106832991635 [0,0,0,1,0,0|2,0,0]=3 3557 B11R1.25 CNC(=O)NCC1CCCC1 2708a_100102657272_100000737975 [0,0,0,1,0,0|2,0,0]=3 3558 B11R1.25 CNC(=O)NCC1CCCC1 273464a_100000737975_100102657272 [0,0,0,1,0,0|2,0,0]=3 3559 B11R1.25 CNC(=O)NCC1CCCC1 273464a_100102657272_100000737975 [0,0,0,1,0,0|2,0,0]=3 3560 B11R1.25 CNC(=O)NCC1CCCC1 512a_100000737975_100102657272 [0,0,0,1,0,0|2,0,0]=3 3561 B11R1.25 CNC(=O)NCC1CCCC1 512a_106832991638_100000737975 [0,0,0,1,0,0|2,0,0]=3 3562 B11R1.25 CNC(=O)NCC1CCOC1 2708a_100000737293_106832991635 [0,0,0,1,0,0|3,0,0]=4 3563 B11R1.25 CNC(=O)NCC1CCOC1 2708a_100102657272_100000737293 [0,0,0,1,0,0|3,0,0]=4 3564 B11R1.25 CNC(=O)NCC1CCOC1 273464a_100000737293_100102657272 [0,0,0,1,0,0|3,0,0]=4 3565 B11R1.25 CNC(=O)NCC1CCOC1 273464a_100102657272_100000737293 [0,0,0,1,0,0|3,0,0]=4 3566 B11R1.25 CNC(=O)NCC1CCOC1 512a_100000737293_100102657272 [0,0,0,1,0,0|3,0,0]=4 3567 B11R1.25 CNC(=O)NCC1CCOC1 512a_106832991638_100000737293 [0,0,0,1,0,0|3,0,0]=4 3568 B11R1.25 CNC(=O)NC[C@@H]1CCCO1 2708a_100020590478_106832991635 [0,0,0,1,0,0|3,0,0]=4 3569 B11R1.25 CNC(=O)NC[C@@H]1CCCO1 2708a_100102657272_100020590478 [0,0,0,1,0,0|3,0,0]=4 3570 B11R1.25 CNC(=O)NC[C@@H]1CCCO1 273464a_100020590478_100102657272 [0,0,0,1,0,0|3,0,0]=4 3571 B11R1.25 CNC(=O)NC[C@@H]1CCCO1 273464a_100102657272_100020590478 [0,0,0,1,0,0|3,0,0]=4 3572 B11R1.25 CNC(=O)NC[C@@H]1CCCO1 512a_100020590478_100102657272 [0,0,0,1,0,0|3,0,0]=4 3573 B11R1.25 CNC(=O)NNC1CCCC1 273464a_100102657272_100000737850 [0,0,0,1,0,0|3,0,0]=4 3574 B11R1.25 CNC(=O)NNC1CCCC1 512a_106832991638_100000737850 [0,0,0,1,0,0|3,0,0]=4 3575 B11R1.25 COC(=O)CCN1CCCC1 2230a_100000188435_100000204255 [0,0,0,1,0,0|3,0,0]=4 3576 B11R1.25 COC(=O)CCN1CCCC1 269982a_100000188435_100000204255 [0,0,0,1,0,0|3,0,0]=4 3577 B11R1.25 COC(=O)CNC1CCCC1 2230a_100000211070_100000747449 [0,0,0,1,0,0|3,0,0]=4 3578 B11R1.25 COC(=O)CNC1CCCC1 34a_100000211070_100000747449 [0,0,0,1,0,0|3,0,0]=4 3579 B11R1.25 COC(=O)COC1CCCC1 34a_100000210269_100000747449 [0,0,0,1,0,0|3,0,0]=4 3580 B11R1.25 COC(=O)COC1CCCC1 7a_100000210269_100000747449 [0,0,0,1,0,0|3,0,0]=4 3581 B11R1.25 COC(=O)CSC1CCCC1 62a_100000747449_100000179811 [0,0,0,1,0,0|3,0,0]=4 3582 B11R1.25 COC(=O)CSC1CCCC1 62a_100011217020_100000747449 [0,0,0,1,0,0|3,0,0]=4 3583 B11R1.25 O=C(CF)CCC1CCCC1 1458a_100000211120_100015361967 [0,0,0,1,0,0|2,0,0]=3 3584 B11R1.25 O=C(CF)CCC1CCCO1 1458a_100011247709_100015361967 [0,0,0,1,0,0|3,0,0]=4 3585 B11R1.25 O=C(CF)CCN1CCCC1 1458a_100000738983_100015361967 [0,0,0,1,0,0|3,0,0]=4 3586 B11R1.25 O=C(CF)COC1CCCC1 1458a_100000741352_100015361967 [0,0,0,1,0,0|3,0,0]=4 3587 B11R1.25 O=C(CO)CCC1CCCC1 1458a_100000210174_100000760354 [0,0,0,1,0,0|1,0,0]=2 3588 B11R1.25 O=C(CO)CCC1OCCO1 1458a_100000210174_100000740749 [0,0,0,1,0,0|3,0,0]=4 3589 B11R1.25 O=C(CO)CCN1CCCC1 1458a_100000210174_100000004467 [0,0,0,1,0,0|2,0,0]=3 3590 B11R1.25 O=C(CO)NCC1CCCC1 240690a_100000737975_100000210174 [0,0,0,1,0,0|2,0,0]=3 3591 B11R1.25 O=C(CO)NCC1CCCC1 527a_100000737975_100000210174 [0,0,0,1,0,0|2,0,0]=3 3592 B11R1.25 O=C(CO)NCC1CCOC1 240690a_100000737293_100000210174 [0,0,0,1,0,0|3,0,0]=4 3593 B11R1.25 O=C(CO)NCC1CCOC1 527a_100000737293_100000210174 [0,0,0,1,0,0|3,0,0]=4 3594 B11R1.25 O=C(CO)NC[C@@H]1CCCO1 240690a_100020590478_100000210174 [0,0,0,1,0,0|3,0,0]=4 3595 B11R1.25 O=C(CO)NC[C@@H]1CCCO1 527a_100020590478_100000210174 [0,0,0,1,0,0|3,0,0]=4 3596 B11R1.25 O=C(CO)NNC1CCCC1 22a_100000737850_100000210174 [0,0,0,1,0,0|3,0,0]=4 3597 B11R1.27 CCCCCN1CNC(=O)C1 2230a_200000708111_100000210326 [0,0,0,1,0,0|2,0,0]=3 3598 B11R1.27 CCCCNC1CNC(=O)C1 2230a_100000697751_100000210211 [0,0,0,1,0,0|2,0,0]=3 3599 B11R1.27 CCCCOC1CCC(=O)C1 34a_100012614533_100000210210 [0,0,0,1,0,0|3,0,0]=4 3600 B11R1.27 CCCCOC1CNC(=O)C1 34a_100000690082_100000210210 [0,0,0,1,0,0|2,0,0]=3 3601 B11R1.27 CCCNCC1CNC(=O)C1 2230a_100016993742_100000210303 [0,0,0,1,0,0|2,0,0]=3 3602 B11R1.27 CCCNCC1CNC(=O)C1 34a_100016993742_100000210303 [0,0,0,1,0,0|2,0,0]=3 3603 B11R1.27 CCCOCC1CNC(=O)C1 34a_100016041077_100000210303 [0,0,0,1,0,0|2,0,0]=3 3604 B11R1.27 CCCOCC1CNC(=O)O1 34a_100000210258_100000181169 [0,0,0,1,0,0|3,0,0]=4 3605 B11R1.27 CCCOCC1CNC(=O)O1 34a_100011315639_100000210303 [0,0,0,1,0,0|3,0,0]=4 3606 B11R1.27 CCCSCC1CNC(=O)O1 62a_100000181169_100000210303 [0,0,0,1,0,0|3,0,0]=4 3607 B11R1.27 CCCSCC1CNC(=O)O1 62a_100000210303_100000181169 [0,0,0,1,0,0|3,0,0]=4 3608 B11R1.27 CCOCCN1CNC(=O)C1 2230a_200000708111_100011215890 [0,0,0,1,0,0|3,0,0]=4 3609 B11R1.27 CCSCCN1CNC(=O)C1 2230a_200000708111_100000757381 [0,0,0,1,0,0|3,0,0]=4 3610 B11R1.27 COCCCN1CNC(=O)C1 2230a_200000708111_100000740836 [0,0,0,1,0,0|3,0,0]=4 3611 B11R1.27 COCCNC1CNC(=O)C1 2230a_100000697751_100011201679 [0,0,0,1,0,0|3,0,0]=4 3612 B11R1.27 COCCOC1CNC(=O)C1 34a_100000690082_100011201679 [0,0,0,1,0,0|3,0,0]=4 3613 B11R1.27 COCNCC1CNC(=O)C1 2230a_100016993742_100000766300 [0,0,0,1,0,0|3,0,0]=4 3614 B11R1.27 CSCCNC1CNC(=O)C1 2230a_100000697751_100000751147 [0,0,0,1,0,0|3,0,0]=4 3615 B11R1.27 CSCCOC1CNC(=O)C1 34a_100000690082_100000212216 [0,0,0,1,0,0|3,0,0]=4 3616 B11R1.27 CSCNCC1CNC(=O)C1 2230a_100016993742_100011218213 [0,0,0,1,0,0|3,0,0]=4 3617 B11R1.27 CSCNCC1CNC(=O)C1 34a_100016993742_100011218213 [0,0,0,1,0,0|3,0,0]=4 3618 B11R1.27 CSCOCC1CNC(=O)C1 34a_100016041077_100011218213 [0,0,0,1,0,0|3,0,0]=4 3619 B11R1.27 O=C1CC(CN1)CNCCF 2230a_100016993742_100011217306 [0,0,0,1,0,0|3,0,0]=4 3620 B11R1.27 O=C1CC(CN1)CNCCF 34a_100016993742_100011217306 [0,0,0,1,0,0|3,0,0]=4 3621 B11R1.27 O=C1CC(CN1)CNCCO 2230a_100016993742_100000211926 [0,0,0,1,0,0|3,0,0]=4 3622 B11R1.27 O=C1CC(CN1)CNCCO 34a_100016993742_100000211926 [0,0,0,1,0,0|3,0,0]=4 3623 B11R1.27 O=C1CC(CN1)COCCF 34a_100016041077_100011217306 [0,0,0,1,0,0|3,0,0]=4 3624 B11R1.27 O=C1CC(CN1)COCCO 34a_100016041077_100000211926 [0,0,0,1,0,0|3,0,0]=4 3625 B11R1.27 O=C1CC(CN1)NCCCF 2230a_100000697751_100011934791 [0,0,0,1,0,0|3,0,0]=4 3626 B11R1.27 O=C1CC(CN1)NCCCO 2230a_100000697751_100000230001 [0,0,0,1,0,0|3,0,0]=4 3627 B11R1.27 O=C1CC(CN1)OCCCF 34a_100000690082_100011934791 [0,0,0,1,0,0|3,0,0]=4 3628 B11R1.27 O=C1CC(CN1)OCCCO 34a_100000690082_100000230001 [0,0,0,1,0,0|3,0,0]=4 3629 B11R1.27 O=C1CN(CN1)CCCCF 2230a_200000708111_100000729493 [0,0,0,1,0,0|3,0,0]=4 3630 B11R1.27 O=C1CN(CN1)CCCCO 2230a_200000708111_100000210776 [0,0,0,1,0,0|3,0,0]=4 3631 B11R1.40 C#CC(=O)CC1CCCCC1 1458a_100000211873_100000211423 [0,0,0,1,0,0|2,0,0]=3 3632 B11R1.40 C#CC(=O)CC1CCCCO1 1458a_100000211873_100000211543 [0,0,0,1,0,0|3,0,0]=4 3633 B11R1.40 C#CC(=O)CC1CCCOC1 1458a_100000211873_100000741521 [0,0,0,1,0,0|3,0,0]=4 3634 B11R1.40 C#CC(=O)CC1CCOCC1 1458a_100000211873_100000754603 [0,0,0,1,0,0|3,0,0]=4 3635 B11R1.40 C=CC(=O)CC1CCCCC1 1458a_100000185746_100000211423 [0,0,0,1,0,0|2,0,0]=3 3636 B11R1.40 C=CC(=O)CC1CCCCO1 1458a_100000185746_100000211543 [0,0,0,1,0,0|3,0,0]=4 3637 B11R1.40 C=CC(=O)CC1CCCOC1 1458a_100000185746_100000741521 [0,0,0,1,0,0|3,0,0]=4 3638 B11R1.40 C=CC(=O)CC1CCOCC1 1458a_100000185746_100000754603 [0,0,0,1,0,0|3,0,0]=4 3639 B11R1.40 C=CC(=O)NC1CCCCC1 1626a_100000182618_100000185746 [0,0,0,1,0,0|3,0,0]=4 3640 B11R1.40 C=CC(=O)NC1CCCCC1 240690a_100000182618_200121576911 [0,0,0,1,0,0|3,0,0]=4 3641 B11R1.40 CCC(=O)CC1CCCCC1 1458a_100000210414_100000211423 [0,0,0,1,0,0|2,0,0]=3 3642 B11R1.40 CCC(=O)CC1CCCCC1 1458a_100000211666_100000210202 [0,0,0,1,0,0|2,0,0]=3 3643 B11R1.40 CCC(=O)CC1CCCCO1 1458a_100000210414_100000211543 [0,0,0,1,0,0|3,0,0]=4 3644 B11R1.40 CCC(=O)CC1CCCCO1 1458a_100000238585_100000210202 [0,0,0,1,0,0|3,0,0]=4 3645 B11R1.40 CCC(=O)CC1CCCOC1 1458a_100000210414_100000741521 [0,0,0,1,0,0|3,0,0]=4 3646 B11R1.40 CCC(=O)CC1CCCOC1 1458a_100000741523_100000210202 [0,0,0,1,0,0|3,0,0]=4 3647 B11R1.40 CCC(=O)CC1CCOCC1 1458a_100000210414_100000754603 [0,0,0,1,0,0|3,0,0]=4 3648 B11R1.40 CCC(=O)CC1CCOCC1 1458a_100000757261_100000210202 [0,0,0,1,0,0|3,0,0]=4 3649 B11R1.40 CCC(=O)CN1CCCCC1 1458a_100000740322_100000210202 [0,0,0,1,0,0|3,0,0]=4 3650 B11R1.40 CCC(=O)NC1CCCCC1 11a_100000182618_100000210414 [0,0,0,1,0,0|3,0,0]=4 3651 B11R1.40 CCC(=O)NC1CCCCC1 1626a_100000182618_100000210414 [0,0,0,1,0,0|3,0,0]=4 3652 B11R1.40 CCC(=O)NC1CCCCC1 240690a_100000182618_100000210414 [0,0,0,1,0,0|3,0,0]=4 3653 B11R1.40 CCC(=O)NC1CCCCC1 527a_100000182618_100000210414 [0,0,0,1,0,0|3,0,0]=4 3654 B11R1.40 CNC(=O)C=C1CCCCC1 11a_106832991635_100000743792 [0,0,0,1,0,0|1,0,2]=4 3655 B11R1.40 CNC(=O)C=C1CCCCC1 1626a_100102657272_100000743792 [0,0,0,1,0,0|1,0,2]=4 3656 B11R1.40 CNC(=O)C=C1CCCCC1 240690a_100102657272_100000743792 [0,0,0,1,0,0|1,0,2]=4 3657 B11R1.40 CNC(=O)CC1=CCCCC1 11a_106832991635_100000039269 [0,0,0,1,0,0|1,0,2]=4 3658 B11R1.40 CNC(=O)CC1=CCCCC1 1626a_100102657272_100000039269 [0,0,0,1,0,0|1,0,2]=4 3659 B11R1.40 CNC(=O)CC1=CCCCC1 240690a_100102657272_100000039269 [0,0,0,1,0,0|1,0,2]=4 3660 B11R1.40 CNC(=O)CC1=CCCCC1 527a_100102657272_100000039269 [0,0,0,1,0,0|1,0,2]=4 3661 B11R1.40 CNC(=O)CC1CCCCC1 11a_106832991635_100000211666 [0,0,0,1,0,0|1,0,0]=2 3662 B11R1.40 CNC(=O)CC1CCCCC1 1626a_100102657272_100000211666 [0,0,0,1,0,0|1,0,0]=2 3663 B11R1.40 CNC(=O)CC1CCCCC1 240690a_100102657272_100000211666 [0,0,0,1,0,0|1,0,0]=2 3664 B11R1.40 CNC(=O)CC1CCCCC1 527a_100102657272_100000211666 [0,0,0,1,0,0|1,0,0]=2 3665 B11R1.40 CNC(=O)CC1CCCCO1 11a_106832991635_100000238585 [0,0,0,1,0,0|2,0,0]=3 3666 B11R1.40 CNC(=O)CC1CCCCO1 1626a_100102657272_100000238585 [0,0,0,1,0,0|2,0,0]=3 3667 B11R1.40 CNC(=O)CC1CCCCO1 240690a_100102657272_100000238585 [0,0,0,1,0,0|2,0,0]=3 3668 B11R1.40 CNC(=O)CC1CCCCO1 527a_100102657272_100000238585 [0,0,0,1,0,0|2,0,0]=3 3669 B11R1.40 CNC(=O)CC1CCCOC1 11a_106832991635_100000741523 [0,0,0,1,0,0|2,0,0]=3 3670 B11R1.40 CNC(=O)CC1CCCOC1 1626a_100102657272_100000741523 [0,0,0,1,0,0|2,0,0]=3 3671 B11R1.40 CNC(=O)CC1CCCOC1 240690a_100102657272_100000741523 [0,0,0,1,0,0|2,0,0]=3 3672 B11R1.40 CNC(=O)CC1CCCOC1 527a_100102657272_100000741523 [0,0,0,1,0,0|2,0,0]=3 3673 B11R1.40 CNC(=O)CC1CCOCC1 11a_106832991635_100000757261 [0,0,0,1,0,0|2,0,0]=3 3674 B11R1.40 CNC(=O)CC1CCOCC1 1626a_100102657272_100000757261 [0,0,0,1,0,0|2,0,0]=3 3675 B11R1.40 CNC(=O)CC1CCOCC1 240690a_100102657272_100000757261 [0,0,0,1,0,0|2,0,0]=3 3676 B11R1.40 CNC(=O)CC1CCOCC1 527a_100102657272_100000757261 [0,0,0,1,0,0|2,0,0]=3 3677 B11R1.40 CNC(=O)CN1CCCCC1 11a_106832991635_100000740322 [0,0,0,1,0,0|2,0,0]=3 3678 B11R1.40 CNC(=O)CN1CCCCC1 240690a_100102657272_100000740322 [0,0,0,1,0,0|2,0,0]=3 3679 B11R1.40 CNC(=O)CN1CCCCC1 527a_100102657272_100000740322 [0,0,0,1,0,0|2,0,0]=3 3680 B11R1.40 CNC(=O)CN1CCCOC1 2230a_100000131196_100000183359 [0,0,0,1,0,0|3,0,0]=4 3681 B11R1.40 CNC(=O)CN1CCCOC1 269982a_100000131196_100000183359 [0,0,0,1,0,0|3,0,0]=4 3682 B11R1.40 CNC(=O)CN1CCCOC1 34a_100000131196_100000183359 [0,0,0,1,0,0|3,0,0]=4 3683 B11R1.40 CNC(=O)CN1CCOCC1 11a_106832991635_100000740321 [0,0,0,1,0,0|3,0,0]=4 3684 B11R1.40 CNC(=O)CN1CCOCC1 2230a_100015191051_100000183359 [0,0,0,1,0,0|3,0,0]=4 3685 B11R1.40 CNC(=O)CN1CCOCC1 240690a_100102657272_100000740321 [0,0,0,1,0,0|3,0,0]=4 3686 B11R1.40 CNC(=O)CN1CCOCC1 269982a_100015191051_100000183359 [0,0,0,1,0,0|3,0,0]=4 3687 B11R1.40 CNC(=O)CN1CCOCC1 34a_100015191051_100000183359 [0,0,0,1,0,0|3,0,0]=4 3688 B11R1.40 CNC(=O)CN1CCOCC1 527a_100102657272_100000740321 [0,0,0,1,0,0|3,0,0]=4 3689 B11R1.40 CNC(=O)CN1CCSCC1 2230a_100000737611_100000183359 [0,0,0,1,0,0|3,0,0]=4 3690 B11R1.40 CNC(=O)CN1CCSCC1 269982a_100000737611_100000183359 [0,0,0,1,0,0|3,0,0]=4 3691 B11R1.40 CNC(=O)NC1CCCCC1 2708a_100000182618_106832991635 [0,0,0,1,0,0|2,0,0]=3 3692 B11R1.40 CNC(=O)NC1CCCCC1 2708a_100102657272_100000182618 [0,0,0,1,0,0|2,0,0]=3 3693 B11R1.40 CNC(=O)NC1CCCCC1 273464a_100000182618_100102657272 [0,0,0,1,0,0|2,0,0]=3 3694 B11R1.40 CNC(=O)NC1CCCCC1 273464a_100102657272_100000182618 [0,0,0,1,0,0|2,0,0]=3 3695 B11R1.40 CNC(=O)NC1CCCOC1 2708a_100000719290_106832991635 [0,0,0,1,0,0|3,0,0]=4 3696 B11R1.40 CNC(=O)NC1CCCOC1 2708a_100102657272_100000719290 [0,0,0,1,0,0|3,0,0]=4 3697 B11R1.40 CNC(=O)NC1CCCOC1 273464a_100000719290_100102657272 [0,0,0,1,0,0|3,0,0]=4 3698 B11R1.40 CNC(=O)NC1CCCOC1 273464a_100102657272_100000719290 [0,0,0,1,0,0|3,0,0]=4 3699 B11R1.40 CNC(=O)NC1CCCOC1 512a_100000719290_100102657272 [0,0,0,1,0,0|3,0,0]=4 3700 B11R1.40 CNC(=O)NC1CCCOC1 512a_106832991638_100000719290 [0,0,0,1,0,0|3,0,0]=4 3701 B11R1.40 CNC(=O)NC1CCOCC1 2708a_100000741149_106832991635 [0,0,0,1,0,0|3,0,0]=4 3702 B11R1.40 CNC(=O)NC1CCOCC1 2708a_100102657272_100000741149 [0,0,0,1,0,0|3,0,0]=4 3703 B11R1.40 CNC(=O)NC1CCOCC1 273464a_100000741149_100102657272 [0,0,0,1,0,0|3,0,0]=4 3704 B11R1.40 CNC(=O)NC1CCOCC1 273464a_100102657272_100000741149 [0,0,0,1,0,0|3,0,0]=4 3705 B11R1.40 CNC(=O)NC1CCOCC1 512a_100000741149_100102657272 [0,0,0,1,0,0|3,0,0]=4 3706 B11R1.40 CNC(=O)NC1CCOCC1 512a_106832991638_100000741149 [0,0,0,1,0,0|3,0,0]=4 3707 B11R1.40 CNC(=O)NC1CCSCC1 2708a_100000748639_106832991635 [0,0,0,1,0,0|3,0,0]=4 3708 B11R1.40 CNC(=O)NC1CCSCC1 2708a_100102657272_100000748639 [0,0,0,1,0,0|3,0,0]=4 3709 B11R1.40 CNC(=O)NC1CCSCC1 273464a_100000748639_100102657272 [0,0,0,1,0,0|3,0,0]=4 3710 B11R1.40 CNC(=O)NC1CCSCC1 273464a_100102657272_100000748639 [0,0,0,1,0,0|3,0,0]=4 3711 B11R1.40 CNC(=O)NC1CCSCC1 512a_100000748639_100102657272 [0,0,0,1,0,0|3,0,0]=4 3712 B11R1.40 CNC(=O)NC1CCSCC1 512a_106832991638_100000748639 [0,0,0,1,0,0|3,0,0]=4 3713 B11R1.40 CNC(C)CC1CCCCC1 270004a_106832991635_100011215996 [0,0,0,1,0,0|2,0,1]=4 3714 B11R1.40 O=C(CF)CC1CCCCC1 1458a_100000211666_100015361967 [0,0,0,1,0,0|2,0,0]=3 3715 B11R1.40 O=C(CF)CC1CCCCO1 1458a_100000238585_100015361967 [0,0,0,1,0,0|3,0,0]=4 3716 B11R1.40 O=C(CF)CC1CCCOC1 1458a_100000741523_100015361967 [0,0,0,1,0,0|3,0,0]=4 3717 B11R1.40 O=C(CF)CC1CCOCC1 1458a_100000757261_100015361967 [0,0,0,1,0,0|3,0,0]=4 3718 B11R1.40 O=C(CF)CN1CCCCC1 1458a_100000740322_100015361967 [0,0,0,1,0,0|3,0,0]=4 3719 B11R1.40 O=C(CO)CC1CCCCC1 1458a_100000210174_100000211423 [0,0,0,1,0,0|1,0,0]=2 3720 B11R1.40 O=C(CO)CC1CCCCO1 1458a_100000210174_100000211543 [0,0,0,1,0,0|2,0,0]=3 3721 B11R1.40 O=C(CO)CC1CCCOC1 1458a_100000210174_100000741521 [0,0,0,1,0,0|2,0,0]=3 3722 B11R1.40 O=C(CO)CC1CCOCC1 1458a_100000210174_100000754603 [0,0,0,1,0,0|2,0,0]=3 3723 B11R1.40 O=C(CO)NC1CCCCC1 240690a_100000182618_100000210174 [0,0,0,1,0,0|2,0,0]=3 3724 B11R1.40 O=C(CO)NC1CCCCC1 527a_100000182618_100000210174 [0,0,0,1,0,0|2,0,0]=3 3725 B11R1.40 O=C(CO)NC1CCCOC1 240690a_100000719290_100000210174 [0,0,0,1,0,0|3,0,0]=4 3726 B11R1.40 O=C(CO)NC1CCCOC1 527a_100000719290_100000210174 [0,0,0,1,0,0|3,0,0]=4 3727 B11R1.40 O=C(CO)NC1CCOCC1 240690a_100000741149_100000210174 [0,0,0,1,0,0|3,0,0]=4 3728 B11R1.40 O=C(CO)NC1CCOCC1 527a_100000741149_100000210174 [0,0,0,1,0,0|3,0,0]=4 3729 B11R1.40 O=C(CO)NC1CCSCC1 240690a_100000748639_100000210174 [0,0,0,1,0,0|3,0,0]=4 3730 B11R1.40 O=C(CO)NC1CCSCC1 527a_100000748639_100000210174 [0,0,0,1,0,0|3,0,0]=4 3731 B11R1.59 C=CC(=O)N1CCCC1CC 1626a_100000754278_100000185746 [0,0,0,1,0,0|3,0,0]=4 3732 B11R1.59 C=CC(=O)N1CCCC1CC 240690a_100000754278_200121576911 [0,0,0,1,0,0|3,0,0]=4 3733 B11R1.59 CCC(=O)C1CCCN1CC 1458a_106256033941_100000210202 [0,0,0,1,0,0|3,0,0]=4 3734 B11R1.59 CCC(=O)N1CCCC1CC 11a_100000754278_100000210414 [0,0,0,1,0,0|3,0,0]=4 3735 B11R1.59 CCC(=O)N1CCCC1CC 1626a_100000754278_100000210414 [0,0,0,1,0,0|3,0,0]=4 3736 B11R1.59 CCC(=O)N1CCCC1CC 240690a_100000754278_100000210414 [0,0,0,1,0,0|3,0,0]=4 3737 B11R1.59 CCC(=O)N1CCCC1CC 527a_100000754278_100000210414 [0,0,0,1,0,0|3,0,0]=4 3738 B11R1.59 CCC1CCCN1C(=O)CO 240690a_100000754278_100000210174 [0,0,0,1,0,0|2,0,0]=3 3739 B11R1.59 CCC1CCCN1C(=O)CO 527a_100000754278_100000210174 [0,0,0,1,0,0|2,0,0]=3 3740 B11R1.59 CCC1CCCN1C(=O)NC 2708a_100102657272_100000754278 [0,0,0,1,0,0|2,0,0]=3 3741 B11R1.59 CCC1CCCN1C(=O)NC 273464a_100102657272_100000754278 [0,0,0,1,0,0|2,0,0]=3 3742 B11R1.59 CCN1CCCC1C(=O)CF 1458a_106256033941_100015361967 [0,0,0,1,0,0|3,0,0]=4 3743 B11R1.59 CCN1CCCC1C(=O)NC 240690a_100102657272_106256033941 [0,0,0,1,0,0|2,0,0]=3 3744 B11R1.59 CCN1CCCC1C(=O)NC 527a_100102657272_106256033941 [0,0,0,1,0,0|2,0,0]=3 3745 B11R1.59 CCN1CCC[C@H]1C(=O)NC 2230a_100015185040_100000210202 [0,0,0,1,0,0|2,0,0]=3 3746 B11R1.59 CCN1CCC[C@H]1C(=O)NC 269982a_100015185040_100000204670 [0,0,0,1,0,0|2,0,0]=3 3747 B11R1.59 CCN1CCC[C@H]1C(=O)NC 34a_100015185040_100000210202 [0,0,0,1,0,0|2,0,0]=3 3748 B11R1.59 CCN1CCC[C@H]1C(=O)OC 2230a_100000752040_100000210202 [0,0,0,1,0,0|3,0,0]=4 3749 B11R1.59 CCN1CCC[C@H]1C(=O)OC 269982a_100000752040_100000204670 [0,0,0,1,0,0|3,0,0]=4 3750 B11R1.59 CNC(=O)N1CCC[C@@H]1CO 2708a_100102657272_100000745186 [0,0,0,1,0,0|3,0,0]=4 3751 B11R1.59 CNC(=O)N1CCC[C@@H]1CO 273464a_100102657272_100000745186 [0,0,0,1,0,0|3,0,0]=4 3752 B11R1.59 CNC(=O)[C@@H]1CCCN1CF 269982a_100015185040_100015361967 [0,0,0,1,0,0|3,0,0]=4 3753 B11R1.59 CNC(=O)[C@@H]1CCCN1CF 34a_100015185040_100015361967 [0,0,0,1,0,0|3,0,0]=4 3754 B11R1.59 COC(=O)C1CCCC1OC 34a_200000081814_200000210301 [0,0,0,1,0,0|3,0,0]=4 3755 B11R1.59 COC(=O)C1CCCC1OC 7a_200000081814_200000210301 [0,0,0,1,0,0|3,0,0]=4 3756 B11R1.59 COC(=O)C1CCCC1O[13CH3] 34a_200000081814_200025704644 [0,0,0,1,0,0|3,0,0]=4 3757 B11R1.59 COC(=O)C1CCCC1O[13CH3] 7a_200000081814_200025704644 [0,0,0,1,0,0|3,0,0]=4 3758 B11R1.59 O=C(CO)N1CCC[C@@H]1CO 240690a_100000745186_100000210174 [0,0,0,1,0,0|3,0,0]=4 3759 B11R1.59 O=C(CO)N1CCC[C@@H]1CO 527a_100000745186_100000210174 [0,0,0,1,0,0|3,0,0]=4 3760 B11R1.115 CCCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000210303 [0,0,0,1,0,0|3,0,0]=4 3761 B11R1.115 CCCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000210303 [0,0,0,1,0,0|3,0,0]=4 3762 B11R1.115 CNC(=O)N1CCC1COC 2708a_100102657272_100015195929 [0,0,0,1,0,0|3,0,0]=4 3763 B11R1.115 CNC(=O)N1CCC1COC 273464a_100102657272_100015195929 [0,0,0,1,0,0|3,0,0]=4 3764 B11R1.115 COCC1CCN1C(=O)CO 240690a_100015195929_100000210174 [0,0,0,1,0,0|3,0,0]=4 3765 B11R1.115 COCC1CCN1C(=O)CO 527a_100015195929_100000210174 [0,0,0,1,0,0|3,0,0]=4 3766 B11R1.190 CCCCCOC1CCC1=O 34a_100000210253_100009892977 [0,0,0,1,0,0|3,0,0]=4 3767 B11R1.190 CCCCCOC1CCC1=O 7a_100000210253_100009892977 [0,0,0,1,0,0|3,0,0]=4 3768 B11R1.190 CCCCCSC1CCC1=O 62a_100000210326_100009892977 [0,0,0,1,0,0|3,0,0]=4 3769 B11R1.190 CCCCCSC1CCC1=O 62a_100009892977_100000210326 [0,0,0,1,0,0|3,0,0]=4 3770 B11R1.190 CCCSCCC1CCC1=O 62a_100000210303_200016118888 [0,0,0,1,0,0|3,0,0]=4 3771 B11R1.190 CCCSCCC1CCC1=O 62a_200016118888_100000210303 [0,0,0,1,0,0|3,0,0]=4 3772 B11R1.218 CCCCN1CC1C(=O)OC 2230a_200009830135_100000210211 [0,0,0,1,0,0|3,0,0]=4 3773 B11R1.222 C=CC(=O)N1CCCCC1C 1626a_100000211376_100000185746 [0,0,0,1,0,0|3,0,0]=4 3774 B11R1.222 C=CC(=O)N1CCCCC1C 240690a_100000211376_200121576911 [0,0,0,1,0,0|3,0,0]=4 3775 B11R1.222 CC1CCCCC1C(=O)CF 1458a_100011215568_100015361967 [0,0,0,1,0,0|2,0,0]=3 3776 B11R1.222 CC1CCCCN1C(=O)CO 240690a_100000211376_100000210174 [0,0,0,1,0,0|2,0,0]=3 3777 B11R1.222 CC1CCCCN1C(=O)CO 527a_100000211376_100000210174 [0,0,0,1,0,0|2,0,0]=3 3778 B11R1.222 CCC(=O)C1CCCCC1C 1458a_100011215568_100000210202 [0,0,0,1,0,0|2,0,0]=3 3779 B11R1.222 CCC(=O)C1CCCCC1O 1458a_100011803323_100000210202 [0,0,0,1,0,0|3,0,0]=4 3780 B11R1.222 CCC(=O)N1CCCCC1C 11a_100000211376_100000210414 [0,0,0,1,0,0|3,0,0]=4 3781 B11R1.222 CCC(=O)N1CCCCC1C 1626a_100000211376_100000210414 [0,0,0,1,0,0|3,0,0]=4 3782 B11R1.222 CCC(=O)N1CCCCC1C 240690a_100000211376_100000210414 [0,0,0,1,0,0|3,0,0]=4 3783 B11R1.222 CCC(=O)N1CCCCC1C 527a_100000211376_100000210414 [0,0,0,1,0,0|3,0,0]=4 3784 B11R1.222 CCC(=O)[C@H]1CCCCN1C 1458a_100000767060_100000210202 [0,0,0,1,0,0|3,0,0]=4 3785 B11R1.222 CN1CCCC[C@@H]1C(=O)CF 1458a_100000767060_100015361967 [0,0,0,1,0,0|3,0,0]=4 3786 B11R1.222 CNC(=O)C1CCCCC1C 11a_106832991635_100011215568 [0,0,0,1,0,0|1,0,0]=2 3787 B11R1.222 CNC(=O)C1CCCCC1C 1626a_100102657272_100011215568 [0,0,0,1,0,0|1,0,0]=2 3788 B11R1.222 CNC(=O)C1CCCCC1C 240690a_100102657272_100011215568 [0,0,0,1,0,0|1,0,0]=2 3789 B11R1.222 CNC(=O)C1CCCCC1C 527a_100102657272_100011215568 [0,0,0,1,0,0|1,0,0]=2 3790 B11R1.222 CNC(=O)C1CCCCN1C 2230a_100011209383_200000210301 [0,0,0,1,0,0|2,0,0]=3 3791 B11R1.222 CNC(=O)C1CCCCN1C 269982a_100011209383_200000210301 [0,0,0,1,0,0|2,0,0]=3 3792 B11R1.222 CNC(=O)C1CCCCN1C 34a_100011209383_200000210301 [0,0,0,1,0,0|2,0,0]=3 3793 B11R1.222 CNC(=O)C1CCCCN1[13CH3] 2230a_100011209383_200025704644 [0,0,0,1,0,0|2,0,0]=3 3794 B11R1.222 CNC(=O)C1CCCCN1[13CH3] 269982a_100011209383_200025704644 [0,0,0,1,0,0|2,0,0]=3 3795 B11R1.222 CNC(=O)C1CCCCN1[13CH3] 34a_100011209383_200025704644 [0,0,0,1,0,0|2,0,0]=3 3796 B11R1.222 CNC(=O)N1CCCCC1C 2708a_100102657272_100000211376 [0,0,0,1,0,0|2,0,0]=3 3797 B11R1.222 CNC(=O)N1CCCCC1C 273464a_100102657272_100000211376 [0,0,0,1,0,0|2,0,0]=3 3798 B11R1.222 CNC(=O)N1CCOC[C@@H]1C 2708a_100102657272_100009815349 [0,0,0,1,0,0|3,0,0]=4 3799 B11R1.222 CNC(=O)N1CCOC[C@@H]1C 273464a_100102657272_100009815349 [0,0,0,1,0,0|3,0,0]=4 3800 B11R1.222 CNC(=O)[C@H]1CCCCN1C 11a_106832991635_100000767060 [0,0,0,1,0,0|2,0,0]=3 3801 B11R1.222 CNC(=O)[C@H]1CCCCN1C 1626a_100102657272_100000767060 [0,0,0,1,0,0|2,0,0]=3 3802 B11R1.222 CNC(=O)[C@H]1CCCCN1C 240690a_100102657272_100000767060 [0,0,0,1,0,0|2,0,0]=3 3803 B11R1.222 CNC(=O)[C@H]1CCCCN1C 527a_100102657272_100000767060 [0,0,0,1,0,0|2,0,0]=3 3804 B11R1.222 COC(=O)C1CCCCN1C 2230a_100000734855_200000210301 [0,0,0,1,0,0|3,0,0]=4 3805 B11R1.222 COC(=O)C1CCCCN1C 269982a_100000734855_200000210301 [0,0,0,1,0,0|3,0,0]=4 3806 B11R1.222 COC(=O)C1CCCCN1C 34a_100000734855_200000210301 [0,0,0,1,0,0|3,0,0]=4 3807 B11R1.222 COC(=O)C1CCCCN1[13CH3] 2230a_100000734855_200025704644 [0,0,0,1,0,0|3,0,0]=4 3808 B11R1.222 COC(=O)C1CCCCN1[13CH3] 269982a_100000734855_200025704644 [0,0,0,1,0,0|3,0,0]=4 3809 B11R1.222 COC(=O)C1CCCCN1[13CH3] 34a_100000734855_200025704644 [0,0,0,1,0,0|3,0,0]=4 3810 B11R1.222 C[C@H]1COCCN1C(=O)CO 240690a_100009815349_100000210174 [0,0,0,1,0,0|3,0,0]=4 3811 B11R1.222 C[C@H]1COCCN1C(=O)CO 527a_100009815349_100000210174 [0,0,0,1,0,0|3,0,0]=4 3812 B11R1.222 O=C(CF)C1CCCCC1O 1458a_100011803323_100015361967 [0,0,0,1,0,0|3,0,0]=4 3813 B11R1.222 O=C(CO)C1CCCCC1=O 1458a_100000210174_100000204591 [0,0,0,1,0,0|2,0,1]=4 3814 B11R1.223 CNC(=O)CCN1CCC1C 269982a_100000755817_100000737683 [0,0,0,1,0,0|2,0,0]=3 3815 B11R1.223 CNC(=O)CCN1CCC1C 34a_100000755817_100012179268 [0,0,0,1,0,0|2,0,0]=3 3816 B11R1.223 COC(=O)CCN1CCC1C 269982a_100000755817_100000204255 [0,0,0,1,0,0|3,0,0]=4 3817 B11R1.223 COC(=O)CCN1CCC1C 34a_100000755817_100000742370 [0,0,0,1,0,0|3,0,0]=4 3818 B11R1.223 O=C(CO)CCC1CCC1=O 1458a_100000210174_200016118888 [0,0,0,1,0,0|2,0,1]=4 3819 B11R1.228 CCC(=O)CN1CCC[C@@H]1C 269982a_100020605311_100000747405 [0,0,0,1,0,0|3,0,0]=4 3820 B11R1.228 CCC(=O)CN1CCC[C@H]1C 269982a_100015189458_100000747405 [0,0,0,1,0,0|3,0,0]=4 3821 B11R1.228 CNC(=O)CN1CCC[C@@H]1C 2230a_100020605311_100000183359 [0,0,0,1,0,0|2,0,0]=3 3822 B11R1.228 CNC(=O)CN1CCC[C@@H]1C 269982a_100020605311_100000183359 [0,0,0,1,0,0|2,0,0]=3 3823 B11R1.228 CNC(=O)CN1CCC[C@H]1C 2230a_100015189458_100000183359 [0,0,0,1,0,0|2,0,0]=3 3824 B11R1.228 CNC(=O)CN1CCC[C@H]1C 269982a_100015189458_100000183359 [0,0,0,1,0,0|2,0,0]=3 3825 B11R1.228 CNC(=O)CN1CCC[C@H]1C 34a_100015189458_100000183359 [0,0,0,1,0,0|2,0,0]=3 3826 B11R1.228 CNC(=O)CN1CCSC1C 2230a_200011216479_100000183359 [0,0,0,1,0,0|3,0,0]=4 3827 B11R1.228 CNC(=O)CN1CCSC1C 269982a_200011216479_100000183359 [0,0,0,1,0,0|3,0,0]=4 3828 B11R1.228 CNC(=O)CN1CCSC1C 34a_200011216479_100000183359 [0,0,0,1,0,0|3,0,0]=4 3829 B11R1.228 CNC(=O)N[C@H]1CCC[C@@H]1O 2708a_100102657272_100000748460 [0,0,0,1,0,0|3,0,0]=4 3830 B11R1.228 CNC(=O)N[C@H]1CCC[C@@H]1O 273464a_100000748460_100102657272 [0,0,0,1,0,0|3,0,0]=4 3831 B11R1.228 CNC(=O)N[C@H]1CCC[C@@H]1O 273464a_100102657272_100000748460 [0,0,0,1,0,0|3,0,0]=4 3832 B11R1.228 COC(=O)CN1CCC[C@@H]1C 2230a_100020605311_100000747449 [0,0,0,1,0,0|3,0,0]=4 3833 B11R1.228 COC(=O)CN1CCC[C@@H]1C 269982a_100020605311_100000747449 [0,0,0,1,0,0|3,0,0]=4 3834 B11R1.228 COC(=O)CN1CCC[C@H]1C 2230a_100015189458_100000747449 [0,0,0,1,0,0|3,0,0]=4 3835 B11R1.228 COC(=O)CN1CCC[C@H]1C 269982a_100015189458_100000747449 [0,0,0,1,0,0|3,0,0]=4 3836 B11R1.228 COC(=O)CN1CCC[C@H]1C 34a_100015189458_100000747449 [0,0,0,1,0,0|3,0,0]=4 3837 B11R1.228 COC(=O)C[C@H]1CCCN1C 2230a_100025726698_200000210301 [0,0,0,1,0,0|3,0,0]=4 3838 B11R1.228 COC(=O)C[C@H]1CCCN1C 269982a_100025726698_200000210301 [0,0,0,1,0,0|3,0,0]=4 3839 B11R1.228 COC(=O)C[C@H]1CCCN1C 34a_100025726698_200000210301 [0,0,0,1,0,0|3,0,0]=4 3840 B11R1.228 COC(=O)C[C@H]1CCCN1[13CH3] 2230a_100025726698_200025704644 [0,0,0,1,0,0|3,0,0]=4 3841 B11R1.228 COC(=O)C[C@H]1CCCN1[13CH3] 269982a_100025726698_200025704644 [0,0,0,1,0,0|3,0,0]=4 3842 B11R1.228 COC(=O)C[C@H]1CCCN1[13CH3] 34a_100025726698_200025704644 [0,0,0,1,0,0|3,0,0]=4 3843 B11R1.228 O=C(CO)N[C@H]1CCC[C@@H]1O 240690a_100000748460_100000210174 [0,0,0,1,0,0|3,0,0]=4 3844 B11R1.235 CCC(=O)COCC1CC1C 7a_100000744939_100000747405 [0,0,0,1,0,0|3,0,0]=4 3845 B11R1.235 CNC(=O)CCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000737683 [0,0,0,1,0,0|3,0,0]=4 3846 B11R1.235 CNC(=O)CCN[C@@H]1C[C@H]1F 2230a_100025746932_100000737683 [0,0,0,1,0,0|3,0,0]=4 3847 B11R1.235 CNC(=O)CCN[C@@H]1C[C@H]1F 34a_100025746932_100012179268 [0,0,0,1,0,0|3,0,0]=4 3848 B11R1.235 CNC(=O)COCC1CC1C 34a_100000744939_100000183359 [0,0,0,1,0,0|2,0,0]=3 3849 B11R1.235 CNC(=O)COCC1CC1C 7a_100000744939_100000183359 [0,0,0,1,0,0|2,0,0]=3 3850 B11R1.235 COC(=O)COCC1CC1C 34a_100000744939_100000747449 [0,0,0,1,0,0|3,0,0]=4 3851 B11R1.235 COC(=O)COCC1CC1C 7a_100000744939_100000747449 [0,0,0,1,0,0|3,0,0]=4 3852 B11R1.236 CCC(=O)COCC1CCC1 34a_100000725409_100000763275 [0,0,0,1,0,0|3,0,0]=4 3853 B11R1.236 CCC(=O)CSCC1CCC1 62a_100000747405_100000763275 [0,0,0,1,0,0|3,0,0]=4 3854 B11R1.236 CCC(=O)CSCC1CCC1 62a_100000763275_100000747405 [0,0,0,1,0,0|3,0,0]=4 3855 B11R1.236 CNC(=O)CCCN1CCC1 269982a_100000754969_100000741757 [0,0,0,1,0,0|2,0,0]=3 3856 B11R1.236 CNC(=O)CCNC1CCC1 2230a_100000749019_100000737683 [0,0,0,1,0,0|2,0,0]=3 3857 B11R1.236 CNC(=O)CCNC1CCC1 270004a_100000738227_100000241760 [0,0,0,1,0,0|2,0,0]=3 3858 B11R1.236 CNC(=O)CCNC1CCC1 34a_100000738227_100000749161 [0,0,0,1,0,0|2,0,0]=3 3859 B11R1.236 CNC(=O)CCNC1CCC1 34a_100000749019_100012179268 [0,0,0,1,0,0|2,0,0]=3 3860 B11R1.236 CNC(=O)CCNC1COC1 2230a_100016991112_100000737683 [0,0,0,1,0,0|3,0,0]=4 3861 B11R1.236 CNC(=O)CCNC1COC1 34a_100000738227_100009818527 [0,0,0,1,0,0|3,0,0]=4 3862 B11R1.236 CNC(=O)CCOC1CCC1 34a_100000748187_100012179268 [0,0,0,1,0,0|2,0,0]=3 3863 B11R1.236 CNC(=O)CCOC1CCC1 34a_100000754576_100000749161 [0,0,0,1,0,0|2,0,0]=3 3864 B11R1.236 CNC(=O)CCOC1COC1 34a_100000754576_100009818527 [0,0,0,1,0,0|3,0,0]=4 3865 B11R1.236 CNC(=O)CCOC1CSC1 7a_100000072292_100000737683 [0,0,0,1,0,0|3,0,0]=4 3866 B11R1.236 CNC(=O)CCSC1CCC1 62a_100000737683_100000749161 [0,0,0,1,0,0|2,0,0]=3 3867 B11R1.236 CNC(=O)CCSC1COC1 62a_100000737683_100009818527 [0,0,0,1,0,0|3,0,0]=4 3868 B11R1.236 CNC(=O)CNCC1CCC1 2230a_100000693194_100000763275 [0,0,0,1,0,0|2,0,0]=3 3869 B11R1.236 CNC(=O)CNCC1CCC1 2230a_100000738700_100000183359 [0,0,0,1,0,0|2,0,0]=3 3870 B11R1.236 CNC(=O)CNCC1CCC1 269862a_100000693194_100000753134 [0,0,0,1,0,0|2,0,0]=3 3871 B11R1.236 CNC(=O)CNCC1CCC1 34a_100000738700_100000183359 [0,0,0,1,0,0|2,0,0]=3 3872 B11R1.236 CNC(=O)CNCC1CCO1 2230a_100000693194_100000103362 [0,0,0,1,0,0|3,0,0]=4 3873 B11R1.236 CNC(=O)CNCC1COC1 2230a_100000693194_100010264016 [0,0,0,1,0,0|3,0,0]=4 3874 B11R1.236 CNC(=O)CNCC1COC1 2230a_100015281925_100000183359 [0,0,0,1,0,0|3,0,0]=4 3875 B11R1.236 CNC(=O)CNCC1COC1 34a_100015281925_100000183359 [0,0,0,1,0,0|3,0,0]=4 3876 B11R1.236 CNC(=O)CNC[C@@H]1CCO1 2230a_100020831831_100000183359 [0,0,0,1,0,0|3,0,0]=4 3877 B11R1.236 CNC(=O)CNC[C@@H]1CCO1 34a_100020831831_100000183359 [0,0,0,1,0,0|3,0,0]=4 3878 B11R1.236 CNC(=O)COCC1CCC1 34a_100000750040_100000763275 [0,0,0,1,0,0|2,0,0]=3 3879 B11R1.236 CNC(=O)COCC1CCC1 34a_100000760304_100000183359 [0,0,0,1,0,0|2,0,0]=3 3880 B11R1.236 CNC(=O)COCC1CCO1 34a_100000039022_100000183359 [0,0,0,1,0,0|3,0,0]=4 3881 B11R1.236 CNC(=O)COCC1CCO1 34a_100000750040_100000103362 [0,0,0,1,0,0|3,0,0]=4 3882 B11R1.236 CNC(=O)COCC1CNC1 34a_100016987283_100000183359 [0,0,0,1,0,0|3,0,0]=4 3883 B11R1.236 CNC(=O)COCC1COC1 34a_100000060846_100000183359 [0,0,0,1,0,0|3,0,0]=4 3884 B11R1.236 CNC(=O)COCC1COC1 34a_100000750040_100010264016 [0,0,0,1,0,0|3,0,0]=4 3885 B11R1.236 CNC(=O)CSCC1CCC1 62a_100000183359_100000763275 [0,0,0,1,0,0|2,0,0]=3 3886 B11R1.236 CNC(=O)CSCC1CCC1 62a_100000763275_100000183359 [0,0,0,1,0,0|2,0,0]=3 3887 B11R1.236 CNC(=O)CSCC1CCO1 62a_100000103362_100000183359 [0,0,0,1,0,0|3,0,0]=4 3888 B11R1.236 CNC(=O)CSCC1CCO1 62a_100000183359_100000103362 [0,0,0,1,0,0|3,0,0]=4 3889 B11R1.236 CNC(=O)CSCC1COC1 62a_100000183359_100010264016 [0,0,0,1,0,0|3,0,0]=4 3890 B11R1.236 CNC(=O)CSCC1COC1 62a_100010264016_100000183359 [0,0,0,1,0,0|3,0,0]=4 3891 B11R1.236 CNC(=O)NCCN1CCC1 2708a_100000691440_106832991635 [0,0,0,1,0,0|3,0,0]=4 3892 B11R1.236 CNC(=O)NCCN1CCC1 2708a_100102657272_100000691440 [0,0,0,1,0,0|3,0,0]=4 3893 B11R1.236 CNC(=O)NCCN1CCC1 273464a_100000691440_100102657272 [0,0,0,1,0,0|3,0,0]=4 3894 B11R1.236 CNC(=O)NCCN1CCC1 273464a_100102657272_100000691440 [0,0,0,1,0,0|3,0,0]=4 3895 B11R1.236 CNC(=O)NCCN1CCC1 512a_106832991638_100000691440 [0,0,0,1,0,0|3,0,0]=4 3896 B11R1.236 CNC(=O)NNCC1CCC1 273464a_100102657272_200020586977 [0,0,0,1,0,0|3,0,0]=4 3897 B11R1.236 CNC(=O)NNCC1CCC1 512a_106832991638_200020586977 [0,0,0,1,0,0|3,0,0]=4 3898 B11R1.236 CNC(=O)NNCC1CCC1 512a_200020586977_100102657272 [0,0,0,1,0,0|3,0,0]=4 3899 B11R1.236 CNC(=O)OCCN1CCC1 269982a_100000754969_200011997002 [0,0,0,1,0,0|3,0,0]=4 3900 B11R1.236 COC(=O)CCCN1CCC1 269982a_100000754969_100011218270 [0,0,0,1,0,0|3,0,0]=4 3901 B11R1.236 COC(=O)CCNC1CCC1 2230a_100000749019_100000204255 [0,0,0,1,0,0|3,0,0]=4 3902 B11R1.236 COC(=O)CCNC1CCC1 34a_100000749019_100000742370 [0,0,0,1,0,0|3,0,0]=4 3903 B11R1.236 COC(=O)CCOC1CCC1 34a_100000748187_100000742370 [0,0,0,1,0,0|3,0,0]=4 3904 B11R1.236 COC(=O)CCSC1CCC1 62a_100000204255_100000749161 [0,0,0,1,0,0|3,0,0]=4 3905 B11R1.236 COC(=O)CNCC1CCC1 2230a_100000738700_100000747449 [0,0,0,1,0,0|3,0,0]=4 3906 B11R1.236 COC(=O)CNCC1CCC1 34a_100000738700_100000747449 [0,0,0,1,0,0|3,0,0]=4 3907 B11R1.236 COC(=O)COCC1CCC1 34a_100000760304_100000747449 [0,0,0,1,0,0|3,0,0]=4 3908 B11R1.236 COC(=O)CSCC1CCC1 62a_100000747449_100000763275 [0,0,0,1,0,0|3,0,0]=4 3909 B11R1.236 COC(=O)CSCC1CCC1 62a_100000763275_100000747449 [0,0,0,1,0,0|3,0,0]=4 3910 B11R1.236 NC(=NO)CCOC1CCC1 34a_100000749954_100000749161 [0,0,0,1,0,0|2,0,1]=4 3911 B11R1.236 O=C(CO)NCCN1CCC1 240690a_100000691440_100000210174 [0,0,0,1,0,0|3,0,0]=4 3912 B11R1.236 O=C(CO)NNCC1CCC1 22a_200020586977_100000210174 [0,0,0,1,0,0|3,0,0]=4 3913 B11R1.237 CCC(=O)COCCC1CC1 34a_100000725409_100000694398 [0,0,0,1,0,0|3,0,0]=4 3914 B11R1.237 CCC(=O)COCCC1CC1 7a_100000754188_100000747405 [0,0,0,1,0,0|3,0,0]=4 3915 B11R1.237 CCC(=O)CSCCC1CC1 62a_100000747405_100000764125 [0,0,0,1,0,0|3,0,0]=4 3916 B11R1.237 CCC(=O)CSCCC1CC1 62a_100000764125_100000747405 [0,0,0,1,0,0|3,0,0]=4 3917 B11R1.237 CNC(=O)CCCNC1CC1 34a_100000212008_100000741757 [0,0,0,1,0,0|2,0,0]=3 3918 B11R1.237 CNC(=O)CCCNC1CC1 34a_100000740002_100000211595 [0,0,0,1,0,0|2,0,0]=3 3919 B11R1.237 CNC(=O)CCCSC1CC1 62a_100000741757_100000211595 [0,0,0,1,0,0|2,0,0]=3 3920 B11R1.237 CNC(=O)CCNCC1CC1 2230a_100000735609_100000737683 [0,0,0,1,0,0|2,0,0]=3 3921 B11R1.237 CNC(=O)CCNCC1CC1 2230a_100000738227_100000742324 [0,0,0,1,0,0|2,0,0]=3 3922 B11R1.237 CNC(=O)CCNCC1CC1 269862a_100000738227_100000741477 [0,0,0,1,0,0|2,0,0]=3 3923 B11R1.237 CNC(=O)CCNCC1CC1 34a_100000735609_100012179268 [0,0,0,1,0,0|2,0,0]=3 3924 B11R1.237 CNC(=O)CCNCC1CC1 34a_100000738227_100000742324 [0,0,0,1,0,0|2,0,0]=3 3925 B11R1.237 CNC(=O)CCNCC1CO1 2230a_100000738227_100011216344 [0,0,0,1,0,0|3,0,0]=4 3926 B11R1.237 CNC(=O)CCNCC1CO1 34a_100000738227_102125554688 [0,0,0,1,0,0|3,0,0]=4 3927 B11R1.237 CNC(=O)CCOCC1CC1 34a_100000211283_100012179268 [0,0,0,1,0,0|2,0,0]=3 3928 B11R1.237 CNC(=O)CCOCC1CC1 34a_100000754576_100000742324 [0,0,0,1,0,0|2,0,0]=3 3929 B11R1.237 CNC(=O)CCOCC1CO1 34a_100000754576_102125554688 [0,0,0,1,0,0|3,0,0]=4 3930 B11R1.237 CNC(=O)CCOC[C@@H]1CO1 34a_100000757423_100012179268 [0,0,0,1,0,0|3,0,0]=4 3931 B11R1.237 CNC(=O)CCSCC1CC1 62a_100000737683_100000742324 [0,0,0,1,0,0|2,0,0]=3 3932 B11R1.237 CNC(=O)CCSCC1CC1 62a_100000756562_100000737683 [0,0,0,1,0,0|2,0,0]=3 3933 B11R1.237 CNC(=O)CCSCC1CO1 62a_100000737683_102125554688 [0,0,0,1,0,0|3,0,0]=4 3934 B11R1.237 CNC(=O)CCSCC1CO1 62a_102125554688_100000737683 [0,0,0,1,0,0|3,0,0]=4 3935 B11R1.237 CNC(=O)CCSCC1CS1 62a_100000031435_100000737683 [0,0,0,1,0,0|3,0,0]=4 3936 B11R1.237 CNC(=O)CCSCC1CS1 62a_100000737683_100000031435 [0,0,0,1,0,0|3,0,0]=4 3937 B11R1.237 CNC(=O)CCSC[C@@H]1CO1 62a_100000737683_100000745022 [0,0,0,1,0,0|3,0,0]=4 3938 B11R1.237 CNC(=O)CCSC[C@@H]1CO1 62a_100000745022_100000737683 [0,0,0,1,0,0|3,0,0]=4 3939 B11R1.237 CNC(=O)CNCCC1CC1 2230a_100000693194_100000694398 [0,0,0,1,0,0|2,0,0]=3 3940 B11R1.237 CNC(=O)CNCCC1CC1 34a_100000764129_100000183359 [0,0,0,1,0,0|2,0,0]=3 3941 B11R1.237 CNC(=O)CNCCC1CO1 2230a_100000693194_100000732470 [0,0,0,1,0,0|3,0,0]=4 3942 B11R1.237 CNC(=O)COCCC1CC1 34a_100000750040_100000694398 [0,0,0,1,0,0|2,0,0]=3 3943 B11R1.237 CNC(=O)COCCC1CC1 34a_100000754188_100000183359 [0,0,0,1,0,0|2,0,0]=3 3944 B11R1.237 CNC(=O)COCCC1CC1 7a_100000754188_100000183359 [0,0,0,1,0,0|2,0,0]=3 3945 B11R1.237 CNC(=O)COCCC1CO1 34a_100000750040_100000732470 [0,0,0,1,0,0|3,0,0]=4 3946 B11R1.237 CNC(=O)COCC[C@@H]1CO1 34a_100009820653_100000183359 [0,0,0,1,0,0|3,0,0]=4 3947 B11R1.237 CNC(=O)CSCCC1CC1 62a_100000183359_100000764125 [0,0,0,1,0,0|2,0,0]=3 3948 B11R1.237 CNC(=O)CSCCC1CC1 62a_100000764125_100000183359 [0,0,0,1,0,0|2,0,0]=3 3949 B11R1.237 CNC(=O)CSCCC1CO1 62a_100000183359_100000732470 [0,0,0,1,0,0|3,0,0]=4 3950 B11R1.237 CNC(=O)CSCCC1CO1 62a_100000732470_100000183359 [0,0,0,1,0,0|3,0,0]=4 3951 B11R1.237 CNC(=O)NCCNC1CC1 34a_100015205895_100000211595 [0,0,0,1,0,0|3,0,0]=4 3952 B11R1.237 CNC(=O)OCCNC1CC1 34a_100000212008_200011997002 [0,0,0,1,0,0|3,0,0]=4 3953 B11R1.237 CNC(=O)OCCSC1CC1 62a_200011997002_100000211595 [0,0,0,1,0,0|3,0,0]=4 3954 B11R1.237 COC(=O)CCCNC1CC1 34a_100000212008_100000742333 [0,0,0,1,0,0|3,0,0]=4 3955 B11R1.237 COC(=O)CCCSC1CC1 62a_100011218270_100000211595 [0,0,0,1,0,0|3,0,0]=4 3956 B11R1.237 COC(=O)CCNCC1CC1 2230a_100000735609_100000204255 [0,0,0,1,0,0|3,0,0]=4 3957 B11R1.237 COC(=O)CCNCC1CC1 34a_100000735609_100000742370 [0,0,0,1,0,0|3,0,0]=4 3958 B11R1.237 COC(=O)CCOCC1CC1 34a_100000211283_100000742370 [0,0,0,1,0,0|3,0,0]=4 3959 B11R1.237 COC(=O)CCSCC1CC1 62a_100000204255_100000742324 [0,0,0,1,0,0|3,0,0]=4 3960 B11R1.237 COC(=O)CCSCC1CC1 62a_100000756562_100000204255 [0,0,0,1,0,0|3,0,0]=4 3961 B11R1.237 COC(=O)CNCCC1CC1 34a_100000764129_100000747449 [0,0,0,1,0,0|3,0,0]=4 3962 B11R1.237 COC(=O)COCCC1CC1 34a_100000754188_100000747449 [0,0,0,1,0,0|3,0,0]=4 3963 B11R1.237 COC(=O)COCCC1CC1 7a_100000754188_100000747449 [0,0,0,1,0,0|3,0,0]=4 3964 B11R1.237 COC(=O)CSCCC1CC1 62a_100000747449_100000764125 [0,0,0,1,0,0|3,0,0]=4 3965 B11R1.237 COC(=O)CSCCC1CC1 62a_100000764125_100000747449 [0,0,0,1,0,0|3,0,0]=4 3966 B11R1.237 NC(=NO)CCOCC1CC1 34a_100000749954_100000742324 [0,0,0,1,0,0|2,0,1]=4 3967 B11R1.237 NNC(=O)CCCOC1CC1 34a_100000211488_100000211595 [0,0,0,1,0,0|2,0,0]=3 3968 B11R1.248 CNC1CCCCCCCC1 270004a_106832991635_100000038600 [0,0,0,1,0,0|2,0,1]=4 3969 B11R1.852 C#CC(=O)C1CCCCCC1 1458a_100000211873_100011217769 [0,0,0,1,0,0|2,0,0]=3 3970 B11R1.852 C=CC(=O)C1CCCCCC1 1458a_100000185746_100011217769 [0,0,0,1,0,0|2,0,0]=3 3971 B11R1.852 C=CC(=O)N1CCCCCC1 1626a_100000185865_100000185746 [0,0,0,1,0,0|3,0,0]=4 3972 B11R1.852 C=CC(=O)N1CCCCCC1 240690a_100000185865_200121576911 [0,0,0,1,0,0|3,0,0]=4 3973 B11R1.852 CCC(=O)C1CCCCCC1 1458a_100000210414_100011217769 [0,0,0,1,0,0|2,0,0]=3 3974 B11R1.852 CCC(=O)C1CCCCCC1 1458a_100000749507_100000210202 [0,0,0,1,0,0|2,0,0]=3 3975 B11R1.852 CCC(=O)N1CCCCCC1 11a_100000185865_100000210414 [0,0,0,1,0,0|3,0,0]=4 3976 B11R1.852 CCC(=O)N1CCCCCC1 1626a_100000185865_100000210414 [0,0,0,1,0,0|3,0,0]=4 3977 B11R1.852 CCC(=O)N1CCCCCC1 240690a_100000185865_100000210414 [0,0,0,1,0,0|3,0,0]=4 3978 B11R1.852 CCC(=O)N1CCCCCC1 527a_100000185865_100000210414 [0,0,0,1,0,0|3,0,0]=4 3979 B11R1.852 CNC(=O)C1CCC=CCC1 11a_106832991635_100000048548 [0,0,0,1,0,0|1,0,2]=4 3980 B11R1.852 CNC(=O)C1CCC=CCC1 1626a_100102657272_100000048548 [0,0,0,1,0,0|1,0,2]=4 3981 B11R1.852 CNC(=O)C1CCC=CCC1 240690a_100102657272_100000048548 [0,0,0,1,0,0|1,0,2]=4 3982 B11R1.852 CNC(=O)C1CCC=CCC1 527a_100102657272_100000048548 [0,0,0,1,0,0|1,0,2]=4 3983 B11R1.852 CNC(=O)C1CCCCCC1 11a_106832991635_100000749507 [0,0,0,1,0,0|1,0,0]=2 3984 B11R1.852 CNC(=O)C1CCCCCC1 1626a_100102657272_100000749507 [0,0,0,1,0,0|1,0,0]=2 3985 B11R1.852 CNC(=O)C1CCCCCC1 240690a_100102657272_100000749507 [0,0,0,1,0,0|1,0,0]=2 3986 B11R1.852 CNC(=O)C1CCCCCC1 527a_100102657272_100000749507 [0,0,0,1,0,0|1,0,0]=2 3987 B11R1.852 CNC(=O)N1CCCCCC1 2708a_100102657272_100000185865 [0,0,0,1,0,0|2,0,0]=3 3988 B11R1.852 CNC(=O)N1CCCCCC1 273464a_100102657272_100000185865 [0,0,0,1,0,0|2,0,0]=3 3989 B11R1.852 CNC(=O)N1CCCOCC1 2708a_100102657272_100000685342 [0,0,0,1,0,0|3,0,0]=4 3990 B11R1.852 CNC(=O)N1CCCOCC1 273464a_100102657272_100000685342 [0,0,0,1,0,0|3,0,0]=4 3991 B11R1.852 O=C(CF)C1CCCCCC1 1458a_100000749507_100015361967 [0,0,0,1,0,0|2,0,0]=3 3992 B11R1.852 O=C(CO)C1CCCCCC1 1458a_100000210174_100011217769 [0,0,0,1,0,0|1,0,0]=2 3993 B11R1.852 O=C(CO)N1CCCCCC1 240690a_100000185865_100000210174 [0,0,0,1,0,0|2,0,0]=3 3994 B11R1.852 O=C(CO)N1CCCCCC1 527a_100000185865_100000210174 [0,0,0,1,0,0|2,0,0]=3 3995 B11R1.852 O=C(CO)N1CCCOCC1 240690a_100000685342_100000210174 [0,0,0,1,0,0|3,0,0]=4 3996 B11R1.852 O=C(CO)N1CCCOCC1 527a_100000685342_100000210174 [0,0,0,1,0,0|3,0,0]=4 3997 B8R0.4 C=CCCCCCNC 2230a_106832991635_100000700193 [2,0,0,0,0,0|2,0,0]=4 3998 B8R0.4 C=CCCCCCNC 34a_100102657272_100000700193 [2,0,0,0,0,0|2,0,0]=4 3999 B8R0.4 C=CCCCCCNC 7a_106832991635_100000700193 [2,0,0,0,0,0|2,0,0]=4 4000 B8R0.4 C=CCCCCCOC 34a_100011216702_200000210301 [2,0,0,0,0,0|2,0,0]=4 4001 B8R0.4 C=CCCCCCOC 34a_100138415774_100000700193 [2,0,0,0,0,0|2,0,0]=4 4002 B8R0.4 C=CCCCCCOC 7a_100011216702_200000210301 [2,0,0,0,0,0|2,0,0]=4 4003 B8R0.4 C=CCCCCCO[13CH3] 34a_100011216702_200025704644 [2,0,0,0,0,0|2,0,0]=4 4004 B8R0.4 C=CCCCCCO[13CH3] 7a_100011216702_200025704644 [2,0,0,0,0,0|2,0,0]=4 4005 B8R0.4 C=CCCCCCSC 62a_100000700193_200000210301 [2,0,0,0,0,0|2,0,0]=4 4006 B8R0.4 C=CCCCCCSC 62a_200000210301_100000700193 [2,0,0,0,0,0|2,0,0]=4 4007 B8R0.4 C=CCCCCCS[13CH3] 62a_100000700193_200025704644 [2,0,0,0,0,0|2,0,0]=4 4008 B8R0.4 C=CCCCCCS[13CH3] 62a_200025704644_100000700193 [2,0,0,0,0,0|2,0,0]=4 4009 B8R0.4 C=CCCCCNCC 2230a_100000703577_100000210202 [2,0,0,0,0,0|2,0,0]=4 4010 B8R0.4 C=CCCCCNCC 2230a_100015525214_100011215482 [2,0,0,0,0,0|2,0,0]=4 4011 B8R0.4 C=CCCCCNCC 34a_100000703577_100000210202 [2,0,0,0,0,0|2,0,0]=4 4012 B8R0.4 C=CCCCCOCC 34a_100000766645_100000210202 [2,0,0,0,0,0|2,0,0]=4 4013 B8R0.4 C=CCCCCOCC 34a_100121572206_100011215482 [2,0,0,0,0,0|2,0,0]=4 4014 B8R0.4 C=CCCCCOCC 7a_100000766645_100000210202 [2,0,0,0,0,0|2,0,0]=4 4015 B8R0.4 C=CCCCCSCC 62a_100000210202_100011215482 [2,0,0,0,0,0|2,0,0]=4 4016 B8R0.4 C=CCCCCSCC 62a_100011215482_100000210202 [2,0,0,0,0,0|2,0,0]=4 4017 B8R0.4 C=CCCCNCCC 2230a_100000700776_100000210303 [2,0,0,0,0,0|2,0,0]=4 4018 B8R0.4 C=CCCCNCCC 34a_100000700776_100000210303 [2,0,0,0,0,0|2,0,0]=4 4019 B8R0.4 C=CCCCOCCC 34a_100000210258_100000757094 [2,0,0,0,0,0|2,0,0]=4 4020 B8R0.4 C=CCCCOCCC 34a_100000758997_100000210303 [2,0,0,0,0,0|2,0,0]=4 4021 B8R0.4 C=CCCCOCCC 7a_100000758997_100000210303 [2,0,0,0,0,0|2,0,0]=4 4022 B8R0.4 C=CCCCSCCC 62a_100000210303_100000757094 [2,0,0,0,0,0|2,0,0]=4 4023 B8R0.4 C=CCCCSCCC 62a_100011713584_100000210303 [2,0,0,0,0,0|2,0,0]=4 4024 B8R0.4 C=CCCNCCCC 2230a_100000102301_100000754431 [2,0,0,0,0,0|2,0,0]=4 4025 B8R0.4 C=CCCNCCCC 2230a_100015191253_100000210211 [2,0,0,0,0,0|2,0,0]=4 4026 B8R0.4 C=CCCNCCCC 7a_106832991798_100000754431 [2,0,0,0,0,0|2,0,0]=4 4027 B8R0.4 C=CCCOCCCC 34a_100000210227_100000754431 [2,0,0,0,0,0|2,0,0]=4 4028 B8R0.4 C=CCCOCCCC 34a_100011205117_100000210210 [2,0,0,0,0,0|2,0,0]=4 4029 B8R0.4 C=CCCOCCCC 7a_100000210227_100000754431 [2,0,0,0,0,0|2,0,0]=4 4030 B8R0.4 C=CCCSCCCC 62a_100000210211_100000754431 [2,0,0,0,0,0|2,0,0]=4 4031 B8R0.4 C=CCCSCCCC 62a_100000754431_100000210210 [2,0,0,0,0,0|2,0,0]=4 4032 B8R0.4 C=CCNCCCCC 2230a_100000209983_100000210623 [2,0,0,0,0,0|2,0,0]=4 4033 B8R0.4 C=CCNCCCCC 2230a_100020586998_100000210326 [2,0,0,0,0,0|2,0,0]=4 4034 B8R0.4 C=CCOCCCCC 34a_100000210253_100015514636 [2,0,0,0,0,0|2,0,0]=4 4035 B8R0.4 C=CCOCCCCC 34a_200000210373_100000718602 [2,0,0,0,0,0|2,0,0]=4 4036 B8R0.4 C=CCOCCCCC 7a_100000210253_100015514636 [2,0,0,0,0,0|2,0,0]=4 4037 B8R0.4 C=CCSCCCCC 62a_100000210326_100000210623 [2,0,0,0,0,0|2,0,0]=4 4038 B8R0.4 C=CCSCCCCC 62a_100000210623_100000210326 [2,0,0,0,0,0|2,0,0]=4 4039 B8R0.4 CCCCCCCNC 2230a_100000229938_200000210301 [2,0,0,0,0,0|1,0,0]=3 4040 B8R0.4 CCCCCCCNC 2230a_106832991635_100000210681 [2,0,0,0,0,0|1,0,0]=3 4041 B8R0.4 CCCCCCCNC 34a_100102657272_100000210614 [2,0,0,0,0,0|1,0,0]=3 4042 B8R0.4 CCCCCCCNC 7a_106832991635_100000210614 [2,0,0,0,0,0|1,0,0]=3 4043 B8R0.4 CCCCCCCN[13CH3] 2230a_100000229938_200025704644 [2,0,0,0,0,0|1,0,0]=3 4044 B8R0.4 CCCCCCCOC 34a_100000210272_200000210301 [2,0,0,0,0,0|2,0,0]=4 4045 B8R0.4 CCCCCCCOC 34a_100138415774_100000210614 [2,0,0,0,0,0|2,0,0]=4 4046 B8R0.4 CCCCCCCOC 7a_100000210272_200000210301 [2,0,0,0,0,0|2,0,0]=4 4047 B8R0.4 CCCCCCCO[13CH3] 34a_100000210272_200025704644 [2,0,0,0,0,0|2,0,0]=4 4048 B8R0.4 CCCCCCCO[13CH3] 7a_100000210272_200025704644 [2,0,0,0,0,0|2,0,0]=4 4049 B8R0.4 CCCCCCCSC 62a_100000210614_200000210301 [2,0,0,0,0,0|2,0,0]=4 4050 B8R0.4 CCCCCCCSC 62a_200000210301_100000210316 [2,0,0,0,0,0|2,0,0]=4 4051 B8R0.4 CCCCCCCS[13CH3] 62a_100000210614_200025704644 [2,0,0,0,0,0|2,0,0]=4 4052 B8R0.4 CCCCCCCS[13CH3] 62a_200025704644_100000210316 [2,0,0,0,0,0|2,0,0]=4 4053 B8R0.4 CCCCCNCC=O 2230a_100000209983_200015260668 [2,0,0,0,0,0|1,0,0]=3 4054 B8R0.4 CCCCCNCCO 2230a_100000209983_100000211926 [2,0,0,0,0,0|1,0,1]=4 4055 B8R0.4 CCCCCNCCO 2230a_100016997473_100000210326 [2,0,0,0,0,0|1,0,1]=4 4056 B8R0.4 CCCCCNCCO 34a_100016990907_100000718602 [2,0,0,0,0,0|1,0,1]=4 4057 B8R0.4 CCCCCOCC=O 34a_100000210253_200009817547 [2,0,0,0,0,0|1,0,0]=3 4058 B8R0.4 CCCCCOCC=O 7a_100000210253_200015260668 [2,0,0,0,0,0|1,0,0]=3 4059 B8R0.4 CCCCCOCCN 34a_100000210304_100000718602 [2,0,0,0,0,0|1,0,1]=4 4060 B8R0.4 CCCCCOCCO 34a_100000210253_100000211926 [2,0,0,0,0,0|1,0,1]=4 4061 B8R0.4 CCCCCOCCO 7a_100000210253_100000211926 [2,0,0,0,0,0|1,0,1]=4 4062 B8R0.4 CCCCCSCC=O 62a_100000210326_200015260668 [2,0,0,0,0,0|1,0,0]=3 4063 B8R0.4 CCCCCSCC=O 62a_200015260668_100000210326 [2,0,0,0,0,0|1,0,0]=3 4064 B8R0.4 CCCCCSCCO 62a_100000210326_100000211926 [2,0,0,0,0,0|1,0,1]=4 4065 B8R0.4 CCCCCSCCO 62a_100000211926_100000210326 [2,0,0,0,0,0|1,0,1]=4 4066 B8R0.4 CCCCNCCCO 2230a_100000102301_100000230001 [2,0,0,0,0,0|1,0,1]=4 4067 B8R0.4 CCCCNCCCO 7a_106832991798_100011215043 [2,0,0,0,0,0|1,0,1]=4 4068 B8R0.4 CCCCOCCCN 34a_100000182051_100000210210 [2,0,0,0,0,0|1,0,1]=4 4069 B8R0.4 CCCCOCCCO 34a_100000210227_100000230001 [2,0,0,0,0,0|1,0,1]=4 4070 B8R0.4 CCCCOCCCO 7a_100000210227_100011215043 [2,0,0,0,0,0|1,0,1]=4 4071 B8R0.4 CCCCOCCNC 2230a_106832991635_100000743108 [2,0,0,0,0,0|2,0,0]=4 4072 B8R0.4 CCCCOCCNC 34a_100102657272_100000743108 [2,0,0,0,0,0|2,0,0]=4 4073 B8R0.4 CCCCOCCNC 7a_106832991635_100000743108 [2,0,0,0,0,0|2,0,0]=4 4074 B8R0.4 CCCCOCCON 34a_100000700252_100000210210 [2,0,0,0,0,0|2,0,0]=4 4075 B8R0.4 CCCCSCCCO 62a_100000210211_100011215043 [2,0,0,0,0,0|1,0,1]=4 4076 B8R0.4 CCCCSCCCO 62a_100011215043_100000210210 [2,0,0,0,0,0|1,0,1]=4 4077 B8R0.4 CCCCSCCNC 2230a_100025743550_200000210301 [2,0,0,0,0,0|2,0,0]=4 4078 B8R0.4 CCCCSCCN[13CH3] 2230a_100025743550_200025704644 [2,0,0,0,0,0|2,0,0]=4 4079 B8R0.4 CCCNCCCCO 2230a_100000750430_100000210303 [2,0,0,0,0,0|1,0,1]=4 4080 B8R0.4 CCCNCCCCO 34a_100000750430_100000210303 [2,0,0,0,0,0|1,0,1]=4 4081 B8R0.4 CCCOCCCCN 34a_100000750430_100000210303 [2,0,0,0,0,0|1,0,1]=4 4082 B8R0.4 CCCOCCCCO 34a_100000210258_100011216708 [2,0,0,0,0,0|1,0,1]=4 4083 B8R0.4 CCCOCCCNC 2230a_100011217757_200000210301 [2,0,0,0,0,0|2,0,0]=4 4084 B8R0.4 CCCOCCCNC 34a_100000213112_100000210303 [2,0,0,0,0,0|2,0,0]=4 4085 B8R0.4 CCCOCCCNC 34a_100011217757_200000210301 [2,0,0,0,0,0|2,0,0]=4 4086 B8R0.4 CCCOCCCN[13CH3] 2230a_100011217757_200025704644 [2,0,0,0,0,0|2,0,0]=4 4087 B8R0.4 CCCOCCCN[13CH3] 34a_100011217757_200025704644 [2,0,0,0,0,0|2,0,0]=4 4088 B8R0.4 CCCSCCCC=O 62a_100000210303_200011292268 [2,0,0,0,0,0|1,0,0]=3 4089 B8R0.4 CCCSCCCC=O 62a_200011292268_100000210303 [2,0,0,0,0,0|1,0,0]=3 4090 B8R0.4 CCCSCCCCO 62a_100000210303_100000210776 [2,0,0,0,0,0|1,0,1]=4 4091 B8R0.4 CCCSCCCCO 62a_100000210776_100000210303 [2,0,0,0,0,0|1,0,1]=4 4092 B8R0.4 CCNCCCCC=O 2230a_100015525214_100000139335 [2,0,0,0,0,0|1,0,0]=3 4093 B8R0.4 CCNCCCCCO 2230a_100000762737_100000210202 [2,0,0,0,0,0|1,0,1]=4 4094 B8R0.4 CCNCCCCCO 2230a_100015525214_100000746330 [2,0,0,0,0,0|1,0,1]=4 4095 B8R0.4 CCNCCCCCO 34a_100000762737_100000210202 [2,0,0,0,0,0|1,0,1]=4 4096 B8R0.4 CCOCCCCCN 34a_100000762737_100000210202 [2,0,0,0,0,0|1,0,1]=4 4097 B8R0.4 CCOCCCCCO 34a_100121572206_100000746330 [2,0,0,0,0,0|1,0,1]=4 4098 B8R0.4 CCOCCNCC=O 2230a_102516460346_200015260668 [2,0,0,0,0,0|2,0,0]=4 4099 B8R0.4 CCOCCNCC=O 34a_102516460346_200009817547 [2,0,0,0,0,0|2,0,0]=4 4100 B8R0.4 CCOCCOCC=O 34a_100000210136_200009817547 [2,0,0,0,0,0|2,0,0]=4 4101 B8R0.4 CCOCCOCC=O 7a_100000210136_200015260668 [2,0,0,0,0,0|2,0,0]=4 4102 B8R0.4 CCOCCSCC=O 62a_100000210147_200015260668 [2,0,0,0,0,0|2,0,0]=4 4103 B8R0.4 CCOCCSCC=O 62a_200015260668_100011215890 [2,0,0,0,0,0|2,0,0]=4 4104 B8R0.4 CCSCCCCC=O 62a_100000139335_100000210202 [2,0,0,0,0,0|1,0,0]=3 4105 B8R0.4 CCSCCCCC=O 62a_100000210202_100000139335 [2,0,0,0,0,0|1,0,0]=3 4106 B8R0.4 CCSCCCCCO 62a_100000210202_100000746330 [2,0,0,0,0,0|1,0,1]=4 4107 B8R0.4 CCSCCCCCO 62a_100000746330_100000210202 [2,0,0,0,0,0|1,0,1]=4 4108 B8R0.4 CCSCCNCC=O 2230a_100000106463_200015260668 [2,0,0,0,0,0|2,0,0]=4 4109 B8R0.4 CCSCCOCC=O 34a_100000212035_200009817547 [2,0,0,0,0,0|2,0,0]=4 4110 B8R0.4 CCSCCOCC=O 7a_100000212035_200015260668 [2,0,0,0,0,0|2,0,0]=4 4111 B8R0.4 CCSCCSCC=O 62a_100000757381_200015260668 [2,0,0,0,0,0|2,0,0]=4 4112 B8R0.4 CCSCCSCC=O 62a_200015260668_100000757381 [2,0,0,0,0,0|2,0,0]=4 4113 B8R0.4 CNCCCCCC=O 2230a_106832991635_100000139337 [2,0,0,0,0,0|1,0,0]=3 4114 B8R0.4 CNCCCCCC=O 7a_106832991635_100000139337 [2,0,0,0,0,0|1,0,0]=3 4115 B8R0.4 CNCCCCCCF 2230a_106832991635_100015922095 [2,0,0,0,0,0|2,0,0]=4 4116 B8R0.4 CNCCCCCCF 34a_100102657272_100015922095 [2,0,0,0,0,0|2,0,0]=4 4117 B8R0.4 CNCCCCCCF 7a_106832991635_100015922095 [2,0,0,0,0,0|2,0,0]=4 4118 B8R0.4 CNCCCCCCO 2230a_100000686447_200000210301 [2,0,0,0,0,0|1,0,1]=4 4119 B8R0.4 CNCCCCCCO 2230a_106832991635_100000766143 [2,0,0,0,0,0|1,0,1]=4 4120 B8R0.4 CNCCCCCCO 34a_100000686447_200000210301 [2,0,0,0,0,0|1,0,1]=4 4121 B8R0.4 CNCCCCCCO 34a_100102657272_100000766143 [2,0,0,0,0,0|1,0,1]=4 4122 B8R0.4 CNCCCCCCO 7a_106832991635_100000766143 [2,0,0,0,0,0|1,0,1]=4 4123 B8R0.4 CNCCCCCOC 2230a_100000747528_200000210301 [2,0,0,0,0,0|2,0,0]=4 4124 B8R0.4 CNCCCCCOC 34a_100000722520_200000210301 [2,0,0,0,0,0|2,0,0]=4 4125 B8R0.4 CNCCCCCOC 34a_100000747528_200000210301 [2,0,0,0,0,0|2,0,0]=4 4126 B8R0.4 CNCCCCCO[13CH3] 34a_100000722520_200025704644 [2,0,0,0,0,0|2,0,0]=4 4127 B8R0.4 CNCCCOCC=O 34a_100000213112_200009817547 [2,0,0,0,0,0|2,0,0]=4 4128 B8R0.4 COCCCCCCN 34a_100000686447_200000210301 [2,0,0,0,0,0|1,0,1]=4 4129 B8R0.4 COCCCCCCO 34a_100138415774_100000766143 [2,0,0,0,0,0|1,0,1]=4 4130 B8R0.4 COCCCCCN[13CH3] 2230a_100000747528_200025704644 [2,0,0,0,0,0|2,0,0]=4 4131 B8R0.4 COCCCCCN[13CH3] 34a_100000747528_200025704644 [2,0,0,0,0,0|2,0,0]=4 4132 B8R0.4 COCCCNCC=O 34a_100150723488_200009817547 [2,0,0,0,0,0|2,0,0]=4 4133 B8R0.4 COCCCOCC=O 34a_100000740835_200009817547 [2,0,0,0,0,0|2,0,0]=4 4134 B8R0.4 COCCCSCC=O 62a_100000709357_200015260668 [2,0,0,0,0,0|2,0,0]=4 4135 B8R0.4 COCCCSCC=O 62a_200015260668_100000709357 [2,0,0,0,0,0|2,0,0]=4 4136 B8R0.4 COCSCCCC=O 62a_100000766300_200011292268 [2,0,0,0,0,0|2,0,0]=4 4137 B8R0.4 COCSCCCC=O 62a_200011292268_100000766300 [2,0,0,0,0,0|2,0,0]=4 4138 B8R0.4 CSCCCCCC=O 62a_100000139337_200000210301 [2,0,0,0,0,0|1,0,0]=3 4139 B8R0.4 CSCCCCCC=O 62a_200000210301_100000139337 [2,0,0,0,0,0|1,0,0]=3 4140 B8R0.4 CSCCCCCCO 62a_100000766143_200000210301 [2,0,0,0,0,0|1,0,1]=4 4141 B8R0.4 CSCCCCCCO 62a_200000210301_100000766143 [2,0,0,0,0,0|1,0,1]=4 4142 B8R0.4 CSCCCNCC=O 2230a_100000749238_200015260668 [2,0,0,0,0,0|2,0,0]=4 4143 B8R0.4 CSCCCOCC=O 34a_100000690336_200009817547 [2,0,0,0,0,0|2,0,0]=4 4144 B8R0.4 CSCCCOCC=O 7a_100000690336_200015260668 [2,0,0,0,0,0|2,0,0]=4 4145 B8R0.4 CSCSCCCC=O 62a_100011218213_200011292268 [2,0,0,0,0,0|2,0,0]=4 4146 B8R0.4 CSCSCCCC=O 62a_200011292268_100011218213 [2,0,0,0,0,0|2,0,0]=4 4147 B8R0.4 NCCCCOCC=O 34a_100000750430_200009817547 [2,0,0,0,0,0|2,0,0]=4 4148 B8R0.4 O=CCCCCSCF 62a_100000139335_100015361967 [2,0,0,0,0,0|2,0,0]=4 4149 B8R0.4 O=CCCCCSCF 62a_100015361967_100000139335 [2,0,0,0,0,0|2,0,0]=4 4150 B8R0.4 O=CCCCNCCO 2230a_100016997473_200011292268 [2,0,0,0,0,0|2,0,0]=4 4151 B8R0.4 O=CCCCSCCF 62a_100011217306_200011292268 [2,0,0,0,0,0|2,0,0]=4 4152 B8R0.4 O=CCCCSCCF 62a_200011292268_100011217306 [2,0,0,0,0,0|2,0,0]=4 4153 B8R0.4 O=CCCCSCCO 62a_100000211926_200011292268 [2,0,0,0,0,0|2,0,0]=4 4154 B8R0.4 O=CCCCSCCO 62a_200011292268_100000211926 [2,0,0,0,0,0|2,0,0]=4 4155 B8R0.4 O=CCNCCCCO 2230a_100000750430_200015260668 [2,0,0,0,0,0|2,0,0]=4 4156 B8R0.4 O=CCNCCCCO 34a_100000750430_200009817547 [2,0,0,0,0,0|2,0,0]=4 4157 B8R0.4 O=CCOCCCCBr 34a_100011216708_200009817547 [2,0,0,0,0,0|2,0,0]=4 4158 B8R0.4 O=CCOCCCCCl 34a_100000210776_200009817547 [2,0,0,0,0,0|2,0,0]=4 4159 B8R0.4 O=CCOCCCCCl 7a_100000210776_200015260668 [2,0,0,0,0,0|2,0,0]=4 4160 B8R0.4 O=CCOCCCCF 34a_100011995726_200009817547 [2,0,0,0,0,0|2,0,0]=4 4161 B8R0.4 O=CCOCCCCF 7a_100011995726_200015260668 [2,0,0,0,0,0|2,0,0]=4 4162 B8R0.4 O=CCOCCCCI 34a_200012148704_200009817547 [2,0,0,0,0,0|2,0,0]=4 4163 B8R0.4 O=CCSCCCCF 62a_100000729493_200015260668 [2,0,0,0,0,0|2,0,0]=4 4164 B8R0.4 O=CCSCCCCF 62a_200015260668_100000729493 [2,0,0,0,0,0|2,0,0]=4 4165 B8R0.4 O=CCSCCCCO 62a_100000210776_200015260668 [2,0,0,0,0,0|2,0,0]=4 4166 B8R0.4 O=CCSCCCCO 62a_200015260668_100000210776 [2,0,0,0,0,0|2,0,0]=4 4167 B8R0.4 [13CH3]NCCCCCCO 2230a_100000686447_200025704644 [2,0,0,0,0,0|1,0,1]=4 4168 B8R0.4 [13CH3]NCCCCCCO 34a_100000686447_200025704644 [2,0,0,0,0,0|1,0,1]=4 4169 B8R0.4 [13CH3]OCCCCCCN 34a_100000686447_200025704644 [2,0,0,0,0,0|1,0,1]=4 4170 B8R0.4 [13CH3]SCCCCCC=O 62a_100000139337_200025704644 [2,0,0,0,0,0|1,0,0]=3 4171 B8R0.4 [13CH3]SCCCCCC=O 62a_200025704644_100000139337 [2,0,0,0,0,0|1,0,0]=3 4172 B8R0.4 [13CH3]SCCCCCCO 62a_100000766143_200025704644 [2,0,0,0,0,0|1,0,1]=4 4173 B8R0.4 [13CH3]SCCCCCCO 62a_200025704644_100000766143 [2,0,0,0,0,0|1,0,1]=4 4174 B8R0.7 CC(=O)CCCCCF 1458a_100000070787_100000729378 [2,0,0,0,0,0|2,0,0]=4 4175 B8R0.7 CC(=O)CCCCCO 1458a_100000070787_100000746330 [2,0,0,0,0,0|2,0,0]=4 4176 B8R0.7 CC(=O)CCCCCO 1458a_100102619762_200000210301 [2,0,0,0,0,0|2,0,0]=4 4177 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [2,0,0,0,0,0|2,0,0]=4 4178 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [2,0,0,0,0,0|2,0,0]=4 4179 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [2,0,0,0,0,0|1,0,0]=3 4180 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [2,0,0,0,0,0|1,0,0]=3 4181 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [2,0,0,0,0,0|1,0,0]=3 4182 B8R0.7 CCCCCNC(=O)C 11a_100000209983_100015343762 [2,0,0,0,0,0|2,0,0]=4 4183 B8R0.7 CCCCCNC(=O)C 1626a_100000209983_100015343762 [2,0,0,0,0,0|2,0,0]=4 4184 B8R0.7 CCCCCNC(=O)C 240690a_100000209983_100015343762 [2,0,0,0,0,0|2,0,0]=4 4185 B8R0.7 CCCCCNC(=O)C 527a_100000209983_100103153847 [2,0,0,0,0,0|2,0,0]=4 4186 B8R0.7 CCCCNCC(=O)N 2230a_100000102301_100000747473 [2,0,0,0,0,0|1,0,0]=3 4187 B8R0.7 CCCCNCC(=O)N 2230a_100000711301_100000210211 [2,0,0,0,0,0|1,0,0]=3 4188 B8R0.7 CCCCNCC(=O)N 7a_106832991798_100000187820 [2,0,0,0,0,0|1,0,0]=3 4189 B8R0.7 CCCCNCC(=O)O 269956a_100016091260_100000210211 [2,0,0,0,0,0|1,0,0]=3 4190 B8R0.7 CCCCOCC(=O)C 1458a_100000070787_100011995733 [2,0,0,0,0,0|2,0,0]=4 4191 B8R0.7 CCCCOCC(=O)C 1458a_100000757543_200000210301 [2,0,0,0,0,0|2,0,0]=4 4192 B8R0.7 CCCCOCC(=O)C 34a_100000211253_100000210210 [2,0,0,0,0,0|2,0,0]=4 4193 B8R0.7 CCCCOCC(=O)N 34a_100000210227_100000187820 [2,0,0,0,0,0|1,0,0]=3 4194 B8R0.7 CCCCOCC(=O)N 7a_100000210227_100000187820 [2,0,0,0,0,0|1,0,0]=3 4195 B8R0.7 CCCCOCC(=O)[13CH3] 1458a_100000757543_200025704644 [2,0,0,0,0,0|2,0,0]=4 4196 B8R0.7 CCCCOCC(=O)[O-] 34a_100000210227_100020667443 [2,0,0,0,0,0|1,0,1]=4 4197 B8R0.7 CCCCSCC(=O)C 1458a_100000191162_200000210301 [2,0,0,0,0,0|2,0,0]=4 4198 B8R0.7 CCCCSCC(=O)N 62a_100000210211_100000747473 [2,0,0,0,0,0|1,0,0]=3 4199 B8R0.7 CCCCSCC(=O)N 62a_100000747473_100000210210 [2,0,0,0,0,0|1,0,0]=3 4200 B8R0.7 CCCCSCC(=O)[13CH3] 1458a_100000191162_200025704644 [2,0,0,0,0,0|2,0,0]=4 4201 B8R0.7 CCCCSCC(=O)[O-] 62a_100000210211_100020667443 [2,0,0,0,0,0|1,0,1]=4 4202 B8R0.7 CCCCSCC(=O)[O-] 62a_100020667443_100000210210 [2,0,0,0,0,0|1,0,1]=4 4203 B8R0.7 CCCNOCC(=O)O 269956a_100000106656_100000210207 [2,0,0,0,0,0|2,0,0]=4 4204 B8R0.7 CCCOCCC(=O)C 1458a_100000070787_100011215938 [2,0,0,0,0,0|2,0,0]=4 4205 B8R0.7 CCCOCCC(=O)C 34a_100000759926_100000210303 [2,0,0,0,0,0|2,0,0]=4 4206 B8R0.7 CCCOCCC(=O)C 7a_100000759926_100000210303 [2,0,0,0,0,0|2,0,0]=4 4207 B8R0.7 CCCOCCC(=O)N 34a_100000210258_100000731001 [2,0,0,0,0,0|1,0,0]=3 4208 B8R0.7 CCCOCCC(=O)N 34a_100000757172_100000210303 [2,0,0,0,0,0|1,0,0]=3 4209 B8R0.7 CCCOCCC(=O)N 7a_100000757172_100000210303 [2,0,0,0,0,0|1,0,0]=3 4210 B8R0.7 CCCSCCC(=O)C 62a_100000053229_100000210303 [2,0,0,0,0,0|2,0,0]=4 4211 B8R0.7 CCCSCCC(=O)C 62a_100000210303_100000053229 [2,0,0,0,0,0|2,0,0]=4 4212 B8R0.7 CCCSCCC(=O)N 62a_100000210303_100000744528 [2,0,0,0,0,0|1,0,0]=3 4213 B8R0.7 CCCSCCC(=O)N 62a_100000744528_100000210303 [2,0,0,0,0,0|1,0,0]=3 4214 B8R0.7 CCNCCCC(=O)N 34a_100000739312_100000210202 [2,0,0,0,0,0|1,0,0]=3 4215 B8R0.7 CCNCCNC(=O)N 2230a_100015525214_200000034859 [2,0,0,0,0,0|2,0,0]=4 4216 B8R0.7 CCNCCNC(=O)N 34a_100020590234_100000210202 [2,0,0,0,0,0|2,0,0]=4 4217 B8R0.7 CCOCCCC(=O)C 1458a_100000070787_100012232248 [2,0,0,0,0,0|2,0,0]=4 4218 B8R0.7 CCOCCCC(=O)C 34a_100000759063_100000210202 [2,0,0,0,0,0|2,0,0]=4 4219 B8R0.7 CCOCCCC(=O)C 34a_100121572206_100000685027 [2,0,0,0,0,0|2,0,0]=4 4220 B8R0.7 CCOCCCC(=O)C 7a_100000759063_100000210202 [2,0,0,0,0,0|2,0,0]=4 4221 B8R0.7 CCOCCCC(=O)N 34a_100121572206_100102525003 [2,0,0,0,0,0|1,0,0]=3 4222 B8R0.7 CCOCCNC(=O)N 34a_100000181757_100000210202 [2,0,0,0,0,0|2,0,0]=4 4223 B8R0.7 CCOCCOC(=O)N 34a_100121572206_200011214921 [2,0,0,0,0,0|2,0,0]=4 4224 B8R0.7 CCOCCOC(=O)N 7a_100000766696_100000210202 [2,0,0,0,0,0|2,0,0]=4 4225 B8R0.7 CCOCNCC(=O)O 269956a_100016091260_100000739092 [2,0,0,0,0,0|2,0,0]=4 4226 B8R0.7 CCOCSCC(=O)N 62a_100000739092_100000747473 [2,0,0,0,0,0|2,0,0]=4 4227 B8R0.7 CCOCSCC(=O)N 62a_100000747473_100000739092 [2,0,0,0,0,0|2,0,0]=4 4228 B8R0.7 CCSCCCC(=O)C 62a_100000210202_100011215641 [2,0,0,0,0,0|2,0,0]=4 4229 B8R0.7 CCSCCCC(=O)C 62a_100011215641_100000210202 [2,0,0,0,0,0|2,0,0]=4 4230 B8R0.7 CCSCCCC(=O)N 62a_100000210202_100102525003 [2,0,0,0,0,0|1,0,0]=3 4231 B8R0.7 CCSCCCC(=O)N 62a_100102525003_100000210202 [2,0,0,0,0,0|1,0,0]=3 4232 B8R0.7 CCSCCNC(=O)N 62a_100000210202_200000034859 [2,0,0,0,0,0|2,0,0]=4 4233 B8R0.7 CCSCCNC(=O)N 62a_200000034859_100000210202 [2,0,0,0,0,0|2,0,0]=4 4234 B8R0.7 CCSCCOC(=O)N 62a_100000210202_200011214921 [2,0,0,0,0,0|2,0,0]=4 4235 B8R0.7 CCSCCOC(=O)N 62a_200011214921_100000210202 [2,0,0,0,0,0|2,0,0]=4 4236 B8R0.7 CNCCCCC(=O)C 34a_100102657272_100009817362 [2,0,0,0,0,0|2,0,0]=4 4237 B8R0.7 CNCCCCC(=O)C 7a_106832991635_100000735457 [2,0,0,0,0,0|2,0,0]=4 4238 B8R0.7 CNCCCCC(=O)N 34a_100000696515_200000210301 [2,0,0,0,0,0|1,0,0]=3 4239 B8R0.7 CNCCOCC(=O)N 2230a_106832991635_100000076697 [2,0,0,0,0,0|2,0,0]=4 4240 B8R0.7 CNCCOCC(=O)N 34a_100102657272_100000076697 [2,0,0,0,0,0|2,0,0]=4 4241 B8R0.7 CNCCOCC(=O)N 7a_106832991635_100000076697 [2,0,0,0,0,0|2,0,0]=4 4242 B8R0.7 CNCCOCC(=O)O 269956a_100000700818_200000210301 [2,0,0,0,0,0|2,0,0]=4 4243 B8R0.7 COCCCCC(=O)C 1458a_100000070787_100000755781 [2,0,0,0,0,0|2,0,0]=4 4244 B8R0.7 COCCCCC(=O)C 34a_100138415774_100009817362 [2,0,0,0,0,0|2,0,0]=4 4245 B8R0.7 COCCCCC(=O)N 34a_100012022536_200000210301 [2,0,0,0,0,0|1,0,0]=3 4246 B8R0.7 COCCCCC(=O)N 7a_100012022536_200000210301 [2,0,0,0,0,0|1,0,0]=3 4247 B8R0.7 COCCNCC(=O)N 2230a_100000209980_100000747473 [2,0,0,0,0,0|2,0,0]=4 4248 B8R0.7 COCCNCC(=O)N 2230a_100000711301_100011201679 [2,0,0,0,0,0|2,0,0]=4 4249 B8R0.7 COCCNCC(=O)O 269956a_100016091260_100000233755 [2,0,0,0,0,0|2,0,0]=4 4250 B8R0.7 COCCOCC(=O)N 34a_100000210237_100000187820 [2,0,0,0,0,0|2,0,0]=4 4251 B8R0.7 COCCOCC(=O)N 34a_100138415774_100000076697 [2,0,0,0,0,0|2,0,0]=4 4252 B8R0.7 COCCSCC(=O)N 62a_100000233755_100000747473 [2,0,0,0,0,0|2,0,0]=4 4253 B8R0.7 COCCSCC(=O)N 62a_100000747473_100000233755 [2,0,0,0,0,0|2,0,0]=4 4254 B8R0.7 COCSCCC(=O)N 62a_100000744528_100000766300 [2,0,0,0,0,0|2,0,0]=4 4255 B8R0.7 COCSCCC(=O)N 62a_100000766300_100000744528 [2,0,0,0,0,0|2,0,0]=4 4256 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [2,0,0,0,0,0|2,0,0]=4 4257 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [2,0,0,0,0,0|2,0,0]=4 4258 B8R0.7 CSCCNCC(=O)N 2230a_100000711301_100000751147 [2,0,0,0,0,0|2,0,0]=4 4259 B8R0.7 CSCCNCC(=O)N 2230a_100020590264_100000747473 [2,0,0,0,0,0|2,0,0]=4 4260 B8R0.7 CSCCNCC(=O)O 269956a_100016091260_100000212216 [2,0,0,0,0,0|2,0,0]=4 4261 B8R0.7 CSCCOCC(=O)N 34a_100000230434_100000187820 [2,0,0,0,0,0|2,0,0]=4 4262 B8R0.7 CSCCOCC(=O)N 62a_100000076697_200000210301 [2,0,0,0,0,0|2,0,0]=4 4263 B8R0.7 CSCCOCC(=O)N 62a_200000210301_100000076697 [2,0,0,0,0,0|2,0,0]=4 4264 B8R0.7 CSCCOCC(=O)N 7a_100000230434_100000187820 [2,0,0,0,0,0|2,0,0]=4 4265 B8R0.7 CSCCSCC(=O)N 62a_100000212216_100000747473 [2,0,0,0,0,0|2,0,0]=4 4266 B8R0.7 CSCCSCC(=O)N 62a_100000747473_100000751147 [2,0,0,0,0,0|2,0,0]=4 4267 B8R0.7 CSCOCCC(=O)N 34a_100000757172_100011218213 [2,0,0,0,0,0|2,0,0]=4 4268 B8R0.7 CSCSCCC(=O)N 62a_100000744528_100011218213 [2,0,0,0,0,0|2,0,0]=4 4269 B8R0.7 CSCSCCC(=O)N 62a_100011218213_100000744528 [2,0,0,0,0,0|2,0,0]=4 4270 B8R0.7 NC(=O)CCCNCF 34a_100000739312_100015361967 [2,0,0,0,0,0|2,0,0]=4 4271 B8R0.7 NC(=O)CCCSCF 62a_100015361967_100102525003 [2,0,0,0,0,0|2,0,0]=4 4272 B8R0.7 NC(=O)CCCSCF 62a_100102525003_100015361967 [2,0,0,0,0,0|2,0,0]=4 4273 B8R0.7 NC(=O)CCNCCF 34a_100000724931_100000731001 [2,0,0,0,0,0|2,0,0]=4 4274 B8R0.7 NC(=O)CCNCCO 2230a_100016997473_100000744528 [2,0,0,0,0,0|2,0,0]=4 4275 B8R0.7 NC(=O)CCNCCO 34a_100016990907_100000731001 [2,0,0,0,0,0|2,0,0]=4 4276 B8R0.7 NC(=O)CCOCCBr 34a_100000211926_100000731001 [2,0,0,0,0,0|2,0,0]=4 4277 B8R0.7 NC(=O)CCOCCF 34a_100000757172_100011217306 [2,0,0,0,0,0|2,0,0]=4 4278 B8R0.7 NC(=O)CCOCCF 7a_100000757172_100011217306 [2,0,0,0,0,0|2,0,0]=4 4279 B8R0.7 NC(=O)CCOCCO 34a_100000757172_100000211926 [2,0,0,0,0,0|2,0,0]=4 4280 B8R0.7 NC(=O)CCOCCO 7a_100000757172_100000211926 [2,0,0,0,0,0|2,0,0]=4 4281 B8R0.7 NC(=O)CCSCCF 62a_100000744528_100011217306 [2,0,0,0,0,0|2,0,0]=4 4282 B8R0.7 NC(=O)CCSCCF 62a_100011217306_100000744528 [2,0,0,0,0,0|2,0,0]=4 4283 B8R0.7 NC(=O)CCSCCO 62a_100000211926_100000744528 [2,0,0,0,0,0|2,0,0]=4 4284 B8R0.7 NC(=O)CCSCCO 62a_100000744528_100000211926 [2,0,0,0,0,0|2,0,0]=4 4285 B8R0.7 NC(=O)CNCCCF 2230a_100000711301_100011934791 [2,0,0,0,0,0|2,0,0]=4 4286 B8R0.7 NC(=O)CNCCCF 2230a_100015189416_100000747473 [2,0,0,0,0,0|2,0,0]=4 4287 B8R0.7 NC(=O)CNCCCF 34a_100015189416_100000187820 [2,0,0,0,0,0|2,0,0]=4 4288 B8R0.7 NC(=O)CNCCCO 2230a_100000711301_100000230001 [2,0,0,0,0,0|2,0,0]=4 4289 B8R0.7 NC(=O)COCCCBr 34a_100011217188_100000187820 [2,0,0,0,0,0|2,0,0]=4 4290 B8R0.7 NC(=O)COCCCCl 34a_100000230001_100000187820 [2,0,0,0,0,0|2,0,0]=4 4291 B8R0.7 NC(=O)COCCCF 34a_100000759539_100000187820 [2,0,0,0,0,0|2,0,0]=4 4292 B8R0.7 NC(=O)CSCCCF 62a_100000747473_100011934791 [2,0,0,0,0,0|2,0,0]=4 4293 B8R0.7 NC(=O)CSCCCF 62a_100011934791_100000747473 [2,0,0,0,0,0|2,0,0]=4 4294 B8R0.7 NC(=O)CSCCCO 62a_100000747473_100011215043 [2,0,0,0,0,0|2,0,0]=4 4295 B8R0.7 NC(=O)CSCCCO 62a_100011215043_100000747473 [2,0,0,0,0,0|2,0,0]=4 4296 B8R0.7 NCCCOCC(=O)N 34a_100000182051_100000187820 [2,0,0,0,0,0|2,0,0]=4 4297 B8R0.7 NCCOCCC(=O)N 34a_100000210304_100000731001 [2,0,0,0,0,0|2,0,0]=4 4298 B8R0.7 O=C(O)CNCCCF 269956a_100016091260_100011934791 [2,0,0,0,0,0|2,0,0]=4 4299 B8R0.7 O=C(O)CNCCCO 269956a_100016091260_100011215043 [2,0,0,0,0,0|2,0,0]=4 4300 B8R0.7 [13CH3]C(=O)CCCCCO 1458a_100102619762_200025704644 [2,0,0,0,0,0|2,0,0]=4 4301 B8R0.7 [13CH3]NCCCCC(=O)N 34a_100000696515_200025704644 [2,0,0,0,0,0|1,0,0]=3 4302 B8R0.7 [13CH3]NCCOCC(=O)O 269956a_100000700818_200025704644 [2,0,0,0,0,0|2,0,0]=4 4303 B8R0.7 [13CH3]OCCCCC(=O)N 34a_100012022536_200025704644 [2,0,0,0,0,0|1,0,0]=3 4304 B8R0.7 [13CH3]OCCCCC(=O)N 7a_100012022536_200025704644 [2,0,0,0,0,0|1,0,0]=3 4305 B8R0.7 [13CH3]SCCOCC(=O)N 62a_100000076697_200025704644 [2,0,0,0,0,0|2,0,0]=4 4306 B8R0.7 [13CH3]SCCOCC(=O)N 62a_200025704644_100000076697 [2,0,0,0,0,0|2,0,0]=4 4307 B8R0.6 C#CC(=O)CCCCC 1458a_100000211873_100000210326 [2,0,0,0,0,0|2,0,0]=4 4308 B8R0.6 C=CC(=O)CCCCC 1458a_100000185746_100000210326 [2,0,0,0,0,0|2,0,0]=4 4309 B8R0.6 CCCCCC(=O)CC 1458a_100000210414_100000210326 [2,0,0,0,0,0|2,0,0]=4 4310 B8R0.6 CCCCCC(=O)CC 1458a_100000212188_100000210202 [2,0,0,0,0,0|2,0,0]=4 4311 B8R0.6 CCCCCC(=O)CF 1458a_100000212188_100015361967 [2,0,0,0,0,0|2,0,0]=4 4312 B8R0.6 CCCCCC(=O)CO 1458a_100000210174_100000210326 [2,0,0,0,0,0|1,0,0]=3 4313 B8R0.6 CCCCCC(=O)NC 11a_106832991635_100000212188 [2,0,0,0,0,0|1,0,0]=3 4314 B8R0.6 CCCCCC(=O)NC 1626a_100102657272_100000212188 [2,0,0,0,0,0|1,0,0]=3 4315 B8R0.6 CCCCCC(=O)NC 240690a_100102657272_100000212188 [2,0,0,0,0,0|1,0,0]=3 4316 B8R0.6 CCCCCC(=O)NC 527a_100102657272_100000212188 [2,0,0,0,0,0|1,0,0]=3 4317 B8R0.6 CCCCNC(=O)CO 240690a_100000102301_100000210174 [2,0,0,0,0,0|2,0,0]=4 4318 B8R0.6 CCCCNC(=O)CO 527a_100000102301_100000210174 [2,0,0,0,0,0|2,0,0]=4 4319 B8R0.6 CCCCNC(=O)NC 2708a_100000102301_106832991635 [2,0,0,0,0,0|2,0,0]=4 4320 B8R0.6 CCCCNC(=O)NC 2708a_100102657272_100000102301 [2,0,0,0,0,0|2,0,0]=4 4321 B8R0.6 CCCCNC(=O)NC 273464a_100000102301_100102657272 [2,0,0,0,0,0|2,0,0]=4 4322 B8R0.6 CCCCNC(=O)NC 273464a_100102657272_100000102301 [2,0,0,0,0,0|2,0,0]=4 4323 B8R0.6 CCCCNC(=O)NC 512a_100000102301_100102657272 [2,0,0,0,0,0|2,0,0]=4 4324 B8R0.6 CCCCNC(=O)NC 512a_106832991638_100000102301 [2,0,0,0,0,0|2,0,0]=4 4325 B8R0.6 CCCNCC(=O)NC 2230a_100000693194_100000210303 [2,0,0,0,0,0|2,0,0]=4 4326 B8R0.6 CCCOCC(=O)NC 11a_106832991635_100000745993 [2,0,0,0,0,0|2,0,0]=4 4327 B8R0.6 CCCOCC(=O)NC 1626a_100102657272_100000745993 [2,0,0,0,0,0|2,0,0]=4 4328 B8R0.6 CCCOCC(=O)NC 240690a_100102657272_100000745993 [2,0,0,0,0,0|2,0,0]=4 4329 B8R0.6 CCCOCC(=O)NC 34a_100000210258_100000183359 [2,0,0,0,0,0|2,0,0]=4 4330 B8R0.6 CCCOCC(=O)NC 34a_100000750040_100000210303 [2,0,0,0,0,0|2,0,0]=4 4331 B8R0.6 CCCOCC(=O)NC 527a_100102657272_100000745993 [2,0,0,0,0,0|2,0,0]=4 4332 B8R0.6 CCCSCC(=O)NC 11a_106832991635_100000217233 [2,0,0,0,0,0|2,0,0]=4 4333 B8R0.6 CCCSCC(=O)NC 1626a_100102657272_100000217233 [2,0,0,0,0,0|2,0,0]=4 4334 B8R0.6 CCCSCC(=O)NC 240690a_100102657272_100000217233 [2,0,0,0,0,0|2,0,0]=4 4335 B8R0.6 CCCSCC(=O)NC 527a_100102657272_100000217233 [2,0,0,0,0,0|2,0,0]=4 4336 B8R0.6 CCCSCC(=O)NC 62a_100000183359_100000210303 [2,0,0,0,0,0|2,0,0]=4 4337 B8R0.6 CCCSCC(=O)NC 62a_100000210303_100000183359 [2,0,0,0,0,0|2,0,0]=4 4338 B8R0.6 CCNCCC(=O)NC 2230a_100000738227_100000210202 [2,0,0,0,0,0|2,0,0]=4 4339 B8R0.6 CCNCCC(=O)NC 2230a_100015525214_100000737683 [2,0,0,0,0,0|2,0,0]=4 4340 B8R0.6 CCNCCC(=O)NC 34a_100000738227_100000210202 [2,0,0,0,0,0|2,0,0]=4 4341 B8R0.6 CCOCCC(=O)CO 1458a_100000210174_100011215890 [2,0,0,0,0,0|2,0,0]=4 4342 B8R0.6 CCOCCC(=O)NC 11a_106832991635_100000749530 [2,0,0,0,0,0|2,0,0]=4 4343 B8R0.6 CCOCCC(=O)NC 1626a_100102657272_100000749530 [2,0,0,0,0,0|2,0,0]=4 4344 B8R0.6 CCOCCC(=O)NC 240690a_100102657272_100000749530 [2,0,0,0,0,0|2,0,0]=4 4345 B8R0.6 CCOCCC(=O)NC 34a_100000754576_100000210202 [2,0,0,0,0,0|2,0,0]=4 4346 B8R0.6 CCOCCC(=O)NC 34a_100121572206_100012179268 [2,0,0,0,0,0|2,0,0]=4 4347 B8R0.6 CCOCCC(=O)NC 527a_100102657272_100000749530 [2,0,0,0,0,0|2,0,0]=4 4348 B8R0.6 CCSCCC(=O)CO 1458a_100000210174_100000757381 [2,0,0,0,0,0|2,0,0]=4 4349 B8R0.6 CCSCCC(=O)NC 11a_106832991635_100000230768 [2,0,0,0,0,0|2,0,0]=4 4350 B8R0.6 CCSCCC(=O)NC 1626a_100102657272_100000230768 [2,0,0,0,0,0|2,0,0]=4 4351 B8R0.6 CCSCCC(=O)NC 240690a_100102657272_100000230768 [2,0,0,0,0,0|2,0,0]=4 4352 B8R0.6 CCSCCC(=O)NC 527a_100102657272_100000230768 [2,0,0,0,0,0|2,0,0]=4 4353 B8R0.6 CCSCCC(=O)NC 62a_100000210202_100000737683 [2,0,0,0,0,0|2,0,0]=4 4354 B8R0.6 CCSCCC(=O)NC 62a_100000737683_100000210202 [2,0,0,0,0,0|2,0,0]=4 4355 B8R0.6 CNC(=O)CCCCO 1626a_100102657272_100000695505 [2,0,0,0,0,0|2,0,0]=4 4356 B8R0.6 CNC(=O)CCCN[13CH3] 2230a_100000740002_200025704644 [2,0,0,0,0,0|2,0,0]=4 4357 B8R0.6 CNC(=O)CCCN[13CH3] 34a_100000740002_200025704644 [2,0,0,0,0,0|2,0,0]=4 4358 B8R0.6 CNC(=O)CCCOC 11a_106832991635_100000741012 [2,0,0,0,0,0|2,0,0]=4 4359 B8R0.6 CNC(=O)CCCOC 1626a_100102657272_100000741012 [2,0,0,0,0,0|2,0,0]=4 4360 B8R0.6 CNC(=O)CCCOC 240690a_100102657272_100000741012 [2,0,0,0,0,0|2,0,0]=4 4361 B8R0.6 CNC(=O)CCCOC 34a_100138415774_100000741757 [2,0,0,0,0,0|2,0,0]=4 4362 B8R0.6 CNC(=O)CCCOC 527a_100102657272_100000741012 [2,0,0,0,0,0|2,0,0]=4 4363 B8R0.6 CNC(=O)CCCSC 11a_106832991635_100000173376 [2,0,0,0,0,0|2,0,0]=4 4364 B8R0.6 CNC(=O)CCCSC 1626a_100102657272_100000173376 [2,0,0,0,0,0|2,0,0]=4 4365 B8R0.6 CNC(=O)CCCSC 240690a_100102657272_100000173376 [2,0,0,0,0,0|2,0,0]=4 4366 B8R0.6 CNC(=O)CCCSC 527a_100102657272_100000173376 [2,0,0,0,0,0|2,0,0]=4 4367 B8R0.6 CNC(=O)CCCSC 62a_100000741757_200000210301 [2,0,0,0,0,0|2,0,0]=4 4368 B8R0.6 CNC(=O)CCCSC 62a_200000210301_100000741757 [2,0,0,0,0,0|2,0,0]=4 4369 B8R0.6 CNC(=O)CCCS[13CH3] 62a_100000741757_200025704644 [2,0,0,0,0,0|2,0,0]=4 4370 B8R0.6 CNC(=O)CCCS[13CH3] 62a_200025704644_100000741757 [2,0,0,0,0,0|2,0,0]=4 4371 B8R0.6 CNCCCC(=O)NC 2230a_100000740002_200000210301 [2,0,0,0,0,0|2,0,0]=4 4372 B8R0.6 CNCCCC(=O)NC 2230a_106832991635_100000741757 [2,0,0,0,0,0|2,0,0]=4 4373 B8R0.6 CNCCCC(=O)NC 34a_100000740002_200000210301 [2,0,0,0,0,0|2,0,0]=4 4374 B8R0.6 CNCCCC(=O)NC 34a_100102657272_100000741757 [2,0,0,0,0,0|2,0,0]=4 4375 B8R0.6 CNCCCC(=O)NC 7a_106832991635_100000741757 [2,0,0,0,0,0|2,0,0]=4 4376 B8R0.6 COCCCC(=O)CO 1458a_100000210174_100000740836 [2,0,0,0,0,0|2,0,0]=4 4377 B8R0.6 COCCCC(=O)NN 34a_100000211488_200000210301 [2,0,0,0,0,0|2,0,0]=4 4378 B8R0.6 O=C(CO)CCCCF 1458a_100000210174_100000729493 [2,0,0,0,0,0|2,0,0]=4 4379 B8R0.6 O=C(CO)CCCCO 1458a_100000210174_100000210776 [2,0,0,0,0,0|2,0,0]=4 4380 B8R0.6 [13CH3]OCCCC(=O)NN 34a_100000211488_200025704644 [2,0,0,0,0,0|2,0,0]=4 4381 B10R0.3 CC(CCBr)OCCC(=O)N 34a_100012276601_100000731001 [1,1,0,0,0,0|2,0,0]=4 4382 B10R0.3 CC(CCN)COCC(=O)N 34a_106354213184_100000187820 [1,1,0,0,0,0|2,0,0]=4 4383 B10R0.3 CC(CCO)OCCC(=O)N 34a_100000757172_100009893172 [1,1,0,0,0,0|2,0,0]=4 4384 B10R0.3 CC(CCO)OCCC(=O)N 7a_100000757172_100009893172 [1,1,0,0,0,0|2,0,0]=4 4385 B10R0.3 CC(CCO)SCCC(=O)N 62a_100000744528_100009893172 [1,1,0,0,0,0|2,0,0]=4 4386 B10R0.3 CC(CCO)SCCC(=O)N 62a_100009893172_100000744528 [1,1,0,0,0,0|2,0,0]=4 4387 B10R0.3 CCCC(=O)CCCC(=O)C 1458a_100000211992_100011215641 [1,1,0,0,0,0|1,0,1]=4 4388 B10R0.3 CCCC(=O)CCCC(=O)N 1458a_100000211992_100102525003 [1,1,0,0,0,0|0,0,1]=3 4389 B10R0.3 CCCC(=O)CCNC(=O)N 1458a_100000181464_100000210303 [1,1,0,0,0,0|1,0,1]=4 4390 B10R0.3 CCCC(=O)CCNC(=O)N 1458a_100000211992_200000034859 [1,1,0,0,0,0|1,0,1]=4 4391 B10R0.3 CCCC(=O)CCOC(=O)N 1458a_100000211992_200011214921 [1,1,0,0,0,0|1,0,1]=4 4392 B10R0.3 CCCC(=O)CNCC(=O)N 2230a_100000711301_100000747444 [1,1,0,0,0,0|1,0,1]=4 4393 B10R0.3 CCCC(=O)CNCC(=O)O 269956a_100016091260_100000747444 [1,1,0,0,0,0|1,0,1]=4 4394 B10R0.3 CCCC(=O)COCC(=O)N 1458a_100011219004_100000210303 [1,1,0,0,0,0|1,0,1]=4 4395 B10R0.3 CCCC(=O)CSCC(=O)N 62a_100000747444_100000747473 [1,1,0,0,0,0|1,0,1]=4 4396 B10R0.3 CCCC(=O)CSCC(=O)N 62a_100000747473_100000747444 [1,1,0,0,0,0|1,0,1]=4 4397 B10R0.3 CCCC(=O)NCCC(=O)N 11a_100000740010_100000211992 [1,1,0,0,0,0|1,0,1]=4 4398 B10R0.3 CCCC(=O)NCCC(=O)N 240690a_100000740010_100000211992 [1,1,0,0,0,0|1,0,1]=4 4399 B10R0.3 CCCC(=O)NCCC(=O)N 527a_100000740010_100000211992 [1,1,0,0,0,0|1,0,1]=4 4400 B10R0.3 CCCC(C)CNCC(=O)N 2230a_100000711301_100011216630 [1,1,0,0,0,0|1,0,0]=3 4401 B10R0.3 CCCC(C)CNCC(=O)O 269956a_100016091260_100011216630 [1,1,0,0,0,0|1,0,0]=3 4402 B10R0.3 CCCC(C)COCC(=O)C 34a_100000211253_100011216630 [1,1,0,0,0,0|2,0,0]=4 4403 B10R0.3 CCCC(C)COCC(=O)N 34a_100000688023_100000187820 [1,1,0,0,0,0|1,0,0]=3 4404 B10R0.3 CCCC(C)COCC(=O)N 7a_100000688023_100000187820 [1,1,0,0,0,0|1,0,0]=3 4405 B10R0.3 CCCC(C)COCC(=O)[O-] 34a_100000688023_100020667443 [1,1,0,0,0,0|1,0,1]=4 4406 B10R0.3 CCCC(C)CSCC(=O)N 62a_100000747473_100011216630 [1,1,0,0,0,0|1,0,0]=3 4407 B10R0.3 CCCC(C)CSCC(=O)N 62a_100011216630_100000747473 [1,1,0,0,0,0|1,0,0]=3 4408 B10R0.3 CCCC(C)CSCC(=O)[O-] 62a_100011216630_100020667443 [1,1,0,0,0,0|1,0,1]=4 4409 B10R0.3 CCCC(C)CSCC(=O)[O-] 62a_100020667443_100011216630 [1,1,0,0,0,0|1,0,1]=4 4410 B10R0.3 CCCC(C)NCCC(=O)N 2230a_100000741246_100000744528 [1,1,0,0,0,0|1,0,0]=3 4411 B10R0.3 CCCC(C)NOCC(=O)O 269956a_100000106656_100000766640 [1,1,0,0,0,0|2,0,0]=4 4412 B10R0.3 CCCC(C)OCCC(=O)C 34a_100000759926_100000766640 [1,1,0,0,0,0|2,0,0]=4 4413 B10R0.3 CCCC(C)OCCC(=O)C 7a_100000759926_100000766640 [1,1,0,0,0,0|2,0,0]=4 4414 B10R0.3 CCCC(C)OCCC(=O)C 7a_100000764384_100000053229 [1,1,0,0,0,0|2,0,0]=4 4415 B10R0.3 CCCC(C)OCCC(=O)N 34a_100000757172_100000766640 [1,1,0,0,0,0|1,0,0]=3 4416 B10R0.3 CCCC(C)OCCC(=O)N 34a_100000764384_100000731001 [1,1,0,0,0,0|1,0,0]=3 4417 B10R0.3 CCCC(C)OCCC(=O)N 7a_100000757172_100000766640 [1,1,0,0,0,0|1,0,0]=3 4418 B10R0.3 CCCC(C)OCCC(=O)N 7a_100000764384_100000744528 [1,1,0,0,0,0|1,0,0]=3 4419 B10R0.3 CCCC(C)SCCC(=O)C 62a_100000053229_100000766640 [1,1,0,0,0,0|2,0,0]=4 4420 B10R0.3 CCCC(C)SCCC(=O)C 62a_100000766640_100000053229 [1,1,0,0,0,0|2,0,0]=4 4421 B10R0.3 CCCC(C)SCCC(=O)N 62a_100000744528_100000766640 [1,1,0,0,0,0|1,0,0]=3 4422 B10R0.3 CCCC(C)SCCC(=O)N 62a_100000766640_100000744528 [1,1,0,0,0,0|1,0,0]=3 4423 B10R0.3 CCCN(C)CCCC(=O)C 269982a_100000747261_100011215641 [1,1,0,0,0,0|2,0,0]=4 4424 B10R0.3 CCCN(C)CCCC(=O)N 269982a_100000747261_100102525003 [1,1,0,0,0,0|1,0,0]=3 4425 B10R0.3 CCCN(C)CCCC(=O)O 269956a_100000719178_100000210207 [1,1,0,0,0,0|1,0,0]=3 4426 B10R0.3 CCCN(C)CCNC(=O)N 2230a_100000747261_200000034859 [1,1,0,0,0,0|2,0,0]=4 4427 B10R0.3 CCCN(C)CCNC(=O)N 269982a_100000747261_200000034859 [1,1,0,0,0,0|2,0,0]=4 4428 B10R0.3 CCCN(C)CCOC(=O)N 269982a_100000747261_200011214921 [1,1,0,0,0,0|2,0,0]=4 4429 B10R0.3 CCC[C@H](N)COCC(=O)N 34a_100000732646_100000187820 [1,1,0,0,0,0|1,0,0]=3 4430 B10R0.3 CCC[C@H](N)COCC(=O)[O-] 34a_100000732646_100020667443 [1,1,0,0,0,0|1,0,1]=4 4431 B10R0.3 CCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210202 [1,1,0,0,0,0|1,0,1]=4 4432 B10R0.3 CN(CCF)CCCC(=O)O 269956a_100000719178_100011217306 [1,1,0,0,0,0|2,0,0]=4 4433 B10R0.3 CN(CCO)CCCC(=O)N 269982a_100000210263_100102525003 [1,1,0,0,0,0|2,0,0]=4 4434 B10R0.3 CN(CCO)CCCC(=O)O 269956a_100000719178_100000211926 [1,1,0,0,0,0|2,0,0]=4 4435 B10R0.3 COCC(=O)CCCC(=O)N 1458a_100000210968_100102525003 [1,1,0,0,0,0|1,0,1]=4 4436 B10R0.3 COCC(C)OCCC(=O)N 34a_100000757172_100000765312 [1,1,0,0,0,0|2,0,0]=4 4437 B10R0.3 COCC(C)OCCC(=O)N 7a_100000757172_100000765312 [1,1,0,0,0,0|2,0,0]=4 4438 B10R0.3 COCC(C)SCCC(=O)N 62a_100000744528_100000765312 [1,1,0,0,0,0|2,0,0]=4 4439 B10R0.3 COCC(C)SCCC(=O)N 62a_100000765312_100000744528 [1,1,0,0,0,0|2,0,0]=4 4440 B10R0.3 COCC(N)COCC(=O)N 34a_100000724102_100000187820 [1,1,0,0,0,0|2,0,0]=4 4441 B10R0.3 COCC(O)CNCC(=O)N 2230a_100000756049_100000747473 [1,1,0,0,0,0|2,0,0]=4 4442 B10R0.3 COCC(O)CNCC(=O)N 34a_100000756049_100000187820 [1,1,0,0,0,0|2,0,0]=4 4443 B10R0.3 COCC(O)CNCC(=O)O 269956a_100016091260_100011215053 [1,1,0,0,0,0|2,0,0]=4 4444 B10R0.3 COCC(O)CSCC(=O)N 62a_100000747473_100011215053 [1,1,0,0,0,0|2,0,0]=4 4445 B10R0.3 COCC(O)CSCC(=O)N 62a_100011215053_100000747473 [1,1,0,0,0,0|2,0,0]=4 4446 B10R0.3 COCN(C)CCCC(=O)O 269956a_100000719178_100000766300 [1,1,0,0,0,0|2,0,0]=4 4447 B10R0.3 COC[C@@H](C)NCCC(=O)N 2230a_100000764878_100000744528 [1,1,0,0,0,0|2,0,0]=4 4448 B10R0.3 COC[C@@H](C)OCCC(=O)N 34a_100011934205_100000731001 [1,1,0,0,0,0|2,0,0]=4 4449 B10R0.3 CSCC(=O)CCCC(=O)N 1458a_100000184570_100102525003 [1,1,0,0,0,0|1,0,1]=4 4450 B10R0.3 CSCN(C)CCCC(=O)O 269956a_100000719178_100011218213 [1,1,0,0,0,0|2,0,0]=4 4451 B10R0.3 C[C@H](CCO)NCCC(=O)N 2230a_100000706166_100000744528 [1,1,0,0,0,0|2,0,0]=4 4452 B10R0.3 C[C@H](CCO)NCCC(=O)N 34a_100000706166_100000731001 [1,1,0,0,0,0|2,0,0]=4 4453 B10R0.3 NC(=O)CCCC(=O)CCO 1458a_100011216618_100102525003 [1,1,0,0,0,0|1,0,1]=4 4454 B10R0.4 C#CCCCCCCC(=O)C 1458a_100000034748_200000210301 [1,1,0,0,0,0|1,0,1]=4 4455 B10R0.4 C#CCCCCCCC(=O)C 1458a_100000070787_100012276617 [1,1,0,0,0,0|1,0,1]=4 4456 B10R0.4 C#CCCCCCCC(=O)[13CH3] 1458a_100000034748_200025704644 [1,1,0,0,0,0|1,0,1]=4 4457 B10R0.4 C#CCCCCNCC(=O)N 2230a_100000706060_100000747473 [1,1,0,0,0,0|0,0,2]=4 4458 B10R0.4 C#CCCCCNCC(=O)N 2230a_100000711301_100010269958 [1,1,0,0,0,0|0,0,2]=4 4459 B10R0.4 C#CCCCCNCC(=O)N 34a_100000706060_100000187820 [1,1,0,0,0,0|0,0,2]=4 4460 B10R0.4 C#CCCCCNCC(=O)O 269956a_100016091260_100010269958 [1,1,0,0,0,0|0,0,2]=4 4461 B10R0.4 C#CCCCCOCC(=O)N 34a_100000766709_100000187820 [1,1,0,0,0,0|0,0,2]=4 4462 B10R0.4 C#CCCCCOCC(=O)N 7a_100000766709_100000187820 [1,1,0,0,0,0|0,0,2]=4 4463 B10R0.4 C#CCCCCSCC(=O)N 62a_100000747473_100010269958 [1,1,0,0,0,0|0,0,2]=4 4464 B10R0.4 C#CCCCCSCC(=O)N 62a_100010269958_100000747473 [1,1,0,0,0,0|0,0,2]=4 4465 B10R0.4 C#CCCCNCCC(=O)N 34a_100000718082_100000731001 [1,1,0,0,0,0|0,0,2]=4 4466 B10R0.4 C#CCCCOCCC(=O)N 34a_100000215630_100000731001 [1,1,0,0,0,0|0,0,2]=4 4467 B10R0.4 C#CCCCOCCC(=O)N 34a_100000757172_100000695029 [1,1,0,0,0,0|0,0,2]=4 4468 B10R0.4 C#CCCCOCCC(=O)N 7a_100000215630_100000744528 [1,1,0,0,0,0|0,0,2]=4 4469 B10R0.4 C#CCCCOCCC(=O)N 7a_100000757172_100011215417 [1,1,0,0,0,0|0,0,2]=4 4470 B10R0.4 C#CCCCSCCC(=O)N 62a_100000744528_100011215417 [1,1,0,0,0,0|0,0,2]=4 4471 B10R0.4 C#CCCCSCCC(=O)N 62a_100011215417_100000744528 [1,1,0,0,0,0|0,0,2]=4 4472 B10R0.4 C#CCCNCCCC(=O)N 34a_100000739312_100000688953 [1,1,0,0,0,0|0,0,2]=4 4473 B10R0.4 C#CCCNCCCC(=O)N 34a_100000755551_100102525003 [1,1,0,0,0,0|0,0,2]=4 4474 B10R0.4 C#CCCOCCCC(=O)N 34a_100011215631_100102525003 [1,1,0,0,0,0|0,0,2]=4 4475 B10R0.4 C#CCCSCCCC(=O)N 62a_100000688953_100102525003 [1,1,0,0,0,0|0,0,2]=4 4476 B10R0.4 C#CCCSCCCC(=O)N 62a_100102525003_100000688953 [1,1,0,0,0,0|0,0,2]=4 4477 B10R0.4 C#CCNCCCCC(=O)N 34a_100000696515_100000184674 [1,1,0,0,0,0|0,0,2]=4 4478 B10R0.4 C#CCOCCCCC(=O)N 34a_100012022536_100000184674 [1,1,0,0,0,0|0,0,2]=4 4479 B10R0.4 C#CCOCCCCC(=O)N 7a_100012022536_100000038162 [1,1,0,0,0,0|0,0,2]=4 4480 B10R0.4 C/C=C/CCOCCC(=O)N 34a_100016278192_100000731001 [1,1,0,0,0,0|0,0,2]=4 4481 B10R0.4 C/C=C/CNCCCC(=O)N 34a_100000739312_100102629194 [1,1,0,0,0,0|0,0,2]=4 4482 B10R0.4 C/C=C/COCCCC(=O)N 34a_100016270725_100102525003 [1,1,0,0,0,0|0,0,2]=4 4483 B10R0.4 C/C=C/CSCCCC(=O)N 62a_100102525003_100102629194 [1,1,0,0,0,0|0,0,2]=4 4484 B10R0.4 C/C=C/CSCCCC(=O)N 62a_100102629194_100102525003 [1,1,0,0,0,0|0,0,2]=4 4485 B10R0.4 C=C(Br)CCOCCCCC 34a_100009813270_100000718602 [1,1,0,0,0,0|2,0,0]=4 4486 B10R0.4 C=C(C)CCNCCCCC 2230a_100000209983_100000730704 [1,1,0,0,0,0|2,0,0]=4 4487 B10R0.4 C=C(C)CCOCCCCC 34a_100000210253_100000730704 [1,1,0,0,0,0|2,0,0]=4 4488 B10R0.4 C=C(C)CCOCCCCC 34a_100000764851_100000718602 [1,1,0,0,0,0|2,0,0]=4 4489 B10R0.4 C=C(C)CCOCCCCC 7a_100000210253_100000730704 [1,1,0,0,0,0|2,0,0]=4 4490 B10R0.4 C=C(C)CCSCCCCC 62a_100000210326_100000730704 [1,1,0,0,0,0|2,0,0]=4 4491 B10R0.4 C=C(C)CCSCCCCC 62a_100000730704_100000210326 [1,1,0,0,0,0|2,0,0]=4 4492 B10R0.4 C=C(C)CNCCCCCC 2230a_100000210581_100000748629 [1,1,0,0,0,0|2,0,0]=4 4493 B10R0.4 C=C(C)COCCCCCC 34a_100000210245_100000210314 [1,1,0,0,0,0|2,0,0]=4 4494 B10R0.4 C=C(C)COCCCCCC 34a_100000210259_100000748629 [1,1,0,0,0,0|2,0,0]=4 4495 B10R0.4 C=C(C)COCCCCCC 7a_100000210259_100000748629 [1,1,0,0,0,0|2,0,0]=4 4496 B10R0.4 C=C(C)CSCCCCCC 62a_100000210314_100000211660 [1,1,0,0,0,0|2,0,0]=4 4497 B10R0.4 C=C(C)CSCCCCCC 62a_100000748629_100000210757 [1,1,0,0,0,0|2,0,0]=4 4498 B10R0.4 C=C(F)CNCCCCCC 2230a_100000210581_100009893438 [1,1,0,0,0,0|2,0,0]=4 4499 B10R0.4 C=C(F)COCCCCCC 34a_100000210259_100009893438 [1,1,0,0,0,0|2,0,0]=4 4500 B10R0.4 C=C(F)COCCCCCC 34a_200010262243_100000210314 [1,1,0,0,0,0|2,0,0]=4 4501 B10R0.4 C=C(F)COCCCCCC 7a_100000210259_100000042424 [1,1,0,0,0,0|2,0,0]=4 4502 B10R0.4 C=C(F)CSCCCCCC 62a_100000042424_100000210757 [1,1,0,0,0,0|2,0,0]=4 4503 B10R0.4 C=C(F)CSCCCCCC 62a_100000210314_100000042424 [1,1,0,0,0,0|2,0,0]=4 4504 B10R0.4 C=CCCCCCCC(=O)C 1458a_100000070787_100011215473 [1,1,0,0,0,0|1,0,1]=4 4505 B10R0.4 C=CCCCCCCC(=O)C 1458a_100011809334_200000210301 [1,1,0,0,0,0|1,0,1]=4 4506 B10R0.4 C=CCCCCCCC(=O)[13CH3] 1458a_100011809334_200025704644 [1,1,0,0,0,0|1,0,1]=4 4507 B10R0.4 C=CCCCCNCC(=O)N 2230a_100000703577_100000747473 [1,1,0,0,0,0|0,0,2]=4 4508 B10R0.4 C=CCCCCNCC(=O)N 2230a_100000711301_100011215482 [1,1,0,0,0,0|0,0,2]=4 4509 B10R0.4 C=CCCCCNCC(=O)N 34a_100000703577_100000187820 [1,1,0,0,0,0|0,0,2]=4 4510 B10R0.4 C=CCCCCNCC(=O)O 269956a_100016091260_100011215482 [1,1,0,0,0,0|0,0,2]=4 4511 B10R0.4 C=CCCCCOCC(=O)N 34a_100000766645_100000187820 [1,1,0,0,0,0|0,0,2]=4 4512 B10R0.4 C=CCCCCOCC(=O)N 7a_100000766645_100000187820 [1,1,0,0,0,0|0,0,2]=4 4513 B10R0.4 C=CCCCCSCC(=O)N 62a_100000747473_100011215482 [1,1,0,0,0,0|0,0,2]=4 4514 B10R0.4 C=CCCCCSCC(=O)N 62a_100011215482_100000747473 [1,1,0,0,0,0|0,0,2]=4 4515 B10R0.4 C=CCCCNCCC(=O)N 2230a_100000700776_100000744528 [1,1,0,0,0,0|0,0,2]=4 4516 B10R0.4 C=CCCCNCCC(=O)N 34a_100000700776_100000731001 [1,1,0,0,0,0|0,0,2]=4 4517 B10R0.4 C=CCCCOCCC(=O)N 34a_100000757172_100000757094 [1,1,0,0,0,0|0,0,2]=4 4518 B10R0.4 C=CCCCOCCC(=O)N 34a_100000758997_100000731001 [1,1,0,0,0,0|0,0,2]=4 4519 B10R0.4 C=CCCCOCCC(=O)N 7a_100000757172_100000757094 [1,1,0,0,0,0|0,0,2]=4 4520 B10R0.4 C=CCCCOCCC(=O)N 7a_100000758997_100000744528 [1,1,0,0,0,0|0,0,2]=4 4521 B10R0.4 C=CCCCSCCC(=O)N 62a_100000744528_100000757094 [1,1,0,0,0,0|0,0,2]=4 4522 B10R0.4 C=CCCCSCCC(=O)N 62a_100011713584_100000744528 [1,1,0,0,0,0|0,0,2]=4 4523 B10R0.4 C=CCCNCCCC(=O)N 34a_100000739312_100000754431 [1,1,0,0,0,0|0,0,2]=4 4524 B10R0.4 C=CCCOCCCC(=O)N 34a_100011205117_100102525003 [1,1,0,0,0,0|0,0,2]=4 4525 B10R0.4 C=CCCSCCCC(=O)N 62a_100000754431_100102525003 [1,1,0,0,0,0|0,0,2]=4 4526 B10R0.4 C=CCCSCCCC(=O)N 62a_100102525003_100000754431 [1,1,0,0,0,0|0,0,2]=4 4527 B10R0.4 C=CCNCCCCC(=O)N 34a_100000696515_100015514636 [1,1,0,0,0,0|0,0,2]=4 4528 B10R0.4 C=CCOCCCCC(=O)N 34a_100012022536_100015514636 [1,1,0,0,0,0|0,0,2]=4 4529 B10R0.4 C=CCOCCCCC(=O)N 7a_100012022536_100015514636 [1,1,0,0,0,0|0,0,2]=4 4530 B10R0.4 CC#CCCOCCC(=O)N 34a_100000750427_100000731001 [1,1,0,0,0,0|0,0,2]=4 4531 B10R0.4 CC#CCNCCCC(=O)N 34a_100000685387_100102525003 [1,1,0,0,0,0|0,0,2]=4 4532 B10R0.4 CC#CCNCCCC(=O)N 34a_100000739312_100000748600 [1,1,0,0,0,0|0,0,2]=4 4533 B10R0.4 CC#CCOCCCC(=O)N 34a_100000761923_100102525003 [1,1,0,0,0,0|0,0,2]=4 4534 B10R0.4 CC#CCSCCCC(=O)N 62a_100000748600_100102525003 [1,1,0,0,0,0|0,0,2]=4 4535 B10R0.4 CC#CCSCCCC(=O)N 62a_100102525003_100000748600 [1,1,0,0,0,0|0,0,2]=4 4536 B10R0.4 CC(=O)CCCCCCC#N 1458a_100000070787_100009813337 [1,1,0,0,0,0|1,0,1]=4 4537 B10R0.4 CC(=O)CCCCCCCO 1458a_100000070787_100000760002 [1,1,0,0,0,0|1,0,0]=3 4538 B10R0.4 CC(=O)CCCCCCCO 1458a_100011219782_200000210301 [1,1,0,0,0,0|1,0,0]=3 4539 B10R0.4 CC(=O)CCCCNCCF 34a_100000724931_100009817362 [1,1,0,0,0,0|2,0,0]=4 4540 B10R0.4 CC(=O)CCCCNCCO 34a_100016990907_100009817362 [1,1,0,0,0,0|2,0,0]=4 4541 B10R0.4 CC(=O)CCCCOCCBr 34a_100000211926_100009817362 [1,1,0,0,0,0|2,0,0]=4 4542 B10R0.4 CC(=O)CCCCOCCN 34a_100000210304_100009817362 [1,1,0,0,0,0|2,0,0]=4 4543 B10R0.4 CC(=O)CCCCSCCF 62a_100000735457_100011217306 [1,1,0,0,0,0|2,0,0]=4 4544 B10R0.4 CC(=O)CCCCSCCF 62a_100011217306_100000735457 [1,1,0,0,0,0|2,0,0]=4 4545 B10R0.4 CC(=O)CCCCSCCO 62a_100000211926_100000735457 [1,1,0,0,0,0|2,0,0]=4 4546 B10R0.4 CC(=O)CCCCSCCO 62a_100000735457_100000211926 [1,1,0,0,0,0|2,0,0]=4 4547 B10R0.4 CC(=O)CCCNCCCF 34a_100015189416_100000685027 [1,1,0,0,0,0|2,0,0]=4 4548 B10R0.4 CC(=O)CCCOCCCBr 34a_100011217188_100000685027 [1,1,0,0,0,0|2,0,0]=4 4549 B10R0.4 CC(=O)CCCOCCCCl 34a_100000230001_100000685027 [1,1,0,0,0,0|2,0,0]=4 4550 B10R0.4 CC(=O)CCCOCCCF 34a_100000759063_100011934791 [1,1,0,0,0,0|2,0,0]=4 4551 B10R0.4 CC(=O)CCCOCCCF 34a_100000759539_100000685027 [1,1,0,0,0,0|2,0,0]=4 4552 B10R0.4 CC(=O)CCCOCCCF 7a_100000759063_100011934791 [1,1,0,0,0,0|2,0,0]=4 4553 B10R0.4 CC(=O)CCCOCCCN 34a_100000182051_100000685027 [1,1,0,0,0,0|2,0,0]=4 4554 B10R0.4 CC(=O)CCCOCCCO 34a_100000759063_100000230001 [1,1,0,0,0,0|2,0,0]=4 4555 B10R0.4 CC(=O)CCCOCCCO 7a_100000759063_100011215043 [1,1,0,0,0,0|2,0,0]=4 4556 B10R0.4 CC(=O)CCCSCCCF 62a_100011215641_100011934791 [1,1,0,0,0,0|2,0,0]=4 4557 B10R0.4 CC(=O)CCCSCCCF 62a_100011934791_100011215641 [1,1,0,0,0,0|2,0,0]=4 4558 B10R0.4 CC(=O)CCCSCCCO 62a_100011215043_100011215641 [1,1,0,0,0,0|2,0,0]=4 4559 B10R0.4 CC(=O)CCCSCCCO 62a_100011215641_100011215043 [1,1,0,0,0,0|2,0,0]=4 4560 B10R0.4 CC(=O)CCOCCCCCl 7a_100000210776_100000053229 [1,1,0,0,0,0|2,0,0]=4 4561 B10R0.4 CC(=O)CCOCCCCF 34a_100000759926_100000729493 [1,1,0,0,0,0|2,0,0]=4 4562 B10R0.4 CC(=O)CCOCCCCF 7a_100000759926_100000729493 [1,1,0,0,0,0|2,0,0]=4 4563 B10R0.4 CC(=O)CCOCCCCF 7a_100011995726_100000053229 [1,1,0,0,0,0|2,0,0]=4 4564 B10R0.4 CC(=O)CCOCCCCO 34a_100000759926_100011216708 [1,1,0,0,0,0|2,0,0]=4 4565 B10R0.4 CC(=O)CCOCCCCO 7a_100000759926_100000210776 [1,1,0,0,0,0|2,0,0]=4 4566 B10R0.4 CC(=O)CCSCCCCF 62a_100000053229_100000729493 [1,1,0,0,0,0|2,0,0]=4 4567 B10R0.4 CC(=O)CCSCCCCF 62a_100000729493_100000053229 [1,1,0,0,0,0|2,0,0]=4 4568 B10R0.4 CC(=O)CCSCCCCO 62a_100000053229_100000210776 [1,1,0,0,0,0|2,0,0]=4 4569 B10R0.4 CC(=O)CCSCCCCO 62a_100000210776_100000053229 [1,1,0,0,0,0|2,0,0]=4 4570 B10R0.4 CC(=O)COCCCCCF 34a_100000211253_100000729378 [1,1,0,0,0,0|2,0,0]=4 4571 B10R0.4 CC(=O)COCCCCCO 34a_100000211253_100000746330 [1,1,0,0,0,0|2,0,0]=4 4572 B10R0.4 CC(=O)NCCCCCCO 240690a_100000686447_100015343762 [1,1,0,0,0,0|2,0,0]=4 4573 B10R0.4 CC(=O)NCCCCCCO 527a_100000686447_100103153847 [1,1,0,0,0,0|2,0,0]=4 4574 B10R0.4 CC(=O)NCCCCCN[13CH3] 2230a_200012022750_200025704644 [1,1,0,0,0,0|2,0,0]=4 4575 B10R0.4 CC(=O)NCCCCCN[13CH3] 34a_200012022750_200025704644 [1,1,0,0,0,0|2,0,0]=4 4576 B10R0.4 CC(=O)OCCCCCS[13CH3] 62a_100000033007_200025704644 [1,1,0,0,0,0|2,0,0]=4 4577 B10R0.4 CC(=O)OCCCCCS[13CH3] 62a_200025704644_100000033007 [1,1,0,0,0,0|2,0,0]=4 4578 B10R0.4 CC/C=C\CCNCC(=O)N 2230a_100000711301_100015370543 [1,1,0,0,0,0|0,0,2]=4 4579 B10R0.4 CC/C=C\CCNCC(=O)O 269956a_100016091260_100015370543 [1,1,0,0,0,0|0,0,2]=4 4580 B10R0.4 CC/C=C\CCOCC(=O)N 34a_100016288707_100000187820 [1,1,0,0,0,0|0,0,2]=4 4581 B10R0.4 CC/C=C\CCOCC(=O)N 7a_100016288707_100000187820 [1,1,0,0,0,0|0,0,2]=4 4582 B10R0.4 CC/C=C\CCSCC(=O)N 62a_100000747473_100015370543 [1,1,0,0,0,0|0,0,2]=4 4583 B10R0.4 CC/C=C\CCSCC(=O)N 62a_100015370543_100000747473 [1,1,0,0,0,0|0,0,2]=4 4584 B10R0.4 CC/C=C\COCCC(=O)N 34a_100000757172_100103147603 [1,1,0,0,0,0|0,0,2]=4 4585 B10R0.4 CC/C=C\COCCC(=O)N 34a_100016268518_100000731001 [1,1,0,0,0,0|0,0,2]=4 4586 B10R0.4 CC/C=C\COCCC(=O)N 7a_100000757172_100103147603 [1,1,0,0,0,0|0,0,2]=4 4587 B10R0.4 CC/C=C\CSCCC(=O)N 62a_100000744528_100103147603 [1,1,0,0,0,0|0,0,2]=4 4588 B10R0.4 CC/C=C\CSCCC(=O)N 62a_100103147603_100000744528 [1,1,0,0,0,0|0,0,2]=4 4589 B10R0.4 CC=CCCCOCC(=O)N 34a_100020645299_100000187820 [1,1,0,0,0,0|0,0,2]=4 4590 B10R0.4 CC=CCNCCCC(=O)N 34a_100000739312_100000070051 [1,1,0,0,0,0|0,0,2]=4 4591 B10R0.4 CC=CCSCCCC(=O)N 62a_100000070051_100102525003 [1,1,0,0,0,0|0,0,2]=4 4592 B10R0.4 CC=CCSCCCC(=O)N 62a_100102525003_100000070051 [1,1,0,0,0,0|0,0,2]=4 4593 B10R0.4 CCC#CCCOCC(=O)N 34a_100000036655_100000187820 [1,1,0,0,0,0|0,0,2]=4 4594 B10R0.4 CCC#CCCOCC(=O)N 7a_100000036655_100000187820 [1,1,0,0,0,0|0,0,2]=4 4595 B10R0.4 CCC#CCOCCC(=O)N 34a_100000032950_100000731001 [1,1,0,0,0,0|0,0,2]=4 4596 B10R0.4 CCC#CCOCCC(=O)N 34a_100000757172_100009813939 [1,1,0,0,0,0|0,0,2]=4 4597 B10R0.4 CCC#CCOCCC(=O)N 7a_100000757172_100009813939 [1,1,0,0,0,0|0,0,2]=4 4598 B10R0.4 CCC#CCSCCC(=O)N 62a_100000744528_100009813939 [1,1,0,0,0,0|0,0,2]=4 4599 B10R0.4 CCC#CCSCCC(=O)N 62a_100009813939_100000744528 [1,1,0,0,0,0|0,0,2]=4 4600 B10R0.4 CCC/C=C/COCC(=O)N 34a_100016278788_100000187820 [1,1,0,0,0,0|0,0,2]=4 4601 B10R0.4 CCC/C=C/COCC(=O)N 7a_100016278788_100000187820 [1,1,0,0,0,0|0,0,2]=4 4602 B10R0.4 CCCC#CCOCC(=O)N 34a_100000034806_100000187820 [1,1,0,0,0,0|0,0,2]=4 4603 B10R0.4 CCCC#CCOCC(=O)N 7a_100000034806_100000187820 [1,1,0,0,0,0|0,0,2]=4 4604 B10R0.4 CCCCC/C=C/CC(=O)C 1458a_100020675968_200000210301 [1,1,0,0,0,0|1,0,1]=4 4605 B10R0.4 CCCCC/C=C/CC(=O)[13CH3] 1458a_100020675968_200025704644 [1,1,0,0,0,0|1,0,1]=4 4606 B10R0.4 CCCCCC#CCC(=O)C 1458a_100000070787_100009816472 [1,1,0,0,0,0|1,0,1]=4 4607 B10R0.4 CCCCCCC=CC(=O)C 1458a_200015324643_200000210301 [1,1,0,0,0,0|1,0,1]=4 4608 B10R0.4 CCCCCCC=CC(=O)[13CH3] 1458a_200015324643_200025704644 [1,1,0,0,0,0|1,0,1]=4 4609 B10R0.4 CCCCCCCCC(=O)C 1458a_100000070787_100000210759 [1,1,0,0,0,0|1,0,0]=3 4610 B10R0.4 CCCCCCCCC(=O)C 1458a_100000210188_200000210301 [1,1,0,0,0,0|1,0,0]=3 4611 B10R0.4 CCCCCCCCC(=O)[13CH3] 1458a_100000210188_200025704644 [1,1,0,0,0,0|1,0,0]=3 4612 B10R0.4 CCCCCCCNC(=O)C 11a_100000229938_100015343762 [1,1,0,0,0,0|1,0,0]=3 4613 B10R0.4 CCCCCCCNC(=O)C 1626a_100000229938_100015343762 [1,1,0,0,0,0|1,0,0]=3 4614 B10R0.4 CCCCCCCNC(=O)C 240690a_100000229938_100015343762 [1,1,0,0,0,0|1,0,0]=3 4615 B10R0.4 CCCCCCCNC(=O)C 527a_100000229938_100103153847 [1,1,0,0,0,0|1,0,0]=3 4616 B10R0.4 CCCCCCNCC(=O)N 2230a_100000210581_100000747473 [1,1,0,0,0,0|0,0,0]=2 4617 B10R0.4 CCCCCCNCC(=O)N 2230a_100000711301_100000210314 [1,1,0,0,0,0|0,0,0]=2 4618 B10R0.4 CCCCCCNCC(=O)O 269956a_100016091260_100000210757 [1,1,0,0,0,0|0,0,0]=2 4619 B10R0.4 CCCCCCNCC(C)O 2230a_100000210581_100011218427 [1,1,0,0,0,0|1,0,1]=4 4620 B10R0.4 CCCCCCNCC(C)O 2230a_100000210904_100000210314 [1,1,0,0,0,0|1,0,1]=4 4621 B10R0.4 CCCCCCNCC(C)O 34a_100000210904_100000210314 [1,1,0,0,0,0|1,0,1]=4 4622 B10R0.4 CCCCCCNC[C@@H](C)O 2230a_100000210581_100009817552 [1,1,0,0,0,0|1,0,1]=4 4623 B10R0.4 CCCCCCOCC(=O)C 34a_100000211253_100000210314 [1,1,0,0,0,0|1,0,0]=3 4624 B10R0.4 CCCCCCOCC(=O)N 34a_100000210259_100000187820 [1,1,0,0,0,0|0,0,0]=2 4625 B10R0.4 CCCCCCOCC(=O)N 7a_100000210259_100000187820 [1,1,0,0,0,0|0,0,0]=2 4626 B10R0.4 CCCCCCOCC(=O)[O-] 34a_100000210259_100020667443 [1,1,0,0,0,0|0,0,1]=3 4627 B10R0.4 CCCCCCOCC(C)O 34a_100000210259_100011218427 [1,1,0,0,0,0|1,0,1]=4 4628 B10R0.4 CCCCCCOCC(C)O 7a_100000210259_100011218427 [1,1,0,0,0,0|1,0,1]=4 4629 B10R0.4 CCCCCCOC[C@@H](C)N 34a_100000737577_100000210314 [1,1,0,0,0,0|1,0,1]=4 4630 B10R0.4 CCCCCCOC[C@@H](C)O 34a_100000210259_100009817552 [1,1,0,0,0,0|1,0,1]=4 4631 B10R0.4 CCCCCCOC[C@@H](C)O 7a_100000210259_100009817552 [1,1,0,0,0,0|1,0,1]=4 4632 B10R0.4 CCCCCCOC[N+](=O)[O-] 34a_100000210259_100000761209 [1,1,0,0,0,0|1,0,1]=4 4633 B10R0.4 CCCCCCSCC(=O)N 62a_100000210314_100000747473 [1,1,0,0,0,0|0,0,0]=2 4634 B10R0.4 CCCCCCSCC(=O)N 62a_100000747473_100000210757 [1,1,0,0,0,0|0,0,0]=2 4635 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100000210314_100020667443 [1,1,0,0,0,0|0,0,1]=3 4636 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100020667443_100000210757 [1,1,0,0,0,0|0,0,1]=3 4637 B10R0.4 CCCCCCSCC(C)O 62a_100000210314_100011218427 [1,1,0,0,0,0|1,0,1]=4 4638 B10R0.4 CCCCCCSCC(C)O 62a_100011218427_100000210757 [1,1,0,0,0,0|1,0,1]=4 4639 B10R0.4 CCCCCCSC[C@@H](C)O 62a_100000210314_100009817552 [1,1,0,0,0,0|1,0,1]=4 4640 B10R0.4 CCCCCCSC[C@@H](C)O 62a_100009817552_100000210757 [1,1,0,0,0,0|1,0,1]=4 4641 B10R0.4 CCCCCCSC[N+](=O)[O-] 62a_100000210314_100000761209 [1,1,0,0,0,0|1,0,1]=4 4642 B10R0.4 CCCCCNCCC(=O)N 2230a_100000209983_100000744528 [1,1,0,0,0,0|0,0,0]=2 4643 B10R0.4 CCCCCNCCC(C)O 2230a_100000209983_100012276601 [1,1,0,0,0,0|1,0,1]=4 4644 B10R0.4 CCCCCNCCC(C)O 2230a_200000755665_100000210326 [1,1,0,0,0,0|1,0,1]=4 4645 B10R0.4 CCCCCNOCC(=O)O 269956a_100000106656_100000210326 [1,1,0,0,0,0|1,0,0]=3 4646 B10R0.4 CCCCCOCCC(=O)C 34a_100000759926_100000718602 [1,1,0,0,0,0|1,0,0]=3 4647 B10R0.4 CCCCCOCCC(=O)C 7a_100000210253_100000053229 [1,1,0,0,0,0|1,0,0]=3 4648 B10R0.4 CCCCCOCCC(=O)C 7a_100000759926_100000210326 [1,1,0,0,0,0|1,0,0]=3 4649 B10R0.4 CCCCCOCCC(=O)N 34a_100000210253_100000731001 [1,1,0,0,0,0|0,0,0]=2 4650 B10R0.4 CCCCCOCCC(=O)N 34a_100000757172_100000718602 [1,1,0,0,0,0|0,0,0]=2 4651 B10R0.4 CCCCCOCCC(=O)N 7a_100000210253_100000744528 [1,1,0,0,0,0|0,0,0]=2 4652 B10R0.4 CCCCCOCCC(=O)N 7a_100000757172_100000210326 [1,1,0,0,0,0|0,0,0]=2 4653 B10R0.4 CCCCCOCCC(C)O 34a_100000210253_100012276601 [1,1,0,0,0,0|1,0,1]=4 4654 B10R0.4 CCCCCOCCC(C)O 7a_100000210253_100012276601 [1,1,0,0,0,0|1,0,1]=4 4655 B10R0.4 CCCCCOCC[C@@H](C)N 34a_100000706166_100000718602 [1,1,0,0,0,0|1,0,1]=4 4656 B10R0.4 CCCCCOCOC(=O)C 34a_100000210253_100009813279 [1,1,0,0,0,0|2,0,0]=4 4657 B10R0.4 CCCCCSCCC(=O)C 62a_100000053229_100000210326 [1,1,0,0,0,0|1,0,0]=3 4658 B10R0.4 CCCCCSCCC(=O)C 62a_100000210326_100000053229 [1,1,0,0,0,0|1,0,0]=3 4659 B10R0.4 CCCCCSCCC(=O)N 62a_100000210326_100000744528 [1,1,0,0,0,0|0,0,0]=2 4660 B10R0.4 CCCCCSCCC(=O)N 62a_100000744528_100000210326 [1,1,0,0,0,0|0,0,0]=2 4661 B10R0.4 CCCCCSCCC(C)O 62a_100000210326_100012276601 [1,1,0,0,0,0|1,0,1]=4 4662 B10R0.4 CCCCCSCCC(C)O 62a_100012276601_100000210326 [1,1,0,0,0,0|1,0,1]=4 4663 B10R0.4 CCCCCSCOC(=O)C 62a_100000076356_100000210326 [1,1,0,0,0,0|2,0,0]=4 4664 B10R0.4 CCCCCSCOC(=O)C 62a_100000210326_100000076356 [1,1,0,0,0,0|2,0,0]=4 4665 B10R0.4 CCCCNCCCC(=O)C 7a_106832991798_100011215641 [1,1,0,0,0,0|1,0,0]=3 4666 B10R0.4 CCCCNCCCC(=O)N 34a_100000739312_100000210210 [1,1,0,0,0,0|0,0,0]=2 4667 B10R0.4 CCCCNCCCC(=O)N 7a_106832991798_100102525003 [1,1,0,0,0,0|0,0,0]=2 4668 B10R0.4 CCCCNCCCC(C)O 2230a_100000102301_200000718107 [1,1,0,0,0,0|1,0,1]=4 4669 B10R0.4 CCCCNCCCC(C)O 7a_106832991798_200000718107 [1,1,0,0,0,0|1,0,1]=4 4670 B10R0.4 CCCCNCCCS(=O)C 2230a_200000753449_100000210211 [1,1,0,0,0,0|2,0,0]=4 4671 B10R0.4 CCCCNCCNC(=O)C 2230a_100000102301_100000189650 [1,1,0,0,0,0|2,0,0]=4 4672 B10R0.4 CCCCNCCNC(=O)C 2230a_100000209853_100000210211 [1,1,0,0,0,0|2,0,0]=4 4673 B10R0.4 CCCCNCCNC(=O)C 7a_106832991798_100000189650 [1,1,0,0,0,0|2,0,0]=4 4674 B10R0.4 CCCCNCCNC(=O)N 2230a_100000102301_200000034859 [1,1,0,0,0,0|1,0,0]=3 4675 B10R0.4 CCCCNCCNC(=O)N 34a_100020590234_100000210210 [1,1,0,0,0,0|1,0,0]=3 4676 B10R0.4 CCCCNCCNC(=O)N 7a_106832991798_200000034859 [1,1,0,0,0,0|1,0,0]=3 4677 B10R0.4 CCCCNCCOC(=O)C 7a_106832991798_100009814007 [1,1,0,0,0,0|2,0,0]=4 4678 B10R0.4 CCCCNCCOC(=O)N 7a_106832991798_200011214921 [1,1,0,0,0,0|1,0,0]=3 4679 B10R0.4 CCCCOCCCC(=O)C 34a_100000210227_100000685027 [1,1,0,0,0,0|1,0,0]=3 4680 B10R0.4 CCCCOCCCC(=O)C 34a_100000759063_100000210210 [1,1,0,0,0,0|1,0,0]=3 4681 B10R0.4 CCCCOCCCC(=O)C 7a_100000210227_100011215641 [1,1,0,0,0,0|1,0,0]=3 4682 B10R0.4 CCCCOCCCC(=O)C 7a_100000759063_100000210211 [1,1,0,0,0,0|1,0,0]=3 4683 B10R0.4 CCCCOCCCC(=O)N 34a_100000210227_100102525003 [1,1,0,0,0,0|0,0,0]=2 4684 B10R0.4 CCCCOCCCC(=O)N 7a_100000210227_100102525003 [1,1,0,0,0,0|0,0,0]=2 4685 B10R0.4 CCCCOCCCC(C)O 34a_100000210227_200000718107 [1,1,0,0,0,0|1,0,1]=4 4686 B10R0.4 CCCCOCCCC(C)O 7a_100000210227_200000718107 [1,1,0,0,0,0|1,0,1]=4 4687 B10R0.4 CCCCOCCC[N+](=O)[O-] 34a_200000037920_100000210210 [1,1,0,0,0,0|1,0,1]=4 4688 B10R0.4 CCCCOCCNC(=O)C 34a_100000158858_100000210210 [1,1,0,0,0,0|2,0,0]=4 4689 B10R0.4 CCCCOCCNC(=O)C 7a_100000210227_100000189650 [1,1,0,0,0,0|2,0,0]=4 4690 B10R0.4 CCCCOCCNC(=O)N 34a_100000181757_100000210210 [1,1,0,0,0,0|1,0,0]=3 4691 B10R0.4 CCCCOCCNC(=O)N 7a_100000210227_200000034859 [1,1,0,0,0,0|1,0,0]=3 4692 B10R0.4 CCCCOCCOC(=O)C 34a_100000210227_100009814007 [1,1,0,0,0,0|2,0,0]=4 4693 B10R0.4 CCCCOCCOC(=O)C 7a_100000210227_100009814007 [1,1,0,0,0,0|2,0,0]=4 4694 B10R0.4 CCCCOCCOC(=O)N 34a_100000210227_200011214921 [1,1,0,0,0,0|1,0,0]=3 4695 B10R0.4 CCCCOCCOC(=O)N 7a_100000210227_200011214921 [1,1,0,0,0,0|1,0,0]=3 4696 B10R0.4 CCCCOCCOC(=O)N 7a_100000766696_100000210211 [1,1,0,0,0,0|1,0,0]=3 4697 B10R0.4 CCCCOCNCC(=O)N 2230a_100000711301_100011995733 [1,1,0,0,0,0|1,0,0]=3 4698 B10R0.4 CCCCOCNCC(=O)O 269956a_100016091260_100011995733 [1,1,0,0,0,0|1,0,0]=3 4699 B10R0.4 CCCCOCOCC(=O)C 34a_100000211253_100011995733 [1,1,0,0,0,0|2,0,0]=4 4700 B10R0.4 CCCCOCSCC(=O)N 62a_100000747473_100011995733 [1,1,0,0,0,0|1,0,0]=3 4701 B10R0.4 CCCCOCSCC(=O)N 62a_100011995733_100000747473 [1,1,0,0,0,0|1,0,0]=3 4702 B10R0.4 CCCCOCSCC(=O)[O-] 62a_100011995733_100020667443 [1,1,0,0,0,0|1,0,1]=4 4703 B10R0.4 CCCCOCSCC(=O)[O-] 62a_100020667443_100011995733 [1,1,0,0,0,0|1,0,1]=4 4704 B10R0.4 CCCCSCCCC(=O)C 62a_100000210211_100011215641 [1,1,0,0,0,0|1,0,0]=3 4705 B10R0.4 CCCCSCCCC(=O)C 62a_100011215641_100000210210 [1,1,0,0,0,0|1,0,0]=3 4706 B10R0.4 CCCCSCCCC(=O)N 62a_100000210211_100102525003 [1,1,0,0,0,0|0,0,0]=2 4707 B10R0.4 CCCCSCCCC(=O)N 62a_100102525003_100000210210 [1,1,0,0,0,0|0,0,0]=2 4708 B10R0.4 CCCCSCCCC(C)O 62a_100000210211_200000718107 [1,1,0,0,0,0|1,0,1]=4 4709 B10R0.4 CCCCSCCCC(C)O 62a_200000718107_100000210210 [1,1,0,0,0,0|1,0,1]=4 4710 B10R0.4 CCCCSCCNC(=O)C 11a_100025743550_100015343762 [1,1,0,0,0,0|2,0,0]=4 4711 B10R0.4 CCCCSCCNC(=O)C 1626a_100025743550_100015343762 [1,1,0,0,0,0|2,0,0]=4 4712 B10R0.4 CCCCSCCNC(=O)C 240690a_100025743550_100015343762 [1,1,0,0,0,0|2,0,0]=4 4713 B10R0.4 CCCCSCCNC(=O)C 527a_100025743550_100103153847 [1,1,0,0,0,0|2,0,0]=4 4714 B10R0.4 CCCCSCCNC(=O)C 62a_100000189650_100000210210 [1,1,0,0,0,0|2,0,0]=4 4715 B10R0.4 CCCCSCCNC(=O)C 62a_100000210211_100000189650 [1,1,0,0,0,0|2,0,0]=4 4716 B10R0.4 CCCCSCCNC(=O)N 62a_100000210211_200000034859 [1,1,0,0,0,0|1,0,0]=3 4717 B10R0.4 CCCCSCCNC(=O)N 62a_200000034859_100000210210 [1,1,0,0,0,0|1,0,0]=3 4718 B10R0.4 CCCCSCCOC(=O)C 62a_100000210211_100009814007 [1,1,0,0,0,0|2,0,0]=4 4719 B10R0.4 CCCCSCCOC(=O)C 62a_100009814007_100000210210 [1,1,0,0,0,0|2,0,0]=4 4720 B10R0.4 CCCCSCCOC(=O)N 62a_100000210211_200011214921 [1,1,0,0,0,0|1,0,0]=3 4721 B10R0.4 CCCCSCCOC(=O)N 62a_200011214921_100000210210 [1,1,0,0,0,0|1,0,0]=3 4722 B10R0.4 CCCNCCCCC(=O)N 34a_100000696515_100000210303 [1,1,0,0,0,0|0,0,0]=2 4723 B10R0.4 CCCNCCCNC(=O)C 34a_100000736810_100000210303 [1,1,0,0,0,0|2,0,0]=4 4724 B10R0.4 CCCNCCOCC(=O)O 269956a_100000700818_100000210207 [1,1,0,0,0,0|1,0,0]=3 4725 B10R0.4 CCCOCCCCB(O)O 34a_100000210258_200009817182 [1,1,0,0,0,0|1,0,1]=4 4726 B10R0.4 CCCOCCCCC(=O)C 34a_100000210258_100009817362 [1,1,0,0,0,0|1,0,0]=3 4727 B10R0.4 CCCOCCCCC(=O)N 34a_100012022536_100000210303 [1,1,0,0,0,0|0,0,0]=2 4728 B10R0.4 CCCOCCCCC(=O)N 7a_100012022536_100000210303 [1,1,0,0,0,0|0,0,0]=2 4729 B10R0.4 CCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210303 [1,1,0,0,0,0|1,0,1]=4 4730 B10R0.4 CCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210303 [1,1,0,0,0,0|1,0,1]=4 4731 B10R0.4 CCCOCCCNC(=O)C 1626a_100011217757_100015343762 [1,1,0,0,0,0|2,0,0]=4 4732 B10R0.4 CCCOCCCNC(=O)C 240690a_100011217757_100015343762 [1,1,0,0,0,0|2,0,0]=4 4733 B10R0.4 CCCOCCCNC(=O)C 34a_100000752032_100000210303 [1,1,0,0,0,0|2,0,0]=4 4734 B10R0.4 CCCOCCCNC(=O)C 527a_100011217757_100103153847 [1,1,0,0,0,0|2,0,0]=4 4735 B10R0.4 CCCOCCCOC(=O)C 34a_100000210258_100000042594 [1,1,0,0,0,0|2,0,0]=4 4736 B10R0.4 CCCOCCCSC(=O)C 34a_100000210258_100000038929 [1,1,0,0,0,0|2,0,0]=4 4737 B10R0.4 CCCOCCNCC(=O)N 2230a_100000711301_100011215938 [1,1,0,0,0,0|1,0,0]=3 4738 B10R0.4 CCCOCCNCC(=O)N 2230a_100161115042_100000747473 [1,1,0,0,0,0|1,0,0]=3 4739 B10R0.4 CCCOCCNCC(=O)N 34a_100161115042_100000187820 [1,1,0,0,0,0|1,0,0]=3 4740 B10R0.4 CCCOCCNCC(=O)O 269956a_100016091260_100011215938 [1,1,0,0,0,0|1,0,0]=3 4741 B10R0.4 CCCOCCNCC(=O)[O-] 34a_100161115042_100020667443 [1,1,0,0,0,0|1,0,1]=4 4742 B10R0.4 CCCOCCOCC(=O)C 34a_100000211253_100011215938 [1,1,0,0,0,0|2,0,0]=4 4743 B10R0.4 CCCOCCOCC(=O)N 34a_100000210258_100000076697 [1,1,0,0,0,0|1,0,0]=3 4744 B10R0.4 CCCOCCOCC(=O)N 34a_100000752267_100000187820 [1,1,0,0,0,0|1,0,0]=3 4745 B10R0.4 CCCOCCOCC(=O)N 7a_100000752267_100000187820 [1,1,0,0,0,0|1,0,0]=3 4746 B10R0.4 CCCOCCOCC(=O)[O-] 34a_100000752267_100020667443 [1,1,0,0,0,0|1,0,1]=4 4747 B10R0.4 CCCOCCSCC(=O)N 62a_100000747473_100011215938 [1,1,0,0,0,0|1,0,0]=3 4748 B10R0.4 CCCOCCSCC(=O)N 62a_100011215938_100000747473 [1,1,0,0,0,0|1,0,0]=3 4749 B10R0.4 CCCOCCSCC(=O)[O-] 62a_100011215938_100020667443 [1,1,0,0,0,0|1,0,1]=4 4750 B10R0.4 CCCOCCSCC(=O)[O-] 62a_100020667443_100011215938 [1,1,0,0,0,0|1,0,1]=4 4751 B10R0.4 CCCSCCCCB(O)O 62a_100000210303_200009817182 [1,1,0,0,0,0|1,0,1]=4 4752 B10R0.4 CCCSCCCCB(O)O 62a_200009817182_100000210303 [1,1,0,0,0,0|1,0,1]=4 4753 B10R0.4 CCCSCCCCC(=O)C 62a_100000210303_100000735457 [1,1,0,0,0,0|1,0,0]=3 4754 B10R0.4 CCCSCCCCC(=O)C 62a_100000735457_100000210303 [1,1,0,0,0,0|1,0,0]=3 4755 B10R0.4 CCCSCCCOC(=O)C 62a_100000042594_100000210303 [1,1,0,0,0,0|2,0,0]=4 4756 B10R0.4 CCCSCCCOC(=O)C 62a_100000210303_100000042594 [1,1,0,0,0,0|2,0,0]=4 4757 B10R0.4 CCCSCCCSC(=O)C 62a_100000038929_100000210303 [1,1,0,0,0,0|2,0,0]=4 4758 B10R0.4 CCCSCCCSC(=O)C 62a_100000210303_100000038929 [1,1,0,0,0,0|2,0,0]=4 4759 B10R0.4 CCCSCCNCC(=O)N 2230a_100020603323_100000747473 [1,1,0,0,0,0|1,0,0]=3 4760 B10R0.4 CCCSCCOCC(=O)N 34a_200000230433_100000187820 [1,1,0,0,0,0|1,0,0]=3 4761 B10R0.4 CCCSCCOCC(=O)N 62a_100000076697_100000210303 [1,1,0,0,0,0|1,0,0]=3 4762 B10R0.4 CCCSCCOCC(=O)N 62a_100000210303_100000076697 [1,1,0,0,0,0|1,0,0]=3 4763 B10R0.4 CCCSCCOCC(=O)N 7a_200000230433_100000187820 [1,1,0,0,0,0|1,0,0]=3 4764 B10R0.4 CCCSCCOCC(=O)[O-] 34a_200000230433_100020667443 [1,1,0,0,0,0|1,0,1]=4 4765 B10R0.4 CCNCCCCCB(O)O 2230a_100015525214_200009817188 [1,1,0,0,0,0|1,0,1]=4 4766 B10R0.4 CCNCCCCCC(=O)N 2230a_100015525214_100009817443 [1,1,0,0,0,0|0,0,0]=2 4767 B10R0.4 CCNCCCCNC(=O)C 2230a_200011368371_100000210202 [1,1,0,0,0,0|2,0,0]=4 4768 B10R0.4 CCNCCCCNC(=O)C 34a_200011368371_100000210202 [1,1,0,0,0,0|2,0,0]=4 4769 B10R0.4 CCNCCCCSC(=O)C 2230a_100015525214_200010402107 [1,1,0,0,0,0|2,0,0]=4 4770 B10R0.4 CCOCCCCCB(O)O 34a_100121572206_200009817188 [1,1,0,0,0,0|1,0,1]=4 4771 B10R0.4 CCOCCCCCC(=O)N 34a_100000123541_100000210202 [1,1,0,0,0,0|0,0,0]=2 4772 B10R0.4 CCOCCCCCC(=O)N 34a_100121572206_100009817443 [1,1,0,0,0,0|0,0,0]=2 4773 B10R0.4 CCOCCCCCC(=O)N 7a_100000123541_100000210202 [1,1,0,0,0,0|0,0,0]=2 4774 B10R0.4 CCOCCCCCC(=O)[O-] 7a_100102619762_100000210202 [1,1,0,0,0,0|0,0,1]=3 4775 B10R0.4 CCOCCCCOC(=O)C 34a_100000073216_100000210202 [1,1,0,0,0,0|2,0,0]=4 4776 B10R0.4 CCOCCCCOC(=O)C 34a_100121572206_100000033659 [1,1,0,0,0,0|2,0,0]=4 4777 B10R0.4 CCOCCCCOC(=O)C 7a_100000073216_100000210202 [1,1,0,0,0,0|2,0,0]=4 4778 B10R0.4 CCOCCCCSC(=O)C 34a_100121572206_200010402107 [1,1,0,0,0,0|2,0,0]=4 4779 B10R0.4 CCOCCCNCC(=O)N 2230a_100000210961_100000747473 [1,1,0,0,0,0|1,0,0]=3 4780 B10R0.4 CCOCCCNCC(=O)N 2230a_100000711301_100012232248 [1,1,0,0,0,0|1,0,0]=3 4781 B10R0.4 CCOCCCNCC(=O)N 34a_100000210961_100000187820 [1,1,0,0,0,0|1,0,0]=3 4782 B10R0.4 CCOCCCNCC(=O)O 269956a_100016091260_100012232248 [1,1,0,0,0,0|1,0,0]=3 4783 B10R0.4 CCOCCCNCC(=O)[O-] 34a_100000210961_100020667443 [1,1,0,0,0,0|1,0,1]=4 4784 B10R0.4 CCOCCCOCC(=O)C 34a_100000211253_100012232248 [1,1,0,0,0,0|2,0,0]=4 4785 B10R0.4 CCOCCCOCC(=O)N 34a_100000757476_100000187820 [1,1,0,0,0,0|1,0,0]=3 4786 B10R0.4 CCOCCCOCC(=O)N 7a_100000757476_100000187820 [1,1,0,0,0,0|1,0,0]=3 4787 B10R0.4 CCOCCCOCC(=O)[O-] 34a_100000757476_100020667443 [1,1,0,0,0,0|1,0,1]=4 4788 B10R0.4 CCOCCCSCC(=O)N 62a_100000747473_100012232248 [1,1,0,0,0,0|1,0,0]=3 4789 B10R0.4 CCOCCCSCC(=O)N 62a_100012232248_100000747473 [1,1,0,0,0,0|1,0,0]=3 4790 B10R0.4 CCOCCCSCC(=O)[O-] 62a_100012232248_100020667443 [1,1,0,0,0,0|1,0,1]=4 4791 B10R0.4 CCOCCCSCC(=O)[O-] 62a_100020667443_100012232248 [1,1,0,0,0,0|1,0,1]=4 4792 B10R0.4 CCOCCNCCC(=O)N 2230a_102516460346_100000744528 [1,1,0,0,0,0|1,0,0]=3 4793 B10R0.4 CCOCCNCCC(=O)N 34a_102516460346_100000731001 [1,1,0,0,0,0|1,0,0]=3 4794 B10R0.4 CCOCCNOCC(=O)O 269956a_100000106656_100000210147 [1,1,0,0,0,0|2,0,0]=4 4795 B10R0.4 CCOCCOCCC(=O)C 1458a_100000070787_100011211534 [1,1,0,0,0,0|2,0,0]=4 4796 B10R0.4 CCOCCOCCC(=O)C 34a_100000759926_100000210147 [1,1,0,0,0,0|2,0,0]=4 4797 B10R0.4 CCOCCOCCC(=O)C 7a_100000210136_100000053229 [1,1,0,0,0,0|2,0,0]=4 4798 B10R0.4 CCOCCOCCC(=O)C 7a_100000759926_100011215890 [1,1,0,0,0,0|2,0,0]=4 4799 B10R0.4 CCOCCOCCC(=O)N 34a_100000210136_100000731001 [1,1,0,0,0,0|1,0,0]=3 4800 B10R0.4 CCOCCOCCC(=O)N 34a_100000757172_100000210147 [1,1,0,0,0,0|1,0,0]=3 4801 B10R0.4 CCOCCOCCC(=O)N 7a_100000210136_100000744528 [1,1,0,0,0,0|1,0,0]=3 4802 B10R0.4 CCOCCOCCC(=O)N 7a_100000757172_100011215890 [1,1,0,0,0,0|1,0,0]=3 4803 B10R0.4 CCOCCSCCC(=O)C 62a_100000053229_100011215890 [1,1,0,0,0,0|2,0,0]=4 4804 B10R0.4 CCOCCSCCC(=O)C 62a_100000210147_100000053229 [1,1,0,0,0,0|2,0,0]=4 4805 B10R0.4 CCOCCSCCC(=O)N 62a_100000210147_100000744528 [1,1,0,0,0,0|1,0,0]=3 4806 B10R0.4 CCOCCSCCC(=O)N 62a_100000744528_100011215890 [1,1,0,0,0,0|1,0,0]=3 4807 B10R0.4 CCOCSCCCC(=O)C 62a_100000739092_100011215641 [1,1,0,0,0,0|2,0,0]=4 4808 B10R0.4 CCOCSCCCC(=O)C 62a_100011215641_100000739092 [1,1,0,0,0,0|2,0,0]=4 4809 B10R0.4 CCOCSCCCC(=O)N 62a_100000739092_100102525003 [1,1,0,0,0,0|1,0,0]=3 4810 B10R0.4 CCOCSCCCC(=O)N 62a_100102525003_100000739092 [1,1,0,0,0,0|1,0,0]=3 4811 B10R0.4 CCOCSCCNC(=O)N 62a_100000739092_200000034859 [1,1,0,0,0,0|2,0,0]=4 4812 B10R0.4 CCOCSCCNC(=O)N 62a_200000034859_100000739092 [1,1,0,0,0,0|2,0,0]=4 4813 B10R0.4 CCOCSCCOC(=O)N 62a_100000739092_200011214921 [1,1,0,0,0,0|2,0,0]=4 4814 B10R0.4 CCOCSCCOC(=O)N 62a_200011214921_100000739092 [1,1,0,0,0,0|2,0,0]=4 4815 B10R0.4 CCSCCCCCB(O)O 62a_100000210202_200009817188 [1,1,0,0,0,0|1,0,1]=4 4816 B10R0.4 CCSCCCCCB(O)O 62a_200009817188_100000210202 [1,1,0,0,0,0|1,0,1]=4 4817 B10R0.4 CCSCCCCCC(=O)N 62a_100000210202_100009817443 [1,1,0,0,0,0|0,0,0]=2 4818 B10R0.4 CCSCCCCCC(=O)N 62a_100009817443_100000210202 [1,1,0,0,0,0|0,0,0]=2 4819 B10R0.4 CCSCCCCOC(=O)C 62a_100000033659_100000210202 [1,1,0,0,0,0|2,0,0]=4 4820 B10R0.4 CCSCCCCOC(=O)C 62a_100000210202_100000033659 [1,1,0,0,0,0|2,0,0]=4 4821 B10R0.4 CCSCCCCSC(=O)C 62a_100000210202_200010402107 [1,1,0,0,0,0|2,0,0]=4 4822 B10R0.4 CCSCCCCSC(=O)C 62a_200010402107_100000210202 [1,1,0,0,0,0|2,0,0]=4 4823 B10R0.4 CCSCCCOCC(=O)N 34a_100011216438_100000187820 [1,1,0,0,0,0|1,0,0]=3 4824 B10R0.4 CCSCCCOCC(=O)N 7a_100011216438_100000187820 [1,1,0,0,0,0|1,0,0]=3 4825 B10R0.4 CCSCCCOCC(=O)[O-] 34a_100011216438_100020667443 [1,1,0,0,0,0|1,0,1]=4 4826 B10R0.4 CCSCCNCCC(=O)N 2230a_100000106463_100000744528 [1,1,0,0,0,0|1,0,0]=3 4827 B10R0.4 CCSCCNOCC(=O)O 269956a_100000106656_100000757381 [1,1,0,0,0,0|2,0,0]=4 4828 B10R0.4 CCSCCOCCC(=O)C 34a_100000759926_100000757381 [1,1,0,0,0,0|2,0,0]=4 4829 B10R0.4 CCSCCOCCC(=O)C 7a_100000212035_100000053229 [1,1,0,0,0,0|2,0,0]=4 4830 B10R0.4 CCSCCOCCC(=O)C 7a_100000759926_100000757381 [1,1,0,0,0,0|2,0,0]=4 4831 B10R0.4 CCSCCOCCC(=O)N 34a_100000212035_100000731001 [1,1,0,0,0,0|1,0,0]=3 4832 B10R0.4 CCSCCOCCC(=O)N 34a_100000757172_100000757381 [1,1,0,0,0,0|1,0,0]=3 4833 B10R0.4 CCSCCOCCC(=O)N 7a_100000212035_100000744528 [1,1,0,0,0,0|1,0,0]=3 4834 B10R0.4 CCSCCOCCC(=O)N 7a_100000757172_100000757381 [1,1,0,0,0,0|1,0,0]=3 4835 B10R0.4 CCSCCSCCC(=O)C 62a_100000053229_100000757381 [1,1,0,0,0,0|2,0,0]=4 4836 B10R0.4 CCSCCSCCC(=O)C 62a_100000757381_100000053229 [1,1,0,0,0,0|2,0,0]=4 4837 B10R0.4 CCSCCSCCC(=O)N 62a_100000744528_100000757381 [1,1,0,0,0,0|1,0,0]=3 4838 B10R0.4 CCSCCSCCC(=O)N 62a_100000757381_100000744528 [1,1,0,0,0,0|1,0,0]=3 4839 B10R0.4 CNCCCCCCB(O)O 2230a_106832991635_100009817187 [1,1,0,0,0,0|1,0,1]=4 4840 B10R0.4 CNCCCCCCB(O)O 34a_100102657272_100009817187 [1,1,0,0,0,0|1,0,1]=4 4841 B10R0.4 CNCCCCCCB(O)O 7a_106832991635_100009817187 [1,1,0,0,0,0|1,0,1]=4 4842 B10R0.4 CNCCCCCNC(=O)C 2230a_200012022750_200000210301 [1,1,0,0,0,0|2,0,0]=4 4843 B10R0.4 CNCCCCCNC(=O)C 34a_200012022750_200000210301 [1,1,0,0,0,0|2,0,0]=4 4844 B10R0.4 CNCCCCCOC(=O)C 2230a_106832991635_100009813381 [1,1,0,0,0,0|2,0,0]=4 4845 B10R0.4 CNCCCCCOC(=O)C 34a_100102657272_100000033007 [1,1,0,0,0,0|2,0,0]=4 4846 B10R0.4 CNCCCCCOC(=O)C 7a_106832991635_100000033007 [1,1,0,0,0,0|2,0,0]=4 4847 B10R0.4 CNCCCOCCC(=O)N 34a_100000213112_100000731001 [1,1,0,0,0,0|1,0,0]=3 4848 B10R0.4 COCCCCCCB(O)O 34a_100138415774_100009817187 [1,1,0,0,0,0|1,0,1]=4 4849 B10R0.4 COCCCCCCC(=O)C 1458a_100000070787_100011998445 [1,1,0,0,0,0|1,0,0]=3 4850 B10R0.4 COCCCCCNC(=O)C 11a_100000747528_100015343762 [1,1,0,0,0,0|2,0,0]=4 4851 B10R0.4 COCCCCCNC(=O)C 1626a_100000747528_100015343762 [1,1,0,0,0,0|2,0,0]=4 4852 B10R0.4 COCCCCCNC(=O)C 240690a_100000747528_100015343762 [1,1,0,0,0,0|2,0,0]=4 4853 B10R0.4 COCCCCCNC(=O)C 527a_100000747528_100103153847 [1,1,0,0,0,0|2,0,0]=4 4854 B10R0.4 COCCCCCOC(=O)C 34a_100138415774_100000033007 [1,1,0,0,0,0|2,0,0]=4 4855 B10R0.4 COCCCCNCC(=O)N 2230a_100000711301_100000730899 [1,1,0,0,0,0|1,0,0]=3 4856 B10R0.4 COCCCCNCC(=O)O 269956a_100016091260_100000730899 [1,1,0,0,0,0|1,0,0]=3 4857 B10R0.4 COCCCCOCC(=O)C 34a_100000211253_100000755781 [1,1,0,0,0,0|2,0,0]=4 4858 B10R0.4 COCCCCOCC(=O)N 34a_100000740925_100000187820 [1,1,0,0,0,0|1,0,0]=3 4859 B10R0.4 COCCCCOCC(=O)[O-] 34a_100000740925_100020667443 [1,1,0,0,0,0|1,0,1]=4 4860 B10R0.4 COCCCCSCC(=O)N 62a_100000730899_100000747473 [1,1,0,0,0,0|1,0,0]=3 4861 B10R0.4 COCCCCSCC(=O)N 62a_100000747473_100000730899 [1,1,0,0,0,0|1,0,0]=3 4862 B10R0.4 COCCCCSCC(=O)[O-] 62a_100000730899_100020667443 [1,1,0,0,0,0|1,0,1]=4 4863 B10R0.4 COCCCCSCC(=O)[O-] 62a_100020667443_100000730899 [1,1,0,0,0,0|1,0,1]=4 4864 B10R0.4 COCCCNCCC(=O)N 34a_100150723488_100000731001 [1,1,0,0,0,0|1,0,0]=3 4865 B10R0.4 COCCCNOCC(=O)O 269956a_100000106656_100000740836 [1,1,0,0,0,0|2,0,0]=4 4866 B10R0.4 COCCCOCCC(=O)C 34a_100000759926_100000740836 [1,1,0,0,0,0|2,0,0]=4 4867 B10R0.4 COCCCOCCC(=O)C 7a_100000759926_100000740836 [1,1,0,0,0,0|2,0,0]=4 4868 B10R0.4 COCCCOCCC(=O)N 34a_100000740835_100000731001 [1,1,0,0,0,0|1,0,0]=3 4869 B10R0.4 COCCCOCCC(=O)N 34a_100000757172_100000740836 [1,1,0,0,0,0|1,0,0]=3 4870 B10R0.4 COCCCOCCC(=O)N 7a_100000757172_100000740836 [1,1,0,0,0,0|1,0,0]=3 4871 B10R0.4 COCCCSCCC(=O)C 62a_100000053229_100000709357 [1,1,0,0,0,0|2,0,0]=4 4872 B10R0.4 COCCCSCCC(=O)C 62a_100000709357_100000053229 [1,1,0,0,0,0|2,0,0]=4 4873 B10R0.4 COCCCSCCC(=O)N 62a_100000709357_100000744528 [1,1,0,0,0,0|1,0,0]=3 4874 B10R0.4 COCCCSCCC(=O)N 62a_100000744528_100000709357 [1,1,0,0,0,0|1,0,0]=3 4875 B10R0.4 COCCNCCCC(=O)N 34a_100000739312_100011201679 [1,1,0,0,0,0|1,0,0]=3 4876 B10R0.4 COCCNCCNC(=O)N 2230a_100000209980_200000034859 [1,1,0,0,0,0|2,0,0]=4 4877 B10R0.4 COCCNCCNC(=O)N 34a_100020590234_100011201679 [1,1,0,0,0,0|2,0,0]=4 4878 B10R0.4 COCCOCCCC(=O)C 1458a_100000070787_100011216529 [1,1,0,0,0,0|2,0,0]=4 4879 B10R0.4 COCCOCCCC(=O)C 34a_100000210237_100000685027 [1,1,0,0,0,0|2,0,0]=4 4880 B10R0.4 COCCOCCCC(=O)C 34a_100000759063_100011201679 [1,1,0,0,0,0|2,0,0]=4 4881 B10R0.4 COCCOCCCC(=O)C 7a_100000759063_100000233755 [1,1,0,0,0,0|2,0,0]=4 4882 B10R0.4 COCCOCCCC(=O)N 34a_100000210237_100102525003 [1,1,0,0,0,0|1,0,0]=3 4883 B10R0.4 COCCOCCNC(=O)N 34a_100000181757_100011201679 [1,1,0,0,0,0|2,0,0]=4 4884 B10R0.4 COCCOCCOC(=O)N 34a_100000210237_200011214921 [1,1,0,0,0,0|2,0,0]=4 4885 B10R0.4 COCCOCCOC(=O)N 7a_100000766696_100000233755 [1,1,0,0,0,0|2,0,0]=4 4886 B10R0.4 COCCOCNCC(=O)N 2230a_100000711301_100000231047 [1,1,0,0,0,0|2,0,0]=4 4887 B10R0.4 COCCOCNCC(=O)O 269956a_100016091260_100000231047 [1,1,0,0,0,0|2,0,0]=4 4888 B10R0.4 COCCOCSCC(=O)N 62a_100000231047_100000747473 [1,1,0,0,0,0|2,0,0]=4 4889 B10R0.4 COCCOCSCC(=O)N 62a_100000747473_100000231047 [1,1,0,0,0,0|2,0,0]=4 4890 B10R0.4 COCCSCCCC(=O)C 62a_100000233755_100011215641 [1,1,0,0,0,0|2,0,0]=4 4891 B10R0.4 COCCSCCCC(=O)C 62a_100011215641_100000233755 [1,1,0,0,0,0|2,0,0]=4 4892 B10R0.4 COCCSCCCC(=O)N 62a_100000233755_100102525003 [1,1,0,0,0,0|1,0,0]=3 4893 B10R0.4 COCCSCCCC(=O)N 62a_100102525003_100000233755 [1,1,0,0,0,0|1,0,0]=3 4894 B10R0.4 COCCSCCNC(=O)N 62a_100000233755_200000034859 [1,1,0,0,0,0|2,0,0]=4 4895 B10R0.4 COCCSCCNC(=O)N 62a_200000034859_100000233755 [1,1,0,0,0,0|2,0,0]=4 4896 B10R0.4 COCCSCCOC(=O)N 62a_100000233755_200011214921 [1,1,0,0,0,0|2,0,0]=4 4897 B10R0.4 COCCSCCOC(=O)N 62a_200011214921_100000233755 [1,1,0,0,0,0|2,0,0]=4 4898 B10R0.4 COCNCCOCC(=O)O 269956a_100000700818_100000766300 [1,1,0,0,0,0|2,0,0]=4 4899 B10R0.4 COCSCCCCC(=O)C 62a_100000735457_100000766300 [1,1,0,0,0,0|2,0,0]=4 4900 B10R0.4 COCSCCCCC(=O)C 62a_100000766300_100000735457 [1,1,0,0,0,0|2,0,0]=4 4901 B10R0.4 COCSCCOCC(=O)N 62a_100000076697_100000766300 [1,1,0,0,0,0|2,0,0]=4 4902 B10R0.4 COCSCCOCC(=O)N 62a_100000766300_100000076697 [1,1,0,0,0,0|2,0,0]=4 4903 B10R0.4 CSCCCCCCB(O)O 62a_100009817187_200000210301 [1,1,0,0,0,0|1,0,1]=4 4904 B10R0.4 CSCCCCCCB(O)O 62a_200000210301_100009817187 [1,1,0,0,0,0|1,0,1]=4 4905 B10R0.4 CSCCCCCOC(=O)C 62a_100000033007_200000210301 [1,1,0,0,0,0|2,0,0]=4 4906 B10R0.4 CSCCCCCOC(=O)C 62a_200000210301_100000033007 [1,1,0,0,0,0|2,0,0]=4 4907 B10R0.4 CSCCCCOCC(=O)N 34a_100011217163_100000187820 [1,1,0,0,0,0|1,0,0]=3 4908 B10R0.4 CSCCCCOCC(=O)N 7a_100011217163_100000187820 [1,1,0,0,0,0|1,0,0]=3 4909 B10R0.4 CSCCCCOCC(=O)[O-] 34a_100011217163_100020667443 [1,1,0,0,0,0|1,0,1]=4 4910 B10R0.4 CSCCCNCCC(=O)N 2230a_100000749238_100000744528 [1,1,0,0,0,0|1,0,0]=3 4911 B10R0.4 CSCCCOCCC(=O)C 7a_100000690336_100000053229 [1,1,0,0,0,0|2,0,0]=4 4912 B10R0.4 CSCCCOCCC(=O)N 34a_100000690336_100000731001 [1,1,0,0,0,0|1,0,0]=3 4913 B10R0.4 CSCCCOCCC(=O)N 7a_100000690336_100000744528 [1,1,0,0,0,0|1,0,0]=3 4914 B10R0.4 CSCCNCCCC(=O)N 34a_100000739312_100000212216 [1,1,0,0,0,0|1,0,0]=3 4915 B10R0.4 CSCCNCCNC(=O)N 2230a_100020590264_200000034859 [1,1,0,0,0,0|2,0,0]=4 4916 B10R0.4 CSCCNCCNC(=O)N 34a_100020590234_100000212216 [1,1,0,0,0,0|2,0,0]=4 4917 B10R0.4 CSCCOCCCC(=O)C 34a_100000230434_100000685027 [1,1,0,0,0,0|2,0,0]=4 4918 B10R0.4 CSCCOCCCC(=O)C 34a_100000759063_100000212216 [1,1,0,0,0,0|2,0,0]=4 4919 B10R0.4 CSCCOCCCC(=O)C 7a_100000230434_100011215641 [1,1,0,0,0,0|2,0,0]=4 4920 B10R0.4 CSCCOCCCC(=O)C 7a_100000759063_100000212216 [1,1,0,0,0,0|2,0,0]=4 4921 B10R0.4 CSCCOCCCC(=O)N 34a_100000230434_100102525003 [1,1,0,0,0,0|1,0,0]=3 4922 B10R0.4 CSCCOCCCC(=O)N 7a_100000230434_100102525003 [1,1,0,0,0,0|1,0,0]=3 4923 B10R0.4 CSCCOCCNC(=O)N 34a_100000181757_100000212216 [1,1,0,0,0,0|2,0,0]=4 4924 B10R0.4 CSCCOCCNC(=O)N 7a_100000230434_200000034859 [1,1,0,0,0,0|2,0,0]=4 4925 B10R0.4 CSCCOCCOC(=O)N 34a_100000230434_200011214921 [1,1,0,0,0,0|2,0,0]=4 4926 B10R0.4 CSCCOCCOC(=O)N 7a_100000230434_200011214921 [1,1,0,0,0,0|2,0,0]=4 4927 B10R0.4 CSCCOCCOC(=O)N 7a_100000766696_100000212216 [1,1,0,0,0,0|2,0,0]=4 4928 B10R0.4 CSCCSCCCC(=O)C 62a_100000212216_100011215641 [1,1,0,0,0,0|2,0,0]=4 4929 B10R0.4 CSCCSCCCC(=O)C 62a_100011215641_100000751147 [1,1,0,0,0,0|2,0,0]=4 4930 B10R0.4 CSCCSCCCC(=O)N 62a_100000212216_100102525003 [1,1,0,0,0,0|1,0,0]=3 4931 B10R0.4 CSCCSCCCC(=O)N 62a_100102525003_100000751147 [1,1,0,0,0,0|1,0,0]=3 4932 B10R0.4 CSCCSCCNC(=O)N 62a_100000212216_200000034859 [1,1,0,0,0,0|2,0,0]=4 4933 B10R0.4 CSCCSCCNC(=O)N 62a_200000034859_100000751147 [1,1,0,0,0,0|2,0,0]=4 4934 B10R0.4 CSCCSCCOC(=O)N 62a_100000212216_200011214921 [1,1,0,0,0,0|2,0,0]=4 4935 B10R0.4 CSCCSCCOC(=O)N 62a_200011214921_100000751147 [1,1,0,0,0,0|2,0,0]=4 4936 B10R0.4 CSCNCCCCC(=O)N 34a_100000696515_100011218213 [1,1,0,0,0,0|1,0,0]=3 4937 B10R0.4 CSCNCCOCC(=O)O 269956a_100000700818_100011218213 [1,1,0,0,0,0|2,0,0]=4 4938 B10R0.4 CSCOCCCCC(=O)N 34a_100012022536_100011218213 [1,1,0,0,0,0|1,0,0]=3 4939 B10R0.4 CSCSCCCCC(=O)C 62a_100000735457_100011218213 [1,1,0,0,0,0|2,0,0]=4 4940 B10R0.4 CSCSCCCCC(=O)C 62a_100011218213_100000735457 [1,1,0,0,0,0|2,0,0]=4 4941 B10R0.4 CSCSCCOCC(=O)N 62a_100000076697_100011218213 [1,1,0,0,0,0|2,0,0]=4 4942 B10R0.4 CSCSCCOCC(=O)N 62a_100011218213_100000076697 [1,1,0,0,0,0|2,0,0]=4 4943 B10R0.4 N#CCCCCNCC(=O)N 2230a_100000711301_100000211819 [1,1,0,0,0,0|1,0,1]=4 4944 B10R0.4 N#CCCCCNCC(=O)O 269956a_100016091260_100011219923 [1,1,0,0,0,0|1,0,1]=4 4945 B10R0.4 N#CCCCCSCC(=O)N 62a_100000747473_100000211819 [1,1,0,0,0,0|1,0,1]=4 4946 B10R0.4 N#CCCCCSCC(=O)N 62a_100011219923_100000747473 [1,1,0,0,0,0|1,0,1]=4 4947 B10R0.4 N#CCCCOCCC(=O)N 7a_100000757172_100000687738 [1,1,0,0,0,0|1,0,1]=4 4948 B10R0.4 N#CCCCSCCC(=O)N 62a_100000687738_100000744528 [1,1,0,0,0,0|1,0,1]=4 4949 B10R0.4 N#CCCCSCCC(=O)N 62a_100000744528_100000687738 [1,1,0,0,0,0|1,0,1]=4 4950 B10R0.4 N#CCCSCCCC(=O)N 62a_100011215226_100102525003 [1,1,0,0,0,0|1,0,1]=4 4951 B10R0.4 N#CCCSCCCC(=O)N 62a_100102525003_100011215226 [1,1,0,0,0,0|1,0,1]=4 4952 B10R0.4 N#CCOCCCCC(=O)N 7a_100012022536_100011215382 [1,1,0,0,0,0|1,0,1]=4 4953 B10R0.4 NC(=O)CCCCCOCF 34a_100000123541_100015361967 [1,1,0,0,0,0|1,0,0]=3 4954 B10R0.4 NC(=O)CCCCCOCF 7a_100000123541_100015361967 [1,1,0,0,0,0|1,0,0]=3 4955 B10R0.4 NC(=O)CCCCCSCF 62a_100009817443_100015361967 [1,1,0,0,0,0|1,0,0]=3 4956 B10R0.4 NC(=O)CCCCCSCF 62a_100015361967_100009817443 [1,1,0,0,0,0|1,0,0]=3 4957 B10R0.4 NC(=O)CCCCNCC=O 34a_100000696515_200009817547 [1,1,0,0,0,0|1,0,1]=4 4958 B10R0.4 NC(=O)CCCCNCCF 34a_100000696515_100011217306 [1,1,0,0,0,0|1,0,0]=3 4959 B10R0.4 NC(=O)CCCCNCCO 34a_100000696515_100000211926 [1,1,0,0,0,0|1,0,0]=3 4960 B10R0.4 NC(=O)CCCCOCC=O 34a_100012022536_200009817547 [1,1,0,0,0,0|1,0,1]=4 4961 B10R0.4 NC(=O)CCCCOCC=O 7a_100012022536_200015260668 [1,1,0,0,0,0|1,0,1]=4 4962 B10R0.4 NC(=O)CCCCOCCF 34a_100012022536_100011217306 [1,1,0,0,0,0|1,0,0]=3 4963 B10R0.4 NC(=O)CCCCOCCF 7a_100012022536_100011217306 [1,1,0,0,0,0|1,0,0]=3 4964 B10R0.4 NC(=O)CCCCOCCO 34a_100012022536_100000211926 [1,1,0,0,0,0|1,0,0]=3 4965 B10R0.4 NC(=O)CCCCOCCO 7a_100012022536_100000211926 [1,1,0,0,0,0|1,0,0]=3 4966 B10R0.4 NC(=O)CCCNCCCF 34a_100000739312_100011934791 [1,1,0,0,0,0|1,0,0]=3 4967 B10R0.4 NC(=O)CCCNCCCF 34a_100015189416_100102525003 [1,1,0,0,0,0|1,0,0]=3 4968 B10R0.4 NC(=O)CCCNCCCO 34a_100000739312_100000230001 [1,1,0,0,0,0|1,0,0]=3 4969 B10R0.4 NC(=O)CCCOCCCBr 34a_100011217188_100102525003 [1,1,0,0,0,0|1,0,0]=3 4970 B10R0.4 NC(=O)CCCOCCCCl 34a_100000230001_100102525003 [1,1,0,0,0,0|1,0,0]=3 4971 B10R0.4 NC(=O)CCCOCCCF 34a_100000759539_100102525003 [1,1,0,0,0,0|1,0,0]=3 4972 B10R0.4 NC(=O)CCCSCCCF 62a_100011934791_100102525003 [1,1,0,0,0,0|1,0,0]=3 4973 B10R0.4 NC(=O)CCCSCCCF 62a_100102525003_100011934791 [1,1,0,0,0,0|1,0,0]=3 4974 B10R0.4 NC(=O)CCCSCCCO 62a_100011215043_100102525003 [1,1,0,0,0,0|1,0,0]=3 4975 B10R0.4 NC(=O)CCCSCCCO 62a_100102525003_100011215043 [1,1,0,0,0,0|1,0,0]=3 4976 B10R0.4 NC(=O)CCNCCCCO 2230a_100000750430_100000744528 [1,1,0,0,0,0|1,0,0]=3 4977 B10R0.4 NC(=O)CCNCCCCO 34a_100000750430_100000731001 [1,1,0,0,0,0|1,0,0]=3 4978 B10R0.4 NC(=O)CCOCCCC=O 7a_100000757172_200011292268 [1,1,0,0,0,0|1,0,1]=4 4979 B10R0.4 NC(=O)CCOCCCCBr 34a_100011216708_100000731001 [1,1,0,0,0,0|1,0,0]=3 4980 B10R0.4 NC(=O)CCOCCCCCl 34a_100000210776_100000731001 [1,1,0,0,0,0|1,0,0]=3 4981 B10R0.4 NC(=O)CCOCCCCCl 7a_100000210776_100000744528 [1,1,0,0,0,0|1,0,0]=3 4982 B10R0.4 NC(=O)CCOCCCCF 34a_100000757172_100000729493 [1,1,0,0,0,0|1,0,0]=3 4983 B10R0.4 NC(=O)CCOCCCCF 34a_100011995726_100000731001 [1,1,0,0,0,0|1,0,0]=3 4984 B10R0.4 NC(=O)CCOCCCCF 7a_100000757172_100000729493 [1,1,0,0,0,0|1,0,0]=3 4985 B10R0.4 NC(=O)CCOCCCCF 7a_100011995726_100000744528 [1,1,0,0,0,0|1,0,0]=3 4986 B10R0.4 NC(=O)CCOCCCCI 34a_200012148704_100000731001 [1,1,0,0,0,0|1,0,0]=3 4987 B10R0.4 NC(=O)CCOCCCCO 34a_100000757172_100011216708 [1,1,0,0,0,0|1,0,0]=3 4988 B10R0.4 NC(=O)CCOCCCCO 7a_100000757172_100000210776 [1,1,0,0,0,0|1,0,0]=3 4989 B10R0.4 NC(=O)CCSCCCC=O 62a_100000744528_200011292268 [1,1,0,0,0,0|1,0,1]=4 4990 B10R0.4 NC(=O)CCSCCCC=O 62a_200011292268_100000744528 [1,1,0,0,0,0|1,0,1]=4 4991 B10R0.4 NC(=O)CCSCCCCF 62a_100000729493_100000744528 [1,1,0,0,0,0|1,0,0]=3 4992 B10R0.4 NC(=O)CCSCCCCF 62a_100000744528_100000729493 [1,1,0,0,0,0|1,0,0]=3 4993 B10R0.4 NC(=O)CCSCCCCO 62a_100000210776_100000744528 [1,1,0,0,0,0|1,0,0]=3 4994 B10R0.4 NC(=O)CCSCCCCO 62a_100000744528_100000210776 [1,1,0,0,0,0|1,0,0]=3 4995 B10R0.4 NC(=O)CNCCCCC=O 2230a_100000711301_100000139335 [1,1,0,0,0,0|1,0,1]=4 4996 B10R0.4 NC(=O)CNCCCCCF 2230a_100000711301_100000729378 [1,1,0,0,0,0|1,0,0]=3 4997 B10R0.4 NC(=O)CNCCCCCO 2230a_100000711301_100000746330 [1,1,0,0,0,0|1,0,0]=3 4998 B10R0.4 NC(=O)CNCCCCCO 2230a_100000762737_100000747473 [1,1,0,0,0,0|1,0,0]=3 4999 B10R0.4 NC(=O)CNCCCCCO 34a_100000762737_100000187820 [1,1,0,0,0,0|1,0,0]=3 5000 B10R0.4 NC(=O)CNCCOCCO 2230a_100000211614_100000747473 [1,1,0,0,0,0|2,0,0]=4 5001 B10R0.4 NC(=O)CNCCOCCO 2230a_100000711301_100011215305 [1,1,0,0,0,0|2,0,0]=4 5002 B10R0.4 NC(=O)CNCCOCCO 34a_100000211614_100000187820 [1,1,0,0,0,0|2,0,0]=4 5003 B10R0.4 NC(=O)CNCCSCCO 2230a_100011219999_100000747473 [1,1,0,0,0,0|2,0,0]=4 5004 B10R0.4 NC(=O)COCCCCCBr 34a_100000746331_100000187820 [1,1,0,0,0,0|1,0,0]=3 5005 B10R0.4 NC(=O)COCCCCCBr 7a_100000746331_100000187820 [1,1,0,0,0,0|1,0,0]=3 5006 B10R0.4 NC(=O)COCCCCCCl 34a_100000746330_100000187820 [1,1,0,0,0,0|1,0,0]=3 5007 B10R0.4 NC(=O)COCCCCCCl 7a_100000746330_100000187820 [1,1,0,0,0,0|1,0,0]=3 5008 B10R0.4 NC(=O)COCCCCCI 34a_200012148887_100000187820 [1,1,0,0,0,0|1,0,0]=3 5009 B10R0.4 NC(=O)COCCCCCI 7a_200012148887_100000187820 [1,1,0,0,0,0|1,0,0]=3 5010 B10R0.4 NC(=O)COCCNCCF 34a_100000724931_100000076697 [1,1,0,0,0,0|2,0,0]=4 5011 B10R0.4 NC(=O)COCCNCCO 2230a_100016997473_100000076697 [1,1,0,0,0,0|2,0,0]=4 5012 B10R0.4 NC(=O)COCCNCCO 34a_100016990907_100000076697 [1,1,0,0,0,0|2,0,0]=4 5013 B10R0.4 NC(=O)COCCOCCBr 34a_100000211926_100000076697 [1,1,0,0,0,0|2,0,0]=4 5014 B10R0.4 NC(=O)COCCOCCBr 34a_100000692535_100000187820 [1,1,0,0,0,0|2,0,0]=4 5015 B10R0.4 NC(=O)COCCOCCBr 7a_100000692535_100000187820 [1,1,0,0,0,0|2,0,0]=4 5016 B10R0.4 NC(=O)COCCOCCCl 34a_100011215305_100000187820 [1,1,0,0,0,0|2,0,0]=4 5017 B10R0.4 NC(=O)COCCOCCCl 7a_100011215305_100000187820 [1,1,0,0,0,0|2,0,0]=4 5018 B10R0.4 NC(=O)COCCOCCF 34a_200015357709_100000187820 [1,1,0,0,0,0|2,0,0]=4 5019 B10R0.4 NC(=O)COCCOCCF 7a_200015357709_100000187820 [1,1,0,0,0,0|2,0,0]=4 5020 B10R0.4 NC(=O)COCCOCCI 34a_100012149058_100000187820 [1,1,0,0,0,0|2,0,0]=4 5021 B10R0.4 NC(=O)COCCOCCI 7a_100012149058_100000187820 [1,1,0,0,0,0|2,0,0]=4 5022 B10R0.4 NC(=O)COCCSCCF 62a_100000076697_100011217306 [1,1,0,0,0,0|2,0,0]=4 5023 B10R0.4 NC(=O)COCCSCCF 62a_100011217306_100000076697 [1,1,0,0,0,0|2,0,0]=4 5024 B10R0.4 NC(=O)COCCSCCO 62a_100000076697_100000211926 [1,1,0,0,0,0|2,0,0]=4 5025 B10R0.4 NC(=O)COCCSCCO 62a_100000211926_100000076697 [1,1,0,0,0,0|2,0,0]=4 5026 B10R0.4 NC(=O)CSCCCCC=O 62a_100000139335_100000747473 [1,1,0,0,0,0|1,0,1]=4 5027 B10R0.4 NC(=O)CSCCCCC=O 62a_100000747473_100000139335 [1,1,0,0,0,0|1,0,1]=4 5028 B10R0.4 NC(=O)CSCCCCCF 62a_100000729378_100000747473 [1,1,0,0,0,0|1,0,0]=3 5029 B10R0.4 NC(=O)CSCCCCCF 62a_100000747473_100000729378 [1,1,0,0,0,0|1,0,0]=3 5030 B10R0.4 NC(=O)CSCCCCCO 62a_100000746330_100000747473 [1,1,0,0,0,0|1,0,0]=3 5031 B10R0.4 NC(=O)CSCCCCCO 62a_100000747473_100000746330 [1,1,0,0,0,0|1,0,0]=3 5032 B10R0.4 NC(=O)CSCCOCCO 62a_100000747473_100011215305 [1,1,0,0,0,0|2,0,0]=4 5033 B10R0.4 NC(=O)CSCCOCCO 62a_100011215305_100000747473 [1,1,0,0,0,0|2,0,0]=4 5034 B10R0.4 NC(=O)NCCNCCCF 2230a_100015189416_200000034859 [1,1,0,0,0,0|2,0,0]=4 5035 B10R0.4 NC(=O)NCCNCCCF 34a_100020590234_100011934791 [1,1,0,0,0,0|2,0,0]=4 5036 B10R0.4 NC(=O)NCCNCCCO 34a_100020590234_100000230001 [1,1,0,0,0,0|2,0,0]=4 5037 B10R0.4 NC(=O)NCCOCCCF 34a_100000181757_100011934791 [1,1,0,0,0,0|2,0,0]=4 5038 B10R0.4 NC(=O)NCCOCCCO 34a_100000181757_100000230001 [1,1,0,0,0,0|2,0,0]=4 5039 B10R0.4 NC(=O)NCCSCCCF 62a_100011934791_200000034859 [1,1,0,0,0,0|2,0,0]=4 5040 B10R0.4 NC(=O)NCCSCCCF 62a_200000034859_100011934791 [1,1,0,0,0,0|2,0,0]=4 5041 B10R0.4 NC(=O)NCCSCCCO 62a_100011215043_200000034859 [1,1,0,0,0,0|2,0,0]=4 5042 B10R0.4 NC(=O)NCCSCCCO 62a_200000034859_100011215043 [1,1,0,0,0,0|2,0,0]=4 5043 B10R0.4 NC(=O)OCCNCCCF 34a_100015189416_200011214921 [1,1,0,0,0,0|2,0,0]=4 5044 B10R0.4 NC(=O)OCCOCCCBr 34a_100011217188_200011214921 [1,1,0,0,0,0|2,0,0]=4 5045 B10R0.4 NC(=O)OCCOCCCCl 34a_100000230001_200011214921 [1,1,0,0,0,0|2,0,0]=4 5046 B10R0.4 NC(=O)OCCOCCCF 34a_100000759539_200011214921 [1,1,0,0,0,0|2,0,0]=4 5047 B10R0.4 NC(=O)OCCOCCCF 7a_100000766696_100011934791 [1,1,0,0,0,0|2,0,0]=4 5048 B10R0.4 NC(=O)OCCOCCCO 7a_100000766696_100011215043 [1,1,0,0,0,0|2,0,0]=4 5049 B10R0.4 NC(=O)OCCSCCCF 62a_100011934791_200011214921 [1,1,0,0,0,0|2,0,0]=4 5050 B10R0.4 NC(=O)OCCSCCCF 62a_200011214921_100011934791 [1,1,0,0,0,0|2,0,0]=4 5051 B10R0.4 NC(=O)OCCSCCCO 62a_100011215043_200011214921 [1,1,0,0,0,0|2,0,0]=4 5052 B10R0.4 NC(=O)OCCSCCCO 62a_200011214921_100011215043 [1,1,0,0,0,0|2,0,0]=4 5053 B10R0.4 NCCCCCOCC(=O)N 34a_100000762737_100000187820 [1,1,0,0,0,0|1,0,0]=3 5054 B10R0.4 NCCCCCOCC(=O)[O-] 34a_100000762737_100020667443 [1,1,0,0,0,0|1,0,1]=4 5055 B10R0.4 NCCCCOCCC(=O)N 34a_100000750430_100000731001 [1,1,0,0,0,0|1,0,0]=3 5056 B10R0.4 NCCCOCCCC(=O)N 34a_100000182051_100102525003 [1,1,0,0,0,0|1,0,0]=3 5057 B10R0.4 NCCCOCCOC(=O)N 34a_100000182051_200011214921 [1,1,0,0,0,0|2,0,0]=4 5058 B10R0.4 NCCOCCOCC(=O)N 34a_100000210304_100000076697 [1,1,0,0,0,0|2,0,0]=4 5059 B10R0.4 NCCOCCOCC(=O)N 34a_100000211614_100000187820 [1,1,0,0,0,0|2,0,0]=4 5060 B10R0.4 NOCCOCCCC(=O)N 34a_100000700252_100102525003 [1,1,0,0,0,0|2,0,0]=4 5061 B10R0.4 O=C(O)CNCCCCCF 269956a_100016091260_100000729378 [1,1,0,0,0,0|1,0,0]=3 5062 B10R0.4 O=C(O)CNCCCCCO 269956a_100016091260_100000746330 [1,1,0,0,0,0|1,0,0]=3 5063 B10R0.4 O=C(O)CNCCOCCO 269956a_100016091260_100011215305 [1,1,0,0,0,0|2,0,0]=4 5064 B10R0.4 O=C(O)COCCNCCF 269956a_100000700818_100011217306 [1,1,0,0,0,0|2,0,0]=4 5065 B10R0.4 O=C(O)COCCNCCO 269956a_100000700818_100000211926 [1,1,0,0,0,0|2,0,0]=4 5066 B10R0.4 O=C(O)CONCCCCF 269956a_100000106656_100000729493 [1,1,0,0,0,0|2,0,0]=4 5067 B10R0.4 O=C(O)CONCCCCO 269956a_100000106656_100000210776 [1,1,0,0,0,0|2,0,0]=4 5068 B10R0.4 O=C([O-])CCCCCOCF 7a_100102619762_100015361967 [1,1,0,0,0,0|1,0,1]=4 5069 B10R0.4 O=C([O-])CNCCCCCO 34a_100000762737_100020667443 [1,1,0,0,0,0|1,0,1]=4 5070 B10R0.4 O=C([O-])COCCCCCBr 34a_100000746331_100020667443 [1,1,0,0,0,0|1,0,1]=4 5071 B10R0.4 O=C([O-])COCCCCCCl 34a_100000746330_100020667443 [1,1,0,0,0,0|1,0,1]=4 5072 B10R0.4 O=C([O-])COCCCCCI 34a_200012148887_100020667443 [1,1,0,0,0,0|1,0,1]=4 5073 B10R0.4 O=C([O-])CSCCCCCF 62a_100000729378_100020667443 [1,1,0,0,0,0|1,0,1]=4 5074 B10R0.4 O=C([O-])CSCCCCCF 62a_100020667443_100000729378 [1,1,0,0,0,0|1,0,1]=4 5075 B10R0.4 O=C([O-])CSCCCCCO 62a_100000746330_100020667443 [1,1,0,0,0,0|1,0,1]=4 5076 B10R0.4 O=C([O-])CSCCCCCO 62a_100020667443_100000746330 [1,1,0,0,0,0|1,0,1]=4 5077 B10R0.4 O=CCCCCNCC(=O)O 269956a_100016091260_100000139335 [1,1,0,0,0,0|1,0,1]=4 5078 B10R0.4 [13CH3]C(=O)CCCCCCCO 1458a_100011219782_200025704644 [1,1,0,0,0,0|1,0,0]=3 5079 B10R0.4 [13CH3]SCCCCCCB(O)O 62a_100009817187_200025704644 [1,1,0,0,0,0|1,0,1]=4 5080 B10R0.4 [13CH3]SCCCCCCB(O)O 62a_200025704644_100009817187 [1,1,0,0,0,0|1,0,1]=4 5081 B10R0.6 CCCCCC(=O)CC(=O)C 1458a_100000070787_200012276598 [1,1,0,0,0,0|1,0,1]=4 5082 B10R0.6 CCCCCC(=O)CC(=O)N 1458a_100000212188_100000187820 [1,1,0,0,0,0|0,0,1]=3 5083 B10R0.6 CCCCCC(=O)CC(=O)N 1458a_100134613110_100000210326 [1,1,0,0,0,0|0,0,1]=3 5084 B10R0.6 CCCCCC(=O)CC(=O)[O-] 1458a_100000212188_100020667443 [1,1,0,0,0,0|0,0,2]=4 5085 B10R0.6 CCCCCC(C)NC(=O)C 11a_100000211957_100015343762 [1,1,0,0,0,0|2,0,0]=4 5086 B10R0.6 CCCCCC(C)NC(=O)C 1626a_100000211957_100015343762 [1,1,0,0,0,0|2,0,0]=4 5087 B10R0.6 CCCCCC(C)NC(=O)C 240690a_100000211957_100015343762 [1,1,0,0,0,0|2,0,0]=4 5088 B10R0.6 CCCCCC(C)NC(=O)C 527a_100000211957_100103153847 [1,1,0,0,0,0|2,0,0]=4 5089 B10R0.6 CCCCCN(C)CC(=O)N 2230a_100000223495_100000747473 [1,1,0,0,0,0|1,0,0]=3 5090 B10R0.6 CCCCCN(C)CC(=O)N 2230a_100000739694_100000210326 [1,1,0,0,0,0|1,0,0]=3 5091 B10R0.6 CCCCCN(C)CC(=O)N 269982a_100000223495_100000187820 [1,1,0,0,0,0|1,0,0]=3 5092 B10R0.6 CCCCCN(C)CC(=O)O 269956a_100000746989_100000210326 [1,1,0,0,0,0|1,0,0]=3 5093 B10R0.6 CCCCCN(C)CC(=O)[O-] 269982a_100000223495_100020667443 [1,1,0,0,0,0|1,0,1]=4 5094 B10R0.6 CCCCNC(=O)CC(=O)N 240690a_100000102301_100134613110 [1,1,0,0,0,0|1,0,1]=4 5095 B10R0.6 CCCCNC(=O)CC(=O)N 527a_100000102301_100134613110 [1,1,0,0,0,0|1,0,1]=4 5096 B10R0.6 CCCNCC(O)CC(=O)O 269956a_100011218706_100000210207 [1,1,0,0,0,0|1,0,0]=3 5097 B10R0.6 CCCOCC(=O)CC(=O)N 1458a_100000745993_100000187820 [1,1,0,0,0,0|1,0,1]=4 5098 B10R0.6 CCCSCC(=O)CC(=O)N 1458a_100000217233_100000187820 [1,1,0,0,0,0|1,0,1]=4 5099 B10R0.6 CCOCCC(=O)CC(=O)N 1458a_100000749530_100000187820 [1,1,0,0,0,0|1,0,1]=4 5100 B10R0.6 CCOCCC(=O)CC(=O)N 1458a_100134613110_100011215890 [1,1,0,0,0,0|1,0,1]=4 5101 B10R0.6 CCOCCN(C)CC(=O)N 2230a_100000739694_100011215890 [1,1,0,0,0,0|2,0,0]=4 5102 B10R0.6 CCOCCN(C)CC(=O)O 269956a_100000746989_100000210147 [1,1,0,0,0,0|2,0,0]=4 5103 B10R0.6 CCSCCC(=O)CC(=O)N 1458a_100000230768_100000187820 [1,1,0,0,0,0|1,0,1]=4 5104 B10R0.6 CCSCCC(=O)CC(=O)N 1458a_100134613110_100000757381 [1,1,0,0,0,0|1,0,1]=4 5105 B10R0.6 CCSCCN(C)CC(=O)N 2230a_100000739694_100000757381 [1,1,0,0,0,0|2,0,0]=4 5106 B10R0.6 CCSCCN(C)CC(=O)O 269956a_100000746989_100000757381 [1,1,0,0,0,0|2,0,0]=4 5107 B10R0.6 CN(CCCCF)CC(=O)N 2230a_100000739694_100000729493 [1,1,0,0,0,0|2,0,0]=4 5108 B10R0.6 CN(CCCCF)CC(=O)O 269956a_100000746989_100000729493 [1,1,0,0,0,0|2,0,0]=4 5109 B10R0.6 CN(CCCCO)CC(=O)N 2230a_100000717598_100000747473 [1,1,0,0,0,0|2,0,0]=4 5110 B10R0.6 CN(CCCCO)CC(=O)N 2230a_100000739694_100000210776 [1,1,0,0,0,0|2,0,0]=4 5111 B10R0.6 CN(CCCCO)CC(=O)N 269982a_100000717598_100000187820 [1,1,0,0,0,0|2,0,0]=4 5112 B10R0.6 CN(CCCCO)CC(=O)O 269956a_100000746989_100000210776 [1,1,0,0,0,0|2,0,0]=4 5113 B10R0.6 COCCCC(=O)CC(=O)N 1458a_100000741012_100000187820 [1,1,0,0,0,0|1,0,1]=4 5114 B10R0.6 COCCCC(=O)CC(=O)N 1458a_100134613110_100000740836 [1,1,0,0,0,0|1,0,1]=4 5115 B10R0.6 COCCCN(C)CC(=O)N 2230a_100000224831_100000747473 [1,1,0,0,0,0|2,0,0]=4 5116 B10R0.6 COCCCN(C)CC(=O)N 2230a_100000739694_100000740836 [1,1,0,0,0,0|2,0,0]=4 5117 B10R0.6 COCCCN(C)CC(=O)N 269982a_100000224831_100000187820 [1,1,0,0,0,0|2,0,0]=4 5118 B10R0.6 COCCCN(C)CC(=O)O 269956a_100000746989_100000740836 [1,1,0,0,0,0|2,0,0]=4 5119 B10R0.6 COCNCC(O)CC(=O)O 269956a_100011218706_100000766300 [1,1,0,0,0,0|2,0,0]=4 5120 B10R0.6 CSCCCC(=O)CC(=O)N 1458a_100000173376_100000187820 [1,1,0,0,0,0|1,0,1]=4 5121 B10R0.6 CSCNCC(O)CC(=O)O 269956a_100011218706_100011218213 [1,1,0,0,0,0|2,0,0]=4 5122 B10R0.6 NC(=O)CC(=O)CCCCF 1458a_100134613110_100000729493 [1,1,0,0,0,0|1,0,1]=4 5123 B10R0.6 NC(=O)CC(=O)CCCCO 1458a_100000695505_100000187820 [1,1,0,0,0,0|1,0,1]=4 5124 B10R0.6 NC(=O)CC(=O)CCCCO 1458a_100134613110_100000210776 [1,1,0,0,0,0|1,0,1]=4 5125 B10R0.6 O=C(O)CC(O)CNCCF 269956a_100011218706_100011217306 [1,1,0,0,0,0|2,0,0]=4 5126 B10R0.6 O=C(O)CC(O)CNCCO 269956a_100011218706_100000211926 [1,1,0,0,0,0|2,0,0]=4 5127 B10R0.22 CCCCCSCS(=O)(=O)N 62a_100000210326_100000741382 [1,1,0,0,0,0|2,0,0]=4 5128 B10R0.22 CCCCCSCS(=O)(=O)N 62a_100000741382_100000210326 [1,1,0,0,0,0|2,0,0]=4 5129 B10R0.22 CCCCNCCS(=O)(=O)N 2230a_100000738205_100000210211 [1,1,0,0,0,0|2,0,0]=4 5130 B10R0.22 CCCCNCCS(=O)(=O)N 34a_100000738205_100000210210 [1,1,0,0,0,0|2,0,0]=4 5131 B10R0.22 CCCCOCCS(=O)(=O)N 34a_100012334274_100000210210 [1,1,0,0,0,0|2,0,0]=4 5132 B10R0.22 CCCOCCCS(=O)(=O)N 34a_100000210258_100000750626 [1,1,0,0,0,0|2,0,0]=4 5133 B10R0.22 CCCSCCCS(=O)(=O)N 62a_100000210303_100000750626 [1,1,0,0,0,0|2,0,0]=4 5134 B10R0.22 CCCSCCCS(=O)(=O)N 62a_100000750626_100000210303 [1,1,0,0,0,0|2,0,0]=4 5135 B10R0.55 CC(CF)OCCCC(=O)N 34a_100016041109_100102525003 [1,1,0,0,0,0|2,0,0]=4 5136 B10R0.55 CC(CF)OCCCC(=O)N 7a_100016041109_100102525003 [1,1,0,0,0,0|2,0,0]=4 5137 B10R0.55 CC(CN)COCCC(=O)N 34a_100000744482_100000731001 [1,1,0,0,0,0|2,0,0]=4 5138 B10R0.55 CC(CN)OCCCC(=O)N 34a_100000210904_100102525003 [1,1,0,0,0,0|2,0,0]=4 5139 B10R0.55 CC(CO)CCNCC(=O)N 2230a_106354213184_100000747473 [1,1,0,0,0,0|2,0,0]=4 5140 B10R0.55 CC(CO)CCNCC(=O)N 34a_106354213184_100000187820 [1,1,0,0,0,0|2,0,0]=4 5141 B10R0.55 CC(CO)CNCCC(=O)N 34a_100000744482_100000731001 [1,1,0,0,0,0|2,0,0]=4 5142 B10R0.55 CC(CO)NCCCC(=O)N 34a_100000739312_100012180447 [1,1,0,0,0,0|2,0,0]=4 5143 B10R0.55 CC(CO)SCCCC(=O)N 62a_100012180447_100102525003 [1,1,0,0,0,0|2,0,0]=4 5144 B10R0.55 CCC(=O)CCCCC(=O)C 1458a_100000210414_100000735457 [1,1,0,0,0,0|1,0,1]=4 5145 B10R0.55 CCC(=O)CCOCC(=O)N 1458a_100000210414_100000076697 [1,1,0,0,0,0|1,0,1]=4 5146 B10R0.55 CCC(=O)CCSCC(=O)N 1458a_100000148550_100000210202 [1,1,0,0,0,0|1,0,1]=4 5147 B10R0.55 CCC(=O)COCCC(=O)N 34a_100000725409_100000731001 [1,1,0,0,0,0|1,0,1]=4 5148 B10R0.55 CCC(=O)COCCC(=O)N 7a_100000757172_100000747405 [1,1,0,0,0,0|1,0,1]=4 5149 B10R0.55 CCC(=O)CSCCC(=O)N 62a_100000744528_100000747405 [1,1,0,0,0,0|1,0,1]=4 5150 B10R0.55 CCC(=O)CSCCC(=O)N 62a_100000747405_100000744528 [1,1,0,0,0,0|1,0,1]=4 5151 B10R0.55 CCC(=O)NCCCC(=O)N 240690a_100000739312_100000210414 [1,1,0,0,0,0|1,0,1]=4 5152 B10R0.55 CCC(=O)NCCCC(=O)N 527a_100000739312_100000210414 [1,1,0,0,0,0|1,0,1]=4 5153 B10R0.55 CCC(C)CCNCC(=O)N 2230a_100020591266_100000747473 [1,1,0,0,0,0|1,0,0]=3 5154 B10R0.55 CCC(C)CCOCC(=O)N 7a_100011215188_100000187820 [1,1,0,0,0,0|1,0,0]=3 5155 B10R0.55 CCC(C)CNCCC(=O)N 2230a_100020588543_100000744528 [1,1,0,0,0,0|1,0,0]=3 5156 B10R0.55 CCC(C)CNOCC(=O)O 269956a_100000106656_100000748023 [1,1,0,0,0,0|2,0,0]=4 5157 B10R0.55 CCC(C)COCCC(=O)C 34a_100000759926_100000748023 [1,1,0,0,0,0|2,0,0]=4 5158 B10R0.55 CCC(C)COCCC(=O)C 7a_100000759926_100000748023 [1,1,0,0,0,0|2,0,0]=4 5159 B10R0.55 CCC(C)COCCC(=O)N 34a_100000757172_100000748023 [1,1,0,0,0,0|1,0,0]=3 5160 B10R0.55 CCC(C)COCCC(=O)N 7a_100000757172_100000748023 [1,1,0,0,0,0|1,0,0]=3 5161 B10R0.55 CCC(C)CSCCC(=O)C 62a_100000053229_100000748023 [1,1,0,0,0,0|2,0,0]=4 5162 B10R0.55 CCC(C)CSCCC(=O)C 62a_100000748023_100000053229 [1,1,0,0,0,0|2,0,0]=4 5163 B10R0.55 CCC(C)CSCCC(=O)N 62a_100000744528_100000748023 [1,1,0,0,0,0|1,0,0]=3 5164 B10R0.55 CCC(C)CSCCC(=O)N 62a_100000748023_100000744528 [1,1,0,0,0,0|1,0,0]=3 5165 B10R0.55 CCC(C)NCCCC(=O)N 34a_100000739312_100011215416 [1,1,0,0,0,0|1,0,0]=3 5166 B10R0.55 CCC(C)NCCNC(=O)N 2230a_100000209981_200000034859 [1,1,0,0,0,0|2,0,0]=4 5167 B10R0.55 CCC(C)NCCNC(=O)N 34a_100020590234_100011215416 [1,1,0,0,0,0|2,0,0]=4 5168 B10R0.55 CCC(C)OCCCC(=O)C 34a_100000759063_100011215416 [1,1,0,0,0,0|2,0,0]=4 5169 B10R0.55 CCC(C)OCCCC(=O)C 7a_100000210228_100011215641 [1,1,0,0,0,0|2,0,0]=4 5170 B10R0.55 CCC(C)OCCCC(=O)C 7a_100000759063_100000758301 [1,1,0,0,0,0|2,0,0]=4 5171 B10R0.55 CCC(C)OCCCC(=O)N 7a_100000210228_100102525003 [1,1,0,0,0,0|1,0,0]=3 5172 B10R0.55 CCC(C)OCCNC(=O)N 34a_100000181757_100011215416 [1,1,0,0,0,0|2,0,0]=4 5173 B10R0.55 CCC(C)OCCNC(=O)N 7a_100000210228_200000034859 [1,1,0,0,0,0|2,0,0]=4 5174 B10R0.55 CCC(C)OCCOC(=O)N 7a_100000210228_200011214921 [1,1,0,0,0,0|2,0,0]=4 5175 B10R0.55 CCC(C)OCCOC(=O)N 7a_100000766696_100000758301 [1,1,0,0,0,0|2,0,0]=4 5176 B10R0.55 CCC(C)SCCCC(=O)C 62a_100000758301_100011215641 [1,1,0,0,0,0|2,0,0]=4 5177 B10R0.55 CCC(C)SCCCC(=O)C 62a_100011215641_100000758301 [1,1,0,0,0,0|2,0,0]=4 5178 B10R0.55 CCC(C)SCCCC(=O)N 62a_100000758301_100102525003 [1,1,0,0,0,0|1,0,0]=3 5179 B10R0.55 CCC(C)SCCCC(=O)N 62a_100102525003_100000758301 [1,1,0,0,0,0|1,0,0]=3 5180 B10R0.55 CCC(C)SCCNC(=O)N 62a_100000758301_200000034859 [1,1,0,0,0,0|2,0,0]=4 5181 B10R0.55 CCC(C)SCCNC(=O)N 62a_200000034859_100000758301 [1,1,0,0,0,0|2,0,0]=4 5182 B10R0.55 CCC(C)SCCOC(=O)N 62a_100000758301_200011214921 [1,1,0,0,0,0|2,0,0]=4 5183 B10R0.55 CCC(C)SCCOC(=O)N 62a_200011214921_100000758301 [1,1,0,0,0,0|2,0,0]=4 5184 B10R0.55 CCC(O)CNCCC(=O)N 2230a_100011218483_100000744528 [1,1,0,0,0,0|1,0,0]=3 5185 B10R0.55 CCC(O)CNOCC(=O)O 269956a_100000106656_100011218378 [1,1,0,0,0,0|2,0,0]=4 5186 B10R0.55 CCC(O)COCCC(=O)C 34a_100000759926_100011218378 [1,1,0,0,0,0|2,0,0]=4 5187 B10R0.55 CCC(O)COCCC(=O)C 7a_100000759926_100011218378 [1,1,0,0,0,0|2,0,0]=4 5188 B10R0.55 CCC(O)COCCC(=O)N 34a_100000757172_100011218378 [1,1,0,0,0,0|1,0,0]=3 5189 B10R0.55 CCC(O)COCCC(=O)N 7a_100000757172_100011218378 [1,1,0,0,0,0|1,0,0]=3 5190 B10R0.55 CCC(O)CSCCC(=O)C 62a_100000053229_100011218378 [1,1,0,0,0,0|2,0,0]=4 5191 B10R0.55 CCC(O)CSCCC(=O)C 62a_100011218378_100000053229 [1,1,0,0,0,0|2,0,0]=4 5192 B10R0.55 CCC(O)CSCCC(=O)N 62a_100000744528_100011218378 [1,1,0,0,0,0|1,0,0]=3 5193 B10R0.55 CCC(O)CSCCC(=O)N 62a_100011218378_100000744528 [1,1,0,0,0,0|1,0,0]=3 5194 B10R0.55 CCN(C)CCCCC(=O)C 269982a_100000225621_100000735457 [1,1,0,0,0,0|2,0,0]=4 5195 B10R0.55 CCN(C)CCOCC(=O)N 2230a_100000225621_100000076697 [1,1,0,0,0,0|2,0,0]=4 5196 B10R0.55 CCN(C)CCOCC(=O)N 269982a_100000225621_100000076697 [1,1,0,0,0,0|2,0,0]=4 5197 B10R0.55 CC[C@H](C)CNOCC(=O)O 269956a_100000106656_100009816398 [1,1,0,0,0,0|2,0,0]=4 5198 B10R0.55 CC[C@H](C)COCCC(=O)C 34a_100000759926_100009816398 [1,1,0,0,0,0|2,0,0]=4 5199 B10R0.55 CC[C@H](C)COCCC(=O)C 7a_100000759926_100009816398 [1,1,0,0,0,0|2,0,0]=4 5200 B10R0.55 CC[C@H](C)COCCC(=O)C 7a_100009816381_100000053229 [1,1,0,0,0,0|2,0,0]=4 5201 B10R0.55 CC[C@H](C)COCCC(=O)N 34a_100000757172_100009816398 [1,1,0,0,0,0|1,0,0]=3 5202 B10R0.55 CC[C@H](C)COCCC(=O)N 7a_100000757172_100009816398 [1,1,0,0,0,0|1,0,0]=3 5203 B10R0.55 CC[C@H](C)COCCC(=O)N 7a_100009816381_100000744528 [1,1,0,0,0,0|1,0,0]=3 5204 B10R0.55 CC[C@H](C)CSCCC(=O)C 62a_100000053229_100009816398 [1,1,0,0,0,0|2,0,0]=4 5205 B10R0.55 CC[C@H](C)CSCCC(=O)C 62a_100009816398_100000053229 [1,1,0,0,0,0|2,0,0]=4 5206 B10R0.55 CC[C@H](C)CSCCC(=O)N 62a_100000744528_100009816398 [1,1,0,0,0,0|1,0,0]=3 5207 B10R0.55 CC[C@H](C)CSCCC(=O)N 62a_100009816398_100000744528 [1,1,0,0,0,0|1,0,0]=3 5208 B10R0.55 COC(C)CCOCC(=O)N 7a_100000764861_100000187820 [1,1,0,0,0,0|2,0,0]=4 5209 B10R0.55 COC(C)COCCC(=O)N 34a_100000690652_100000731001 [1,1,0,0,0,0|2,0,0]=4 5210 B10R0.55 COC(C)SCCCC(=O)N 62a_100009879195_100102525003 [1,1,0,0,0,0|2,0,0]=4 5211 B10R0.55 COC(C)SCCCC(=O)N 62a_100102525003_100009879195 [1,1,0,0,0,0|2,0,0]=4 5212 B10R0.55 CO[C@H](C)CNCCC(=O)N 2230a_100020591295_100000744528 [1,1,0,0,0,0|2,0,0]=4 5213 B10R0.55 C[C@@H](CO)COCCC(=O)N 34a_100000757172_100000059175 [1,1,0,0,0,0|2,0,0]=4 5214 B10R0.55 C[C@@H](CO)COCCC(=O)N 7a_100000757172_100000059175 [1,1,0,0,0,0|2,0,0]=4 5215 B10R0.55 C[C@@H](CO)CSCCC(=O)N 62a_100000059175_100000744528 [1,1,0,0,0,0|2,0,0]=4 5216 B10R0.55 C[C@@H](CO)CSCCC(=O)N 62a_100000744528_100000059175 [1,1,0,0,0,0|2,0,0]=4 5217 B10R0.55 C[C@H](CO)SCCCC(=O)N 62a_100016084084_100102525003 [1,1,0,0,0,0|2,0,0]=4 5218 B10R0.55 C[C@H](CO)SCCCC(=O)N 62a_100102525003_100016084084 [1,1,0,0,0,0|2,0,0]=4 5219 B10R0.55 NC(=O)CCNC[C@@H](F)CO 34a_100015665980_100000731001 [1,1,0,0,0,0|2,0,0]=4 5220 B10R0.55 NC(=O)CCNC[C@H](O)CO 2230a_100020644852_100000744528 [1,1,0,0,0,0|2,0,0]=4 5221 B10R0.55 NC(=O)CCOCC(Cl)CCl 34a_100000033668_100000731001 [1,1,0,0,0,0|2,0,0]=4 5222 B10R0.55 NC(=O)CCOCC(O)CO 34a_100000757172_100011219619 [1,1,0,0,0,0|2,0,0]=4 5223 B10R0.55 NC(=O)CCOCC(O)CO 7a_100000757172_100011219619 [1,1,0,0,0,0|2,0,0]=4 5224 B10R0.55 NC(=O)CCOC[C@@H](O)CF 34a_100000757172_100015614560 [1,1,0,0,0,0|2,0,0]=4 5225 B10R0.55 NC(=O)CCOC[C@@H](O)CF 7a_100000757172_100015614560 [1,1,0,0,0,0|2,0,0]=4 5226 B10R0.55 NC(=O)CCOC[C@@H](O)CO 34a_100000757172_100009815848 [1,1,0,0,0,0|2,0,0]=4 5227 B10R0.55 NC(=O)CCOC[C@@H](O)CO 7a_100000757172_100009815848 [1,1,0,0,0,0|2,0,0]=4 5228 B10R0.55 NC(=O)CCSCC(O)CO 62a_100000744528_100011219619 [1,1,0,0,0,0|2,0,0]=4 5229 B10R0.55 NC(=O)CCSCC(O)CO 62a_100011219619_100000744528 [1,1,0,0,0,0|2,0,0]=4 5230 B10R0.55 NC(=O)CCSC[C@@H](O)CF 62a_100000744528_100015614560 [1,1,0,0,0,0|2,0,0]=4 5231 B10R0.55 NC(=O)CCSC[C@@H](O)CF 62a_100015614560_100000744528 [1,1,0,0,0,0|2,0,0]=4 5232 B10R0.55 NC(=O)CCSC[C@@H](O)CO 62a_100000744528_100009815848 [1,1,0,0,0,0|2,0,0]=4 5233 B10R0.55 NC(=O)CCSC[C@@H](O)CO 62a_100009815848_100000744528 [1,1,0,0,0,0|2,0,0]=4 5234 B10R0.55 NC[C@@H](F)COCCC(=O)N 34a_100015665980_100000731001 [1,1,0,0,0,0|2,0,0]=4 5235 B10R0.75 CC(CNCCCF)C(=O)O 269956a_100000749485_100011934791 [1,1,0,0,0,0|2,0,0]=4 5236 B10R0.75 CC(CNCCCO)C(=O)O 269956a_100000749485_100011215043 [1,1,0,0,0,0|2,0,0]=4 5237 B10R0.75 CC(NCCCCO)C(=O)N 2230a_100000750430_100000702099 [1,1,0,0,0,0|2,0,0]=4 5238 B10R0.75 CC(NCCCCO)C(=O)N 34a_100000750430_100000702099 [1,1,0,0,0,0|2,0,0]=4 5239 B10R0.75 CC(OCCCCBr)C(=O)N 34a_100011216708_100000702099 [1,1,0,0,0,0|2,0,0]=4 5240 B10R0.75 CC(OCCCCCl)C(=O)N 34a_100000210776_100000702099 [1,1,0,0,0,0|2,0,0]=4 5241 B10R0.75 CC(OCCCCCl)C(=O)N 7a_100000210776_100000702099 [1,1,0,0,0,0|2,0,0]=4 5242 B10R0.75 CC(OCCCCF)C(=O)N 34a_100011995726_100000702099 [1,1,0,0,0,0|2,0,0]=4 5243 B10R0.75 CC(OCCCCF)C(=O)N 7a_100011995726_100000702099 [1,1,0,0,0,0|2,0,0]=4 5244 B10R0.75 CC(OCCCCI)C(=O)N 34a_200012148704_100000702099 [1,1,0,0,0,0|2,0,0]=4 5245 B10R0.75 CC(OCCCCN)C(=O)N 34a_100000750430_100000702099 [1,1,0,0,0,0|2,0,0]=4 5246 B10R0.75 CC(SCCCCF)C(=O)N 62a_100000702099_100000729493 [1,1,0,0,0,0|2,0,0]=4 5247 B10R0.75 CC(SCCCCF)C(=O)N 62a_100000729493_100000702099 [1,1,0,0,0,0|2,0,0]=4 5248 B10R0.75 CC(SCCCCO)C(=O)N 62a_100000210776_100000702099 [1,1,0,0,0,0|2,0,0]=4 5249 B10R0.75 CC(SCCCCO)C(=O)N 62a_100000702099_100000210776 [1,1,0,0,0,0|2,0,0]=4 5250 B10R0.75 CCCCCCC(C)C(=O)C 1458a_100000070787_100011215978 [1,1,0,0,0,0|1,0,0]=3 5251 B10R0.75 CCCCCCC(O)C(=O)C 1458a_100011215828_200000210301 [1,1,0,0,0,0|1,0,0]=3 5252 B10R0.75 CCCCCCC(O)C(=O)[13CH3] 1458a_100011215828_200025704644 [1,1,0,0,0,0|1,0,0]=3 5253 B10R0.75 CCCCCCN(C)C(=O)C 11a_106256046315_100015343762 [1,1,0,0,0,0|2,0,0]=4 5254 B10R0.75 CCCCCCN(C)C(=O)C 1626a_106256046315_100015343762 [1,1,0,0,0,0|2,0,0]=4 5255 B10R0.75 CCCCCCN(C)C(=O)C 240690a_106256046315_100015343762 [1,1,0,0,0,0|2,0,0]=4 5256 B10R0.75 CCCCCCN(C)C(=O)C 527a_106256046315_100103153847 [1,1,0,0,0,0|2,0,0]=4 5257 B10R0.75 CCCCCNC(=O)C(=O)N 240690a_100000209983_100011215815 [1,1,0,0,0,0|1,0,1]=4 5258 B10R0.75 CCCCCNC(C)C(=O)C 2230a_100000209983_100009814033 [1,1,0,0,0,0|2,0,0]=4 5259 B10R0.75 CCCCCNC(C)C(=O)N 2230a_100000209983_100000702099 [1,1,0,0,0,0|1,0,0]=3 5260 B10R0.75 CCCCCNC(F)C(=O)N 2230a_100000209983_100009813875 [1,1,0,0,0,0|1,0,0]=3 5261 B10R0.75 CCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210326 [1,1,0,0,0,0|1,0,0]=3 5262 B10R0.75 CCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210326 [1,1,0,0,0,0|1,0,0]=3 5263 B10R0.75 CCCCCN[C@H](C)C(=O)N 34a_100000119354_100000718602 [1,1,0,0,0,0|1,0,0]=3 5264 B10R0.75 CCCCCOC(C)C(=O)C 34a_100000212229_100000718602 [1,1,0,0,0,0|2,0,0]=4 5265 B10R0.75 CCCCCOC(C)C(=O)C 7a_100000210253_100000179758 [1,1,0,0,0,0|2,0,0]=4 5266 B10R0.75 CCCCCOC(C)C(=O)N 34a_100000210253_100000702099 [1,1,0,0,0,0|1,0,0]=3 5267 B10R0.75 CCCCCOC(C)C(=O)N 7a_100000210253_100000702099 [1,1,0,0,0,0|1,0,0]=3 5268 B10R0.75 CCCCCOC(F)C(=O)N 34a_100000210253_100009813875 [1,1,0,0,0,0|1,0,0]=3 5269 B10R0.75 CCCCCOC(F)C(=O)N 7a_100000210253_100009813875 [1,1,0,0,0,0|1,0,0]=3 5270 B10R0.75 CCCCCOC(F)C(=O)[O-] 34a_100000210253_100020610796 [1,1,0,0,0,0|1,0,1]=4 5271 B10R0.75 CCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210326 [1,1,0,0,0,0|1,0,1]=4 5272 B10R0.75 CCCCCO[C@H](C)C(=O)N 34a_100000731257_100000718602 [1,1,0,0,0,0|1,0,0]=3 5273 B10R0.75 CCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210326 [1,1,0,0,0,0|1,0,0]=3 5274 B10R0.75 CCCCCSC(C)C(=O)C 62a_100000210326_100009814033 [1,1,0,0,0,0|2,0,0]=4 5275 B10R0.75 CCCCCSC(C)C(=O)C 62a_100009814033_100000210326 [1,1,0,0,0,0|2,0,0]=4 5276 B10R0.75 CCCCCSC(C)C(=O)N 62a_100000210326_100000702099 [1,1,0,0,0,0|1,0,0]=3 5277 B10R0.75 CCCCCSC(C)C(=O)N 62a_100000702099_100000210326 [1,1,0,0,0,0|1,0,0]=3 5278 B10R0.75 CCCCCSC(F)C(=O)N 62a_100000210326_100009813875 [1,1,0,0,0,0|1,0,0]=3 5279 B10R0.75 CCCCCSC(F)C(=O)N 62a_100009813875_100000210326 [1,1,0,0,0,0|1,0,0]=3 5280 B10R0.75 CCCCCSC(F)C(=O)[O-] 62a_100000210326_100020610796 [1,1,0,0,0,0|1,0,1]=4 5281 B10R0.75 CCCCCSC(F)C(=O)[O-] 62a_100020610796_100000210326 [1,1,0,0,0,0|1,0,1]=4 5282 B10R0.75 CCCCNCC(C)C(=O)O 269956a_100000749485_100000210211 [1,1,0,0,0,0|1,0,0]=3 5283 B10R0.75 CCCCNCC(F)C(=O)O 269956a_100000084737_100000210211 [1,1,0,0,0,0|1,0,0]=3 5284 B10R0.75 CCCCOCC(C)C(=O)C 34a_100000032740_100000210210 [1,1,0,0,0,0|2,0,0]=4 5285 B10R0.75 CCCCOCC(C)C(=O)C 7a_100000032740_100000210211 [1,1,0,0,0,0|2,0,0]=4 5286 B10R0.75 CCCCOC[C@H](N)C(=O)N 34a_100000729942_100000210210 [1,1,0,0,0,0|1,0,0]=3 5287 B10R0.75 CCOCCNC(C)C(=O)N 2230a_102516460346_100000702099 [1,1,0,0,0,0|2,0,0]=4 5288 B10R0.75 CCOCCNC(C)C(=O)N 34a_102516460346_100000702099 [1,1,0,0,0,0|2,0,0]=4 5289 B10R0.75 CCOCCNC(F)C(=O)N 2230a_102516460346_100009813875 [1,1,0,0,0,0|2,0,0]=4 5290 B10R0.75 CCOCCNC(F)C(=O)N 34a_102516460346_100009813875 [1,1,0,0,0,0|2,0,0]=4 5291 B10R0.75 CCOCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210147 [1,1,0,0,0,0|2,0,0]=4 5292 B10R0.75 CCOCCN[C@H](C)C(=O)N 2230a_100000119354_100011215890 [1,1,0,0,0,0|2,0,0]=4 5293 B10R0.75 CCOCCN[C@H](C)C(=O)N 34a_100000119354_100000210147 [1,1,0,0,0,0|2,0,0]=4 5294 B10R0.75 CCOCCOC(C)C(=O)N 34a_100000210136_100000702099 [1,1,0,0,0,0|2,0,0]=4 5295 B10R0.75 CCOCCOC(C)C(=O)N 7a_100000210136_100000702099 [1,1,0,0,0,0|2,0,0]=4 5296 B10R0.75 CCOCCOC(F)C(=O)N 34a_100000210136_100009813875 [1,1,0,0,0,0|2,0,0]=4 5297 B10R0.75 CCOCCOC(F)C(=O)N 7a_100000210136_100009813875 [1,1,0,0,0,0|2,0,0]=4 5298 B10R0.75 CCOCCO[C@H](C)C(=O)N 34a_100000731257_100000210147 [1,1,0,0,0,0|2,0,0]=4 5299 B10R0.75 CCOCCO[C@H](C)C(=O)N 7a_100000731257_100011215890 [1,1,0,0,0,0|2,0,0]=4 5300 B10R0.75 CCOCCSC(C)C(=O)N 62a_100000210147_100000702099 [1,1,0,0,0,0|2,0,0]=4 5301 B10R0.75 CCOCCSC(C)C(=O)N 62a_100000702099_100011215890 [1,1,0,0,0,0|2,0,0]=4 5302 B10R0.75 CCOCCSC(F)C(=O)N 62a_100000210147_100009813875 [1,1,0,0,0,0|2,0,0]=4 5303 B10R0.75 CCOCCSC(F)C(=O)N 62a_100009813875_100011215890 [1,1,0,0,0,0|2,0,0]=4 5304 B10R0.75 CCOCNCC(C)C(=O)O 269956a_100000749485_100000739092 [1,1,0,0,0,0|2,0,0]=4 5305 B10R0.75 CCOCNCC(F)C(=O)O 269956a_100000084737_100000739092 [1,1,0,0,0,0|2,0,0]=4 5306 B10R0.75 CCSCCNC(C)C(=O)N 2230a_100000106463_100000702099 [1,1,0,0,0,0|2,0,0]=4 5307 B10R0.75 CCSCCNC(F)C(=O)N 2230a_100000106463_100009813875 [1,1,0,0,0,0|2,0,0]=4 5308 B10R0.75 CCSCCN[C@@H](C)C(=O)O 269956a_100000743915_100000757381 [1,1,0,0,0,0|2,0,0]=4 5309 B10R0.75 CCSCCN[C@H](C)C(=O)N 2230a_100000119354_100000757381 [1,1,0,0,0,0|2,0,0]=4 5310 B10R0.75 CCSCCN[C@H](C)C(=O)N 34a_100000119354_100000757381 [1,1,0,0,0,0|2,0,0]=4 5311 B10R0.75 CCSCCOC(C)C(=O)N 34a_100000212035_100000702099 [1,1,0,0,0,0|2,0,0]=4 5312 B10R0.75 CCSCCOC(C)C(=O)N 7a_100000212035_100000702099 [1,1,0,0,0,0|2,0,0]=4 5313 B10R0.75 CCSCCOC(F)C(=O)N 34a_100000212035_100009813875 [1,1,0,0,0,0|2,0,0]=4 5314 B10R0.75 CCSCCOC(F)C(=O)N 7a_100000212035_100009813875 [1,1,0,0,0,0|2,0,0]=4 5315 B10R0.75 CCSCCO[C@H](C)C(=O)N 34a_100000731257_100000757381 [1,1,0,0,0,0|2,0,0]=4 5316 B10R0.75 CCSCCO[C@H](C)C(=O)N 7a_100000731257_100000757381 [1,1,0,0,0,0|2,0,0]=4 5317 B10R0.75 CCSCCSC(C)C(=O)N 62a_100000702099_100000757381 [1,1,0,0,0,0|2,0,0]=4 5318 B10R0.75 CCSCCSC(C)C(=O)N 62a_100000757381_100000702099 [1,1,0,0,0,0|2,0,0]=4 5319 B10R0.75 CCSCCSC(F)C(=O)N 62a_100000757381_100009813875 [1,1,0,0,0,0|2,0,0]=4 5320 B10R0.75 CCSCCSC(F)C(=O)N 62a_100009813875_100000757381 [1,1,0,0,0,0|2,0,0]=4 5321 B10R0.75 CNCCCOC(C)C(=O)N 34a_100000213112_100000702099 [1,1,0,0,0,0|2,0,0]=4 5322 B10R0.75 CNCCCOC(F)C(=O)N 34a_100000213112_100009813875 [1,1,0,0,0,0|2,0,0]=4 5323 B10R0.75 COCCCNC(C)C(=O)N 34a_100150723488_100000702099 [1,1,0,0,0,0|2,0,0]=4 5324 B10R0.75 COCCCNC(F)C(=O)N 34a_100150723488_100009813875 [1,1,0,0,0,0|2,0,0]=4 5325 B10R0.75 COCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000740836 [1,1,0,0,0,0|2,0,0]=4 5326 B10R0.75 COCCCN[C@H](C)C(=O)N 2230a_100000119354_100000740836 [1,1,0,0,0,0|2,0,0]=4 5327 B10R0.75 COCCCN[C@H](C)C(=O)N 34a_100000119354_100000740836 [1,1,0,0,0,0|2,0,0]=4 5328 B10R0.75 COCCCOC(C)C(=O)N 34a_100000740835_100000702099 [1,1,0,0,0,0|2,0,0]=4 5329 B10R0.75 COCCCOC(F)C(=O)N 34a_100000740835_100009813875 [1,1,0,0,0,0|2,0,0]=4 5330 B10R0.75 COCCCO[C@H](C)C(=O)N 34a_100000731257_100000740836 [1,1,0,0,0,0|2,0,0]=4 5331 B10R0.75 COCCCO[C@H](C)C(=O)N 7a_100000731257_100000740836 [1,1,0,0,0,0|2,0,0]=4 5332 B10R0.75 COCCCSC(C)C(=O)N 62a_100000702099_100000709357 [1,1,0,0,0,0|2,0,0]=4 5333 B10R0.75 COCCCSC(C)C(=O)N 62a_100000709357_100000702099 [1,1,0,0,0,0|2,0,0]=4 5334 B10R0.75 COCCCSC(F)C(=O)N 62a_100000709357_100009813875 [1,1,0,0,0,0|2,0,0]=4 5335 B10R0.75 COCCCSC(F)C(=O)N 62a_100009813875_100000709357 [1,1,0,0,0,0|2,0,0]=4 5336 B10R0.75 COCCNCC(C)C(=O)O 269956a_100000749485_100000233755 [1,1,0,0,0,0|2,0,0]=4 5337 B10R0.75 COCCNCC(F)C(=O)O 269956a_100000084737_100000233755 [1,1,0,0,0,0|2,0,0]=4 5338 B10R0.75 COCCOC[C@H](N)C(=O)N 34a_100000729942_100011201679 [1,1,0,0,0,0|2,0,0]=4 5339 B10R0.75 CSCCCNC(C)C(=O)N 2230a_100000749238_100000702099 [1,1,0,0,0,0|2,0,0]=4 5340 B10R0.75 CSCCCNC(F)C(=O)N 2230a_100000749238_100009813875 [1,1,0,0,0,0|2,0,0]=4 5341 B10R0.75 CSCCCOC(C)C(=O)N 34a_100000690336_100000702099 [1,1,0,0,0,0|2,0,0]=4 5342 B10R0.75 CSCCCOC(C)C(=O)N 7a_100000690336_100000702099 [1,1,0,0,0,0|2,0,0]=4 5343 B10R0.75 CSCCCOC(F)C(=O)N 34a_100000690336_100009813875 [1,1,0,0,0,0|2,0,0]=4 5344 B10R0.75 CSCCCOC(F)C(=O)N 7a_100000690336_100009813875 [1,1,0,0,0,0|2,0,0]=4 5345 B10R0.75 CSCCNCC(C)C(=O)O 269956a_100000749485_100000212216 [1,1,0,0,0,0|2,0,0]=4 5346 B10R0.75 CSCCNCC(F)C(=O)O 269956a_100000084737_100000212216 [1,1,0,0,0,0|2,0,0]=4 5347 B10R0.75 CSCCOC[C@H](N)C(=O)N 34a_100000729942_100000212216 [1,1,0,0,0,0|2,0,0]=4 5348 B10R0.75 C[C@@H](NCCCCF)C(=O)N 2230a_100000119354_100000729493 [1,1,0,0,0,0|2,0,0]=4 5349 B10R0.75 C[C@@H](NCCCCF)C(=O)N 34a_100000119354_100000729493 [1,1,0,0,0,0|2,0,0]=4 5350 B10R0.75 C[C@@H](NCCCCO)C(=O)N 2230a_100000119354_100000210776 [1,1,0,0,0,0|2,0,0]=4 5351 B10R0.75 C[C@@H](NCCCCO)C(=O)N 34a_100000119354_100011216708 [1,1,0,0,0,0|2,0,0]=4 5352 B10R0.75 C[C@@H](OCCCCF)C(=O)N 34a_100000731257_100000729493 [1,1,0,0,0,0|2,0,0]=4 5353 B10R0.75 C[C@@H](OCCCCF)C(=O)N 7a_100000731257_100000729493 [1,1,0,0,0,0|2,0,0]=4 5354 B10R0.75 C[C@@H](OCCCCO)C(=O)N 34a_100000731257_100011216708 [1,1,0,0,0,0|2,0,0]=4 5355 B10R0.75 C[C@@H](OCCCCO)C(=O)N 7a_100000731257_100000210776 [1,1,0,0,0,0|2,0,0]=4 5356 B10R0.75 C[C@H](NCCCCF)C(=O)O 269956a_100000743915_100000729493 [1,1,0,0,0,0|2,0,0]=4 5357 B10R0.75 C[C@H](NCCCCO)C(=O)O 269956a_100000743915_100000210776 [1,1,0,0,0,0|2,0,0]=4 5358 B10R0.75 NC(=O)C(F)NCCCCO 2230a_100000750430_100009813875 [1,1,0,0,0,0|2,0,0]=4 5359 B10R0.75 NC(=O)C(F)NCCCCO 34a_100000750430_100009813875 [1,1,0,0,0,0|2,0,0]=4 5360 B10R0.75 NC(=O)C(F)OCCCCBr 34a_100011216708_100009813875 [1,1,0,0,0,0|2,0,0]=4 5361 B10R0.75 NC(=O)C(F)OCCCCCl 34a_100000210776_100009813875 [1,1,0,0,0,0|2,0,0]=4 5362 B10R0.75 NC(=O)C(F)OCCCCCl 7a_100000210776_100009813875 [1,1,0,0,0,0|2,0,0]=4 5363 B10R0.75 NC(=O)C(F)OCCCCF 34a_100011995726_100009813875 [1,1,0,0,0,0|2,0,0]=4 5364 B10R0.75 NC(=O)C(F)OCCCCF 7a_100011995726_100009813875 [1,1,0,0,0,0|2,0,0]=4 5365 B10R0.75 NC(=O)C(F)OCCCCI 34a_200012148704_100009813875 [1,1,0,0,0,0|2,0,0]=4 5366 B10R0.75 NC(=O)C(F)SCCCCF 62a_100000729493_100009813875 [1,1,0,0,0,0|2,0,0]=4 5367 B10R0.75 NC(=O)C(F)SCCCCF 62a_100009813875_100000729493 [1,1,0,0,0,0|2,0,0]=4 5368 B10R0.75 NC(=O)C(F)SCCCCO 62a_100000210776_100009813875 [1,1,0,0,0,0|2,0,0]=4 5369 B10R0.75 NC(=O)C(F)SCCCCO 62a_100009813875_100000210776 [1,1,0,0,0,0|2,0,0]=4 5370 B10R0.75 NC(=O)[C@@H](N)COCCCF 34a_100000729942_100011934791 [1,1,0,0,0,0|2,0,0]=4 5371 B10R0.75 NC(=O)[C@@H](N)COCCCO 34a_100000729942_100000230001 [1,1,0,0,0,0|2,0,0]=4 5372 B10R0.75 NCCCCOC(F)C(=O)N 34a_100000750430_100009813875 [1,1,0,0,0,0|2,0,0]=4 5373 B10R0.75 O=C(O)C(F)CNCCCF 269956a_100000084737_100011934791 [1,1,0,0,0,0|2,0,0]=4 5374 B10R0.75 O=C(O)C(F)CNCCCO 269956a_100000084737_100011215043 [1,1,0,0,0,0|2,0,0]=4 5375 B10R0.78 CC(CCCCl)OCC(=O)N 34a_200000718107_100000187820 [1,1,0,0,0,0|2,0,0]=4 5376 B10R0.78 CC(CCCCl)OCC(=O)N 7a_200000718107_100000187820 [1,1,0,0,0,0|2,0,0]=4 5377 B10R0.78 CCCCC(=O)CCC(=O)N 1458a_100011215257_100000210211 [1,1,0,0,0,0|0,0,1]=3 5378 B10R0.78 CCCCC(=O)CNC(=O)N 1458a_100000184981_100000210211 [1,1,0,0,0,0|1,0,1]=4 5379 B10R0.78 CCCCC(=O)NCC(=O)N 11a_100000711301_100000210183 [1,1,0,0,0,0|1,0,1]=4 5380 B10R0.78 CCCCC(=O)NCC(=O)N 240690a_100000711301_100000210183 [1,1,0,0,0,0|1,0,1]=4 5381 B10R0.78 CCCCC(=O)NCC(=O)N 527a_100000711301_100000210183 [1,1,0,0,0,0|1,0,1]=4 5382 B10R0.78 CCCCC(C)CCC(=O)C 1458a_100000033779_200000210301 [1,1,0,0,0,0|1,0,0]=3 5383 B10R0.78 CCCCC(C)CCC(=O)[13CH3] 1458a_100000033779_200025704644 [1,1,0,0,0,0|1,0,0]=3 5384 B10R0.78 CCCCC(C)NCC(=O)N 2230a_100000126638_100000747473 [1,1,0,0,0,0|1,0,0]=3 5385 B10R0.78 CCCCC(C)NCC(=O)N 2230a_100000711301_200011215066 [1,1,0,0,0,0|1,0,0]=3 5386 B10R0.78 CCCCC(C)NCC(=O)O 269956a_100016091260_200011215066 [1,1,0,0,0,0|1,0,0]=3 5387 B10R0.78 CCCCC(C)OCC(=O)C 34a_100000211253_200011215066 [1,1,0,0,0,0|2,0,0]=4 5388 B10R0.78 CCCCC(C)OCC(=O)N 34a_100000687866_100000187820 [1,1,0,0,0,0|1,0,0]=3 5389 B10R0.78 CCCCC(C)OCC(=O)N 7a_100000687866_100000187820 [1,1,0,0,0,0|1,0,0]=3 5390 B10R0.78 CCCCC(C)OCC(=O)[O-] 34a_100000687866_100020667443 [1,1,0,0,0,0|1,0,1]=4 5391 B10R0.78 CCCCC(C)SCC(=O)N 62a_100000747473_200011215066 [1,1,0,0,0,0|1,0,0]=3 5392 B10R0.78 CCCCC(C)SCC(=O)N 62a_200011215066_100000747473 [1,1,0,0,0,0|1,0,0]=3 5393 B10R0.78 CCCCC(C)SCC(=O)[O-] 62a_100020667443_200011215066 [1,1,0,0,0,0|1,0,1]=4 5394 B10R0.78 CCCCC(C)SCC(=O)[O-] 62a_200011215066_100020667443 [1,1,0,0,0,0|1,0,1]=4 5395 B10R0.78 CCCCN(C)CCC(=O)C 269982a_100000207549_100000053229 [1,1,0,0,0,0|2,0,0]=4 5396 B10R0.78 CCCCN(C)CCC(=O)N 2230a_100000207549_100000744528 [1,1,0,0,0,0|1,0,0]=3 5397 B10R0.78 CCCCN(C)CCC(=O)N 2230a_100000730477_100000210211 [1,1,0,0,0,0|1,0,0]=3 5398 B10R0.78 CCCCN(C)CCC(=O)N 269982a_100000207549_100000744528 [1,1,0,0,0,0|1,0,0]=3 5399 B10R0.78 CCCNC(=O)CCC(=O)N 240690a_100020643023_100011215257 [1,1,0,0,0,0|1,0,1]=4 5400 B10R0.78 CCCNC(=O)CCC(=O)N 527a_100020643023_100011215257 [1,1,0,0,0,0|1,0,1]=4 5401 B10R0.78 CCOCC(C)OCC(=O)N 34a_100000718985_100000187820 [1,1,0,0,0,0|2,0,0]=4 5402 B10R0.78 CCOCC(C)OCC(=O)N 7a_100000718985_100000187820 [1,1,0,0,0,0|2,0,0]=4 5403 B10R0.78 CN(CCCF)CCC(=O)N 2230a_100000730477_100011934791 [1,1,0,0,0,0|2,0,0]=4 5404 B10R0.78 CN(CCCO)CCC(=O)N 2230a_100000213112_100000744528 [1,1,0,0,0,0|2,0,0]=4 5405 B10R0.78 CN(CCCO)CCC(=O)N 2230a_100000730477_100000230001 [1,1,0,0,0,0|2,0,0]=4 5406 B10R0.78 CN(CCCO)CCC(=O)N 269982a_100000213112_100000744528 [1,1,0,0,0,0|2,0,0]=4 5407 B10R0.78 COCCC(=O)CCC(=O)N 1458a_100011215257_100000233755 [1,1,0,0,0,0|1,0,1]=4 5408 B10R0.78 COCCN(C)CCC(=O)N 2230a_100000730477_100011201679 [1,1,0,0,0,0|2,0,0]=4 5409 B10R0.78 COCCN(C)CCC(=O)N 2230a_100000743101_100000744528 [1,1,0,0,0,0|2,0,0]=4 5410 B10R0.78 COCCN(C)CCC(=O)N 269982a_100000743101_100000744528 [1,1,0,0,0,0|2,0,0]=4 5411 B10R0.78 CSCCC(=O)CCC(=O)N 1458a_100011215257_100000751147 [1,1,0,0,0,0|1,0,1]=4 5412 B10R0.78 CSCCN(C)CCC(=O)N 2230a_100000686725_100000744528 [1,1,0,0,0,0|2,0,0]=4 5413 B10R0.78 CSCCN(C)CCC(=O)N 2230a_100000730477_100000751147 [1,1,0,0,0,0|2,0,0]=4 5414 B10R0.78 CSCCN(C)CCC(=O)N 269982a_100000686725_100000744528 [1,1,0,0,0,0|2,0,0]=4 5415 B10R0.78 NC(=O)CCC(=O)CCCF 1458a_100011215257_100011934791 [1,1,0,0,0,0|1,0,1]=4 5416 B10R0.78 NC(=O)CCC(=O)CCCO 1458a_100011215257_100011215043 [1,1,0,0,0,0|1,0,1]=4 5417 B10R0.97 C=C(C)CCOCCC(=O)N 34a_100000757172_100000730704 [1,1,0,0,0,0|1,0,1]=4 5418 B10R0.97 C=C(C)CCOCCC(=O)N 34a_100000764851_100000731001 [1,1,0,0,0,0|1,0,1]=4 5419 B10R0.97 C=C(C)CCOCCC(=O)N 7a_100000757172_100000730704 [1,1,0,0,0,0|1,0,1]=4 5420 B10R0.97 C=C(C)CCSCCC(=O)N 62a_100000730704_100000744528 [1,1,0,0,0,0|1,0,1]=4 5421 B10R0.97 C=C(C)CCSCCC(=O)N 62a_100000744528_100000730704 [1,1,0,0,0,0|1,0,1]=4 5422 B10R0.97 C=C(C)CNCCCC(=O)N 34a_100000739312_100000748629 [1,1,0,0,0,0|1,0,1]=4 5423 B10R0.97 C=C(C)COCCCC(=O)N 34a_100000210245_100102525003 [1,1,0,0,0,0|1,0,1]=4 5424 B10R0.97 C=C(C)CSCCCC(=O)N 62a_100000748629_100102525003 [1,1,0,0,0,0|1,0,1]=4 5425 B10R0.97 C=C(C)CSCCCC(=O)N 62a_100102525003_100000211660 [1,1,0,0,0,0|1,0,1]=4 5426 B10R0.97 CC(=O)CCCCCC(=O)N 1458a_100000070787_100009817443 [1,1,0,0,0,0|0,0,1]=3 5427 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000070787_100000210682 [1,1,0,0,0,0|1,0,0]=3 5428 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000766313_200000210301 [1,1,0,0,0,0|1,0,0]=3 5429 B10R0.97 CC(=O)CCCCNC(C)C 34a_100138425928_100009817362 [1,1,0,0,0,0|2,0,0]=4 5430 B10R0.97 CC(=O)CCCCOC(C)C 34a_100000212225_100009817362 [1,1,0,0,0,0|2,0,0]=4 5431 B10R0.97 CC(=O)CCCCSC(C)C 62a_100000210206_100000735457 [1,1,0,0,0,0|2,0,0]=4 5432 B10R0.97 CC(=O)CCCCSC(C)C 62a_100000735457_100000210206 [1,1,0,0,0,0|2,0,0]=4 5433 B10R0.97 CC(=O)CCCNCC(=O)O 269956a_100016091260_100011215641 [1,1,0,0,0,0|1,0,1]=4 5434 B10R0.97 CC(=O)CCCNCC(C)C 34a_100000210953_100000685027 [1,1,0,0,0,0|2,0,0]=4 5435 B10R0.97 CC(=O)CCCNCC(C)O 34a_100000210904_100000685027 [1,1,0,0,0,0|2,0,0]=4 5436 B10R0.97 CC(=O)CCCOCC(=O)N 34a_100000759063_100000187820 [1,1,0,0,0,0|1,0,1]=4 5437 B10R0.97 CC(=O)CCCOCC(=O)N 7a_100000759063_100000187820 [1,1,0,0,0,0|1,0,1]=4 5438 B10R0.97 CC(=O)CCCOCC(C)Br 34a_100012180447_100000685027 [1,1,0,0,0,0|2,0,0]=4 5439 B10R0.97 CC(=O)CCCOCC(C)C 34a_100000210257_100000685027 [1,1,0,0,0,0|2,0,0]=4 5440 B10R0.97 CC(=O)CCCOCC(C)C 34a_100000759063_100000210624 [1,1,0,0,0,0|2,0,0]=4 5441 B10R0.97 CC(=O)CCCOCC(C)C 7a_100000759063_100000210760 [1,1,0,0,0,0|2,0,0]=4 5442 B10R0.97 CC(=O)CCCOCC(C)F 34a_100015925927_100000685027 [1,1,0,0,0,0|2,0,0]=4 5443 B10R0.97 CC(=O)CCCOCC(C)O 34a_100000759063_100011218427 [1,1,0,0,0,0|2,0,0]=4 5444 B10R0.97 CC(=O)CCCOCC(C)O 7a_100000759063_100011218427 [1,1,0,0,0,0|2,0,0]=4 5445 B10R0.97 CC(=O)CCCOC[C@@H](C)Cl 34a_100016084084_100000685027 [1,1,0,0,0,0|2,0,0]=4 5446 B10R0.97 CC(=O)CCCOC[C@@H](C)N 34a_100000737577_100000685027 [1,1,0,0,0,0|2,0,0]=4 5447 B10R0.97 CC(=O)CCCOC[C@@H](C)O 34a_100000759063_100009817552 [1,1,0,0,0,0|2,0,0]=4 5448 B10R0.97 CC(=O)CCCOC[C@@H](C)O 7a_100000759063_100009817552 [1,1,0,0,0,0|2,0,0]=4 5449 B10R0.97 CC(=O)CCCSCC(=O)N 62a_100000747473_100011215641 [1,1,0,0,0,0|1,0,1]=4 5450 B10R0.97 CC(=O)CCCSCC(=O)N 62a_100011215641_100000747473 [1,1,0,0,0,0|1,0,1]=4 5451 B10R0.97 CC(=O)CCCSCC(C)C 62a_100000210624_100011215641 [1,1,0,0,0,0|2,0,0]=4 5452 B10R0.97 CC(=O)CCCSCC(C)C 62a_100011215641_100000210760 [1,1,0,0,0,0|2,0,0]=4 5453 B10R0.97 CC(=O)CCCSCC(C)O 62a_100011215641_100011218427 [1,1,0,0,0,0|2,0,0]=4 5454 B10R0.97 CC(=O)CCCSCC(C)O 62a_100011218427_100011215641 [1,1,0,0,0,0|2,0,0]=4 5455 B10R0.97 CC(=O)CCCSC[C@@H](C)O 62a_100009817552_100011215641 [1,1,0,0,0,0|2,0,0]=4 5456 B10R0.97 CC(=O)CCCSC[C@@H](C)O 62a_100011215641_100009817552 [1,1,0,0,0,0|2,0,0]=4 5457 B10R0.97 CC(=O)CCOCCC(=O)N 34a_100000759926_100000731001 [1,1,0,0,0,0|1,0,1]=4 5458 B10R0.97 CC(=O)CCOCCC(=O)N 7a_100000757172_100000053229 [1,1,0,0,0,0|1,0,1]=4 5459 B10R0.97 CC(=O)CCOCCC(=O)N 7a_100000759926_100000744528 [1,1,0,0,0,0|1,0,1]=4 5460 B10R0.97 CC(=O)CCOCCC(C)C 34a_100000759926_100000210312 [1,1,0,0,0,0|2,0,0]=4 5461 B10R0.97 CC(=O)CCOCCC(C)C 7a_100000210254_100000053229 [1,1,0,0,0,0|2,0,0]=4 5462 B10R0.97 CC(=O)CCOCCC(C)C 7a_100000759926_100000210626 [1,1,0,0,0,0|2,0,0]=4 5463 B10R0.97 CC(=O)CCOCCC(C)O 34a_100000759926_100012276601 [1,1,0,0,0,0|2,0,0]=4 5464 B10R0.97 CC(=O)CCOCCC(C)O 7a_100000759926_100012276601 [1,1,0,0,0,0|2,0,0]=4 5465 B10R0.97 CC(=O)CCSCCC(=O)N 62a_100000053229_100000744528 [1,1,0,0,0,0|1,0,1]=4 5466 B10R0.97 CC(=O)CCSCCC(=O)N 62a_100000744528_100000053229 [1,1,0,0,0,0|1,0,1]=4 5467 B10R0.97 CC(=O)CCSCCC(C)C 62a_100000053229_100000210312 [1,1,0,0,0,0|2,0,0]=4 5468 B10R0.97 CC(=O)CCSCCC(C)C 62a_100000210312_100000053229 [1,1,0,0,0,0|2,0,0]=4 5469 B10R0.97 CC(=O)CCSCCC(C)O 62a_100000053229_100012276601 [1,1,0,0,0,0|2,0,0]=4 5470 B10R0.97 CC(=O)CCSCCC(C)O 62a_100012276601_100000053229 [1,1,0,0,0,0|2,0,0]=4 5471 B10R0.97 CC(=O)COCCCC(=O)N 34a_100000211253_100102525003 [1,1,0,0,0,0|1,0,1]=4 5472 B10R0.97 CC(=O)COCCCC(C)C 34a_100000211253_100011214892 [1,1,0,0,0,0|2,0,0]=4 5473 B10R0.97 CC(=O)COCCCC(C)O 34a_100000211253_200000718107 [1,1,0,0,0,0|2,0,0]=4 5474 B10R0.97 CC(=O)NCCCCC(=O)N 11a_100000696515_100015343762 [1,1,0,0,0,0|1,0,1]=4 5475 B10R0.97 CC(=O)NCCCCC(=O)N 1626a_100000696515_100015343762 [1,1,0,0,0,0|1,0,1]=4 5476 B10R0.97 CC(=O)NCCCCC(=O)N 240690a_100000696515_100015343762 [1,1,0,0,0,0|1,0,1]=4 5477 B10R0.97 CC(=O)NCCCCC(=O)N 527a_100000696515_100103153847 [1,1,0,0,0,0|1,0,1]=4 5478 B10R0.97 CC(Br)CCOCCC(=O)N 34a_100009893172_100000731001 [1,1,0,0,0,0|1,0,0]=3 5479 B10R0.97 CC(Br)COCCCC(=O)N 34a_100012180447_100102525003 [1,1,0,0,0,0|1,0,0]=3 5480 B10R0.97 CC(Br)COCCOC(=O)N 34a_100012180447_200011214921 [1,1,0,0,0,0|2,0,0]=4 5481 B10R0.97 CC(C)CCCCCC(=O)[13CH3] 1458a_100000766313_200025704644 [1,1,0,0,0,0|1,0,0]=3 5482 B10R0.97 CC(C)CCCNCC(=O)N 2230a_100000711301_100011214892 [1,1,0,0,0,0|1,0,0]=3 5483 B10R0.97 CC(C)CCCNCC(=O)N 2230a_200000737386_100000747473 [1,1,0,0,0,0|1,0,0]=3 5484 B10R0.97 CC(C)CCCNCC(=O)N 34a_200000737386_100000187820 [1,1,0,0,0,0|1,0,0]=3 5485 B10R0.97 CC(C)CCCNCC(=O)O 269956a_100016091260_100011214892 [1,1,0,0,0,0|1,0,0]=3 5486 B10R0.97 CC(C)CCCNCC(=O)[O-] 34a_200000737386_100020667443 [1,1,0,0,0,0|1,0,1]=4 5487 B10R0.97 CC(C)CCCOCC(=O)N 34a_100000210774_100000187820 [1,1,0,0,0,0|1,0,0]=3 5488 B10R0.97 CC(C)CCCOCC(=O)N 7a_100000210774_100000187820 [1,1,0,0,0,0|1,0,0]=3 5489 B10R0.97 CC(C)CCCOCC(=O)[O-] 34a_100000210774_100020667443 [1,1,0,0,0,0|1,0,1]=4 5490 B10R0.97 CC(C)CCCSCC(=O)N 62a_100000747473_100011214892 [1,1,0,0,0,0|1,0,0]=3 5491 B10R0.97 CC(C)CCCSCC(=O)N 62a_100011214892_100000747473 [1,1,0,0,0,0|1,0,0]=3 5492 B10R0.97 CC(C)CCCSCC(=O)[O-] 62a_100011214892_100020667443 [1,1,0,0,0,0|1,0,1]=4 5493 B10R0.97 CC(C)CCCSCC(=O)[O-] 62a_100020667443_100011214892 [1,1,0,0,0,0|1,0,1]=4 5494 B10R0.97 CC(C)CCNCCC(=O)N 269862a_100000740010_100000185833 [1,1,0,0,0,0|1,0,0]=3 5495 B10R0.97 CC(C)CCNOCC(=O)O 269956a_100000106656_100000210312 [1,1,0,0,0,0|2,0,0]=4 5496 B10R0.97 CC(C)CCOCCC(=O)N 34a_100000210254_100000731001 [1,1,0,0,0,0|1,0,0]=3 5497 B10R0.97 CC(C)CCOCCC(=O)N 34a_100000757172_100000210312 [1,1,0,0,0,0|1,0,0]=3 5498 B10R0.97 CC(C)CCOCCC(=O)N 7a_100000210254_100000744528 [1,1,0,0,0,0|1,0,0]=3 5499 B10R0.97 CC(C)CCOCCC(=O)N 7a_100000757172_100000210626 [1,1,0,0,0,0|1,0,0]=3 5500 B10R0.97 CC(C)CCSCCC(=O)N 62a_100000210312_100000744528 [1,1,0,0,0,0|1,0,0]=3 5501 B10R0.97 CC(C)CCSCCC(=O)N 62a_100000744528_100000210312 [1,1,0,0,0,0|1,0,0]=3 5502 B10R0.97 CC(C)CNCCCC(=O)N 34a_100000210953_100102525003 [1,1,0,0,0,0|1,0,0]=3 5503 B10R0.97 CC(C)CNCCCC(=O)N 34a_100000739312_100000210624 [1,1,0,0,0,0|1,0,0]=3 5504 B10R0.97 CC(C)CNCCNC(=O)N 2230a_100000210953_200000034859 [1,1,0,0,0,0|2,0,0]=4 5505 B10R0.97 CC(C)CNCCNC(=O)N 34a_100020590234_100000210624 [1,1,0,0,0,0|2,0,0]=4 5506 B10R0.97 CC(C)CNCCOC(=O)N 34a_100000210953_200011214921 [1,1,0,0,0,0|2,0,0]=4 5507 B10R0.97 CC(C)COCCCC(=O)N 34a_100000210257_100102525003 [1,1,0,0,0,0|1,0,0]=3 5508 B10R0.97 CC(C)COCCNC(=O)N 34a_100000181757_100000210624 [1,1,0,0,0,0|2,0,0]=4 5509 B10R0.97 CC(C)COCCOC(=O)N 34a_100000210257_200011214921 [1,1,0,0,0,0|2,0,0]=4 5510 B10R0.97 CC(C)COCCOC(=O)N 7a_100000766696_100000210760 [1,1,0,0,0,0|2,0,0]=4 5511 B10R0.97 CC(C)CSCCCC(=O)N 62a_100000210624_100102525003 [1,1,0,0,0,0|1,0,0]=3 5512 B10R0.97 CC(C)CSCCCC(=O)N 62a_100102525003_100000210760 [1,1,0,0,0,0|1,0,0]=3 5513 B10R0.97 CC(C)CSCCNC(=O)N 62a_100000210624_200000034859 [1,1,0,0,0,0|2,0,0]=4 5514 B10R0.97 CC(C)CSCCNC(=O)N 62a_200000034859_100000210760 [1,1,0,0,0,0|2,0,0]=4 5515 B10R0.97 CC(C)CSCCOC(=O)N 62a_100000210624_200011214921 [1,1,0,0,0,0|2,0,0]=4 5516 B10R0.97 CC(C)CSCCOC(=O)N 62a_200011214921_100000210760 [1,1,0,0,0,0|2,0,0]=4 5517 B10R0.97 CC(C)NCCCCC(=O)N 34a_100000696515_100000210206 [1,1,0,0,0,0|1,0,0]=3 5518 B10R0.97 CC(C)NCCOCC(=O)N 2230a_100138425928_100000076697 [1,1,0,0,0,0|2,0,0]=4 5519 B10R0.97 CC(C)NCCOCC(=O)N 34a_100000224655_100000187820 [1,1,0,0,0,0|2,0,0]=4 5520 B10R0.97 CC(C)NCCOCC(=O)N 34a_100138425928_100000076697 [1,1,0,0,0,0|2,0,0]=4 5521 B10R0.97 CC(C)NCCOCC(=O)O 269956a_100000700818_100000210206 [1,1,0,0,0,0|2,0,0]=4 5522 B10R0.97 CC(C)OCCCCC(=O)N 34a_100012022536_100000210206 [1,1,0,0,0,0|1,0,0]=3 5523 B10R0.97 CC(C)OCCCCC(=O)N 7a_100012022536_100000210206 [1,1,0,0,0,0|1,0,0]=3 5524 B10R0.97 CC(C)OCCNCC(=O)N 2230a_100000701111_100000747473 [1,1,0,0,0,0|2,0,0]=4 5525 B10R0.97 CC(C)OCCNCC(=O)N 2230a_100000711301_100000211751 [1,1,0,0,0,0|2,0,0]=4 5526 B10R0.97 CC(C)OCCNCC(=O)N 34a_100000701111_100000187820 [1,1,0,0,0,0|2,0,0]=4 5527 B10R0.97 CC(C)OCCNCC(=O)O 269956a_100016091260_100000211751 [1,1,0,0,0,0|2,0,0]=4 5528 B10R0.97 CC(C)OCCOCC(=O)N 34a_100000211219_100000187820 [1,1,0,0,0,0|2,0,0]=4 5529 B10R0.97 CC(C)OCCOCC(=O)N 34a_100000212225_100000076697 [1,1,0,0,0,0|2,0,0]=4 5530 B10R0.97 CC(C)OCCOCC(=O)N 7a_100000211219_100000187820 [1,1,0,0,0,0|2,0,0]=4 5531 B10R0.97 CC(C)OCCSCC(=O)N 62a_100000211751_100000747473 [1,1,0,0,0,0|2,0,0]=4 5532 B10R0.97 CC(C)OCCSCC(=O)N 62a_100000747473_100000211751 [1,1,0,0,0,0|2,0,0]=4 5533 B10R0.97 CC(C)OCOCCC(=O)N 34a_100000757172_100000709892 [1,1,0,0,0,0|2,0,0]=4 5534 B10R0.97 CC(C)OCSCCC(=O)N 62a_100000709892_100000744528 [1,1,0,0,0,0|2,0,0]=4 5535 B10R0.97 CC(C)OCSCCC(=O)N 62a_100000744528_100000709892 [1,1,0,0,0,0|2,0,0]=4 5536 B10R0.97 CC(C)SCCNCC(=O)N 2230a_100000711301_100000730970 [1,1,0,0,0,0|2,0,0]=4 5537 B10R0.97 CC(C)SCCNCC(=O)N 2230a_100000731138_100000747473 [1,1,0,0,0,0|2,0,0]=4 5538 B10R0.97 CC(C)SCCNCC(=O)N 34a_100000731138_100000187820 [1,1,0,0,0,0|2,0,0]=4 5539 B10R0.97 CC(C)SCCNCC(=O)O 269956a_100016091260_100000730970 [1,1,0,0,0,0|2,0,0]=4 5540 B10R0.97 CC(C)SCCOCC(=O)N 34a_200011212901_100000187820 [1,1,0,0,0,0|2,0,0]=4 5541 B10R0.97 CC(C)SCCOCC(=O)N 62a_100000076697_100000210206 [1,1,0,0,0,0|2,0,0]=4 5542 B10R0.97 CC(C)SCCOCC(=O)N 62a_100000210206_100000076697 [1,1,0,0,0,0|2,0,0]=4 5543 B10R0.97 CC(C)SCCOCC(=O)N 7a_200011212901_100000187820 [1,1,0,0,0,0|2,0,0]=4 5544 B10R0.97 CC(C)SCCSCC(=O)N 62a_100000730970_100000747473 [1,1,0,0,0,0|2,0,0]=4 5545 B10R0.97 CC(C)SCCSCC(=O)N 62a_100000747473_100000730970 [1,1,0,0,0,0|2,0,0]=4 5546 B10R0.97 CC(F)COCCCC(=O)N 34a_100015925927_100102525003 [1,1,0,0,0,0|1,0,0]=3 5547 B10R0.97 CC(F)COCCOC(=O)N 34a_100015925927_200011214921 [1,1,0,0,0,0|2,0,0]=4 5548 B10R0.97 CC(O)CCCNCC(=O)N 2230a_100000711301_200000718107 [1,1,0,0,0,0|1,0,0]=3 5549 B10R0.97 CC(O)CCCNCC(=O)O 269956a_100016091260_200000718107 [1,1,0,0,0,0|1,0,0]=3 5550 B10R0.97 CC(O)CCCSCC(=O)N 62a_100000747473_200000718107 [1,1,0,0,0,0|1,0,0]=3 5551 B10R0.97 CC(O)CCCSCC(=O)N 62a_200000718107_100000747473 [1,1,0,0,0,0|1,0,0]=3 5552 B10R0.97 CC(O)CCCSCC(=O)[O-] 62a_100020667443_200000718107 [1,1,0,0,0,0|1,0,1]=4 5553 B10R0.97 CC(O)CCCSCC(=O)[O-] 62a_200000718107_100020667443 [1,1,0,0,0,0|1,0,1]=4 5554 B10R0.97 CC(O)CCNCCC(=O)N 2230a_200000755665_100000744528 [1,1,0,0,0,0|1,0,0]=3 5555 B10R0.97 CC(O)CCNOCC(=O)O 269956a_100000106656_100012276601 [1,1,0,0,0,0|2,0,0]=4 5556 B10R0.97 CC(O)CCOCCC(=O)N 34a_100000757172_100012276601 [1,1,0,0,0,0|1,0,0]=3 5557 B10R0.97 CC(O)CCOCCC(=O)N 7a_100000757172_100012276601 [1,1,0,0,0,0|1,0,0]=3 5558 B10R0.97 CC(O)CCSCCC(=O)N 62a_100000744528_100012276601 [1,1,0,0,0,0|1,0,0]=3 5559 B10R0.97 CC(O)CCSCCC(=O)N 62a_100012276601_100000744528 [1,1,0,0,0,0|1,0,0]=3 5560 B10R0.97 CC(O)CNCCCC(=O)N 34a_100000210904_100102525003 [1,1,0,0,0,0|1,0,0]=3 5561 B10R0.97 CC(O)CNCCCC(=O)N 34a_100000739312_100011218427 [1,1,0,0,0,0|1,0,0]=3 5562 B10R0.97 CC(O)CNCCNC(=O)N 2230a_100000210904_200000034859 [1,1,0,0,0,0|2,0,0]=4 5563 B10R0.97 CC(O)CNCCNC(=O)N 34a_100020590234_100011218427 [1,1,0,0,0,0|2,0,0]=4 5564 B10R0.97 CC(O)CNCCOC(=O)N 34a_100000210904_200011214921 [1,1,0,0,0,0|2,0,0]=4 5565 B10R0.97 CC(O)COCCNC(=O)N 34a_100000181757_100011218427 [1,1,0,0,0,0|2,0,0]=4 5566 B10R0.97 CC(O)COCCOC(=O)N 7a_100000766696_100011218427 [1,1,0,0,0,0|2,0,0]=4 5567 B10R0.97 CC(O)CSCCCC(=O)N 62a_100011218427_100102525003 [1,1,0,0,0,0|1,0,0]=3 5568 B10R0.97 CC(O)CSCCCC(=O)N 62a_100102525003_100011218427 [1,1,0,0,0,0|1,0,0]=3 5569 B10R0.97 CC(O)CSCCNC(=O)N 62a_100011218427_200000034859 [1,1,0,0,0,0|2,0,0]=4 5570 B10R0.97 CC(O)CSCCNC(=O)N 62a_200000034859_100011218427 [1,1,0,0,0,0|2,0,0]=4 5571 B10R0.97 CC(O)CSCCOC(=O)N 62a_100011218427_200011214921 [1,1,0,0,0,0|2,0,0]=4 5572 B10R0.97 CC(O)CSCCOC(=O)N 62a_200011214921_100011218427 [1,1,0,0,0,0|2,0,0]=4 5573 B10R0.97 CN(C)CCCCCC(=O)N 2230a_100102631434_100009817443 [1,1,0,0,0,0|1,0,0]=3 5574 B10R0.97 CN(C)CCCCCC(=O)N 269982a_100102631434_100009817443 [1,1,0,0,0,0|1,0,0]=3 5575 B10R0.97 CN(C)CCCNCC(=O)O 269956a_100016091260_100000757444 [1,1,0,0,0,0|2,0,0]=4 5576 B10R0.97 CN(C)CCCSCC(=O)N 62a_100000747473_100000757444 [1,1,0,0,0,0|2,0,0]=4 5577 B10R0.97 CN(C)CCOCCC(=O)N 7a_100000757172_100000755713 [1,1,0,0,0,0|2,0,0]=4 5578 B10R0.97 CN(C)CCSCCC(=O)N 62a_100000744528_100000755713 [1,1,0,0,0,0|2,0,0]=4 5579 B10R0.97 CS(=O)CCCNCC(=O)N 2230a_200000753449_100000747473 [1,1,0,0,0,0|2,0,0]=4 5580 B10R0.97 C[C@@H](Cl)COCCCC(=O)N 34a_100016084084_100102525003 [1,1,0,0,0,0|1,0,0]=3 5581 B10R0.97 C[C@@H](Cl)COCCOC(=O)N 34a_100016084084_200011214921 [1,1,0,0,0,0|2,0,0]=4 5582 B10R0.97 C[C@@H](N)CCOCCC(=O)N 34a_100000706166_100000731001 [1,1,0,0,0,0|1,0,0]=3 5583 B10R0.97 C[C@@H](N)COCCCC(=O)N 34a_100000737577_100102525003 [1,1,0,0,0,0|1,0,0]=3 5584 B10R0.97 C[C@@H](N)COCCOC(=O)N 34a_100000737577_200011214921 [1,1,0,0,0,0|2,0,0]=4 5585 B10R0.97 C[C@@H](O)CNCCCC(=O)N 34a_100000739312_100009817552 [1,1,0,0,0,0|1,0,0]=3 5586 B10R0.97 C[C@@H](O)CNCCNC(=O)N 34a_100020590234_100009817552 [1,1,0,0,0,0|2,0,0]=4 5587 B10R0.97 C[C@@H](O)COCCNC(=O)N 34a_100000181757_100009817552 [1,1,0,0,0,0|2,0,0]=4 5588 B10R0.97 C[C@@H](O)COCCOC(=O)N 7a_100000766696_100009817552 [1,1,0,0,0,0|2,0,0]=4 5589 B10R0.97 C[C@@H](O)CSCCCC(=O)N 62a_100009817552_100102525003 [1,1,0,0,0,0|1,0,0]=3 5590 B10R0.97 C[C@@H](O)CSCCCC(=O)N 62a_100102525003_100009817552 [1,1,0,0,0,0|1,0,0]=3 5591 B10R0.97 C[C@@H](O)CSCCNC(=O)N 62a_100009817552_200000034859 [1,1,0,0,0,0|2,0,0]=4 5592 B10R0.97 C[C@@H](O)CSCCNC(=O)N 62a_200000034859_100009817552 [1,1,0,0,0,0|2,0,0]=4 5593 B10R0.97 C[C@@H](O)CSCCOC(=O)N 62a_100009817552_200011214921 [1,1,0,0,0,0|2,0,0]=4 5594 B10R0.97 C[C@@H](O)CSCCOC(=O)N 62a_200011214921_100009817552 [1,1,0,0,0,0|2,0,0]=4 5595 B10R0.97 NC(=O)CCCNCC(F)F 34a_100000739312_100011934356 [1,1,0,0,0,0|2,0,0]=4 5596 B10R0.97 NC(=O)CCCNCC(F)F 34a_100000765723_100102525003 [1,1,0,0,0,0|2,0,0]=4 5597 B10R0.97 NC(=O)CCCOCC(F)F 34a_100000743014_100102525003 [1,1,0,0,0,0|2,0,0]=4 5598 B10R0.97 NC(=O)CCCSCC(F)F 62a_100011934356_100102525003 [1,1,0,0,0,0|2,0,0]=4 5599 B10R0.97 NC(=O)CCCSCC(F)F 62a_100102525003_100011934356 [1,1,0,0,0,0|2,0,0]=4 5600 B10R0.97 NC(=O)CCOCCC(F)F 34a_100103093639_100000731001 [1,1,0,0,0,0|2,0,0]=4 5601 B10R0.71 C/C=C/CCOCCCCC 34a_100016278192_100000718602 [1,1,0,0,0,0|2,0,0]=4 5602 B10R0.71 C/C=C/COCCCCCC 34a_100000210259_100102629194 [1,1,0,0,0,0|2,0,0]=4 5603 B10R0.71 C/C=C/COCCCCCC 34a_100016270725_100000210314 [1,1,0,0,0,0|2,0,0]=4 5604 B10R0.71 C/C=C/COCCCCCC 7a_100000210259_100102629194 [1,1,0,0,0,0|2,0,0]=4 5605 B10R0.71 C/C=C/CSCCCCCC 62a_100000210314_100102629194 [1,1,0,0,0,0|2,0,0]=4 5606 B10R0.71 C/C=C/CSCCCCCC 62a_100102629194_100000210757 [1,1,0,0,0,0|2,0,0]=4 5607 B10R0.71 CC=CCCCOCCCC 34a_100020645299_100000210210 [1,1,0,0,0,0|2,0,0]=4 5608 B10R0.71 CC=CCNCCCCCC 2230a_100000210581_100000070051 [1,1,0,0,0,0|2,0,0]=4 5609 B10R0.71 CC=CCOCCCCCC 34a_100000210259_100000070051 [1,1,0,0,0,0|2,0,0]=4 5610 B10R0.71 CC=CCOCCCCCC 7a_100000210259_100000070051 [1,1,0,0,0,0|2,0,0]=4 5611 B10R0.71 CC=CCSCCCCCC 62a_100000070051_100000210757 [1,1,0,0,0,0|2,0,0]=4 5612 B10R0.71 CC=CCSCCCCCC 62a_100000210314_100000070051 [1,1,0,0,0,0|2,0,0]=4 5613 B10R0.71 CCCCCC/C=C/COC 34a_200016276170_200000210301 [1,1,0,0,0,0|1,0,1]=4 5614 B10R0.71 CCCCCC/C=C/COC 7a_200016276170_200000210301 [1,1,0,0,0,0|1,0,1]=4 5615 B10R0.71 CCCCCC/C=C/CO[13CH3] 34a_200016276170_200025704644 [1,1,0,0,0,0|1,0,1]=4 5616 B10R0.71 CCCCCC/C=C/CO[13CH3] 7a_200016276170_200025704644 [1,1,0,0,0,0|1,0,1]=4 5617 B10R0.71 CCCCCCCCCNC 2230a_100000212291_200000210301 [1,1,0,0,0,0|1,0,1]=4 5618 B10R0.71 CCCCCCCCCNC 2230a_106832991635_100011214924 [1,1,0,0,0,0|1,0,1]=4 5619 B10R0.71 CCCCCCCCCNC 34a_100000212291_200000210301 [1,1,0,0,0,0|1,0,1]=4 5620 B10R0.71 CCCCCCCCCNC 34a_100102657272_100011214924 [1,1,0,0,0,0|1,0,1]=4 5621 B10R0.71 CCCCCCCCCNC 7a_106832991635_100000210328 [1,1,0,0,0,0|1,0,1]=4 5622 B10R0.71 CCCCCCCCCN[13CH3] 2230a_100000212291_200025704644 [1,1,0,0,0,0|1,0,1]=4 5623 B10R0.71 CCCCCCCCCN[13CH3] 34a_100000212291_200025704644 [1,1,0,0,0,0|1,0,1]=4 5624 B10R0.71 CCCCCCCCCOC 34a_100000210712_200000210301 [1,1,0,0,0,0|1,0,1]=4 5625 B10R0.71 CCCCCCCCCOC 34a_100138415774_100011214924 [1,1,0,0,0,0|1,0,1]=4 5626 B10R0.71 CCCCCCCCCOC 7a_100000210712_200000210301 [1,1,0,0,0,0|1,0,1]=4 5627 B10R0.71 CCCCCCCCCO[13CH3] 34a_100000210712_200025704644 [1,1,0,0,0,0|1,0,1]=4 5628 B10R0.71 CCCCCCCCCO[13CH3] 7a_100000210712_200025704644 [1,1,0,0,0,0|1,0,1]=4 5629 B10R0.71 CCCCCCCCNCC 2230a_100000229939_100000210202 [1,1,0,0,0,0|1,0,1]=4 5630 B10R0.71 CCCCCCCCNCC 2230a_100015525214_100000210759 [1,1,0,0,0,0|1,0,1]=4 5631 B10R0.71 CCCCCCCCNCC 34a_100000229939_100000210202 [1,1,0,0,0,0|1,0,1]=4 5632 B10R0.71 CCCCCCCCNCF 34a_100000229939_100015361967 [1,1,0,0,0,0|1,0,1]=4 5633 B10R0.71 CCCCCCCNCCO 2230a_100000229938_100000211926 [1,1,0,0,0,0|1,0,1]=4 5634 B10R0.71 CCCCCCCNCCO 2230a_100016997473_100000210681 [1,1,0,0,0,0|1,0,1]=4 5635 B10R0.71 CCCCCCCNCCO 34a_100016990907_100000210614 [1,1,0,0,0,0|1,0,1]=4 5636 B10R0.71 CCCCCCCNCOC 2230a_100000229938_100000766300 [1,1,0,0,0,0|2,0,0]=4 5637 B10R0.71 CCCCCCCOCCO 34a_100000210272_100000211926 [1,1,0,0,0,0|1,0,1]=4 5638 B10R0.71 CCCCCCCOCCO 7a_100000210272_100000211926 [1,1,0,0,0,0|1,0,1]=4 5639 B10R0.71 CCCCCCCSCCO 62a_100000210614_100000211926 [1,1,0,0,0,0|1,0,1]=4 5640 B10R0.71 CCCCCCCSCCO 62a_100000211926_100000210316 [1,1,0,0,0,0|1,0,1]=4 5641 B10R0.71 CCCCCCCSCOC 62a_100000210614_100000766300 [1,1,0,0,0,0|2,0,0]=4 5642 B10R0.71 CCCCCCCSCOC 62a_100000766300_100000210316 [1,1,0,0,0,0|2,0,0]=4 5643 B10R0.71 CCCCCCNCCCO 2230a_100000210581_100000230001 [1,1,0,0,0,0|1,0,1]=4 5644 B10R0.71 CCCCCCOCCCO 34a_100000210259_100000230001 [1,1,0,0,0,0|1,0,1]=4 5645 B10R0.71 CCCCCCOCCCO 7a_100000210259_100011215043 [1,1,0,0,0,0|1,0,1]=4 5646 B10R0.71 CCCCCCSCCCO 62a_100000210314_100011215043 [1,1,0,0,0,0|1,0,1]=4 5647 B10R0.71 CCCCCCSCCCO 62a_100011215043_100000210757 [1,1,0,0,0,0|1,0,1]=4 5648 B10R0.71 CCCCCNCCCCO 2230a_100000209983_100000210776 [1,1,0,0,0,0|1,0,1]=4 5649 B10R0.71 CCCCCNCCCCO 2230a_100000750430_100000210326 [1,1,0,0,0,0|1,0,1]=4 5650 B10R0.71 CCCCCNCCCCO 34a_100000750430_100000718602 [1,1,0,0,0,0|1,0,1]=4 5651 B10R0.71 CCCCCOCCCCO 34a_100000210253_100011216708 [1,1,0,0,0,0|1,0,1]=4 5652 B10R0.71 CCCCCOCCCCO 7a_100000210253_100000210776 [1,1,0,0,0,0|1,0,1]=4 5653 B10R0.71 CCCCCOCCCNC 34a_100000213112_100000718602 [1,1,0,0,0,0|1,0,1]=4 5654 B10R0.71 CCCCCSCCCCO 62a_100000210326_100000210776 [1,1,0,0,0,0|1,0,1]=4 5655 B10R0.71 CCCCCSCCCCO 62a_100000210776_100000210326 [1,1,0,0,0,0|1,0,1]=4 5656 B10R0.71 CCCCNCCCCCO 2230a_100000102301_100000746330 [1,1,0,0,0,0|1,0,1]=4 5657 B10R0.71 CCCCNCCCCCO 2230a_100000762737_100000210211 [1,1,0,0,0,0|1,0,1]=4 5658 B10R0.71 CCCCNCCCCCO 34a_100000762737_100000210210 [1,1,0,0,0,0|1,0,1]=4 5659 B10R0.71 CCCCNCCCCCO 7a_106832991798_100000746330 [1,1,0,0,0,0|1,0,1]=4 5660 B10R0.71 CCCCOCCCCCO 34a_100000210227_100000746330 [1,1,0,0,0,0|1,0,1]=4 5661 B10R0.71 CCCCOCCCCCO 7a_100000210227_100000746330 [1,1,0,0,0,0|1,0,1]=4 5662 B10R0.71 CCCCSCCCCCO 62a_100000210211_100000746330 [1,1,0,0,0,0|1,0,1]=4 5663 B10R0.71 CCCCSCCCCCO 62a_100000746330_100000210210 [1,1,0,0,0,0|1,0,1]=4 5664 B10R0.71 CCCNCCCCCCO 2230a_100000686447_100000210303 [1,1,0,0,0,0|1,0,1]=4 5665 B10R0.71 CCCNCCCCCCO 34a_100000686447_100000210303 [1,1,0,0,0,0|1,0,1]=4 5666 B10R0.71 CCCOCCCCCCO 34a_100000210258_100000766143 [1,1,0,0,0,0|1,0,1]=4 5667 B10R0.71 CCCOCCCCCNC 34a_100000722520_100000210303 [1,1,0,0,0,0|1,0,1]=4 5668 B10R0.71 CCCSCCCCCCO 62a_100000210303_100000766143 [1,1,0,0,0,0|1,0,1]=4 5669 B10R0.71 CCCSCCCCCCO 62a_100000766143_100000210303 [1,1,0,0,0,0|1,0,1]=4 5670 B10R0.71 CCNCCCCCCCO 2230a_100011996573_100000210202 [1,1,0,0,0,0|1,0,1]=4 5671 B10R0.71 CCNCCCCCCCO 2230a_100015525214_100000760002 [1,1,0,0,0,0|1,0,1]=4 5672 B10R0.71 CCNCCCCCCCO 34a_100011996573_100000210202 [1,1,0,0,0,0|1,0,1]=4 5673 B10R0.71 CCOCCCCCCCO 34a_100121572206_100000760002 [1,1,0,0,0,0|1,0,1]=4 5674 B10R0.71 CCSCCCCCCCO 62a_100000210202_100000760002 [1,1,0,0,0,0|1,0,1]=4 5675 B10R0.71 CCSCCCCCCCO 62a_100000760002_100000210202 [1,1,0,0,0,0|1,0,1]=4 5676 B10R0.71 CNCCCCCCCCO 2230a_102515433106_200000210301 [1,1,0,0,0,0|1,0,1]=4 5677 B10R0.71 CNCCCCCCCCO 2230a_106832991635_100000033203 [1,1,0,0,0,0|1,0,1]=4 5678 B10R0.71 CNCCCCCCCCO 34a_100102657272_100000033203 [1,1,0,0,0,0|1,0,1]=4 5679 B10R0.71 CNCCCCCCCCO 34a_102515433106_200000210301 [1,1,0,0,0,0|1,0,1]=4 5680 B10R0.71 CNCCCCCCCCO 7a_106832991635_100000033203 [1,1,0,0,0,0|1,0,1]=4 5681 B10R0.71 COCCCCCCCCO 34a_100138415774_100000033203 [1,1,0,0,0,0|1,0,1]=4 5682 B10R0.71 CSCCCCCCCCO 62a_100000033203_200000210301 [1,1,0,0,0,0|1,0,1]=4 5683 B10R0.71 CSCCCCCCCCO 62a_200000210301_100000033203 [1,1,0,0,0,0|1,0,1]=4 5684 B10R0.71 [13CH3]NCCCCCCCCO 2230a_102515433106_200025704644 [1,1,0,0,0,0|1,0,1]=4 5685 B10R0.71 [13CH3]NCCCCCCCCO 34a_102515433106_200025704644 [1,1,0,0,0,0|1,0,1]=4 5686 B10R0.71 [13CH3]SCCCCCCCCO 62a_100000033203_200025704644 [1,1,0,0,0,0|1,0,1]=4 5687 B10R0.71 [13CH3]SCCCCCCCCO 62a_200025704644_100000033203 [1,1,0,0,0,0|1,0,1]=4 5688 B10R0.18 CCCCC(=O)CC(=O)NC 1458a_100000210183_100000183359 [1,1,0,0,0,0|1,0,1]=4 5689 B10R0.18 CCCCC(C)NC(=O)CO 240690a_100000126638_100000210174 [1,1,0,0,0,0|2,0,0]=4 5690 B10R0.18 CCCCC(C)NC(=O)CO 527a_100000126638_100000210174 [1,1,0,0,0,0|2,0,0]=4 5691 B10R0.18 CCCCC(C)NC(=O)NC 2708a_100000126638_106832991635 [1,1,0,0,0,0|2,0,0]=4 5692 B10R0.18 CCCCC(C)NC(=O)NC 2708a_100102657272_100000126638 [1,1,0,0,0,0|2,0,0]=4 5693 B10R0.18 CCCCC(C)NC(=O)NC 273464a_100000126638_100102657272 [1,1,0,0,0,0|2,0,0]=4 5694 B10R0.18 CCCCC(C)NC(=O)NC 273464a_100102657272_100000126638 [1,1,0,0,0,0|2,0,0]=4 5695 B10R0.18 CCCCC(C)NC(=O)NC 512a_100000126638_100102657272 [1,1,0,0,0,0|2,0,0]=4 5696 B10R0.18 CCCCC(C)NC(=O)NC 512a_106832991638_100000126638 [1,1,0,0,0,0|2,0,0]=4 5697 B10R0.18 CCCCN(C)CC(=O)NC 2230a_100000189611_100000210211 [1,1,0,0,0,0|2,0,0]=4 5698 B10R0.18 CCCCN(C)CC(=O)NC 2230a_100000207549_100000183359 [1,1,0,0,0,0|2,0,0]=4 5699 B10R0.18 CCCCN(C)CC(=O)NC 269982a_100000207549_100000183359 [1,1,0,0,0,0|2,0,0]=4 5700 B10R0.59 CCC(=O)CCCC(=O)NC 1458a_100000210414_100000741757 [1,1,0,0,0,0|1,0,1]=4 5701 B10R0.59 CCC(C)CCNC(=O)CO 240690a_100020591266_100000210174 [1,1,0,0,0,0|2,0,0]=4 5702 B10R0.59 CCC(C)CCNC(=O)CO 527a_100020591266_100000210174 [1,1,0,0,0,0|2,0,0]=4 5703 B10R0.59 CCC(C)CCNC(=O)NC 2708a_100020591266_106832991635 [1,1,0,0,0,0|2,0,0]=4 5704 B10R0.59 CCC(C)CCNC(=O)NC 2708a_100102657272_100020591266 [1,1,0,0,0,0|2,0,0]=4 5705 B10R0.59 CCC(C)CCNC(=O)NC 273464a_100020591266_100102657272 [1,1,0,0,0,0|2,0,0]=4 5706 B10R0.59 CCC(C)CCNC(=O)NC 273464a_100102657272_100020591266 [1,1,0,0,0,0|2,0,0]=4 5707 B10R0.59 CCC(C)CCNC(=O)NC 512a_100020591266_100102657272 [1,1,0,0,0,0|2,0,0]=4 5708 B10R0.59 CCC(C)CCNC(=O)NC 512a_106832991638_100020591266 [1,1,0,0,0,0|2,0,0]=4 5709 B10R0.59 CCC(C)CNCC(=O)NC 2230a_100000693194_100000748023 [1,1,0,0,0,0|2,0,0]=4 5710 B10R0.59 CCC(C)CNCC(=O)NC 2230a_100020588543_100000183359 [1,1,0,0,0,0|2,0,0]=4 5711 B10R0.59 CCC(C)CNCC(=O)NC 270004a_100000693194_100000243153 [1,1,0,0,0,0|2,0,0]=4 5712 B10R0.59 CCC(C)COCC(=O)NC 34a_100000750040_100000748023 [1,1,0,0,0,0|2,0,0]=4 5713 B10R0.59 CCC(C)CSCC(=O)NC 62a_100000183359_100000748023 [1,1,0,0,0,0|2,0,0]=4 5714 B10R0.59 CCC(C)CSCC(=O)NC 62a_100000748023_100000183359 [1,1,0,0,0,0|2,0,0]=4 5715 B10R0.59 CCC(C)NCCC(=O)NC 2230a_100000209981_100000737683 [1,1,0,0,0,0|2,0,0]=4 5716 B10R0.59 CCC(C)NCCC(=O)NC 2230a_100000738227_100000758301 [1,1,0,0,0,0|2,0,0]=4 5717 B10R0.59 CCC(C)NCCC(=O)NC 34a_100000738227_100011215416 [1,1,0,0,0,0|2,0,0]=4 5718 B10R0.59 CCC(C)OCCC(=O)NC 34a_100000754576_100011215416 [1,1,0,0,0,0|2,0,0]=4 5719 B10R0.59 CCC(C)OCCC(=O)NC 7a_100000210228_100000737683 [1,1,0,0,0,0|2,0,0]=4 5720 B10R0.59 CCC(C)SCCC(=O)NC 62a_100000737683_100000758301 [1,1,0,0,0,0|2,0,0]=4 5721 B10R0.59 CCC(C)SCCC(=O)NC 62a_100000758301_100000737683 [1,1,0,0,0,0|2,0,0]=4 5722 B10R0.59 CCC(O)CNCC(=O)NC 2230a_100000693194_100011218378 [1,1,0,0,0,0|2,0,0]=4 5723 B10R0.59 CCC(O)CNCC(=O)NC 2230a_100011218483_100000183359 [1,1,0,0,0,0|2,0,0]=4 5724 B10R0.59 CCC(O)COCC(=O)NC 34a_100000750040_100011218378 [1,1,0,0,0,0|2,0,0]=4 5725 B10R0.59 CCC(O)CSCC(=O)NC 62a_100000183359_100011218378 [1,1,0,0,0,0|2,0,0]=4 5726 B10R0.59 CCC(O)CSCC(=O)NC 62a_100011218378_100000183359 [1,1,0,0,0,0|2,0,0]=4 5727 B10R0.59 CCN(C)CCCC(=O)CO 1458a_100000210174_100015186262 [1,1,0,0,0,0|2,0,0]=4 5728 B10R0.59 CCN(C)CCCC(=O)NC 2230a_100000225621_100000741757 [1,1,0,0,0,0|2,0,0]=4 5729 B10R0.59 CCN(C)CCCC(=O)NC 269982a_100000225621_100000741757 [1,1,0,0,0,0|2,0,0]=4 5730 B10R0.59 CC[C@H](C)CNCC(=O)NC 2230a_100000693194_100009816398 [1,1,0,0,0,0|2,0,0]=4 5731 B10R0.59 CC[C@H](C)COCC(=O)NC 34a_100000750040_100009816398 [1,1,0,0,0,0|2,0,0]=4 5732 B10R0.59 CC[C@H](C)COCC(=O)NC 7a_100009816381_100000183359 [1,1,0,0,0,0|2,0,0]=4 5733 B10R0.59 CC[C@H](C)CSCC(=O)NC 62a_100000183359_100009816398 [1,1,0,0,0,0|2,0,0]=4 5734 B10R0.59 CC[C@H](C)CSCC(=O)NC 62a_100009816398_100000183359 [1,1,0,0,0,0|2,0,0]=4 5735 B10R0.62 CCCCCCS(=O)(=O)NC 270084a_100102657272_100011361803 [1,1,0,0,0,0|2,0,0]=4 5736 B10R0.62 CCCCCCS(=O)(=O)NC 274078a_100102657272_100011361803 [1,1,0,0,0,0|2,0,0]=4 5737 B10R0.83 C#CC(=O)C(C)CCCCC 1458a_100000211873_200011218191 [1,1,0,0,0,0|2,0,0]=4 5738 B10R0.83 C=CC(=O)C(C)CCCCC 1458a_100000185746_200011218191 [1,1,0,0,0,0|2,0,0]=4 5739 B10R0.83 CCCCCC(=O)C(=O)NC 1458a_100011218921_100000210326 [1,1,0,0,0,0|1,0,1]=4 5740 B10R0.83 CCCCCC(C)C(=O)CC 1458a_100000210414_200011218191 [1,1,0,0,0,0|2,0,0]=4 5741 B10R0.83 CCCCCC(C)C(=O)CC 1458a_100011215998_100000210202 [1,1,0,0,0,0|2,0,0]=4 5742 B10R0.83 CCCCCC(C)C(=O)CF 1458a_100011215998_100015361967 [1,1,0,0,0,0|2,0,0]=4 5743 B10R0.83 CCCCCC(C)C(=O)CO 1458a_100000210174_200011218191 [1,1,0,0,0,0|1,0,0]=3 5744 B10R0.83 CCCCCC(C)C(=O)NC 11a_106832991635_100011215998 [1,1,0,0,0,0|1,0,0]=3 5745 B10R0.83 CCCCCC(C)C(=O)NC 1626a_100102657272_100011215998 [1,1,0,0,0,0|1,0,0]=3 5746 B10R0.83 CCCCCC(C)C(=O)NC 240690a_100102657272_100011215998 [1,1,0,0,0,0|1,0,0]=3 5747 B10R0.83 CCCCCC(C)C(=O)NC 527a_100102657272_100011215998 [1,1,0,0,0,0|1,0,0]=3 5748 B10R0.83 CCCCCN(C)C(=O)CO 240690a_100000223495_100000210174 [1,1,0,0,0,0|2,0,0]=4 5749 B10R0.83 CCCCCN(C)C(=O)CO 527a_100000223495_100000210174 [1,1,0,0,0,0|2,0,0]=4 5750 B10R0.83 CCCCCN(C)C(=O)NC 2708a_100102657272_100000223495 [1,1,0,0,0,0|2,0,0]=4 5751 B10R0.83 CCCCCN(C)C(=O)NC 273464a_100102657272_100000223495 [1,1,0,0,0,0|2,0,0]=4 5752 B10R0.83 CCCCNC(C)C(=O)NC 2230a_100000102301_100000731044 [1,1,0,0,0,0|2,0,0]=4 5753 B10R0.83 CCCCNC(C)C(=O)NC 7a_106832991798_100000209862 [1,1,0,0,0,0|2,0,0]=4 5754 B10R0.83 CCCCNC(F)C(=O)NC 2230a_100000102301_100009813575 [1,1,0,0,0,0|2,0,0]=4 5755 B10R0.83 CCCCNC(F)C(=O)NC 7a_106832991798_100009813575 [1,1,0,0,0,0|2,0,0]=4 5756 B10R0.83 CCCCN[C@H](C)C(=O)NC 2230a_100000684985_100000210211 [1,1,0,0,0,0|2,0,0]=4 5757 B10R0.83 CCCCN[C@H](C)C(=O)NC 34a_100000684985_100000210210 [1,1,0,0,0,0|2,0,0]=4 5758 B10R0.83 CCCCOC(C)C(=O)NC 34a_100000210227_100000731044 [1,1,0,0,0,0|2,0,0]=4 5759 B10R0.83 CCCCOC(C)C(=O)NC 7a_100000210227_100000209862 [1,1,0,0,0,0|2,0,0]=4 5760 B10R0.83 CCCCOC(C)C(=O)NN 34a_100000725659_100000210210 [1,1,0,0,0,0|2,0,0]=4 5761 B10R0.83 CCCCOC(F)C(=O)NC 34a_100000210227_100009813575 [1,1,0,0,0,0|2,0,0]=4 5762 B10R0.83 CCCCOC(F)C(=O)NC 7a_100000210227_100009813575 [1,1,0,0,0,0|2,0,0]=4 5763 B10R0.83 CCCCSC(C)C(=O)NC 11a_106832991635_100000191163 [1,1,0,0,0,0|2,0,0]=4 5764 B10R0.83 CCCCSC(C)C(=O)NC 1626a_100102657272_100000191163 [1,1,0,0,0,0|2,0,0]=4 5765 B10R0.83 CCCCSC(C)C(=O)NC 240690a_100102657272_100000191163 [1,1,0,0,0,0|2,0,0]=4 5766 B10R0.83 CCCCSC(C)C(=O)NC 527a_100102657272_100000191163 [1,1,0,0,0,0|2,0,0]=4 5767 B10R0.83 CCCCSC(C)C(=O)NC 62a_100000209862_100000210210 [1,1,0,0,0,0|2,0,0]=4 5768 B10R0.83 CCCCSC(C)C(=O)NC 62a_100000210211_100000731044 [1,1,0,0,0,0|2,0,0]=4 5769 B10R0.83 CCCCSC(F)C(=O)NC 62a_100000210211_100009813575 [1,1,0,0,0,0|2,0,0]=4 5770 B10R0.83 CCCCSC(F)C(=O)NC 62a_100009813575_100000210210 [1,1,0,0,0,0|2,0,0]=4 5771 B10R0.83 CCCNCC(C)C(=O)NC 2230a_100015187722_100000210303 [1,1,0,0,0,0|2,0,0]=4 5772 B10R0.83 CCCNCC(C)C(=O)NC 34a_100015187722_100000210303 [1,1,0,0,0,0|2,0,0]=4 5773 B10R0.83 CCCOCC(N)C(=O)NN 34a_100016989258_100000210303 [1,1,0,0,0,0|2,0,0]=4 5774 B10R0.108 CCCC(=O)CCC(=O)NC 1458a_100011309844_100000210303 [1,1,0,0,0,0|1,0,1]=4 5775 B10R0.108 CCCC(C)NCC(=O)NC 2230a_100000693194_100000766640 [1,1,0,0,0,0|2,0,0]=4 5776 B10R0.108 CCCC(C)NCC(=O)NC 2230a_100000741246_100000183359 [1,1,0,0,0,0|2,0,0]=4 5777 B10R0.108 CCCC(C)NCC(=O)NC 270004a_100000693194_100000211909 [1,1,0,0,0,0|2,0,0]=4 5778 B10R0.108 CCCC(C)OCC(=O)NC 34a_100000750040_100000766640 [1,1,0,0,0,0|2,0,0]=4 5779 B10R0.108 CCCC(C)OCC(=O)NC 34a_100000764384_100000183359 [1,1,0,0,0,0|2,0,0]=4 5780 B10R0.108 CCCC(C)OCC(=O)NC 7a_100000764384_100000183359 [1,1,0,0,0,0|2,0,0]=4 5781 B10R0.108 CCCC(C)SCC(=O)NC 62a_100000183359_100000766640 [1,1,0,0,0,0|2,0,0]=4 5782 B10R0.108 CCCC(C)SCC(=O)NC 62a_100000766640_100000183359 [1,1,0,0,0,0|2,0,0]=4 5783 B10R0.108 CCCN(C)CCC(=O)NC 2230a_100000747261_100000737683 [1,1,0,0,0,0|2,0,0]=4 5784 B10R0.108 CCCN(C)CCC(=O)NC 2230a_100000750875_100000210303 [1,1,0,0,0,0|2,0,0]=4 5785 B10R0.108 CCCN(C)CCC(=O)NC 269982a_100000747261_100000737683 [1,1,0,0,0,0|2,0,0]=4 5786 B10R0.108 CCCN(C)CCC(=O)NC 269982a_100000750875_100000210303 [1,1,0,0,0,0|2,0,0]=4 5787 B12R0.1 C#CCC(=O)CCCCCCCC 1458a_100000210188_100000184674 [0,2,0,0,0,0|2,0,0]=4 5788 B12R0.1 C#CCC(=O)CCCCCCCC 1458a_100011220946_100000210759 [0,2,0,0,0,0|2,0,0]=4 5789 B12R0.1 C#CCC(=O)CCCCCCCO 1458a_100011219782_100000184674 [0,2,0,0,0,0|2,0,0]=4 5790 B12R0.1 C#CCC(=O)CCCCCCCO 1458a_100011220946_100000760002 [0,2,0,0,0,0|2,0,0]=4 5791 B12R0.1 C#CCC(=O)CCCCCCOC 1458a_100011220946_100011998445 [0,2,0,0,0,0|2,0,0]=4 5792 B12R0.1 C#CCC(=O)NCCCCCCC 1626a_100000229938_100011220946 [0,2,0,0,0,0|2,0,0]=4 5793 B12R0.1 C#CCC(=O)NCCCCCCC 527a_100000229938_100011220946 [0,2,0,0,0,0|2,0,0]=4 5794 B12R0.1 C#CCCCCCCC(=O)CCO 1458a_100000034748_100000211926 [0,2,0,0,0,0|1,0,1]=4 5795 B12R0.1 C#CCCCCCCC(=O)CCO 1458a_100011216618_100012276617 [0,2,0,0,0,0|1,0,1]=4 5796 B12R0.1 C#CCCCCCCC(=O)COC 1458a_100000210968_100012276617 [0,2,0,0,0,0|1,0,1]=4 5797 B12R0.1 C#CCCCCCCC(=O)NCC 11a_100015525214_100000034748 [0,2,0,0,0,0|1,0,1]=4 5798 B12R0.1 C#CCCCCCCC(=O)NCC 240690a_100015525214_100000034748 [0,2,0,0,0,0|1,0,1]=4 5799 B12R0.1 C#CCCCCCCC(=O)NCC 527a_100015525214_100000034748 [0,2,0,0,0,0|1,0,1]=4 5800 B12R0.1 C#CCCCCCCC(=O)NNC 22a_100016993582_100000034748 [0,2,0,0,0,0|1,0,1]=4 5801 B12R0.1 C#CCCCCNCC(=O)NCO 2230a_100000706060_100000185155 [0,2,0,0,0,0|0,0,2]=4 5802 B12R0.1 C#CCCCCNCC(=O)NCO 34a_100000706060_100000185155 [0,2,0,0,0,0|0,0,2]=4 5803 B12R0.1 C#CCCCCOCC(=O)NCO 34a_100000766709_100000185155 [0,2,0,0,0,0|0,0,2]=4 5804 B12R0.1 C#CCCCCOCC(=O)NCO 7a_100000766709_100000185155 [0,2,0,0,0,0|0,0,2]=4 5805 B12R0.1 C#CCCCCSCC(=O)NCO 62a_100000185155_100010269958 [0,2,0,0,0,0|0,0,2]=4 5806 B12R0.1 C#CCCCCSCC(=O)NCO 62a_100010269958_100000185155 [0,2,0,0,0,0|0,0,2]=4 5807 B12R0.1 C=CCC(=O)CCCCCCCC 1458a_100000210188_100000210623 [0,2,0,0,0,0|2,0,0]=4 5808 B12R0.1 C=CCC(=O)CCCCCCCC 1458a_100000210193_100000210759 [0,2,0,0,0,0|2,0,0]=4 5809 B12R0.1 C=CCC(=O)CCCCCCCO 1458a_100000210193_100000760002 [0,2,0,0,0,0|2,0,0]=4 5810 B12R0.1 C=CCC(=O)CCCCCCCO 1458a_100011219782_100000210623 [0,2,0,0,0,0|2,0,0]=4 5811 B12R0.1 C=CCC(=O)CCCCCCOC 1458a_100000210193_100011998445 [0,2,0,0,0,0|2,0,0]=4 5812 B12R0.1 C=CCC(=O)NCCCCCCC 11a_100000229938_100000210193 [0,2,0,0,0,0|2,0,0]=4 5813 B12R0.1 C=CCC(=O)NCCCCCCC 1626a_100000229938_100000210193 [0,2,0,0,0,0|2,0,0]=4 5814 B12R0.1 C=CCC(=O)NCCCCCCC 240690a_100000229938_100000210193 [0,2,0,0,0,0|2,0,0]=4 5815 B12R0.1 C=CCC(=O)NCCCCCCC 527a_100000229938_100000210193 [0,2,0,0,0,0|2,0,0]=4 5816 B12R0.1 C=CCCCCCCC(=O)CCO 1458a_100011216618_100011215473 [0,2,0,0,0,0|1,0,1]=4 5817 B12R0.1 C=CCCCCCCC(=O)CCO 1458a_100011809334_100000211926 [0,2,0,0,0,0|1,0,1]=4 5818 B12R0.1 C=CCCCCCCC(=O)COC 1458a_100000210968_100011215473 [0,2,0,0,0,0|1,0,1]=4 5819 B12R0.1 C=CCCCCCCC(=O)NCC 11a_100015525214_100011809334 [0,2,0,0,0,0|1,0,1]=4 5820 B12R0.1 C=CCCCCCCC(=O)NCC 240690a_100015525214_100011809334 [0,2,0,0,0,0|1,0,1]=4 5821 B12R0.1 C=CCCCCCCC(=O)NCC 527a_100015525214_100011809334 [0,2,0,0,0,0|1,0,1]=4 5822 B12R0.1 C=CCCCCCCC(=O)NNC 22a_100016993582_100011809334 [0,2,0,0,0,0|1,0,1]=4 5823 B12R0.1 C=CCCCCNCC(=O)NCO 2230a_100000703577_100000185155 [0,2,0,0,0,0|0,0,2]=4 5824 B12R0.1 C=CCCCCNCC(=O)NCO 34a_100000703577_100000185155 [0,2,0,0,0,0|0,0,2]=4 5825 B12R0.1 C=CCCCCOCC(=O)NCO 34a_100000766645_100000185155 [0,2,0,0,0,0|0,0,2]=4 5826 B12R0.1 C=CCCCCOCC(=O)NCO 7a_100000766645_100000185155 [0,2,0,0,0,0|0,0,2]=4 5827 B12R0.1 C=CCCCCSCC(=O)NCO 62a_100000185155_100011215482 [0,2,0,0,0,0|0,0,2]=4 5828 B12R0.1 C=CCCCCSCC(=O)NCO 62a_100011215482_100000185155 [0,2,0,0,0,0|0,0,2]=4 5829 B12R0.1 C=COC(=O)CNCCCCCC 2230a_100000210581_100000036128 [0,2,0,0,0,0|2,0,0]=4 5830 B12R0.1 C=COC(=O)COCCCCCC 34a_100000210259_100000036128 [0,2,0,0,0,0|2,0,0]=4 5831 B12R0.1 C=COC(=O)CSCCCCCC 62a_100000036128_100000210757 [0,2,0,0,0,0|2,0,0]=4 5832 B12R0.1 C=COC(=O)CSCCCCCC 62a_100000210314_100000036128 [0,2,0,0,0,0|2,0,0]=4 5833 B12R0.1 CC#CC(=O)CCCCCCCC 1458a_100000763181_100000210759 [0,2,0,0,0,0|2,0,0]=4 5834 B12R0.1 CC#CC(=O)CCCCCCCO 1458a_100000763181_100000760002 [0,2,0,0,0,0|2,0,0]=4 5835 B12R0.1 CC#CC(=O)CCCCCCOC 1458a_100000763181_100011998445 [0,2,0,0,0,0|2,0,0]=4 5836 B12R0.1 CC/C=C\CCOCC(=O)NCO 34a_100016288707_100000185155 [0,2,0,0,0,0|0,0,2]=4 5837 B12R0.1 CC/C=C\CCOCC(=O)NCO 7a_100016288707_100000185155 [0,2,0,0,0,0|0,0,2]=4 5838 B12R0.1 CC/C=C\CCSCC(=O)NCO 62a_100000185155_100015370543 [0,2,0,0,0,0|0,0,2]=4 5839 B12R0.1 CC/C=C\CCSCC(=O)NCO 62a_100015370543_100000185155 [0,2,0,0,0,0|0,0,2]=4 5840 B12R0.1 CC=CC(=O)CCCCCCCC 1458a_100000210699_100000210759 [0,2,0,0,0,0|2,0,0]=4 5841 B12R0.1 CC=CC(=O)CCCCCCCO 1458a_100000210699_100000760002 [0,2,0,0,0,0|2,0,0]=4 5842 B12R0.1 CC=CC(=O)CCCCCCOC 1458a_100000210699_100011998445 [0,2,0,0,0,0|2,0,0]=4 5843 B12R0.1 CC=CC(=O)NCCCCCCC 11a_100000229938_100000210699 [0,2,0,0,0,0|2,0,0]=4 5844 B12R0.1 CC=CC(=O)NCCCCCCC 1626a_100000229938_100000210699 [0,2,0,0,0,0|2,0,0]=4 5845 B12R0.1 CC=CC(=O)NCCCCCCC 240690a_100000229938_100000210699 [0,2,0,0,0,0|2,0,0]=4 5846 B12R0.1 CC=CCCCOCC(=O)NCO 34a_100020645299_100000185155 [0,2,0,0,0,0|0,0,2]=4 5847 B12R0.1 CCC#CCCOCC(=O)NCO 34a_100000036655_100000185155 [0,2,0,0,0,0|0,0,2]=4 5848 B12R0.1 CCC#CCCOCC(=O)NCO 7a_100000036655_100000185155 [0,2,0,0,0,0|0,0,2]=4 5849 B12R0.1 CCC/C=C/COCC(=O)NCO 34a_100016278788_100000185155 [0,2,0,0,0,0|0,0,2]=4 5850 B12R0.1 CCC/C=C/COCC(=O)NCO 7a_100016278788_100000185155 [0,2,0,0,0,0|0,0,2]=4 5851 B12R0.1 CCCC#CCOCC(=O)NCO 34a_100000034806_100000185155 [0,2,0,0,0,0|0,0,2]=4 5852 B12R0.1 CCCC#CCOCC(=O)NCO 7a_100000034806_100000185155 [0,2,0,0,0,0|0,0,2]=4 5853 B12R0.1 CCCC(=O)CCCCCCCO 1458a_100000211992_100000760002 [0,2,0,0,0,0|2,0,0]=4 5854 B12R0.1 CCCC(=O)CCCCCCCO 1458a_100011219782_100000210303 [0,2,0,0,0,0|2,0,0]=4 5855 B12R0.1 CCCC(=O)CCCCCCOC 1458a_100000211992_100011998445 [0,2,0,0,0,0|2,0,0]=4 5856 B12R0.1 CCCCC/C=C/CC(=O)CCO 1458a_100020675968_100000211926 [0,2,0,0,0,0|1,0,1]=4 5857 B12R0.1 CCCCC/C=C/CC(=O)NCC 11a_100015525214_100020675968 [0,2,0,0,0,0|1,0,1]=4 5858 B12R0.1 CCCCC/C=C/CC(=O)NCC 240690a_100015525214_100020675968 [0,2,0,0,0,0|1,0,1]=4 5859 B12R0.1 CCCCC/C=C/CC(=O)NNC 22a_100016993582_100020675968 [0,2,0,0,0,0|1,0,1]=4 5860 B12R0.1 CCCCCC#CCC(=O)CCO 1458a_100011216618_100009816472 [0,2,0,0,0,0|1,0,1]=4 5861 B12R0.1 CCCCCC#CCC(=O)COC 1458a_100000210968_100009816472 [0,2,0,0,0,0|1,0,1]=4 5862 B12R0.1 CCCCCCC=CC(=O)CCO 1458a_200015324643_100000211926 [0,2,0,0,0,0|1,0,1]=4 5863 B12R0.1 CCCCCCC=CC(=O)NCC 11a_100015525214_200015324643 [0,2,0,0,0,0|1,0,1]=4 5864 B12R0.1 CCCCCCC=CC(=O)NCC 240690a_100015525214_200015324643 [0,2,0,0,0,0|1,0,1]=4 5865 B12R0.1 CCCCCCC=CC(=O)NNC 22a_100016993582_200015324643 [0,2,0,0,0,0|1,0,1]=4 5866 B12R0.1 CCCCCCCCC(=O)C=CBr 1458a_100016273825_100000210759 [0,2,0,0,0,0|2,0,0]=4 5867 B12R0.1 CCCCCCCCC(=O)C=CCl 1458a_200016279998_100000210759 [0,2,0,0,0,0|2,0,0]=4 5868 B12R0.1 CCCCCCCCC(=O)C=CI 1458a_100016256311_100000210759 [0,2,0,0,0,0|2,0,0]=4 5869 B12R0.1 CCCCCCCCC(=O)CC#N 1458a_100000210188_100011214920 [0,2,0,0,0,0|2,0,0]=4 5870 B12R0.1 CCCCCCCCC(=O)CC#N 1458a_100051588842_100000210759 [0,2,0,0,0,0|2,0,0]=4 5871 B12R0.1 CCCCCCCCC(=O)CCC 1458a_100000210188_100000210303 [0,2,0,0,0,0|2,0,0]=4 5872 B12R0.1 CCCCCCCCC(=O)CCC 1458a_100000211992_100000210759 [0,2,0,0,0,0|2,0,0]=4 5873 B12R0.1 CCCCCCCCC(=O)CCF 1458a_100000210188_100011217306 [0,2,0,0,0,0|2,0,0]=4 5874 B12R0.1 CCCCCCCCC(=O)CCO 1458a_100000210188_100000211926 [0,2,0,0,0,0|1,0,0]=3 5875 B12R0.1 CCCCCCCCC(=O)CCO 1458a_100011216618_100000210759 [0,2,0,0,0,0|1,0,0]=3 5876 B12R0.1 CCCCCCCCC(=O)COC 1458a_100000210968_100000210759 [0,2,0,0,0,0|1,0,0]=3 5877 B12R0.1 CCCCCCCCC(=O)CSC 1458a_100000184570_100000210759 [0,2,0,0,0,0|1,1,0]=4 5878 B12R0.1 CCCCCCCCC(=O)NCC 11a_100015525214_100000210188 [0,2,0,0,0,0|1,0,0]=3 5879 B12R0.1 CCCCCCCCC(=O)NCC 240690a_100015525214_100000210188 [0,2,0,0,0,0|1,0,0]=3 5880 B12R0.1 CCCCCCCCC(=O)NCC 527a_100015525214_100000210188 [0,2,0,0,0,0|1,0,0]=3 5881 B12R0.1 CCCCCCCCC(=O)NNC 22a_100016993582_100000210188 [0,2,0,0,0,0|1,0,0]=3 5882 B12R0.1 CCCCCCCNC(=O)C=CBr 1626a_100000229938_100016273825 [0,2,0,0,0,0|2,0,0]=4 5883 B12R0.1 CCCCCCCNC(=O)C=CBr 240690a_100000229938_100016273825 [0,2,0,0,0,0|2,0,0]=4 5884 B12R0.1 CCCCCCCNC(=O)C=CCl 11a_100000229938_200016279998 [0,2,0,0,0,0|2,0,0]=4 5885 B12R0.1 CCCCCCCNC(=O)C=CCl 1626a_100000229938_200016279998 [0,2,0,0,0,0|2,0,0]=4 5886 B12R0.1 CCCCCCCNC(=O)C=CCl 240690a_100000229938_200016279998 [0,2,0,0,0,0|2,0,0]=4 5887 B12R0.1 CCCCCCCNC(=O)C=CI 1626a_100000229938_100016256311 [0,2,0,0,0,0|2,0,0]=4 5888 B12R0.1 CCCCCCCNC(=O)CC#N 1626a_100000229938_100051588842 [0,2,0,0,0,0|2,0,0]=4 5889 B12R0.1 CCCCCCCNC(=O)CC#N 240690a_100000229938_100051588842 [0,2,0,0,0,0|2,0,0]=4 5890 B12R0.1 CCCCCCCNC(=O)CCC 11a_100000229938_100000211992 [0,2,0,0,0,0|2,0,0]=4 5891 B12R0.1 CCCCCCCNC(=O)CCC 1626a_100000229938_100000211992 [0,2,0,0,0,0|2,0,0]=4 5892 B12R0.1 CCCCCCCNC(=O)CCC 240690a_100000229938_100000211992 [0,2,0,0,0,0|2,0,0]=4 5893 B12R0.1 CCCCCCCNC(=O)CCC 527a_100000229938_100000211992 [0,2,0,0,0,0|2,0,0]=4 5894 B12R0.1 CCCCCCCNC(=O)CCO 240690a_100000229938_100011216618 [0,2,0,0,0,0|1,0,0]=3 5895 B12R0.1 CCCCCCCNC(=O)COC 11a_100000229938_100000210968 [0,2,0,0,0,0|1,0,0]=3 5896 B12R0.1 CCCCCCCNC(=O)COC 1626a_100000229938_100000210968 [0,2,0,0,0,0|1,0,0]=3 5897 B12R0.1 CCCCCCCNC(=O)COC 240690a_100000229938_100000210968 [0,2,0,0,0,0|1,0,0]=3 5898 B12R0.1 CCCCCCCNC(=O)COC 527a_100000229938_100000210968 [0,2,0,0,0,0|1,0,0]=3 5899 B12R0.1 CCCCCCCNC(=O)CSC 11a_100000229938_100000184570 [0,2,0,0,0,0|1,1,0]=4 5900 B12R0.1 CCCCCCCNC(=O)CSC 1626a_100000229938_100000184570 [0,2,0,0,0,0|1,1,0]=4 5901 B12R0.1 CCCCCCCNC(=O)CSC 240690a_100000229938_100000184570 [0,2,0,0,0,0|1,1,0]=4 5902 B12R0.1 CCCCCCCNC(=O)CSC 527a_100000229938_100000184570 [0,2,0,0,0,0|1,1,0]=4 5903 B12R0.1 CCCCCCCNC(=O)NCC 2708a_100000229938_100015525214 [0,2,0,0,0,0|1,0,0]=3 5904 B12R0.1 CCCCCCCNC(=O)NCC 2708a_100015525214_100000229938 [0,2,0,0,0,0|1,0,0]=3 5905 B12R0.1 CCCCCCCNC(=O)NCC 273464a_100000229938_100015525214 [0,2,0,0,0,0|1,0,0]=3 5906 B12R0.1 CCCCCCCNC(=O)NCC 273464a_100015525214_100000229938 [0,2,0,0,0,0|1,0,0]=3 5907 B12R0.1 CCCCCCCNC(=O)NCC 512a_100000229938_100015525214 [0,2,0,0,0,0|1,0,0]=3 5908 B12R0.1 CCCCCCCNC(=O)NCC 512a_100015525214_100000229938 [0,2,0,0,0,0|1,0,0]=3 5909 B12R0.1 CCCCCCCNC(=O)NNC 273464a_100000229938_100016993582 [0,2,0,0,0,0|1,0,0]=3 5910 B12R0.1 CCCCCCCNC(=O)NNC 512a_100000229938_100016993582 [0,2,0,0,0,0|1,0,0]=3 5911 B12R0.1 CCCCCCCNC(=O)NNC 512a_100016993582_100000229938 [0,2,0,0,0,0|1,0,0]=3 5912 B12R0.1 CCCCCCNCC(=O)CCC 2230a_100000210581_100000747444 [0,2,0,0,0,0|2,0,0]=4 5913 B12R0.1 CCCCCCNCC(=O)NCC 2230a_100000210581_100000183381 [0,2,0,0,0,0|1,0,0]=3 5914 B12R0.1 CCCCCCNCC(=O)NCC 2230a_100016988866_100000210314 [0,2,0,0,0,0|1,0,0]=3 5915 B12R0.1 CCCCCCNCC(=O)NCO 2230a_100000210581_100000185155 [0,2,0,0,0,0|0,0,0]=2 5916 B12R0.1 CCCCCCNCC(=O)OCC 2230a_100000210581_100000188475 [0,2,0,0,0,0|2,0,0]=4 5917 B12R0.1 CCCCCCOCC(=O)CCC 7a_100000210259_100000747444 [0,2,0,0,0,0|2,0,0]=4 5918 B12R0.1 CCCCCCOCC(=O)NCC 34a_100000210259_100000183381 [0,2,0,0,0,0|1,0,0]=3 5919 B12R0.1 CCCCCCOCC(=O)NCC 7a_100000210259_100000183381 [0,2,0,0,0,0|1,0,0]=3 5920 B12R0.1 CCCCCCOCC(=O)NCO 34a_100000210259_100000185155 [0,2,0,0,0,0|0,0,0]=2 5921 B12R0.1 CCCCCCOCC(=O)NCO 7a_100000210259_100000185155 [0,2,0,0,0,0|0,0,0]=2 5922 B12R0.1 CCCCCCOCC(=O)OCC 34a_100000210259_100000188475 [0,2,0,0,0,0|2,0,0]=4 5923 B12R0.1 CCCCCCOCC(=O)OCC 7a_100000210259_100000188475 [0,2,0,0,0,0|2,0,0]=4 5924 B12R0.1 CCCCCCSCC(=O)CCC 62a_100000210314_100000747444 [0,2,0,0,0,0|2,0,0]=4 5925 B12R0.1 CCCCCCSCC(=O)CCC 62a_100000747444_100000210757 [0,2,0,0,0,0|2,0,0]=4 5926 B12R0.1 CCCCCCSCC(=O)NCC 62a_100000183381_100000210757 [0,2,0,0,0,0|1,0,0]=3 5927 B12R0.1 CCCCCCSCC(=O)NCC 62a_100000210314_100000183381 [0,2,0,0,0,0|1,0,0]=3 5928 B12R0.1 CCCCCCSCC(=O)NCO 62a_100000185155_100000210757 [0,2,0,0,0,0|0,0,0]=2 5929 B12R0.1 CCCCCCSCC(=O)NCO 62a_100000210314_100000185155 [0,2,0,0,0,0|0,0,0]=2 5930 B12R0.1 CCCCCCSCC(=O)OCC 62a_100000188475_100000210757 [0,2,0,0,0,0|2,0,0]=4 5931 B12R0.1 CCCCCCSCC(=O)OCC 62a_100000210314_100000188475 [0,2,0,0,0,0|2,0,0]=4 5932 B12R0.1 CCCCCNCCC(=O)NCC 2230a_100000209983_100000737597 [0,2,0,0,0,0|1,0,0]=3 5933 B12R0.1 CCCCCNCCC(=O)NCC 34a_100025743525_100000718602 [0,2,0,0,0,0|1,0,0]=3 5934 B12R0.1 CCCCCNCCC(=O)OCC 2230a_100000209983_100011206558 [0,2,0,0,0,0|2,0,0]=4 5935 B12R0.1 CCCCCOCCC(=O)NCC 7a_100000210253_100000737597 [0,2,0,0,0,0|1,0,0]=3 5936 B12R0.1 CCCCCOCCC(=O)OCC 34a_100000210253_100000765890 [0,2,0,0,0,0|2,0,0]=4 5937 B12R0.1 CCCCCOCCC(=O)OCC 7a_100000210253_100011206558 [0,2,0,0,0,0|2,0,0]=4 5938 B12R0.1 CCCCCSCCC(=O)NCC 62a_100000210326_100000737597 [0,2,0,0,0,0|1,0,0]=3 5939 B12R0.1 CCCCCSCCC(=O)NCC 62a_100000737597_100000210326 [0,2,0,0,0,0|1,0,0]=3 5940 B12R0.1 CCCCCSCCC(=O)OCC 62a_100000210326_100000765890 [0,2,0,0,0,0|2,0,0]=4 5941 B12R0.1 CCCCCSCCC(=O)OCC 62a_100000765890_100000210326 [0,2,0,0,0,0|2,0,0]=4 5942 B12R0.1 CCCCNCCCC(=O)OCC 2230a_100000102301_100009991533 [0,2,0,0,0,0|2,0,0]=4 5943 B12R0.1 CCCCNCCCC(=O)OCC 7a_106832991798_100011215271 [0,2,0,0,0,0|2,0,0]=4 5944 B12R0.1 CCCCOCCCC(=O)OCC 34a_100000210227_100009991533 [0,2,0,0,0,0|2,0,0]=4 5945 B12R0.1 CCCCOCCCC(=O)OCC 7a_100000210227_100011215271 [0,2,0,0,0,0|2,0,0]=4 5946 B12R0.1 CCCCOCCCC(=O)OCC 7a_100012001163_100000210211 [0,2,0,0,0,0|2,0,0]=4 5947 B12R0.1 CCCCOCNCC(=O)NCC 2230a_100016988866_100011995733 [0,2,0,0,0,0|2,0,0]=4 5948 B12R0.1 CCCCOCSCC(=O)NCC 62a_100000183381_100011995733 [0,2,0,0,0,0|2,0,0]=4 5949 B12R0.1 CCCCOCSCC(=O)NCC 62a_100011995733_100000183381 [0,2,0,0,0,0|2,0,0]=4 5950 B12R0.1 CCCCOCSCC(=O)NCO 62a_100000185155_100011995733 [0,2,0,0,0,0|1,0,0]=3 5951 B12R0.1 CCCCOCSCC(=O)NCO 62a_100011995733_100000185155 [0,2,0,0,0,0|1,0,0]=3 5952 B12R0.1 CCCCSCCCC(=O)OCC 62a_100000210211_100009991533 [0,2,0,0,0,0|2,0,0]=4 5953 B12R0.1 CCCCSCCCC(=O)OCC 62a_100009991533_100000210210 [0,2,0,0,0,0|2,0,0]=4 5954 B12R0.1 CCCCSCCNC(=O)CCO 240690a_100025743550_100011216618 [0,2,0,0,0,0|2,0,0]=4 5955 B12R0.1 CCCCSCCNC(=O)COC 11a_100025743550_100000210968 [0,2,0,0,0,0|2,0,0]=4 5956 B12R0.1 CCCCSCCNC(=O)COC 1626a_100025743550_100000210968 [0,2,0,0,0,0|2,0,0]=4 5957 B12R0.1 CCCCSCCNC(=O)COC 240690a_100025743550_100000210968 [0,2,0,0,0,0|2,0,0]=4 5958 B12R0.1 CCCCSCCNC(=O)COC 527a_100025743550_100000210968 [0,2,0,0,0,0|2,0,0]=4 5959 B12R0.1 CCCCSCCNC(=O)NCC 2708a_100015525214_100025743550 [0,2,0,0,0,0|2,0,0]=4 5960 B12R0.1 CCCCSCCNC(=O)NCC 2708a_100025743550_100015525214 [0,2,0,0,0,0|2,0,0]=4 5961 B12R0.1 CCCCSCCNC(=O)NCC 273464a_100015525214_100025743550 [0,2,0,0,0,0|2,0,0]=4 5962 B12R0.1 CCCCSCCNC(=O)NCC 273464a_100025743550_100015525214 [0,2,0,0,0,0|2,0,0]=4 5963 B12R0.1 CCCCSCCNC(=O)NCC 512a_100015525214_100025743550 [0,2,0,0,0,0|2,0,0]=4 5964 B12R0.1 CCCCSCCNC(=O)NCC 512a_100025743550_100015525214 [0,2,0,0,0,0|2,0,0]=4 5965 B12R0.1 CCCCSCCNC(=O)NNC 273464a_100025743550_100016993582 [0,2,0,0,0,0|2,0,0]=4 5966 B12R0.1 CCCCSCCNC(=O)NNC 512a_100016993582_100025743550 [0,2,0,0,0,0|2,0,0]=4 5967 B12R0.1 CCCCSCCNC(=O)NNC 512a_100025743550_100016993582 [0,2,0,0,0,0|2,0,0]=4 5968 B12R0.1 CCCOCCCCC(=O)OCC 34a_100000210258_100000750268 [0,2,0,0,0,0|2,0,0]=4 5969 B12R0.1 CCCOCCCNC(=O)CCO 240690a_100011217757_100011216618 [0,2,0,0,0,0|2,0,0]=4 5970 B12R0.1 CCCOCCCNC(=O)COC 1626a_100011217757_100000210968 [0,2,0,0,0,0|2,0,0]=4 5971 B12R0.1 CCCOCCCNC(=O)COC 240690a_100011217757_100000210968 [0,2,0,0,0,0|2,0,0]=4 5972 B12R0.1 CCCOCCCNC(=O)COC 527a_100011217757_100000210968 [0,2,0,0,0,0|2,0,0]=4 5973 B12R0.1 CCCOCCCNC(=O)NCC 2708a_100011217757_100015525214 [0,2,0,0,0,0|2,0,0]=4 5974 B12R0.1 CCCOCCCNC(=O)NCC 2708a_100015525214_100011217757 [0,2,0,0,0,0|2,0,0]=4 5975 B12R0.1 CCCOCCCNC(=O)NCC 273464a_100011217757_100015525214 [0,2,0,0,0,0|2,0,0]=4 5976 B12R0.1 CCCOCCCNC(=O)NCC 273464a_100015525214_100011217757 [0,2,0,0,0,0|2,0,0]=4 5977 B12R0.1 CCCOCCCNC(=O)NCC 512a_100011217757_100015525214 [0,2,0,0,0,0|2,0,0]=4 5978 B12R0.1 CCCOCCCNC(=O)NCC 512a_100015525214_100011217757 [0,2,0,0,0,0|2,0,0]=4 5979 B12R0.1 CCCOCCCNC(=O)NNC 273464a_100011217757_100016993582 [0,2,0,0,0,0|2,0,0]=4 5980 B12R0.1 CCCOCCCNC(=O)NNC 512a_100011217757_100016993582 [0,2,0,0,0,0|2,0,0]=4 5981 B12R0.1 CCCOCCCNC(=O)NNC 512a_100016993582_100011217757 [0,2,0,0,0,0|2,0,0]=4 5982 B12R0.1 CCCOCCNCC(=O)NCC 2230a_100016988866_100011215938 [0,2,0,0,0,0|2,0,0]=4 5983 B12R0.1 CCCOCCNCC(=O)NCC 2230a_100161115042_100000183381 [0,2,0,0,0,0|2,0,0]=4 5984 B12R0.1 CCCOCCNCC(=O)NCC 34a_100161115042_100000183381 [0,2,0,0,0,0|2,0,0]=4 5985 B12R0.1 CCCOCCNCC(=O)NCO 2230a_100161115042_100000185155 [0,2,0,0,0,0|1,0,0]=3 5986 B12R0.1 CCCOCCNCC(=O)NCO 34a_100161115042_100000185155 [0,2,0,0,0,0|1,0,0]=3 5987 B12R0.1 CCCOCCOCC(=O)NCC 34a_100000752267_100000183381 [0,2,0,0,0,0|2,0,0]=4 5988 B12R0.1 CCCOCCOCC(=O)NCC 7a_100000752267_100000183381 [0,2,0,0,0,0|2,0,0]=4 5989 B12R0.1 CCCOCCOCC(=O)NCO 34a_100000752267_100000185155 [0,2,0,0,0,0|1,0,0]=3 5990 B12R0.1 CCCOCCOCC(=O)NCO 7a_100000752267_100000185155 [0,2,0,0,0,0|1,0,0]=3 5991 B12R0.1 CCCOCCSCC(=O)NCC 62a_100000183381_100011215938 [0,2,0,0,0,0|2,0,0]=4 5992 B12R0.1 CCCOCCSCC(=O)NCC 62a_100011215938_100000183381 [0,2,0,0,0,0|2,0,0]=4 5993 B12R0.1 CCCOCCSCC(=O)NCO 62a_100000185155_100011215938 [0,2,0,0,0,0|1,0,0]=3 5994 B12R0.1 CCCOCCSCC(=O)NCO 62a_100011215938_100000185155 [0,2,0,0,0,0|1,0,0]=3 5995 B12R0.1 CCCSCCCCC(=O)OCC 62a_100000210303_100000750268 [0,2,0,0,0,0|2,0,0]=4 5996 B12R0.1 CCCSCCCCC(=O)OCC 62a_100000750268_100000210303 [0,2,0,0,0,0|2,0,0]=4 5997 B12R0.1 CCCSCCNCC(=O)NCC 2230a_100020603323_100000183381 [0,2,0,0,0,0|2,0,0]=4 5998 B12R0.1 CCCSCCNCC(=O)NCO 2230a_100020603323_100000185155 [0,2,0,0,0,0|1,0,0]=3 5999 B12R0.1 CCCSCCOCC(=O)NCC 34a_200000230433_100000183381 [0,2,0,0,0,0|2,0,0]=4 6000 B12R0.1 CCCSCCOCC(=O)NCC 7a_200000230433_100000183381 [0,2,0,0,0,0|2,0,0]=4 6001 B12R0.1 CCCSCCOCC(=O)NCO 34a_200000230433_100000185155 [0,2,0,0,0,0|1,0,0]=3 6002 B12R0.1 CCCSCCOCC(=O)NCO 7a_200000230433_100000185155 [0,2,0,0,0,0|1,0,0]=3 6003 B12R0.1 CCNC(=O)CCCCCCCO 240690a_100015525214_100011219782 [0,2,0,0,0,0|1,0,0]=3 6004 B12R0.1 CCNC(=O)CCNCCCCF 34a_100025743525_100000729493 [0,2,0,0,0,0|2,0,0]=4 6005 B12R0.1 CCNC(=O)CCNCCCCO 2230a_100000750430_100000737597 [0,2,0,0,0,0|2,0,0]=4 6006 B12R0.1 CCNC(=O)CCNCCCCO 34a_100025743525_100011216708 [0,2,0,0,0,0|2,0,0]=4 6007 B12R0.1 CCNC(=O)CCNCCCOC 34a_100025743525_100000740836 [0,2,0,0,0,0|2,0,0]=4 6008 B12R0.1 CCNC(=O)CCNCCCSC 2230a_100000749238_100000737597 [0,2,0,0,0,0|2,0,0]=4 6009 B12R0.1 CCNC(=O)CCNCCOCC 2230a_102516460346_100000737597 [0,2,0,0,0,0|2,0,0]=4 6010 B12R0.1 CCNC(=O)CCNCCOCC 34a_100025743525_100000210147 [0,2,0,0,0,0|2,0,0]=4 6011 B12R0.1 CCNC(=O)CCNCCSCC 2230a_100000106463_100000737597 [0,2,0,0,0,0|2,0,0]=4 6012 B12R0.1 CCNC(=O)CCNCCSCC 34a_100025743525_100000757381 [0,2,0,0,0,0|2,0,0]=4 6013 B12R0.1 CCNC(=O)CCOCCCCCl 7a_100000210776_100000737597 [0,2,0,0,0,0|2,0,0]=4 6014 B12R0.1 CCNC(=O)CCOCCCCF 7a_100011995726_100000737597 [0,2,0,0,0,0|2,0,0]=4 6015 B12R0.1 CCNC(=O)CCOCCCSC 7a_100000690336_100000737597 [0,2,0,0,0,0|2,0,0]=4 6016 B12R0.1 CCNC(=O)CCOCCOCC 7a_100000210136_100000737597 [0,2,0,0,0,0|2,0,0]=4 6017 B12R0.1 CCNC(=O)CCOCCSCC 7a_100000212035_100000737597 [0,2,0,0,0,0|2,0,0]=4 6018 B12R0.1 CCNC(=O)CCSCCCCF 62a_100000729493_100000737597 [0,2,0,0,0,0|2,0,0]=4 6019 B12R0.1 CCNC(=O)CCSCCCCF 62a_100000737597_100000729493 [0,2,0,0,0,0|2,0,0]=4 6020 B12R0.1 CCNC(=O)CCSCCCCO 62a_100000210776_100000737597 [0,2,0,0,0,0|2,0,0]=4 6021 B12R0.1 CCNC(=O)CCSCCCCO 62a_100000737597_100000210776 [0,2,0,0,0,0|2,0,0]=4 6022 B12R0.1 CCNC(=O)CCSCCCOC 62a_100000709357_100000737597 [0,2,0,0,0,0|2,0,0]=4 6023 B12R0.1 CCNC(=O)CCSCCCOC 62a_100000737597_100000709357 [0,2,0,0,0,0|2,0,0]=4 6024 B12R0.1 CCNC(=O)CCSCCOCC 62a_100000210147_100000737597 [0,2,0,0,0,0|2,0,0]=4 6025 B12R0.1 CCNC(=O)CCSCCOCC 62a_100000737597_100011215890 [0,2,0,0,0,0|2,0,0]=4 6026 B12R0.1 CCNC(=O)CCSCCSCC 62a_100000737597_100000757381 [0,2,0,0,0,0|2,0,0]=4 6027 B12R0.1 CCNC(=O)CCSCCSCC 62a_100000757381_100000737597 [0,2,0,0,0,0|2,0,0]=4 6028 B12R0.1 CCNC(=O)CNCCCCCF 2230a_100016988866_100000729378 [0,2,0,0,0,0|2,0,0]=4 6029 B12R0.1 CCNC(=O)CNCCCCCO 2230a_100000762737_100000183381 [0,2,0,0,0,0|2,0,0]=4 6030 B12R0.1 CCNC(=O)CNCCCCCO 2230a_100016988866_100000746330 [0,2,0,0,0,0|2,0,0]=4 6031 B12R0.1 CCNC(=O)CNCCCCCO 34a_100000762737_100000183381 [0,2,0,0,0,0|2,0,0]=4 6032 B12R0.1 CCNC(=O)CNCCCCOC 2230a_100016988866_100000730899 [0,2,0,0,0,0|2,0,0]=4 6033 B12R0.1 CCNC(=O)CNCCCOCC 2230a_100000210961_100000183381 [0,2,0,0,0,0|2,0,0]=4 6034 B12R0.1 CCNC(=O)CNCCCOCC 2230a_100016988866_100012232248 [0,2,0,0,0,0|2,0,0]=4 6035 B12R0.1 CCNC(=O)CNCCCOCC 34a_100000210961_100000183381 [0,2,0,0,0,0|2,0,0]=4 6036 B12R0.1 CCNC(=O)COCCCCCBr 34a_100000746331_100000183381 [0,2,0,0,0,0|2,0,0]=4 6037 B12R0.1 CCNC(=O)COCCCCCBr 7a_100000746331_100000183381 [0,2,0,0,0,0|2,0,0]=4 6038 B12R0.1 CCNC(=O)COCCCCCCl 34a_100000746330_100000183381 [0,2,0,0,0,0|2,0,0]=4 6039 B12R0.1 CCNC(=O)COCCCCCCl 7a_100000746330_100000183381 [0,2,0,0,0,0|2,0,0]=4 6040 B12R0.1 CCNC(=O)COCCCCCI 34a_200012148887_100000183381 [0,2,0,0,0,0|2,0,0]=4 6041 B12R0.1 CCNC(=O)COCCCCCI 7a_200012148887_100000183381 [0,2,0,0,0,0|2,0,0]=4 6042 B12R0.1 CCNC(=O)COCCCCCN 34a_100000762737_100000183381 [0,2,0,0,0,0|2,0,0]=4 6043 B12R0.1 CCNC(=O)COCCCCOC 34a_100000740925_100000183381 [0,2,0,0,0,0|2,0,0]=4 6044 B12R0.1 CCNC(=O)COCCCCSC 34a_100011217163_100000183381 [0,2,0,0,0,0|2,0,0]=4 6045 B12R0.1 CCNC(=O)COCCCCSC 7a_100011217163_100000183381 [0,2,0,0,0,0|2,0,0]=4 6046 B12R0.1 CCNC(=O)COCCCOCC 34a_100000757476_100000183381 [0,2,0,0,0,0|2,0,0]=4 6047 B12R0.1 CCNC(=O)COCCCOCC 7a_100000757476_100000183381 [0,2,0,0,0,0|2,0,0]=4 6048 B12R0.1 CCNC(=O)COCCCSCC 34a_100011216438_100000183381 [0,2,0,0,0,0|2,0,0]=4 6049 B12R0.1 CCNC(=O)COCCCSCC 7a_100011216438_100000183381 [0,2,0,0,0,0|2,0,0]=4 6050 B12R0.1 CCNC(=O)CSCCCCCF 62a_100000183381_100000729378 [0,2,0,0,0,0|2,0,0]=4 6051 B12R0.1 CCNC(=O)CSCCCCCF 62a_100000729378_100000183381 [0,2,0,0,0,0|2,0,0]=4 6052 B12R0.1 CCNC(=O)CSCCCCCO 62a_100000183381_100000746330 [0,2,0,0,0,0|2,0,0]=4 6053 B12R0.1 CCNC(=O)CSCCCCCO 62a_100000746330_100000183381 [0,2,0,0,0,0|2,0,0]=4 6054 B12R0.1 CCNC(=O)CSCCCCOC 62a_100000183381_100000730899 [0,2,0,0,0,0|2,0,0]=4 6055 B12R0.1 CCNC(=O)CSCCCCOC 62a_100000730899_100000183381 [0,2,0,0,0,0|2,0,0]=4 6056 B12R0.1 CCNC(=O)CSCCCOCC 62a_100000183381_100012232248 [0,2,0,0,0,0|2,0,0]=4 6057 B12R0.1 CCNC(=O)CSCCCOCC 62a_100012232248_100000183381 [0,2,0,0,0,0|2,0,0]=4 6058 B12R0.1 CCNC(=O)NCCCCCCO 2708a_100015525214_100000686447 [0,2,0,0,0,0|2,0,0]=4 6059 B12R0.1 CCNC(=O)NCCCCCCO 273464a_100000686447_100015525214 [0,2,0,0,0,0|2,0,0]=4 6060 B12R0.1 CCNC(=O)NCCCCCCO 273464a_100015525214_100000686447 [0,2,0,0,0,0|2,0,0]=4 6061 B12R0.1 CCNC(=O)NCCCCCCO 512a_100000686447_100015525214 [0,2,0,0,0,0|2,0,0]=4 6062 B12R0.1 CCNC(=O)NCCCCCCO 512a_100015525214_100000686447 [0,2,0,0,0,0|2,0,0]=4 6063 B12R0.1 CCNC(=O)NCCCCCOC 2708a_100000747528_100015525214 [0,2,0,0,0,0|2,0,0]=4 6064 B12R0.1 CCNC(=O)NCCCCCOC 2708a_100015525214_100000747528 [0,2,0,0,0,0|2,0,0]=4 6065 B12R0.1 CCNC(=O)NCCCCCOC 273464a_100000747528_100015525214 [0,2,0,0,0,0|2,0,0]=4 6066 B12R0.1 CCNC(=O)NCCCCCOC 273464a_100015525214_100000747528 [0,2,0,0,0,0|2,0,0]=4 6067 B12R0.1 CCNC(=O)NCCCCCOC 512a_100000747528_100015525214 [0,2,0,0,0,0|2,0,0]=4 6068 B12R0.1 CCNC(=O)NCCCCCOC 512a_100015525214_100000747528 [0,2,0,0,0,0|2,0,0]=4 6069 B12R0.1 CCNCCCCCC(=O)OCC 2230a_100015525214_100000755133 [0,2,0,0,0,0|2,0,0]=4 6070 B12R0.1 CCOC(=O)CCCCCCNC 2230a_106832991635_100009814379 [0,2,0,0,0,0|2,0,0]=4 6071 B12R0.1 CCOC(=O)CCCCCCNC 34a_100102657272_100009814379 [0,2,0,0,0,0|2,0,0]=4 6072 B12R0.1 CCOC(=O)CCCCCCNC 7a_106832991635_100009814379 [0,2,0,0,0,0|2,0,0]=4 6073 B12R0.1 CCOC(=O)CCCCCCOC 34a_100138415774_100009814379 [0,2,0,0,0,0|2,0,0]=4 6074 B12R0.1 CCOC(=O)CCCCCCSC 62a_200000210301_100009814379 [0,2,0,0,0,0|2,0,0]=4 6075 B12R0.1 CCOC(=O)CCCCCCS[13CH3] 62a_200025704644_100009814379 [0,2,0,0,0,0|2,0,0]=4 6076 B12R0.1 CCOC(=O)CCCCCSCC 62a_100000210202_100000755133 [0,2,0,0,0,0|2,0,0]=4 6077 B12R0.1 CCOC(=O)CCCCCSCC 62a_100000755133_100000210202 [0,2,0,0,0,0|2,0,0]=4 6078 B12R0.1 CCOCCCCCC(=O)OCC 34a_100121572206_100000755133 [0,2,0,0,0,0|2,0,0]=4 6079 B12R0.1 CCOCCCCCC(=O)OCC 7a_100011214988_100000210202 [0,2,0,0,0,0|2,0,0]=4 6080 B12R0.1 CCOCCCNCC(=O)NCO 2230a_100000210961_100000185155 [0,2,0,0,0,0|1,0,0]=3 6081 B12R0.1 CCOCCCNCC(=O)NCO 34a_100000210961_100000185155 [0,2,0,0,0,0|1,0,0]=3 6082 B12R0.1 CCOCCCOCC(=O)NCO 34a_100000757476_100000185155 [0,2,0,0,0,0|1,0,0]=3 6083 B12R0.1 CCOCCCOCC(=O)NCO 7a_100000757476_100000185155 [0,2,0,0,0,0|1,0,0]=3 6084 B12R0.1 CCOCCCSCC(=O)NCO 62a_100000185155_100012232248 [0,2,0,0,0,0|1,0,0]=3 6085 B12R0.1 CCOCCCSCC(=O)NCO 62a_100012232248_100000185155 [0,2,0,0,0,0|1,0,0]=3 6086 B12R0.1 CCOCCOCCC(=O)CCO 1458a_100011216618_100011211534 [0,2,0,0,0,0|2,0,0]=4 6087 B12R0.1 CCOCCOCCC(=O)COC 1458a_100000210968_100011211534 [0,2,0,0,0,0|2,0,0]=4 6088 B12R0.1 CCSCCCOCC(=O)NCO 34a_100011216438_100000185155 [0,2,0,0,0,0|1,0,0]=3 6089 B12R0.1 CCSCCCOCC(=O)NCO 7a_100011216438_100000185155 [0,2,0,0,0,0|1,0,0]=3 6090 B12R0.1 CNNC(=O)CCCCCCCO 22a_100016993582_100011219782 [0,2,0,0,0,0|1,0,0]=3 6091 B12R0.1 CNNC(=O)NCCCCCCO 273464a_100000686447_100016993582 [0,2,0,0,0,0|2,0,0]=4 6092 B12R0.1 CNNC(=O)NCCCCCCO 512a_100000686447_100016993582 [0,2,0,0,0,0|2,0,0]=4 6093 B12R0.1 CNNC(=O)NCCCCCCO 512a_100016993582_100000686447 [0,2,0,0,0,0|2,0,0]=4 6094 B12R0.1 CNNC(=O)NCCCCCOC 273464a_100000747528_100016993582 [0,2,0,0,0,0|2,0,0]=4 6095 B12R0.1 CNNC(=O)NCCCCCOC 512a_100000747528_100016993582 [0,2,0,0,0,0|2,0,0]=4 6096 B12R0.1 CNNC(=O)NCCCCCOC 512a_100016993582_100000747528 [0,2,0,0,0,0|2,0,0]=4 6097 B12R0.1 COCC(=O)CCCCCCC#N 1458a_100000210968_100009813337 [0,2,0,0,0,0|1,0,1]=4 6098 B12R0.1 COCC(=O)CCCCCCCO 1458a_100000210968_100000760002 [0,2,0,0,0,0|1,0,0]=3 6099 B12R0.1 COCC(=O)NCCCCCCO 240690a_100000686447_100000210968 [0,2,0,0,0,0|2,0,0]=4 6100 B12R0.1 COCC(=O)NCCCCCCO 527a_100000686447_100000210968 [0,2,0,0,0,0|2,0,0]=4 6101 B12R0.1 COCCCCCCC(=O)C=CBr 1458a_100016273825_100011998445 [0,2,0,0,0,0|2,0,0]=4 6102 B12R0.1 COCCCCCCC(=O)C=CCl 1458a_200016279998_100011998445 [0,2,0,0,0,0|2,0,0]=4 6103 B12R0.1 COCCCCCCC(=O)C=CI 1458a_100016256311_100011998445 [0,2,0,0,0,0|2,0,0]=4 6104 B12R0.1 COCCCCCCC(=O)CC#N 1458a_100051588842_100011998445 [0,2,0,0,0,0|2,0,0]=4 6105 B12R0.1 COCCCCCCC(=O)CCO 1458a_100011216618_100011998445 [0,2,0,0,0,0|1,0,0]=3 6106 B12R0.1 COCCCCCCC(=O)COC 1458a_100000210968_100011998445 [0,2,0,0,0,0|1,0,0]=3 6107 B12R0.1 COCCCCCCC(=O)CSC 1458a_100000184570_100011998445 [0,2,0,0,0,0|1,1,0]=4 6108 B12R0.1 COCCCCCNC(=O)CCO 240690a_100000747528_100011216618 [0,2,0,0,0,0|2,0,0]=4 6109 B12R0.1 COCCCCCNC(=O)COC 11a_100000747528_100000210968 [0,2,0,0,0,0|2,0,0]=4 6110 B12R0.1 COCCCCCNC(=O)COC 1626a_100000747528_100000210968 [0,2,0,0,0,0|2,0,0]=4 6111 B12R0.1 COCCCCCNC(=O)COC 240690a_100000747528_100000210968 [0,2,0,0,0,0|2,0,0]=4 6112 B12R0.1 COCCCCCNC(=O)COC 527a_100000747528_100000210968 [0,2,0,0,0,0|2,0,0]=4 6113 B12R0.1 COCCCCOCC(=O)NCO 34a_100000740925_100000185155 [0,2,0,0,0,0|1,0,0]=3 6114 B12R0.1 COCCCCSCC(=O)NCO 62a_100000185155_100000730899 [0,2,0,0,0,0|1,0,0]=3 6115 B12R0.1 COCCCCSCC(=O)NCO 62a_100000730899_100000185155 [0,2,0,0,0,0|1,0,0]=3 6116 B12R0.1 COCCOCCCC(=O)CCO 1458a_100011216618_100011216529 [0,2,0,0,0,0|2,0,0]=4 6117 B12R0.1 COCCOCCCC(=O)COC 1458a_100000210968_100011216529 [0,2,0,0,0,0|2,0,0]=4 6118 B12R0.1 COCCOCSCC(=O)NCO 62a_100000185155_100000231047 [0,2,0,0,0,0|2,0,0]=4 6119 B12R0.1 COCCOCSCC(=O)NCO 62a_100000231047_100000185155 [0,2,0,0,0,0|2,0,0]=4 6120 B12R0.1 CSCC(=O)CCCCCCCO 1458a_100000184570_100000760002 [0,2,0,0,0,0|1,1,0]=4 6121 B12R0.1 CSCCCCOCC(=O)NCO 34a_100011217163_100000185155 [0,2,0,0,0,0|1,0,0]=3 6122 B12R0.1 CSCCCCOCC(=O)NCO 7a_100011217163_100000185155 [0,2,0,0,0,0|1,0,0]=3 6123 B12R0.1 N#CCC(=O)CCCCCCCO 1458a_100011219782_100011214920 [0,2,0,0,0,0|2,0,0]=4 6124 B12R0.1 N#CCC(=O)CCCCCCCO 1458a_100051588842_100000760002 [0,2,0,0,0,0|2,0,0]=4 6125 B12R0.1 N#CCCCCCCC(=O)CCO 1458a_100011216618_100009813337 [0,2,0,0,0,0|1,0,1]=4 6126 B12R0.1 N#CCCCCSCC(=O)NCO 62a_100000185155_100000211819 [0,2,0,0,0,0|1,0,1]=4 6127 B12R0.1 N#CCCCCSCC(=O)NCO 62a_100011219923_100000185155 [0,2,0,0,0,0|1,0,1]=4 6128 B12R0.1 NCCCCCOCC(=O)NCO 34a_100000762737_100000185155 [0,2,0,0,0,0|1,0,0]=3 6129 B12R0.1 NCCOCCOCC(=O)NCO 34a_100000211614_100000185155 [0,2,0,0,0,0|2,0,0]=4 6130 B12R0.1 O=C(C=CBr)CCCCCCCO 1458a_100016273825_100000760002 [0,2,0,0,0,0|2,0,0]=4 6131 B12R0.1 O=C(C=CCl)CCCCCCCO 1458a_200016279998_100000760002 [0,2,0,0,0,0|2,0,0]=4 6132 B12R0.1 O=C(C=CI)CCCCCCCO 1458a_100016256311_100000760002 [0,2,0,0,0,0|2,0,0]=4 6133 B12R0.1 O=C(CCF)CCCCCCCO 1458a_100011219782_100011217306 [0,2,0,0,0,0|2,0,0]=4 6134 B12R0.1 O=C(CCO)CCCCCCCO 1458a_100011216618_100000760002 [0,2,0,0,0,0|1,0,0]=3 6135 B12R0.1 O=C(CCO)CCCCCCCO 1458a_100011219782_100000211926 [0,2,0,0,0,0|1,0,0]=3 6136 B12R0.1 O=C(CCO)NCCCCCCO 240690a_100000686447_100011216618 [0,2,0,0,0,0|2,0,0]=4 6137 B12R0.1 O=C(CNCCCCCO)NCO 2230a_100000762737_100000185155 [0,2,0,0,0,0|1,0,0]=3 6138 B12R0.1 O=C(CNCCCCCO)NCO 34a_100000762737_100000185155 [0,2,0,0,0,0|1,0,0]=3 6139 B12R0.1 O=C(CNCCOCCO)NCO 2230a_100000211614_100000185155 [0,2,0,0,0,0|2,0,0]=4 6140 B12R0.1 O=C(CNCCOCCO)NCO 34a_100000211614_100000185155 [0,2,0,0,0,0|2,0,0]=4 6141 B12R0.1 O=C(CNCCSCCO)NCO 2230a_100011219999_100000185155 [0,2,0,0,0,0|2,0,0]=4 6142 B12R0.1 O=C(COCCCCCBr)NCO 34a_100000746331_100000185155 [0,2,0,0,0,0|1,0,0]=3 6143 B12R0.1 O=C(COCCCCCBr)NCO 7a_100000746331_100000185155 [0,2,0,0,0,0|1,0,0]=3 6144 B12R0.1 O=C(COCCCCCCl)NCO 34a_100000746330_100000185155 [0,2,0,0,0,0|1,0,0]=3 6145 B12R0.1 O=C(COCCCCCCl)NCO 7a_100000746330_100000185155 [0,2,0,0,0,0|1,0,0]=3 6146 B12R0.1 O=C(COCCCCCI)NCO 34a_200012148887_100000185155 [0,2,0,0,0,0|1,0,0]=3 6147 B12R0.1 O=C(COCCCCCI)NCO 7a_200012148887_100000185155 [0,2,0,0,0,0|1,0,0]=3 6148 B12R0.1 O=C(COCCOCCBr)NCO 34a_100000692535_100000185155 [0,2,0,0,0,0|2,0,0]=4 6149 B12R0.1 O=C(COCCOCCBr)NCO 7a_100000692535_100000185155 [0,2,0,0,0,0|2,0,0]=4 6150 B12R0.1 O=C(COCCOCCCl)NCO 34a_100011215305_100000185155 [0,2,0,0,0,0|2,0,0]=4 6151 B12R0.1 O=C(COCCOCCCl)NCO 7a_100011215305_100000185155 [0,2,0,0,0,0|2,0,0]=4 6152 B12R0.1 O=C(COCCOCCF)NCO 34a_200015357709_100000185155 [0,2,0,0,0,0|2,0,0]=4 6153 B12R0.1 O=C(COCCOCCF)NCO 7a_200015357709_100000185155 [0,2,0,0,0,0|2,0,0]=4 6154 B12R0.1 O=C(COCCOCCI)NCO 34a_100012149058_100000185155 [0,2,0,0,0,0|2,0,0]=4 6155 B12R0.1 O=C(COCCOCCI)NCO 7a_100012149058_100000185155 [0,2,0,0,0,0|2,0,0]=4 6156 B12R0.1 O=C(CSCCCCCF)NCO 62a_100000185155_100000729378 [0,2,0,0,0,0|1,0,0]=3 6157 B12R0.1 O=C(CSCCCCCF)NCO 62a_100000729378_100000185155 [0,2,0,0,0,0|1,0,0]=3 6158 B12R0.1 O=C(CSCCCCCO)NCO 62a_100000185155_100000746330 [0,2,0,0,0,0|1,0,0]=3 6159 B12R0.1 O=C(CSCCCCCO)NCO 62a_100000746330_100000185155 [0,2,0,0,0,0|1,0,0]=3 6160 B12R0.1 O=C(CSCCOCCO)NCO 62a_100000185155_100011215305 [0,2,0,0,0,0|2,0,0]=4 6161 B12R0.1 O=C(CSCCOCCO)NCO 62a_100011215305_100000185155 [0,2,0,0,0,0|2,0,0]=4 6162 B12R0.1 O=CCCCCSCC(=O)NCO 62a_100000139335_100000185155 [0,2,0,0,0,0|1,0,1]=4 6163 B12R0.1 O=CCCCCSCC(=O)NCO 62a_100000185155_100000139335 [0,2,0,0,0,0|1,0,1]=4 6164 B12R0.4 C=C(C)CC(=O)CCCCCCC 1458a_100000211969_100000748629 [0,2,0,0,0,0|2,0,0]=4 6165 B12R0.4 C=C(F)CC(=O)CCCCCCC 1458a_100000211969_100009893438 [0,2,0,0,0,0|2,0,0]=4 6166 B12R0.4 CC(C)NC(=O)CCCCCCO 240690a_100138425928_100011996774 [0,2,0,0,0,0|2,0,0]=4 6167 B12R0.4 CC(O)CC(=O)CCCCCCO 1458a_100011996774_100011218427 [0,2,0,0,0,0|2,0,0]=4 6168 B12R0.4 CCCCCCCC(=O)C=C(C)C 1458a_100000211388_100000210614 [0,2,0,0,0,0|2,0,0]=4 6169 B12R0.4 CCCCCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210614 [0,2,0,0,0,0|2,0,0]=4 6170 B12R0.4 CCCCCCCC(=O)C=C(C)I 1458a_100025716642_100000210614 [0,2,0,0,0,0|2,0,0]=4 6171 B12R0.4 CCCCCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210614 [0,2,0,0,0,0|2,0,0]=4 6172 B12R0.4 CCCCCCCC(=O)CC(=O)N 1458a_100000211969_100000187820 [0,2,0,0,0,0|1,0,1]=4 6173 B12R0.4 CCCCCCCC(=O)CC(=O)N 1458a_100134613110_100000210614 [0,2,0,0,0,0|1,0,1]=4 6174 B12R0.4 CCCCCCCC(=O)CC(=O)[O-] 1458a_100000211969_100020667443 [0,2,0,0,0,0|1,0,1]=4 6175 B12R0.4 CCCCCCCC(=O)CC(C)C 1458a_100000210554_100000210614 [0,2,0,0,0,0|2,0,0]=4 6176 B12R0.4 CCCCCCCC(=O)CC(C)C 1458a_100000211969_100000210624 [0,2,0,0,0,0|2,0,0]=4 6177 B12R0.4 CCCCCCCC(=O)CC(C)O 1458a_100000211969_100011218427 [0,2,0,0,0,0|1,0,0]=3 6178 B12R0.4 CCCCCCCC(=O)CC(F)F 1458a_100000211969_100011934356 [0,2,0,0,0,0|2,0,0]=4 6179 B12R0.4 CCCCCCCC(=O)CN(C)C 1458a_100000750896_100000210614 [0,2,0,0,0,0|1,0,0]=3 6180 B12R0.4 CCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210614 [0,2,0,0,0,0|1,0,0]=3 6181 B12R0.4 CCCCCCCC(=O)C[N+](=O)[O-] 1458a_100000211969_100000761209 [0,2,0,0,0,0|0,0,2]=4 6182 B12R0.4 CCCCCCCC(=O)C[S+](C)C 1458a_200159257847_100000210614 [0,2,0,0,0,0|1,1,0]=4 6183 B12R0.4 CCCCCCCC(=O)NC(C)C 11a_100138425928_100000211969 [0,2,0,0,0,0|1,0,0]=3 6184 B12R0.4 CCCCCCCC(=O)NC(C)C 1626a_100138425928_100000211969 [0,2,0,0,0,0|1,0,0]=3 6185 B12R0.4 CCCCCCCC(=O)NC(C)C 240690a_100138425928_100000211969 [0,2,0,0,0,0|1,0,0]=3 6186 B12R0.4 CCCCCCCC(=O)NC(C)C 527a_100138425928_100000211969 [0,2,0,0,0,0|1,0,0]=3 6187 B12R0.4 CCCCCCNC(=O)CN(C)C 11a_100000210581_100000750896 [0,2,0,0,0,0|2,0,0]=4 6188 B12R0.4 CCCCCCNC(=O)CN(C)C 2230a_100102631434_100000230325 [0,2,0,0,0,0|2,0,0]=4 6189 B12R0.4 CCCCCCNC(=O)CN(C)C 240690a_100000210581_100000750896 [0,2,0,0,0,0|2,0,0]=4 6190 B12R0.4 CCCCCCNC(=O)CN(C)C 269982a_100102631434_100000230325 [0,2,0,0,0,0|2,0,0]=4 6191 B12R0.4 CCCCCCNC(=O)CN(C)C 527a_100000210581_100000750896 [0,2,0,0,0,0|2,0,0]=4 6192 B12R0.4 CCCCCCNC(=O)C[C@@H](C)O 240690a_100000210581_100011933948 [0,2,0,0,0,0|2,0,0]=4 6193 B12R0.4 CCCCCCNC(=O)NC(C)C 2708a_100000210581_100138425928 [0,2,0,0,0,0|2,0,0]=4 6194 B12R0.4 CCCCCCNC(=O)NC(C)C 2708a_100138425928_100000210581 [0,2,0,0,0,0|2,0,0]=4 6195 B12R0.4 CCCCCCNC(=O)NC(C)C 273464a_100138425928_100000210581 [0,2,0,0,0,0|2,0,0]=4 6196 B12R0.4 CCCCCCNC(=O)NC(C)C 512a_100000210581_100138425928 [0,2,0,0,0,0|2,0,0]=4 6197 B12R0.4 CCCCCCNC(=O)NC(C)C 512a_100138425928_100000210581 [0,2,0,0,0,0|2,0,0]=4 6198 B12R0.4 CCCCCNCC(=O)NC(=O)N 2230a_100000209983_100000182717 [0,2,0,0,0,0|1,0,1]=4 6199 B12R0.4 CCCCCNCC(=O)NC(C)C 2230a_100000168517_100000210326 [0,2,0,0,0,0|2,0,0]=4 6200 B12R0.4 CCCCCNCC(=O)NC(C)C 2230a_100000209983_100000183996 [0,2,0,0,0,0|2,0,0]=4 6201 B12R0.4 CCCCCOCC(=O)NC(=O)C 7a_100000210253_100000183797 [0,2,0,0,0,0|1,0,1]=4 6202 B12R0.4 CCCCCOCC(=O)NC(=O)N 7a_100000210253_100000182717 [0,2,0,0,0,0|1,0,1]=4 6203 B12R0.4 CCCCCOCC(=O)NC(C)C 34a_100000210253_100000183996 [0,2,0,0,0,0|2,0,0]=4 6204 B12R0.4 CCCCCOCC(=O)NC(C)C 7a_100000210253_100000183996 [0,2,0,0,0,0|2,0,0]=4 6205 B12R0.4 CCCCCSCC(=O)NC(=O)C 62a_100000210326_100000183797 [0,2,0,0,0,0|1,0,1]=4 6206 B12R0.4 CCCCCSCC(=O)NC(=O)N 62a_100000210326_100000182717 [0,2,0,0,0,0|1,0,1]=4 6207 B12R0.4 CCCCCSCC(=O)NC(C)C 62a_100000183996_100000210326 [0,2,0,0,0,0|2,0,0]=4 6208 B12R0.4 CCCCCSCC(=O)NC(C)C 62a_100000210326_100000183996 [0,2,0,0,0,0|2,0,0]=4 6209 B12R0.4 CCCCNCCC(=O)NC(=O)N 2230a_100000102301_100000237605 [0,2,0,0,0,0|1,0,1]=4 6210 B12R0.4 CCCCNCCC(=O)NC(=O)N 7a_106832991798_100000237605 [0,2,0,0,0,0|1,0,1]=4 6211 B12R0.4 CCCCNCCC(=O)NC(C)C 2230a_100000102301_100000737564 [0,2,0,0,0,0|2,0,0]=4 6212 B12R0.4 CCCCNCCC(=O)NC(C)C 7a_106832991798_100000737564 [0,2,0,0,0,0|2,0,0]=4 6213 B12R0.4 CCCCOCCC(=O)CN(C)C 1458a_100000750896_100000743108 [0,2,0,0,0,0|2,0,0]=4 6214 B12R0.4 CCCCOCCC(=O)C[C@@H](C)O 1458a_100011933948_100000743108 [0,2,0,0,0,0|2,0,0]=4 6215 B12R0.4 CCCCOCCC(=O)NC(=O)N 7a_100000210227_100000237605 [0,2,0,0,0,0|1,0,1]=4 6216 B12R0.4 CCCCOCCC(=O)NC(C)C 7a_100000210227_100000737564 [0,2,0,0,0,0|2,0,0]=4 6217 B12R0.4 CCCCSCCC(=O)NC(=O)N 62a_100000210211_100000237605 [0,2,0,0,0,0|1,0,1]=4 6218 B12R0.4 CCCCSCCC(=O)NC(C)C 62a_100000210211_100000737564 [0,2,0,0,0,0|2,0,0]=4 6219 B12R0.4 CCCCSCCC(=O)NC(C)C 62a_100000737564_100000210210 [0,2,0,0,0,0|2,0,0]=4 6220 B12R0.4 CN(C)CC(=O)CCCCCCF 1458a_100000750896_100015922095 [0,2,0,0,0,0|2,0,0]=4 6221 B12R0.4 CN(C)CC(=O)CCCCCCO 1458a_100000750896_100000766143 [0,2,0,0,0,0|2,0,0]=4 6222 B12R0.4 COCCCCCC(=O)CC(C)O 1458a_100011935119_100011218427 [0,2,0,0,0,0|2,0,0]=4 6223 B12R0.4 COCCCCCC(=O)NC(C)C 11a_100138425928_100011935119 [0,2,0,0,0,0|2,0,0]=4 6224 B12R0.4 COCCCCCC(=O)NC(C)C 1626a_100138425928_100011935119 [0,2,0,0,0,0|2,0,0]=4 6225 B12R0.4 COCCCCCC(=O)NC(C)C 240690a_100138425928_100011935119 [0,2,0,0,0,0|2,0,0]=4 6226 B12R0.4 COCCCCCC(=O)NC(C)C 527a_100138425928_100011935119 [0,2,0,0,0,0|2,0,0]=4 6227 B12R0.4 C[C@@H](O)CC(=O)CCCCCCF 1458a_100011933948_100015922095 [0,2,0,0,0,0|2,0,0]=4 6228 B12R0.4 C[C@@H](O)CC(=O)CCCCCCO 1458a_100011933948_100000766143 [0,2,0,0,0,0|2,0,0]=4 6229 B12R0.49 C#CC(=O)C(C)CCCCCCC 1458a_100000211873_200011218727 [0,2,0,0,0,0|2,0,0]=4 6230 B12R0.49 C#CC(C)C(=O)CCCCCCC 1458a_100000211969_200000035995 [0,2,0,0,0,0|2,0,0]=4 6231 B12R0.49 C/C=C(\C)/C(=O)CCCCCCC 1458a_100020587367_100000210614 [0,2,0,0,0,0|2,0,0]=4 6232 B12R0.49 C=CC(=O)C(C)CCCCCCC 1458a_100000185746_200011218727 [0,2,0,0,0,0|2,0,0]=4 6233 B12R0.49 C=CC(=O)N(C)CCCCCCC 1626a_100000228206_100000185746 [0,2,0,0,0,0|2,0,0]=4 6234 B12R0.49 C=CC(=O)N(C)CCCCCCC 240690a_100000228206_200121576911 [0,2,0,0,0,0|2,0,0]=4 6235 B12R0.49 C=CC(C)C(=O)CCCCCCC 1458a_100011216780_100000210614 [0,2,0,0,0,0|2,0,0]=4 6236 B12R0.49 CC(OCCCCCF)C(=O)NN 34a_100000725659_100000729378 [0,2,0,0,0,0|2,0,0]=4 6237 B12R0.49 CC(OCCCCCO)C(=O)NN 34a_100000725659_100000746330 [0,2,0,0,0,0|2,0,0]=4 6238 B12R0.49 CCC(O)C(=O)CCCCCCF 1458a_100011196387_100015922095 [0,2,0,0,0,0|2,0,0]=4 6239 B12R0.49 CCC(O)C(=O)CCCCCCO 1458a_100011196387_100000766143 [0,2,0,0,0,0|2,0,0]=4 6240 B12R0.49 CCCCCCCC(=O)C(=O)NC 1458a_100011218921_100000210614 [0,2,0,0,0,0|1,0,0]=3 6241 B12R0.49 CCCCCCCC(=O)C(C)C#N 1458a_100000211969_100000703298 [0,2,0,0,0,0|2,0,0]=4 6242 B12R0.49 CCCCCCCC(=O)C(C)C#N 1458a_100000753662_100000210614 [0,2,0,0,0,0|2,0,0]=4 6243 B12R0.49 CCCCCCCC(=O)C(C)CC 1458a_100000211969_100000758301 [0,2,0,0,0,0|2,0,0]=4 6244 B12R0.49 CCCCCCCC(=O)C(C)CC 1458a_100011192722_100000210614 [0,2,0,0,0,0|2,0,0]=4 6245 B12R0.49 CCCCCCCC(=O)C(C)OC 1458a_100000743197_100000210614 [0,2,0,0,0,0|1,0,0]=3 6246 B12R0.49 CCCCCCCC(=O)C(C)SC 1458a_100000149566_100000210614 [0,2,0,0,0,0|1,1,0]=4 6247 B12R0.49 CCCCCCCC(=O)C(O)CC 1458a_100011196387_100000210614 [0,2,0,0,0,0|1,0,0]=3 6248 B12R0.49 CCCCCCCC(=O)C(O)CO 1458a_100011215603_100000210614 [0,2,0,0,0,0|1,0,0]=3 6249 B12R0.49 CCCCCCCC(=O)N(C)CC 11a_100000225621_100000211969 [0,2,0,0,0,0|1,0,0]=3 6250 B12R0.49 CCCCCCCC(=O)N(C)CC 1626a_100000225621_100000211969 [0,2,0,0,0,0|1,0,0]=3 6251 B12R0.49 CCCCCCCC(=O)N(C)CC 240690a_100000225621_100000211969 [0,2,0,0,0,0|1,0,0]=3 6252 B12R0.49 CCCCCCCC(=O)N(C)CC 527a_100000225621_100000211969 [0,2,0,0,0,0|1,0,0]=3 6253 B12R0.49 CCCCCCCC(C)C(=O)CC 1458a_100000210414_200011218727 [0,2,0,0,0,0|2,0,0]=4 6254 B12R0.49 CCCCCCCC(C)C(=O)CO 1458a_100000210174_200011218727 [0,2,0,0,0,0|1,0,0]=3 6255 B12R0.49 CCCCCCCN(C)C(=O)CC 11a_100000228206_100000210414 [0,2,0,0,0,0|2,0,0]=4 6256 B12R0.49 CCCCCCCN(C)C(=O)CC 1626a_100000228206_100000210414 [0,2,0,0,0,0|2,0,0]=4 6257 B12R0.49 CCCCCCCN(C)C(=O)CC 240690a_100000228206_100000210414 [0,2,0,0,0,0|2,0,0]=4 6258 B12R0.49 CCCCCCCN(C)C(=O)CC 527a_100000228206_100000210414 [0,2,0,0,0,0|2,0,0]=4 6259 B12R0.49 CCCCCCCN(C)C(=O)CO 240690a_100000228206_100000210174 [0,2,0,0,0,0|1,0,0]=3 6260 B12R0.49 CCCCCCCN(C)C(=O)CO 527a_100000228206_100000210174 [0,2,0,0,0,0|1,0,0]=3 6261 B12R0.49 CCCCCCCN(C)C(=O)NC 2708a_100102657272_100000228206 [0,2,0,0,0,0|1,0,0]=3 6262 B12R0.49 CCCCCCCN(C)C(=O)NC 273464a_100102657272_100000228206 [0,2,0,0,0,0|1,0,0]=3 6263 B12R0.49 CCCCCCNC(=O)C(=O)NC 1626a_100000210581_100011218921 [0,2,0,0,0,0|1,0,1]=4 6264 B12R0.49 CCCCCCNC(=O)C(=O)NC 240690a_100000210581_100011218921 [0,2,0,0,0,0|1,0,1]=4 6265 B12R0.49 CCCCCCNC(=O)C(=O)NC 527a_100000210581_100011218921 [0,2,0,0,0,0|1,0,1]=4 6266 B12R0.49 CCCCCCNC(=O)C(=O)OC 11a_100000210581_100000024059 [0,2,0,0,0,0|2,0,0]=4 6267 B12R0.49 CCCCCCNC(=O)C(=O)OC 1626a_100000210581_100000024059 [0,2,0,0,0,0|2,0,0]=4 6268 B12R0.49 CCCCCCNC(=O)C(=O)OC 240690a_100000210581_100000024059 [0,2,0,0,0,0|2,0,0]=4 6269 B12R0.49 CCCCCCNC(=O)C(=O)OC 527a_100000210581_100000024059 [0,2,0,0,0,0|2,0,0]=4 6270 B12R0.49 CCCCCCNC(=O)C(C)OC 11a_100000210581_100000743197 [0,2,0,0,0,0|2,0,0]=4 6271 B12R0.49 CCCCCCNC(=O)C(C)OC 1626a_100000210581_100000743197 [0,2,0,0,0,0|2,0,0]=4 6272 B12R0.49 CCCCCCNC(=O)C(C)OC 240690a_100000210581_100000743197 [0,2,0,0,0,0|2,0,0]=4 6273 B12R0.49 CCCCCCNC(=O)C(C)OC 527a_100000210581_100000743197 [0,2,0,0,0,0|2,0,0]=4 6274 B12R0.49 CCCCCCNC(=O)C(O)CC 240690a_100000210581_100011196387 [0,2,0,0,0,0|2,0,0]=4 6275 B12R0.49 CCCCCCNC(=O)C(O)CO 240690a_100000210581_100011215603 [0,2,0,0,0,0|2,0,0]=4 6276 B12R0.49 CCCCCCNC(=O)N(C)CC 2708a_100000210581_100000225621 [0,2,0,0,0,0|2,0,0]=4 6277 B12R0.49 CCCCCCNC(=O)N(C)CC 273464a_100000210581_100000225621 [0,2,0,0,0,0|2,0,0]=4 6278 B12R0.49 CCCCCCNC(C)C(=O)CC 2230a_100000210581_100000742827 [0,2,0,0,0,0|2,0,0]=4 6279 B12R0.49 CCCCCCNC(C)C(=O)NC 2230a_100000210581_100000731044 [0,2,0,0,0,0|1,0,0]=3 6280 B12R0.49 CCCCCCNC(C)C(=O)OC 2230a_100000210581_100000211248 [0,2,0,0,0,0|2,0,0]=4 6281 B12R0.49 CCCCCCNC(F)C(=O)NC 2230a_100000210581_100009813575 [0,2,0,0,0,0|1,0,0]=3 6282 B12R0.49 CCCCCCN[C@H](C)C(=O)NC 2230a_100000684985_100000210314 [0,2,0,0,0,0|1,0,0]=3 6283 B12R0.49 CCCCCCN[C@H](C)C(=O)NC 34a_100000684985_100000210314 [0,2,0,0,0,0|1,0,0]=3 6284 B12R0.49 CCCCCCOC(C)C(=O)CC 7a_100000210259_100000742827 [0,2,0,0,0,0|2,0,0]=4 6285 B12R0.49 CCCCCCOC(C)C(=O)NC 34a_100000210259_100000731044 [0,2,0,0,0,0|1,0,0]=3 6286 B12R0.49 CCCCCCOC(C)C(=O)NC 7a_100000210259_100000209862 [0,2,0,0,0,0|1,0,0]=3 6287 B12R0.49 CCCCCCOC(C)C(=O)NN 34a_100000725659_100000210314 [0,2,0,0,0,0|1,0,0]=3 6288 B12R0.49 CCCCCCOC(C)C(=O)OC 34a_100000210259_100000211248 [0,2,0,0,0,0|2,0,0]=4 6289 B12R0.49 CCCCCCOC(C)C(=O)OC 34a_100011215400_100000210314 [0,2,0,0,0,0|2,0,0]=4 6290 B12R0.49 CCCCCCOC(C)C(=O)OC 7a_100000210259_100000211248 [0,2,0,0,0,0|2,0,0]=4 6291 B12R0.49 CCCCCCOC(F)C(=O)NC 34a_100000210259_100009813575 [0,2,0,0,0,0|1,0,0]=3 6292 B12R0.49 CCCCCCOC(F)C(=O)NC 7a_100000210259_100009813575 [0,2,0,0,0,0|1,0,0]=3 6293 B12R0.49 CCCCCCSC(C)C(=O)CC 62a_100000210314_100000742827 [0,2,0,0,0,0|2,0,0]=4 6294 B12R0.49 CCCCCCSC(C)C(=O)CC 62a_100000742827_100000210757 [0,2,0,0,0,0|2,0,0]=4 6295 B12R0.49 CCCCCCSC(C)C(=O)NC 62a_100000209862_100000210757 [0,2,0,0,0,0|1,0,0]=3 6296 B12R0.49 CCCCCCSC(C)C(=O)NC 62a_100000210314_100000731044 [0,2,0,0,0,0|1,0,0]=3 6297 B12R0.49 CCCCCCSC(C)C(=O)OC 62a_100000210314_100000211248 [0,2,0,0,0,0|2,0,0]=4 6298 B12R0.49 CCCCCCSC(C)C(=O)OC 62a_100000211248_100000210757 [0,2,0,0,0,0|2,0,0]=4 6299 B12R0.49 CCCCCCSC(F)C(=O)NC 62a_100000210314_100009813575 [0,2,0,0,0,0|1,0,0]=3 6300 B12R0.49 CCCCCCSC(F)C(=O)NC 62a_100009813575_100000210757 [0,2,0,0,0,0|1,0,0]=3 6301 B12R0.49 CCCCCNCC(=O)N(C)CC 2230a_100000209983_100000738999 [0,2,0,0,0,0|2,0,0]=4 6302 B12R0.49 CCCCCNCC(=O)N(C)OC 2230a_100000209983_100000764215 [0,2,0,0,0,0|1,0,0]=3 6303 B12R0.49 CCCCCNCC(=O)N(C)OC 2230a_100015207273_100000210326 [0,2,0,0,0,0|1,0,0]=3 6304 B12R0.49 CCCCCNCC(C)C(=O)NC 2230a_100015187722_100000210326 [0,2,0,0,0,0|1,0,0]=3 6305 B12R0.49 CCCCCNCC(C)C(=O)NC 34a_100015187722_100000718602 [0,2,0,0,0,0|1,0,0]=3 6306 B12R0.49 CCCCCOCC(=O)C(=O)OC 34a_100000210253_100011610305 [0,2,0,0,0,0|2,0,0]=4 6307 B12R0.49 CCCCCOCC(=O)N(C)CC 34a_100000210253_100000738999 [0,2,0,0,0,0|2,0,0]=4 6308 B12R0.49 CCCCCOCC(=O)N(C)CC 7a_100000210253_100000738999 [0,2,0,0,0,0|2,0,0]=4 6309 B12R0.49 CCCCCOCC(=O)N(C)OC 7a_100000210253_100000764215 [0,2,0,0,0,0|1,0,0]=3 6310 B12R0.49 CCCCCOCC(C)C(=O)OC 34a_100000210253_100000698445 [0,2,0,0,0,0|2,0,0]=4 6311 B12R0.49 CCCCCOCC(C)C(=O)OC 34a_100000749362_100000718602 [0,2,0,0,0,0|2,0,0]=4 6312 B12R0.49 CCCCCOCC(C)C(=O)OC 7a_100000749362_100000210326 [0,2,0,0,0,0|2,0,0]=4 6313 B12R0.49 CCCCCOCC(F)C(=O)OC 34a_200009849844_100000718602 [0,2,0,0,0,0|2,0,0]=4 6314 B12R0.49 CCCCCOCC(N)C(=O)NN 34a_100016989258_100000718602 [0,2,0,0,0,0|1,0,0]=3 6315 B12R0.49 CCCCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000718602 [0,2,0,0,0,0|2,0,0]=4 6316 B12R0.49 CCCCCSCC(=O)C(=O)OC 62a_100000210326_100011610305 [0,2,0,0,0,0|2,0,0]=4 6317 B12R0.49 CCCCCSCC(=O)C(=O)OC 62a_100011610305_100000210326 [0,2,0,0,0,0|2,0,0]=4 6318 B12R0.49 CCCCCSCC(=O)N(C)CC 62a_100000210326_100000738999 [0,2,0,0,0,0|2,0,0]=4 6319 B12R0.49 CCCCCSCC(=O)N(C)CC 62a_100000738999_100000210326 [0,2,0,0,0,0|2,0,0]=4 6320 B12R0.49 CCCCCSCC(=O)N(C)OC 62a_100000210326_100000764215 [0,2,0,0,0,0|1,0,0]=3 6321 B12R0.49 CCCCCSCC(=O)N(C)OC 62a_100000764215_100000210326 [0,2,0,0,0,0|1,0,0]=3 6322 B12R0.49 CCCCCSCC(C)C(=O)OC 62a_100000210326_100000698445 [0,2,0,0,0,0|2,0,0]=4 6323 B12R0.49 CCCCCSCC(C)C(=O)OC 62a_100000698445_100000210326 [0,2,0,0,0,0|2,0,0]=4 6324 B12R0.49 CCCCNCCC(C)C(=O)OC 2230a_100000102301_100000034942 [0,2,0,0,0,0|2,0,0]=4 6325 B12R0.49 CCCCNCCC(C)C(=O)OC 7a_106832991798_100000034942 [0,2,0,0,0,0|2,0,0]=4 6326 B12R0.49 CCCCOCCC(=O)C(=O)NC 1458a_100011218921_100000743108 [0,2,0,0,0,0|1,0,1]=4 6327 B12R0.49 CCCCOCCC(=O)C(C)OC 1458a_100000743197_100000743108 [0,2,0,0,0,0|2,0,0]=4 6328 B12R0.49 CCCCOCCC(=O)C(O)CC 1458a_100011196387_100000743108 [0,2,0,0,0,0|2,0,0]=4 6329 B12R0.49 CCCCOCCC(=O)C(O)CO 1458a_100011215603_100000743108 [0,2,0,0,0,0|2,0,0]=4 6330 B12R0.49 CCCCOCCC(C)C(=O)OC 34a_100000210227_100000034942 [0,2,0,0,0,0|2,0,0]=4 6331 B12R0.49 CCCCOCCC(C)C(=O)OC 7a_100000210227_100000034942 [0,2,0,0,0,0|2,0,0]=4 6332 B12R0.49 CCCCOCN[C@H](C)C(=O)NC 2230a_100000684985_100011995733 [0,2,0,0,0,0|2,0,0]=4 6333 B12R0.49 CCCCOCN[C@H](C)C(=O)NC 34a_100000684985_100011995733 [0,2,0,0,0,0|2,0,0]=4 6334 B12R0.49 CCCCOCOC(C)C(=O)NN 34a_100000725659_100011995733 [0,2,0,0,0,0|2,0,0]=4 6335 B12R0.49 CCCCOCSC(C)C(=O)NC 62a_100000209862_100011995733 [0,2,0,0,0,0|2,0,0]=4 6336 B12R0.49 CCCCOCSC(C)C(=O)NC 62a_100011995733_100000731044 [0,2,0,0,0,0|2,0,0]=4 6337 B12R0.49 CCCCOCSC(F)C(=O)NC 62a_100009813575_100011995733 [0,2,0,0,0,0|2,0,0]=4 6338 B12R0.49 CCCCOCSC(F)C(=O)NC 62a_100011995733_100009813575 [0,2,0,0,0,0|2,0,0]=4 6339 B12R0.49 CCCCSCCC(C)C(=O)OC 62a_100000034942_100000210210 [0,2,0,0,0,0|2,0,0]=4 6340 B12R0.49 CCCCSCCC(C)C(=O)OC 62a_100000210211_100000034942 [0,2,0,0,0,0|2,0,0]=4 6341 B12R0.49 CCCOCCNC(C)C(=O)NC 2230a_100161115042_100000731044 [0,2,0,0,0,0|2,0,0]=4 6342 B12R0.49 CCCOCCNC(C)C(=O)NC 34a_100161115042_100000731044 [0,2,0,0,0,0|2,0,0]=4 6343 B12R0.49 CCCOCCNC(F)C(=O)NC 2230a_100161115042_100009813575 [0,2,0,0,0,0|2,0,0]=4 6344 B12R0.49 CCCOCCNC(F)C(=O)NC 34a_100161115042_100009813575 [0,2,0,0,0,0|2,0,0]=4 6345 B12R0.49 CCCOCCN[C@H](C)C(=O)NC 2230a_100000684985_100011215938 [0,2,0,0,0,0|2,0,0]=4 6346 B12R0.49 CCCOCCN[C@H](C)C(=O)NC 34a_100000684985_100011215938 [0,2,0,0,0,0|2,0,0]=4 6347 B12R0.49 CCCOCCOC(C)C(=O)NC 34a_100000752267_100000731044 [0,2,0,0,0,0|2,0,0]=4 6348 B12R0.49 CCCOCCOC(C)C(=O)NC 7a_100000752267_100000209862 [0,2,0,0,0,0|2,0,0]=4 6349 B12R0.49 CCCOCCOC(C)C(=O)NN 34a_100000725659_100011215938 [0,2,0,0,0,0|2,0,0]=4 6350 B12R0.49 CCCOCCOC(F)C(=O)NC 34a_100000752267_100009813575 [0,2,0,0,0,0|2,0,0]=4 6351 B12R0.49 CCCOCCOC(F)C(=O)NC 7a_100000752267_100009813575 [0,2,0,0,0,0|2,0,0]=4 6352 B12R0.49 CCCOCCSC(C)C(=O)NC 62a_100000209862_100011215938 [0,2,0,0,0,0|2,0,0]=4 6353 B12R0.49 CCCOCCSC(C)C(=O)NC 62a_100011215938_100000731044 [0,2,0,0,0,0|2,0,0]=4 6354 B12R0.49 CCCOCCSC(F)C(=O)NC 62a_100009813575_100011215938 [0,2,0,0,0,0|2,0,0]=4 6355 B12R0.49 CCCOCCSC(F)C(=O)NC 62a_100011215938_100009813575 [0,2,0,0,0,0|2,0,0]=4 6356 B12R0.49 CCCSCCCC(=O)N(C)OC 62a_100000210303_100011842776 [0,2,0,0,0,0|1,0,0]=3 6357 B12R0.49 CCCSCCCC(=O)N(C)OC 62a_100011842776_100000210303 [0,2,0,0,0,0|1,0,0]=3 6358 B12R0.49 CCCSCCNC(C)C(=O)NC 2230a_100020603323_100000731044 [0,2,0,0,0,0|2,0,0]=4 6359 B12R0.49 CCCSCCNC(F)C(=O)NC 2230a_100020603323_100009813575 [0,2,0,0,0,0|2,0,0]=4 6360 B12R0.49 CCCSCCOC(C)C(=O)NC 34a_200000230433_100000731044 [0,2,0,0,0,0|2,0,0]=4 6361 B12R0.49 CCCSCCOC(C)C(=O)NC 7a_200000230433_100000209862 [0,2,0,0,0,0|2,0,0]=4 6362 B12R0.49 CCCSCCOC(F)C(=O)NC 34a_200000230433_100009813575 [0,2,0,0,0,0|2,0,0]=4 6363 B12R0.49 CCCSCCOC(F)C(=O)NC 7a_200000230433_100009813575 [0,2,0,0,0,0|2,0,0]=4 6364 B12R0.49 CCN(C)C(=O)CCCCCCO 240690a_100000225621_100011996774 [0,2,0,0,0,0|2,0,0]=4 6365 B12R0.49 CCN(C)C(=O)CCCCCOC 11a_100000225621_100011935119 [0,2,0,0,0,0|2,0,0]=4 6366 B12R0.49 CCN(C)C(=O)CCCCCOC 1626a_100000225621_100011935119 [0,2,0,0,0,0|2,0,0]=4 6367 B12R0.49 CCN(C)C(=O)CCCCCOC 240690a_100000225621_100011935119 [0,2,0,0,0,0|2,0,0]=4 6368 B12R0.49 CCN(C)C(=O)CCCCCOC 527a_100000225621_100011935119 [0,2,0,0,0,0|2,0,0]=4 6369 B12R0.49 CCOCCCNC(C)C(=O)NC 2230a_100000210961_100000731044 [0,2,0,0,0,0|2,0,0]=4 6370 B12R0.49 CCOCCCNC(C)C(=O)NC 34a_100000210961_100000731044 [0,2,0,0,0,0|2,0,0]=4 6371 B12R0.49 CCOCCCNC(F)C(=O)NC 2230a_100000210961_100009813575 [0,2,0,0,0,0|2,0,0]=4 6372 B12R0.49 CCOCCCNC(F)C(=O)NC 34a_100000210961_100009813575 [0,2,0,0,0,0|2,0,0]=4 6373 B12R0.49 CCOCCCN[C@H](C)C(=O)NC 2230a_100000684985_100012232248 [0,2,0,0,0,0|2,0,0]=4 6374 B12R0.49 CCOCCCN[C@H](C)C(=O)NC 34a_100000684985_100012232248 [0,2,0,0,0,0|2,0,0]=4 6375 B12R0.49 CCOCCCOC(C)C(=O)NC 34a_100000757476_100000731044 [0,2,0,0,0,0|2,0,0]=4 6376 B12R0.49 CCOCCCOC(C)C(=O)NC 7a_100000757476_100000209862 [0,2,0,0,0,0|2,0,0]=4 6377 B12R0.49 CCOCCCOC(C)C(=O)NN 34a_100000725659_100012232248 [0,2,0,0,0,0|2,0,0]=4 6378 B12R0.49 CCOCCCOC(F)C(=O)NC 34a_100000757476_100009813575 [0,2,0,0,0,0|2,0,0]=4 6379 B12R0.49 CCOCCCOC(F)C(=O)NC 7a_100000757476_100009813575 [0,2,0,0,0,0|2,0,0]=4 6380 B12R0.49 CCOCCCSC(C)C(=O)NC 62a_100000209862_100012232248 [0,2,0,0,0,0|2,0,0]=4 6381 B12R0.49 CCOCCCSC(C)C(=O)NC 62a_100012232248_100000731044 [0,2,0,0,0,0|2,0,0]=4 6382 B12R0.49 CCOCCCSC(F)C(=O)NC 62a_100009813575_100012232248 [0,2,0,0,0,0|2,0,0]=4 6383 B12R0.49 CCOCCCSC(F)C(=O)NC 62a_100012232248_100009813575 [0,2,0,0,0,0|2,0,0]=4 6384 B12R0.49 CCOCCNCC(=O)N(C)OC 2230a_100015207273_100011215890 [0,2,0,0,0,0|2,0,0]=4 6385 B12R0.49 CCOCCNCC(=O)N(C)OC 2230a_102516460346_100000764215 [0,2,0,0,0,0|2,0,0]=4 6386 B12R0.49 CCOCCNCC(C)C(=O)NC 2230a_100015187722_100011215890 [0,2,0,0,0,0|2,0,0]=4 6387 B12R0.49 CCOCCNCC(C)C(=O)NC 34a_100015187722_100000210147 [0,2,0,0,0,0|2,0,0]=4 6388 B12R0.49 CCOCCOCC(=O)N(C)OC 7a_100000210136_100000764215 [0,2,0,0,0,0|2,0,0]=4 6389 B12R0.49 CCOCCOCC(N)C(=O)NN 34a_100016989258_100000210147 [0,2,0,0,0,0|2,0,0]=4 6390 B12R0.49 CCOCCSCC(=O)N(C)OC 62a_100000210147_100000764215 [0,2,0,0,0,0|2,0,0]=4 6391 B12R0.49 CCOCCSCC(=O)N(C)OC 62a_100000764215_100011215890 [0,2,0,0,0,0|2,0,0]=4 6392 B12R0.49 CCSCCCOC(C)C(=O)NC 34a_100011216438_100000731044 [0,2,0,0,0,0|2,0,0]=4 6393 B12R0.49 CCSCCCOC(C)C(=O)NC 7a_100011216438_100000209862 [0,2,0,0,0,0|2,0,0]=4 6394 B12R0.49 CCSCCCOC(F)C(=O)NC 34a_100011216438_100009813575 [0,2,0,0,0,0|2,0,0]=4 6395 B12R0.49 CCSCCCOC(F)C(=O)NC 7a_100011216438_100009813575 [0,2,0,0,0,0|2,0,0]=4 6396 B12R0.49 CCSCCNCC(=O)N(C)OC 2230a_100000106463_100000764215 [0,2,0,0,0,0|2,0,0]=4 6397 B12R0.49 CCSCCNCC(=O)N(C)OC 2230a_100015207273_100000757381 [0,2,0,0,0,0|2,0,0]=4 6398 B12R0.49 CCSCCNCC(C)C(=O)NC 2230a_100015187722_100000757381 [0,2,0,0,0,0|2,0,0]=4 6399 B12R0.49 CCSCCNCC(C)C(=O)NC 34a_100015187722_100000757381 [0,2,0,0,0,0|2,0,0]=4 6400 B12R0.49 CCSCCOCC(=O)N(C)OC 7a_100000212035_100000764215 [0,2,0,0,0,0|2,0,0]=4 6401 B12R0.49 CCSCCOCC(N)C(=O)NN 34a_100016989258_100000757381 [0,2,0,0,0,0|2,0,0]=4 6402 B12R0.49 CCSCCSCC(=O)N(C)OC 62a_100000757381_100000764215 [0,2,0,0,0,0|2,0,0]=4 6403 B12R0.49 CCSCCSCC(=O)N(C)OC 62a_100000764215_100000757381 [0,2,0,0,0,0|2,0,0]=4 6404 B12R0.49 CNC(=O)C(=O)CCCCCCF 1458a_100011218921_100015922095 [0,2,0,0,0,0|1,0,1]=4 6405 B12R0.49 CNC(=O)C(=O)CCCCCCO 1458a_100011218921_100000766143 [0,2,0,0,0,0|1,0,1]=4 6406 B12R0.49 CNC(=O)C(C)CNCCCCF 2230a_100015187722_100000729493 [0,2,0,0,0,0|2,0,0]=4 6407 B12R0.49 CNC(=O)C(C)CNCCCCF 34a_100015187722_100000729493 [0,2,0,0,0,0|2,0,0]=4 6408 B12R0.49 CNC(=O)C(C)CNCCCCO 2230a_100015187722_100000210776 [0,2,0,0,0,0|2,0,0]=4 6409 B12R0.49 CNC(=O)C(C)CNCCCCO 34a_100015187722_100011216708 [0,2,0,0,0,0|2,0,0]=4 6410 B12R0.49 CNC(=O)C(C)CNCCCOC 2230a_100015187722_100000740836 [0,2,0,0,0,0|2,0,0]=4 6411 B12R0.49 CNC(=O)C(C)CNCCCOC 34a_100015187722_100000740836 [0,2,0,0,0,0|2,0,0]=4 6412 B12R0.49 CNC(=O)C(C)NCCCCCO 2230a_100000762737_100000731044 [0,2,0,0,0,0|2,0,0]=4 6413 B12R0.49 CNC(=O)C(C)NCCCCCO 34a_100000762737_100000731044 [0,2,0,0,0,0|2,0,0]=4 6414 B12R0.49 CNC(=O)C(C)OCCCCCBr 34a_100000746331_100000731044 [0,2,0,0,0,0|2,0,0]=4 6415 B12R0.49 CNC(=O)C(C)OCCCCCBr 7a_100000746331_100000209862 [0,2,0,0,0,0|2,0,0]=4 6416 B12R0.49 CNC(=O)C(C)OCCCCCCl 34a_100000746330_100000731044 [0,2,0,0,0,0|2,0,0]=4 6417 B12R0.49 CNC(=O)C(C)OCCCCCCl 7a_100000746330_100000209862 [0,2,0,0,0,0|2,0,0]=4 6418 B12R0.49 CNC(=O)C(C)OCCCCCI 34a_200012148887_100000731044 [0,2,0,0,0,0|2,0,0]=4 6419 B12R0.49 CNC(=O)C(C)OCCCCCI 7a_200012148887_100000209862 [0,2,0,0,0,0|2,0,0]=4 6420 B12R0.49 CNC(=O)C(C)OCCCCCN 34a_100000762737_100000731044 [0,2,0,0,0,0|2,0,0]=4 6421 B12R0.49 CNC(=O)C(C)OCCCCOC 34a_100000740925_100000731044 [0,2,0,0,0,0|2,0,0]=4 6422 B12R0.49 CNC(=O)C(C)OCCCCSC 34a_100011217163_100000731044 [0,2,0,0,0,0|2,0,0]=4 6423 B12R0.49 CNC(=O)C(C)OCCCCSC 7a_100011217163_100000209862 [0,2,0,0,0,0|2,0,0]=4 6424 B12R0.49 CNC(=O)C(C)SCCCCCF 62a_100000209862_100000729378 [0,2,0,0,0,0|2,0,0]=4 6425 B12R0.49 CNC(=O)C(C)SCCCCCF 62a_100000729378_100000731044 [0,2,0,0,0,0|2,0,0]=4 6426 B12R0.49 CNC(=O)C(C)SCCCCCO 62a_100000209862_100000746330 [0,2,0,0,0,0|2,0,0]=4 6427 B12R0.49 CNC(=O)C(C)SCCCCCO 62a_100000746330_100000731044 [0,2,0,0,0,0|2,0,0]=4 6428 B12R0.49 CNC(=O)C(C)SCCCCOC 62a_100000209862_100000730899 [0,2,0,0,0,0|2,0,0]=4 6429 B12R0.49 CNC(=O)C(C)SCCCCOC 62a_100000730899_100000731044 [0,2,0,0,0,0|2,0,0]=4 6430 B12R0.49 CNC(=O)C(F)NCCCCCO 2230a_100000762737_100009813575 [0,2,0,0,0,0|2,0,0]=4 6431 B12R0.49 CNC(=O)C(F)NCCCCCO 34a_100000762737_100009813575 [0,2,0,0,0,0|2,0,0]=4 6432 B12R0.49 CNC(=O)C(F)OCCCCCBr 34a_100000746331_100009813575 [0,2,0,0,0,0|2,0,0]=4 6433 B12R0.49 CNC(=O)C(F)OCCCCCBr 7a_100000746331_100009813575 [0,2,0,0,0,0|2,0,0]=4 6434 B12R0.49 CNC(=O)C(F)OCCCCCCl 34a_100000746330_100009813575 [0,2,0,0,0,0|2,0,0]=4 6435 B12R0.49 CNC(=O)C(F)OCCCCCCl 7a_100000746330_100009813575 [0,2,0,0,0,0|2,0,0]=4 6436 B12R0.49 CNC(=O)C(F)OCCCCCI 34a_200012148887_100009813575 [0,2,0,0,0,0|2,0,0]=4 6437 B12R0.49 CNC(=O)C(F)OCCCCCI 7a_200012148887_100009813575 [0,2,0,0,0,0|2,0,0]=4 6438 B12R0.49 CNC(=O)C(F)OCCCCCN 34a_100000762737_100009813575 [0,2,0,0,0,0|2,0,0]=4 6439 B12R0.49 CNC(=O)C(F)OCCCCOC 34a_100000740925_100009813575 [0,2,0,0,0,0|2,0,0]=4 6440 B12R0.49 CNC(=O)C(F)OCCCCSC 34a_100011217163_100009813575 [0,2,0,0,0,0|2,0,0]=4 6441 B12R0.49 CNC(=O)C(F)OCCCCSC 7a_100011217163_100009813575 [0,2,0,0,0,0|2,0,0]=4 6442 B12R0.49 CNC(=O)C(F)SCCCCCF 62a_100000729378_100009813575 [0,2,0,0,0,0|2,0,0]=4 6443 B12R0.49 CNC(=O)C(F)SCCCCCF 62a_100009813575_100000729378 [0,2,0,0,0,0|2,0,0]=4 6444 B12R0.49 CNC(=O)C(F)SCCCCCO 62a_100000746330_100009813575 [0,2,0,0,0,0|2,0,0]=4 6445 B12R0.49 CNC(=O)C(F)SCCCCCO 62a_100009813575_100000746330 [0,2,0,0,0,0|2,0,0]=4 6446 B12R0.49 CNC(=O)C(F)SCCCCOC 62a_100000730899_100009813575 [0,2,0,0,0,0|2,0,0]=4 6447 B12R0.49 CNC(=O)C(F)SCCCCOC 62a_100009813575_100000730899 [0,2,0,0,0,0|2,0,0]=4 6448 B12R0.49 CNC(=O)[C@@H](C)NCCCCCF 2230a_100000684985_100000729378 [0,2,0,0,0,0|2,0,0]=4 6449 B12R0.49 CNC(=O)[C@@H](C)NCCCCCF 34a_100000684985_100000729378 [0,2,0,0,0,0|2,0,0]=4 6450 B12R0.49 CNC(=O)[C@@H](C)NCCCCCO 2230a_100000684985_100000746330 [0,2,0,0,0,0|2,0,0]=4 6451 B12R0.49 CNC(=O)[C@@H](C)NCCCCCO 34a_100000684985_100000746330 [0,2,0,0,0,0|2,0,0]=4 6452 B12R0.49 CNC(=O)[C@@H](C)NCCCCOC 2230a_100000684985_100000730899 [0,2,0,0,0,0|2,0,0]=4 6453 B12R0.49 CNC(=O)[C@@H](C)NCCCCOC 34a_100000684985_100000755781 [0,2,0,0,0,0|2,0,0]=4 6454 B12R0.49 COC(C)C(=O)CCCCCCF 1458a_100000743197_100015922095 [0,2,0,0,0,0|2,0,0]=4 6455 B12R0.49 COC(C)C(=O)CCCCCCO 1458a_100000743197_100000766143 [0,2,0,0,0,0|2,0,0]=4 6456 B12R0.49 COCCCCOC(C)C(=O)NN 34a_100000725659_100000755781 [0,2,0,0,0,0|2,0,0]=4 6457 B12R0.49 COCCCNCC(=O)N(C)OC 2230a_100015207273_100000740836 [0,2,0,0,0,0|2,0,0]=4 6458 B12R0.49 COCCCOCC(N)C(=O)NN 34a_100016989258_100000740836 [0,2,0,0,0,0|2,0,0]=4 6459 B12R0.49 COCCCSCC(=O)N(C)OC 62a_100000709357_100000764215 [0,2,0,0,0,0|2,0,0]=4 6460 B12R0.49 COCCCSCC(=O)N(C)OC 62a_100000764215_100000709357 [0,2,0,0,0,0|2,0,0]=4 6461 B12R0.49 COCSCCCC(=O)N(C)OC 62a_100000766300_100011842776 [0,2,0,0,0,0|2,0,0]=4 6462 B12R0.49 COCSCCCC(=O)N(C)OC 62a_100011842776_100000766300 [0,2,0,0,0,0|2,0,0]=4 6463 B12R0.49 CON(C)C(=O)CCCSCCF 62a_100011217306_100011842776 [0,2,0,0,0,0|2,0,0]=4 6464 B12R0.49 CON(C)C(=O)CCCSCCF 62a_100011842776_100011217306 [0,2,0,0,0,0|2,0,0]=4 6465 B12R0.49 CON(C)C(=O)CCCSCCO 62a_100000211926_100011842776 [0,2,0,0,0,0|2,0,0]=4 6466 B12R0.49 CON(C)C(=O)CCCSCCO 62a_100011842776_100000211926 [0,2,0,0,0,0|2,0,0]=4 6467 B12R0.49 CON(C)C(=O)CCCSCSC 62a_100011218213_100011842776 [0,2,0,0,0,0|2,0,0]=4 6468 B12R0.49 CON(C)C(=O)CCCSCSC 62a_100011842776_100011218213 [0,2,0,0,0,0|2,0,0]=4 6469 B12R0.49 CON(C)C(=O)CNCCCCF 2230a_100015207273_100000729493 [0,2,0,0,0,0|2,0,0]=4 6470 B12R0.49 CON(C)C(=O)CNCCCCO 2230a_100000750430_100000764215 [0,2,0,0,0,0|2,0,0]=4 6471 B12R0.49 CON(C)C(=O)CNCCCCO 2230a_100015207273_100000210776 [0,2,0,0,0,0|2,0,0]=4 6472 B12R0.49 CON(C)C(=O)CNCCCSC 2230a_100000749238_100000764215 [0,2,0,0,0,0|2,0,0]=4 6473 B12R0.49 CON(C)C(=O)COCCCCCl 7a_100000210776_100000764215 [0,2,0,0,0,0|2,0,0]=4 6474 B12R0.49 CON(C)C(=O)COCCCCF 7a_100011995726_100000764215 [0,2,0,0,0,0|2,0,0]=4 6475 B12R0.49 CON(C)C(=O)COCCCSC 7a_100000690336_100000764215 [0,2,0,0,0,0|2,0,0]=4 6476 B12R0.49 CON(C)C(=O)CSCCCCF 62a_100000729493_100000764215 [0,2,0,0,0,0|2,0,0]=4 6477 B12R0.49 CON(C)C(=O)CSCCCCF 62a_100000764215_100000729493 [0,2,0,0,0,0|2,0,0]=4 6478 B12R0.49 CON(C)C(=O)CSCCCCO 62a_100000210776_100000764215 [0,2,0,0,0,0|2,0,0]=4 6479 B12R0.49 CON(C)C(=O)CSCCCCO 62a_100000764215_100000210776 [0,2,0,0,0,0|2,0,0]=4 6480 B12R0.49 NNC(=O)C(N)COCCCCF 34a_100016989258_100000729493 [0,2,0,0,0,0|2,0,0]=4 6481 B12R0.49 NNC(=O)C(N)COCCCCO 34a_100016989258_100011216708 [0,2,0,0,0,0|2,0,0]=4 6482 B12R0.49 O=C(CCCCCCF)C(O)CO 1458a_100011215603_100015922095 [0,2,0,0,0,0|2,0,0]=4 6483 B12R0.49 O=C(CCCCCCO)C(O)CO 1458a_100011215603_100000766143 [0,2,0,0,0,0|2,0,0]=4 6484 B12R0.101 C#CCC(=O)CCC(C)CCCC 1458a_100000033779_100000184674 [0,2,0,0,0,0|2,0,0]=4 6485 B12R0.101 C=CCC(=O)CCC(C)CCCC 1458a_100000033779_100000210623 [0,2,0,0,0,0|2,0,0]=4 6486 B12R0.101 CC(CCCCl)OCC(=O)NCO 34a_200000718107_100000185155 [0,2,0,0,0,0|2,0,0]=4 6487 B12R0.101 CC(CCCCl)OCC(=O)NCO 7a_200000718107_100000185155 [0,2,0,0,0,0|2,0,0]=4 6488 B12R0.101 CCCCC(=O)CCC(=O)NCC 1458a_100000199579_100000210211 [0,2,0,0,0,0|1,0,1]=4 6489 B12R0.101 CCCCC(C)CCC(=O)CC#N 1458a_100000033779_100011214920 [0,2,0,0,0,0|2,0,0]=4 6490 B12R0.101 CCCCC(C)CCC(=O)CCC 1458a_100000033779_100000210303 [0,2,0,0,0,0|2,0,0]=4 6491 B12R0.101 CCCCC(C)CCC(=O)CCF 1458a_100000033779_100011217306 [0,2,0,0,0,0|2,0,0]=4 6492 B12R0.101 CCCCC(C)CCC(=O)CCO 1458a_100000033779_100000211926 [0,2,0,0,0,0|1,0,0]=3 6493 B12R0.101 CCCCC(C)CCC(=O)NCC 11a_100015525214_100000033779 [0,2,0,0,0,0|1,0,0]=3 6494 B12R0.101 CCCCC(C)CCC(=O)NCC 240690a_100015525214_100000033779 [0,2,0,0,0,0|1,0,0]=3 6495 B12R0.101 CCCCC(C)CCC(=O)NCC 527a_100015525214_100000033779 [0,2,0,0,0,0|1,0,0]=3 6496 B12R0.101 CCCCC(C)CCC(=O)NNC 22a_100016993582_100000033779 [0,2,0,0,0,0|1,0,0]=3 6497 B12R0.101 CCCCC(C)NCC(=O)NCC 2230a_100000126638_100000183381 [0,2,0,0,0,0|2,0,0]=4 6498 B12R0.101 CCCCC(C)NCC(=O)NCC 2230a_100016988866_200011215066 [0,2,0,0,0,0|2,0,0]=4 6499 B12R0.101 CCCCC(C)NCC(=O)NCC 270004a_100016988866_100000210087 [0,2,0,0,0,0|2,0,0]=4 6500 B12R0.101 CCCCC(C)NCC(=O)NCO 2230a_100000126638_100000185155 [0,2,0,0,0,0|1,0,0]=3 6501 B12R0.101 CCCCC(C)OCC(=O)NCC 34a_100000687866_100000183381 [0,2,0,0,0,0|2,0,0]=4 6502 B12R0.101 CCCCC(C)OCC(=O)NCC 7a_100000687866_100000183381 [0,2,0,0,0,0|2,0,0]=4 6503 B12R0.101 CCCCC(C)OCC(=O)NCO 34a_100000687866_100000185155 [0,2,0,0,0,0|1,0,0]=3 6504 B12R0.101 CCCCC(C)OCC(=O)NCO 7a_100000687866_100000185155 [0,2,0,0,0,0|1,0,0]=3 6505 B12R0.101 CCCCC(C)SCC(=O)NCC 62a_100000183381_200011215066 [0,2,0,0,0,0|2,0,0]=4 6506 B12R0.101 CCCCC(C)SCC(=O)NCC 62a_200011215066_100000183381 [0,2,0,0,0,0|2,0,0]=4 6507 B12R0.101 CCCCC(C)SCC(=O)NCO 62a_100000185155_200011215066 [0,2,0,0,0,0|1,0,0]=3 6508 B12R0.101 CCCCC(C)SCC(=O)NCO 62a_200011215066_100000185155 [0,2,0,0,0,0|1,0,0]=3 6509 B12R0.101 CCCCN(C)CCC(=O)NCC 2230a_100000207549_100000737597 [0,2,0,0,0,0|2,0,0]=4 6510 B12R0.101 CCCCN(C)CCC(=O)NCC 269982a_100000207549_100000737597 [0,2,0,0,0,0|2,0,0]=4 6511 B12R0.101 CCOCC(C)OCC(=O)NCO 34a_100000718985_100000185155 [0,2,0,0,0,0|2,0,0]=4 6512 B12R0.101 CCOCC(C)OCC(=O)NCO 7a_100000718985_100000185155 [0,2,0,0,0,0|2,0,0]=4 6513 B12R0.114 C#CCC(=O)C(C)CCCCCC 1458a_100011220946_100011215978 [0,2,0,0,0,0|2,0,0]=4 6514 B12R0.114 C#CCC(=O)C(O)CCCCCC 1458a_100011215828_100000184674 [0,2,0,0,0,0|2,0,0]=4 6515 B12R0.114 C=CCC(=O)C(C)CCCCCC 1458a_100000210193_100011215978 [0,2,0,0,0,0|2,0,0]=4 6516 B12R0.114 C=CCC(=O)C(O)CCCCCC 1458a_100011215828_100000210623 [0,2,0,0,0,0|2,0,0]=4 6517 B12R0.114 CC#CC(=O)C(C)CCCCCC 1458a_100000763181_100011215978 [0,2,0,0,0,0|2,0,0]=4 6518 B12R0.114 CC=CC(=O)C(C)CCCCCC 1458a_100000210699_100011215978 [0,2,0,0,0,0|2,0,0]=4 6519 B12R0.114 CCCCCCC(=O)C(=O)NCC 1458a_200011297158_100000210757 [0,2,0,0,0,0|1,0,1]=4 6520 B12R0.114 CCCCCCC(C)C(=O)C=CBr 1458a_100016273825_100011215978 [0,2,0,0,0,0|2,0,0]=4 6521 B12R0.114 CCCCCCC(C)C(=O)C=CCl 1458a_200016279998_100011215978 [0,2,0,0,0,0|2,0,0]=4 6522 B12R0.114 CCCCCCC(C)C(=O)C=CI 1458a_100016256311_100011215978 [0,2,0,0,0,0|2,0,0]=4 6523 B12R0.114 CCCCCCC(C)C(=O)CC#N 1458a_100051588842_100011215978 [0,2,0,0,0,0|2,0,0]=4 6524 B12R0.114 CCCCCCC(C)C(=O)CCC 1458a_100000211992_100011215978 [0,2,0,0,0,0|2,0,0]=4 6525 B12R0.114 CCCCCCC(C)C(=O)CCO 1458a_100011216618_100011215978 [0,2,0,0,0,0|1,0,0]=3 6526 B12R0.114 CCCCCCC(C)C(=O)COC 1458a_100000210968_100011215978 [0,2,0,0,0,0|1,0,0]=3 6527 B12R0.114 CCCCCCC(C)C(=O)CSC 1458a_100000184570_100011215978 [0,2,0,0,0,0|1,1,0]=4 6528 B12R0.114 CCCCCCC(O)C(=O)CC#N 1458a_100011215828_100011214920 [0,2,0,0,0,0|2,0,0]=4 6529 B12R0.114 CCCCCCC(O)C(=O)CCC 1458a_100011215828_100000210303 [0,2,0,0,0,0|2,0,0]=4 6530 B12R0.114 CCCCCCC(O)C(=O)CCF 1458a_100011215828_100011217306 [0,2,0,0,0,0|2,0,0]=4 6531 B12R0.114 CCCCCCC(O)C(=O)CCO 1458a_100011215828_100000211926 [0,2,0,0,0,0|1,0,0]=3 6532 B12R0.114 CCCCCCC(O)C(=O)NCC 240690a_100015525214_100011215828 [0,2,0,0,0,0|1,0,0]=3 6533 B12R0.114 CCCCCCC(O)C(=O)NNC 22a_100016993582_100011215828 [0,2,0,0,0,0|1,0,0]=3 6534 B12R0.114 CCCCCCN(C)C(=O)CCO 240690a_106256046315_100011216618 [0,2,0,0,0,0|2,0,0]=4 6535 B12R0.114 CCCCCCN(C)C(=O)COC 11a_106256046315_100000210968 [0,2,0,0,0,0|2,0,0]=4 6536 B12R0.114 CCCCCCN(C)C(=O)COC 1626a_106256046315_100000210968 [0,2,0,0,0,0|2,0,0]=4 6537 B12R0.114 CCCCCCN(C)C(=O)COC 240690a_106256046315_100000210968 [0,2,0,0,0,0|2,0,0]=4 6538 B12R0.114 CCCCCCN(C)C(=O)COC 527a_106256046315_100000210968 [0,2,0,0,0,0|2,0,0]=4 6539 B12R0.114 CCCCCCN(C)C(=O)NCC 2708a_100015525214_106256046315 [0,2,0,0,0,0|2,0,0]=4 6540 B12R0.114 CCCCCCN(C)C(=O)NCC 273464a_100015525214_106256046315 [0,2,0,0,0,0|2,0,0]=4 6541 B12R0.114 CCCCCNC(C)C(=O)NCC 2230a_100000209983_100000230173 [0,2,0,0,0,0|2,0,0]=4 6542 B12R0.114 CCCCCNC(C)C(=O)NCC 2230a_100000736553_100000210326 [0,2,0,0,0,0|2,0,0]=4 6543 B12R0.114 CCCCCNC(C)C(=O)NCC 34a_100000736553_100000718602 [0,2,0,0,0,0|2,0,0]=4 6544 B12R0.114 CCCCCOC(C)C(=O)NCC 34a_100000210253_100000230173 [0,2,0,0,0,0|2,0,0]=4 6545 B12R0.114 CCCCCOC(C)C(=O)NCC 7a_100000210253_100000230173 [0,2,0,0,0,0|2,0,0]=4 6546 B12R0.114 CCCCCSC(C)C(=O)NCC 62a_100000210326_100000230173 [0,2,0,0,0,0|2,0,0]=4 6547 B12R0.114 CCCCCSC(C)C(=O)NCC 62a_100000230173_100000210326 [0,2,0,0,0,0|2,0,0]=4 6548 B12R0.206 C#CCCC(=O)CCCCCCC 1458a_100000211969_100000753159 [0,2,0,0,0,0|2,0,0]=4 6549 B12R0.206 C#CCCC(=O)CCCCCCC 1458a_100000692101_100000210614 [0,2,0,0,0,0|2,0,0]=4 6550 B12R0.206 C#CCCCCCC(=O)NCCO 240690a_100000210304_100000694772 [0,2,0,0,0,0|0,0,2]=4 6551 B12R0.206 C#CCCCCCC(=O)NCCO 527a_100000210304_100000694772 [0,2,0,0,0,0|0,0,2]=4 6552 B12R0.206 C#CCNC(=O)CCCCCCC 11a_100000212058_100000211969 [0,2,0,0,0,0|1,0,0]=3 6553 B12R0.206 C#CCNC(=O)CCCCCCC 1626a_100000212058_100000211969 [0,2,0,0,0,0|1,0,0]=3 6554 B12R0.206 C#CCNC(=O)CCCCCCC 240690a_100000212058_100000211969 [0,2,0,0,0,0|1,0,0]=3 6555 B12R0.206 C#CCNC(=O)CCCCCCC 527a_100000212058_100000211969 [0,2,0,0,0,0|1,0,0]=3 6556 B12R0.206 C#CCNC(=O)CCCCCCO 240690a_100000212058_100011996774 [0,2,0,0,0,0|2,0,0]=4 6557 B12R0.206 C#CCNC(=O)CCCCCOC 11a_100000212058_100011935119 [0,2,0,0,0,0|2,0,0]=4 6558 B12R0.206 C#CCNC(=O)CCCCCOC 1626a_100000212058_100011935119 [0,2,0,0,0,0|2,0,0]=4 6559 B12R0.206 C#CCNC(=O)CCCCCOC 240690a_100000212058_100011935119 [0,2,0,0,0,0|2,0,0]=4 6560 B12R0.206 C#CCNC(=O)CCCCCOC 527a_100000212058_100011935119 [0,2,0,0,0,0|2,0,0]=4 6561 B12R0.206 C#CCNC(=O)CNCCCCC 2230a_100000747989_100000210326 [0,2,0,0,0,0|2,0,0]=4 6562 B12R0.206 C#CCNC(=O)CNCCCCC 34a_100000747989_100000718602 [0,2,0,0,0,0|2,0,0]=4 6563 B12R0.206 C#CCNC(=O)NCCCCCC 2708a_100000210581_100000212058 [0,2,0,0,0,0|2,0,0]=4 6564 B12R0.206 C#CCNC(=O)NCCCCCC 2708a_100000212058_100000210581 [0,2,0,0,0,0|2,0,0]=4 6565 B12R0.206 C#CCNC(=O)NCCCCCC 273464a_100000210581_100000212058 [0,2,0,0,0,0|2,0,0]=4 6566 B12R0.206 C#CCNC(=O)NCCCCCC 273464a_100000212058_100000210581 [0,2,0,0,0,0|2,0,0]=4 6567 B12R0.206 C#CCNC(=O)NCCCCCC 512a_100000210581_100000212058 [0,2,0,0,0,0|2,0,0]=4 6568 B12R0.206 C#CCNC(=O)NCCCCCC 512a_100000212058_100000210581 [0,2,0,0,0,0|2,0,0]=4 6569 B12R0.206 C/C=C/CC(=O)CCCCCCC 1458a_100000211969_100102629194 [0,2,0,0,0,0|2,0,0]=4 6570 B12R0.206 C=CC=CC(=O)CCCCCCC 1458a_100016291481_100000210614 [0,2,0,0,0,0|2,0,0]=4 6571 B12R0.206 C=CCCC(=O)CCCCCCC 1458a_100000211969_100000754431 [0,2,0,0,0,0|2,0,0]=4 6572 B12R0.206 C=CCCC(=O)CCCCCCC 1458a_100000749702_100000210614 [0,2,0,0,0,0|2,0,0]=4 6573 B12R0.206 C=CCCCCCC(=O)NCCO 240690a_100000210304_100011934241 [0,2,0,0,0,0|0,0,2]=4 6574 B12R0.206 C=CCCCCCC(=O)NCCO 527a_100000210304_100011934241 [0,2,0,0,0,0|0,0,2]=4 6575 B12R0.206 C=CCNC(=O)CCCCCCC 1626a_100020586998_100000211969 [0,2,0,0,0,0|1,0,0]=3 6576 B12R0.206 C=CCNC(=O)CCCCCCC 240690a_100020586998_100000211969 [0,2,0,0,0,0|1,0,0]=3 6577 B12R0.206 C=CCNC(=O)CCCCCCC 527a_100020586998_100000211969 [0,2,0,0,0,0|1,0,0]=3 6578 B12R0.206 C=CCNC(=O)CCCCCCO 240690a_100020586998_100011996774 [0,2,0,0,0,0|2,0,0]=4 6579 B12R0.206 C=CCNC(=O)CCCCCOC 1626a_100020586998_100011935119 [0,2,0,0,0,0|2,0,0]=4 6580 B12R0.206 C=CCNC(=O)CCCCCOC 240690a_100020586998_100011935119 [0,2,0,0,0,0|2,0,0]=4 6581 B12R0.206 C=CCNC(=O)CCCCCOC 527a_100020586998_100011935119 [0,2,0,0,0,0|2,0,0]=4 6582 B12R0.206 C=CCNC(=O)CCNCCCC 2230a_100000102301_100011222895 [0,2,0,0,0,0|2,0,0]=4 6583 B12R0.206 C=CCNC(=O)CCNCCCC 7a_106832991798_100011222895 [0,2,0,0,0,0|2,0,0]=4 6584 B12R0.206 C=CCNC(=O)CCOCCCC 7a_100000210227_100011222895 [0,2,0,0,0,0|2,0,0]=4 6585 B12R0.206 C=CCNC(=O)CCSCCCC 62a_100000210211_100011222895 [0,2,0,0,0,0|2,0,0]=4 6586 B12R0.206 C=CCNC(=O)CCSCCCC 62a_100011222895_100000210210 [0,2,0,0,0,0|2,0,0]=4 6587 B12R0.206 C=CCNC(=O)CNCCCCC 2230a_100000209983_100000183597 [0,2,0,0,0,0|2,0,0]=4 6588 B12R0.206 C=CCNC(=O)COCCCCC 7a_100000210253_100000183597 [0,2,0,0,0,0|2,0,0]=4 6589 B12R0.206 C=CCNC(=O)CSCCCCC 62a_100000183597_100000210326 [0,2,0,0,0,0|2,0,0]=4 6590 B12R0.206 C=CCNC(=O)CSCCCCC 62a_100000210326_100000183597 [0,2,0,0,0,0|2,0,0]=4 6591 B12R0.206 C=CCNC(=O)NCCCCCC 2708a_100000210581_100020586998 [0,2,0,0,0,0|2,0,0]=4 6592 B12R0.206 C=CCNC(=O)NCCCCCC 273464a_100000210581_100020586998 [0,2,0,0,0,0|2,0,0]=4 6593 B12R0.206 C=CCNC(=O)NCCCCCC 273464a_100020586998_100000210581 [0,2,0,0,0,0|2,0,0]=4 6594 B12R0.206 C=CCNC(=O)NCCCCCC 512a_100000210581_100020586998 [0,2,0,0,0,0|2,0,0]=4 6595 B12R0.206 C=CCNC(=O)NCCCCCC 512a_100020586998_100000210581 [0,2,0,0,0,0|2,0,0]=4 6596 B12R0.206 CC#CCC(=O)CCCCCCC 1458a_100000211969_100000748600 [0,2,0,0,0,0|2,0,0]=4 6597 B12R0.206 CC=CCC(=O)CCCCCCC 1458a_100000211969_100000070051 [0,2,0,0,0,0|2,0,0]=4 6598 B12R0.206 CC=CCC(=O)CCCCCCC 1458a_100121576822_100000210614 [0,2,0,0,0,0|2,0,0]=4 6599 B12R0.206 CC=NNC(=O)CCCCCCC 4a_100000181853_200000210099 [0,2,0,0,0,0|1,0,0]=3 6600 B12R0.206 CCC#CC(=O)CCCCCCC 1458a_100011827653_100000210614 [0,2,0,0,0,0|2,0,0]=4 6601 B12R0.206 CCC=CC(=O)CCCCCCC 1458a_100000212282_100000210614 [0,2,0,0,0,0|2,0,0]=4 6602 B12R0.206 CCCC/C=C/CC(=O)NCCO 240690a_100000210304_200016282684 [0,2,0,0,0,0|0,0,2]=4 6603 B12R0.206 CCCC/C=C/CC(=O)NCCO 527a_100000210304_200016282684 [0,2,0,0,0,0|0,0,2]=4 6604 B12R0.206 CCCCCC#CC(=O)NCCO 240690a_100000210304_100011215388 [0,2,0,0,0,0|0,0,2]=4 6605 B12R0.206 CCCCCC=CC(=O)NCCO 240690a_100000210304_100016263427 [0,2,0,0,0,0|0,0,2]=4 6606 B12R0.206 CCCCCCCC(=NNCC)C 4a_100000756455_100000210596 [0,2,0,0,0,0|2,0,0]=4 6607 B12R0.206 CCCCCCCC(=O)C#CCO 1458a_100000049017_100000210614 [0,2,0,0,0,0|1,0,0]=3 6608 B12R0.206 CCCCCCCC(=O)C=COC 1458a_100016268678_100000210614 [0,2,0,0,0,0|1,0,0]=3 6609 B12R0.206 CCCCCCCC(=O)CCC#N 1458a_100000211969_100011215226 [0,2,0,0,0,0|2,0,0]=4 6610 B12R0.206 CCCCCCCC(=O)CCC#N 1458a_100011934036_100000210614 [0,2,0,0,0,0|2,0,0]=4 6611 B12R0.206 CCCCCCCC(=O)CCCC 1458a_100000210183_100000210614 [0,2,0,0,0,0|2,0,0]=4 6612 B12R0.206 CCCCCCCC(=O)CCCC 1458a_100000211969_100000210211 [0,2,0,0,0,0|2,0,0]=4 6613 B12R0.206 CCCCCCCC(=O)CCCF 1458a_100000211969_100011934791 [0,2,0,0,0,0|2,0,0]=4 6614 B12R0.206 CCCCCCCC(=O)CCCO 1458a_100000211969_100011215043 [0,2,0,0,0,0|1,0,0]=3 6615 B12R0.206 CCCCCCCC(=O)CCOC 1458a_100000211969_100000233755 [0,2,0,0,0,0|1,0,0]=3 6616 B12R0.206 CCCCCCCC(=O)CCOC 1458a_100000749529_100000210614 [0,2,0,0,0,0|1,0,0]=3 6617 B12R0.206 CCCCCCCC(=O)CCSC 1458a_100000174002_100000210614 [0,2,0,0,0,0|1,1,0]=4 6618 B12R0.206 CCCCCCCC(=O)CCSC 1458a_100000211969_100000751147 [0,2,0,0,0,0|1,1,0]=4 6619 B12R0.206 CCCCCCCC(=O)COCC 1458a_100000211967_100000210614 [0,2,0,0,0,0|1,0,0]=3 6620 B12R0.206 CCCCCCCC(=O)CSCC 1458a_100000230394_100000210614 [0,2,0,0,0,0|1,1,0]=4 6621 B12R0.206 CCCCCCCC(=O)NCC#N 1626a_100000734998_100000211969 [0,2,0,0,0,0|1,0,0]=3 6622 B12R0.206 CCCCCCCC(=O)NCC#N 527a_100000734998_100000211969 [0,2,0,0,0,0|1,0,0]=3 6623 B12R0.206 CCCCCCCC(=O)NCCC 11a_100020643023_100000211969 [0,2,0,0,0,0|1,0,0]=3 6624 B12R0.206 CCCCCCCC(=O)NCCC 1626a_100020643023_100000211969 [0,2,0,0,0,0|1,0,0]=3 6625 B12R0.206 CCCCCCCC(=O)NCCC 240690a_100020643023_100000211969 [0,2,0,0,0,0|1,0,0]=3 6626 B12R0.206 CCCCCCCC(=O)NCCC 527a_100020643023_100000211969 [0,2,0,0,0,0|1,0,0]=3 6627 B12R0.206 CCCCCCCC(=O)NCCF 11a_100000724931_100000211969 [0,2,0,0,0,0|1,0,0]=3 6628 B12R0.206 CCCCCCCC(=O)NCCF 1626a_100000724931_100000211969 [0,2,0,0,0,0|1,0,0]=3 6629 B12R0.206 CCCCCCCC(=O)NCCF 240690a_100000724931_100000211969 [0,2,0,0,0,0|1,0,0]=3 6630 B12R0.206 CCCCCCCC(=O)NCCF 527a_100000724931_100000211969 [0,2,0,0,0,0|1,0,0]=3 6631 B12R0.206 CCCCCCCC(=O)NCCO 240690a_100000210304_100000211969 [0,2,0,0,0,0|0,0,0]=2 6632 B12R0.206 CCCCCCCC(=O)NCCO 527a_100000210304_100000211969 [0,2,0,0,0,0|0,0,0]=2 6633 B12R0.206 CCCCCCCC(=O)NNCC 22a_100000756455_100000211969 [0,2,0,0,0,0|1,0,0]=3 6634 B12R0.206 CCCCCCCC(=O)OCNC 2230a_106832991635_100009852258 [0,2,0,0,0,0|1,0,0]=3 6635 B12R0.206 CCCCCCCC(=O)OCNC 34a_100102657272_100009852258 [0,2,0,0,0,0|1,0,0]=3 6636 B12R0.206 CCCCCCCC(=O)OCNC 7a_106832991635_100009852258 [0,2,0,0,0,0|1,0,0]=3 6637 B12R0.206 CCCCCCCC(=O)OCOC 34a_100138415774_100009852258 [0,2,0,0,0,0|1,0,0]=3 6638 B12R0.206 CCCCCCCC(=O)OCSC 62a_200000210301_100009852258 [0,2,0,0,0,0|1,1,0]=4 6639 B12R0.206 CCCCCCCC(=O)OCS[13CH3] 62a_200025704644_100009852258 [0,2,0,0,0,0|1,1,0]=4 6640 B12R0.206 CCCCCCCC(C)NCCO 2230a_100016997473_200011218727 [0,2,0,0,0,0|1,0,1]=4 6641 B12R0.206 CCCCCCCC(C)NCCO 270004a_100000210304_100000210596 [0,2,0,0,0,0|1,0,1]=4 6642 B12R0.206 CCCCCCCC(C)NCCO 34a_100016990907_200011218727 [0,2,0,0,0,0|1,0,1]=4 6643 B12R0.206 CCCCCCNC(=O)C=COC 1626a_100000210581_100016268678 [0,2,0,0,0,0|2,0,0]=4 6644 B12R0.206 CCCCCCNC(=O)C=COC 240690a_100000210581_100016268678 [0,2,0,0,0,0|2,0,0]=4 6645 B12R0.206 CCCCCCNC(=O)CCOC 11a_100000210581_100000749529 [0,2,0,0,0,0|2,0,0]=4 6646 B12R0.206 CCCCCCNC(=O)CCOC 1626a_100000210581_100000749529 [0,2,0,0,0,0|2,0,0]=4 6647 B12R0.206 CCCCCCNC(=O)CCOC 240690a_100000210581_100000749529 [0,2,0,0,0,0|2,0,0]=4 6648 B12R0.206 CCCCCCNC(=O)CCOC 527a_100000210581_100000749529 [0,2,0,0,0,0|2,0,0]=4 6649 B12R0.206 CCCCCCNC(=O)CNCC 2230a_100015525214_100000230325 [0,2,0,0,0,0|2,0,0]=4 6650 B12R0.206 CCCCCCNC(=O)COCC 11a_100000210581_100000211967 [0,2,0,0,0,0|2,0,0]=4 6651 B12R0.206 CCCCCCNC(=O)COCC 1626a_100000210581_100000211967 [0,2,0,0,0,0|2,0,0]=4 6652 B12R0.206 CCCCCCNC(=O)COCC 240690a_100000210581_100000211967 [0,2,0,0,0,0|2,0,0]=4 6653 B12R0.206 CCCCCCNC(=O)COCC 34a_100121572206_100000230325 [0,2,0,0,0,0|2,0,0]=4 6654 B12R0.206 CCCCCCNC(=O)COCC 527a_100000210581_100000211967 [0,2,0,0,0,0|2,0,0]=4 6655 B12R0.206 CCCCCCNC(=O)NCC#N 2708a_100000734998_100000210581 [0,2,0,0,0,0|2,0,0]=4 6656 B12R0.206 CCCCCCNC(=O)NCC#N 273464a_100000210581_100000734998 [0,2,0,0,0,0|2,0,0]=4 6657 B12R0.206 CCCCCCNC(=O)NCC#N 273464a_100000734998_100000210581 [0,2,0,0,0,0|2,0,0]=4 6658 B12R0.206 CCCCCCNC(=O)NCC#N 512a_100000210581_100000734998 [0,2,0,0,0,0|2,0,0]=4 6659 B12R0.206 CCCCCCNC(=O)NCC#N 512a_100000734998_100000210581 [0,2,0,0,0,0|2,0,0]=4 6660 B12R0.206 CCCCCCNC(=O)NCCC 2708a_100000210581_100020643023 [0,2,0,0,0,0|2,0,0]=4 6661 B12R0.206 CCCCCCNC(=O)NCCC 2708a_100020643023_100000210581 [0,2,0,0,0,0|2,0,0]=4 6662 B12R0.206 CCCCCCNC(=O)NCCC 273464a_100000210581_100020643023 [0,2,0,0,0,0|2,0,0]=4 6663 B12R0.206 CCCCCCNC(=O)NCCC 273464a_100020643023_100000210581 [0,2,0,0,0,0|2,0,0]=4 6664 B12R0.206 CCCCCCNC(=O)NCCC 512a_100000210581_100020643023 [0,2,0,0,0,0|2,0,0]=4 6665 B12R0.206 CCCCCCNC(=O)NCCC 512a_100020643023_100000210581 [0,2,0,0,0,0|2,0,0]=4 6666 B12R0.206 CCCCCCNC(=O)NCCF 2708a_100000210581_100000724931 [0,2,0,0,0,0|2,0,0]=4 6667 B12R0.206 CCCCCCNC(=O)NCCF 273464a_100000210581_100000724931 [0,2,0,0,0,0|2,0,0]=4 6668 B12R0.206 CCCCCCNC(=O)NCCF 273464a_100000724931_100000210581 [0,2,0,0,0,0|2,0,0]=4 6669 B12R0.206 CCCCCCNC(=O)NCCF 512a_100000210581_100000724931 [0,2,0,0,0,0|2,0,0]=4 6670 B12R0.206 CCCCCCNC(=O)NCCO 2708a_100000210581_100000210304 [0,2,0,0,0,0|1,0,0]=3 6671 B12R0.206 CCCCCCNC(=O)NCCO 273464a_100000210304_100000210581 [0,2,0,0,0,0|1,0,0]=3 6672 B12R0.206 CCCCCCNC(=O)NCCO 273464a_100000210581_100000210304 [0,2,0,0,0,0|1,0,0]=3 6673 B12R0.206 CCCCCCNC(=O)NCCO 512a_100000210581_100000210304 [0,2,0,0,0,0|1,0,0]=3 6674 B12R0.206 CCCCCCNC(=O)NNCC 273464a_100000210581_100000756455 [0,2,0,0,0,0|2,0,0]=4 6675 B12R0.206 CCCCCCNC(=O)NNCC 512a_100000210581_100000756455 [0,2,0,0,0,0|2,0,0]=4 6676 B12R0.206 CCCCCCNC(=O)NNCC 512a_100000756455_100000210581 [0,2,0,0,0,0|2,0,0]=4 6677 B12R0.206 CCCCCNCC(=O)NCC#N 2230a_100000209983_100000736037 [0,2,0,0,0,0|2,0,0]=4 6678 B12R0.206 CCCCCNCC(=O)NCCC 2230a_100000174927_100000210326 [0,2,0,0,0,0|2,0,0]=4 6679 B12R0.206 CCCCCNCC(=O)NCCC 2230a_100000209983_100000183358 [0,2,0,0,0,0|2,0,0]=4 6680 B12R0.206 CCCCCNCC(=O)NCCF 2230a_100000725713_100000210326 [0,2,0,0,0,0|2,0,0]=4 6681 B12R0.206 CCCCCNNC(=O)NCCO 273464a_100000210304_100000694160 [0,2,0,0,0,0|2,0,0]=4 6682 B12R0.206 CCCCCNNC(=O)NCCO 512a_100000694160_100000210304 [0,2,0,0,0,0|2,0,0]=4 6683 B12R0.206 CCCCCOCC(=O)NCC#N 7a_100000210253_100000736037 [0,2,0,0,0,0|2,0,0]=4 6684 B12R0.206 CCCCCOCC(=O)NCCC 34a_100000210253_100000183358 [0,2,0,0,0,0|2,0,0]=4 6685 B12R0.206 CCCCCOCC(=O)NCCC 7a_100000210253_100000183358 [0,2,0,0,0,0|2,0,0]=4 6686 B12R0.206 CCCCCSCC(=O)NCC#N 62a_100000210326_100000736037 [0,2,0,0,0,0|2,0,0]=4 6687 B12R0.206 CCCCCSCC(=O)NCC#N 62a_100000736037_100000210326 [0,2,0,0,0,0|2,0,0]=4 6688 B12R0.206 CCCCCSCC(=O)NCCC 62a_100000183358_100000210326 [0,2,0,0,0,0|2,0,0]=4 6689 B12R0.206 CCCCCSCC(=O)NCCC 62a_100000210326_100000183358 [0,2,0,0,0,0|2,0,0]=4 6690 B12R0.206 CCCCOCCC(=O)C#CCO 1458a_100000049017_100000743108 [0,2,0,0,0,0|2,0,0]=4 6691 B12R0.206 CCCCOCCC(=O)C=COC 1458a_100016268678_100000743108 [0,2,0,0,0,0|2,0,0]=4 6692 B12R0.206 CCCCOCCC(=O)CCOC 1458a_100000749529_100000743108 [0,2,0,0,0,0|2,0,0]=4 6693 B12R0.206 CCCCOCCC(=O)COCC 1458a_100000211967_100000743108 [0,2,0,0,0,0|2,0,0]=4 6694 B12R0.206 CCCNC(=O)CCCCCCO 240690a_100020643023_100011996774 [0,2,0,0,0,0|2,0,0]=4 6695 B12R0.206 CCCNC(=O)CCCCCOC 11a_100020643023_100011935119 [0,2,0,0,0,0|2,0,0]=4 6696 B12R0.206 CCCNC(=O)CCCCCOC 1626a_100020643023_100011935119 [0,2,0,0,0,0|2,0,0]=4 6697 B12R0.206 CCCNC(=O)CCCCCOC 240690a_100020643023_100011935119 [0,2,0,0,0,0|2,0,0]=4 6698 B12R0.206 CCCNC(=O)CCCCCOC 527a_100020643023_100011935119 [0,2,0,0,0,0|2,0,0]=4 6699 B12R0.206 CCCNC(=O)CCCSCCC 62a_100000210303_100011194427 [0,2,0,0,0,0|2,0,0]=4 6700 B12R0.206 CCCNC(=O)CCCSCCC 62a_100011194427_100000210303 [0,2,0,0,0,0|2,0,0]=4 6701 B12R0.206 CCCOCCNC(=O)NCCO 2708a_100161115042_100000210304 [0,2,0,0,0,0|2,0,0]=4 6702 B12R0.206 CCCOCCNC(=O)NCCO 273464a_100000210304_100161115042 [0,2,0,0,0,0|2,0,0]=4 6703 B12R0.206 CCCOCCNC(=O)NCCO 273464a_100161115042_100000210304 [0,2,0,0,0,0|2,0,0]=4 6704 B12R0.206 CCCOCCNC(=O)NCCO 512a_100161115042_100000210304 [0,2,0,0,0,0|2,0,0]=4 6705 B12R0.206 CCCSCCNC(=O)NCCO 2708a_100020603323_100000210304 [0,2,0,0,0,0|2,0,0]=4 6706 B12R0.206 CCCSCCNC(=O)NCCO 273464a_100000210304_100020603323 [0,2,0,0,0,0|2,0,0]=4 6707 B12R0.206 CCCSCCNC(=O)NCCO 273464a_100020603323_100000210304 [0,2,0,0,0,0|2,0,0]=4 6708 B12R0.206 CCCSCCNC(=O)NCCO 512a_100020603323_100000210304 [0,2,0,0,0,0|2,0,0]=4 6709 B12R0.206 CCNNC(=O)CCCCCOC 22a_100000756455_100011935119 [0,2,0,0,0,0|2,0,0]=4 6710 B12R0.206 CCOCC(=O)CCCCCCF 1458a_100000211967_100015922095 [0,2,0,0,0,0|2,0,0]=4 6711 B12R0.206 CCOCC(=O)CCCCCCO 1458a_100000211967_100000766143 [0,2,0,0,0,0|2,0,0]=4 6712 B12R0.206 CCOCCCNC(=O)NCCO 2708a_100000210961_100000210304 [0,2,0,0,0,0|2,0,0]=4 6713 B12R0.206 CCOCCCNC(=O)NCCO 273464a_100000210304_100000210961 [0,2,0,0,0,0|2,0,0]=4 6714 B12R0.206 CCOCCCNC(=O)NCCO 273464a_100000210961_100000210304 [0,2,0,0,0,0|2,0,0]=4 6715 B12R0.206 CCOCCCNC(=O)NCCO 512a_100000210961_100000210304 [0,2,0,0,0,0|2,0,0]=4 6716 B12R0.206 COC=CC(=O)CCCCCCF 1458a_100016268678_100015922095 [0,2,0,0,0,0|2,0,0]=4 6717 B12R0.206 COC=CC(=O)CCCCCCO 1458a_100016268678_100000766143 [0,2,0,0,0,0|2,0,0]=4 6718 B12R0.206 COCCC(=O)CCCCCCF 1458a_100000749529_100015922095 [0,2,0,0,0,0|2,0,0]=4 6719 B12R0.206 COCCC(=O)CCCCCCO 1458a_100000749529_100000766143 [0,2,0,0,0,0|2,0,0]=4 6720 B12R0.206 COCCC(=O)CCCCCCO 1458a_100011996774_100000233755 [0,2,0,0,0,0|2,0,0]=4 6721 B12R0.206 COCCCCCC(=O)CCCO 1458a_100011935119_100011215043 [0,2,0,0,0,0|2,0,0]=4 6722 B12R0.206 COCCCCCC(=O)CCOC 1458a_100011935119_100000233755 [0,2,0,0,0,0|2,0,0]=4 6723 B12R0.206 COCCCCCC(=O)NCC#N 1626a_100000734998_100011935119 [0,2,0,0,0,0|2,0,0]=4 6724 B12R0.206 COCCCCCC(=O)NCC#N 527a_100000734998_100011935119 [0,2,0,0,0,0|2,0,0]=4 6725 B12R0.206 COCCCCCC(=O)NCCF 11a_100000724931_100011935119 [0,2,0,0,0,0|2,0,0]=4 6726 B12R0.206 COCCCCCC(=O)NCCF 1626a_100000724931_100011935119 [0,2,0,0,0,0|2,0,0]=4 6727 B12R0.206 COCCCCCC(=O)NCCF 240690a_100000724931_100011935119 [0,2,0,0,0,0|2,0,0]=4 6728 B12R0.206 COCCCCCC(=O)NCCF 527a_100000724931_100011935119 [0,2,0,0,0,0|2,0,0]=4 6729 B12R0.206 COCCCCCC(=O)NCCO 240690a_100000210304_100011935119 [0,2,0,0,0,0|1,0,0]=3 6730 B12R0.206 COCCCCCC(=O)NCCO 527a_100000210304_100011935119 [0,2,0,0,0,0|1,0,0]=3 6731 B12R0.206 COCCOCCC(=O)NCCO 240690a_100000210304_100000745395 [0,2,0,0,0,0|2,0,0]=4 6732 B12R0.206 COCCOCCC(=O)NCCO 527a_100000210304_100000745395 [0,2,0,0,0,0|2,0,0]=4 6733 B12R0.206 O=C(C#CCO)CCCCCCF 1458a_100000049017_100015922095 [0,2,0,0,0,0|2,0,0]=4 6734 B12R0.206 O=C(C#CCO)CCCCCCO 1458a_100000049017_100000766143 [0,2,0,0,0,0|2,0,0]=4 6735 B12R0.206 O=C(CCCCCCO)NCCF 240690a_100000724931_100011996774 [0,2,0,0,0,0|2,0,0]=4 6736 B12R0.206 O=C(CCCCCCO)NCCO 240690a_100000210304_100011996774 [0,2,0,0,0,0|1,0,0]=3 6737 B12R0.206 O=C(CCCO)CCCCCCO 1458a_100011996774_100011215043 [0,2,0,0,0,0|2,0,0]=4 6738 B12R0.206 O=C(NCCO)NCCCCCO 273464a_100000210304_100000762737 [0,2,0,0,0,0|2,0,0]=4 6739 B12R0.206 O=C(NCCO)NCCCCCO 273464a_100000762737_100000210304 [0,2,0,0,0,0|2,0,0]=4 6740 B12R0.206 O=C(NCCO)NCCCCCO 512a_100000762737_100000210304 [0,2,0,0,0,0|2,0,0]=4 6741 B12R0.239 CCCCCC(=O)CC(=O)CCO 1458a_100011216618_200012276598 [0,2,0,0,0,0|1,0,1]=4 6742 B12R0.239 CCCCCC(=O)CC(=O)COC 1458a_100000210968_200012276598 [0,2,0,0,0,0|1,0,1]=4 6743 B12R0.239 CCCCCC(=O)CC(=O)NCC 1458a_100000212188_100000183381 [0,2,0,0,0,0|1,0,1]=4 6744 B12R0.239 CCCCCC(=O)CC(=O)NCO 1458a_100000212188_100000185155 [0,2,0,0,0,0|0,0,1]=3 6745 B12R0.239 CCCCCC(C)NC(=O)CCO 240690a_100000211957_100011216618 [0,2,0,0,0,0|2,0,0]=4 6746 B12R0.239 CCCCCC(C)NC(=O)CNC 2230a_106832991635_100000230335 [0,2,0,0,0,0|2,0,0]=4 6747 B12R0.239 CCCCCC(C)NC(=O)CNC 34a_100102657272_100000230335 [0,2,0,0,0,0|2,0,0]=4 6748 B12R0.239 CCCCCC(C)NC(=O)CNC 7a_106832991635_100000230335 [0,2,0,0,0,0|2,0,0]=4 6749 B12R0.239 CCCCCC(C)NC(=O)COC 11a_100000211957_100000210968 [0,2,0,0,0,0|2,0,0]=4 6750 B12R0.239 CCCCCC(C)NC(=O)COC 1626a_100000211957_100000210968 [0,2,0,0,0,0|2,0,0]=4 6751 B12R0.239 CCCCCC(C)NC(=O)COC 240690a_100000211957_100000210968 [0,2,0,0,0,0|2,0,0]=4 6752 B12R0.239 CCCCCC(C)NC(=O)COC 34a_100138415774_100000230335 [0,2,0,0,0,0|2,0,0]=4 6753 B12R0.239 CCCCCC(C)NC(=O)COC 527a_100000211957_100000210968 [0,2,0,0,0,0|2,0,0]=4 6754 B12R0.239 CCCCCC(C)NC(=O)NCC 2708a_100000211957_100015525214 [0,2,0,0,0,0|2,0,0]=4 6755 B12R0.239 CCCCCC(C)NC(=O)NCC 2708a_100015525214_100000211957 [0,2,0,0,0,0|2,0,0]=4 6756 B12R0.239 CCCCCC(C)NC(=O)NCC 273464a_100000211957_100015525214 [0,2,0,0,0,0|2,0,0]=4 6757 B12R0.239 CCCCCC(C)NC(=O)NCC 273464a_100015525214_100000211957 [0,2,0,0,0,0|2,0,0]=4 6758 B12R0.239 CCCCCC(C)NC(=O)NCC 512a_100000211957_100015525214 [0,2,0,0,0,0|2,0,0]=4 6759 B12R0.239 CCCCCC(C)NC(=O)NCC 512a_100015525214_100000211957 [0,2,0,0,0,0|2,0,0]=4 6760 B12R0.239 CCCCCC(C)NC(=O)NNC 273464a_100000211957_100016993582 [0,2,0,0,0,0|2,0,0]=4 6761 B12R0.239 CCCCCC(C)NC(=O)NNC 512a_100000211957_100016993582 [0,2,0,0,0,0|2,0,0]=4 6762 B12R0.239 CCCCCC(C)NC(=O)NNC 512a_100016993582_100000211957 [0,2,0,0,0,0|2,0,0]=4 6763 B12R0.239 CCCCCC(C)OC(=O)CNC 2230a_106832991635_200000092394 [0,2,0,0,0,0|2,0,0]=4 6764 B12R0.239 CCCCCC(C)OC(=O)CNC 34a_100102657272_200000092394 [0,2,0,0,0,0|2,0,0]=4 6765 B12R0.239 CCCCCC(C)OC(=O)CNC 7a_106832991635_200000092394 [0,2,0,0,0,0|2,0,0]=4 6766 B12R0.239 CCCCCC(C)OC(=O)COC 34a_100138415774_200000092394 [0,2,0,0,0,0|2,0,0]=4 6767 B12R0.239 CCCCCN(C)CC(=O)NCC 2230a_100000223495_100000183381 [0,2,0,0,0,0|2,0,0]=4 6768 B12R0.239 CCCCCN(C)CC(=O)NCC 2230a_100000741943_100000210326 [0,2,0,0,0,0|2,0,0]=4 6769 B12R0.239 CCCCCN(C)CC(=O)NCC 269982a_100000223495_100000183381 [0,2,0,0,0,0|2,0,0]=4 6770 B12R0.239 CCCCCN(C)CC(=O)NCC 269982a_100000741943_100000210215 [0,2,0,0,0,0|2,0,0]=4 6771 B12R0.239 CCCCCN(C)CC(=O)NCO 2230a_100000223495_100000185155 [0,2,0,0,0,0|1,0,0]=3 6772 B12R0.239 CCCCCN(C)CC(=O)NCO 269982a_100000223495_100000185155 [0,2,0,0,0,0|1,0,0]=3 6773 B12R0.239 CCCOCC(=O)CC(=O)NCO 1458a_100000745993_100000185155 [0,2,0,0,0,0|1,0,1]=4 6774 B12R0.239 CCCSCC(=O)CC(=O)NCO 1458a_100000217233_100000185155 [0,2,0,0,0,0|1,0,1]=4 6775 B12R0.239 CCOCCC(=O)CC(=O)NCO 1458a_100000749530_100000185155 [0,2,0,0,0,0|1,0,1]=4 6776 B12R0.239 CCSCCC(=O)CC(=O)NCO 1458a_100000230768_100000185155 [0,2,0,0,0,0|1,0,1]=4 6777 B12R0.239 CN(CCCCO)CC(=O)NCO 2230a_100000717598_100000185155 [0,2,0,0,0,0|2,0,0]=4 6778 B12R0.239 CN(CCCCO)CC(=O)NCO 269982a_100000717598_100000185155 [0,2,0,0,0,0|2,0,0]=4 6779 B12R0.239 COCCCC(=O)CC(=O)NCO 1458a_100000741012_100000185155 [0,2,0,0,0,0|1,0,1]=4 6780 B12R0.239 COCCCN(C)CC(=O)NCO 2230a_100000224831_100000185155 [0,2,0,0,0,0|2,0,0]=4 6781 B12R0.239 COCCCN(C)CC(=O)NCO 269982a_100000224831_100000185155 [0,2,0,0,0,0|2,0,0]=4 6782 B12R0.239 CSCCCC(=O)CC(=O)NCO 1458a_100000173376_100000185155 [0,2,0,0,0,0|1,0,1]=4 6783 B12R0.239 O=C(CCCCO)CC(=O)NCO 1458a_100000695505_100000185155 [0,2,0,0,0,0|1,0,1]=4 6784 B12R0.276 CC(CCO)OCCCC(=O)NN 34a_100000211488_100009893172 [0,2,0,0,0,0|2,0,0]=4 6785 B12R0.276 CC(CO)CCNCC(=O)NCO 2230a_106354213184_100000185155 [0,2,0,0,0,0|2,0,0]=4 6786 B12R0.276 CC(CO)CCNCC(=O)NCO 34a_106354213184_100000185155 [0,2,0,0,0,0|2,0,0]=4 6787 B12R0.276 CCC(C)CCNCC(=O)NCO 2230a_100020591266_100000185155 [0,2,0,0,0,0|1,0,0]=3 6788 B12R0.276 CCC(C)CCOCC(=O)NCO 7a_100011215188_100000185155 [0,2,0,0,0,0|1,0,0]=3 6789 B12R0.276 CCCC(=O)CCCCC(=O)OC 1458a_100000211992_100000204269 [0,2,0,0,0,0|2,0,0]=4 6790 B12R0.276 CCCC(=O)CCCCC(=O)OC 1458a_100000695723_100000210303 [0,2,0,0,0,0|2,0,0]=4 6791 B12R0.276 CCCC(=O)CNCCC(=O)NC 2230a_100000738227_100000747444 [0,2,0,0,0,0|1,0,1]=4 6792 B12R0.276 CCCC(=O)CSCCC(=O)NC 62a_100000737683_100000747444 [0,2,0,0,0,0|1,0,1]=4 6793 B12R0.276 CCCC(=O)CSCCC(=O)NC 62a_100000747444_100000737683 [0,2,0,0,0,0|1,0,1]=4 6794 B12R0.276 CCCC(=O)NCCCC(=O)NC 11a_100000740002_100000211992 [0,2,0,0,0,0|1,0,1]=4 6795 B12R0.276 CCCC(=O)NCCCC(=O)NC 240690a_100000740002_100000211992 [0,2,0,0,0,0|1,0,1]=4 6796 B12R0.276 CCCC(=O)NCCCC(=O)NC 527a_100000740002_100000211992 [0,2,0,0,0,0|1,0,1]=4 6797 B12R0.276 CCCC(C)CCOCC(=O)CC 7a_100011217855_100000747405 [0,2,0,0,0,0|2,0,0]=4 6798 B12R0.276 CCCC(C)CCOCC(=O)NC 34a_100011217855_100000183359 [0,2,0,0,0,0|1,0,0]=3 6799 B12R0.276 CCCC(C)CCOCC(=O)NC 7a_100011217855_100000183359 [0,2,0,0,0,0|1,0,0]=3 6800 B12R0.276 CCCC(C)CCOCC(=O)OC 34a_100011217855_100000747449 [0,2,0,0,0,0|2,0,0]=4 6801 B12R0.276 CCCC(C)CCOCC(=O)OC 7a_100011217855_100000747449 [0,2,0,0,0,0|2,0,0]=4 6802 B12R0.276 CCCC(C)CNCCC(=O)NC 2230a_100000738227_100011216630 [0,2,0,0,0,0|1,0,0]=3 6803 B12R0.276 CCCC(C)CNCCC(=O)NC 270004a_100000738227_100000243154 [0,2,0,0,0,0|1,0,0]=3 6804 B12R0.276 CCCC(C)CNCCC(=O)NC 34a_100000738227_100011216630 [0,2,0,0,0,0|1,0,0]=3 6805 B12R0.276 CCCC(C)COCCC(=NO)N 34a_100000749954_100011216630 [0,2,0,0,0,0|1,0,1]=4 6806 B12R0.276 CCCC(C)COCCC(=O)NC 34a_100000688023_100012179268 [0,2,0,0,0,0|1,0,0]=3 6807 B12R0.276 CCCC(C)COCCC(=O)NC 34a_100000754576_100011216630 [0,2,0,0,0,0|1,0,0]=3 6808 B12R0.276 CCCC(C)COCCC(=O)NC 7a_100000688023_100000737683 [0,2,0,0,0,0|1,0,0]=3 6809 B12R0.276 CCCC(C)COCCC(=O)OC 34a_100000688023_100000742370 [0,2,0,0,0,0|2,0,0]=4 6810 B12R0.276 CCCC(C)COCCC(=O)OC 7a_100000688023_100000204255 [0,2,0,0,0,0|2,0,0]=4 6811 B12R0.276 CCCC(C)CSCCC(=O)NC 62a_100000737683_100011216630 [0,2,0,0,0,0|1,0,0]=3 6812 B12R0.276 CCCC(C)CSCCC(=O)NC 62a_100011216630_100000737683 [0,2,0,0,0,0|1,0,0]=3 6813 B12R0.276 CCCC(C)CSCCC(=O)OC 62a_100000204255_100011216630 [0,2,0,0,0,0|2,0,0]=4 6814 B12R0.276 CCCC(C)CSCCC(=O)OC 62a_100011216630_100000204255 [0,2,0,0,0,0|2,0,0]=4 6815 B12R0.276 CCCC(C)NCCCC(=O)NC 2230a_100000740002_100000766640 [0,2,0,0,0,0|1,0,0]=3 6816 B12R0.276 CCCC(C)NCCCC(=O)NC 2230a_100000741246_100000741757 [0,2,0,0,0,0|1,0,0]=3 6817 B12R0.276 CCCC(C)NCCCC(=O)NC 270004a_100000740002_100000211909 [0,2,0,0,0,0|1,0,0]=3 6818 B12R0.276 CCCC(C)NCCCC(=O)NC 34a_100000740002_100000766640 [0,2,0,0,0,0|1,0,0]=3 6819 B12R0.276 CCCC(C)NCCCC(=O)OC 2230a_100000741246_100011218270 [0,2,0,0,0,0|2,0,0]=4 6820 B12R0.276 CCCC(C)NCCNC(=O)NC 34a_100015205895_100000766640 [0,2,0,0,0,0|2,0,0]=4 6821 B12R0.276 CCCC(C)OCCCC(=O)NC 34a_100000764384_100000741757 [0,2,0,0,0,0|1,0,0]=3 6822 B12R0.276 CCCC(C)OCCCC(=O)NC 7a_100000764384_100000741757 [0,2,0,0,0,0|1,0,0]=3 6823 B12R0.276 CCCC(C)OCCCC(=O)NN 34a_100000211488_100000766640 [0,2,0,0,0,0|1,0,0]=3 6824 B12R0.276 CCCC(C)OCCCC(=O)OC 34a_100000764384_100000742333 [0,2,0,0,0,0|2,0,0]=4 6825 B12R0.276 CCCC(C)OCCCC(=O)OC 7a_100000764384_100011218270 [0,2,0,0,0,0|2,0,0]=4 6826 B12R0.276 CCCC(C)OCCOC(=O)NC 34a_100000764384_200011997002 [0,2,0,0,0,0|2,0,0]=4 6827 B12R0.276 CCCC(C)OCCOC(=O)NC 7a_100000764384_200011997002 [0,2,0,0,0,0|2,0,0]=4 6828 B12R0.276 CCCC(C)SCCCC(=O)NC 62a_100000741757_100000766640 [0,2,0,0,0,0|1,0,0]=3 6829 B12R0.276 CCCC(C)SCCCC(=O)NC 62a_100000766640_100000741757 [0,2,0,0,0,0|1,0,0]=3 6830 B12R0.276 CCCC(C)SCCCC(=O)OC 62a_100000766640_100011218270 [0,2,0,0,0,0|2,0,0]=4 6831 B12R0.276 CCCC(C)SCCCC(=O)OC 62a_100011218270_100000766640 [0,2,0,0,0,0|2,0,0]=4 6832 B12R0.276 CCCC(C)SCCOC(=O)NC 62a_100000766640_200011997002 [0,2,0,0,0,0|2,0,0]=4 6833 B12R0.276 CCCC(C)SCCOC(=O)NC 62a_200011997002_100000766640 [0,2,0,0,0,0|2,0,0]=4 6834 B12R0.276 CCCN(C)CCCCC(=O)OC 2230a_100000747261_100000204269 [0,2,0,0,0,0|2,0,0]=4 6835 B12R0.276 CCCN(C)CCCCC(=O)OC 269982a_100000747261_100000204269 [0,2,0,0,0,0|2,0,0]=4 6836 B12R0.276 CCC[C@H](N)CCOCC(=O)NC 34a_100015193777_100000183359 [0,2,0,0,0,0|1,0,0]=3 6837 B12R0.276 CCC[C@H](N)CCOCC(=O)OC 34a_100015193777_100000747449 [0,2,0,0,0,0|2,0,0]=4 6838 B12R0.276 CCC[C@H](N)COCCC(=O)NC 34a_100000732646_100012179268 [0,2,0,0,0,0|1,0,0]=3 6839 B12R0.276 CCC[C@H](N)COCCC(=O)OC 34a_100000732646_100000742370 [0,2,0,0,0,0|2,0,0]=4 6840 B12R0.276 CCNC(=O)CCNCC(C)CC 2230a_100020588543_100000737597 [0,2,0,0,0,0|2,0,0]=4 6841 B12R0.276 CCNC(=O)CCNCC(C)CC 270004a_100025743525_100000243153 [0,2,0,0,0,0|2,0,0]=4 6842 B12R0.276 CCNC(=O)CCNCC(C)CC 34a_100025743525_100000748023 [0,2,0,0,0,0|2,0,0]=4 6843 B12R0.276 CCNC(=O)CCNCC(O)CC 2230a_100011218483_100000737597 [0,2,0,0,0,0|2,0,0]=4 6844 B12R0.276 CCNC(=O)CCNCC(O)CC 34a_100025743525_100011218378 [0,2,0,0,0,0|2,0,0]=4 6845 B12R0.276 CCNC(=O)CCNC[C@@H](C)CC 34a_100025743525_100009816398 [0,2,0,0,0,0|2,0,0]=4 6846 B12R0.276 CCNC(=O)CCOC[C@@H](C)CC 7a_100009816381_100000737597 [0,2,0,0,0,0|2,0,0]=4 6847 B12R0.276 CCNC(=O)CCSCC(C)CC 62a_100000737597_100000748023 [0,2,0,0,0,0|2,0,0]=4 6848 B12R0.276 CCNC(=O)CCSCC(C)CC 62a_100000748023_100000737597 [0,2,0,0,0,0|2,0,0]=4 6849 B12R0.276 CCNC(=O)CCSCC(O)CC 62a_100000737597_100011218378 [0,2,0,0,0,0|2,0,0]=4 6850 B12R0.276 CCNC(=O)CCSCC(O)CC 62a_100011218378_100000737597 [0,2,0,0,0,0|2,0,0]=4 6851 B12R0.276 CCNC(=O)CCSC[C@@H](C)CC 62a_100000737597_100009816398 [0,2,0,0,0,0|2,0,0]=4 6852 B12R0.276 CCNC(=O)CCSC[C@@H](C)CC 62a_100009816398_100000737597 [0,2,0,0,0,0|2,0,0]=4 6853 B12R0.276 CCNC(=O)CNCCC(C)CC 2230a_100020591266_100000183381 [0,2,0,0,0,0|2,0,0]=4 6854 B12R0.276 CCNC(=O)COCCC(C)CC 7a_100011215188_100000183381 [0,2,0,0,0,0|2,0,0]=4 6855 B12R0.276 CCOC(=O)CCCCC(=O)CO 1458a_100000210174_100000750268 [0,2,0,0,0,0|1,0,1]=4 6856 B12R0.276 CCOC(=O)CCCCC(=O)NC 11a_106832991635_100011217402 [0,2,0,0,0,0|1,0,1]=4 6857 B12R0.276 CCOC(=O)CCCCC(=O)NC 1626a_100102657272_100011217402 [0,2,0,0,0,0|1,0,1]=4 6858 B12R0.276 CCOC(=O)CCCCC(=O)NC 240690a_100102657272_100011217402 [0,2,0,0,0,0|1,0,1]=4 6859 B12R0.276 CCOC(=O)CCCCC(=O)NC 527a_100102657272_100011217402 [0,2,0,0,0,0|1,0,1]=4 6860 B12R0.276 CNC(=O)CCCNC(C)CCO 2230a_100000740002_100009893172 [0,2,0,0,0,0|2,0,0]=4 6861 B12R0.276 CNC(=O)CCCNC(C)CCO 34a_100000740002_100009893172 [0,2,0,0,0,0|2,0,0]=4 6862 B12R0.276 CNC(=O)CCCNC(C)COC 2230a_100000740002_100000765312 [0,2,0,0,0,0|2,0,0]=4 6863 B12R0.276 CNC(=O)CCCNC(C)COC 270004a_100000740002_100000749346 [0,2,0,0,0,0|2,0,0]=4 6864 B12R0.276 CNC(=O)CCCNC(C)COC 34a_100000740002_100000765312 [0,2,0,0,0,0|2,0,0]=4 6865 B12R0.276 CNC(=O)CCCNC(C)CSC 270004a_100000740002_100011216314 [0,2,0,0,0,0|2,0,0]=4 6866 B12R0.276 CNC(=O)CCCN[C@H](C)CCO 2230a_100000706166_100000741757 [0,2,0,0,0,0|2,0,0]=4 6867 B12R0.276 CNC(=O)CCCN[C@H](C)CCO 34a_100000706166_100000741757 [0,2,0,0,0,0|2,0,0]=4 6868 B12R0.276 CNC(=O)CCCN[C@H](C)COC 2230a_100000764878_100000741757 [0,2,0,0,0,0|2,0,0]=4 6869 B12R0.276 CNC(=O)CCCOC(C)CCBr 34a_100012276601_100000741757 [0,2,0,0,0,0|2,0,0]=4 6870 B12R0.276 CNC(=O)CCCO[C@H](C)COC 34a_100011934205_100000741757 [0,2,0,0,0,0|2,0,0]=4 6871 B12R0.276 CNC(=O)CCCSC(C)CCO 62a_100000741757_100009893172 [0,2,0,0,0,0|2,0,0]=4 6872 B12R0.276 CNC(=O)CCCSC(C)CCO 62a_100009893172_100000741757 [0,2,0,0,0,0|2,0,0]=4 6873 B12R0.276 CNC(=O)CCCSC(C)COC 62a_100000741757_100000765312 [0,2,0,0,0,0|2,0,0]=4 6874 B12R0.276 CNC(=O)CCCSC(C)COC 62a_100000765312_100000741757 [0,2,0,0,0,0|2,0,0]=4 6875 B12R0.276 CNC(=O)CCNCC(O)COC 2230a_100000756049_100000737683 [0,2,0,0,0,0|2,0,0]=4 6876 B12R0.276 CNC(=O)CCNCC(O)COC 34a_100000738227_100011215053 [0,2,0,0,0,0|2,0,0]=4 6877 B12R0.276 CNC(=O)CCNCC(O)COC 34a_100000756049_100012179268 [0,2,0,0,0,0|2,0,0]=4 6878 B12R0.276 CNC(=O)CCOCC(C)CCN 34a_106354213184_100012179268 [0,2,0,0,0,0|2,0,0]=4 6879 B12R0.276 CNC(=O)CCOCC(N)COC 34a_100000724102_100012179268 [0,2,0,0,0,0|2,0,0]=4 6880 B12R0.276 CNC(=O)CCOCC(O)COC 34a_100000754576_100011215053 [0,2,0,0,0,0|2,0,0]=4 6881 B12R0.276 CNC(=O)CCSCC(O)COC 62a_100000737683_100011215053 [0,2,0,0,0,0|2,0,0]=4 6882 B12R0.276 CNC(=O)CCSCC(O)COC 62a_100011215053_100000737683 [0,2,0,0,0,0|2,0,0]=4 6883 B12R0.276 COC(C)CCOCC(=O)NCO 7a_100000764861_100000185155 [0,2,0,0,0,0|2,0,0]=4 6884 B12R0.276 COCC(C)OCCCC(=O)NN 34a_100000211488_100000765312 [0,2,0,0,0,0|2,0,0]=4 6885 B12R0.277 C#CCC(=O)CCCCCC(C)C 1458a_100000766313_100000184674 [0,2,0,0,0,0|2,0,0]=4 6886 B12R0.277 C#CCC(=O)CCCCCC(C)C 1458a_100011220946_100000210682 [0,2,0,0,0,0|2,0,0]=4 6887 B12R0.277 C=CCC(=O)CCCCCC(C)C 1458a_100000210193_100000210682 [0,2,0,0,0,0|2,0,0]=4 6888 B12R0.277 C=CCC(=O)CCCCCC(C)C 1458a_100000766313_100000210623 [0,2,0,0,0,0|2,0,0]=4 6889 B12R0.277 CC#CC(=O)CCCCCC(C)C 1458a_100000763181_100000210682 [0,2,0,0,0,0|2,0,0]=4 6890 B12R0.277 CC(=O)CCCOCC(=O)NCO 34a_100000759063_100000185155 [0,2,0,0,0,0|1,0,1]=4 6891 B12R0.277 CC(=O)CCCOCC(=O)NCO 7a_100000759063_100000185155 [0,2,0,0,0,0|1,0,1]=4 6892 B12R0.277 CC(=O)CCCSCC(=O)NCO 62a_100000185155_100011215641 [0,2,0,0,0,0|1,0,1]=4 6893 B12R0.277 CC(=O)CCCSCC(=O)NCO 62a_100011215641_100000185155 [0,2,0,0,0,0|1,0,1]=4 6894 B12R0.277 CC(C)CCCCCC(=O)C=CBr 1458a_100016273825_100000210682 [0,2,0,0,0,0|2,0,0]=4 6895 B12R0.277 CC(C)CCCCCC(=O)C=CCl 1458a_200016279998_100000210682 [0,2,0,0,0,0|2,0,0]=4 6896 B12R0.277 CC(C)CCCCCC(=O)C=CI 1458a_100016256311_100000210682 [0,2,0,0,0,0|2,0,0]=4 6897 B12R0.277 CC(C)CCCCCC(=O)CC#N 1458a_100000766313_100011214920 [0,2,0,0,0,0|2,0,0]=4 6898 B12R0.277 CC(C)CCCCCC(=O)CC#N 1458a_100051588842_100000210682 [0,2,0,0,0,0|2,0,0]=4 6899 B12R0.277 CC(C)CCCCCC(=O)CCF 1458a_100000766313_100011217306 [0,2,0,0,0,0|2,0,0]=4 6900 B12R0.277 CC(C)CCCCCC(=O)CCO 1458a_100000766313_100000211926 [0,2,0,0,0,0|1,0,0]=3 6901 B12R0.277 CC(C)CCCCCC(=O)CCO 1458a_100011216618_100000210682 [0,2,0,0,0,0|1,0,0]=3 6902 B12R0.277 CC(C)CCCNCC(=O)NCO 2230a_200000737386_100000185155 [0,2,0,0,0,0|1,0,0]=3 6903 B12R0.277 CC(C)CCCNCC(=O)NCO 34a_200000737386_100000185155 [0,2,0,0,0,0|1,0,0]=3 6904 B12R0.277 CC(C)CCCOCC(=O)NCO 34a_100000210774_100000185155 [0,2,0,0,0,0|1,0,0]=3 6905 B12R0.277 CC(C)CCCOCC(=O)NCO 7a_100000210774_100000185155 [0,2,0,0,0,0|1,0,0]=3 6906 B12R0.277 CC(C)CCCSCC(=O)NCO 62a_100000185155_100011214892 [0,2,0,0,0,0|1,0,0]=3 6907 B12R0.277 CC(C)CCCSCC(=O)NCO 62a_100011214892_100000185155 [0,2,0,0,0,0|1,0,0]=3 6908 B12R0.277 CC(C)NCCOCC(=O)NCO 34a_100000224655_100000185155 [0,2,0,0,0,0|2,0,0]=4 6909 B12R0.277 CC(C)OCCNCC(=O)NCO 2230a_100000701111_100000185155 [0,2,0,0,0,0|2,0,0]=4 6910 B12R0.277 CC(C)OCCNCC(=O)NCO 34a_100000701111_100000185155 [0,2,0,0,0,0|2,0,0]=4 6911 B12R0.277 CC(C)OCCOCC(=O)NCO 34a_100000211219_100000185155 [0,2,0,0,0,0|2,0,0]=4 6912 B12R0.277 CC(C)OCCOCC(=O)NCO 7a_100000211219_100000185155 [0,2,0,0,0,0|2,0,0]=4 6913 B12R0.277 CC(C)OCCSCC(=O)NCO 62a_100000185155_100000211751 [0,2,0,0,0,0|2,0,0]=4 6914 B12R0.277 CC(C)OCCSCC(=O)NCO 62a_100000211751_100000185155 [0,2,0,0,0,0|2,0,0]=4 6915 B12R0.277 CC(C)SCCNCC(=O)NCO 2230a_100000731138_100000185155 [0,2,0,0,0,0|2,0,0]=4 6916 B12R0.277 CC(C)SCCNCC(=O)NCO 34a_100000731138_100000185155 [0,2,0,0,0,0|2,0,0]=4 6917 B12R0.277 CC(C)SCCOCC(=O)NCO 34a_200011212901_100000185155 [0,2,0,0,0,0|2,0,0]=4 6918 B12R0.277 CC(C)SCCOCC(=O)NCO 7a_200011212901_100000185155 [0,2,0,0,0,0|2,0,0]=4 6919 B12R0.277 CC(C)SCCSCC(=O)NCO 62a_100000185155_100000730970 [0,2,0,0,0,0|2,0,0]=4 6920 B12R0.277 CC(C)SCCSCC(=O)NCO 62a_100000730970_100000185155 [0,2,0,0,0,0|2,0,0]=4 6921 B12R0.277 CC(O)CCCSCC(=O)NCO 62a_100000185155_200000718107 [0,2,0,0,0,0|1,0,0]=3 6922 B12R0.277 CC(O)CCCSCC(=O)NCO 62a_200000718107_100000185155 [0,2,0,0,0,0|1,0,0]=3 6923 B12R0.277 CC=CC(=O)CCCCCC(C)C 1458a_100000210699_100000210682 [0,2,0,0,0,0|2,0,0]=4 6924 B12R0.277 CCCC(=O)CCCCCC(C)C 1458a_100000211992_100000210682 [0,2,0,0,0,0|2,0,0]=4 6925 B12R0.277 CCCC(=O)CCCCCC(C)C 1458a_100000766313_100000210303 [0,2,0,0,0,0|2,0,0]=4 6926 B12R0.277 CCNC(=O)CCCCCC(C)C 11a_100015525214_100000766313 [0,2,0,0,0,0|1,0,0]=3 6927 B12R0.277 CCNC(=O)CCCCCC(C)C 240690a_100015525214_100000766313 [0,2,0,0,0,0|1,0,0]=3 6928 B12R0.277 CCNC(=O)CCCCCC(C)C 527a_100015525214_100000766313 [0,2,0,0,0,0|1,0,0]=3 6929 B12R0.277 CCNC(=O)CCNCCC(C)C 269862a_100025743525_100000185833 [0,2,0,0,0,0|2,0,0]=4 6930 B12R0.277 CCNC(=O)CCNCCC(C)C 34a_100025743525_100000210312 [0,2,0,0,0,0|2,0,0]=4 6931 B12R0.277 CCNC(=O)CCNCCC(C)O 2230a_200000755665_100000737597 [0,2,0,0,0,0|2,0,0]=4 6932 B12R0.277 CCNC(=O)CCNCCC(C)O 34a_100025743525_100012276601 [0,2,0,0,0,0|2,0,0]=4 6933 B12R0.277 CCNC(=O)CCOCCC(C)C 7a_100000210254_100000737597 [0,2,0,0,0,0|2,0,0]=4 6934 B12R0.277 CCNC(=O)CCSCCC(C)C 62a_100000210312_100000737597 [0,2,0,0,0,0|2,0,0]=4 6935 B12R0.277 CCNC(=O)CCSCCC(C)C 62a_100000737597_100000210312 [0,2,0,0,0,0|2,0,0]=4 6936 B12R0.277 CCNC(=O)CCSCCC(C)O 62a_100000737597_100012276601 [0,2,0,0,0,0|2,0,0]=4 6937 B12R0.277 CCNC(=O)CCSCCC(C)O 62a_100012276601_100000737597 [0,2,0,0,0,0|2,0,0]=4 6938 B12R0.277 CCNC(=O)CNCCCC(C)C 2230a_100016988866_100011214892 [0,2,0,0,0,0|2,0,0]=4 6939 B12R0.277 CCNC(=O)CNCCCC(C)C 2230a_200000737386_100000183381 [0,2,0,0,0,0|2,0,0]=4 6940 B12R0.277 CCNC(=O)CNCCCC(C)C 34a_200000737386_100000183381 [0,2,0,0,0,0|2,0,0]=4 6941 B12R0.277 CCNC(=O)CNCCCC(C)O 2230a_100016988866_200000718107 [0,2,0,0,0,0|2,0,0]=4 6942 B12R0.277 CCNC(=O)COCCCC(C)C 34a_100000210774_100000183381 [0,2,0,0,0,0|2,0,0]=4 6943 B12R0.277 CCNC(=O)COCCCC(C)C 7a_100000210774_100000183381 [0,2,0,0,0,0|2,0,0]=4 6944 B12R0.277 CCNC(=O)CSCCCC(C)C 62a_100000183381_100011214892 [0,2,0,0,0,0|2,0,0]=4 6945 B12R0.277 CCNC(=O)CSCCCC(C)C 62a_100011214892_100000183381 [0,2,0,0,0,0|2,0,0]=4 6946 B12R0.277 CCNC(=O)CSCCCC(C)O 62a_100000183381_200000718107 [0,2,0,0,0,0|2,0,0]=4 6947 B12R0.277 CCNC(=O)CSCCCC(C)O 62a_200000718107_100000183381 [0,2,0,0,0,0|2,0,0]=4 6948 B12R0.277 CN(C)CCCSCC(=O)NCO 62a_100000185155_100000757444 [0,2,0,0,0,0|2,0,0]=4 6949 B12R0.277 CNNC(=O)CCCCCC(C)C 22a_100016993582_100000766313 [0,2,0,0,0,0|1,0,0]=3 6950 B12R0.277 COCC(=O)CCCCCC(C)C 1458a_100000210968_100000210682 [0,2,0,0,0,0|1,0,0]=3 6951 B12R0.277 CS(=O)CCCNCC(=O)NCO 2230a_200000753449_100000185155 [0,2,0,0,0,0|2,0,0]=4 6952 B12R0.277 CSCC(=O)CCCCCC(C)C 1458a_100000184570_100000210682 [0,2,0,0,0,0|1,1,0]=4 6953 B12R0.285 CC(CCN)COCC(=O)NCO 34a_106354213184_100000185155 [0,2,0,0,0,0|2,0,0]=4 6954 B12R0.285 CCCC(=O)CCCC(=O)NCC 1458a_100000199580_100000210303 [0,2,0,0,0,0|1,0,1]=4 6955 B12R0.285 CCCC(=O)CSCC(=O)NCO 62a_100000185155_100000747444 [0,2,0,0,0,0|1,0,1]=4 6956 B12R0.285 CCCC(=O)CSCC(=O)NCO 62a_100000747444_100000185155 [0,2,0,0,0,0|1,0,1]=4 6957 B12R0.285 CCCC(C)CNCC(=O)NCC 2230a_100016988866_100011216630 [0,2,0,0,0,0|2,0,0]=4 6958 B12R0.285 CCCC(C)CNCC(=O)NCC 270004a_100016988866_100000243154 [0,2,0,0,0,0|2,0,0]=4 6959 B12R0.285 CCCC(C)COCC(=O)NCC 34a_100000688023_100000183381 [0,2,0,0,0,0|2,0,0]=4 6960 B12R0.285 CCCC(C)COCC(=O)NCC 7a_100000688023_100000183381 [0,2,0,0,0,0|2,0,0]=4 6961 B12R0.285 CCCC(C)COCC(=O)NCO 34a_100000688023_100000185155 [0,2,0,0,0,0|1,0,0]=3 6962 B12R0.285 CCCC(C)COCC(=O)NCO 7a_100000688023_100000185155 [0,2,0,0,0,0|1,0,0]=3 6963 B12R0.285 CCCC(C)CSCC(=O)NCC 62a_100000183381_100011216630 [0,2,0,0,0,0|2,0,0]=4 6964 B12R0.285 CCCC(C)CSCC(=O)NCC 62a_100011216630_100000183381 [0,2,0,0,0,0|2,0,0]=4 6965 B12R0.285 CCCC(C)CSCC(=O)NCO 62a_100000185155_100011216630 [0,2,0,0,0,0|1,0,0]=3 6966 B12R0.285 CCCC(C)CSCC(=O)NCO 62a_100011216630_100000185155 [0,2,0,0,0,0|1,0,0]=3 6967 B12R0.285 CCCC(C)NCCC(=O)NCC 2230a_100000741246_100000737597 [0,2,0,0,0,0|2,0,0]=4 6968 B12R0.285 CCCC(C)NCCC(=O)NCC 270004a_100025743525_100000211909 [0,2,0,0,0,0|2,0,0]=4 6969 B12R0.285 CCCC(C)NCCC(=O)NCC 34a_100025743525_100000766640 [0,2,0,0,0,0|2,0,0]=4 6970 B12R0.285 CCCC(C)OCCC(=O)NCC 7a_100000764384_100000737597 [0,2,0,0,0,0|2,0,0]=4 6971 B12R0.285 CCCC(C)SCCC(=O)NCC 62a_100000737597_100000766640 [0,2,0,0,0,0|2,0,0]=4 6972 B12R0.285 CCCC(C)SCCC(=O)NCC 62a_100000766640_100000737597 [0,2,0,0,0,0|2,0,0]=4 6973 B12R0.285 CCC[C@H](N)COCC(=O)NCC 34a_100000732646_100000183381 [0,2,0,0,0,0|2,0,0]=4 6974 B12R0.285 CCC[C@H](N)COCC(=O)NCO 34a_100000732646_100000185155 [0,2,0,0,0,0|1,0,0]=3 6975 B12R0.285 COCC(N)COCC(=O)NCO 34a_100000724102_100000185155 [0,2,0,0,0,0|2,0,0]=4 6976 B12R0.285 COCC(O)CNCC(=O)NCO 2230a_100000756049_100000185155 [0,2,0,0,0,0|2,0,0]=4 6977 B12R0.285 COCC(O)CNCC(=O)NCO 34a_100000756049_100000185155 [0,2,0,0,0,0|2,0,0]=4 6978 B12R0.285 COCC(O)CSCC(=O)NCO 62a_100000185155_100011215053 [0,2,0,0,0,0|2,0,0]=4 6979 B12R0.285 COCC(O)CSCC(=O)NCO 62a_100011215053_100000185155 [0,2,0,0,0,0|2,0,0]=4 6980 B12R0.102 CCCCC(=O)CCCC(=O)NC 1458a_100000210183_100000741757 [0,2,0,0,0,0|1,0,0]=3 6981 B12R0.102 CCCCC(=O)CCCC(=O)OC 1458a_100000210183_100011218270 [0,2,0,0,0,0|2,0,0]=4 6982 B12R0.102 CCCCC(=O)CCCC(=O)OC 1458a_100000239890_100000210211 [0,2,0,0,0,0|2,0,0]=4 6983 B12R0.102 CCCCC(=O)CCOC(=O)NC 1458a_100000210183_200011997002 [0,2,0,0,0,0|1,0,1]=4 6984 B12R0.102 CCCCC(=O)NCCC(=O)NC 11a_100000738227_100000210183 [0,2,0,0,0,0|1,0,1]=4 6985 B12R0.102 CCCCC(=O)NCCC(=O)NC 240690a_100000738227_100000210183 [0,2,0,0,0,0|1,0,1]=4 6986 B12R0.102 CCCCC(=O)NCCC(=O)NC 527a_100000738227_100000210183 [0,2,0,0,0,0|1,0,1]=4 6987 B12R0.102 CCCCC(C)COCC(=O)CC 7a_100011995851_100000747405 [0,2,0,0,0,0|2,0,0]=4 6988 B12R0.102 CCCCC(C)COCC(=O)NC 34a_100011995851_100000183359 [0,2,0,0,0,0|1,0,0]=3 6989 B12R0.102 CCCCC(C)COCC(=O)NC 7a_100011995851_100000183359 [0,2,0,0,0,0|1,0,0]=3 6990 B12R0.102 CCCCC(C)COCC(=O)OC 34a_100011995851_100000747449 [0,2,0,0,0,0|2,0,0]=4 6991 B12R0.102 CCCCC(C)COCC(=O)OC 7a_100011995851_100000747449 [0,2,0,0,0,0|2,0,0]=4 6992 B12R0.102 CCCCC(C)NCCC(=O)NC 2230a_100000126638_100000737683 [0,2,0,0,0,0|1,0,0]=3 6993 B12R0.102 CCCCC(C)NCCC(=O)NC 2230a_100000738227_200011215066 [0,2,0,0,0,0|1,0,0]=3 6994 B12R0.102 CCCCC(C)NCCC(=O)NC 270004a_100000738227_100000210087 [0,2,0,0,0,0|1,0,0]=3 6995 B12R0.102 CCCCC(C)NCCC(=O)NC 34a_100000738227_200011215066 [0,2,0,0,0,0|1,0,0]=3 6996 B12R0.102 CCCCC(C)NCCC(=O)OC 2230a_100000126638_100000204255 [0,2,0,0,0,0|2,0,0]=4 6997 B12R0.102 CCCCC(C)OCCC(=NO)N 34a_100000749954_200011215066 [0,2,0,0,0,0|1,0,1]=4 6998 B12R0.102 CCCCC(C)OCCC(=O)NC 34a_100000687866_100012179268 [0,2,0,0,0,0|1,0,0]=3 6999 B12R0.102 CCCCC(C)OCCC(=O)NC 34a_100000754576_200011215066 [0,2,0,0,0,0|1,0,0]=3 7000 B12R0.102 CCCCC(C)OCCC(=O)NC 7a_100000687866_100000737683 [0,2,0,0,0,0|1,0,0]=3 7001 B12R0.102 CCCCC(C)OCCC(=O)OC 34a_100000687866_100000742370 [0,2,0,0,0,0|2,0,0]=4 7002 B12R0.102 CCCCC(C)OCCC(=O)OC 7a_100000687866_100000204255 [0,2,0,0,0,0|2,0,0]=4 7003 B12R0.102 CCCCC(C)SCCC(=O)NC 62a_100000737683_200011215066 [0,2,0,0,0,0|1,0,0]=3 7004 B12R0.102 CCCCC(C)SCCC(=O)NC 62a_200011215066_100000737683 [0,2,0,0,0,0|1,0,0]=3 7005 B12R0.102 CCCCC(C)SCCC(=O)OC 62a_100000204255_200011215066 [0,2,0,0,0,0|2,0,0]=4 7006 B12R0.102 CCCCC(C)SCCC(=O)OC 62a_200011215066_100000204255 [0,2,0,0,0,0|2,0,0]=4 7007 B12R0.102 CCCCN(C)CCCC(=O)NC 2230a_100000207549_100000741757 [0,2,0,0,0,0|1,0,0]=3 7008 B12R0.102 CCCCN(C)CCCC(=O)NC 269982a_100000207549_100000741757 [0,2,0,0,0,0|1,0,0]=3 7009 B12R0.102 CCCCN(C)CCCC(=O)OC 2230a_100000207549_100011218270 [0,2,0,0,0,0|2,0,0]=4 7010 B12R0.102 CCCCN(C)CCCC(=O)OC 269982a_100000207549_100011218270 [0,2,0,0,0,0|2,0,0]=4 7011 B12R0.102 CCCCN(C)CCCC(=O)OC 269982a_100000739225_100000210211 [0,2,0,0,0,0|2,0,0]=4 7012 B12R0.102 CCCCN(C)CCNC(=O)CO 240690a_200000754967_100000210174 [0,2,0,0,0,0|2,0,0]=4 7013 B12R0.102 CCCCN(C)CCNC(=O)CO 527a_200000754967_100000210174 [0,2,0,0,0,0|2,0,0]=4 7014 B12R0.102 CCCCN(C)CCNC(=O)NC 2708a_100102657272_200000754967 [0,2,0,0,0,0|2,0,0]=4 7015 B12R0.102 CCCCN(C)CCNC(=O)NC 2708a_200000754967_106832991635 [0,2,0,0,0,0|2,0,0]=4 7016 B12R0.102 CCCCN(C)CCNC(=O)NC 273464a_100102657272_200000754967 [0,2,0,0,0,0|2,0,0]=4 7017 B12R0.102 CCCCN(C)CCNC(=O)NC 273464a_200000754967_100102657272 [0,2,0,0,0,0|2,0,0]=4 7018 B12R0.102 CCCCN(C)CCNC(=O)NC 512a_106832991638_200000754967 [0,2,0,0,0,0|2,0,0]=4 7019 B12R0.102 CCCCN(C)CCNC(=O)NC 512a_200000754967_100102657272 [0,2,0,0,0,0|2,0,0]=4 7020 B12R0.102 CCCCN(C)CCOC(=O)NC 269982a_100000207549_200011997002 [0,2,0,0,0,0|2,0,0]=4 7021 B12R0.102 CCCC[C@H](N)COCC(=O)NC 34a_100011934283_100000183359 [0,2,0,0,0,0|1,0,0]=3 7022 B12R0.102 CCCC[C@H](N)COCC(=O)OC 34a_100011934283_100000747449 [0,2,0,0,0,0|2,0,0]=4 7023 B12R0.102 CCCNC(=O)CCCC(=O)CO 1458a_100000210174_100011194427 [0,2,0,0,0,0|1,0,1]=4 7024 B12R0.102 CCCNC(=O)CCCC(=O)NC 11a_106832991635_100000199544 [0,2,0,0,0,0|1,0,1]=4 7025 B12R0.102 CCCNC(=O)CCCC(=O)NC 1626a_100102657272_100000199544 [0,2,0,0,0,0|1,0,1]=4 7026 B12R0.102 CCCNC(=O)CCCC(=O)NC 240690a_100102657272_100000199544 [0,2,0,0,0,0|1,0,1]=4 7027 B12R0.102 CCCNC(=O)CCCC(=O)NC 527a_100102657272_100000199544 [0,2,0,0,0,0|1,0,1]=4 7028 B12R0.102 CCCOC(C)CNCC(=O)NC 2230a_100015185124_100000183359 [0,2,0,0,0,0|2,0,0]=4 7029 B12R0.102 CCCOC(C)CNCC(=O)NC 34a_100015185124_100000183359 [0,2,0,0,0,0|2,0,0]=4 7030 B12R0.102 CCOCC(=O)CCCC(=O)NC 1458a_100000211967_100000741757 [0,2,0,0,0,0|1,0,1]=4 7031 B12R0.102 CCOCC(C)OCCC(=O)NC 34a_100000718985_100012179268 [0,2,0,0,0,0|2,0,0]=4 7032 B12R0.102 CCOCC(C)OCCC(=O)NC 7a_100000718985_100000737683 [0,2,0,0,0,0|2,0,0]=4 7033 B12R0.102 CCOCC(O)CNCC(=O)NC 2230a_102515437182_100000183359 [0,2,0,0,0,0|2,0,0]=4 7034 B12R0.102 CCOCC(O)CNCC(=O)NC 34a_102515437182_100000183359 [0,2,0,0,0,0|2,0,0]=4 7035 B12R0.102 CCSCC(=O)CCCC(=O)NC 1458a_100000230394_100000741757 [0,2,0,0,0,0|1,0,1]=4 7036 B12R0.102 CCSCC(C)NCCC(=O)NC 270004a_100000738227_200011216171 [0,2,0,0,0,0|2,0,0]=4 7037 B12R0.102 CNC(=O)CCCC(=O)CCOC 1458a_100000749529_100000741757 [0,2,0,0,0,0|1,0,1]=4 7038 B12R0.102 CNC(=O)CCCC(=O)CCSC 1458a_100000174002_100000741757 [0,2,0,0,0,0|1,0,1]=4 7039 B12R0.102 CNC(=O)CCCN(C)CCCO 2230a_100000213112_100000741757 [0,2,0,0,0,0|2,0,0]=4 7040 B12R0.102 CNC(=O)CCCN(C)CCCO 269982a_100000213112_100000741757 [0,2,0,0,0,0|2,0,0]=4 7041 B12R0.102 CNC(=O)CCCN(C)CCOC 2230a_100000743101_100000741757 [0,2,0,0,0,0|2,0,0]=4 7042 B12R0.102 CNC(=O)CCCN(C)CCOC 269982a_100000743101_100000741757 [0,2,0,0,0,0|2,0,0]=4 7043 B12R0.102 CNC(=O)CCCN(C)CCSC 2230a_100000686725_100000741757 [0,2,0,0,0,0|2,0,0]=4 7044 B12R0.102 CNC(=O)CCCN(C)CCSC 269982a_100000686725_100000741757 [0,2,0,0,0,0|2,0,0]=4 7045 B12R0.102 CNC(=O)CCNC(C)CCOC 270004a_100000738227_100000742357 [0,2,0,0,0,0|2,0,0]=4 7046 B12R0.102 CNC(=O)CCNC(C)CCSC 270004a_100000738227_100011217047 [0,2,0,0,0,0|2,0,0]=4 7047 B12R0.102 CNC(=O)CCOC(C)CCCCl 34a_200000718107_100012179268 [0,2,0,0,0,0|2,0,0]=4 7048 B12R0.102 CNC(=O)CCOC(C)CCCCl 7a_200000718107_100000737683 [0,2,0,0,0,0|2,0,0]=4 7049 B12R0.102 CNC(=O)CNC[C@H](C)CCCO 2230a_100160569302_100000183359 [0,2,0,0,0,0|2,0,0]=4 7050 B12R0.102 CNC(=O)CNC[C@H](C)CCCO 34a_100160569302_100000183359 [0,2,0,0,0,0|2,0,0]=4 7051 B12R0.102 CNC(=O)COC[C@@H](N)CCSC 34a_100011827619_100000183359 [0,2,0,0,0,0|2,0,0]=4 7052 B12R0.113 C=CC(=O)NC(C)CCCCCC 1626a_100000210919_100000185746 [0,2,0,0,0,0|2,0,0]=4 7053 B12R0.113 C=CC(=O)NC(C)CCCCCC 240690a_100000210919_200121576911 [0,2,0,0,0,0|2,0,0]=4 7054 B12R0.113 CCCCCCC(=O)CC(=O)CC 1458a_100102632555_100000747405 [0,2,0,0,0,0|2,0,0]=4 7055 B12R0.113 CCCCCCC(=O)CC(=O)NC 1458a_100102632555_100000183359 [0,2,0,0,0,0|1,0,0]=3 7056 B12R0.113 CCCCCCC(=O)CC(=O)OC 1458a_100000211351_100000210757 [0,2,0,0,0,0|2,0,0]=4 7057 B12R0.113 CCCCCCC(=O)CC(=O)OC 1458a_100102632555_100000747449 [0,2,0,0,0,0|2,0,0]=4 7058 B12R0.113 CCCCCCC(C)NC(=O)CC 11a_100000210919_100000210414 [0,2,0,0,0,0|2,0,0]=4 7059 B12R0.113 CCCCCCC(C)NC(=O)CC 1626a_100000210919_100000210414 [0,2,0,0,0,0|2,0,0]=4 7060 B12R0.113 CCCCCCC(C)NC(=O)CC 240690a_100000210919_100000210414 [0,2,0,0,0,0|2,0,0]=4 7061 B12R0.113 CCCCCCC(C)NC(=O)CC 527a_100000210919_100000210414 [0,2,0,0,0,0|2,0,0]=4 7062 B12R0.113 CCCCCCC(C)NC(=O)CO 240690a_100000210919_100000210174 [0,2,0,0,0,0|1,0,0]=3 7063 B12R0.113 CCCCCCC(C)NC(=O)CO 527a_100000210919_100000210174 [0,2,0,0,0,0|1,0,0]=3 7064 B12R0.113 CCCCCCC(C)NC(=O)NC 2708a_100000210919_106832991635 [0,2,0,0,0,0|1,0,0]=3 7065 B12R0.113 CCCCCCC(C)NC(=O)NC 2708a_100102657272_100000210919 [0,2,0,0,0,0|1,0,0]=3 7066 B12R0.113 CCCCCCC(C)NC(=O)NC 273464a_100000210919_100102657272 [0,2,0,0,0,0|1,0,0]=3 7067 B12R0.113 CCCCCCC(C)NC(=O)NC 273464a_100102657272_100000210919 [0,2,0,0,0,0|1,0,0]=3 7068 B12R0.113 CCCCCCC(C)NC(=O)NC 512a_100000210919_100102657272 [0,2,0,0,0,0|1,0,0]=3 7069 B12R0.113 CCCCCCC(C)NC(=O)NC 512a_106832991638_100000210919 [0,2,0,0,0,0|1,0,0]=3 7070 B12R0.113 CCCCCCN(C)CC(=O)CC 269982a_106256046315_100000747405 [0,2,0,0,0,0|2,0,0]=4 7071 B12R0.113 CCCCCCN(C)CC(=O)NC 2230a_100000189611_100000210314 [0,2,0,0,0,0|1,0,0]=3 7072 B12R0.113 CCCCCCN(C)CC(=O)NC 2230a_106256046315_100000183359 [0,2,0,0,0,0|1,0,0]=3 7073 B12R0.113 CCCCCCN(C)CC(=O)NC 269982a_106256046315_100000183359 [0,2,0,0,0,0|1,0,0]=3 7074 B12R0.113 CCCCCCN(C)CC(=O)OC 2230a_100000198492_100000210314 [0,2,0,0,0,0|2,0,0]=4 7075 B12R0.113 CCCCCCN(C)CC(=O)OC 2230a_106256046315_100000747449 [0,2,0,0,0,0|2,0,0]=4 7076 B12R0.113 CCCCCCN(C)CC(=O)OC 269982a_106256046315_100000747449 [0,2,0,0,0,0|2,0,0]=4 7077 B12R0.113 CCCCCNC(=O)CC(=O)CO 1458a_100000210174_100000230301 [0,2,0,0,0,0|1,0,1]=4 7078 B12R0.113 CCCCCNC(C)CC(=O)OC 2230a_100000209983_100009817358 [0,2,0,0,0,0|2,0,0]=4 7079 B12R0.113 CCCCCOC(C)CC(=O)OC 34a_100000210253_100009817358 [0,2,0,0,0,0|2,0,0]=4 7080 B12R0.113 CCCCCOC(C)CC(=O)OC 7a_100000210253_100009817358 [0,2,0,0,0,0|2,0,0]=4 7081 B12R0.113 CCCCCSC(C)CC(=O)OC 62a_100000210326_100009817358 [0,2,0,0,0,0|2,0,0]=4 7082 B12R0.113 CCCCCSC(C)CC(=O)OC 62a_100009817358_100000210326 [0,2,0,0,0,0|2,0,0]=4 7083 B12R0.113 CCCCNC[C@H](O)CC(=O)OC 7a_106832991798_100000754131 [0,2,0,0,0,0|2,0,0]=4 7084 B12R0.113 CCCCOCC(=O)CC(=O)NC 1458a_100000757543_100000183359 [0,2,0,0,0,0|1,0,1]=4 7085 B12R0.113 CCCCOCN(C)CC(=O)NC 2230a_100000189611_100011995733 [0,2,0,0,0,0|2,0,0]=4 7086 B12R0.113 CCCCOC[C@H](O)CC(=O)OC 34a_100000210227_100000754131 [0,2,0,0,0,0|2,0,0]=4 7087 B12R0.113 CCCCOC[C@H](O)CC(=O)OC 7a_100000210227_100000754131 [0,2,0,0,0,0|2,0,0]=4 7088 B12R0.113 CCCCSCC(=O)CC(=O)NC 1458a_100000191162_100000183359 [0,2,0,0,0,0|1,0,1]=4 7089 B12R0.113 CCCCSC[C@H](O)CC(=O)OC 62a_100000210211_100000754131 [0,2,0,0,0,0|2,0,0]=4 7090 B12R0.113 CCCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000210210 [0,2,0,0,0,0|2,0,0]=4 7091 B12R0.113 CCCOCCN(C)CC(=O)NC 2230a_100000189611_100011215938 [0,2,0,0,0,0|2,0,0]=4 7092 B12R0.113 CCOCCCN(C)CC(=O)NC 2230a_100000189611_100012232248 [0,2,0,0,0,0|2,0,0]=4 7093 B12R0.113 CNC(=O)CC(=O)CCCCCO 1458a_100102619762_100000183359 [0,2,0,0,0,0|1,0,1]=4 7094 B12R0.113 CNC(=O)CN(C)CCCCCF 2230a_100000189611_100000729378 [0,2,0,0,0,0|2,0,0]=4 7095 B12R0.113 CNC(=O)CN(C)CCCCCO 2230a_100000189611_100000746330 [0,2,0,0,0,0|2,0,0]=4 7096 B12R0.113 CNC(=O)CN(C)CCCCCO 2230a_100000722520_100000183359 [0,2,0,0,0,0|2,0,0]=4 7097 B12R0.113 CNC(=O)CN(C)CCCCCO 269982a_100000722520_100000183359 [0,2,0,0,0,0|2,0,0]=4 7098 B12R0.113 CNC(=O)CN(C)CCCCOC 2230a_100000189611_100000730899 [0,2,0,0,0,0|2,0,0]=4 7099 B12R0.142 CCCCCC(=O)CCC(=O)NC 1458a_100011309844_100000210326 [0,2,0,0,0,0|1,0,0]=3 7100 B12R0.142 CCCCCC(=O)CCC(=O)OC 1458a_100000187943_100000210326 [0,2,0,0,0,0|2,0,0]=4 7101 B12R0.142 CCCCCC(=O)NCC(=O)NC 11a_100000693194_100000212188 [0,2,0,0,0,0|1,0,1]=4 7102 B12R0.142 CCCCCC(=O)NCC(=O)NC 240690a_100000693194_100000212188 [0,2,0,0,0,0|1,0,1]=4 7103 B12R0.142 CCCCCC(=O)NCC(=O)NC 527a_100000693194_100000212188 [0,2,0,0,0,0|1,0,1]=4 7104 B12R0.142 CCCCCC(C)CCC(=O)CC 1458a_100000034243_100000210202 [0,2,0,0,0,0|2,0,0]=4 7105 B12R0.142 CCCCCC(C)CCC(=O)CF 1458a_100000034243_100015361967 [0,2,0,0,0,0|2,0,0]=4 7106 B12R0.142 CCCCCC(C)CCC(=O)NC 11a_106832991635_100000034243 [0,2,0,0,0,0|1,0,0]=3 7107 B12R0.142 CCCCCC(C)CCC(=O)NC 1626a_100102657272_100000034243 [0,2,0,0,0,0|1,0,0]=3 7108 B12R0.142 CCCCCC(C)CCC(=O)NC 240690a_100102657272_100000034243 [0,2,0,0,0,0|1,0,0]=3 7109 B12R0.142 CCCCCC(C)CCC(=O)NC 527a_100102657272_100000034243 [0,2,0,0,0,0|1,0,0]=3 7110 B12R0.142 CCCCCC(C)NCC(=O)NC 2230a_100000211957_100000183359 [0,2,0,0,0,0|1,0,0]=3 7111 B12R0.142 CCCCCC(C)NCC(=O)NC 2230a_100000693194_200011218191 [0,2,0,0,0,0|1,0,0]=3 7112 B12R0.142 CCCCCC(C)NCC(=O)NC 270004a_100000693194_100000211708 [0,2,0,0,0,0|1,0,0]=3 7113 B12R0.142 CCCCCC(C)NCC(=O)OC 2230a_100000211957_100000747449 [0,2,0,0,0,0|2,0,0]=4 7114 B12R0.142 CCCCCC(C)OCC(=O)CC 34a_100000725409_200011218191 [0,2,0,0,0,0|2,0,0]=4 7115 B12R0.142 CCCCCC(C)OCC(=O)CC 7a_100011215632_100000747405 [0,2,0,0,0,0|2,0,0]=4 7116 B12R0.142 CCCCCC(C)OCC(=O)NC 34a_100000750040_200011218191 [0,2,0,0,0,0|1,0,0]=3 7117 B12R0.142 CCCCCC(C)OCC(=O)NC 34a_100011215632_100000183359 [0,2,0,0,0,0|1,0,0]=3 7118 B12R0.142 CCCCCC(C)OCC(=O)NC 7a_100011215632_100000183359 [0,2,0,0,0,0|1,0,0]=3 7119 B12R0.142 CCCCCC(C)OCC(=O)OC 34a_100011215632_100000747449 [0,2,0,0,0,0|2,0,0]=4 7120 B12R0.142 CCCCCC(C)OCC(=O)OC 7a_100011215632_100000747449 [0,2,0,0,0,0|2,0,0]=4 7121 B12R0.142 CCCCCC(C)SCC(=O)CC 62a_100000747405_200011218191 [0,2,0,0,0,0|2,0,0]=4 7122 B12R0.142 CCCCCC(C)SCC(=O)CC 62a_200011218191_100000747405 [0,2,0,0,0,0|2,0,0]=4 7123 B12R0.142 CCCCCC(C)SCC(=O)NC 62a_100000183359_200011218191 [0,2,0,0,0,0|1,0,0]=3 7124 B12R0.142 CCCCCC(C)SCC(=O)NC 62a_200011218191_100000183359 [0,2,0,0,0,0|1,0,0]=3 7125 B12R0.142 CCCCCC(C)SCC(=O)OC 62a_100000747449_200011218191 [0,2,0,0,0,0|2,0,0]=4 7126 B12R0.142 CCCCCC(C)SCC(=O)OC 62a_200011218191_100000747449 [0,2,0,0,0,0|2,0,0]=4 7127 B12R0.142 CCCCCN(C)CCC(=O)CC 1458a_100016987678_100000210202 [0,2,0,0,0,0|2,0,0]=4 7128 B12R0.142 CCCCCN(C)CCC(=O)CF 1458a_100016987678_100015361967 [0,2,0,0,0,0|2,0,0]=4 7129 B12R0.142 CCCCCN(C)CCC(=O)NC 2230a_100000223495_100000737683 [0,2,0,0,0,0|1,0,0]=3 7130 B12R0.142 CCCCCN(C)CCC(=O)NC 2230a_100000750875_100000210326 [0,2,0,0,0,0|1,0,0]=3 7131 B12R0.142 CCCCCN(C)CCC(=O)NC 240690a_100102657272_100016987678 [0,2,0,0,0,0|1,0,0]=3 7132 B12R0.142 CCCCCN(C)CCC(=O)NC 269982a_100000223495_100000737683 [0,2,0,0,0,0|1,0,0]=3 7133 B12R0.142 CCCCCN(C)CCC(=O)NC 269982a_100000750875_100000210215 [0,2,0,0,0,0|1,0,0]=3 7134 B12R0.142 CCCCCN(C)CCC(=O)OC 2230a_100000223495_100000204255 [0,2,0,0,0,0|2,0,0]=4 7135 B12R0.142 CCCCCN(C)CCC(=O)OC 269982a_100000223495_100000204255 [0,2,0,0,0,0|2,0,0]=4 7136 B12R0.142 CCCCCN(C)CCC(=O)OC 269982a_100025711912_100000210215 [0,2,0,0,0,0|2,0,0]=4 7137 B12R0.142 CCCCNC(=O)CCC(=O)NC 11a_100000102301_100011309844 [0,2,0,0,0,0|1,0,1]=4 7138 B12R0.142 CCCCNC(=O)CCC(=O)NC 1626a_100000102301_100011309844 [0,2,0,0,0,0|1,0,1]=4 7139 B12R0.142 CCCCNC(=O)CCC(=O)NC 240690a_100000102301_100011309844 [0,2,0,0,0,0|1,0,1]=4 7140 B12R0.142 CCCCNC(=O)CCC(=O)NC 527a_100000102301_100011309844 [0,2,0,0,0,0|1,0,1]=4 7141 B12R0.142 CCCSCC(C)NCC(=O)NC 270004a_100000693194_100011343953 [0,2,0,0,0,0|2,0,0]=4 7142 B12R0.142 CCOCCC(=O)CCC(=O)NC 1458a_100011309844_100011215890 [0,2,0,0,0,0|1,0,1]=4 7143 B12R0.142 CCOCCC(C)NCC(=O)NC 270004a_100000693194_200011216536 [0,2,0,0,0,0|2,0,0]=4 7144 B12R0.142 CCOCCN(C)CCC(=O)NC 2230a_100000750875_100011215890 [0,2,0,0,0,0|2,0,0]=4 7145 B12R0.142 CCOCCN(C)CCC(=O)NC 269982a_100000750875_100011215890 [0,2,0,0,0,0|2,0,0]=4 7146 B12R0.142 CCSCCC(=O)CCC(=O)NC 1458a_100011309844_100000757381 [0,2,0,0,0,0|1,0,1]=4 7147 B12R0.142 CCSCCN(C)CCC(=O)NC 2230a_100000750875_100000757381 [0,2,0,0,0,0|2,0,0]=4 7148 B12R0.142 CCSCCN(C)CCC(=O)NC 269982a_100000750875_100000757381 [0,2,0,0,0,0|2,0,0]=4 7149 B12R0.142 CNC(=O)CCC(=O)CCCCF 1458a_100011309844_100000729493 [0,2,0,0,0,0|1,0,1]=4 7150 B12R0.142 CNC(=O)CCC(=O)CCCCO 1458a_100011309844_100000210776 [0,2,0,0,0,0|1,0,1]=4 7151 B12R0.142 CNC(=O)CCC(=O)CCCOC 1458a_100011309844_100000740836 [0,2,0,0,0,0|1,0,1]=4 7152 B12R0.142 CNC(=O)CCN(C)CCCCF 2230a_100000750875_100000729493 [0,2,0,0,0,0|2,0,0]=4 7153 B12R0.142 CNC(=O)CCN(C)CCCCF 269982a_100000750875_100000729493 [0,2,0,0,0,0|2,0,0]=4 7154 B12R0.142 CNC(=O)CCN(C)CCCCO 2230a_100000717598_100000737683 [0,2,0,0,0,0|2,0,0]=4 7155 B12R0.142 CNC(=O)CCN(C)CCCCO 2230a_100000750875_100000210776 [0,2,0,0,0,0|2,0,0]=4 7156 B12R0.142 CNC(=O)CCN(C)CCCCO 269982a_100000717598_100000737683 [0,2,0,0,0,0|2,0,0]=4 7157 B12R0.142 CNC(=O)CCN(C)CCCCO 269982a_100000750875_100000210776 [0,2,0,0,0,0|2,0,0]=4 7158 B12R0.142 CNC(=O)CCN(C)CCCOC 2230a_100000224831_100000737683 [0,2,0,0,0,0|2,0,0]=4 7159 B12R0.142 CNC(=O)CCN(C)CCCOC 2230a_100000750875_100000740836 [0,2,0,0,0,0|2,0,0]=4 7160 B12R0.142 CNC(=O)CCN(C)CCCOC 269982a_100000224831_100000737683 [0,2,0,0,0,0|2,0,0]=4 7161 B12R0.142 CNC(=O)CCN(C)CCCOC 269982a_100000750875_100000740836 [0,2,0,0,0,0|2,0,0]=4 7162 B12R0.142 CNC(=O)CNC(C)CCCSC 270004a_100000693194_100011399439 [0,2,0,0,0,0|2,0,0]=4 7163 B12R0.142 CNC(=O)COC(C)CCCOC 34a_200011539412_100000183359 [0,2,0,0,0,0|2,0,0]=4 7164 B12R0.142 CNC(=O)COC(C)CCCOC 7a_200011539412_100000183359 [0,2,0,0,0,0|2,0,0]=4 7165 B12R0.183 C#CC(O)CCCCCC(=O)CO 1458a_100000210174_200010408556 [0,2,0,0,0,0|1,0,1]=4 7166 B12R0.183 C=CC(C)COCCCC(=O)NC 34a_100011215527_100000741757 [0,2,0,0,0,0|2,0,0]=4 7167 B12R0.183 C=CC(C)COCCCC(=O)NC 7a_100011215527_100000741757 [0,2,0,0,0,0|2,0,0]=4 7168 B12R0.183 CCC(=O)CCCCCC(=O)OC 1458a_100000210414_100009816466 [0,2,0,0,0,0|2,0,0]=4 7169 B12R0.183 CCC(=O)CCCCCC(=O)OC 1458a_100009848860_100000210202 [0,2,0,0,0,0|2,0,0]=4 7170 B12R0.183 CCC(=O)COCCCC(=O)NC 34a_100000725409_100000741757 [0,2,0,0,0,0|1,0,1]=4 7171 B12R0.183 CCC(=O)COCCCC(C)CC 7a_100011216074_100000747405 [0,2,0,0,0,0|2,0,0]=4 7172 B12R0.183 CCC(=O)CSCCCC(=O)NC 62a_100000741757_100000747405 [0,2,0,0,0,0|1,0,1]=4 7173 B12R0.183 CCC(=O)CSCCCC(=O)NC 62a_100000747405_100000741757 [0,2,0,0,0,0|1,0,1]=4 7174 B12R0.183 CCC(C)CCCOCC(=O)NC 7a_100011216074_100000183359 [0,2,0,0,0,0|1,0,0]=3 7175 B12R0.183 CCC(C)CCCOCC(=O)OC 7a_100011216074_100000747449 [0,2,0,0,0,0|2,0,0]=4 7176 B12R0.183 CCC(C)CCNCCC(=O)NC 2230a_100020591266_100000737683 [0,2,0,0,0,0|1,0,0]=3 7177 B12R0.183 CCC(C)CCNCCC(=O)OC 2230a_100020591266_100000204255 [0,2,0,0,0,0|2,0,0]=4 7178 B12R0.183 CCC(C)CCOCCC(=O)NC 7a_100011215188_100000737683 [0,2,0,0,0,0|1,0,0]=3 7179 B12R0.183 CCC(C)CCOCCC(=O)OC 7a_100011215188_100000204255 [0,2,0,0,0,0|2,0,0]=4 7180 B12R0.183 CCC(C)CNCCCC(=O)NC 2230a_100000740002_100000748023 [0,2,0,0,0,0|1,0,0]=3 7181 B12R0.183 CCC(C)CNCCCC(=O)NC 2230a_100020588543_100000741757 [0,2,0,0,0,0|1,0,0]=3 7182 B12R0.183 CCC(C)CNCCCC(=O)NC 270004a_100000740002_100000243153 [0,2,0,0,0,0|1,0,0]=3 7183 B12R0.183 CCC(C)CNCCCC(=O)NC 34a_100000740002_100000748023 [0,2,0,0,0,0|1,0,0]=3 7184 B12R0.183 CCC(C)CNCCCC(=O)OC 2230a_100020588543_100011218270 [0,2,0,0,0,0|2,0,0]=4 7185 B12R0.183 CCC(C)CNCCNC(=O)NC 34a_100015205895_100000748023 [0,2,0,0,0,0|2,0,0]=4 7186 B12R0.183 CCC(C)COCCCC(=O)NN 34a_100000211488_100000748023 [0,2,0,0,0,0|1,0,0]=3 7187 B12R0.183 CCC(C)CSCCCC(=O)NC 62a_100000741757_100000748023 [0,2,0,0,0,0|1,0,0]=3 7188 B12R0.183 CCC(C)CSCCCC(=O)NC 62a_100000748023_100000741757 [0,2,0,0,0,0|1,0,0]=3 7189 B12R0.183 CCC(C)CSCCCC(=O)OC 62a_100000748023_100011218270 [0,2,0,0,0,0|2,0,0]=4 7190 B12R0.183 CCC(C)CSCCCC(=O)OC 62a_100011218270_100000748023 [0,2,0,0,0,0|2,0,0]=4 7191 B12R0.183 CCC(C)CSCCOC(=O)NC 62a_100000748023_200011997002 [0,2,0,0,0,0|2,0,0]=4 7192 B12R0.183 CCC(C)CSCCOC(=O)NC 62a_200011997002_100000748023 [0,2,0,0,0,0|2,0,0]=4 7193 B12R0.183 CCC(C)NCCCCC(=O)OC 2230a_100000209981_100000204269 [0,2,0,0,0,0|2,0,0]=4 7194 B12R0.183 CCC(C)OCCCCC(=O)OC 34a_100000059025_100011215416 [0,2,0,0,0,0|2,0,0]=4 7195 B12R0.183 CCC(C)OCCCCC(=O)OC 7a_100000059025_100000758301 [0,2,0,0,0,0|2,0,0]=4 7196 B12R0.183 CCC(C)OCCCCC(=O)OC 7a_100000210228_100000204269 [0,2,0,0,0,0|2,0,0]=4 7197 B12R0.183 CCC(C)SCCCCC(=O)OC 62a_100000204269_100000758301 [0,2,0,0,0,0|2,0,0]=4 7198 B12R0.183 CCC(C)SCCCCC(=O)OC 62a_100000758301_100000204269 [0,2,0,0,0,0|2,0,0]=4 7199 B12R0.183 CCC(O)CNCCCC(=O)NC 2230a_100000740002_100011218378 [0,2,0,0,0,0|1,0,0]=3 7200 B12R0.183 CCC(O)CNCCCC(=O)NC 2230a_100011218483_100000741757 [0,2,0,0,0,0|1,0,0]=3 7201 B12R0.183 CCC(O)CNCCCC(=O)NC 34a_100000740002_100011218378 [0,2,0,0,0,0|1,0,0]=3 7202 B12R0.183 CCC(O)CNCCCC(=O)OC 2230a_100011218483_100011218270 [0,2,0,0,0,0|2,0,0]=4 7203 B12R0.183 CCC(O)CNCCNC(=O)NC 34a_100015205895_100011218378 [0,2,0,0,0,0|2,0,0]=4 7204 B12R0.183 CCC(O)COCCCC(=O)NN 34a_100000211488_100011218378 [0,2,0,0,0,0|1,0,0]=3 7205 B12R0.183 CCC(O)CSCCCC(=O)NC 62a_100000741757_100011218378 [0,2,0,0,0,0|1,0,0]=3 7206 B12R0.183 CCC(O)CSCCCC(=O)NC 62a_100011218378_100000741757 [0,2,0,0,0,0|1,0,0]=3 7207 B12R0.183 CCC(O)CSCCCC(=O)OC 62a_100011218270_100011218378 [0,2,0,0,0,0|2,0,0]=4 7208 B12R0.183 CCC(O)CSCCCC(=O)OC 62a_100011218378_100011218270 [0,2,0,0,0,0|2,0,0]=4 7209 B12R0.183 CCC(O)CSCCOC(=O)NC 62a_100011218378_200011997002 [0,2,0,0,0,0|2,0,0]=4 7210 B12R0.183 CCC(O)CSCCOC(=O)NC 62a_200011997002_100011218378 [0,2,0,0,0,0|2,0,0]=4 7211 B12R0.183 CCN(C)CCCCCC(=O)OC 2230a_100000225621_100009816466 [0,2,0,0,0,0|2,0,0]=4 7212 B12R0.183 CCN(C)CCCCCC(=O)OC 269982a_100000225621_100009816466 [0,2,0,0,0,0|2,0,0]=4 7213 B12R0.183 CCN(C)CCCNCC(=O)NC 2230a_100000693194_100015186262 [0,2,0,0,0,0|2,0,0]=4 7214 B12R0.183 CCN(C)CCCSCC(=O)NC 62a_100000183359_100015186262 [0,2,0,0,0,0|2,0,0]=4 7215 B12R0.183 CC[C@H](C)CNCCCC(=O)NC 2230a_100000740002_100009816398 [0,2,0,0,0,0|1,0,0]=3 7216 B12R0.183 CC[C@H](C)CNCCCC(=O)NC 34a_100000740002_100009816398 [0,2,0,0,0,0|1,0,0]=3 7217 B12R0.183 CC[C@H](C)CNCCNC(=O)NC 34a_100015205895_100009816398 [0,2,0,0,0,0|2,0,0]=4 7218 B12R0.183 CC[C@H](C)COCCCC(=O)NC 7a_100009816381_100000741757 [0,2,0,0,0,0|1,0,0]=3 7219 B12R0.183 CC[C@H](C)COCCCC(=O)NN 34a_100000211488_100009816398 [0,2,0,0,0,0|1,0,0]=3 7220 B12R0.183 CC[C@H](C)COCCCC(=O)OC 7a_100009816381_100011218270 [0,2,0,0,0,0|2,0,0]=4 7221 B12R0.183 CC[C@H](C)COCCOC(=O)NC 7a_100009816381_200011997002 [0,2,0,0,0,0|2,0,0]=4 7222 B12R0.183 CC[C@H](C)CSCCCC(=O)NC 62a_100000741757_100009816398 [0,2,0,0,0,0|1,0,0]=3 7223 B12R0.183 CC[C@H](C)CSCCCC(=O)NC 62a_100009816398_100000741757 [0,2,0,0,0,0|1,0,0]=3 7224 B12R0.183 CC[C@H](C)CSCCCC(=O)OC 62a_100009816398_100011218270 [0,2,0,0,0,0|2,0,0]=4 7225 B12R0.183 CC[C@H](C)CSCCCC(=O)OC 62a_100011218270_100009816398 [0,2,0,0,0,0|2,0,0]=4 7226 B12R0.183 CC[C@H](C)CSCCOC(=O)NC 62a_100009816398_200011997002 [0,2,0,0,0,0|2,0,0]=4 7227 B12R0.183 CC[C@H](C)CSCCOC(=O)NC 62a_200011997002_100009816398 [0,2,0,0,0,0|2,0,0]=4 7228 B12R0.183 CNC(=O)CCCCCC(=O)OC 11a_106832991635_100009848860 [0,2,0,0,0,0|1,0,1]=4 7229 B12R0.183 CNC(=O)CCCCCC(=O)OC 1626a_100102657272_100009848860 [0,2,0,0,0,0|1,0,1]=4 7230 B12R0.183 CNC(=O)CCCCCC(=O)OC 240690a_100102657272_100009848860 [0,2,0,0,0,0|1,0,1]=4 7231 B12R0.183 CNC(=O)CCCNCC(C)CO 34a_100000744482_100000741757 [0,2,0,0,0,0|2,0,0]=4 7232 B12R0.183 CNC(=O)CCCNCC(O)CO 2230a_100000740002_100011219619 [0,2,0,0,0,0|2,0,0]=4 7233 B12R0.183 CNC(=O)CCCNCC(O)CO 34a_100000740002_100011219619 [0,2,0,0,0,0|2,0,0]=4 7234 B12R0.183 CNC(=O)CCCNC[C@@H](C)CO 2230a_100000740002_100000059175 [0,2,0,0,0,0|2,0,0]=4 7235 B12R0.183 CNC(=O)CCCNC[C@@H](C)CO 34a_100000740002_100000059175 [0,2,0,0,0,0|2,0,0]=4 7236 B12R0.183 CNC(=O)CCCNC[C@@H](C)OC 2230a_100020591295_100000741757 [0,2,0,0,0,0|2,0,0]=4 7237 B12R0.183 CNC(=O)CCCNC[C@@H](F)CO 34a_100015665980_100000741757 [0,2,0,0,0,0|2,0,0]=4 7238 B12R0.183 CNC(=O)CCCNC[C@@H](O)CF 2230a_100000740002_100015614560 [0,2,0,0,0,0|2,0,0]=4 7239 B12R0.183 CNC(=O)CCCNC[C@@H](O)CF 34a_100000740002_100015614560 [0,2,0,0,0,0|2,0,0]=4 7240 B12R0.183 CNC(=O)CCCNC[C@@H](O)CO 2230a_100000740002_100009815848 [0,2,0,0,0,0|2,0,0]=4 7241 B12R0.183 CNC(=O)CCCNC[C@@H](O)CO 34a_100000740002_100009815848 [0,2,0,0,0,0|2,0,0]=4 7242 B12R0.183 CNC(=O)CCCNC[C@H](O)CO 2230a_100020644852_100000741757 [0,2,0,0,0,0|2,0,0]=4 7243 B12R0.183 CNC(=O)CCCOCC(C)CN 34a_100000744482_100000741757 [0,2,0,0,0,0|2,0,0]=4 7244 B12R0.183 CNC(=O)CCCOCC(C)OC 34a_100000690652_100000741757 [0,2,0,0,0,0|2,0,0]=4 7245 B12R0.183 CNC(=O)CCCOCC(Cl)CCl 34a_100000033668_100000741757 [0,2,0,0,0,0|2,0,0]=4 7246 B12R0.183 CNC(=O)CCCOC[C@H](F)CN 34a_100015665980_100000741757 [0,2,0,0,0,0|2,0,0]=4 7247 B12R0.183 CNC(=O)CCCSCC(O)CO 62a_100000741757_100011219619 [0,2,0,0,0,0|2,0,0]=4 7248 B12R0.183 CNC(=O)CCCSCC(O)CO 62a_100011219619_100000741757 [0,2,0,0,0,0|2,0,0]=4 7249 B12R0.183 CNC(=O)CCCSC[C@@H](C)CO 62a_100000059175_100000741757 [0,2,0,0,0,0|2,0,0]=4 7250 B12R0.183 CNC(=O)CCCSC[C@@H](C)CO 62a_100000741757_100000059175 [0,2,0,0,0,0|2,0,0]=4 7251 B12R0.183 CNC(=O)CCCSC[C@@H](O)CF 62a_100000741757_100015614560 [0,2,0,0,0,0|2,0,0]=4 7252 B12R0.183 CNC(=O)CCCSC[C@@H](O)CF 62a_100015614560_100000741757 [0,2,0,0,0,0|2,0,0]=4 7253 B12R0.183 CNC(=O)CCCSC[C@@H](O)CO 62a_100000741757_100009815848 [0,2,0,0,0,0|2,0,0]=4 7254 B12R0.183 CNC(=O)CCCSC[C@@H](O)CO 62a_100009815848_100000741757 [0,2,0,0,0,0|2,0,0]=4 7255 B12R0.183 CNC(=O)CCNCCC(C)CO 2230a_106354213184_100000737683 [0,2,0,0,0,0|2,0,0]=4 7256 B12R0.183 CNC(=O)CCNCCC(C)CO 34a_106354213184_100012179268 [0,2,0,0,0,0|2,0,0]=4 7257 B12R0.183 CNC(=O)CCOCCC(C)OC 7a_100000764861_100000737683 [0,2,0,0,0,0|2,0,0]=4 7258 B12R0.183 CNC(=O)COCCC[C@@H](C)CN 34a_100160569302_100000183359 [0,2,0,0,0,0|2,0,0]=4 7259 B12R0.183 COC(=O)CCCCCC(=O)CO 1458a_100000210174_100009816466 [0,2,0,0,0,0|1,0,1]=4 7260 B12R0.183 C[C@@H](CO)COCCCC(=O)NN 34a_100000211488_100000059175 [0,2,0,0,0,0|2,0,0]=4 7261 B12R0.183 NNC(=O)CCCOCC(O)CO 34a_100000211488_100011219619 [0,2,0,0,0,0|2,0,0]=4 7262 B12R0.183 NNC(=O)CCCOC[C@@H](O)CF 34a_100000211488_100015614560 [0,2,0,0,0,0|2,0,0]=4 7263 B12R0.183 NNC(=O)CCCOC[C@@H](O)CO 34a_100000211488_100009815848 [0,2,0,0,0,0|2,0,0]=4 7264 B12R0.184 C=C(C)CCNCCCC(=O)NC 2230a_100000740002_100000730704 [0,2,0,0,0,0|1,0,1]=4 7265 B12R0.184 C=C(C)CCNCCCC(=O)NC 34a_100000740002_100000730704 [0,2,0,0,0,0|1,0,1]=4 7266 B12R0.184 C=C(C)CCOCCCC(=O)NC 34a_100000764851_100000741757 [0,2,0,0,0,0|1,0,1]=4 7267 B12R0.184 C=C(C)CCOCCCC(=O)NN 34a_100000211488_100000730704 [0,2,0,0,0,0|1,0,1]=4 7268 B12R0.184 C=C(C)CCSCCCC(=O)NC 62a_100000730704_100000741757 [0,2,0,0,0,0|1,0,1]=4 7269 B12R0.184 C=C(C)CCSCCCC(=O)NC 62a_100000741757_100000730704 [0,2,0,0,0,0|1,0,1]=4 7270 B12R0.184 C=CC(=O)NCCCCCC(C)C 1626a_100011290863_100000185746 [0,2,0,0,0,0|2,0,0]=4 7271 B12R0.184 C=CC(=O)NCCCCCC(C)C 240690a_100011290863_200121576911 [0,2,0,0,0,0|2,0,0]=4 7272 B12R0.184 CC(=O)OCCCCCC(=O)CO 1458a_100000210174_100000033007 [0,2,0,0,0,0|1,0,1]=4 7273 B12R0.184 CC(C)CCCCCCC(=O)CF 1458a_100000040743_100015361967 [0,2,0,0,0,0|2,0,0]=4 7274 B12R0.184 CC(C)CCCCCNC(=O)CO 240690a_100011290863_100000210174 [0,2,0,0,0,0|1,0,0]=3 7275 B12R0.184 CC(C)CCCCCNC(=O)CO 527a_100011290863_100000210174 [0,2,0,0,0,0|1,0,0]=3 7276 B12R0.184 CC(C)CCCOCCC(=NO)N 34a_100000749954_100011214892 [0,2,0,0,0,0|1,0,1]=4 7277 B12R0.184 CC(C)CCOCCCC(=O)NN 34a_100000211488_100000210312 [0,2,0,0,0,0|1,0,0]=3 7278 B12R0.184 CC(C)COCCCNC(=O)CO 240690a_100000205972_100000210174 [0,2,0,0,0,0|2,0,0]=4 7279 B12R0.184 CC(C)COCCCNC(=O)CO 527a_100000205972_100000210174 [0,2,0,0,0,0|2,0,0]=4 7280 B12R0.184 CC(C)OCOCCCC(=O)NN 34a_100000211488_100000709892 [0,2,0,0,0,0|2,0,0]=4 7281 B12R0.184 CC(O)CCCOCCC(=NO)N 34a_100000749954_200000718107 [0,2,0,0,0,0|1,0,1]=4 7282 B12R0.184 CC(O)CCOCCCC(=O)NN 34a_100000211488_100012276601 [0,2,0,0,0,0|1,0,0]=3 7283 B12R0.184 CCC(=O)CCCCCCC(C)C 1458a_100000040743_100000210202 [0,2,0,0,0,0|2,0,0]=4 7284 B12R0.184 CCC(=O)COCCCCC(C)C 34a_100000725409_100011216152 [0,2,0,0,0,0|2,0,0]=4 7285 B12R0.184 CCC(=O)COCCCCC(C)C 7a_100011214890_100000747405 [0,2,0,0,0,0|2,0,0]=4 7286 B12R0.184 CCC(=O)CSCCCCC(C)C 62a_100000747405_100011216152 [0,2,0,0,0,0|2,0,0]=4 7287 B12R0.184 CCC(=O)CSCCCCC(C)C 62a_100011216152_100000747405 [0,2,0,0,0,0|2,0,0]=4 7288 B12R0.184 CCC(=O)NCCCCCC(C)C 1626a_100011290863_100000210414 [0,2,0,0,0,0|2,0,0]=4 7289 B12R0.184 CCC(=O)NCCCCCC(C)C 240690a_100011290863_100000210414 [0,2,0,0,0,0|2,0,0]=4 7290 B12R0.184 CCC(=O)NCCCCCC(C)C 527a_100011290863_100000210414 [0,2,0,0,0,0|2,0,0]=4 7291 B12R0.184 CN(C)CCCCCNC(=O)CO 240690a_100020635752_100000210174 [0,2,0,0,0,0|2,0,0]=4 7292 B12R0.184 CNC(=O)CCCC/C=C/C(C)C 11a_106832991635_200016995844 [0,2,0,0,0,0|1,0,1]=4 7293 B12R0.184 CNC(=O)CCCC/C=C/C(C)C 1626a_100102657272_200016995844 [0,2,0,0,0,0|1,0,1]=4 7294 B12R0.184 CNC(=O)CCCC/C=C/C(C)C 240690a_100102657272_200016995844 [0,2,0,0,0,0|1,0,1]=4 7295 B12R0.184 CNC(=O)CCCC/C=C/C(C)C 527a_100102657272_200016995844 [0,2,0,0,0,0|1,0,1]=4 7296 B12R0.184 CNC(=O)CCCCCCC(C)C 11a_106832991635_100000040743 [0,2,0,0,0,0|1,0,0]=3 7297 B12R0.184 CNC(=O)CCCCCCC(C)C 1626a_100102657272_100000040743 [0,2,0,0,0,0|1,0,0]=3 7298 B12R0.184 CNC(=O)CCCCCCC(C)C 240690a_100102657272_100000040743 [0,2,0,0,0,0|1,0,0]=3 7299 B12R0.184 CNC(=O)CCCCCCC(C)C 527a_100102657272_100000040743 [0,2,0,0,0,0|1,0,0]=3 7300 B12R0.184 CNC(=O)CCCCCNC(=O)C 11a_106832991635_100000183861 [0,2,0,0,0,0|1,0,1]=4 7301 B12R0.184 CNC(=O)CCCCCNC(=O)C 1626a_100102657272_100000183861 [0,2,0,0,0,0|1,0,1]=4 7302 B12R0.184 CNC(=O)CCCCCNC(=O)C 240690a_100102657272_100000183861 [0,2,0,0,0,0|1,0,1]=4 7303 B12R0.184 CNC(=O)CCCNCCC(C)C 2230a_100000740002_100000210312 [0,2,0,0,0,0|1,0,0]=3 7304 B12R0.184 CNC(=O)CCCNCCC(C)C 269862a_100000740002_100000185833 [0,2,0,0,0,0|1,0,0]=3 7305 B12R0.184 CNC(=O)CCCNCCC(C)C 34a_100000740002_100000210312 [0,2,0,0,0,0|1,0,0]=3 7306 B12R0.184 CNC(=O)CCCNCCC(C)O 2230a_100000740002_100012276601 [0,2,0,0,0,0|1,0,0]=3 7307 B12R0.184 CNC(=O)CCCNCCC(C)O 2230a_200000755665_100000741757 [0,2,0,0,0,0|1,0,0]=3 7308 B12R0.184 CNC(=O)CCCNCCC(C)O 34a_100000740002_100012276601 [0,2,0,0,0,0|1,0,0]=3 7309 B12R0.184 CNC(=O)CCCNCOC(C)C 2230a_100000740002_100000709892 [0,2,0,0,0,0|2,0,0]=4 7310 B12R0.184 CNC(=O)CCCNCOC(C)C 34a_100000740002_100000709892 [0,2,0,0,0,0|2,0,0]=4 7311 B12R0.184 CNC(=O)CCCOCCC(=O)C 34a_100000759926_100000741757 [0,2,0,0,0,0|1,0,1]=4 7312 B12R0.184 CNC(=O)CCCOCCC(=O)C 7a_100000759926_100000741757 [0,2,0,0,0,0|1,0,1]=4 7313 B12R0.184 CNC(=O)CCCOCCC(C)Br 34a_100009893172_100000741757 [0,2,0,0,0,0|1,0,0]=3 7314 B12R0.184 CNC(=O)CCCOCCC(C)C 34a_100000210254_100000741757 [0,2,0,0,0,0|1,0,0]=3 7315 B12R0.184 CNC(=O)CCCOCCC(C)C 7a_100000210254_100000741757 [0,2,0,0,0,0|1,0,0]=3 7316 B12R0.184 CNC(=O)CCCOCCC(F)F 34a_100103093639_100000741757 [0,2,0,0,0,0|2,0,0]=4 7317 B12R0.184 CNC(=O)CCCOCC[C@@H](C)N 34a_100000706166_100000741757 [0,2,0,0,0,0|1,0,0]=3 7318 B12R0.184 CNC(=O)CCCSCCC(=O)C 62a_100000053229_100000741757 [0,2,0,0,0,0|1,0,1]=4 7319 B12R0.184 CNC(=O)CCCSCCC(=O)C 62a_100000741757_100000053229 [0,2,0,0,0,0|1,0,1]=4 7320 B12R0.184 CNC(=O)CCCSCCC(C)C 62a_100000210312_100000741757 [0,2,0,0,0,0|1,0,0]=3 7321 B12R0.184 CNC(=O)CCCSCCC(C)C 62a_100000741757_100000210312 [0,2,0,0,0,0|1,0,0]=3 7322 B12R0.184 CNC(=O)CCCSCCC(C)O 62a_100000741757_100012276601 [0,2,0,0,0,0|1,0,0]=3 7323 B12R0.184 CNC(=O)CCCSCCC(C)O 62a_100012276601_100000741757 [0,2,0,0,0,0|1,0,0]=3 7324 B12R0.184 CNC(=O)CCCSCCN(C)C 62a_100000741757_100000755713 [0,2,0,0,0,0|2,0,0]=4 7325 B12R0.184 CNC(=O)CCCSCOC(C)C 62a_100000709892_100000741757 [0,2,0,0,0,0|2,0,0]=4 7326 B12R0.184 CNC(=O)CCCSCOC(C)C 62a_100000741757_100000709892 [0,2,0,0,0,0|2,0,0]=4 7327 B12R0.184 CNC(=O)CCNCCCC(=O)C 34a_100000738227_100000685027 [0,2,0,0,0,0|1,0,1]=4 7328 B12R0.184 CNC(=O)CCNCCCC(C)C 2230a_100000738227_100011214892 [0,2,0,0,0,0|1,0,0]=3 7329 B12R0.184 CNC(=O)CCNCCCC(C)C 2230a_200000737386_100000737683 [0,2,0,0,0,0|1,0,0]=3 7330 B12R0.184 CNC(=O)CCNCCCC(C)C 34a_100000738227_100011214892 [0,2,0,0,0,0|1,0,0]=3 7331 B12R0.184 CNC(=O)CCNCCCC(C)C 34a_200000737386_100012179268 [0,2,0,0,0,0|1,0,0]=3 7332 B12R0.184 CNC(=O)CCNCCCC(C)O 2230a_100000738227_200000718107 [0,2,0,0,0,0|1,0,0]=3 7333 B12R0.184 CNC(=O)CCNCCCC(C)O 34a_100000738227_200000718107 [0,2,0,0,0,0|1,0,0]=3 7334 B12R0.184 CNC(=O)CCNCCCS(=O)C 2230a_200000753449_100000737683 [0,2,0,0,0,0|2,0,0]=4 7335 B12R0.184 CNC(=O)CCNCCOC(C)C 2230a_100000701111_100000737683 [0,2,0,0,0,0|2,0,0]=4 7336 B12R0.184 CNC(=O)CCNCCOC(C)C 2230a_100000738227_100000211751 [0,2,0,0,0,0|2,0,0]=4 7337 B12R0.184 CNC(=O)CCNCCOC(C)C 34a_100000701111_100012179268 [0,2,0,0,0,0|2,0,0]=4 7338 B12R0.184 CNC(=O)CCNCCOC(C)C 34a_100000738227_100000211751 [0,2,0,0,0,0|2,0,0]=4 7339 B12R0.184 CNC(=O)CCNCCSC(C)C 2230a_100000731138_100000737683 [0,2,0,0,0,0|2,0,0]=4 7340 B12R0.184 CNC(=O)CCNCCSC(C)C 2230a_100000738227_100000730970 [0,2,0,0,0,0|2,0,0]=4 7341 B12R0.184 CNC(=O)CCNCCSC(C)C 34a_100000731138_100012179268 [0,2,0,0,0,0|2,0,0]=4 7342 B12R0.184 CNC(=O)CCNCCSC(C)C 34a_100000738227_100000730970 [0,2,0,0,0,0|2,0,0]=4 7343 B12R0.184 CNC(=O)CCOCCCC(=O)C 34a_100000754576_100000685027 [0,2,0,0,0,0|1,0,1]=4 7344 B12R0.184 CNC(=O)CCOCCCC(=O)C 34a_100000759063_100012179268 [0,2,0,0,0,0|1,0,1]=4 7345 B12R0.184 CNC(=O)CCOCCCC(=O)C 7a_100000759063_100000737683 [0,2,0,0,0,0|1,0,1]=4 7346 B12R0.184 CNC(=O)CCOCCCC(C)C 34a_100000210774_100012179268 [0,2,0,0,0,0|1,0,0]=3 7347 B12R0.184 CNC(=O)CCOCCCC(C)C 34a_100000754576_100011214892 [0,2,0,0,0,0|1,0,0]=3 7348 B12R0.184 CNC(=O)CCOCCCC(C)C 7a_100000210774_100000737683 [0,2,0,0,0,0|1,0,0]=3 7349 B12R0.184 CNC(=O)CCOCCCC(C)O 34a_100000754576_200000718107 [0,2,0,0,0,0|1,0,0]=3 7350 B12R0.184 CNC(=O)CCOCCNC(C)C 34a_100000224655_100012179268 [0,2,0,0,0,0|2,0,0]=4 7351 B12R0.184 CNC(=O)CCOCCOC(C)C 34a_100000211219_100012179268 [0,2,0,0,0,0|2,0,0]=4 7352 B12R0.184 CNC(=O)CCOCCOC(C)C 34a_100000754576_100000211751 [0,2,0,0,0,0|2,0,0]=4 7353 B12R0.184 CNC(=O)CCOCCOC(C)C 7a_100000211219_100000737683 [0,2,0,0,0,0|2,0,0]=4 7354 B12R0.184 CNC(=O)CCOCCSC(C)C 34a_100000754576_100000730970 [0,2,0,0,0,0|2,0,0]=4 7355 B12R0.184 CNC(=O)CCOCCSC(C)C 34a_200011212901_100012179268 [0,2,0,0,0,0|2,0,0]=4 7356 B12R0.184 CNC(=O)CCOCCSC(C)C 7a_200011212901_100000737683 [0,2,0,0,0,0|2,0,0]=4 7357 B12R0.184 CNC(=O)CCSCCCC(=O)C 62a_100000737683_100011215641 [0,2,0,0,0,0|1,0,1]=4 7358 B12R0.184 CNC(=O)CCSCCCC(=O)C 62a_100011215641_100000737683 [0,2,0,0,0,0|1,0,1]=4 7359 B12R0.184 CNC(=O)CCSCCCC(C)C 62a_100000737683_100011214892 [0,2,0,0,0,0|1,0,0]=3 7360 B12R0.184 CNC(=O)CCSCCCC(C)C 62a_100011214892_100000737683 [0,2,0,0,0,0|1,0,0]=3 7361 B12R0.184 CNC(=O)CCSCCCC(C)O 62a_100000737683_200000718107 [0,2,0,0,0,0|1,0,0]=3 7362 B12R0.184 CNC(=O)CCSCCCC(C)O 62a_200000718107_100000737683 [0,2,0,0,0,0|1,0,0]=3 7363 B12R0.184 CNC(=O)CCSCCCN(C)C 62a_100000737683_100000757444 [0,2,0,0,0,0|2,0,0]=4 7364 B12R0.184 CNC(=O)CCSCCOC(C)C 62a_100000211751_100000737683 [0,2,0,0,0,0|2,0,0]=4 7365 B12R0.184 CNC(=O)CCSCCOC(C)C 62a_100000737683_100000211751 [0,2,0,0,0,0|2,0,0]=4 7366 B12R0.184 CNC(=O)CCSCCSC(C)C 62a_100000730970_100000737683 [0,2,0,0,0,0|2,0,0]=4 7367 B12R0.184 CNC(=O)CCSCCSC(C)C 62a_100000737683_100000730970 [0,2,0,0,0,0|2,0,0]=4 7368 B12R0.184 CNC(=O)CNCCCCC(C)C 2230a_100000693194_100011216152 [0,2,0,0,0,0|1,0,0]=3 7369 B12R0.184 CNC(=O)CNCCCOC(C)C 2230a_100000737246_100000183359 [0,2,0,0,0,0|2,0,0]=4 7370 B12R0.184 CNC(=O)CNCCCOC(C)C 34a_100000737246_100000183359 [0,2,0,0,0,0|2,0,0]=4 7371 B12R0.184 CNC(=O)COCCCCC(=O)C 34a_100000750040_100009817362 [0,2,0,0,0,0|1,0,1]=4 7372 B12R0.184 CNC(=O)COCCCCC(C)C 34a_100000750040_100011216152 [0,2,0,0,0,0|1,0,0]=3 7373 B12R0.184 CNC(=O)COCCCCC(C)C 34a_100011214890_100000183359 [0,2,0,0,0,0|1,0,0]=3 7374 B12R0.184 CNC(=O)COCCCCC(C)C 7a_100011214890_100000183359 [0,2,0,0,0,0|1,0,0]=3 7375 B12R0.184 CNC(=O)COCCCNC(C)C 34a_100000182298_100000183359 [0,2,0,0,0,0|2,0,0]=4 7376 B12R0.184 CNC(=O)COCCNCC(C)C 34a_100015185251_100000183359 [0,2,0,0,0,0|2,0,0]=4 7377 B12R0.184 CNC(=O)COCCOCC(C)C 34a_100000703358_100000183359 [0,2,0,0,0,0|2,0,0]=4 7378 B12R0.184 CNC(=O)COCCOCC(C)C 7a_100000703358_100000183359 [0,2,0,0,0,0|2,0,0]=4 7379 B12R0.184 CNC(=O)COCCSCC(C)C 34a_200000230437_100000183359 [0,2,0,0,0,0|2,0,0]=4 7380 B12R0.184 CNC(=O)COCCSCC(C)C 7a_200000230437_100000183359 [0,2,0,0,0,0|2,0,0]=4 7381 B12R0.184 CNC(=O)CSCCCCC(=O)C 62a_100000183359_100000735457 [0,2,0,0,0,0|1,0,1]=4 7382 B12R0.184 CNC(=O)CSCCCCC(=O)C 62a_100000735457_100000183359 [0,2,0,0,0,0|1,0,1]=4 7383 B12R0.184 CNC(=O)CSCCCCC(C)C 62a_100000183359_100011216152 [0,2,0,0,0,0|1,0,0]=3 7384 B12R0.184 CNC(=O)CSCCCCC(C)C 62a_100011216152_100000183359 [0,2,0,0,0,0|1,0,0]=3 7385 B12R0.184 CNC(=O)CSCCCCN(C)C 62a_100000183359_100000690147 [0,2,0,0,0,0|2,0,0]=4 7386 B12R0.184 CNC(=O)NCCCCCC(C)C 2708a_100011290863_106832991635 [0,2,0,0,0,0|1,0,0]=3 7387 B12R0.184 CNC(=O)NCCCCCC(C)C 2708a_100102657272_100011290863 [0,2,0,0,0,0|1,0,0]=3 7388 B12R0.184 CNC(=O)NCCCCCC(C)C 273464a_100011290863_100102657272 [0,2,0,0,0,0|1,0,0]=3 7389 B12R0.184 CNC(=O)NCCCCCC(C)C 273464a_100102657272_100011290863 [0,2,0,0,0,0|1,0,0]=3 7390 B12R0.184 CNC(=O)NCCCCCC(C)C 512a_100011290863_100102657272 [0,2,0,0,0,0|1,0,0]=3 7391 B12R0.184 CNC(=O)NCCCCCC(C)C 512a_106832991638_100011290863 [0,2,0,0,0,0|1,0,0]=3 7392 B12R0.184 CNC(=O)NCCCCCN(C)C 2708a_100020635752_106832991635 [0,2,0,0,0,0|2,0,0]=4 7393 B12R0.184 CNC(=O)NCCCCCN(C)C 2708a_100102657272_100020635752 [0,2,0,0,0,0|2,0,0]=4 7394 B12R0.184 CNC(=O)NCCCCCN(C)C 273464a_100020635752_100102657272 [0,2,0,0,0,0|2,0,0]=4 7395 B12R0.184 CNC(=O)NCCCCCN(C)C 273464a_100102657272_100020635752 [0,2,0,0,0,0|2,0,0]=4 7396 B12R0.184 CNC(=O)NCCCCCN(C)C 512a_100020635752_100102657272 [0,2,0,0,0,0|2,0,0]=4 7397 B12R0.184 CNC(=O)NCCCCCN(C)C 512a_106832991638_100020635752 [0,2,0,0,0,0|2,0,0]=4 7398 B12R0.184 CNC(=O)NCCCOCC(C)C 2708a_100000205972_106832991635 [0,2,0,0,0,0|2,0,0]=4 7399 B12R0.184 CNC(=O)NCCCOCC(C)C 2708a_100102657272_100000205972 [0,2,0,0,0,0|2,0,0]=4 7400 B12R0.184 CNC(=O)NCCCOCC(C)C 273464a_100000205972_100102657272 [0,2,0,0,0,0|2,0,0]=4 7401 B12R0.184 CNC(=O)NCCCOCC(C)C 273464a_100102657272_100000205972 [0,2,0,0,0,0|2,0,0]=4 7402 B12R0.184 CNC(=O)NCCCOCC(C)C 512a_100000205972_100102657272 [0,2,0,0,0,0|2,0,0]=4 7403 B12R0.184 CNC(=O)NCCCOCC(C)C 512a_106832991638_100000205972 [0,2,0,0,0,0|2,0,0]=4 7404 B12R0.184 CNC(=O)NCCNCCC(C)C 269862a_100015205895_100000185833 [0,2,0,0,0,0|2,0,0]=4 7405 B12R0.184 CNC(=O)NCCNCCC(C)C 34a_100015205895_100000210312 [0,2,0,0,0,0|2,0,0]=4 7406 B12R0.184 CNC(=O)NCCNCCC(C)O 34a_100015205895_100012276601 [0,2,0,0,0,0|2,0,0]=4 7407 B12R0.184 CNC(=O)OCCOCCC(C)Br 34a_100009893172_200011997002 [0,2,0,0,0,0|2,0,0]=4 7408 B12R0.184 CNC(=O)OCCOCCC(C)C 34a_100000210254_200011997002 [0,2,0,0,0,0|2,0,0]=4 7409 B12R0.184 CNC(=O)OCCOCCC(C)C 7a_100000210254_200011997002 [0,2,0,0,0,0|2,0,0]=4 7410 B12R0.184 CNC(=O)OCCOCC[C@@H](C)N 34a_100000706166_200011997002 [0,2,0,0,0,0|2,0,0]=4 7411 B12R0.184 CNC(=O)OCCSCCC(C)C 62a_100000210312_200011997002 [0,2,0,0,0,0|2,0,0]=4 7412 B12R0.184 CNC(=O)OCCSCCC(C)C 62a_200011997002_100000210312 [0,2,0,0,0,0|2,0,0]=4 7413 B12R0.184 CNC(=O)OCCSCCC(C)O 62a_100012276601_200011997002 [0,2,0,0,0,0|2,0,0]=4 7414 B12R0.184 CNC(=O)OCCSCCC(C)O 62a_200011997002_100012276601 [0,2,0,0,0,0|2,0,0]=4 7415 B12R0.184 COC(=O)CCCCCCC(=O)C 1458a_100000036694_200000210301 [0,2,0,0,0,0|2,0,0]=4 7416 B12R0.184 COC(=O)CCCCCCC(=O)C 1458a_100000070787_100009815986 [0,2,0,0,0,0|2,0,0]=4 7417 B12R0.184 COC(=O)CCCCCCC(=O)[13CH3] 1458a_100000036694_200025704644 [0,2,0,0,0,0|2,0,0]=4 7418 B12R0.184 COC(=O)CCCCCCN(C)C 2230a_100102631434_100009815986 [0,2,0,0,0,0|2,0,0]=4 7419 B12R0.184 COC(=O)CCCCCCN(C)C 269982a_100102631434_100009815986 [0,2,0,0,0,0|2,0,0]=4 7420 B12R0.184 COC(=O)CCCCCNC(C)C 2230a_100138425928_100009816466 [0,2,0,0,0,0|2,0,0]=4 7421 B12R0.184 COC(=O)CCCCCNC(C)C 34a_100138425928_100009816466 [0,2,0,0,0,0|2,0,0]=4 7422 B12R0.184 COC(=O)CCCCCOC(C)C 34a_100000074720_100000210206 [0,2,0,0,0,0|2,0,0]=4 7423 B12R0.184 COC(=O)CCCCCOC(C)C 34a_100000212225_100009816466 [0,2,0,0,0,0|2,0,0]=4 7424 B12R0.184 COC(=O)CCCCCOC(C)C 7a_100000074720_100000210206 [0,2,0,0,0,0|2,0,0]=4 7425 B12R0.184 COC(=O)CCCCCSC(C)C 62a_100000210206_100009816466 [0,2,0,0,0,0|2,0,0]=4 7426 B12R0.184 COC(=O)CCCCCSC(C)C 62a_100009816466_100000210206 [0,2,0,0,0,0|2,0,0]=4 7427 B12R0.184 COC(=O)CCCCNCC(C)C 2230a_100000210953_100000204269 [0,2,0,0,0,0|2,0,0]=4 7428 B12R0.184 COC(=O)CCCCNCC(C)C 34a_100000210953_100000204269 [0,2,0,0,0,0|2,0,0]=4 7429 B12R0.184 COC(=O)CCCCNCC(C)O 2230a_100000210904_100000204269 [0,2,0,0,0,0|2,0,0]=4 7430 B12R0.184 COC(=O)CCCCNCC(C)O 34a_100000210904_100000204269 [0,2,0,0,0,0|2,0,0]=4 7431 B12R0.184 COC(=O)CCCCOCC(C)Br 34a_100012180447_100000204269 [0,2,0,0,0,0|2,0,0]=4 7432 B12R0.184 COC(=O)CCCCOCC(C)C 34a_100000059025_100000210624 [0,2,0,0,0,0|2,0,0]=4 7433 B12R0.184 COC(=O)CCCCOCC(C)C 34a_100000210257_100000204269 [0,2,0,0,0,0|2,0,0]=4 7434 B12R0.184 COC(=O)CCCCOCC(C)C 7a_100000059025_100000210760 [0,2,0,0,0,0|2,0,0]=4 7435 B12R0.184 COC(=O)CCCCOCC(C)F 34a_100015925927_100000204269 [0,2,0,0,0,0|2,0,0]=4 7436 B12R0.184 COC(=O)CCCCOCC(C)O 34a_100000059025_100011218427 [0,2,0,0,0,0|2,0,0]=4 7437 B12R0.184 COC(=O)CCCCOCC(C)O 7a_100000059025_100011218427 [0,2,0,0,0,0|2,0,0]=4 7438 B12R0.184 COC(=O)CCCCOC[C@@H](C)Cl 34a_100016084084_100000204269 [0,2,0,0,0,0|2,0,0]=4 7439 B12R0.184 COC(=O)CCCCOC[C@@H](C)N 34a_100000737577_100000204269 [0,2,0,0,0,0|2,0,0]=4 7440 B12R0.184 COC(=O)CCCCOC[C@@H](C)O 34a_100000059025_100009817552 [0,2,0,0,0,0|2,0,0]=4 7441 B12R0.184 COC(=O)CCCCOC[C@@H](C)O 7a_100000059025_100009817552 [0,2,0,0,0,0|2,0,0]=4 7442 B12R0.184 COC(=O)CCCCSCC(C)C 62a_100000204269_100000210760 [0,2,0,0,0,0|2,0,0]=4 7443 B12R0.184 COC(=O)CCCCSCC(C)C 62a_100000210624_100000204269 [0,2,0,0,0,0|2,0,0]=4 7444 B12R0.184 COC(=O)CCCCSCC(C)O 62a_100000204269_100011218427 [0,2,0,0,0,0|2,0,0]=4 7445 B12R0.184 COC(=O)CCCCSCC(C)O 62a_100011218427_100000204269 [0,2,0,0,0,0|2,0,0]=4 7446 B12R0.184 COC(=O)CCCCSC[C@@H](C)O 62a_100000204269_100009817552 [0,2,0,0,0,0|2,0,0]=4 7447 B12R0.184 COC(=O)CCCCSC[C@@H](C)O 62a_100009817552_100000204269 [0,2,0,0,0,0|2,0,0]=4 7448 B12R0.184 COC(=O)CCCNCCC(C)O 2230a_200000755665_100011218270 [0,2,0,0,0,0|2,0,0]=4 7449 B12R0.184 COC(=O)CCCOCCC(C)Br 34a_100009893172_100000742333 [0,2,0,0,0,0|2,0,0]=4 7450 B12R0.184 COC(=O)CCCOCCC(C)C 34a_100000210254_100000742333 [0,2,0,0,0,0|2,0,0]=4 7451 B12R0.184 COC(=O)CCCOCCC(C)C 7a_100000210254_100011218270 [0,2,0,0,0,0|2,0,0]=4 7452 B12R0.184 COC(=O)CCCOCC[C@@H](C)N 34a_100000706166_100000742333 [0,2,0,0,0,0|2,0,0]=4 7453 B12R0.184 COC(=O)CCCSCCC(C)C 62a_100000210312_100011218270 [0,2,0,0,0,0|2,0,0]=4 7454 B12R0.184 COC(=O)CCCSCCC(C)C 62a_100011218270_100000210312 [0,2,0,0,0,0|2,0,0]=4 7455 B12R0.184 COC(=O)CCCSCCC(C)O 62a_100011218270_100012276601 [0,2,0,0,0,0|2,0,0]=4 7456 B12R0.184 COC(=O)CCCSCCC(C)O 62a_100012276601_100011218270 [0,2,0,0,0,0|2,0,0]=4 7457 B12R0.184 COC(=O)CCNCCCC(C)C 2230a_200000737386_100000204255 [0,2,0,0,0,0|2,0,0]=4 7458 B12R0.184 COC(=O)CCNCCCC(C)C 34a_200000737386_100000742370 [0,2,0,0,0,0|2,0,0]=4 7459 B12R0.184 COC(=O)CCOCCCC(C)C 34a_100000210774_100000742370 [0,2,0,0,0,0|2,0,0]=4 7460 B12R0.184 COC(=O)CCOCCCC(C)C 7a_100000210774_100000204255 [0,2,0,0,0,0|2,0,0]=4 7461 B12R0.184 COC(=O)CCSCCCC(C)C 62a_100000204255_100011214892 [0,2,0,0,0,0|2,0,0]=4 7462 B12R0.184 COC(=O)CCSCCCC(C)C 62a_100011214892_100000204255 [0,2,0,0,0,0|2,0,0]=4 7463 B12R0.184 COC(=O)CCSCCCC(C)O 62a_100000204255_200000718107 [0,2,0,0,0,0|2,0,0]=4 7464 B12R0.184 COC(=O)CCSCCCC(C)O 62a_200000718107_100000204255 [0,2,0,0,0,0|2,0,0]=4 7465 B12R0.184 COC(=O)COCCCCC(C)C 34a_100011214890_100000747449 [0,2,0,0,0,0|2,0,0]=4 7466 B12R0.184 COC(=O)COCCCCC(C)C 7a_100011214890_100000747449 [0,2,0,0,0,0|2,0,0]=4 7467 B12R0.184 COC(=O)CSCCCCC(C)C 62a_100000747449_100011216152 [0,2,0,0,0,0|2,0,0]=4 7468 B12R0.184 COC(=O)CSCCCCC(C)C 62a_100011216152_100000747449 [0,2,0,0,0,0|2,0,0]=4 7469 B12R0.184 O=C(CO)CCCCCCB(O)O 1458a_100000210174_100009817187 [0,2,0,0,0,0|2,0,0]=4 7470 B12R0.248 C#CC(=O)CCCC#CCCCC 1458a_100000211873_200000047210 [0,2,0,0,0,0|2,0,0]=4 7471 B12R0.248 C#CC(=O)CCCCCCCC=C 1458a_100000211873_100012355270 [0,2,0,0,0,0|2,0,0]=4 7472 B12R0.248 C#CC(=O)CCCCCCCCC 1458a_100000211873_100000210670 [0,2,0,0,0,0|2,0,0]=4 7473 B12R0.248 C#CC(=O)CCCCCCCCO 1458a_100000211873_100000033203 [0,2,0,0,0,0|2,0,0]=4 7474 B12R0.248 C#CCCCCCCCC(=O)C#C 1458a_100000211873_100153394163 [0,2,0,0,0,0|2,0,0]=4 7475 B12R0.248 C#CCCCCCCCC(=O)C=C 1458a_100000185746_100153394163 [0,2,0,0,0,0|2,0,0]=4 7476 B12R0.248 C#CCCCCCCCC(=O)CC 1458a_100000087357_100000210202 [0,2,0,0,0,0|2,0,0]=4 7477 B12R0.248 C#CCCCCCCCC(=O)CC 1458a_100000210414_100153394163 [0,2,0,0,0,0|2,0,0]=4 7478 B12R0.248 C#CCCCCCCCC(=O)CF 1458a_100000087357_100015361967 [0,2,0,0,0,0|2,0,0]=4 7479 B12R0.248 C#CCCCCCCCC(=O)CO 1458a_100000210174_100153394163 [0,2,0,0,0,0|1,0,0]=3 7480 B12R0.248 C#CCCCCCCCC(=O)NC 11a_106832991635_100000087357 [0,2,0,0,0,0|1,0,0]=3 7481 B12R0.248 C#CCCCCCCCC(=O)NC 1626a_100102657272_100000087357 [0,2,0,0,0,0|1,0,0]=3 7482 B12R0.248 C#CCCCCCCCC(=O)NC 240690a_100102657272_100000087357 [0,2,0,0,0,0|1,0,0]=3 7483 B12R0.248 C#CCCCCCCCC(=O)NC 527a_100102657272_100000087357 [0,2,0,0,0,0|1,0,0]=3 7484 B12R0.248 C#CCCCCCNCC(=O)NC 2230a_100000693194_100012094781 [0,2,0,0,0,0|1,0,1]=4 7485 B12R0.248 C#CCCCCCOCC(=O)NC 34a_100000750040_100012094781 [0,2,0,0,0,0|1,0,1]=4 7486 B12R0.248 C#CCCCCCOCC(=O)NC 34a_100000766912_100000183359 [0,2,0,0,0,0|1,0,1]=4 7487 B12R0.248 C#CCCCCCOCC(=O)NC 7a_100000766912_100000183359 [0,2,0,0,0,0|1,0,1]=4 7488 B12R0.248 C#CCCCCCSCC(=O)NC 62a_100000183359_100012094781 [0,2,0,0,0,0|1,0,1]=4 7489 B12R0.248 C#CCCCCCSCC(=O)NC 62a_100012094781_100000183359 [0,2,0,0,0,0|1,0,1]=4 7490 B12R0.248 C#CCCCCNCCC(=O)NC 2230a_100000706060_100000737683 [0,2,0,0,0,0|1,0,1]=4 7491 B12R0.248 C#CCCCCNCCC(=O)NC 2230a_100000738227_100010269958 [0,2,0,0,0,0|1,0,1]=4 7492 B12R0.248 C#CCCCCNCCC(=O)NC 34a_100000706060_100012179268 [0,2,0,0,0,0|1,0,1]=4 7493 B12R0.248 C#CCCCCNCCC(=O)NC 34a_100000738227_100010269958 [0,2,0,0,0,0|1,0,1]=4 7494 B12R0.248 C#CCCCCOCCC(=O)NC 34a_100000754576_100010269958 [0,2,0,0,0,0|1,0,1]=4 7495 B12R0.248 C#CCCCCOCCC(=O)NC 34a_100000766709_100012179268 [0,2,0,0,0,0|1,0,1]=4 7496 B12R0.248 C#CCCCCOCCC(=O)NC 7a_100000766709_100000737683 [0,2,0,0,0,0|1,0,1]=4 7497 B12R0.248 C#CCCCCSCCC(=O)NC 62a_100000737683_100010269958 [0,2,0,0,0,0|1,0,1]=4 7498 B12R0.248 C#CCCCCSCCC(=O)NC 62a_100010269958_100000737683 [0,2,0,0,0,0|1,0,1]=4 7499 B12R0.248 C#CCCCNCCCC(=O)NC 2230a_100000740002_100000731252 [0,2,0,0,0,0|1,0,1]=4 7500 B12R0.248 C#CCCCNCCCC(=O)NC 34a_100000718082_100000741757 [0,2,0,0,0,0|1,0,1]=4 7501 B12R0.248 C#CCCCNCCCC(=O)NC 34a_100000740002_100000695029 [0,2,0,0,0,0|1,0,1]=4 7502 B12R0.248 C#CCCCOCCCC(=O)NC 34a_100000215630_100000741757 [0,2,0,0,0,0|1,0,1]=4 7503 B12R0.248 C#CCCCOCCCC(=O)NC 7a_100000215630_100000741757 [0,2,0,0,0,0|1,0,1]=4 7504 B12R0.248 C#CCCCOCCCC(=O)NN 34a_100000211488_100000695029 [0,2,0,0,0,0|1,0,1]=4 7505 B12R0.248 C#CCCCSCCCC(=O)NC 62a_100000741757_100011215417 [0,2,0,0,0,0|1,0,1]=4 7506 B12R0.248 C#CCCCSCCCC(=O)NC 62a_100011215417_100000741757 [0,2,0,0,0,0|1,0,1]=4 7507 B12R0.248 C/C=C/CCOCCCC(=O)NC 34a_100016278192_100000741757 [0,2,0,0,0,0|1,0,1]=4 7508 B12R0.248 C=CC(=O)CCCC#CCCCC 1458a_100000185746_200000047210 [0,2,0,0,0,0|2,0,0]=4 7509 B12R0.248 C=CC(=O)CCCCCCCCC 1458a_100000185746_100000210670 [0,2,0,0,0,0|2,0,0]=4 7510 B12R0.248 C=CC(=O)CCCCCCCCO 1458a_100000185746_100000033203 [0,2,0,0,0,0|2,0,0]=4 7511 B12R0.248 C=CC(=O)NCCCCCCCC 1626a_100000229939_100000185746 [0,2,0,0,0,0|2,0,0]=4 7512 B12R0.248 C=CC(=O)NCCCCCCCC 240690a_100000229939_200121576911 [0,2,0,0,0,0|2,0,0]=4 7513 B12R0.248 C=CC(=O)NCCCCCCCO 240690a_100011996573_200121576911 [0,2,0,0,0,0|2,0,0]=4 7514 B12R0.248 C=CC(=O)NCCCCOCCC 34a_100014118770_100000210303 [0,2,0,0,0,0|2,0,0]=4 7515 B12R0.248 C=CC(=O)NCCCOCCCC 1626a_200000211371_100000185746 [0,2,0,0,0,0|2,0,0]=4 7516 B12R0.248 C=CC(=O)NCCCOCCCC 240690a_200000211371_200121576911 [0,2,0,0,0,0|2,0,0]=4 7517 B12R0.248 C=CC(=O)NCCNCCCCC 2230a_114873766552_100000210326 [0,2,0,0,0,0|2,0,0]=4 7518 B12R0.248 C=CC(=O)NCCOCCCCC 34a_100011304386_100000718602 [0,2,0,0,0,0|2,0,0]=4 7519 B12R0.248 C=CC(=O)OCCCCCCNC 2230a_106832991635_100009894100 [0,2,0,0,0,0|2,0,0]=4 7520 B12R0.248 C=CC(=O)OCCCCCCNC 34a_100102657272_100009894100 [0,2,0,0,0,0|2,0,0]=4 7521 B12R0.248 C=CC(=O)OCCCCCCNC 7a_106832991635_100009894100 [0,2,0,0,0,0|2,0,0]=4 7522 B12R0.248 C=CC(=O)OCCCCCCOC 34a_100138415774_100009894100 [0,2,0,0,0,0|2,0,0]=4 7523 B12R0.248 C=CC(=O)OCCCCCCSC 62a_100009894100_200000210301 [0,2,0,0,0,0|2,0,0]=4 7524 B12R0.248 C=CC(=O)OCCCCCCSC 62a_200000210301_100009894100 [0,2,0,0,0,0|2,0,0]=4 7525 B12R0.248 C=CC(=O)OCCCCCCS[13CH3] 62a_100009894100_200025704644 [0,2,0,0,0,0|2,0,0]=4 7526 B12R0.248 C=CC(=O)OCCCCCCS[13CH3] 62a_200025704644_100009894100 [0,2,0,0,0,0|2,0,0]=4 7527 B12R0.248 C=CC(=O)OCCCCCOCC 7a_200011023508_100000210202 [0,2,0,0,0,0|2,0,0]=4 7528 B12R0.248 C=CC(=O)OCCNCCCCC 2230a_100000209983_100009813456 [0,2,0,0,0,0|2,0,0]=4 7529 B12R0.248 C=CC(=O)OCCOCCCCC 34a_100000210253_100009813456 [0,2,0,0,0,0|2,0,0]=4 7530 B12R0.248 C=CC(=O)OCCOCCCCC 7a_100000210253_100009813456 [0,2,0,0,0,0|2,0,0]=4 7531 B12R0.248 C=CC(=O)OCCSCCCCC 62a_100000210326_100009813456 [0,2,0,0,0,0|2,0,0]=4 7532 B12R0.248 C=CC(=O)OCCSCCCCC 62a_100009813456_100000210326 [0,2,0,0,0,0|2,0,0]=4 7533 B12R0.248 C=CCCCCCCCC(=O)C=C 1458a_100000185746_100012355270 [0,2,0,0,0,0|2,0,0]=4 7534 B12R0.248 C=CCCCCCCCC(=O)CC 1458a_100000210414_100012355270 [0,2,0,0,0,0|2,0,0]=4 7535 B12R0.248 C=CCCCCCCCC(=O)CC 1458a_100011216160_100000210202 [0,2,0,0,0,0|2,0,0]=4 7536 B12R0.248 C=CCCCCCCCC(=O)CF 1458a_100011216160_100015361967 [0,2,0,0,0,0|2,0,0]=4 7537 B12R0.248 C=CCCCCCCCC(=O)CO 1458a_100000210174_100012355270 [0,2,0,0,0,0|1,0,0]=3 7538 B12R0.248 C=CCCCCCCCC(=O)NC 11a_106832991635_100011216160 [0,2,0,0,0,0|1,0,0]=3 7539 B12R0.248 C=CCCCCCCCC(=O)NC 1626a_100102657272_100011216160 [0,2,0,0,0,0|1,0,0]=3 7540 B12R0.248 C=CCCCCCCCC(=O)NC 240690a_100102657272_100011216160 [0,2,0,0,0,0|1,0,0]=3 7541 B12R0.248 C=CCCCCCCCC(=O)NC 527a_100102657272_100011216160 [0,2,0,0,0,0|1,0,0]=3 7542 B12R0.248 C=CCCCCCNCC(=O)NC 2230a_100000693194_100000700193 [0,2,0,0,0,0|1,0,1]=4 7543 B12R0.248 C=CCCCCCOCC(=O)NC 34a_100000750040_100000700193 [0,2,0,0,0,0|1,0,1]=4 7544 B12R0.248 C=CCCCCCOCC(=O)NC 34a_100011216702_100000183359 [0,2,0,0,0,0|1,0,1]=4 7545 B12R0.248 C=CCCCCCOCC(=O)NC 7a_100011216702_100000183359 [0,2,0,0,0,0|1,0,1]=4 7546 B12R0.248 C=CCCCCCSCC(=O)NC 62a_100000183359_100000700193 [0,2,0,0,0,0|1,0,1]=4 7547 B12R0.248 C=CCCCCCSCC(=O)NC 62a_100000700193_100000183359 [0,2,0,0,0,0|1,0,1]=4 7548 B12R0.248 C=CCCCCNCCC(=O)NC 2230a_100000703577_100000737683 [0,2,0,0,0,0|1,0,1]=4 7549 B12R0.248 C=CCCCCNCCC(=O)NC 2230a_100000738227_100011215482 [0,2,0,0,0,0|1,0,1]=4 7550 B12R0.248 C=CCCCCNCCC(=O)NC 34a_100000703577_100012179268 [0,2,0,0,0,0|1,0,1]=4 7551 B12R0.248 C=CCCCCNCCC(=O)NC 34a_100000738227_100011215482 [0,2,0,0,0,0|1,0,1]=4 7552 B12R0.248 C=CCCCCOCCC(=O)NC 34a_100000754576_100011215482 [0,2,0,0,0,0|1,0,1]=4 7553 B12R0.248 C=CCCCCOCCC(=O)NC 34a_100000766645_100012179268 [0,2,0,0,0,0|1,0,1]=4 7554 B12R0.248 C=CCCCCOCCC(=O)NC 7a_100000766645_100000737683 [0,2,0,0,0,0|1,0,1]=4 7555 B12R0.248 C=CCCCCSCCC(=O)NC 62a_100000737683_100011215482 [0,2,0,0,0,0|1,0,1]=4 7556 B12R0.248 C=CCCCCSCCC(=O)NC 62a_100011215482_100000737683 [0,2,0,0,0,0|1,0,1]=4 7557 B12R0.248 C=CCCCNCCCC(=O)NC 2230a_100000700776_100000741757 [0,2,0,0,0,0|1,0,1]=4 7558 B12R0.248 C=CCCCNCCCC(=O)NC 2230a_100000740002_100011713584 [0,2,0,0,0,0|1,0,1]=4 7559 B12R0.248 C=CCCCNCCCC(=O)NC 34a_100000700776_100000741757 [0,2,0,0,0,0|1,0,1]=4 7560 B12R0.248 C=CCCCNCCCC(=O)NC 34a_100000740002_100000757094 [0,2,0,0,0,0|1,0,1]=4 7561 B12R0.248 C=CCCCOCCCC(=O)NC 34a_100000758997_100000741757 [0,2,0,0,0,0|1,0,1]=4 7562 B12R0.248 C=CCCCOCCCC(=O)NC 7a_100000758997_100000741757 [0,2,0,0,0,0|1,0,1]=4 7563 B12R0.248 C=CCCCOCCCC(=O)NN 34a_100000211488_100000757094 [0,2,0,0,0,0|1,0,1]=4 7564 B12R0.248 C=CCCCSCCCC(=O)NC 62a_100000741757_100000757094 [0,2,0,0,0,0|1,0,1]=4 7565 B12R0.248 C=CCCCSCCCC(=O)NC 62a_100011713584_100000741757 [0,2,0,0,0,0|1,0,1]=4 7566 B12R0.248 CC#CCCOCCCC(=O)NC 34a_100000750427_100000741757 [0,2,0,0,0,0|1,0,1]=4 7567 B12R0.248 CC/C=C/CCCOCC(=O)NC 34a_100016287902_100000183359 [0,2,0,0,0,0|1,0,1]=4 7568 B12R0.248 CC/C=C/CCCOCC(=O)NC 7a_100016287902_100000183359 [0,2,0,0,0,0|1,0,1]=4 7569 B12R0.248 CC/C=C\CCNCCC(=O)NC 2230a_100000738227_100015370543 [0,2,0,0,0,0|1,0,1]=4 7570 B12R0.248 CC/C=C\CCNCCC(=O)NC 34a_100000738227_100015370543 [0,2,0,0,0,0|1,0,1]=4 7571 B12R0.248 CC/C=C\CCOCCC(=O)NC 34a_100000754576_100015370543 [0,2,0,0,0,0|1,0,1]=4 7572 B12R0.248 CC/C=C\CCOCCC(=O)NC 34a_100016288707_100012179268 [0,2,0,0,0,0|1,0,1]=4 7573 B12R0.248 CC/C=C\CCOCCC(=O)NC 7a_100016288707_100000737683 [0,2,0,0,0,0|1,0,1]=4 7574 B12R0.248 CC/C=C\CCSCCC(=O)NC 62a_100000737683_100015370543 [0,2,0,0,0,0|1,0,1]=4 7575 B12R0.248 CC/C=C\CCSCCC(=O)NC 62a_100015370543_100000737683 [0,2,0,0,0,0|1,0,1]=4 7576 B12R0.248 CC/C=C\CNCCCC(=O)NC 2230a_100000740002_100103147603 [0,2,0,0,0,0|1,0,1]=4 7577 B12R0.248 CC/C=C\CNCCCC(=O)NC 34a_100000740002_100103147603 [0,2,0,0,0,0|1,0,1]=4 7578 B12R0.248 CC/C=C\COCCCC(=O)NC 34a_100016268518_100000741757 [0,2,0,0,0,0|1,0,1]=4 7579 B12R0.248 CC/C=C\COCCCC(=O)NN 34a_100000211488_100103147603 [0,2,0,0,0,0|1,0,1]=4 7580 B12R0.248 CC/C=C\CSCCCC(=O)NC 62a_100000741757_100103147603 [0,2,0,0,0,0|1,0,1]=4 7581 B12R0.248 CC/C=C\CSCCCC(=O)NC 62a_100103147603_100000741757 [0,2,0,0,0,0|1,0,1]=4 7582 B12R0.248 CC=CCCCOCCC(=O)NC 34a_100020645299_100012179268 [0,2,0,0,0,0|1,0,1]=4 7583 B12R0.248 CCC#CCCOCCC(=O)NC 34a_100000036655_100012179268 [0,2,0,0,0,0|1,0,1]=4 7584 B12R0.248 CCC#CCCOCCC(=O)NC 7a_100000036655_100000737683 [0,2,0,0,0,0|1,0,1]=4 7585 B12R0.248 CCC#CCNCCCC(=O)NC 2230a_100000740002_100009813939 [0,2,0,0,0,0|1,0,1]=4 7586 B12R0.248 CCC#CCNCCCC(=O)NC 34a_100000740002_100009813939 [0,2,0,0,0,0|1,0,1]=4 7587 B12R0.248 CCC#CCOCCCC(=O)NC 34a_100000032950_100000741757 [0,2,0,0,0,0|1,0,1]=4 7588 B12R0.248 CCC#CCOCCCC(=O)NN 34a_100000211488_100009813939 [0,2,0,0,0,0|1,0,1]=4 7589 B12R0.248 CCC#CCSCCCC(=O)NC 62a_100000741757_100009813939 [0,2,0,0,0,0|1,0,1]=4 7590 B12R0.248 CCC#CCSCCCC(=O)NC 62a_100009813939_100000741757 [0,2,0,0,0,0|1,0,1]=4 7591 B12R0.248 CCC(=O)CCCCCCCCO 1458a_100000210414_100000033203 [0,2,0,0,0,0|2,0,0]=4 7592 B12R0.248 CCC(=O)COCCCCCCBr 7a_100011215345_100000747405 [0,2,0,0,0,0|2,0,0]=4 7593 B12R0.248 CCC(=O)COCCCCCCCl 7a_100000766143_100000747405 [0,2,0,0,0,0|2,0,0]=4 7594 B12R0.248 CCC(=O)COCCCCCCF 34a_100000725409_100015922095 [0,2,0,0,0,0|2,0,0]=4 7595 B12R0.248 CCC(=O)COCCCCCCF 7a_100000732779_100000747405 [0,2,0,0,0,0|2,0,0]=4 7596 B12R0.248 CCC(=O)COCCCCCCO 34a_100000725409_100000766143 [0,2,0,0,0,0|2,0,0]=4 7597 B12R0.248 CCC(=O)CSCCCCCCF 62a_100000747405_100015922095 [0,2,0,0,0,0|2,0,0]=4 7598 B12R0.248 CCC(=O)CSCCCCCCF 62a_100015922095_100000747405 [0,2,0,0,0,0|2,0,0]=4 7599 B12R0.248 CCC(=O)CSCCCCCCO 62a_100000747405_100000766143 [0,2,0,0,0,0|2,0,0]=4 7600 B12R0.248 CCC(=O)CSCCCCCCO 62a_100000766143_100000747405 [0,2,0,0,0,0|2,0,0]=4 7601 B12R0.248 CCC(=O)NCCCCCCCO 240690a_100011996573_100000210414 [0,2,0,0,0,0|2,0,0]=4 7602 B12R0.248 CCC/C=C/COCCC(=O)NC 34a_100016278788_100012179268 [0,2,0,0,0,0|1,0,1]=4 7603 B12R0.248 CCC/C=C/COCCC(=O)NC 7a_100016278788_100000737683 [0,2,0,0,0,0|1,0,1]=4 7604 B12R0.248 CCCC#CCCOCC(=O)NC 34a_100000042726_100000183359 [0,2,0,0,0,0|1,0,1]=4 7605 B12R0.248 CCCC#CCCOCC(=O)NC 7a_100000042726_100000183359 [0,2,0,0,0,0|1,0,1]=4 7606 B12R0.248 CCCC#CCOCCC(=O)NC 34a_100000034806_100012179268 [0,2,0,0,0,0|1,0,1]=4 7607 B12R0.248 CCCC#CCOCCC(=O)NC 7a_100000034806_100000737683 [0,2,0,0,0,0|1,0,1]=4 7608 B12R0.248 CCCC/C=C/COCC(=O)NC 34a_200016272032_100000183359 [0,2,0,0,0,0|1,0,1]=4 7609 B12R0.248 CCCC/C=C/COCC(=O)NC 7a_200016272032_100000183359 [0,2,0,0,0,0|1,0,1]=4 7610 B12R0.248 CCCCC#CCCCC(=O)CC 1458a_100000210414_200000047210 [0,2,0,0,0,0|2,0,0]=4 7611 B12R0.248 CCCCC#CCCCC(=O)CO 1458a_100000210174_200000047210 [0,2,0,0,0,0|1,0,0]=3 7612 B12R0.248 CCCCC#CCOCC(=O)NC 34a_200000034558_100000183359 [0,2,0,0,0,0|1,0,1]=4 7613 B12R0.248 CCCCC#CCOCC(=O)NC 7a_200000034558_100000183359 [0,2,0,0,0,0|1,0,1]=4 7614 B12R0.248 CCCCC/C=C/CCC(=O)CC 1458a_200015255902_100000210202 [0,2,0,0,0,0|2,0,0]=4 7615 B12R0.248 CCCCC/C=C/CCC(=O)CF 1458a_200015255902_100015361967 [0,2,0,0,0,0|2,0,0]=4 7616 B12R0.248 CCCCC/C=C/CCC(=O)NC 11a_106832991635_200015255902 [0,2,0,0,0,0|1,0,0]=3 7617 B12R0.248 CCCCC/C=C/CCC(=O)NC 1626a_100102657272_200015255902 [0,2,0,0,0,0|1,0,0]=3 7618 B12R0.248 CCCCC/C=C/CCC(=O)NC 240690a_100102657272_200015255902 [0,2,0,0,0,0|1,0,0]=3 7619 B12R0.248 CCCCC/C=C/CCC(=O)NC 527a_100102657272_200015255902 [0,2,0,0,0,0|1,0,0]=3 7620 B12R0.248 CCCCCC/C=C/CC(=O)CC 1458a_100020681715_100000210202 [0,2,0,0,0,0|2,0,0]=4 7621 B12R0.248 CCCCCC/C=C/CC(=O)CF 1458a_100020681715_100015361967 [0,2,0,0,0,0|2,0,0]=4 7622 B12R0.248 CCCCCC/C=C/CC(=O)NC 11a_106832991635_100020681715 [0,2,0,0,0,0|1,0,0]=3 7623 B12R0.248 CCCCCC/C=C/CC(=O)NC 1626a_100102657272_100020681715 [0,2,0,0,0,0|1,0,0]=3 7624 B12R0.248 CCCCCC/C=C/CC(=O)NC 240690a_100102657272_100020681715 [0,2,0,0,0,0|1,0,0]=3 7625 B12R0.248 CCCCCCCC=CC(=O)CC 1458a_200015332781_100000210202 [0,2,0,0,0,0|2,0,0]=4 7626 B12R0.248 CCCCCCCC=CC(=O)CF 1458a_200015332781_100015361967 [0,2,0,0,0,0|2,0,0]=4 7627 B12R0.248 CCCCCCCC=CC(=O)NC 11a_106832991635_200015332781 [0,2,0,0,0,0|1,0,0]=3 7628 B12R0.248 CCCCCCCC=CC(=O)NC 1626a_100102657272_200015332781 [0,2,0,0,0,0|1,0,0]=3 7629 B12R0.248 CCCCCCCC=CC(=O)NC 240690a_100102657272_200015332781 [0,2,0,0,0,0|1,0,0]=3 7630 B12R0.248 CCCCCCCCCC(=O)CC 1458a_100000210414_100000210670 [0,2,0,0,0,0|2,0,0]=4 7631 B12R0.248 CCCCCCCCCC(=O)CC 1458a_100000210558_100000210202 [0,2,0,0,0,0|2,0,0]=4 7632 B12R0.248 CCCCCCCCCC(=O)CF 1458a_100000210558_100015361967 [0,2,0,0,0,0|2,0,0]=4 7633 B12R0.248 CCCCCCCCCC(=O)CO 1458a_100000210174_100000210670 [0,2,0,0,0,0|1,0,0]=3 7634 B12R0.248 CCCCCCCCCC(=O)NC 11a_106832991635_100000210558 [0,2,0,0,0,0|1,0,0]=3 7635 B12R0.248 CCCCCCCCCC(=O)NC 1626a_100102657272_100000210558 [0,2,0,0,0,0|1,0,0]=3 7636 B12R0.248 CCCCCCCCCC(=O)NC 240690a_100102657272_100000210558 [0,2,0,0,0,0|1,0,0]=3 7637 B12R0.248 CCCCCCCCCC(=O)NC 527a_100102657272_100000210558 [0,2,0,0,0,0|1,0,0]=3 7638 B12R0.248 CCCCCCCCNC(=O)CC 11a_100000229939_100000210414 [0,2,0,0,0,0|2,0,0]=4 7639 B12R0.248 CCCCCCCCNC(=O)CC 1626a_100000229939_100000210414 [0,2,0,0,0,0|2,0,0]=4 7640 B12R0.248 CCCCCCCCNC(=O)CC 240690a_100000229939_100000210414 [0,2,0,0,0,0|2,0,0]=4 7641 B12R0.248 CCCCCCCCNC(=O)CC 527a_100000229939_100000210414 [0,2,0,0,0,0|2,0,0]=4 7642 B12R0.248 CCCCCCCCNC(=O)CO 240690a_100000229939_100000210174 [0,2,0,0,0,0|1,0,0]=3 7643 B12R0.248 CCCCCCCCNC(=O)CO 527a_100000229939_100000210174 [0,2,0,0,0,0|1,0,0]=3 7644 B12R0.248 CCCCCCCCNC(=O)NC 2708a_100000229939_106832991635 [0,2,0,0,0,0|1,0,0]=3 7645 B12R0.248 CCCCCCCCNC(=O)NC 2708a_100102657272_100000229939 [0,2,0,0,0,0|1,0,0]=3 7646 B12R0.248 CCCCCCCCNC(=O)NC 273464a_100000229939_100102657272 [0,2,0,0,0,0|1,0,0]=3 7647 B12R0.248 CCCCCCCCNC(=O)NC 273464a_100102657272_100000229939 [0,2,0,0,0,0|1,0,0]=3 7648 B12R0.248 CCCCCCCCNC(=O)NC 512a_100000229939_100102657272 [0,2,0,0,0,0|1,0,0]=3 7649 B12R0.248 CCCCCCCCNC(=O)NC 512a_106832991638_100000229939 [0,2,0,0,0,0|1,0,0]=3 7650 B12R0.248 CCCCCCCNCC(=O)NC 2230a_100000229938_100000183359 [0,2,0,0,0,0|1,0,0]=3 7651 B12R0.248 CCCCCCCNCC(=O)NC 2230a_100000693194_100000210681 [0,2,0,0,0,0|1,0,0]=3 7652 B12R0.248 CCCCCCCNCC(=O)OC 2230a_100000229938_100000747449 [0,2,0,0,0,0|2,0,0]=4 7653 B12R0.248 CCCCCCCOCC(=O)CC 34a_100000725409_100000210614 [0,2,0,0,0,0|2,0,0]=4 7654 B12R0.248 CCCCCCCOCC(=O)CC 7a_100000210272_100000747405 [0,2,0,0,0,0|2,0,0]=4 7655 B12R0.248 CCCCCCCOCC(=O)NC 34a_100000210272_100000183359 [0,2,0,0,0,0|1,0,0]=3 7656 B12R0.248 CCCCCCCOCC(=O)NC 34a_100000750040_100000210614 [0,2,0,0,0,0|1,0,0]=3 7657 B12R0.248 CCCCCCCOCC(=O)NC 7a_100000210272_100000183359 [0,2,0,0,0,0|1,0,0]=3 7658 B12R0.248 CCCCCCCOCC(=O)OC 34a_100000210272_100000747449 [0,2,0,0,0,0|2,0,0]=4 7659 B12R0.248 CCCCCCCOCC(=O)OC 7a_100000210272_100000747449 [0,2,0,0,0,0|2,0,0]=4 7660 B12R0.248 CCCCCCCSCC(=O)CC 62a_100000210614_100000747405 [0,2,0,0,0,0|2,0,0]=4 7661 B12R0.248 CCCCCCCSCC(=O)CC 62a_100000747405_100000210316 [0,2,0,0,0,0|2,0,0]=4 7662 B12R0.248 CCCCCCCSCC(=O)NC 62a_100000183359_100000210316 [0,2,0,0,0,0|1,0,0]=3 7663 B12R0.248 CCCCCCCSCC(=O)NC 62a_100000210614_100000183359 [0,2,0,0,0,0|1,0,0]=3 7664 B12R0.248 CCCCCCCSCC(=O)OC 62a_100000210614_100000747449 [0,2,0,0,0,0|2,0,0]=4 7665 B12R0.248 CCCCCCCSCC(=O)OC 62a_100000747449_100000210316 [0,2,0,0,0,0|2,0,0]=4 7666 B12R0.248 CCCCCCNCCC(=O)NC 2230a_100000210581_100000737683 [0,2,0,0,0,0|1,0,0]=3 7667 B12R0.248 CCCCCCNCCC(=O)NC 2230a_100000738227_100000210314 [0,2,0,0,0,0|1,0,0]=3 7668 B12R0.248 CCCCCCNCCC(=O)NC 34a_100000738227_100000210314 [0,2,0,0,0,0|1,0,0]=3 7669 B12R0.248 CCCCCCNCCC(=O)OC 2230a_100000210581_100000204255 [0,2,0,0,0,0|2,0,0]=4 7670 B12R0.248 CCCCCCOCCC(=NO)N 34a_100000749954_100000210314 [0,2,0,0,0,0|1,0,1]=4 7671 B12R0.248 CCCCCCOCCC(=O)NC 34a_100000210259_100012179268 [0,2,0,0,0,0|1,0,0]=3 7672 B12R0.248 CCCCCCOCCC(=O)NC 34a_100000754576_100000210314 [0,2,0,0,0,0|1,0,0]=3 7673 B12R0.248 CCCCCCOCCC(=O)NC 7a_100000210259_100000737683 [0,2,0,0,0,0|1,0,0]=3 7674 B12R0.248 CCCCCCOCCC(=O)OC 34a_100000210259_100000742370 [0,2,0,0,0,0|2,0,0]=4 7675 B12R0.248 CCCCCCOCCC(=O)OC 7a_100000210259_100000204255 [0,2,0,0,0,0|2,0,0]=4 7676 B12R0.248 CCCCCCSCCC(=O)NC 62a_100000210314_100000737683 [0,2,0,0,0,0|1,0,0]=3 7677 B12R0.248 CCCCCCSCCC(=O)NC 62a_100000737683_100000210757 [0,2,0,0,0,0|1,0,0]=3 7678 B12R0.248 CCCCCCSCCC(=O)OC 62a_100000204255_100000210757 [0,2,0,0,0,0|2,0,0]=4 7679 B12R0.248 CCCCCCSCCC(=O)OC 62a_100000210314_100000204255 [0,2,0,0,0,0|2,0,0]=4 7680 B12R0.248 CCCCCCSCOC(=O)OC 62a_100000210314_100000139417 [0,2,0,0,0,0|2,0,0]=4 7681 B12R0.248 CCCCCNCCCC(=O)NC 2230a_100000209983_100000741757 [0,2,0,0,0,0|1,0,0]=3 7682 B12R0.248 CCCCCNCCCC(=O)NC 2230a_100000740002_100000210326 [0,2,0,0,0,0|1,0,0]=3 7683 B12R0.248 CCCCCNCCCC(=O)NC 34a_100000740002_100000718602 [0,2,0,0,0,0|1,0,0]=3 7684 B12R0.248 CCCCCNCCCC(=O)OC 2230a_100000209983_100011218270 [0,2,0,0,0,0|2,0,0]=4 7685 B12R0.248 CCCCCNCCNC(=O)CC 34a_100132302217_100000718602 [0,2,0,0,0,0|2,0,0]=4 7686 B12R0.248 CCCCCNCCNC(=O)NC 34a_100015205895_100000718602 [0,2,0,0,0,0|1,0,0]=3 7687 B12R0.248 CCCCCOCCCC(=O)NC 34a_100000210253_100000741757 [0,2,0,0,0,0|1,0,0]=3 7688 B12R0.248 CCCCCOCCCC(=O)NC 7a_100000210253_100000741757 [0,2,0,0,0,0|1,0,0]=3 7689 B12R0.248 CCCCCOCCCC(=O)NN 34a_100000211488_100000718602 [0,2,0,0,0,0|1,0,0]=3 7690 B12R0.248 CCCCCOCCCC(=O)OC 34a_100000210253_100000742333 [0,2,0,0,0,0|2,0,0]=4 7691 B12R0.248 CCCCCOCCCC(=O)OC 7a_100000210253_100011218270 [0,2,0,0,0,0|2,0,0]=4 7692 B12R0.248 CCCCCOCCNC(=O)CC 34a_200000158885_100000718602 [0,2,0,0,0,0|2,0,0]=4 7693 B12R0.248 CCCCCOCCNC(=O)CC 7a_200000158885_100000210326 [0,2,0,0,0,0|2,0,0]=4 7694 B12R0.248 CCCCCOCCNC(=O)OC 34a_100000757965_100000718602 [0,2,0,0,0,0|2,0,0]=4 7695 B12R0.248 CCCCCOCCOC(=O)CC 7a_200000031056_100000210326 [0,2,0,0,0,0|2,0,0]=4 7696 B12R0.248 CCCCCOCCOC(=O)NC 34a_100000210253_200011997002 [0,2,0,0,0,0|1,0,0]=3 7697 B12R0.248 CCCCCOCCOC(=O)NC 7a_100000210253_200011997002 [0,2,0,0,0,0|1,0,0]=3 7698 B12R0.248 CCCCCOCCOC(=O)OC 34a_100010262106_100000718602 [0,2,0,0,0,0|2,0,0]=4 7699 B12R0.248 CCCCCSCCCC(=O)NC 62a_100000210326_100000741757 [0,2,0,0,0,0|1,0,0]=3 7700 B12R0.248 CCCCCSCCCC(=O)NC 62a_100000741757_100000210326 [0,2,0,0,0,0|1,0,0]=3 7701 B12R0.248 CCCCCSCCCC(=O)OC 62a_100000210326_100011218270 [0,2,0,0,0,0|2,0,0]=4 7702 B12R0.248 CCCCCSCCCC(=O)OC 62a_100011218270_100000210326 [0,2,0,0,0,0|2,0,0]=4 7703 B12R0.248 CCCCCSCCOC(=O)NC 62a_100000210326_200011997002 [0,2,0,0,0,0|1,0,0]=3 7704 B12R0.248 CCCCCSCCOC(=O)NC 62a_200011997002_100000210326 [0,2,0,0,0,0|1,0,0]=3 7705 B12R0.248 CCCCNCCCCC(=O)OC 2230a_100000102301_100000204269 [0,2,0,0,0,0|2,0,0]=4 7706 B12R0.248 CCCCNCCCCC(=O)OC 7a_106832991798_100000204269 [0,2,0,0,0,0|2,0,0]=4 7707 B12R0.248 CCCCNCCOCC(=O)OC 2230a_100000102301_100000090808 [0,2,0,0,0,0|2,0,0]=4 7708 B12R0.248 CCCCNCCOCC(=O)OC 7a_106832991798_100000090808 [0,2,0,0,0,0|2,0,0]=4 7709 B12R0.248 CCCCOCCCCC(=O)OC 34a_100000059025_100000210210 [0,2,0,0,0,0|2,0,0]=4 7710 B12R0.248 CCCCOCCCCC(=O)OC 34a_100000210227_100000204269 [0,2,0,0,0,0|2,0,0]=4 7711 B12R0.248 CCCCOCCCCC(=O)OC 7a_100000059025_100000210211 [0,2,0,0,0,0|2,0,0]=4 7712 B12R0.248 CCCCOCCCCC(=O)OC 7a_100000210227_100000204269 [0,2,0,0,0,0|2,0,0]=4 7713 B12R0.248 CCCCOCCCNC(=O)CC 1626a_200000211371_100000210414 [0,2,0,0,0,0|2,0,0]=4 7714 B12R0.248 CCCCOCCCNC(=O)CC 240690a_200000211371_100000210414 [0,2,0,0,0,0|2,0,0]=4 7715 B12R0.248 CCCCOCCCNC(=O)CC 527a_200000211371_100000210414 [0,2,0,0,0,0|2,0,0]=4 7716 B12R0.248 CCCCOCCCNC(=O)CO 240690a_200000211371_100000210174 [0,2,0,0,0,0|1,0,0]=3 7717 B12R0.248 CCCCOCCCNC(=O)CO 527a_200000211371_100000210174 [0,2,0,0,0,0|1,0,0]=3 7718 B12R0.248 CCCCOCCCNC(=O)NC 2708a_100102657272_200000211371 [0,2,0,0,0,0|1,0,0]=3 7719 B12R0.248 CCCCOCCCNC(=O)NC 2708a_200000211371_106832991635 [0,2,0,0,0,0|1,0,0]=3 7720 B12R0.248 CCCCOCCCNC(=O)NC 273464a_100102657272_200000211371 [0,2,0,0,0,0|1,0,0]=3 7721 B12R0.248 CCCCOCCCNC(=O)NC 273464a_200000211371_100102657272 [0,2,0,0,0,0|1,0,0]=3 7722 B12R0.248 CCCCOCCCNC(=O)NC 512a_106832991638_200000211371 [0,2,0,0,0,0|1,0,0]=3 7723 B12R0.248 CCCCOCCCNC(=O)NC 512a_200000211371_100102657272 [0,2,0,0,0,0|1,0,0]=3 7724 B12R0.248 CCCCOCCNCC(=O)NC 2230a_100000693194_100000743108 [0,2,0,0,0,0|1,0,0]=3 7725 B12R0.248 CCCCOCCOCC(=O)CC 1458a_100011216887_100000210202 [0,2,0,0,0,0|2,0,0]=4 7726 B12R0.248 CCCCOCCOCC(=O)CC 34a_100000725409_100000743108 [0,2,0,0,0,0|2,0,0]=4 7727 B12R0.248 CCCCOCCOCC(=O)CC 7a_100000210238_100000747405 [0,2,0,0,0,0|2,0,0]=4 7728 B12R0.248 CCCCOCCOCC(=O)CF 1458a_100011216887_100015361967 [0,2,0,0,0,0|2,0,0]=4 7729 B12R0.248 CCCCOCCOCC(=O)NC 11a_106832991635_100011216887 [0,2,0,0,0,0|1,0,0]=3 7730 B12R0.248 CCCCOCCOCC(=O)NC 1626a_100102657272_100011216887 [0,2,0,0,0,0|1,0,0]=3 7731 B12R0.248 CCCCOCCOCC(=O)NC 240690a_100102657272_100011216887 [0,2,0,0,0,0|1,0,0]=3 7732 B12R0.248 CCCCOCCOCC(=O)NC 34a_100000210238_100000183359 [0,2,0,0,0,0|1,0,0]=3 7733 B12R0.248 CCCCOCCOCC(=O)NC 34a_100000750040_100000743108 [0,2,0,0,0,0|1,0,0]=3 7734 B12R0.248 CCCCOCCOCC(=O)NC 527a_100102657272_100011216887 [0,2,0,0,0,0|1,0,0]=3 7735 B12R0.248 CCCCOCCOCC(=O)NC 7a_100000210238_100000183359 [0,2,0,0,0,0|1,0,0]=3 7736 B12R0.248 CCCCOCCOCC(=O)OC 34a_100000210227_100000090808 [0,2,0,0,0,0|2,0,0]=4 7737 B12R0.248 CCCCOCCOCC(=O)OC 34a_100000210238_100000747449 [0,2,0,0,0,0|2,0,0]=4 7738 B12R0.248 CCCCOCCOCC(=O)OC 7a_100000210227_100000090808 [0,2,0,0,0,0|2,0,0]=4 7739 B12R0.248 CCCCOCCOCC(=O)OC 7a_100000210238_100000747449 [0,2,0,0,0,0|2,0,0]=4 7740 B12R0.248 CCCCOCCSCC(=O)CC 62a_100000743108_100000747405 [0,2,0,0,0,0|2,0,0]=4 7741 B12R0.248 CCCCOCCSCC(=O)CC 62a_100000747405_100000743108 [0,2,0,0,0,0|2,0,0]=4 7742 B12R0.248 CCCCOCCSCC(=O)NC 62a_100000183359_100000743108 [0,2,0,0,0,0|1,0,0]=3 7743 B12R0.248 CCCCOCCSCC(=O)NC 62a_100000743108_100000183359 [0,2,0,0,0,0|1,0,0]=3 7744 B12R0.248 CCCCOCCSCC(=O)OC 62a_100000743108_100000747449 [0,2,0,0,0,0|2,0,0]=4 7745 B12R0.248 CCCCOCCSCC(=O)OC 62a_100000747449_100000743108 [0,2,0,0,0,0|2,0,0]=4 7746 B12R0.248 CCCCOCNCCC(=O)NC 2230a_100000738227_100011995733 [0,2,0,0,0,0|1,0,0]=3 7747 B12R0.248 CCCCOCNCCC(=O)NC 34a_100000738227_100011995733 [0,2,0,0,0,0|1,0,0]=3 7748 B12R0.248 CCCCOCOCCC(=NO)N 34a_100000749954_100011995733 [0,2,0,0,0,0|1,0,1]=4 7749 B12R0.248 CCCCOCOCCC(=O)NC 34a_100000754576_100011995733 [0,2,0,0,0,0|1,0,0]=3 7750 B12R0.248 CCCCOCSCCC(=O)NC 62a_100000737683_100011995733 [0,2,0,0,0,0|1,0,0]=3 7751 B12R0.248 CCCCOCSCCC(=O)NC 62a_100011995733_100000737683 [0,2,0,0,0,0|1,0,0]=3 7752 B12R0.248 CCCCOCSCCC(=O)OC 62a_100000204255_100011995733 [0,2,0,0,0,0|2,0,0]=4 7753 B12R0.248 CCCCOCSCCC(=O)OC 62a_100011995733_100000204255 [0,2,0,0,0,0|2,0,0]=4 7754 B12R0.248 CCCCSCCCCC(=O)OC 62a_100000204269_100000210210 [0,2,0,0,0,0|2,0,0]=4 7755 B12R0.248 CCCCSCCCCC(=O)OC 62a_100000210211_100000204269 [0,2,0,0,0,0|2,0,0]=4 7756 B12R0.248 CCCCSCCNCC(=O)NC 2230a_100025743550_100000183359 [0,2,0,0,0,0|1,0,0]=3 7757 B12R0.248 CCCCSCCNCC(=O)OC 2230a_100025743550_100000747449 [0,2,0,0,0,0|2,0,0]=4 7758 B12R0.248 CCCCSCCOCC(=O)CC 7a_200000230436_100000747405 [0,2,0,0,0,0|2,0,0]=4 7759 B12R0.248 CCCCSCCOCC(=O)NC 34a_200000230436_100000183359 [0,2,0,0,0,0|1,0,0]=3 7760 B12R0.248 CCCCSCCOCC(=O)NC 7a_200000230436_100000183359 [0,2,0,0,0,0|1,0,0]=3 7761 B12R0.248 CCCCSCCOCC(=O)OC 34a_200000230436_100000747449 [0,2,0,0,0,0|2,0,0]=4 7762 B12R0.248 CCCCSCCOCC(=O)OC 62a_100000090808_100000210210 [0,2,0,0,0,0|2,0,0]=4 7763 B12R0.248 CCCCSCCOCC(=O)OC 62a_100000210211_100000090808 [0,2,0,0,0,0|2,0,0]=4 7764 B12R0.248 CCCCSCCOCC(=O)OC 7a_200000230436_100000747449 [0,2,0,0,0,0|2,0,0]=4 7765 B12R0.248 CCCOCCCCCC(=O)OC 34a_100000074720_100000210303 [0,2,0,0,0,0|2,0,0]=4 7766 B12R0.248 CCCOCCCCCC(=O)OC 34a_100000210258_100009816466 [0,2,0,0,0,0|2,0,0]=4 7767 B12R0.248 CCCOCCCCCC(=O)OC 7a_100000074720_100000210303 [0,2,0,0,0,0|2,0,0]=4 7768 B12R0.248 CCCOCCCNCC(=O)NC 2230a_100011217757_100000183359 [0,2,0,0,0,0|1,0,0]=3 7769 B12R0.248 CCCOCCCNCC(=O)NC 34a_100011217757_100000183359 [0,2,0,0,0,0|1,0,0]=3 7770 B12R0.248 CCCOCCCNCC(=O)OC 2230a_100011217757_100000747449 [0,2,0,0,0,0|2,0,0]=4 7771 B12R0.248 CCCOCCCNCC(=O)OC 34a_100011217757_100000747449 [0,2,0,0,0,0|2,0,0]=4 7772 B12R0.248 CCCOCCNCCC(=O)NC 2230a_100000738227_100011215938 [0,2,0,0,0,0|1,0,0]=3 7773 B12R0.248 CCCOCCNCCC(=O)NC 2230a_100161115042_100000737683 [0,2,0,0,0,0|1,0,0]=3 7774 B12R0.248 CCCOCCNCCC(=O)NC 34a_100000738227_100011215938 [0,2,0,0,0,0|1,0,0]=3 7775 B12R0.248 CCCOCCNCCC(=O)NC 34a_100161115042_100012179268 [0,2,0,0,0,0|1,0,0]=3 7776 B12R0.248 CCCOCCNCCC(=O)OC 2230a_100161115042_100000204255 [0,2,0,0,0,0|2,0,0]=4 7777 B12R0.248 CCCOCCNCCC(=O)OC 34a_100161115042_100000742370 [0,2,0,0,0,0|2,0,0]=4 7778 B12R0.248 CCCOCCOCCC(=NO)N 34a_100000749954_100011215938 [0,2,0,0,0,0|1,0,1]=4 7779 B12R0.248 CCCOCCOCCC(=O)NC 34a_100000752267_100012179268 [0,2,0,0,0,0|1,0,0]=3 7780 B12R0.248 CCCOCCOCCC(=O)NC 34a_100000754576_100011215938 [0,2,0,0,0,0|1,0,0]=3 7781 B12R0.248 CCCOCCOCCC(=O)NC 7a_100000752267_100000737683 [0,2,0,0,0,0|1,0,0]=3 7782 B12R0.248 CCCOCCOCCC(=O)OC 34a_100000752267_100000742370 [0,2,0,0,0,0|2,0,0]=4 7783 B12R0.248 CCCOCCOCCC(=O)OC 7a_100000752267_100000204255 [0,2,0,0,0,0|2,0,0]=4 7784 B12R0.248 CCCOCCSCCC(=O)NC 62a_100000737683_100011215938 [0,2,0,0,0,0|1,0,0]=3 7785 B12R0.248 CCCOCCSCCC(=O)NC 62a_100011215938_100000737683 [0,2,0,0,0,0|1,0,0]=3 7786 B12R0.248 CCCOCCSCCC(=O)OC 62a_100000204255_100011215938 [0,2,0,0,0,0|2,0,0]=4 7787 B12R0.248 CCCOCCSCCC(=O)OC 62a_100011215938_100000204255 [0,2,0,0,0,0|2,0,0]=4 7788 B12R0.248 CCCSCCCCCC(=O)OC 62a_100000210303_100009816466 [0,2,0,0,0,0|2,0,0]=4 7789 B12R0.248 CCCSCCCCCC(=O)OC 62a_100009816466_100000210303 [0,2,0,0,0,0|2,0,0]=4 7790 B12R0.248 CCCSCCNCCC(=O)NC 2230a_100020603323_100000737683 [0,2,0,0,0,0|1,0,0]=3 7791 B12R0.248 CCCSCCNCCC(=O)OC 2230a_100020603323_100000204255 [0,2,0,0,0,0|2,0,0]=4 7792 B12R0.248 CCCSCCOCCC(=O)NC 34a_200000230433_100012179268 [0,2,0,0,0,0|1,0,0]=3 7793 B12R0.248 CCCSCCOCCC(=O)NC 7a_200000230433_100000737683 [0,2,0,0,0,0|1,0,0]=3 7794 B12R0.248 CCCSCCOCCC(=O)OC 34a_200000230433_100000742370 [0,2,0,0,0,0|2,0,0]=4 7795 B12R0.248 CCCSCCOCCC(=O)OC 7a_200000230433_100000204255 [0,2,0,0,0,0|2,0,0]=4 7796 B12R0.248 CCNCCCCCCC(=O)OC 2230a_100015525214_100009815986 [0,2,0,0,0,0|2,0,0]=4 7797 B12R0.248 CCOCCCCCCC(=O)OC 34a_100009863599_100000210202 [0,2,0,0,0,0|2,0,0]=4 7798 B12R0.248 CCOCCCCCCC(=O)OC 34a_100121572206_100009815986 [0,2,0,0,0,0|2,0,0]=4 7799 B12R0.248 CCOCCCCCCC(=O)OC 7a_100009863599_100000210202 [0,2,0,0,0,0|2,0,0]=4 7800 B12R0.248 CCOCCCNCCC(=O)NC 2230a_100000210961_100000737683 [0,2,0,0,0,0|1,0,0]=3 7801 B12R0.248 CCOCCCNCCC(=O)NC 2230a_100000738227_100012232248 [0,2,0,0,0,0|1,0,0]=3 7802 B12R0.248 CCOCCCNCCC(=O)NC 34a_100000210961_100012179268 [0,2,0,0,0,0|1,0,0]=3 7803 B12R0.248 CCOCCCNCCC(=O)NC 34a_100000738227_100012232248 [0,2,0,0,0,0|1,0,0]=3 7804 B12R0.248 CCOCCCNCCC(=O)OC 2230a_100000210961_100000204255 [0,2,0,0,0,0|2,0,0]=4 7805 B12R0.248 CCOCCCNCCC(=O)OC 34a_100000210961_100000742370 [0,2,0,0,0,0|2,0,0]=4 7806 B12R0.248 CCOCCCOCCC(=NO)N 34a_100000749954_100012232248 [0,2,0,0,0,0|1,0,1]=4 7807 B12R0.248 CCOCCCOCCC(=O)NC 34a_100000754576_100012232248 [0,2,0,0,0,0|1,0,0]=3 7808 B12R0.248 CCOCCCOCCC(=O)NC 34a_100000757476_100012179268 [0,2,0,0,0,0|1,0,0]=3 7809 B12R0.248 CCOCCCOCCC(=O)NC 7a_100000757476_100000737683 [0,2,0,0,0,0|1,0,0]=3 7810 B12R0.248 CCOCCCOCCC(=O)OC 34a_100000757476_100000742370 [0,2,0,0,0,0|2,0,0]=4 7811 B12R0.248 CCOCCCOCCC(=O)OC 7a_100000757476_100000204255 [0,2,0,0,0,0|2,0,0]=4 7812 B12R0.248 CCOCCCSCCC(=O)NC 62a_100000737683_100012232248 [0,2,0,0,0,0|1,0,0]=3 7813 B12R0.248 CCOCCCSCCC(=O)NC 62a_100012232248_100000737683 [0,2,0,0,0,0|1,0,0]=3 7814 B12R0.248 CCOCCCSCCC(=O)OC 62a_100000204255_100012232248 [0,2,0,0,0,0|2,0,0]=4 7815 B12R0.248 CCOCCCSCCC(=O)OC 62a_100012232248_100000204255 [0,2,0,0,0,0|2,0,0]=4 7816 B12R0.248 CCOCCNCCCC(=O)NC 2230a_100000740002_100011215890 [0,2,0,0,0,0|1,0,0]=3 7817 B12R0.248 CCOCCNCCCC(=O)NC 2230a_102516460346_100000741757 [0,2,0,0,0,0|1,0,0]=3 7818 B12R0.248 CCOCCNCCCC(=O)NC 34a_100000740002_100000210147 [0,2,0,0,0,0|1,0,0]=3 7819 B12R0.248 CCOCCNCCCC(=O)NC 34a_102516460346_100000741757 [0,2,0,0,0,0|1,0,0]=3 7820 B12R0.248 CCOCCNCCCC(=O)OC 2230a_102516460346_100011218270 [0,2,0,0,0,0|2,0,0]=4 7821 B12R0.248 CCOCCNCCCC(=O)OC 34a_102516460346_100000742333 [0,2,0,0,0,0|2,0,0]=4 7822 B12R0.248 CCOCCNCCNC(=O)NC 34a_100015205895_100000210147 [0,2,0,0,0,0|2,0,0]=4 7823 B12R0.248 CCOCCNCCOC(=O)NC 34a_102516460346_200011997002 [0,2,0,0,0,0|2,0,0]=4 7824 B12R0.248 CCOCCOCCCC(=O)NC 34a_100000210136_100000741757 [0,2,0,0,0,0|1,0,0]=3 7825 B12R0.248 CCOCCOCCCC(=O)NC 7a_100000210136_100000741757 [0,2,0,0,0,0|1,0,0]=3 7826 B12R0.248 CCOCCOCCCC(=O)NN 34a_100000211488_100000210147 [0,2,0,0,0,0|1,0,0]=3 7827 B12R0.248 CCOCCOCCCC(=O)OC 34a_100000210136_100000742333 [0,2,0,0,0,0|2,0,0]=4 7828 B12R0.248 CCOCCOCCCC(=O)OC 7a_100000210136_100011218270 [0,2,0,0,0,0|2,0,0]=4 7829 B12R0.248 CCOCCOCCNC(=O)CO 240690a_100102712874_100000210174 [0,2,0,0,0,0|2,0,0]=4 7830 B12R0.248 CCOCCOCCNC(=O)CO 527a_100102712874_100000210174 [0,2,0,0,0,0|2,0,0]=4 7831 B12R0.248 CCOCCOCCNC(=O)NC 2708a_100102657272_100102712874 [0,2,0,0,0,0|2,0,0]=4 7832 B12R0.248 CCOCCOCCNC(=O)NC 2708a_100102712874_106832991635 [0,2,0,0,0,0|2,0,0]=4 7833 B12R0.248 CCOCCOCCNC(=O)NC 273464a_100102657272_100102712874 [0,2,0,0,0,0|2,0,0]=4 7834 B12R0.248 CCOCCOCCNC(=O)NC 273464a_100102712874_100102657272 [0,2,0,0,0,0|2,0,0]=4 7835 B12R0.248 CCOCCOCCNC(=O)NC 512a_100102712874_100102657272 [0,2,0,0,0,0|2,0,0]=4 7836 B12R0.248 CCOCCOCCOC(=O)NC 34a_100000210136_200011997002 [0,2,0,0,0,0|2,0,0]=4 7837 B12R0.248 CCOCCOCCOC(=O)NC 7a_100000210136_200011997002 [0,2,0,0,0,0|2,0,0]=4 7838 B12R0.248 CCOCCSCCCC(=O)NC 62a_100000210147_100000741757 [0,2,0,0,0,0|1,0,0]=3 7839 B12R0.248 CCOCCSCCCC(=O)NC 62a_100000741757_100011215890 [0,2,0,0,0,0|1,0,0]=3 7840 B12R0.248 CCOCCSCCCC(=O)OC 62a_100000210147_100011218270 [0,2,0,0,0,0|2,0,0]=4 7841 B12R0.248 CCOCCSCCCC(=O)OC 62a_100011218270_100011215890 [0,2,0,0,0,0|2,0,0]=4 7842 B12R0.248 CCOCCSCCOC(=O)NC 62a_100000210147_200011997002 [0,2,0,0,0,0|2,0,0]=4 7843 B12R0.248 CCOCCSCCOC(=O)NC 62a_200011997002_100011215890 [0,2,0,0,0,0|2,0,0]=4 7844 B12R0.248 CCOCSCCCCC(=O)OC 62a_100000204269_100000739092 [0,2,0,0,0,0|2,0,0]=4 7845 B12R0.248 CCOCSCCCCC(=O)OC 62a_100000739092_100000204269 [0,2,0,0,0,0|2,0,0]=4 7846 B12R0.248 CCSCCCCCCC(=O)OC 62a_100000210202_100009815986 [0,2,0,0,0,0|2,0,0]=4 7847 B12R0.248 CCSCCCCCCC(=O)OC 62a_100009815986_100000210202 [0,2,0,0,0,0|2,0,0]=4 7848 B12R0.248 CCSCCCOCCC(=O)NC 34a_100011216438_100012179268 [0,2,0,0,0,0|1,0,0]=3 7849 B12R0.248 CCSCCCOCCC(=O)NC 7a_100011216438_100000737683 [0,2,0,0,0,0|1,0,0]=3 7850 B12R0.248 CCSCCCOCCC(=O)OC 34a_100011216438_100000742370 [0,2,0,0,0,0|2,0,0]=4 7851 B12R0.248 CCSCCCOCCC(=O)OC 7a_100011216438_100000204255 [0,2,0,0,0,0|2,0,0]=4 7852 B12R0.248 CCSCCNCCCC(=O)NC 2230a_100000106463_100000741757 [0,2,0,0,0,0|1,0,0]=3 7853 B12R0.248 CCSCCNCCCC(=O)NC 2230a_100000740002_100000757381 [0,2,0,0,0,0|1,0,0]=3 7854 B12R0.248 CCSCCNCCCC(=O)NC 34a_100000740002_100000757381 [0,2,0,0,0,0|1,0,0]=3 7855 B12R0.248 CCSCCNCCCC(=O)OC 2230a_100000106463_100011218270 [0,2,0,0,0,0|2,0,0]=4 7856 B12R0.248 CCSCCNCCNC(=O)NC 34a_100015205895_100000757381 [0,2,0,0,0,0|2,0,0]=4 7857 B12R0.248 CCSCCOCCCC(=O)NC 34a_100000212035_100000741757 [0,2,0,0,0,0|1,0,0]=3 7858 B12R0.248 CCSCCOCCCC(=O)NC 7a_100000212035_100000741757 [0,2,0,0,0,0|1,0,0]=3 7859 B12R0.248 CCSCCOCCCC(=O)NN 34a_100000211488_100000757381 [0,2,0,0,0,0|1,0,0]=3 7860 B12R0.248 CCSCCOCCCC(=O)OC 34a_100000212035_100000742333 [0,2,0,0,0,0|2,0,0]=4 7861 B12R0.248 CCSCCOCCCC(=O)OC 7a_100000212035_100011218270 [0,2,0,0,0,0|2,0,0]=4 7862 B12R0.248 CCSCCOCCOC(=O)NC 34a_100000212035_200011997002 [0,2,0,0,0,0|2,0,0]=4 7863 B12R0.248 CCSCCOCCOC(=O)NC 7a_100000212035_200011997002 [0,2,0,0,0,0|2,0,0]=4 7864 B12R0.248 CCSCCSCCCC(=O)NC 62a_100000741757_100000757381 [0,2,0,0,0,0|1,0,0]=3 7865 B12R0.248 CCSCCSCCCC(=O)NC 62a_100000757381_100000741757 [0,2,0,0,0,0|1,0,0]=3 7866 B12R0.248 CCSCCSCCCC(=O)OC 62a_100000757381_100011218270 [0,2,0,0,0,0|2,0,0]=4 7867 B12R0.248 CCSCCSCCCC(=O)OC 62a_100011218270_100000757381 [0,2,0,0,0,0|2,0,0]=4 7868 B12R0.248 CCSCCSCCOC(=O)NC 62a_100000757381_200011997002 [0,2,0,0,0,0|2,0,0]=4 7869 B12R0.248 CCSCCSCCOC(=O)NC 62a_200011997002_100000757381 [0,2,0,0,0,0|2,0,0]=4 7870 B12R0.248 CNC(=O)CCCCCCCCO 240690a_100102657272_100000015970 [0,2,0,0,0,0|1,0,0]=3 7871 B12R0.248 CNC(=O)CCCNCCCC#N 2230a_100000740002_100000687738 [0,2,0,0,0,0|1,0,1]=4 7872 B12R0.248 CNC(=O)CCCNCCCC=O 2230a_100000740002_200011292268 [0,2,0,0,0,0|1,0,1]=4 7873 B12R0.248 CNC(=O)CCCNCCCCF 2230a_100000740002_100000729493 [0,2,0,0,0,0|1,0,0]=3 7874 B12R0.248 CNC(=O)CCCNCCCCF 34a_100000740002_100000729493 [0,2,0,0,0,0|1,0,0]=3 7875 B12R0.248 CNC(=O)CCCNCCCCO 2230a_100000740002_100000210776 [0,2,0,0,0,0|1,0,0]=3 7876 B12R0.248 CNC(=O)CCCNCCCCO 2230a_100000750430_100000741757 [0,2,0,0,0,0|1,0,0]=3 7877 B12R0.248 CNC(=O)CCCNCCCCO 34a_100000740002_100011216708 [0,2,0,0,0,0|1,0,0]=3 7878 B12R0.248 CNC(=O)CCCNCCCCO 34a_100000750430_100000741757 [0,2,0,0,0,0|1,0,0]=3 7879 B12R0.248 CNC(=O)CCCNCCCOC 2230a_100000740002_100000740836 [0,2,0,0,0,0|1,0,0]=3 7880 B12R0.248 CNC(=O)CCCNCCCOC 34a_100000740002_100000740836 [0,2,0,0,0,0|1,0,0]=3 7881 B12R0.248 CNC(=O)CCCNCCCOC 34a_100150723488_100000741757 [0,2,0,0,0,0|1,0,0]=3 7882 B12R0.248 CNC(=O)CCCNCCCSC 2230a_100000749238_100000741757 [0,2,0,0,0,0|1,0,0]=3 7883 B12R0.248 CNC(=O)CCCOCCCCBr 34a_100011216708_100000741757 [0,2,0,0,0,0|1,0,0]=3 7884 B12R0.248 CNC(=O)CCCOCCCCCl 34a_100000210776_100000741757 [0,2,0,0,0,0|1,0,0]=3 7885 B12R0.248 CNC(=O)CCCOCCCCCl 7a_100000210776_100000741757 [0,2,0,0,0,0|1,0,0]=3 7886 B12R0.248 CNC(=O)CCCOCCCCF 34a_100011995726_100000741757 [0,2,0,0,0,0|1,0,0]=3 7887 B12R0.248 CNC(=O)CCCOCCCCF 7a_100011995726_100000741757 [0,2,0,0,0,0|1,0,0]=3 7888 B12R0.248 CNC(=O)CCCOCCCCI 34a_200012148704_100000741757 [0,2,0,0,0,0|1,0,0]=3 7889 B12R0.248 CNC(=O)CCCOCCCCN 34a_100000750430_100000741757 [0,2,0,0,0,0|1,0,0]=3 7890 B12R0.248 CNC(=O)CCCOCCCOC 34a_100000740835_100000741757 [0,2,0,0,0,0|1,0,0]=3 7891 B12R0.248 CNC(=O)CCCOCCCSC 34a_100000690336_100000741757 [0,2,0,0,0,0|1,0,0]=3 7892 B12R0.248 CNC(=O)CCCOCCCSC 7a_100000690336_100000741757 [0,2,0,0,0,0|1,0,0]=3 7893 B12R0.248 CNC(=O)CCCSCCCC#N 62a_100000687738_100000741757 [0,2,0,0,0,0|1,0,1]=4 7894 B12R0.248 CNC(=O)CCCSCCCC#N 62a_100000741757_100000687738 [0,2,0,0,0,0|1,0,1]=4 7895 B12R0.248 CNC(=O)CCCSCCCC=O 62a_100000741757_200011292268 [0,2,0,0,0,0|1,0,1]=4 7896 B12R0.248 CNC(=O)CCCSCCCC=O 62a_200011292268_100000741757 [0,2,0,0,0,0|1,0,1]=4 7897 B12R0.248 CNC(=O)CCCSCCCCF 62a_100000729493_100000741757 [0,2,0,0,0,0|1,0,0]=3 7898 B12R0.248 CNC(=O)CCCSCCCCF 62a_100000741757_100000729493 [0,2,0,0,0,0|1,0,0]=3 7899 B12R0.248 CNC(=O)CCCSCCCCO 62a_100000210776_100000741757 [0,2,0,0,0,0|1,0,0]=3 7900 B12R0.248 CNC(=O)CCCSCCCCO 62a_100000741757_100000210776 [0,2,0,0,0,0|1,0,0]=3 7901 B12R0.248 CNC(=O)CCCSCCCOC 62a_100000709357_100000741757 [0,2,0,0,0,0|1,0,0]=3 7902 B12R0.248 CNC(=O)CCCSCCCOC 62a_100000741757_100000709357 [0,2,0,0,0,0|1,0,0]=3 7903 B12R0.248 CNC(=O)CCNCCCCC#N 2230a_100000738227_100000211819 [0,2,0,0,0,0|1,0,1]=4 7904 B12R0.248 CNC(=O)CCNCCCCC=O 2230a_100000738227_100000139335 [0,2,0,0,0,0|1,0,1]=4 7905 B12R0.248 CNC(=O)CCNCCCCCF 2230a_100000738227_100000729378 [0,2,0,0,0,0|1,0,0]=3 7906 B12R0.248 CNC(=O)CCNCCCCCF 34a_100000738227_100000729378 [0,2,0,0,0,0|1,0,0]=3 7907 B12R0.248 CNC(=O)CCNCCCCCO 2230a_100000738227_100000746330 [0,2,0,0,0,0|1,0,0]=3 7908 B12R0.248 CNC(=O)CCNCCCCCO 2230a_100000762737_100000737683 [0,2,0,0,0,0|1,0,0]=3 7909 B12R0.248 CNC(=O)CCNCCCCCO 34a_100000738227_100000746330 [0,2,0,0,0,0|1,0,0]=3 7910 B12R0.248 CNC(=O)CCNCCCCCO 34a_100000762737_100012179268 [0,2,0,0,0,0|1,0,0]=3 7911 B12R0.248 CNC(=O)CCNCCCCOC 2230a_100000738227_100000730899 [0,2,0,0,0,0|1,0,0]=3 7912 B12R0.248 CNC(=O)CCNCCCCOC 34a_100000738227_100000755781 [0,2,0,0,0,0|1,0,0]=3 7913 B12R0.248 CNC(=O)CCNCCOCCO 2230a_100000211614_100000737683 [0,2,0,0,0,0|2,0,0]=4 7914 B12R0.248 CNC(=O)CCNCCOCCO 2230a_100000738227_100011215305 [0,2,0,0,0,0|2,0,0]=4 7915 B12R0.248 CNC(=O)CCNCCOCCO 34a_100000211614_100012179268 [0,2,0,0,0,0|2,0,0]=4 7916 B12R0.248 CNC(=O)CCNCCOCCO 34a_100000738227_100000692535 [0,2,0,0,0,0|2,0,0]=4 7917 B12R0.248 CNC(=O)CCNCCSCCO 2230a_100011219999_100000737683 [0,2,0,0,0,0|2,0,0]=4 7918 B12R0.248 CNC(=O)CCNCOCCOC 2230a_100000738227_100000231047 [0,2,0,0,0,0|2,0,0]=4 7919 B12R0.248 CNC(=O)CCOCCCCCBr 34a_100000746331_100012179268 [0,2,0,0,0,0|1,0,0]=3 7920 B12R0.248 CNC(=O)CCOCCCCCBr 7a_100000746331_100000737683 [0,2,0,0,0,0|1,0,0]=3 7921 B12R0.248 CNC(=O)CCOCCCCCCl 34a_100000746330_100012179268 [0,2,0,0,0,0|1,0,0]=3 7922 B12R0.248 CNC(=O)CCOCCCCCCl 7a_100000746330_100000737683 [0,2,0,0,0,0|1,0,0]=3 7923 B12R0.248 CNC(=O)CCOCCCCCF 34a_100000754576_100000729378 [0,2,0,0,0,0|1,0,0]=3 7924 B12R0.248 CNC(=O)CCOCCCCCI 34a_200012148887_100012179268 [0,2,0,0,0,0|1,0,0]=3 7925 B12R0.248 CNC(=O)CCOCCCCCI 7a_200012148887_100000737683 [0,2,0,0,0,0|1,0,0]=3 7926 B12R0.248 CNC(=O)CCOCCCCCN 34a_100000762737_100012179268 [0,2,0,0,0,0|1,0,0]=3 7927 B12R0.248 CNC(=O)CCOCCCCCO 34a_100000754576_100000746330 [0,2,0,0,0,0|1,0,0]=3 7928 B12R0.248 CNC(=O)CCOCCCCOC 34a_100000740925_100012179268 [0,2,0,0,0,0|1,0,0]=3 7929 B12R0.248 CNC(=O)CCOCCCCOC 34a_100000754576_100000755781 [0,2,0,0,0,0|1,0,0]=3 7930 B12R0.248 CNC(=O)CCOCCCCSC 34a_100011217163_100012179268 [0,2,0,0,0,0|1,0,0]=3 7931 B12R0.248 CNC(=O)CCOCCCCSC 7a_100011217163_100000737683 [0,2,0,0,0,0|1,0,0]=3 7932 B12R0.248 CNC(=O)CCOCCOCCBr 34a_100000692535_100012179268 [0,2,0,0,0,0|2,0,0]=4 7933 B12R0.248 CNC(=O)CCOCCOCCBr 7a_100000692535_100000737683 [0,2,0,0,0,0|2,0,0]=4 7934 B12R0.248 CNC(=O)CCOCCOCCCl 34a_100011215305_100012179268 [0,2,0,0,0,0|2,0,0]=4 7935 B12R0.248 CNC(=O)CCOCCOCCCl 7a_100011215305_100000737683 [0,2,0,0,0,0|2,0,0]=4 7936 B12R0.248 CNC(=O)CCOCCOCCF 34a_200015357709_100012179268 [0,2,0,0,0,0|2,0,0]=4 7937 B12R0.248 CNC(=O)CCOCCOCCF 7a_200015357709_100000737683 [0,2,0,0,0,0|2,0,0]=4 7938 B12R0.248 CNC(=O)CCOCCOCCI 34a_100012149058_100012179268 [0,2,0,0,0,0|2,0,0]=4 7939 B12R0.248 CNC(=O)CCOCCOCCI 7a_100012149058_100000737683 [0,2,0,0,0,0|2,0,0]=4 7940 B12R0.248 CNC(=O)CCOCCOCCN 34a_100000211614_100012179268 [0,2,0,0,0,0|2,0,0]=4 7941 B12R0.248 CNC(=O)CCOCCOCCO 1626a_100102657272_100009915118 [0,2,0,0,0,0|2,0,0]=4 7942 B12R0.248 CNC(=O)CCOCCOCCO 240690a_100102657272_100009915118 [0,2,0,0,0,0|2,0,0]=4 7943 B12R0.248 CNC(=O)CCOCCOCCO 34a_100000754576_100000692535 [0,2,0,0,0,0|2,0,0]=4 7944 B12R0.248 CNC(=O)CCSCCCCC#N 62a_100000737683_100000211819 [0,2,0,0,0,0|1,0,1]=4 7945 B12R0.248 CNC(=O)CCSCCCCC#N 62a_100011219923_100000737683 [0,2,0,0,0,0|1,0,1]=4 7946 B12R0.248 CNC(=O)CCSCCCCC=O 62a_100000139335_100000737683 [0,2,0,0,0,0|1,0,1]=4 7947 B12R0.248 CNC(=O)CCSCCCCC=O 62a_100000737683_100000139335 [0,2,0,0,0,0|1,0,1]=4 7948 B12R0.248 CNC(=O)CCSCCCCCF 62a_100000729378_100000737683 [0,2,0,0,0,0|1,0,0]=3 7949 B12R0.248 CNC(=O)CCSCCCCCF 62a_100000737683_100000729378 [0,2,0,0,0,0|1,0,0]=3 7950 B12R0.248 CNC(=O)CCSCCCCCO 62a_100000737683_100000746330 [0,2,0,0,0,0|1,0,0]=3 7951 B12R0.248 CNC(=O)CCSCCCCCO 62a_100000746330_100000737683 [0,2,0,0,0,0|1,0,0]=3 7952 B12R0.248 CNC(=O)CCSCCCCOC 62a_100000730899_100000737683 [0,2,0,0,0,0|1,0,0]=3 7953 B12R0.248 CNC(=O)CCSCCCCOC 62a_100000737683_100000730899 [0,2,0,0,0,0|1,0,0]=3 7954 B12R0.248 CNC(=O)CCSCCOCCO 62a_100000737683_100011215305 [0,2,0,0,0,0|2,0,0]=4 7955 B12R0.248 CNC(=O)CCSCCOCCO 62a_100011215305_100000737683 [0,2,0,0,0,0|2,0,0]=4 7956 B12R0.248 CNC(=O)CCSCOCCOC 62a_100000231047_100000737683 [0,2,0,0,0,0|2,0,0]=4 7957 B12R0.248 CNC(=O)CCSCOCCOC 62a_100000737683_100000231047 [0,2,0,0,0,0|2,0,0]=4 7958 B12R0.248 CNC(=O)CNCCCCCC#N 2230a_100000693194_100009813376 [0,2,0,0,0,0|1,0,1]=4 7959 B12R0.248 CNC(=O)CNCCCCCC=O 2230a_100000693194_100000139337 [0,2,0,0,0,0|1,0,1]=4 7960 B12R0.248 CNC(=O)CNCCCCCCF 2230a_100000693194_100015922095 [0,2,0,0,0,0|1,0,0]=3 7961 B12R0.248 CNC(=O)CNCCCCCCO 2230a_100000686447_100000183359 [0,2,0,0,0,0|1,0,0]=3 7962 B12R0.248 CNC(=O)CNCCCCCCO 2230a_100000693194_100000766143 [0,2,0,0,0,0|1,0,0]=3 7963 B12R0.248 CNC(=O)CNCCCCCCO 34a_100000686447_100000183359 [0,2,0,0,0,0|1,0,0]=3 7964 B12R0.248 CNC(=O)CNCCCCCOC 2230a_100000747528_100000183359 [0,2,0,0,0,0|1,0,0]=3 7965 B12R0.248 CNC(=O)CNCCCCCOC 34a_100000747528_100000183359 [0,2,0,0,0,0|1,0,0]=3 7966 B12R0.248 CNC(=O)CNCCOCCOC 2230a_100000693194_100000695917 [0,2,0,0,0,0|2,0,0]=4 7967 B12R0.248 CNC(=O)CNCCOCCOC 2230a_100000745349_100000183359 [0,2,0,0,0,0|2,0,0]=4 7968 B12R0.248 CNC(=O)CNCCOCCOC 34a_100000745349_100000183359 [0,2,0,0,0,0|2,0,0]=4 7969 B12R0.248 CNC(=O)COCCCCCCBr 34a_100011215345_100000183359 [0,2,0,0,0,0|1,0,0]=3 7970 B12R0.248 CNC(=O)COCCCCCCBr 7a_100011215345_100000183359 [0,2,0,0,0,0|1,0,0]=3 7971 B12R0.248 CNC(=O)COCCCCCCCl 34a_100000766143_100000183359 [0,2,0,0,0,0|1,0,0]=3 7972 B12R0.248 CNC(=O)COCCCCCCCl 7a_100000766143_100000183359 [0,2,0,0,0,0|1,0,0]=3 7973 B12R0.248 CNC(=O)COCCCCCCF 34a_100000732779_100000183359 [0,2,0,0,0,0|1,0,0]=3 7974 B12R0.248 CNC(=O)COCCCCCCF 34a_100000750040_100015922095 [0,2,0,0,0,0|1,0,0]=3 7975 B12R0.248 CNC(=O)COCCCCCCF 7a_100000732779_100000183359 [0,2,0,0,0,0|1,0,0]=3 7976 B12R0.248 CNC(=O)COCCCCCCN 34a_100000686447_100000183359 [0,2,0,0,0,0|1,0,0]=3 7977 B12R0.248 CNC(=O)COCCCCCCO 34a_100000750040_100000766143 [0,2,0,0,0,0|1,0,0]=3 7978 B12R0.248 CNC(=O)COCCOCCOC 11a_106832991635_100011214951 [0,2,0,0,0,0|2,0,0]=4 7979 B12R0.248 CNC(=O)COCCOCCOC 1626a_100102657272_100011214951 [0,2,0,0,0,0|2,0,0]=4 7980 B12R0.248 CNC(=O)COCCOCCOC 240690a_100102657272_100011214951 [0,2,0,0,0,0|2,0,0]=4 7981 B12R0.248 CNC(=O)COCCOCCOC 34a_100000750040_100000695917 [0,2,0,0,0,0|2,0,0]=4 7982 B12R0.248 CNC(=O)COCCOCCOC 34a_100011215163_100000183359 [0,2,0,0,0,0|2,0,0]=4 7983 B12R0.248 CNC(=O)COCCOCCOC 527a_100102657272_100011214951 [0,2,0,0,0,0|2,0,0]=4 7984 B12R0.248 CNC(=O)COCCOCCOC 7a_100011215163_100000183359 [0,2,0,0,0,0|2,0,0]=4 7985 B12R0.248 CNC(=O)CSCCCCCC#N 62a_100000183359_100009813376 [0,2,0,0,0,0|1,0,1]=4 7986 B12R0.248 CNC(=O)CSCCCCCC#N 62a_100009813376_100000183359 [0,2,0,0,0,0|1,0,1]=4 7987 B12R0.248 CNC(=O)CSCCCCCC=O 62a_100000139337_100000183359 [0,2,0,0,0,0|1,0,1]=4 7988 B12R0.248 CNC(=O)CSCCCCCC=O 62a_100000183359_100000139337 [0,2,0,0,0,0|1,0,1]=4 7989 B12R0.248 CNC(=O)CSCCCCCCF 62a_100000183359_100015922095 [0,2,0,0,0,0|1,0,0]=3 7990 B12R0.248 CNC(=O)CSCCCCCCF 62a_100015922095_100000183359 [0,2,0,0,0,0|1,0,0]=3 7991 B12R0.248 CNC(=O)CSCCCCCCO 62a_100000183359_100000766143 [0,2,0,0,0,0|1,0,0]=3 7992 B12R0.248 CNC(=O)CSCCCCCCO 62a_100000766143_100000183359 [0,2,0,0,0,0|1,0,0]=3 7993 B12R0.248 CNC(=O)CSCCOCCOC 62a_100000183359_100000695917 [0,2,0,0,0,0|2,0,0]=4 7994 B12R0.248 CNC(=O)CSCCOCCOC 62a_100000695917_100000183359 [0,2,0,0,0,0|2,0,0]=4 7995 B12R0.248 CNC(=O)NCCCCCCCO 2708a_100011996573_106832991635 [0,2,0,0,0,0|1,0,0]=3 7996 B12R0.248 CNC(=O)NCCCCCCCO 2708a_100102657272_100011996573 [0,2,0,0,0,0|1,0,0]=3 7997 B12R0.248 CNC(=O)NCCCCCCCO 273464a_100011996573_100102657272 [0,2,0,0,0,0|1,0,0]=3 7998 B12R0.248 CNC(=O)NCCCCCCCO 273464a_100102657272_100011996573 [0,2,0,0,0,0|1,0,0]=3 7999 B12R0.248 CNC(=O)NCCCCCCCO 512a_100011996573_100102657272 [0,2,0,0,0,0|1,0,0]=3 8000 B12R0.248 CNC(=O)NCCCCCCCO 512a_106832991638_100011996573 [0,2,0,0,0,0|1,0,0]=3 8001 B12R0.248 CNC(=O)NCCCOCCCO 2708a_100102657272_100011310245 [0,2,0,0,0,0|2,0,0]=4 8002 B12R0.248 CNC(=O)NCCCOCCCO 273464a_100011310245_100102657272 [0,2,0,0,0,0|2,0,0]=4 8003 B12R0.248 CNC(=O)NCCCOCCCO 273464a_100102657272_100011310245 [0,2,0,0,0,0|2,0,0]=4 8004 B12R0.248 CNC(=O)NCCCOCCOC 2708a_100000206027_106832991635 [0,2,0,0,0,0|2,0,0]=4 8005 B12R0.248 CNC(=O)NCCCOCCOC 2708a_100102657272_100000206027 [0,2,0,0,0,0|2,0,0]=4 8006 B12R0.248 CNC(=O)NCCCOCCOC 273464a_100000206027_100102657272 [0,2,0,0,0,0|2,0,0]=4 8007 B12R0.248 CNC(=O)NCCCOCCOC 273464a_100102657272_100000206027 [0,2,0,0,0,0|2,0,0]=4 8008 B12R0.248 CNC(=O)NCCNCCCCF 34a_100015205895_100000729493 [0,2,0,0,0,0|2,0,0]=4 8009 B12R0.248 CNC(=O)NCCNCCCCO 34a_100015205895_100011216708 [0,2,0,0,0,0|2,0,0]=4 8010 B12R0.248 CNC(=O)NCCNCCCOC 34a_100015205895_100000740836 [0,2,0,0,0,0|2,0,0]=4 8011 B12R0.248 CNC(=O)OCCNCCCCO 34a_100000750430_200011997002 [0,2,0,0,0,0|2,0,0]=4 8012 B12R0.248 CNC(=O)OCCNCCCOC 34a_100150723488_200011997002 [0,2,0,0,0,0|2,0,0]=4 8013 B12R0.248 CNC(=O)OCCOCCCCBr 34a_100011216708_200011997002 [0,2,0,0,0,0|2,0,0]=4 8014 B12R0.248 CNC(=O)OCCOCCCCCl 34a_100000210776_200011997002 [0,2,0,0,0,0|2,0,0]=4 8015 B12R0.248 CNC(=O)OCCOCCCCCl 7a_100000210776_200011997002 [0,2,0,0,0,0|2,0,0]=4 8016 B12R0.248 CNC(=O)OCCOCCCCF 34a_100011995726_200011997002 [0,2,0,0,0,0|2,0,0]=4 8017 B12R0.248 CNC(=O)OCCOCCCCF 7a_100011995726_200011997002 [0,2,0,0,0,0|2,0,0]=4 8018 B12R0.248 CNC(=O)OCCOCCCCI 34a_200012148704_200011997002 [0,2,0,0,0,0|2,0,0]=4 8019 B12R0.248 CNC(=O)OCCOCCCCN 34a_100000750430_200011997002 [0,2,0,0,0,0|2,0,0]=4 8020 B12R0.248 CNC(=O)OCCOCCCOC 34a_100000740835_200011997002 [0,2,0,0,0,0|2,0,0]=4 8021 B12R0.248 CNC(=O)OCCOCCCSC 34a_100000690336_200011997002 [0,2,0,0,0,0|2,0,0]=4 8022 B12R0.248 CNC(=O)OCCOCCCSC 7a_100000690336_200011997002 [0,2,0,0,0,0|2,0,0]=4 8023 B12R0.248 CNC(=O)OCCSCCCCF 62a_100000729493_200011997002 [0,2,0,0,0,0|2,0,0]=4 8024 B12R0.248 CNC(=O)OCCSCCCCF 62a_200011997002_100000729493 [0,2,0,0,0,0|2,0,0]=4 8025 B12R0.248 CNC(=O)OCCSCCCCO 62a_100000210776_200011997002 [0,2,0,0,0,0|2,0,0]=4 8026 B12R0.248 CNC(=O)OCCSCCCCO 62a_200011997002_100000210776 [0,2,0,0,0,0|2,0,0]=4 8027 B12R0.248 CNC(=O)OCCSCCCOC 62a_100000709357_200011997002 [0,2,0,0,0,0|2,0,0]=4 8028 B12R0.248 CNC(=O)OCCSCCCOC 62a_200011997002_100000709357 [0,2,0,0,0,0|2,0,0]=4 8029 B12R0.248 CNCCCCCCCC(=O)OC 2230a_106832991635_100010004213 [0,2,0,0,0,0|2,0,0]=4 8030 B12R0.248 CNCCCCCCCC(=O)OC 34a_100102657272_100010004213 [0,2,0,0,0,0|2,0,0]=4 8031 B12R0.248 CNCCCCCCCC(=O)OC 7a_106832991635_100010004213 [0,2,0,0,0,0|2,0,0]=4 8032 B12R0.248 CNCCCCCOCC(=O)NC 34a_100000722520_100000183359 [0,2,0,0,0,0|1,0,0]=3 8033 B12R0.248 CNCCCCCOCC(=O)OC 34a_100000722520_100000747449 [0,2,0,0,0,0|2,0,0]=4 8034 B12R0.248 CNCCCOCCCC(=O)NC 34a_100000213112_100000741757 [0,2,0,0,0,0|1,0,0]=3 8035 B12R0.248 CNCCCOCCCC(=O)OC 34a_100000213112_100000742333 [0,2,0,0,0,0|2,0,0]=4 8036 B12R0.248 CNCCCOCCOC(=O)NC 34a_100000213112_200011997002 [0,2,0,0,0,0|2,0,0]=4 8037 B12R0.248 CNCCOCCOCC(=O)NC 34a_100000228057_100000183359 [0,2,0,0,0,0|2,0,0]=4 8038 B12R0.248 COC(=O)CCCCCCCO[13CH3] 34a_100011022521_200025704644 [0,2,0,0,0,0|2,0,0]=4 8039 B12R0.248 COC(=O)CCCCCCCO[13CH3] 7a_100011022521_200025704644 [0,2,0,0,0,0|2,0,0]=4 8040 B12R0.248 COC(=O)CCCCCCCSC 62a_100010004213_200000210301 [0,2,0,0,0,0|2,0,0]=4 8041 B12R0.248 COC(=O)CCCCCCCSC 62a_200000210301_100010004213 [0,2,0,0,0,0|2,0,0]=4 8042 B12R0.248 COC(=O)CCCCCCCS[13CH3] 62a_100010004213_200025704644 [0,2,0,0,0,0|2,0,0]=4 8043 B12R0.248 COC(=O)CCCCCCCS[13CH3] 62a_200025704644_100010004213 [0,2,0,0,0,0|2,0,0]=4 8044 B12R0.248 COC(=O)CCCCCCOCF 34a_100009863599_100015361967 [0,2,0,0,0,0|2,0,0]=4 8045 B12R0.248 COC(=O)CCCCCCOCF 7a_100009863599_100015361967 [0,2,0,0,0,0|2,0,0]=4 8046 B12R0.248 COC(=O)CCCCCCSCF 62a_100009815986_100015361967 [0,2,0,0,0,0|2,0,0]=4 8047 B12R0.248 COC(=O)CCCCCCSCF 62a_100015361967_100009815986 [0,2,0,0,0,0|2,0,0]=4 8048 B12R0.248 COC(=O)CCCCCNCCF 34a_100000724931_100009816466 [0,2,0,0,0,0|2,0,0]=4 8049 B12R0.248 COC(=O)CCCCCNCCO 2230a_100016997473_100009816466 [0,2,0,0,0,0|2,0,0]=4 8050 B12R0.248 COC(=O)CCCCCNCCO 34a_100016990907_100009816466 [0,2,0,0,0,0|2,0,0]=4 8051 B12R0.248 COC(=O)CCCCCOCCBr 34a_100000211926_100009816466 [0,2,0,0,0,0|2,0,0]=4 8052 B12R0.248 COC(=O)CCCCCOCCF 34a_100000074720_100011217306 [0,2,0,0,0,0|2,0,0]=4 8053 B12R0.248 COC(=O)CCCCCOCCF 7a_100000074720_100011217306 [0,2,0,0,0,0|2,0,0]=4 8054 B12R0.248 COC(=O)CCCCCOCCN 34a_100000210304_100009816466 [0,2,0,0,0,0|2,0,0]=4 8055 B12R0.248 COC(=O)CCCCCOCCO 34a_100000074720_100000211926 [0,2,0,0,0,0|2,0,0]=4 8056 B12R0.248 COC(=O)CCCCCOCCO 7a_100000074720_100000211926 [0,2,0,0,0,0|2,0,0]=4 8057 B12R0.248 COC(=O)CCCCCOCSC 34a_100000074720_100011218213 [0,2,0,0,0,0|2,0,0]=4 8058 B12R0.248 COC(=O)CCCCCSCCF 62a_100009816466_100011217306 [0,2,0,0,0,0|2,0,0]=4 8059 B12R0.248 COC(=O)CCCCCSCCF 62a_100011217306_100009816466 [0,2,0,0,0,0|2,0,0]=4 8060 B12R0.248 COC(=O)CCCCCSCCO 62a_100000211926_100009816466 [0,2,0,0,0,0|2,0,0]=4 8061 B12R0.248 COC(=O)CCCCCSCCO 62a_100009816466_100000211926 [0,2,0,0,0,0|2,0,0]=4 8062 B12R0.248 COC(=O)CCCCCSCSC 62a_100009816466_100011218213 [0,2,0,0,0,0|2,0,0]=4 8063 B12R0.248 COC(=O)CCCCCSCSC 62a_100011218213_100009816466 [0,2,0,0,0,0|2,0,0]=4 8064 B12R0.248 COC(=O)CCCCNCCCF 2230a_100015189416_100000204269 [0,2,0,0,0,0|2,0,0]=4 8065 B12R0.248 COC(=O)CCCCNCCCF 34a_100015189416_100000204269 [0,2,0,0,0,0|2,0,0]=4 8066 B12R0.248 COC(=O)CCCCNCCSC 2230a_100020590264_100000204269 [0,2,0,0,0,0|2,0,0]=4 8067 B12R0.248 COC(=O)CCCCOCCCBr 34a_100011217188_100000204269 [0,2,0,0,0,0|2,0,0]=4 8068 B12R0.248 COC(=O)CCCCOCCCCl 34a_100000230001_100000204269 [0,2,0,0,0,0|2,0,0]=4 8069 B12R0.248 COC(=O)CCCCOCCCF 34a_100000059025_100011934791 [0,2,0,0,0,0|2,0,0]=4 8070 B12R0.248 COC(=O)CCCCOCCCF 34a_100000759539_100000204269 [0,2,0,0,0,0|2,0,0]=4 8071 B12R0.248 COC(=O)CCCCOCCCF 7a_100000059025_100011934791 [0,2,0,0,0,0|2,0,0]=4 8072 B12R0.248 COC(=O)CCCCOCCCN 34a_100000182051_100000204269 [0,2,0,0,0,0|2,0,0]=4 8073 B12R0.248 COC(=O)CCCCOCCCO 34a_100000059025_100000230001 [0,2,0,0,0,0|2,0,0]=4 8074 B12R0.248 COC(=O)CCCCOCCCO 7a_100000059025_100011215043 [0,2,0,0,0,0|2,0,0]=4 8075 B12R0.248 COC(=O)CCCCOCCSC 34a_100000059025_100000212216 [0,2,0,0,0,0|2,0,0]=4 8076 B12R0.248 COC(=O)CCCCOCCSC 34a_100000230434_100000204269 [0,2,0,0,0,0|2,0,0]=4 8077 B12R0.248 COC(=O)CCCCOCCSC 7a_100000059025_100000212216 [0,2,0,0,0,0|2,0,0]=4 8078 B12R0.248 COC(=O)CCCCOCCSC 7a_100000230434_100000204269 [0,2,0,0,0,0|2,0,0]=4 8079 B12R0.248 COC(=O)CCCCSCCCF 62a_100000204269_100011934791 [0,2,0,0,0,0|2,0,0]=4 8080 B12R0.248 COC(=O)CCCCSCCCF 62a_100011934791_100000204269 [0,2,0,0,0,0|2,0,0]=4 8081 B12R0.248 COC(=O)CCCCSCCCO 62a_100000204269_100011215043 [0,2,0,0,0,0|2,0,0]=4 8082 B12R0.248 COC(=O)CCCCSCCCO 62a_100011215043_100000204269 [0,2,0,0,0,0|2,0,0]=4 8083 B12R0.248 COC(=O)CCCCSCCSC 62a_100000204269_100000751147 [0,2,0,0,0,0|2,0,0]=4 8084 B12R0.248 COC(=O)CCCCSCCSC 62a_100000212216_100000204269 [0,2,0,0,0,0|2,0,0]=4 8085 B12R0.248 COC(=O)CCCNCCCCO 2230a_100000750430_100011218270 [0,2,0,0,0,0|2,0,0]=4 8086 B12R0.248 COC(=O)CCCNCCCCO 34a_100000750430_100000742333 [0,2,0,0,0,0|2,0,0]=4 8087 B12R0.248 COC(=O)CCCNCCCSC 2230a_100000749238_100011218270 [0,2,0,0,0,0|2,0,0]=4 8088 B12R0.248 COC(=O)CCCOCCCCBr 34a_100011216708_100000742333 [0,2,0,0,0,0|2,0,0]=4 8089 B12R0.248 COC(=O)CCCOCCCCCl 34a_100000210776_100000742333 [0,2,0,0,0,0|2,0,0]=4 8090 B12R0.248 COC(=O)CCCOCCCCCl 7a_100000210776_100011218270 [0,2,0,0,0,0|2,0,0]=4 8091 B12R0.248 COC(=O)CCCOCCCCF 34a_100011995726_100000742333 [0,2,0,0,0,0|2,0,0]=4 8092 B12R0.248 COC(=O)CCCOCCCCF 7a_100011995726_100011218270 [0,2,0,0,0,0|2,0,0]=4 8093 B12R0.248 COC(=O)CCCOCCCCI 34a_200012148704_100000742333 [0,2,0,0,0,0|2,0,0]=4 8094 B12R0.248 COC(=O)CCCOCCCCN 34a_100000750430_100000742333 [0,2,0,0,0,0|2,0,0]=4 8095 B12R0.248 COC(=O)CCCOCCCSC 34a_100000690336_100000742333 [0,2,0,0,0,0|2,0,0]=4 8096 B12R0.248 COC(=O)CCCOCCCSC 7a_100000690336_100011218270 [0,2,0,0,0,0|2,0,0]=4 8097 B12R0.248 COC(=O)CCCSCCCCF 62a_100000729493_100011218270 [0,2,0,0,0,0|2,0,0]=4 8098 B12R0.248 COC(=O)CCCSCCCCF 62a_100011218270_100000729493 [0,2,0,0,0,0|2,0,0]=4 8099 B12R0.248 COC(=O)CCCSCCCCO 62a_100000210776_100011218270 [0,2,0,0,0,0|2,0,0]=4 8100 B12R0.248 COC(=O)CCCSCCCCO 62a_100011218270_100000210776 [0,2,0,0,0,0|2,0,0]=4 8101 B12R0.248 COC(=O)CCNCCCCCO 2230a_100000762737_100000204255 [0,2,0,0,0,0|2,0,0]=4 8102 B12R0.248 COC(=O)CCNCCCCCO 34a_100000762737_100000742370 [0,2,0,0,0,0|2,0,0]=4 8103 B12R0.248 COC(=O)CCOCCCCCBr 34a_100000746331_100000742370 [0,2,0,0,0,0|2,0,0]=4 8104 B12R0.248 COC(=O)CCOCCCCCBr 7a_100000746331_100000204255 [0,2,0,0,0,0|2,0,0]=4 8105 B12R0.248 COC(=O)CCOCCCCCCl 34a_100000746330_100000742370 [0,2,0,0,0,0|2,0,0]=4 8106 B12R0.248 COC(=O)CCOCCCCCCl 7a_100000746330_100000204255 [0,2,0,0,0,0|2,0,0]=4 8107 B12R0.248 COC(=O)CCOCCCCCI 34a_200012148887_100000742370 [0,2,0,0,0,0|2,0,0]=4 8108 B12R0.248 COC(=O)CCOCCCCCI 7a_200012148887_100000204255 [0,2,0,0,0,0|2,0,0]=4 8109 B12R0.248 COC(=O)CCOCCCCCN 34a_100000762737_100000742370 [0,2,0,0,0,0|2,0,0]=4 8110 B12R0.248 COC(=O)CCOCCCCSC 34a_100011217163_100000742370 [0,2,0,0,0,0|2,0,0]=4 8111 B12R0.248 COC(=O)CCOCCCCSC 7a_100011217163_100000204255 [0,2,0,0,0,0|2,0,0]=4 8112 B12R0.248 COC(=O)CCSCCCCCF 62a_100000204255_100000729378 [0,2,0,0,0,0|2,0,0]=4 8113 B12R0.248 COC(=O)CCSCCCCCF 62a_100000729378_100000204255 [0,2,0,0,0,0|2,0,0]=4 8114 B12R0.248 COC(=O)CCSCCCCCO 62a_100000204255_100000746330 [0,2,0,0,0,0|2,0,0]=4 8115 B12R0.248 COC(=O)CCSCCCCCO 62a_100000746330_100000204255 [0,2,0,0,0,0|2,0,0]=4 8116 B12R0.248 COC(=O)CNCCCCCCO 2230a_100000686447_100000747449 [0,2,0,0,0,0|2,0,0]=4 8117 B12R0.248 COC(=O)CNCCCCCCO 34a_100000686447_100000747449 [0,2,0,0,0,0|2,0,0]=4 8118 B12R0.248 COC(=O)COCCCCCCBr 34a_100011215345_100000747449 [0,2,0,0,0,0|2,0,0]=4 8119 B12R0.248 COC(=O)COCCCCCCBr 7a_100011215345_100000747449 [0,2,0,0,0,0|2,0,0]=4 8120 B12R0.248 COC(=O)COCCCCCCCl 34a_100000766143_100000747449 [0,2,0,0,0,0|2,0,0]=4 8121 B12R0.248 COC(=O)COCCCCCCCl 7a_100000766143_100000747449 [0,2,0,0,0,0|2,0,0]=4 8122 B12R0.248 COC(=O)COCCCCCCF 34a_100000732779_100000747449 [0,2,0,0,0,0|2,0,0]=4 8123 B12R0.248 COC(=O)COCCCCCCF 7a_100000732779_100000747449 [0,2,0,0,0,0|2,0,0]=4 8124 B12R0.248 COC(=O)COCCCCCCN 34a_100000686447_100000747449 [0,2,0,0,0,0|2,0,0]=4 8125 B12R0.248 COC(=O)CSCCCCCCF 62a_100000747449_100015922095 [0,2,0,0,0,0|2,0,0]=4 8126 B12R0.248 COC(=O)CSCCCCCCF 62a_100015922095_100000747449 [0,2,0,0,0,0|2,0,0]=4 8127 B12R0.248 COC(=O)CSCCCCCCO 62a_100000747449_100000766143 [0,2,0,0,0,0|2,0,0]=4 8128 B12R0.248 COC(=O)CSCCCCCCO 62a_100000766143_100000747449 [0,2,0,0,0,0|2,0,0]=4 8129 B12R0.248 COCCCCCCCC(=O)OC 34a_100011022521_200000210301 [0,2,0,0,0,0|2,0,0]=4 8130 B12R0.248 COCCCCCCCC(=O)OC 34a_100138415774_100010004213 [0,2,0,0,0,0|2,0,0]=4 8131 B12R0.248 COCCCCCCCC(=O)OC 7a_100011022521_200000210301 [0,2,0,0,0,0|2,0,0]=4 8132 B12R0.248 COCCCCCNCC(=O)OC 2230a_100000747528_100000747449 [0,2,0,0,0,0|2,0,0]=4 8133 B12R0.248 COCCCCCNCC(=O)OC 34a_100000747528_100000747449 [0,2,0,0,0,0|2,0,0]=4 8134 B12R0.248 COCCCCOCCC(=NO)N 34a_100000749954_100000755781 [0,2,0,0,0,0|1,0,1]=4 8135 B12R0.248 COCCCCOCCC(=O)OC 34a_100000740925_100000742370 [0,2,0,0,0,0|2,0,0]=4 8136 B12R0.248 COCCCCSCCC(=O)OC 62a_100000204255_100000730899 [0,2,0,0,0,0|2,0,0]=4 8137 B12R0.248 COCCCCSCCC(=O)OC 62a_100000730899_100000204255 [0,2,0,0,0,0|2,0,0]=4 8138 B12R0.248 COCCCNCCCC(=O)OC 34a_100150723488_100000742333 [0,2,0,0,0,0|2,0,0]=4 8139 B12R0.248 COCCCOCCCC(=O)NN 34a_100000211488_100000740836 [0,2,0,0,0,0|1,0,0]=3 8140 B12R0.248 COCCCOCCCC(=O)OC 34a_100000740835_100000742333 [0,2,0,0,0,0|2,0,0]=4 8141 B12R0.248 COCCCSCCCC(=O)OC 62a_100000709357_100011218270 [0,2,0,0,0,0|2,0,0]=4 8142 B12R0.248 COCCCSCCCC(=O)OC 62a_100011218270_100000709357 [0,2,0,0,0,0|2,0,0]=4 8143 B12R0.248 COCCNCCCCC(=O)OC 2230a_100000209980_100000204269 [0,2,0,0,0,0|2,0,0]=4 8144 B12R0.248 COCCOCCCCC(=O)OC 34a_100000059025_100011201679 [0,2,0,0,0,0|2,0,0]=4 8145 B12R0.248 COCCOCCCCC(=O)OC 34a_100000210237_100000204269 [0,2,0,0,0,0|2,0,0]=4 8146 B12R0.248 COCCOCCCCC(=O)OC 7a_100000059025_100000233755 [0,2,0,0,0,0|2,0,0]=4 8147 B12R0.248 COCCOCCCNC(=O)CO 240690a_100000206027_100000210174 [0,2,0,0,0,0|2,0,0]=4 8148 B12R0.248 COCCSCCCCC(=O)OC 62a_100000204269_100000233755 [0,2,0,0,0,0|2,0,0]=4 8149 B12R0.248 COCCSCCCCC(=O)OC 62a_100000233755_100000204269 [0,2,0,0,0,0|2,0,0]=4 8150 B12R0.248 COCSCCCCCC(=O)OC 62a_100000766300_100009816466 [0,2,0,0,0,0|2,0,0]=4 8151 B12R0.248 COCSCCCCCC(=O)OC 62a_100009816466_100000766300 [0,2,0,0,0,0|2,0,0]=4 8152 B12R0.248 NC(=NO)CCOCCCCCF 34a_100000749954_100000729378 [0,2,0,0,0,0|1,0,1]=4 8153 B12R0.248 NC(=NO)CCOCCCCCO 34a_100000749954_100000746330 [0,2,0,0,0,0|1,0,1]=4 8154 B12R0.248 NNC(=O)CCCOCCCCF 34a_100000211488_100000729493 [0,2,0,0,0,0|1,0,0]=3 8155 B12R0.248 NNC(=O)CCCOCCCCO 34a_100000211488_100011216708 [0,2,0,0,0,0|1,0,0]=3 8156 B12R0.248 O=C(CO)CCCCCCCCO 1458a_100000210174_100000033203 [0,2,0,0,0,0|1,0,0]=3 8157 B12R0.248 O=C(CO)CCOCCOCCO 1458a_100000210174_100000032323 [0,2,0,0,0,0|2,0,0]=4 8158 B12R0.248 O=C(CO)NCCCCCCCO 240690a_100011996573_100000210174 [0,2,0,0,0,0|1,0,0]=3 8159 B12R0.248 O=C(CO)NCCCOCCCO 240690a_100011310245_100000210174 [0,2,0,0,0,0|2,0,0]=4 8160 B12R0.251 C#CCCCCCCC(=O)C(O)O 1458a_100000233687_100012276617 [0,2,0,0,0,0|1,0,1]=4 8161 B12R0.251 C#CCCCCCCC(=O)N(C)C 11a_100102631434_100000034748 [0,2,0,0,0,0|1,0,1]=4 8162 B12R0.251 C#CCCCCCCC(=O)N(C)C 1626a_100102631434_100000034748 [0,2,0,0,0,0|1,0,1]=4 8163 B12R0.251 C#CCCCCCCC(=O)N(C)C 240690a_100102631434_100000034748 [0,2,0,0,0,0|1,0,1]=4 8164 B12R0.251 C#CCCCCCCC(=O)N(C)C 527a_100102631434_100000034748 [0,2,0,0,0,0|1,0,1]=4 8165 B12R0.251 C#CCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100012276617 [0,2,0,0,0,0|1,0,1]=4 8166 B12R0.251 C#CCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100012276617 [0,2,0,0,0,0|1,0,1]=4 8167 B12R0.251 C=C(Br)C(=O)NCCCCCCC 11a_100000229938_100009813364 [0,2,0,0,0,0|2,0,0]=4 8168 B12R0.251 C=C(Br)C(=O)NCCCCCCC 1626a_100000229938_100009813364 [0,2,0,0,0,0|2,0,0]=4 8169 B12R0.251 C=C(C)C(=O)CCCCCCCC 1458a_100000185857_100000210759 [0,2,0,0,0,0|2,0,0]=4 8170 B12R0.251 C=C(C)C(=O)CCCCCCCO 1458a_100000185857_100000760002 [0,2,0,0,0,0|2,0,0]=4 8171 B12R0.251 C=C(C)C(=O)CCCCCCOC 1458a_100000185857_100011998445 [0,2,0,0,0,0|2,0,0]=4 8172 B12R0.251 C=C(C)C(=O)NCCCCCCC 11a_100000229938_100000185857 [0,2,0,0,0,0|2,0,0]=4 8173 B12R0.251 C=C(C)C(=O)NCCCCCCC 1626a_100000229938_100000185857 [0,2,0,0,0,0|2,0,0]=4 8174 B12R0.251 C=C(Cl)C(=O)NCCCCCCC 11a_100000229938_100000039160 [0,2,0,0,0,0|2,0,0]=4 8175 B12R0.251 C=C(Cl)C(=O)NCCCCCCC 1626a_100000229938_100000039160 [0,2,0,0,0,0|2,0,0]=4 8176 B12R0.251 C=C(F)C(=O)NCCCCCCC 11a_100000229938_100000036797 [0,2,0,0,0,0|2,0,0]=4 8177 B12R0.251 C=C(F)C(=O)NCCCCCCC 1626a_100000229938_100000036797 [0,2,0,0,0,0|2,0,0]=4 8178 B12R0.251 C=CCCCCCCC(=O)C(O)O 1458a_100000233687_100011215473 [0,2,0,0,0,0|1,0,1]=4 8179 B12R0.251 C=CCCCCCCC(=O)N(C)C 11a_100102631434_100011809334 [0,2,0,0,0,0|1,0,1]=4 8180 B12R0.251 C=CCCCCCCC(=O)N(C)C 1626a_100102631434_100011809334 [0,2,0,0,0,0|1,0,1]=4 8181 B12R0.251 C=CCCCCCCC(=O)N(C)C 240690a_100102631434_100011809334 [0,2,0,0,0,0|1,0,1]=4 8182 B12R0.251 C=CCCCCCCC(=O)N(C)C 527a_100102631434_100011809334 [0,2,0,0,0,0|1,0,1]=4 8183 B12R0.251 C=CCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100011215473 [0,2,0,0,0,0|1,0,1]=4 8184 B12R0.251 C=CCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100011215473 [0,2,0,0,0,0|1,0,1]=4 8185 B12R0.251 CC(C)C(=O)CCCCCCCO 1458a_100000210198_100000760002 [0,2,0,0,0,0|2,0,0]=4 8186 B12R0.251 CC(C)C(=O)CCCCCCCO 1458a_100011219782_100000210206 [0,2,0,0,0,0|2,0,0]=4 8187 B12R0.251 CC(F)C(=O)CCCCCCCO 1458a_100000062450_100000760002 [0,2,0,0,0,0|2,0,0]=4 8188 B12R0.251 CCCCC/C=C/CC(=O)N(C)C 11a_100102631434_100020675968 [0,2,0,0,0,0|1,0,1]=4 8189 B12R0.251 CCCCC/C=C/CC(=O)N(C)C 1626a_100102631434_100020675968 [0,2,0,0,0,0|1,0,1]=4 8190 B12R0.251 CCCCC/C=C/CC(=O)N(C)C 240690a_100102631434_100020675968 [0,2,0,0,0,0|1,0,1]=4 8191 B12R0.251 CCCCCC#CCC(=O)C(O)O 1458a_100000233687_100009816472 [0,2,0,0,0,0|1,0,1]=4 8192 B12R0.251 CCCCCC#CCC(=O)[C@@H](C)O 1458a_100000717761_100009816472 [0,2,0,0,0,0|1,0,1]=4 8193 B12R0.251 CCCCCC#CCC(=O)[C@H](C)O 1458a_217856618621_100009816472 [0,2,0,0,0,0|1,0,1]=4 8194 B12R0.251 CCCCCCC=CC(=O)N(C)C 11a_100102631434_200015324643 [0,2,0,0,0,0|1,0,1]=4 8195 B12R0.251 CCCCCCC=CC(=O)N(C)C 1626a_100102631434_200015324643 [0,2,0,0,0,0|1,0,1]=4 8196 B12R0.251 CCCCCCC=CC(=O)N(C)C 240690a_100102631434_200015324643 [0,2,0,0,0,0|1,0,1]=4 8197 B12R0.251 CCCCCCCCC(=O)C(C)C 1458a_100000210188_100000210206 [0,2,0,0,0,0|2,0,0]=4 8198 B12R0.251 CCCCCCCCC(=O)C(C)C 1458a_100000210198_100000210759 [0,2,0,0,0,0|2,0,0]=4 8199 B12R0.251 CCCCCCCCC(=O)C(C)F 1458a_100000062450_100000210759 [0,2,0,0,0,0|2,0,0]=4 8200 B12R0.251 CCCCCCCCC(=O)C(O)O 1458a_100000233687_100000210759 [0,2,0,0,0,0|1,0,0]=3 8201 B12R0.251 CCCCCCCCC(=O)N(C)C 11a_100102631434_100000210188 [0,2,0,0,0,0|1,0,0]=3 8202 B12R0.251 CCCCCCCCC(=O)N(C)C 1626a_100102631434_100000210188 [0,2,0,0,0,0|1,0,0]=3 8203 B12R0.251 CCCCCCCCC(=O)N(C)C 240690a_100102631434_100000210188 [0,2,0,0,0,0|1,0,0]=3 8204 B12R0.251 CCCCCCCCC(=O)N(C)C 527a_100102631434_100000210188 [0,2,0,0,0,0|1,0,0]=3 8205 B12R0.251 CCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210759 [0,2,0,0,0,0|1,0,0]=3 8206 B12R0.251 CCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210759 [0,2,0,0,0,0|1,0,0]=3 8207 B12R0.251 CCCCCCCNC(=O)C(=O)N 240690a_100000229938_100011215815 [0,2,0,0,0,0|1,0,1]=4 8208 B12R0.251 CCCCCCCNC(=O)C(C)C 11a_100000229938_100000210198 [0,2,0,0,0,0|2,0,0]=4 8209 B12R0.251 CCCCCCCNC(=O)C(C)C 1626a_100000229938_100000210198 [0,2,0,0,0,0|2,0,0]=4 8210 B12R0.251 CCCCCCCNC(=O)C(C)C 240690a_100000229938_100000210198 [0,2,0,0,0,0|2,0,0]=4 8211 B12R0.251 CCCCCCCNC(=O)C(C)C 527a_100000229938_100000210198 [0,2,0,0,0,0|2,0,0]=4 8212 B12R0.251 CCCCCCCNC(=O)C(C)F 11a_100000229938_100000062450 [0,2,0,0,0,0|2,0,0]=4 8213 B12R0.251 CCCCCCCNC(=O)C(C)F 1626a_100000229938_100000062450 [0,2,0,0,0,0|2,0,0]=4 8214 B12R0.251 CCCCCCCNC(=O)C(C)F 240690a_100000229938_100000062450 [0,2,0,0,0,0|2,0,0]=4 8215 B12R0.251 CCCCCCCNC(=O)C(C)F 527a_100000229938_100000062450 [0,2,0,0,0,0|2,0,0]=4 8216 B12R0.251 CCCCCCCNC(=O)C(F)F 11a_100000229938_100000210393 [0,2,0,0,0,0|2,0,0]=4 8217 B12R0.251 CCCCCCCNC(=O)C(F)F 1626a_100000229938_100000210393 [0,2,0,0,0,0|2,0,0]=4 8218 B12R0.251 CCCCCCCNC(=O)C(F)F 240690a_100000229938_100000210393 [0,2,0,0,0,0|2,0,0]=4 8219 B12R0.251 CCCCCCCNC(=O)C(F)F 527a_100000229938_100000210393 [0,2,0,0,0,0|2,0,0]=4 8220 B12R0.251 CCCCCCCNC(=O)C(O)O 240690a_100000229938_100000233687 [0,2,0,0,0,0|1,0,0]=3 8221 B12R0.251 CCCCCCCNC(=O)N(C)C 2708a_100000229938_100102631434 [0,2,0,0,0,0|1,0,0]=3 8222 B12R0.251 CCCCCCCNC(=O)[C@@H](C)O 240690a_100000229938_100000717761 [0,2,0,0,0,0|1,0,0]=3 8223 B12R0.251 CCCCCCCNC(=O)[C@H](C)O 1626a_100000229938_217856618621 [0,2,0,0,0,0|1,0,0]=3 8224 B12R0.251 CCCCCCCNC(=O)[C@H](C)O 240690a_100000229938_217856618621 [0,2,0,0,0,0|1,0,0]=3 8225 B12R0.251 CCCCCCNCC(=O)C(C)C 2230a_100000210581_100000753385 [0,2,0,0,0,0|2,0,0]=4 8226 B12R0.251 CCCCCCNCC(=O)N(C)C 2230a_100000210581_100000185267 [0,2,0,0,0,0|1,0,0]=3 8227 B12R0.251 CCCCCCNCC(=O)N(C)C 2230a_100015183351_100000210314 [0,2,0,0,0,0|1,0,0]=3 8228 B12R0.251 CCCCCCOCC(=O)C(=O)C 34a_100000210259_100011261029 [0,2,0,0,0,0|1,0,1]=4 8229 B12R0.251 CCCCCCOCC(=O)C(C)C 34a_100000210259_100000753385 [0,2,0,0,0,0|2,0,0]=4 8230 B12R0.251 CCCCCCOCC(=O)C(C)C 7a_100000210259_100000753385 [0,2,0,0,0,0|2,0,0]=4 8231 B12R0.251 CCCCCCOCC(=O)N(C)C 34a_100000210259_100000692301 [0,2,0,0,0,0|1,0,0]=3 8232 B12R0.251 CCCCCCOCC(=O)N(C)C 7a_100000210259_100000692301 [0,2,0,0,0,0|1,0,0]=3 8233 B12R0.251 CCCCCCSCC(=O)C(=O)C 62a_100000210314_100011261029 [0,2,0,0,0,0|1,0,1]=4 8234 B12R0.251 CCCCCCSCC(=O)C(=O)C 62a_100011261029_100000210757 [0,2,0,0,0,0|1,0,1]=4 8235 B12R0.251 CCCCCCSCC(=O)C(C)C 62a_100000210314_100000753385 [0,2,0,0,0,0|2,0,0]=4 8236 B12R0.251 CCCCCCSCC(=O)C(C)C 62a_100000753385_100000210757 [0,2,0,0,0,0|2,0,0]=4 8237 B12R0.251 CCCCCCSCC(=O)N(C)C 62a_100000210314_100000692301 [0,2,0,0,0,0|1,0,0]=3 8238 B12R0.251 CCCCCCSCC(=O)N(C)C 62a_100000692301_100000210757 [0,2,0,0,0,0|1,0,0]=3 8239 B12R0.251 CCCCCNCCC(=O)N(C)C 2230a_100000209983_100000737620 [0,2,0,0,0,0|1,0,0]=3 8240 B12R0.251 CCCCCNCCC(=O)N(C)C 2230a_100000738053_100000210326 [0,2,0,0,0,0|1,0,0]=3 8241 B12R0.251 CCCCCOCCC(=O)N(C)C 34a_200000747469_100000718602 [0,2,0,0,0,0|1,0,0]=3 8242 B12R0.251 CCCCCOCCC(=O)N(C)C 7a_100000210253_100000737620 [0,2,0,0,0,0|1,0,0]=3 8243 B12R0.251 CCCCCSCCC(=O)N(C)C 62a_100000210326_100000737620 [0,2,0,0,0,0|1,0,0]=3 8244 B12R0.251 CCCCCSCCC(=O)N(C)C 62a_100000737620_100000210326 [0,2,0,0,0,0|1,0,0]=3 8245 B12R0.251 CCCCNCCCC(=O)N(C)C 2230a_100000102301_100000737642 [0,2,0,0,0,0|1,0,0]=3 8246 B12R0.251 CCCCNCCCC(=O)N(C)C 2230a_200000744827_100000210211 [0,2,0,0,0,0|1,0,0]=3 8247 B12R0.251 CCCCNCCCC(=O)N(C)C 7a_106832991798_100000737642 [0,2,0,0,0,0|1,0,0]=3 8248 B12R0.251 CCCCOCCCC(=O)N(C)C 7a_100000210227_100000737642 [0,2,0,0,0,0|1,0,0]=3 8249 B12R0.251 CCCCOCNCC(=O)N(C)C 2230a_100015183351_100011995733 [0,2,0,0,0,0|2,0,0]=4 8250 B12R0.251 CCCCOCSCC(=O)N(C)C 62a_100000692301_100011995733 [0,2,0,0,0,0|2,0,0]=4 8251 B12R0.251 CCCCOCSCC(=O)N(C)C 62a_100011995733_100000692301 [0,2,0,0,0,0|2,0,0]=4 8252 B12R0.251 CCCCSCCCC(=O)N(C)C 62a_100000210211_100000737642 [0,2,0,0,0,0|1,0,0]=3 8253 B12R0.251 CCCCSCCCC(=O)N(C)C 62a_100000737642_100000210210 [0,2,0,0,0,0|1,0,0]=3 8254 B12R0.251 CCCCSCCNC(=O)C(O)O 240690a_100025743550_100000233687 [0,2,0,0,0,0|2,0,0]=4 8255 B12R0.251 CCCCSCCNC(=O)N(C)C 2708a_100025743550_100102631434 [0,2,0,0,0,0|2,0,0]=4 8256 B12R0.251 CCCCSCCNC(=O)[C@@H](C)O 240690a_100025743550_100000717761 [0,2,0,0,0,0|2,0,0]=4 8257 B12R0.251 CCCCSCCNC(=O)[C@H](C)O 1626a_100025743550_217856618621 [0,2,0,0,0,0|2,0,0]=4 8258 B12R0.251 CCCCSCCNC(=O)[C@H](C)O 240690a_100025743550_217856618621 [0,2,0,0,0,0|2,0,0]=4 8259 B12R0.251 CCCOCCCCC(=O)N(C)C 34a_100000210258_100000752486 [0,2,0,0,0,0|1,0,0]=3 8260 B12R0.251 CCCOCCCNC(=O)C(O)O 240690a_100011217757_100000233687 [0,2,0,0,0,0|2,0,0]=4 8261 B12R0.251 CCCOCCCNC(=O)N(C)C 2708a_100011217757_100102631434 [0,2,0,0,0,0|2,0,0]=4 8262 B12R0.251 CCCOCCCNC(=O)[C@@H](C)O 240690a_100011217757_100000717761 [0,2,0,0,0,0|2,0,0]=4 8263 B12R0.251 CCCOCCCNC(=O)[C@H](C)O 1626a_100011217757_217856618621 [0,2,0,0,0,0|2,0,0]=4 8264 B12R0.251 CCCOCCCNC(=O)[C@H](C)O 240690a_100011217757_217856618621 [0,2,0,0,0,0|2,0,0]=4 8265 B12R0.251 CCCOCCNCC(=O)N(C)C 2230a_100015183351_100011215938 [0,2,0,0,0,0|2,0,0]=4 8266 B12R0.251 CCCOCCNCC(=O)N(C)C 2230a_100161115042_100000185267 [0,2,0,0,0,0|2,0,0]=4 8267 B12R0.251 CCCOCCNCC(=O)N(C)C 34a_100161115042_100000692301 [0,2,0,0,0,0|2,0,0]=4 8268 B12R0.251 CCCOCCOCC(=O)N(C)C 34a_100000752267_100000692301 [0,2,0,0,0,0|2,0,0]=4 8269 B12R0.251 CCCOCCOCC(=O)N(C)C 7a_100000752267_100000692301 [0,2,0,0,0,0|2,0,0]=4 8270 B12R0.251 CCCOCCSCC(=O)N(C)C 62a_100000692301_100011215938 [0,2,0,0,0,0|2,0,0]=4 8271 B12R0.251 CCCOCCSCC(=O)N(C)C 62a_100011215938_100000692301 [0,2,0,0,0,0|2,0,0]=4 8272 B12R0.251 CCCSCCCCC(=O)N(C)C 62a_100000210303_100000752486 [0,2,0,0,0,0|1,0,0]=3 8273 B12R0.251 CCCSCCCCC(=O)N(C)C 62a_100000752486_100000210303 [0,2,0,0,0,0|1,0,0]=3 8274 B12R0.251 CCCSCCNCC(=O)N(C)C 2230a_100020603323_100000185267 [0,2,0,0,0,0|2,0,0]=4 8275 B12R0.251 CCCSCCOCC(=O)N(C)C 34a_200000230433_100000692301 [0,2,0,0,0,0|2,0,0]=4 8276 B12R0.251 CCCSCCOCC(=O)N(C)C 7a_200000230433_100000692301 [0,2,0,0,0,0|2,0,0]=4 8277 B12R0.251 CCOCCCNCC(=O)N(C)C 2230a_100000210961_100000185267 [0,2,0,0,0,0|2,0,0]=4 8278 B12R0.251 CCOCCCNCC(=O)N(C)C 2230a_100015183351_100012232248 [0,2,0,0,0,0|2,0,0]=4 8279 B12R0.251 CCOCCCNCC(=O)N(C)C 34a_100000210961_100000692301 [0,2,0,0,0,0|2,0,0]=4 8280 B12R0.251 CCOCCCOCC(=O)N(C)C 34a_100000757476_100000692301 [0,2,0,0,0,0|2,0,0]=4 8281 B12R0.251 CCOCCCOCC(=O)N(C)C 7a_100000757476_100000692301 [0,2,0,0,0,0|2,0,0]=4 8282 B12R0.251 CCOCCCSCC(=O)N(C)C 62a_100000692301_100012232248 [0,2,0,0,0,0|2,0,0]=4 8283 B12R0.251 CCOCCCSCC(=O)N(C)C 62a_100012232248_100000692301 [0,2,0,0,0,0|2,0,0]=4 8284 B12R0.251 CCOCCNCCC(=O)N(C)C 2230a_100000738053_100011215890 [0,2,0,0,0,0|2,0,0]=4 8285 B12R0.251 CCOCCNCCC(=O)N(C)C 2230a_102516460346_100000737620 [0,2,0,0,0,0|2,0,0]=4 8286 B12R0.251 CCOCCOCCC(=O)C(O)O 1458a_100000233687_100011211534 [0,2,0,0,0,0|2,0,0]=4 8287 B12R0.251 CCOCCOCCC(=O)N(C)C 34a_200000747469_100000210147 [0,2,0,0,0,0|2,0,0]=4 8288 B12R0.251 CCOCCOCCC(=O)N(C)C 7a_100000210136_100000737620 [0,2,0,0,0,0|2,0,0]=4 8289 B12R0.251 CCOCCOCCC(=O)[C@@H](C)O 1458a_100000717761_100011211534 [0,2,0,0,0,0|2,0,0]=4 8290 B12R0.251 CCOCCOCCC(=O)[C@H](C)O 1458a_217856618621_100011211534 [0,2,0,0,0,0|2,0,0]=4 8291 B12R0.251 CCOCCSCCC(=O)N(C)C 62a_100000210147_100000737620 [0,2,0,0,0,0|2,0,0]=4 8292 B12R0.251 CCOCCSCCC(=O)N(C)C 62a_100000737620_100011215890 [0,2,0,0,0,0|2,0,0]=4 8293 B12R0.251 CCOCSCCCC(=O)N(C)C 62a_100000737642_100000739092 [0,2,0,0,0,0|2,0,0]=4 8294 B12R0.251 CCOCSCCCC(=O)N(C)C 62a_100000739092_100000737642 [0,2,0,0,0,0|2,0,0]=4 8295 B12R0.251 CCSCCCOCC(=O)N(C)C 34a_100011216438_100000692301 [0,2,0,0,0,0|2,0,0]=4 8296 B12R0.251 CCSCCCOCC(=O)N(C)C 7a_100011216438_100000692301 [0,2,0,0,0,0|2,0,0]=4 8297 B12R0.251 CCSCCNCCC(=O)N(C)C 2230a_100000106463_100000737620 [0,2,0,0,0,0|2,0,0]=4 8298 B12R0.251 CCSCCNCCC(=O)N(C)C 2230a_100000738053_100000757381 [0,2,0,0,0,0|2,0,0]=4 8299 B12R0.251 CCSCCOCCC(=O)N(C)C 34a_200000747469_100000757381 [0,2,0,0,0,0|2,0,0]=4 8300 B12R0.251 CCSCCOCCC(=O)N(C)C 7a_100000212035_100000737620 [0,2,0,0,0,0|2,0,0]=4 8301 B12R0.251 CCSCCSCCC(=O)N(C)C 62a_100000737620_100000757381 [0,2,0,0,0,0|2,0,0]=4 8302 B12R0.251 CCSCCSCCC(=O)N(C)C 62a_100000757381_100000737620 [0,2,0,0,0,0|2,0,0]=4 8303 B12R0.251 CN(C)C(=O)CCCCCCCO 240690a_100102631434_100011219782 [0,2,0,0,0,0|1,0,0]=3 8304 B12R0.251 CN(C)C(=O)CCCCNCCF 34a_100000724931_100000752486 [0,2,0,0,0,0|2,0,0]=4 8305 B12R0.251 CN(C)C(=O)CCCCNCCO 34a_100016990907_100000752486 [0,2,0,0,0,0|2,0,0]=4 8306 B12R0.251 CN(C)C(=O)CCCCOCCBr 34a_100000211926_100000752486 [0,2,0,0,0,0|2,0,0]=4 8307 B12R0.251 CN(C)C(=O)CCCCOCCN 34a_100000210304_100000752486 [0,2,0,0,0,0|2,0,0]=4 8308 B12R0.251 CN(C)C(=O)CCCCSCCF 62a_100000752486_100011217306 [0,2,0,0,0,0|2,0,0]=4 8309 B12R0.251 CN(C)C(=O)CCCCSCCF 62a_100011217306_100000752486 [0,2,0,0,0,0|2,0,0]=4 8310 B12R0.251 CN(C)C(=O)CCCCSCCO 62a_100000211926_100000752486 [0,2,0,0,0,0|2,0,0]=4 8311 B12R0.251 CN(C)C(=O)CCCCSCCO 62a_100000752486_100000211926 [0,2,0,0,0,0|2,0,0]=4 8312 B12R0.251 CN(C)C(=O)CCCNCCCF 2230a_100015189416_100000737642 [0,2,0,0,0,0|2,0,0]=4 8313 B12R0.251 CN(C)C(=O)CCCNCCCF 2230a_200000744827_100011934791 [0,2,0,0,0,0|2,0,0]=4 8314 B12R0.251 CN(C)C(=O)CCCNCCCO 2230a_200000744827_100000230001 [0,2,0,0,0,0|2,0,0]=4 8315 B12R0.251 CN(C)C(=O)CCCSCCCF 62a_100000737642_100011934791 [0,2,0,0,0,0|2,0,0]=4 8316 B12R0.251 CN(C)C(=O)CCCSCCCF 62a_100011934791_100000737642 [0,2,0,0,0,0|2,0,0]=4 8317 B12R0.251 CN(C)C(=O)CCCSCCCO 62a_100000737642_100011215043 [0,2,0,0,0,0|2,0,0]=4 8318 B12R0.251 CN(C)C(=O)CCCSCCCO 62a_100011215043_100000737642 [0,2,0,0,0,0|2,0,0]=4 8319 B12R0.251 CN(C)C(=O)CCNCCCCF 2230a_100000738053_100000729493 [0,2,0,0,0,0|2,0,0]=4 8320 B12R0.251 CN(C)C(=O)CCNCCCCO 2230a_100000738053_100000210776 [0,2,0,0,0,0|2,0,0]=4 8321 B12R0.251 CN(C)C(=O)CCNCCCCO 2230a_100000750430_100000737620 [0,2,0,0,0,0|2,0,0]=4 8322 B12R0.251 CN(C)C(=O)CCOCCCCCl 7a_100000210776_100000737620 [0,2,0,0,0,0|2,0,0]=4 8323 B12R0.251 CN(C)C(=O)CCOCCCCF 34a_200000747469_100000729493 [0,2,0,0,0,0|2,0,0]=4 8324 B12R0.251 CN(C)C(=O)CCOCCCCF 7a_100011995726_100000737620 [0,2,0,0,0,0|2,0,0]=4 8325 B12R0.251 CN(C)C(=O)CCOCCCCO 34a_200000747469_100011216708 [0,2,0,0,0,0|2,0,0]=4 8326 B12R0.251 CN(C)C(=O)CCSCCCCF 62a_100000729493_100000737620 [0,2,0,0,0,0|2,0,0]=4 8327 B12R0.251 CN(C)C(=O)CCSCCCCF 62a_100000737620_100000729493 [0,2,0,0,0,0|2,0,0]=4 8328 B12R0.251 CN(C)C(=O)CCSCCCCO 62a_100000210776_100000737620 [0,2,0,0,0,0|2,0,0]=4 8329 B12R0.251 CN(C)C(=O)CCSCCCCO 62a_100000737620_100000210776 [0,2,0,0,0,0|2,0,0]=4 8330 B12R0.251 CN(C)C(=O)CNCCCCCF 2230a_100015183351_100000729378 [0,2,0,0,0,0|2,0,0]=4 8331 B12R0.251 CN(C)C(=O)CNCCCCCO 2230a_100000762737_100000185267 [0,2,0,0,0,0|2,0,0]=4 8332 B12R0.251 CN(C)C(=O)CNCCCCCO 2230a_100015183351_100000746330 [0,2,0,0,0,0|2,0,0]=4 8333 B12R0.251 CN(C)C(=O)CNCCCCCO 34a_100000762737_100000692301 [0,2,0,0,0,0|2,0,0]=4 8334 B12R0.251 CN(C)C(=O)COCCCCCBr 34a_100000746331_100000692301 [0,2,0,0,0,0|2,0,0]=4 8335 B12R0.251 CN(C)C(=O)COCCCCCBr 7a_100000746331_100000692301 [0,2,0,0,0,0|2,0,0]=4 8336 B12R0.251 CN(C)C(=O)COCCCCCCl 34a_100000746330_100000692301 [0,2,0,0,0,0|2,0,0]=4 8337 B12R0.251 CN(C)C(=O)COCCCCCCl 7a_100000746330_100000692301 [0,2,0,0,0,0|2,0,0]=4 8338 B12R0.251 CN(C)C(=O)COCCCCCI 34a_200012148887_100000692301 [0,2,0,0,0,0|2,0,0]=4 8339 B12R0.251 CN(C)C(=O)COCCCCCI 7a_200012148887_100000692301 [0,2,0,0,0,0|2,0,0]=4 8340 B12R0.251 CN(C)C(=O)COCCCCCN 34a_100000762737_100000692301 [0,2,0,0,0,0|2,0,0]=4 8341 B12R0.251 CN(C)C(=O)CSCCCCCF 62a_100000692301_100000729378 [0,2,0,0,0,0|2,0,0]=4 8342 B12R0.251 CN(C)C(=O)CSCCCCCF 62a_100000729378_100000692301 [0,2,0,0,0,0|2,0,0]=4 8343 B12R0.251 CN(C)C(=O)CSCCCCCO 62a_100000692301_100000746330 [0,2,0,0,0,0|2,0,0]=4 8344 B12R0.251 CN(C)C(=O)CSCCCCCO 62a_100000746330_100000692301 [0,2,0,0,0,0|2,0,0]=4 8345 B12R0.251 COCCCCCCC(=O)C(C)C 1458a_100000210198_100011998445 [0,2,0,0,0,0|2,0,0]=4 8346 B12R0.251 COCCCCCCC(=O)C(C)F 1458a_100000062450_100011998445 [0,2,0,0,0,0|2,0,0]=4 8347 B12R0.251 COCCCCCCC(=O)C(O)O 1458a_100000233687_100011998445 [0,2,0,0,0,0|1,0,0]=3 8348 B12R0.251 COCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100011998445 [0,2,0,0,0,0|1,0,0]=3 8349 B12R0.251 COCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100011998445 [0,2,0,0,0,0|1,0,0]=3 8350 B12R0.251 COCCCCCNC(=O)C(O)O 240690a_100000747528_100000233687 [0,2,0,0,0,0|2,0,0]=4 8351 B12R0.251 COCCCCCNC(=O)N(C)C 2708a_100000747528_100102631434 [0,2,0,0,0,0|2,0,0]=4 8352 B12R0.251 COCCCCCNC(=O)[C@@H](C)O 240690a_100000747528_100000717761 [0,2,0,0,0,0|2,0,0]=4 8353 B12R0.251 COCCCCCNC(=O)[C@H](C)O 1626a_100000747528_217856618621 [0,2,0,0,0,0|2,0,0]=4 8354 B12R0.251 COCCCCCNC(=O)[C@H](C)O 240690a_100000747528_217856618621 [0,2,0,0,0,0|2,0,0]=4 8355 B12R0.251 COCCCCNCC(=O)N(C)C 2230a_100015183351_100000730899 [0,2,0,0,0,0|2,0,0]=4 8356 B12R0.251 COCCCCOCC(=O)N(C)C 34a_100000740925_100000692301 [0,2,0,0,0,0|2,0,0]=4 8357 B12R0.251 COCCCCSCC(=O)N(C)C 62a_100000692301_100000730899 [0,2,0,0,0,0|2,0,0]=4 8358 B12R0.251 COCCCCSCC(=O)N(C)C 62a_100000730899_100000692301 [0,2,0,0,0,0|2,0,0]=4 8359 B12R0.251 COCCCNCCC(=O)N(C)C 2230a_100000738053_100000740836 [0,2,0,0,0,0|2,0,0]=4 8360 B12R0.251 COCCCOCCC(=O)N(C)C 34a_200000747469_100000740836 [0,2,0,0,0,0|2,0,0]=4 8361 B12R0.251 COCCCSCCC(=O)N(C)C 62a_100000709357_100000737620 [0,2,0,0,0,0|2,0,0]=4 8362 B12R0.251 COCCCSCCC(=O)N(C)C 62a_100000737620_100000709357 [0,2,0,0,0,0|2,0,0]=4 8363 B12R0.251 COCCNCCCC(=O)N(C)C 2230a_100000209980_100000737642 [0,2,0,0,0,0|2,0,0]=4 8364 B12R0.251 COCCNCCCC(=O)N(C)C 2230a_200000744827_100011201679 [0,2,0,0,0,0|2,0,0]=4 8365 B12R0.251 COCCOCCCC(=O)C(O)O 1458a_100000233687_100011216529 [0,2,0,0,0,0|2,0,0]=4 8366 B12R0.251 COCCOCCCC(=O)[C@@H](C)O 1458a_100000717761_100011216529 [0,2,0,0,0,0|2,0,0]=4 8367 B12R0.251 COCCOCCCC(=O)[C@H](C)O 1458a_217856618621_100011216529 [0,2,0,0,0,0|2,0,0]=4 8368 B12R0.251 COCCSCCCC(=O)N(C)C 62a_100000233755_100000737642 [0,2,0,0,0,0|2,0,0]=4 8369 B12R0.251 COCCSCCCC(=O)N(C)C 62a_100000737642_100000233755 [0,2,0,0,0,0|2,0,0]=4 8370 B12R0.251 COCSCCCCC(=O)N(C)C 62a_100000752486_100000766300 [0,2,0,0,0,0|2,0,0]=4 8371 B12R0.251 COCSCCCCC(=O)N(C)C 62a_100000766300_100000752486 [0,2,0,0,0,0|2,0,0]=4 8372 B12R0.251 CSCCCCOCC(=O)N(C)C 34a_100011217163_100000692301 [0,2,0,0,0,0|2,0,0]=4 8373 B12R0.251 CSCCCCOCC(=O)N(C)C 7a_100011217163_100000692301 [0,2,0,0,0,0|2,0,0]=4 8374 B12R0.251 CSCCCNCCC(=O)N(C)C 2230a_100000749238_100000737620 [0,2,0,0,0,0|2,0,0]=4 8375 B12R0.251 CSCCCOCCC(=O)N(C)C 7a_100000690336_100000737620 [0,2,0,0,0,0|2,0,0]=4 8376 B12R0.251 CSCCNCCCC(=O)N(C)C 2230a_100020590264_100000737642 [0,2,0,0,0,0|2,0,0]=4 8377 B12R0.251 CSCCNCCCC(=O)N(C)C 2230a_200000744827_100000751147 [0,2,0,0,0,0|2,0,0]=4 8378 B12R0.251 CSCCOCCCC(=O)N(C)C 7a_100000230434_100000737642 [0,2,0,0,0,0|2,0,0]=4 8379 B12R0.251 CSCCSCCCC(=O)N(C)C 62a_100000212216_100000737642 [0,2,0,0,0,0|2,0,0]=4 8380 B12R0.251 CSCCSCCCC(=O)N(C)C 62a_100000737642_100000751147 [0,2,0,0,0,0|2,0,0]=4 8381 B12R0.251 CSCSCCCCC(=O)N(C)C 62a_100000752486_100011218213 [0,2,0,0,0,0|2,0,0]=4 8382 B12R0.251 CSCSCCCCC(=O)N(C)C 62a_100011218213_100000752486 [0,2,0,0,0,0|2,0,0]=4 8383 B12R0.251 C[C@@H](O)C(=O)CCCCCCC#N 1458a_100000717761_100009813337 [0,2,0,0,0,0|1,0,1]=4 8384 B12R0.251 C[C@@H](O)C(=O)CCCCCCCO 1458a_100000717761_100000760002 [0,2,0,0,0,0|1,0,0]=3 8385 B12R0.251 C[C@@H](O)C(=O)NCCCCCCO 240690a_100000686447_100000717761 [0,2,0,0,0,0|2,0,0]=4 8386 B12R0.251 C[C@H](O)C(=O)CCCCCCC#N 1458a_217856618621_100009813337 [0,2,0,0,0,0|1,0,1]=4 8387 B12R0.251 C[C@H](O)C(=O)CCCCCCCO 1458a_217856618621_100000760002 [0,2,0,0,0,0|1,0,0]=3 8388 B12R0.251 C[C@H](O)C(=O)NCCCCCCO 240690a_100000686447_217856618621 [0,2,0,0,0,0|2,0,0]=4 8389 B12R0.251 N#CCCCCCCC(=O)C(O)O 1458a_100000233687_100009813337 [0,2,0,0,0,0|1,0,1]=4 8390 B12R0.251 O=C(CCCCCCCO)C(O)O 1458a_100000233687_100000760002 [0,2,0,0,0,0|1,0,0]=3 8391 B12R0.251 O=C(NCCCCCCO)C(O)O 240690a_100000686447_100000233687 [0,2,0,0,0,0|2,0,0]=4 8392 B12R0.312 CCCCCCCCS(=O)(=O)NC 270084a_100102657272_100011218563 [0,2,0,0,0,0|2,0,0]=4 8393 B12R0.312 CCCCCCCCS(=O)(=O)NC 274078a_100102657272_100011218563 [0,2,0,0,0,0|2,0,0]=4 8394 B12R0.312 CCCCCNCCS(=O)(=O)NC 2230a_100000710037_100000210326 [0,2,0,0,0,0|2,0,0]=4 8395 B12R0.312 CCCCCNCCS(=O)(=O)NC 34a_100000710037_100000718602 [0,2,0,0,0,0|2,0,0]=4 8396 B12R0.42 C=C(C)C(=O)CCCCCC(C)C 1458a_100000185857_100000210682 [0,2,0,0,0,0|2,0,0]=4 8397 B12R0.42 CC(C)CCCCCC(=O)C(C)C 1458a_100000210198_100000210682 [0,2,0,0,0,0|2,0,0]=4 8398 B12R0.42 CC(C)CCCCCC(=O)C(C)C 1458a_100000766313_100000210206 [0,2,0,0,0,0|2,0,0]=4 8399 B12R0.42 CC(C)CCCCCC(=O)C(C)F 1458a_100000062450_100000210682 [0,2,0,0,0,0|2,0,0]=4 8400 B12R0.42 CC(C)CCCCCC(=O)C(O)O 1458a_100000233687_100000210682 [0,2,0,0,0,0|1,0,0]=3 8401 B12R0.42 CC(C)CCCCCC(=O)N(C)C 11a_100102631434_100000766313 [0,2,0,0,0,0|1,0,0]=3 8402 B12R0.42 CC(C)CCCCCC(=O)N(C)C 1626a_100102631434_100000766313 [0,2,0,0,0,0|1,0,0]=3 8403 B12R0.42 CC(C)CCCCCC(=O)N(C)C 240690a_100102631434_100000766313 [0,2,0,0,0,0|1,0,0]=3 8404 B12R0.42 CC(C)CCCCCC(=O)N(C)C 527a_100102631434_100000766313 [0,2,0,0,0,0|1,0,0]=3 8405 B12R0.42 CC(C)CCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210682 [0,2,0,0,0,0|1,0,0]=3 8406 B12R0.42 CC(C)CCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210682 [0,2,0,0,0,0|1,0,0]=3 8407 B12R0.42 CC(C)CCCNCC(=O)N(C)C 2230a_100015183351_100011214892 [0,2,0,0,0,0|2,0,0]=4 8408 B12R0.42 CC(C)CCCNCC(=O)N(C)C 2230a_200000737386_100000185267 [0,2,0,0,0,0|2,0,0]=4 8409 B12R0.42 CC(C)CCCNCC(=O)N(C)C 34a_200000737386_100000692301 [0,2,0,0,0,0|2,0,0]=4 8410 B12R0.42 CC(C)CCCOCC(=O)N(C)C 34a_100000210774_100000692301 [0,2,0,0,0,0|2,0,0]=4 8411 B12R0.42 CC(C)CCCOCC(=O)N(C)C 7a_100000210774_100000692301 [0,2,0,0,0,0|2,0,0]=4 8412 B12R0.42 CC(C)CCCSCC(=O)N(C)C 62a_100000692301_100011214892 [0,2,0,0,0,0|2,0,0]=4 8413 B12R0.42 CC(C)CCCSCC(=O)N(C)C 62a_100011214892_100000692301 [0,2,0,0,0,0|2,0,0]=4 8414 B12R0.42 CC(C)CCNCCC(=O)N(C)C 2230a_100000738053_100000210312 [0,2,0,0,0,0|2,0,0]=4 8415 B12R0.42 CC(C)CCNCCC(=O)N(C)C 269862a_100000738053_100000185833 [0,2,0,0,0,0|2,0,0]=4 8416 B12R0.42 CC(C)CCOCCC(=O)N(C)C 34a_200000747469_100000210312 [0,2,0,0,0,0|2,0,0]=4 8417 B12R0.42 CC(C)CCOCCC(=O)N(C)C 7a_100000210254_100000737620 [0,2,0,0,0,0|2,0,0]=4 8418 B12R0.42 CC(C)CCSCCC(=O)N(C)C 62a_100000210312_100000737620 [0,2,0,0,0,0|2,0,0]=4 8419 B12R0.42 CC(C)CCSCCC(=O)N(C)C 62a_100000737620_100000210312 [0,2,0,0,0,0|2,0,0]=4 8420 B12R0.42 CC(C)CNCCCC(=O)N(C)C 2230a_100000210953_100000737642 [0,2,0,0,0,0|2,0,0]=4 8421 B12R0.42 CC(C)CNCCCC(=O)N(C)C 2230a_200000744827_100000210760 [0,2,0,0,0,0|2,0,0]=4 8422 B12R0.42 CC(C)CNCCCC(=O)N(C)C 270004a_200000744827_100000210432 [0,2,0,0,0,0|2,0,0]=4 8423 B12R0.42 CC(C)CSCCCC(=O)N(C)C 62a_100000210624_100000737642 [0,2,0,0,0,0|2,0,0]=4 8424 B12R0.42 CC(C)CSCCCC(=O)N(C)C 62a_100000737642_100000210760 [0,2,0,0,0,0|2,0,0]=4 8425 B12R0.42 CC(C)NCCCCC(=O)N(C)C 34a_100138425928_100000752486 [0,2,0,0,0,0|2,0,0]=4 8426 B12R0.42 CC(C)OCCCCC(=O)N(C)C 34a_100000212225_100000752486 [0,2,0,0,0,0|2,0,0]=4 8427 B12R0.42 CC(C)SCCCCC(=O)N(C)C 62a_100000210206_100000752486 [0,2,0,0,0,0|2,0,0]=4 8428 B12R0.42 CC(C)SCCCCC(=O)N(C)C 62a_100000752486_100000210206 [0,2,0,0,0,0|2,0,0]=4 8429 B12R0.42 CC(O)CCCNCC(=O)N(C)C 2230a_100015183351_200000718107 [0,2,0,0,0,0|2,0,0]=4 8430 B12R0.42 CC(O)CCCSCC(=O)N(C)C 62a_100000692301_200000718107 [0,2,0,0,0,0|2,0,0]=4 8431 B12R0.42 CC(O)CCCSCC(=O)N(C)C 62a_200000718107_100000692301 [0,2,0,0,0,0|2,0,0]=4 8432 B12R0.42 CC(O)CCNCCC(=O)N(C)C 2230a_100000738053_100012276601 [0,2,0,0,0,0|2,0,0]=4 8433 B12R0.42 CC(O)CCNCCC(=O)N(C)C 2230a_200000755665_100000737620 [0,2,0,0,0,0|2,0,0]=4 8434 B12R0.42 CC(O)CCOCCC(=O)N(C)C 34a_200000747469_100012276601 [0,2,0,0,0,0|2,0,0]=4 8435 B12R0.42 CC(O)CCSCCC(=O)N(C)C 62a_100000737620_100012276601 [0,2,0,0,0,0|2,0,0]=4 8436 B12R0.42 CC(O)CCSCCC(=O)N(C)C 62a_100012276601_100000737620 [0,2,0,0,0,0|2,0,0]=4 8437 B12R0.42 CC(O)CNCCCC(=O)N(C)C 2230a_100000210904_100000737642 [0,2,0,0,0,0|2,0,0]=4 8438 B12R0.42 CC(O)CNCCCC(=O)N(C)C 2230a_200000744827_100011218427 [0,2,0,0,0,0|2,0,0]=4 8439 B12R0.42 CC(O)CSCCCC(=O)N(C)C 62a_100000737642_100011218427 [0,2,0,0,0,0|2,0,0]=4 8440 B12R0.42 CC(O)CSCCCC(=O)N(C)C 62a_100011218427_100000737642 [0,2,0,0,0,0|2,0,0]=4 8441 B12R0.42 C[C@@H](O)CNCCCC(=O)N(C)C 2230a_200000744827_100009817552 [0,2,0,0,0,0|2,0,0]=4 8442 B12R0.42 C[C@@H](O)CSCCCC(=O)N(C)C 62a_100000737642_100009817552 [0,2,0,0,0,0|2,0,0]=4 8443 B12R0.42 C[C@@H](O)CSCCCC(=O)N(C)C 62a_100009817552_100000737642 [0,2,0,0,0,0|2,0,0]=4 8444 B12R0.46 C=C(C)C(=O)C(C)CCCCCC 1458a_100000185857_100011215978 [0,2,0,0,0,0|2,0,0]=4 8445 B12R0.46 CCCCCCC(=O)C(=O)N(C)C 1458a_100011218876_100000210757 [0,2,0,0,0,0|1,0,1]=4 8446 B12R0.46 CCCCCCC(C)C(=O)C(C)C 1458a_100000210198_100011215978 [0,2,0,0,0,0|2,0,0]=4 8447 B12R0.46 CCCCCCC(C)C(=O)C(C)F 1458a_100000062450_100011215978 [0,2,0,0,0,0|2,0,0]=4 8448 B12R0.46 CCCCCCC(C)C(=O)C(O)O 1458a_100000233687_100011215978 [0,2,0,0,0,0|1,0,0]=3 8449 B12R0.46 CCCCCCC(C)C(=O)[C@@H](C)O 1458a_100000717761_100011215978 [0,2,0,0,0,0|1,0,0]=3 8450 B12R0.46 CCCCCCC(C)C(=O)[C@H](C)O 1458a_217856618621_100011215978 [0,2,0,0,0,0|1,0,0]=3 8451 B12R0.46 CCCCCCC(O)C(=O)C(C)C 1458a_100011215828_100000210206 [0,2,0,0,0,0|2,0,0]=4 8452 B12R0.46 CCCCCCC(O)C(=O)N(C)C 240690a_100102631434_100011215828 [0,2,0,0,0,0|1,0,0]=3 8453 B12R0.46 CCCCCCN(C)C(=O)C(O)O 240690a_106256046315_100000233687 [0,2,0,0,0,0|2,0,0]=4 8454 B12R0.46 CCCCCCN(C)C(=O)[C@@H](C)O 240690a_106256046315_100000717761 [0,2,0,0,0,0|2,0,0]=4 8455 B12R0.46 CCCCCCN(C)C(=O)[C@H](C)O 1626a_106256046315_217856618621 [0,2,0,0,0,0|2,0,0]=4 8456 B12R0.46 CCCCCCN(C)C(=O)[C@H](C)O 240690a_106256046315_217856618621 [0,2,0,0,0,0|2,0,0]=4 8457 B12R0.46 CCCCCNC(C)C(=O)N(C)C 2230a_100000209983_100000209910 [0,2,0,0,0,0|2,0,0]=4 8458 B12R0.46 CCCCCN[C@@H](C)C(=O)N(C)C 2230a_100000697320_100000210326 [0,2,0,0,0,0|2,0,0]=4 8459 B12R0.46 CCCCCN[C@@H](C)C(=O)N(C)C 34a_100000697320_100000718602 [0,2,0,0,0,0|2,0,0]=4 8460 B12R0.46 CCCCCOC(C)C(=O)N(C)C 7a_100000210253_100000209910 [0,2,0,0,0,0|2,0,0]=4 8461 B12R0.46 CCCCCSC(C)C(=O)N(C)C 62a_100000209910_100000210326 [0,2,0,0,0,0|2,0,0]=4 8462 B12R0.46 CCCCCSC(C)C(=O)N(C)C 62a_100000210326_100000209910 [0,2,0,0,0,0|2,0,0]=4 8463 B12R0.48 CCCCC(=O)CCC(=O)N(C)C 1458a_100011200748_100000210211 [0,2,0,0,0,0|1,0,1]=4 8464 B12R0.48 CCCCC(C)CCC(=O)C(C)C 1458a_100000033779_100000210206 [0,2,0,0,0,0|2,0,0]=4 8465 B12R0.48 CCCCC(C)CCC(=O)N(C)C 11a_100102631434_100000033779 [0,2,0,0,0,0|1,0,0]=3 8466 B12R0.48 CCCCC(C)CCC(=O)N(C)C 1626a_100102631434_100000033779 [0,2,0,0,0,0|1,0,0]=3 8467 B12R0.48 CCCCC(C)CCC(=O)N(C)C 240690a_100102631434_100000033779 [0,2,0,0,0,0|1,0,0]=3 8468 B12R0.48 CCCCC(C)CCC(=O)N(C)C 527a_100102631434_100000033779 [0,2,0,0,0,0|1,0,0]=3 8469 B12R0.48 CCCCC(C)NCC(=O)N(C)C 2230a_100000126638_100000185267 [0,2,0,0,0,0|2,0,0]=4 8470 B12R0.48 CCCCC(C)NCC(=O)N(C)C 2230a_100015183351_200011215066 [0,2,0,0,0,0|2,0,0]=4 8471 B12R0.48 CCCCC(C)NCC(=O)N(C)C 270004a_100015183351_100000210087 [0,2,0,0,0,0|2,0,0]=4 8472 B12R0.48 CCCCC(C)OCC(=O)N(C)C 34a_100000687866_100000692301 [0,2,0,0,0,0|2,0,0]=4 8473 B12R0.48 CCCCC(C)OCC(=O)N(C)C 7a_100000687866_100000692301 [0,2,0,0,0,0|2,0,0]=4 8474 B12R0.48 CCCCC(C)SCC(=O)N(C)C 62a_100000692301_200011215066 [0,2,0,0,0,0|2,0,0]=4 8475 B12R0.48 CCCCC(C)SCC(=O)N(C)C 62a_200011215066_100000692301 [0,2,0,0,0,0|2,0,0]=4 8476 B12R0.48 CCCCN(C)CCC(=O)N(C)C 2230a_100000207549_100000737620 [0,2,0,0,0,0|2,0,0]=4 8477 B12R0.48 CCCCN(C)CCC(=O)N(C)C 269982a_100000207549_100000737620 [0,2,0,0,0,0|2,0,0]=4 8478 B12R0.123 CCCCCC(=O)CC(=O)C(O)O 1458a_100000233687_200012276598 [0,2,0,0,0,0|1,0,1]=4 8479 B12R0.123 CCCCCC(=O)CC(=O)N(C)C 1458a_100000212188_100000185267 [0,2,0,0,0,0|1,0,1]=4 8480 B12R0.123 CCCCCC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_200012276598 [0,2,0,0,0,0|1,0,1]=4 8481 B12R0.123 CCCCCC(=O)CC(=O)[C@H](C)O 1458a_217856618621_200012276598 [0,2,0,0,0,0|1,0,1]=4 8482 B12R0.123 CCCCCC(C)NC(=O)C(O)O 240690a_100000211957_100000233687 [0,2,0,0,0,0|2,0,0]=4 8483 B12R0.123 CCCCCC(C)NC(=O)N(C)C 2708a_100000211957_100102631434 [0,2,0,0,0,0|2,0,0]=4 8484 B12R0.123 CCCCCC(C)NC(=O)[C@@H](C)O 240690a_100000211957_100000717761 [0,2,0,0,0,0|2,0,0]=4 8485 B12R0.123 CCCCCC(C)NC(=O)[C@H](C)O 1626a_100000211957_217856618621 [0,2,0,0,0,0|2,0,0]=4 8486 B12R0.123 CCCCCC(C)NC(=O)[C@H](C)O 240690a_100000211957_217856618621 [0,2,0,0,0,0|2,0,0]=4 8487 B12R0.123 CCCCCN(C)CC(=O)N(C)C 2230a_100000185065_100000210326 [0,2,0,0,0,0|2,0,0]=4 8488 B12R0.123 CCCCCN(C)CC(=O)N(C)C 2230a_100000223495_100000185267 [0,2,0,0,0,0|2,0,0]=4 8489 B12R0.123 CCCCCN(C)CC(=O)N(C)C 269982a_100000223495_100000185267 [0,2,0,0,0,0|2,0,0]=4 8490 B12R0.186 CCC(=O)CCCCC(=O)N(C)C 1458a_100000210414_100000752486 [0,2,0,0,0,0|1,0,1]=4 8491 B12R0.186 CCC(C)CCNCC(=O)N(C)C 2230a_100020591266_100000185267 [0,2,0,0,0,0|2,0,0]=4 8492 B12R0.186 CCC(C)CCOCC(=O)N(C)C 7a_100011215188_100000692301 [0,2,0,0,0,0|2,0,0]=4 8493 B12R0.186 CCC(C)CNCCC(=O)N(C)C 2230a_100000738053_100000748023 [0,2,0,0,0,0|2,0,0]=4 8494 B12R0.186 CCC(C)CNCCC(=O)N(C)C 2230a_100020588543_100000737620 [0,2,0,0,0,0|2,0,0]=4 8495 B12R0.186 CCC(C)CNCCC(=O)N(C)C 270004a_100000738053_100000243153 [0,2,0,0,0,0|2,0,0]=4 8496 B12R0.186 CCC(C)COCCC(=O)N(C)C 34a_200000747469_100000748023 [0,2,0,0,0,0|2,0,0]=4 8497 B12R0.186 CCC(C)CSCCC(=O)N(C)C 62a_100000737620_100000748023 [0,2,0,0,0,0|2,0,0]=4 8498 B12R0.186 CCC(C)CSCCC(=O)N(C)C 62a_100000748023_100000737620 [0,2,0,0,0,0|2,0,0]=4 8499 B12R0.186 CCC(C)NCCCC(=O)N(C)C 2230a_100000209981_100000737642 [0,2,0,0,0,0|2,0,0]=4 8500 B12R0.186 CCC(C)NCCCC(=O)N(C)C 2230a_200000744827_100000758301 [0,2,0,0,0,0|2,0,0]=4 8501 B12R0.186 CCC(C)OCCCC(=O)N(C)C 7a_100000210228_100000737642 [0,2,0,0,0,0|2,0,0]=4 8502 B12R0.186 CCC(C)SCCCC(=O)N(C)C 62a_100000737642_100000758301 [0,2,0,0,0,0|2,0,0]=4 8503 B12R0.186 CCC(C)SCCCC(=O)N(C)C 62a_100000758301_100000737642 [0,2,0,0,0,0|2,0,0]=4 8504 B12R0.186 CCC(O)CNCCC(=O)N(C)C 2230a_100000738053_100011218378 [0,2,0,0,0,0|2,0,0]=4 8505 B12R0.186 CCC(O)CNCCC(=O)N(C)C 2230a_100011218483_100000737620 [0,2,0,0,0,0|2,0,0]=4 8506 B12R0.186 CCC(O)COCCC(=O)N(C)C 34a_200000747469_100011218378 [0,2,0,0,0,0|2,0,0]=4 8507 B12R0.186 CCC(O)CSCCC(=O)N(C)C 62a_100000737620_100011218378 [0,2,0,0,0,0|2,0,0]=4 8508 B12R0.186 CCC(O)CSCCC(=O)N(C)C 62a_100011218378_100000737620 [0,2,0,0,0,0|2,0,0]=4 8509 B12R0.186 CCN(C)CCCCC(=O)N(C)C 269982a_100000225621_100000752486 [0,2,0,0,0,0|2,0,0]=4 8510 B12R0.186 CC[C@H](C)CNCCC(=O)N(C)C 2230a_100000738053_100009816398 [0,2,0,0,0,0|2,0,0]=4 8511 B12R0.186 CC[C@H](C)COCCC(=O)N(C)C 34a_200000747469_100009816398 [0,2,0,0,0,0|2,0,0]=4 8512 B12R0.186 CC[C@H](C)COCCC(=O)N(C)C 7a_100009816381_100000737620 [0,2,0,0,0,0|2,0,0]=4 8513 B12R0.186 CC[C@H](C)CSCCC(=O)N(C)C 62a_100000737620_100009816398 [0,2,0,0,0,0|2,0,0]=4 8514 B12R0.186 CC[C@H](C)CSCCC(=O)N(C)C 62a_100009816398_100000737620 [0,2,0,0,0,0|2,0,0]=4 8515 B12R0.186 CNC(=O)CCCNC(C)C(C)C 2230a_100000211541_100000741757 [0,2,0,0,0,0|2,0,0]=4 8516 B12R0.186 CNC(=O)CCCOC(C)C(C)C 7a_100000748068_100000741757 [0,2,0,0,0,0|2,0,0]=4 8517 B12R0.186 CNC(=O)CCNCC(O)C(C)C 2230a_100000759067_100000737683 [0,2,0,0,0,0|2,0,0]=4 8518 B12R0.186 CNC(=O)CCNCC(O)C(C)C 34a_100000759067_100012179268 [0,2,0,0,0,0|2,0,0]=4 8519 B12R0.186 CNC(=O)CCOC[C@H](N)C(C)C 34a_100011830312_100012179268 [0,2,0,0,0,0|2,0,0]=4 8520 B12R0.186 CNC(=O)COCCC(N)C(C)C 34a_100161115045_100000183359 [0,2,0,0,0,0|2,0,0]=4 8521 B12R0.237 CC(C)(O)C(=O)CCCCCCF 1458a_100000242741_100015922095 [0,2,0,0,0,0|2,0,0]=4 8522 B12R0.237 CC(C)(O)C(=O)CCCCCCO 1458a_100000242741_100000766143 [0,2,0,0,0,0|2,0,0]=4 8523 B12R0.237 CCCCCCCC(=O)C(C)(C)C 1458a_106744555173_100000210614 [0,2,0,0,0,0|2,0,0]=4 8524 B12R0.237 CCCCCCCC(=O)C(C)(C)F 1458a_100000765255_100000210614 [0,2,0,0,0,0|2,0,0]=4 8525 B12R0.237 CCCCCCCC(=O)C(C)(C)O 1458a_100000242741_100000210614 [0,2,0,0,0,0|1,0,0]=3 8526 B12R0.237 CCCCCCCC(=O)C(F)(F)F 1458a_100000211969_200000243211 [0,2,0,0,0,0|2,0,0]=4 8527 B12R0.237 CCCCCCCC(=O)C(F)(F)F 1458a_100015355933_100000210614 [0,2,0,0,0,0|2,0,0]=4 8528 B12R0.237 CCCCCCNC(=O)C(C)(C)O 240690a_100000210581_100000242741 [0,2,0,0,0,0|2,0,0]=4 8529 B12R0.237 CCCCOCCC(=O)C(C)(C)O 1458a_100000242741_100000743108 [0,2,0,0,0,0|2,0,0]=4 8530 B12R0.279 CCCC(=O)CCCC(=O)N(C)C 1458a_100000211992_100000737642 [0,2,0,0,0,0|1,0,1]=4 8531 B12R0.279 CCCC(C)CNCC(=O)N(C)C 2230a_100015183351_100011216630 [0,2,0,0,0,0|2,0,0]=4 8532 B12R0.279 CCCC(C)CNCC(=O)N(C)C 270004a_100015183351_100000243154 [0,2,0,0,0,0|2,0,0]=4 8533 B12R0.279 CCCC(C)COCC(=O)N(C)C 34a_100000688023_100000692301 [0,2,0,0,0,0|2,0,0]=4 8534 B12R0.279 CCCC(C)COCC(=O)N(C)C 7a_100000688023_100000692301 [0,2,0,0,0,0|2,0,0]=4 8535 B12R0.279 CCCC(C)CSCC(=O)N(C)C 62a_100000692301_100011216630 [0,2,0,0,0,0|2,0,0]=4 8536 B12R0.279 CCCC(C)CSCC(=O)N(C)C 62a_100011216630_100000692301 [0,2,0,0,0,0|2,0,0]=4 8537 B12R0.279 CCCC(C)NCCC(=O)N(C)C 2230a_100000738053_100000766640 [0,2,0,0,0,0|2,0,0]=4 8538 B12R0.279 CCCC(C)NCCC(=O)N(C)C 2230a_100000741246_100000737620 [0,2,0,0,0,0|2,0,0]=4 8539 B12R0.279 CCCC(C)NCCC(=O)N(C)C 270004a_100000738053_100000211909 [0,2,0,0,0,0|2,0,0]=4 8540 B12R0.279 CCCC(C)OCCC(=O)N(C)C 34a_200000747469_100000766640 [0,2,0,0,0,0|2,0,0]=4 8541 B12R0.279 CCCC(C)OCCC(=O)N(C)C 7a_100000764384_100000737620 [0,2,0,0,0,0|2,0,0]=4 8542 B12R0.279 CCCC(C)SCCC(=O)N(C)C 62a_100000737620_100000766640 [0,2,0,0,0,0|2,0,0]=4 8543 B12R0.279 CCCC(C)SCCC(=O)N(C)C 62a_100000766640_100000737620 [0,2,0,0,0,0|2,0,0]=4 8544 B12R0.279 CCCN(C)CCCC(=O)N(C)C 2230a_100000747261_100000737642 [0,2,0,0,0,0|2,0,0]=4 8545 B12R0.279 CCCN(C)CCCC(=O)N(C)C 269982a_100000747261_100000737642 [0,2,0,0,0,0|2,0,0]=4 8546 B12R0.279 CCC[C@H](N)COCC(=O)N(C)C 34a_100000732646_100000692301 [0,2,0,0,0,0|2,0,0]=4 8547 B12R0.131 CCC(C)(C)COCCC(=O)NC 7a_100000765029_100000737683 [0,2,0,0,0,0|2,0,0]=4 8548 B12R0.131 CCC(C)(C)NCCCC(=O)NC 2230a_100000211385_100000741757 [0,2,0,0,0,0|2,0,0]=4 8549 B12R0.131 CCC(C)(C)OCCCC(=O)NC 7a_100000210230_100000741757 [0,2,0,0,0,0|2,0,0]=4 8550 B12R0.131 CCC(C)(C)SCCCC(=O)NC 62a_100000032637_100000741757 [0,2,0,0,0,0|2,0,0]=4 8551 B12R0.131 CCC(C)(C)SCCCC(=O)NC 62a_100000741757_100000032637 [0,2,0,0,0,0|2,0,0]=4 8552 B12R0.134 CCCCC(C)NC(C)C(=O)NC 2230a_100000126638_100000731044 [0,2,0,0,0,0|2,0,0]=4 8553 B12R0.134 CCCCC(C)NC(F)C(=O)NC 2230a_100000126638_100009813575 [0,2,0,0,0,0|2,0,0]=4 8554 B12R0.134 CCCCC(C)N[C@H](C)C(=O)NC 2230a_100000684985_200011215066 [0,2,0,0,0,0|2,0,0]=4 8555 B12R0.134 CCCCC(C)N[C@H](C)C(=O)NC 34a_100000684985_200011215066 [0,2,0,0,0,0|2,0,0]=4 8556 B12R0.134 CCCCC(C)OC(C)C(=O)NC 34a_100000687866_100000731044 [0,2,0,0,0,0|2,0,0]=4 8557 B12R0.134 CCCCC(C)OC(C)C(=O)NC 7a_100000687866_100000209862 [0,2,0,0,0,0|2,0,0]=4 8558 B12R0.134 CCCCC(C)OC(C)C(=O)NN 34a_100000725659_200011215066 [0,2,0,0,0,0|2,0,0]=4 8559 B12R0.134 CCCCC(C)OC(F)C(=O)NC 34a_100000687866_100009813575 [0,2,0,0,0,0|2,0,0]=4 8560 B12R0.134 CCCCC(C)OC(F)C(=O)NC 7a_100000687866_100009813575 [0,2,0,0,0,0|2,0,0]=4 8561 B12R0.134 CCCCC(C)SC(C)C(=O)NC 62a_100000209862_200011215066 [0,2,0,0,0,0|2,0,0]=4 8562 B12R0.134 CCCCC(C)SC(C)C(=O)NC 62a_200011215066_100000731044 [0,2,0,0,0,0|2,0,0]=4 8563 B12R0.134 CCCCC(C)SC(F)C(=O)NC 62a_100009813575_200011215066 [0,2,0,0,0,0|2,0,0]=4 8564 B12R0.134 CCCCC(C)SC(F)C(=O)NC 62a_200011215066_100009813575 [0,2,0,0,0,0|2,0,0]=4 8565 B12R0.147 CCC(C)CC(=O)CCC(=O)NC 1458a_100011309844_100000748023 [0,2,0,0,0,0|1,0,1]=4 8566 B12R0.147 CCC(C)CC(C)NCC(=O)NC 2230a_100000763565_100000183359 [0,2,0,0,0,0|2,0,0]=4 8567 B12R0.147 CCC(C)CC(C)NCC(=O)NC 270004a_100000693194_100011710205 [0,2,0,0,0,0|2,0,0]=4 8568 B12R0.147 CCC(C)CCC(=O)CC(=O)NC 1458a_100000701222_100000183359 [0,2,0,0,0,0|1,0,1]=4 8569 B12R0.147 CCC(C)CN(C)CCC(=O)NC 2230a_100000750875_100000748023 [0,2,0,0,0,0|2,0,0]=4 8570 B12R0.147 CCC(C)CN(C)CCC(=O)NC 2230a_100000753921_100000737683 [0,2,0,0,0,0|2,0,0]=4 8571 B12R0.147 CCC(C)CN(C)CCC(=O)NC 269982a_100000750875_100000748023 [0,2,0,0,0,0|2,0,0]=4 8572 B12R0.147 CCC(C)CN(C)CCC(=O)NC 269982a_100000753921_100000737683 [0,2,0,0,0,0|2,0,0]=4 8573 B12R0.147 CCC(C)CN(C)CCC(=O)NC 270004a_100000750875_100000243153 [0,2,0,0,0,0|2,0,0]=4 8574 B12R0.147 CCC(O)CC(=O)CCC(=O)NC 1458a_100011309844_100011218378 [0,2,0,0,0,0|1,0,1]=4 8575 B12R0.147 CCC(O)CN(C)CCC(=O)NC 2230a_100000750875_100011218378 [0,2,0,0,0,0|2,0,0]=4 8576 B12R0.147 CCC(O)CN(C)CCC(=O)NC 269982a_100000750875_100011218378 [0,2,0,0,0,0|2,0,0]=4 8577 B12R0.147 CC[C@H](C)CC(=O)CCC(=O)NC 1458a_100011309844_100009816398 [0,2,0,0,0,0|1,0,1]=4 8578 B12R0.147 CC[C@H](C)CN(C)CCC(=O)NC 2230a_100000750875_100009816398 [0,2,0,0,0,0|2,0,0]=4 8579 B12R0.147 CC[C@H](C)CN(C)CCC(=O)NC 269982a_100000750875_100009816398 [0,2,0,0,0,0|2,0,0]=4 8580 B12R0.189 CNC(=O)CCC(=O)CCC(C)C 1458a_100011309844_100000210312 [0,2,0,0,0,0|1,0,1]=4 8581 B12R0.189 CNC(=O)CCC(=O)CCC(C)O 1458a_100011309844_100012276601 [0,2,0,0,0,0|1,0,1]=4 8582 B12R0.189 CNC(=O)CCN(C)CCC(C)C 2230a_100000742789_100000737683 [0,2,0,0,0,0|2,0,0]=4 8583 B12R0.189 CNC(=O)CCN(C)CCC(C)C 2230a_100000750875_100000210312 [0,2,0,0,0,0|2,0,0]=4 8584 B12R0.189 CNC(=O)CCN(C)CCC(C)C 269982a_100000742789_100000737683 [0,2,0,0,0,0|2,0,0]=4 8585 B12R0.189 CNC(=O)CCN(C)CCC(C)C 269982a_100000750875_100000210312 [0,2,0,0,0,0|2,0,0]=4 8586 B12R0.189 CNC(=O)CCN(C)CCC(C)O 2230a_100000750875_100012276601 [0,2,0,0,0,0|2,0,0]=4 8587 B12R0.189 CNC(=O)CCN(C)CCC(C)O 269982a_100000750875_100012276601 [0,2,0,0,0,0|2,0,0]=4 8588 B12R0.189 CNC(=O)CNC(C)CCC(C)C 2230a_100000693194_100011261404 [0,2,0,0,0,0|2,0,0]=4 8589 B12R0.189 CNC(=O)CNC(C)CCC(C)C 2230a_100138410893_100000183359 [0,2,0,0,0,0|2,0,0]=4 8590 B12R0.189 CNC(=O)CNC(C)CCC(C)C 270004a_100000693194_100000210476 [0,2,0,0,0,0|2,0,0]=4 8591 B12R0.189 CNC(=O)COC(C)CCC(C)C 34a_100000750040_100011261404 [0,2,0,0,0,0|2,0,0]=4 8592 B12R0.189 CNC(=O)COC(C)CCC(C)C 34a_100011215350_100000183359 [0,2,0,0,0,0|2,0,0]=4 8593 B12R0.189 CNC(=O)COC(C)CCC(C)C 7a_100011215350_100000183359 [0,2,0,0,0,0|2,0,0]=4 8594 B12R0.189 CNC(=O)CSC(C)CCC(C)C 62a_100000183359_100011261404 [0,2,0,0,0,0|2,0,0]=4 8595 B12R0.189 CNC(=O)CSC(C)CCC(C)C 62a_100011261404_100000183359 [0,2,0,0,0,0|2,0,0]=4 8596 B12R0.193 CCCC(C)C(=O)CCC(=O)NC 1458a_100011309844_100000766640 [0,2,0,0,0,0|1,0,1]=4 8597 B12R0.193 CCCC(C)C(C)NCC(=O)NC 270004a_100000693194_100011216282 [0,2,0,0,0,0|2,0,0]=4 8598 B12R0.193 CCCC(C)C(C)OCC(=O)NC 34a_100000708338_100000183359 [0,2,0,0,0,0|2,0,0]=4 8599 B12R0.193 CCCC(C)C(C)OCC(=O)NC 7a_100000708338_100000183359 [0,2,0,0,0,0|2,0,0]=4 8600 B12R0.193 CCCC(C)N(C)CCC(=O)NC 2230a_100000750875_100000766640 [0,2,0,0,0,0|2,0,0]=4 8601 B12R0.193 CCCC(C)N(C)CCC(=O)NC 269982a_100000750875_100000766640 [0,2,0,0,0,0|2,0,0]=4 8602 B12R0.193 CCCC(C)N(C)CCC(=O)NC 270004a_100000750875_100000211909 [0,2,0,0,0,0|2,0,0]=4 8603 B12R0.216 C#CC(CCCC)OCC(=O)NC 34a_200011217967_100000183359 [0,2,0,0,0,0|2,0,0]=4 8604 B12R0.216 C#CC(CCCC)OCC(=O)NC 7a_200011217967_100000183359 [0,2,0,0,0,0|2,0,0]=4 8605 B12R0.216 C=CC(CCCC)OCC(=O)NC 34a_200011215037_100000183359 [0,2,0,0,0,0|2,0,0]=4 8606 B12R0.216 C=CC(CCCC)OCC(=O)NC 7a_200011215037_100000183359 [0,2,0,0,0,0|2,0,0]=4 8607 B12R0.216 CCCCC(CC)CCC(=O)CC 1458a_100011216959_100000210202 [0,2,0,0,0,0|2,0,0]=4 8608 B12R0.216 CCCCC(CC)CCC(=O)CF 1458a_100011216959_100015361967 [0,2,0,0,0,0|2,0,0]=4 8609 B12R0.216 CCCCC(CC)CCC(=O)NC 11a_106832991635_100011216959 [0,2,0,0,0,0|1,0,0]=3 8610 B12R0.216 CCCCC(CC)CCC(=O)NC 1626a_100102657272_100011216959 [0,2,0,0,0,0|1,0,0]=3 8611 B12R0.216 CCCCC(CC)CCC(=O)NC 240690a_100102657272_100011216959 [0,2,0,0,0,0|1,0,0]=3 8612 B12R0.216 CCCCC(CC)CCC(=O)NC 527a_100102657272_100011216959 [0,2,0,0,0,0|1,0,0]=3 8613 B12R0.216 CCCCC(CC)CNC(=O)CO 240690a_100000209976_100000210174 [0,2,0,0,0,0|2,0,0]=4 8614 B12R0.216 CCCCC(CC)CNC(=O)CO 527a_100000209976_100000210174 [0,2,0,0,0,0|2,0,0]=4 8615 B12R0.216 CCCCC(CC)CNC(=O)NC 2708a_100000209976_106832991635 [0,2,0,0,0,0|2,0,0]=4 8616 B12R0.216 CCCCC(CC)CNC(=O)NC 2708a_100102657272_100000209976 [0,2,0,0,0,0|2,0,0]=4 8617 B12R0.216 CCCCC(CC)CNC(=O)NC 273464a_100000209976_100102657272 [0,2,0,0,0,0|2,0,0]=4 8618 B12R0.216 CCCCC(CC)CNC(=O)NC 273464a_100102657272_100000209976 [0,2,0,0,0,0|2,0,0]=4 8619 B12R0.216 CCCCC(CC)CNC(=O)NC 512a_100000209976_100102657272 [0,2,0,0,0,0|2,0,0]=4 8620 B12R0.216 CCCCC(CC)CNC(=O)NC 512a_106832991638_100000209976 [0,2,0,0,0,0|2,0,0]=4 8621 B12R0.216 CCCCC(CC)NCC(=O)NC 270004a_100000693194_100000753412 [0,2,0,0,0,0|2,0,0]=4 8622 B12R0.216 CCCCC(CC)OCC(=O)NC 34a_100000750040_200011216223 [0,2,0,0,0,0|2,0,0]=4 8623 B12R0.216 CCCCC(CC)OCC(=O)NC 34a_100011215227_100000183359 [0,2,0,0,0,0|2,0,0]=4 8624 B12R0.216 CCCCC(CC)OCC(=O)NC 7a_100011215227_100000183359 [0,2,0,0,0,0|2,0,0]=4 8625 B12R0.216 CCCCC(CC)SCC(=O)NC 62a_100000183359_200011216223 [0,2,0,0,0,0|2,0,0]=4 8626 B12R0.216 CCCCC(CC)SCC(=O)NC 62a_200011216223_100000183359 [0,2,0,0,0,0|2,0,0]=4 8627 B12R0.216 CCCCN(CC)CCC(=O)NC 2230a_100000207695_100000737683 [0,2,0,0,0,0|2,0,0]=4 8628 B12R0.216 CCCCN(CC)CCC(=O)NC 269982a_100000207695_100000737683 [0,2,0,0,0,0|2,0,0]=4 8629 B12R0.216 CCCC[C@@H](CO)NCC(=O)NC 2230a_100011934283_100000183359 [0,2,0,0,0,0|2,0,0]=4 8630 B12R0.216 CCCC[C@@H](CO)NCC(=O)NC 34a_100011934283_100000183359 [0,2,0,0,0,0|2,0,0]=4 8631 B12R0.252 CCCCC(C)C(=O)CC(=O)NC 1458a_100000725509_100000183359 [0,2,0,0,0,0|1,0,1]=4 8632 B12R0.252 CCCCC(C)N(C)CC(=O)NC 2230a_100000189611_200011215066 [0,2,0,0,0,0|2,0,0]=4 8633 B12R0.252 CCCCC(C)N(C)CC(=O)NC 270004a_100000189611_100000210087 [0,2,0,0,0,0|2,0,0]=4 8634 B12R0.252 CCCCC(O)C(=O)CC(=O)NC 1458a_100000720857_100000183359 [0,2,0,0,0,0|1,0,1]=4 8635 B12R0.252 CCCCN(C)C(C)CC(=O)NC 2230a_100015186911_100000210211 [0,2,0,0,0,0|2,0,0]=4 8636 B12R0.252 CCCCN(C)C(C)CC(=O)NC 269982a_100015186911_100000210211 [0,2,0,0,0,0|2,0,0]=4 8637 B12R0.328 CCCCC(C)(C)OCC(=O)NC 7a_100011219641_100000183359 [0,2,0,0,0,0|2,0,0]=4 8638 B12R0.130 C#CC(CC)OCCCC(=O)NC 34a_100000758843_100000741757 [0,2,0,0,0,0|2,0,0]=4 8639 B12R0.130 C#CC(CC)OCCCC(=O)NC 7a_100000758843_100000741757 [0,2,0,0,0,0|2,0,0]=4 8640 B12R0.130 C=CC(CC)OCCCC(=O)NC 34a_100000766422_100000741757 [0,2,0,0,0,0|2,0,0]=4 8641 B12R0.130 C=CC(CC)OCCCC(=O)NC 7a_100000766422_100000741757 [0,2,0,0,0,0|2,0,0]=4 8642 B12R0.130 CCC(CC)CNCCC(=O)NC 2230a_100000738227_100011215472 [0,2,0,0,0,0|2,0,0]=4 8643 B12R0.130 CCC(CC)CNCCC(=O)NC 2230a_100102946423_100000737683 [0,2,0,0,0,0|2,0,0]=4 8644 B12R0.130 CCC(CC)CNCCC(=O)NC 269862a_100000738227_100000211137 [0,2,0,0,0,0|2,0,0]=4 8645 B12R0.130 CCC(CC)CNCCC(=O)NC 270004a_100000738227_100000211137 [0,2,0,0,0,0|2,0,0]=4 8646 B12R0.130 CCC(CC)CNCCC(=O)NC 34a_100000738227_100011215472 [0,2,0,0,0,0|2,0,0]=4 8647 B12R0.130 CCC(CC)COCCC(=O)NC 34a_100000754576_100011215472 [0,2,0,0,0,0|2,0,0]=4 8648 B12R0.130 CCC(CC)COCCC(=O)NC 7a_100000703878_100000737683 [0,2,0,0,0,0|2,0,0]=4 8649 B12R0.130 CCC(CC)CSCCC(=O)NC 62a_100000737683_100011215472 [0,2,0,0,0,0|2,0,0]=4 8650 B12R0.130 CCC(CC)CSCCC(=O)NC 62a_100011215472_100000737683 [0,2,0,0,0,0|2,0,0]=4 8651 B12R0.130 CCC(CC)NCCCC(=O)NC 2230a_100000199018_100000741757 [0,2,0,0,0,0|2,0,0]=4 8652 B12R0.130 CCC(CC)NCCCC(=O)NC 270004a_100000740002_100000210860 [0,2,0,0,0,0|2,0,0]=4 8653 B12R0.130 CCC(CC)OCCCC(=O)NC 7a_100000688536_100000741757 [0,2,0,0,0,0|2,0,0]=4 8654 B12R0.130 CCC(CC)SCCCC(=O)NC 62a_100000210505_100000741757 [0,2,0,0,0,0|2,0,0]=4 8655 B12R0.130 CCC(CC)SCCCC(=O)NC 62a_100000741757_100000210505 [0,2,0,0,0,0|2,0,0]=4 8656 B12R0.130 CCC(COCCC(=O)NC)OC 34a_100011934954_100012179268 [0,2,0,0,0,0|2,0,0]=4 8657 B12R0.130 CCC(COCCC(=O)NC)OC 7a_100011934954_100000737683 [0,2,0,0,0,0|2,0,0]=4 8658 B12R0.130 CC[C@@H](CO)NCCCC(=O)NC 2230a_100000709445_100000741757 [0,2,0,0,0,0|2,0,0]=4 8659 B12R0.156 CCC(C)C(=O)CCCC(=O)NC 1458a_100011192722_100000741757 [0,2,0,0,0,0|1,0,1]=4 8660 B12R0.156 CCC(C)C(C)NCCC(=O)NC 269862a_100000738227_100000210599 [0,2,0,0,0,0|2,0,0]=4 8661 B12R0.156 CCC(C)C(C)NCCC(=O)NC 270004a_100000738227_100000210599 [0,2,0,0,0,0|2,0,0]=4 8662 B12R0.156 CCC(C)C(C)OCCC(=O)NC 7a_100011215189_100000737683 [0,2,0,0,0,0|2,0,0]=4 8663 B12R0.156 CCC(C)CCNC(C)C(=O)NC 2230a_100020591266_100000731044 [0,2,0,0,0,0|2,0,0]=4 8664 B12R0.156 CCC(C)CCNC(F)C(=O)NC 2230a_100020591266_100009813575 [0,2,0,0,0,0|2,0,0]=4 8665 B12R0.156 CCC(C)CCOC(C)C(=O)NC 7a_100011215188_100000209862 [0,2,0,0,0,0|2,0,0]=4 8666 B12R0.156 CCC(C)CCOC(F)C(=O)NC 7a_100011215188_100009813575 [0,2,0,0,0,0|2,0,0]=4 8667 B12R0.156 CCC(C)CNCC(C)C(=O)NC 2230a_100015187722_100000748023 [0,2,0,0,0,0|2,0,0]=4 8668 B12R0.156 CCC(C)CNCC(C)C(=O)NC 270004a_100015187722_100000243153 [0,2,0,0,0,0|2,0,0]=4 8669 B12R0.156 CCC(C)CNCC(C)C(=O)NC 34a_100015187722_100000748023 [0,2,0,0,0,0|2,0,0]=4 8670 B12R0.156 CCC(C)COCC(N)C(=O)NN 34a_100016989258_100000748023 [0,2,0,0,0,0|2,0,0]=4 8671 B12R0.156 CCC(C)N(C)CCCC(=O)NC 2230a_100000741768_100000741757 [0,2,0,0,0,0|2,0,0]=4 8672 B12R0.156 CCC(C)N(C)CCCC(=O)NC 269982a_100000741768_100000741757 [0,2,0,0,0,0|2,0,0]=4 8673 B12R0.156 CCC(O)C(=O)CCCC(=O)NC 1458a_100011196387_100000741757 [0,2,0,0,0,0|1,0,1]=4 8674 B12R0.156 CCC(O)CNCC(C)C(=O)NC 2230a_100015187722_100011218378 [0,2,0,0,0,0|2,0,0]=4 8675 B12R0.156 CCC(O)CNCC(C)C(=O)NC 34a_100015187722_100011218378 [0,2,0,0,0,0|2,0,0]=4 8676 B12R0.156 CCC(O)COCC(N)C(=O)NN 34a_100016989258_100011218378 [0,2,0,0,0,0|2,0,0]=4 8677 B12R0.156 CC[C@H](C)CNCC(C)C(=O)NC 2230a_100015187722_100009816398 [0,2,0,0,0,0|2,0,0]=4 8678 B12R0.156 CC[C@H](C)CNCC(C)C(=O)NC 34a_100015187722_100009816398 [0,2,0,0,0,0|2,0,0]=4 8679 B12R0.156 CC[C@H](C)COCC(N)C(=O)NN 34a_100016989258_100009816398 [0,2,0,0,0,0|2,0,0]=4 8680 B12R0.86 CC(C)CCCOC(C)C(=O)NN 34a_100000725659_100011214892 [0,2,0,0,0,0|2,0,0]=4 8681 B12R0.86 CC(C)CCOCC(N)C(=O)NN 34a_100016989258_100000210312 [0,2,0,0,0,0|2,0,0]=4 8682 B12R0.86 CC(O)CCCOC(C)C(=O)NN 34a_100000725659_200000718107 [0,2,0,0,0,0|2,0,0]=4 8683 B12R0.86 CC(O)CCOCC(N)C(=O)NN 34a_100016989258_100012276601 [0,2,0,0,0,0|2,0,0]=4 8684 B12R0.86 CNC(=O)C(=O)CCCCC(C)C 1458a_100011218921_100011216152 [0,2,0,0,0,0|1,0,1]=4 8685 B12R0.86 CNC(=O)C(C)CNCCC(C)C 2230a_100015187722_100000210312 [0,2,0,0,0,0|2,0,0]=4 8686 B12R0.86 CNC(=O)C(C)CNCCC(C)C 269862a_100015187722_100000185833 [0,2,0,0,0,0|2,0,0]=4 8687 B12R0.86 CNC(=O)C(C)CNCCC(C)C 34a_100015187722_100000210312 [0,2,0,0,0,0|2,0,0]=4 8688 B12R0.86 CNC(=O)C(C)CNCCC(C)O 2230a_100015187722_100012276601 [0,2,0,0,0,0|2,0,0]=4 8689 B12R0.86 CNC(=O)C(C)CNCCC(C)O 34a_100015187722_100012276601 [0,2,0,0,0,0|2,0,0]=4 8690 B12R0.86 CNC(=O)C(C)NCCCC(C)C 2230a_200000737386_100000731044 [0,2,0,0,0,0|2,0,0]=4 8691 B12R0.86 CNC(=O)C(C)NCCCC(C)C 34a_200000737386_100000731044 [0,2,0,0,0,0|2,0,0]=4 8692 B12R0.86 CNC(=O)C(C)OCCCC(C)C 34a_100000210774_100000731044 [0,2,0,0,0,0|2,0,0]=4 8693 B12R0.86 CNC(=O)C(C)OCCCC(C)C 7a_100000210774_100000209862 [0,2,0,0,0,0|2,0,0]=4 8694 B12R0.86 CNC(=O)C(C)SCCCC(C)C 62a_100000209862_100011214892 [0,2,0,0,0,0|2,0,0]=4 8695 B12R0.86 CNC(=O)C(C)SCCCC(C)C 62a_100011214892_100000731044 [0,2,0,0,0,0|2,0,0]=4 8696 B12R0.86 CNC(=O)C(C)SCCCC(C)O 62a_100000209862_200000718107 [0,2,0,0,0,0|2,0,0]=4 8697 B12R0.86 CNC(=O)C(C)SCCCC(C)O 62a_200000718107_100000731044 [0,2,0,0,0,0|2,0,0]=4 8698 B12R0.86 CNC(=O)C(F)NCCCC(C)C 2230a_200000737386_100009813575 [0,2,0,0,0,0|2,0,0]=4 8699 B12R0.86 CNC(=O)C(F)NCCCC(C)C 34a_200000737386_100009813575 [0,2,0,0,0,0|2,0,0]=4 8700 B12R0.86 CNC(=O)C(F)OCCCC(C)C 34a_100000210774_100009813575 [0,2,0,0,0,0|2,0,0]=4 8701 B12R0.86 CNC(=O)C(F)OCCCC(C)C 7a_100000210774_100009813575 [0,2,0,0,0,0|2,0,0]=4 8702 B12R0.86 CNC(=O)C(F)SCCCC(C)C 62a_100009813575_100011214892 [0,2,0,0,0,0|2,0,0]=4 8703 B12R0.86 CNC(=O)C(F)SCCCC(C)C 62a_100011214892_100009813575 [0,2,0,0,0,0|2,0,0]=4 8704 B12R0.86 CNC(=O)C(F)SCCCC(C)O 62a_100009813575_200000718107 [0,2,0,0,0,0|2,0,0]=4 8705 B12R0.86 CNC(=O)C(F)SCCCC(C)O 62a_200000718107_100009813575 [0,2,0,0,0,0|2,0,0]=4 8706 B12R0.86 CNC(=O)[C@@H](C)NCCCC(C)C 2230a_100000684985_100011214892 [0,2,0,0,0,0|2,0,0]=4 8707 B12R0.86 CNC(=O)[C@@H](C)NCCCC(C)C 34a_100000684985_100011214892 [0,2,0,0,0,0|2,0,0]=4 8708 B12R0.86 CNC(=O)[C@@H](C)NCCCC(C)O 2230a_100000684985_200000718107 [0,2,0,0,0,0|2,0,0]=4 8709 B12R0.86 CNC(=O)[C@@H](C)NCCCC(C)O 34a_100000684985_200000718107 [0,2,0,0,0,0|2,0,0]=4 8710 B12R0.150 CC(C)(C)CCCCCC(=O)CF 1458a_100012017116_100015361967 [0,2,0,0,0,0|2,0,0]=4 8711 B12R0.150 CC(C)(C)COCCCC(=O)NN 34a_100000211488_100011219605 [0,2,0,0,0,0|2,0,0]=4 8712 B12R0.150 CC(C)(F)COCCCC(=O)NN 34a_100000211488_100011997219 [0,2,0,0,0,0|2,0,0]=4 8713 B12R0.150 CC(C)(O)COCCCC(=O)NN 34a_100000211488_100000764493 [0,2,0,0,0,0|2,0,0]=4 8714 B12R0.150 CCC(=O)CCCCCC(C)(C)C 1458a_100012017116_100000210202 [0,2,0,0,0,0|2,0,0]=4 8715 B12R0.150 CNC(=O)CCCCCC(C)(C)C 11a_106832991635_100012017116 [0,2,0,0,0,0|1,0,0]=3 8716 B12R0.150 CNC(=O)CCCCCC(C)(C)C 1626a_100102657272_100012017116 [0,2,0,0,0,0|1,0,0]=3 8717 B12R0.150 CNC(=O)CCCCCC(C)(C)C 240690a_100102657272_100012017116 [0,2,0,0,0,0|1,0,0]=3 8718 B12R0.150 CNC(=O)CCCCCC(C)(C)C 527a_100102657272_100012017116 [0,2,0,0,0,0|1,0,0]=3 8719 B12R0.150 CNC(=O)CCCNCC(C)(C)C 2230a_100000743828_100000741757 [0,2,0,0,0,0|2,0,0]=4 8720 B12R0.150 CNC(=O)CCCNCC(C)(C)C 270004a_100000740002_100011204126 [0,2,0,0,0,0|2,0,0]=4 8721 B12R0.150 CNC(=O)CCCNCC(C)(C)C 34a_100000740002_100011219605 [0,2,0,0,0,0|2,0,0]=4 8722 B12R0.150 CNC(=O)CCCNCC(C)(C)F 2230a_100020643315_100000741757 [0,2,0,0,0,0|2,0,0]=4 8723 B12R0.150 CNC(=O)CCCNCC(C)(C)F 34a_100000740002_100011997219 [0,2,0,0,0,0|2,0,0]=4 8724 B12R0.150 CNC(=O)CCCNCC(C)(C)O 2230a_100000751335_100000741757 [0,2,0,0,0,0|2,0,0]=4 8725 B12R0.150 CNC(=O)CCCNCC(C)(C)O 34a_100000740002_100000764493 [0,2,0,0,0,0|2,0,0]=4 8726 B12R0.150 CNC(=O)CCCOCC(C)(C)F 34a_100000716592_100000741757 [0,2,0,0,0,0|2,0,0]=4 8727 B12R0.150 CNC(=O)CCCOCC(C)(F)F 34a_100000068830_100000741757 [0,2,0,0,0,0|2,0,0]=4 8728 B12R0.150 CNC(=O)CCCSCC(C)(C)C 62a_100000741757_100011219605 [0,2,0,0,0,0|2,0,0]=4 8729 B12R0.150 CNC(=O)CCCSCC(C)(C)C 62a_100011219605_100000741757 [0,2,0,0,0,0|2,0,0]=4 8730 B12R0.150 CNC(=O)CCCSCC(C)(C)F 62a_100000741757_100011997219 [0,2,0,0,0,0|2,0,0]=4 8731 B12R0.150 CNC(=O)CCCSCC(C)(C)F 62a_100011997219_100000741757 [0,2,0,0,0,0|2,0,0]=4 8732 B12R0.150 CNC(=O)CCCSCC(C)(C)O 62a_100000741757_100000764493 [0,2,0,0,0,0|2,0,0]=4 8733 B12R0.150 CNC(=O)CCCSCC(C)(C)O 62a_100000764493_100000741757 [0,2,0,0,0,0|2,0,0]=4 8734 B12R0.150 CNC(=O)CCNCCC(C)(C)C 2230a_100000738227_100000755188 [0,2,0,0,0,0|2,0,0]=4 8735 B12R0.150 CNC(=O)CCNCCC(C)(C)C 2230a_100000738805_100000737683 [0,2,0,0,0,0|2,0,0]=4 8736 B12R0.150 CNC(=O)CCNCCC(C)(C)C 34a_100000738227_100000755188 [0,2,0,0,0,0|2,0,0]=4 8737 B12R0.150 CNC(=O)CCNCCC(C)(C)F 2230a_100016253952_100000737683 [0,2,0,0,0,0|2,0,0]=4 8738 B12R0.150 CNC(=O)CCNCCC(C)(C)O 2230a_100000738227_100000702414 [0,2,0,0,0,0|2,0,0]=4 8739 B12R0.150 CNC(=O)CCNCCC(C)(C)O 34a_100000738227_100000702414 [0,2,0,0,0,0|2,0,0]=4 8740 B12R0.150 CNC(=O)CCOCCC(C)(C)C 34a_100000754576_100000755188 [0,2,0,0,0,0|2,0,0]=4 8741 B12R0.150 CNC(=O)CCOCCC(C)(C)C 7a_100000765024_100000737683 [0,2,0,0,0,0|2,0,0]=4 8742 B12R0.150 CNC(=O)CCOCCC(C)(C)O 34a_100000754576_100000702414 [0,2,0,0,0,0|2,0,0]=4 8743 B12R0.150 CNC(=O)CCSCCC(C)(C)C 62a_100000737683_100000755188 [0,2,0,0,0,0|2,0,0]=4 8744 B12R0.150 CNC(=O)CCSCCC(C)(C)C 62a_100000755188_100000737683 [0,2,0,0,0,0|2,0,0]=4 8745 B12R0.150 CNC(=O)CCSCCC(C)(C)O 62a_100000702414_100000737683 [0,2,0,0,0,0|2,0,0]=4 8746 B12R0.150 CNC(=O)CCSCCC(C)(C)O 62a_100000737683_100000702414 [0,2,0,0,0,0|2,0,0]=4 8747 B12R0.150 CNC(=O)CNCCCC(C)(C)O 2230a_100000693194_100009888830 [0,2,0,0,0,0|2,0,0]=4 8748 B12R0.150 CNC(=O)COCCCC(C)(C)O 34a_100000750040_100009888830 [0,2,0,0,0,0|2,0,0]=4 8749 B12R0.150 CNC(=O)CSCCCC(C)(C)O 62a_100000183359_100009888830 [0,2,0,0,0,0|2,0,0]=4 8750 B12R0.150 CNC(=O)CSCCCC(C)(C)O 62a_100009888830_100000183359 [0,2,0,0,0,0|2,0,0]=4 8751 B12R0.150 C[N+](C)(C)CCCCCC(=O)CO 1458a_100000210174_100009813293 [0,2,0,0,0,0|2,0,0]=4 8752 B12R0.150 O=C(CO)CCCCCC(F)(F)F 1458a_100000210174_100010187589 [0,2,0,0,0,0|2,0,0]=4 8753 B12R0.240 CC(C)CCCC(C)NC(=O)CO 240690a_100000210607_100000210174 [0,2,0,0,0,0|2,0,0]=4 8754 B12R0.240 CC(C)CCCC(C)NC(=O)CO 527a_100000210607_100000210174 [0,2,0,0,0,0|2,0,0]=4 8755 B12R0.240 CNC(=O)CC(=O)CCCC(C)C 1458a_100011216857_100000183359 [0,2,0,0,0,0|1,0,1]=4 8756 B12R0.240 CNC(=O)CN(C)CCCC(C)C 2230a_100000189611_100011214892 [0,2,0,0,0,0|2,0,0]=4 8757 B12R0.240 CNC(=O)CN(C)CCCC(C)O 2230a_100000189611_200000718107 [0,2,0,0,0,0|2,0,0]=4 8758 B12R0.240 CNC(=O)NC(C)CCCC(C)C 2708a_100000210607_106832991635 [0,2,0,0,0,0|2,0,0]=4 8759 B12R0.240 CNC(=O)NC(C)CCCC(C)C 2708a_100102657272_100000210607 [0,2,0,0,0,0|2,0,0]=4 8760 B12R0.240 CNC(=O)NC(C)CCCC(C)C 273464a_100000210607_100102657272 [0,2,0,0,0,0|2,0,0]=4 8761 B12R0.240 CNC(=O)NC(C)CCCC(C)C 512a_100000210607_100102657272 [0,2,0,0,0,0|2,0,0]=4 8762 B12R0.240 CNC(=O)NC(C)CCCC(C)C 512a_106832991638_100000210607 [0,2,0,0,0,0|2,0,0]=4 8763 B12R0.241 CNC(=O)CCCC(=O)CC(C)C 1458a_100000210554_100000741757 [0,2,0,0,0,0|1,0,1]=4 8764 B12R0.241 CNC(=O)CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000741757 [0,2,0,0,0,0|1,0,1]=4 8765 B12R0.241 CNC(=O)CCCN(C)CC(C)C 2230a_100000747067_100000741757 [0,2,0,0,0,0|2,0,0]=4 8766 B12R0.241 CNC(=O)CCCN(C)CC(C)C 269982a_100000747067_100000741757 [0,2,0,0,0,0|2,0,0]=4 8767 B12R0.241 CNC(=O)CCCN(C)CC(C)O 2230a_100000227577_100000741757 [0,2,0,0,0,0|2,0,0]=4 8768 B12R0.241 CNC(=O)CCCN(C)CC(C)O 269982a_100000227577_100000741757 [0,2,0,0,0,0|2,0,0]=4 8769 B12R0.241 CNC(=O)CCNC(C)CC(C)C 2230a_100000692259_100000737683 [0,2,0,0,0,0|2,0,0]=4 8770 B12R0.241 CNC(=O)CCNC(C)CC(C)C 2230a_100000738227_100000731052 [0,2,0,0,0,0|2,0,0]=4 8771 B12R0.241 CNC(=O)CCNC(C)CC(C)C 34a_100000738227_100000731052 [0,2,0,0,0,0|2,0,0]=4 8772 B12R0.241 CNC(=O)CCOC(C)CC(C)C 34a_100000211805_100012179268 [0,2,0,0,0,0|2,0,0]=4 8773 B12R0.241 CNC(=O)CCOC(C)CC(C)C 34a_100000754576_100000731052 [0,2,0,0,0,0|2,0,0]=4 8774 B12R0.241 CNC(=O)CCOC(C)CC(C)C 7a_100000211805_100000737683 [0,2,0,0,0,0|2,0,0]=4 8775 B12R0.241 CNC(=O)CCSC(C)CC(C)C 62a_100000731052_100000737683 [0,2,0,0,0,0|2,0,0]=4 8776 B12R0.241 CNC(=O)CCSC(C)CC(C)C 62a_100000737683_100000731052 [0,2,0,0,0,0|2,0,0]=4 8777 B12R0.241 CNC(=O)COC[C@@H](N)CC(C)C 34a_100011830311_100000183359 [0,2,0,0,0,0|2,0,0]=4 8778 B12R0.79 CCCC(C)CN[C@H](C)C(=O)NC 2230a_100000684985_100011216630 [0,2,0,0,0,0|2,0,0]=4 8779 B12R0.79 CCCC(C)CN[C@H](C)C(=O)NC 34a_100000684985_100011216630 [0,2,0,0,0,0|2,0,0]=4 8780 B12R0.79 CCCC(C)COC(C)C(=O)NC 34a_100000688023_100000731044 [0,2,0,0,0,0|2,0,0]=4 8781 B12R0.79 CCCC(C)COC(C)C(=O)NC 7a_100000688023_100000209862 [0,2,0,0,0,0|2,0,0]=4 8782 B12R0.79 CCCC(C)COC(C)C(=O)NN 34a_100000725659_100011216630 [0,2,0,0,0,0|2,0,0]=4 8783 B12R0.79 CCCC(C)COC(F)C(=O)NC 34a_100000688023_100009813575 [0,2,0,0,0,0|2,0,0]=4 8784 B12R0.79 CCCC(C)COC(F)C(=O)NC 7a_100000688023_100009813575 [0,2,0,0,0,0|2,0,0]=4 8785 B12R0.79 CCCC(C)CSC(C)C(=O)NC 62a_100000209862_100011216630 [0,2,0,0,0,0|2,0,0]=4 8786 B12R0.79 CCCC(C)CSC(C)C(=O)NC 62a_100011216630_100000731044 [0,2,0,0,0,0|2,0,0]=4 8787 B12R0.79 CCCC(C)CSC(F)C(=O)NC 62a_100009813575_100011216630 [0,2,0,0,0,0|2,0,0]=4 8788 B12R0.79 CCCC(C)CSC(F)C(=O)NC 62a_100011216630_100009813575 [0,2,0,0,0,0|2,0,0]=4 8789 B12R0.79 CCCC(C)NCC(C)C(=O)NC 2230a_100015187722_100000766640 [0,2,0,0,0,0|2,0,0]=4 8790 B12R0.79 CCCC(C)NCC(C)C(=O)NC 270004a_100015187722_100000211909 [0,2,0,0,0,0|2,0,0]=4 8791 B12R0.79 CCCC(C)NCC(C)C(=O)NC 34a_100015187722_100000766640 [0,2,0,0,0,0|2,0,0]=4 8792 B12R0.79 CCCC(C)OCC(N)C(=O)NN 34a_100016989258_100000766640 [0,2,0,0,0,0|2,0,0]=4 8793 B12R0.79 CCC[C@H](N)COC(C)C(=O)NC 34a_100000732646_100000731044 [0,2,0,0,0,0|2,0,0]=4 8794 B12R0.79 CCC[C@H](N)COC(F)C(=O)NC 34a_100000732646_100009813575 [0,2,0,0,0,0|2,0,0]=4 8795 B12R0.110 CCCCCC(=O)C(C)C(=O)NC 1458a_100000212188_100000209862 [0,2,0,0,0,0|1,0,1]=4 8796 B12R0.110 CCCCCC(=O)C(F)C(=O)NC 1458a_100000212188_100009813575 [0,2,0,0,0,0|1,0,1]=4 8797 B12R0.110 CCCCCC(C)C(=O)C(=O)NC 1458a_100011218921_200011218191 [0,2,0,0,0,0|1,0,1]=4 8798 B12R0.110 CCCCCN(C)C(C)C(=O)NC 2230a_100000223495_100000731044 [0,2,0,0,0,0|2,0,0]=4 8799 B12R0.110 CCCCCN(C)C(C)C(=O)NC 269982a_100000223495_100000209862 [0,2,0,0,0,0|2,0,0]=4 8800 B12R0.110 CCCCCN(C)C(F)C(=O)NC 2230a_100000223495_100009813575 [0,2,0,0,0,0|2,0,0]=4 8801 B12R0.110 CCCCCN(C)C(F)C(=O)NC 269982a_100000223495_100009813575 [0,2,0,0,0,0|2,0,0]=4 8802 B12R0.110 CCCCO[C@H](C)[C@H](N)C(=O)NC 34a_100102634413_100000210210 [0,2,0,0,0,0|2,0,0]=4 8803 B12R0.200 CCCCCCC(NC)C(=O)OC 2230a_106832991635_100009813864 [0,2,0,0,0,0|2,0,0]=4 8804 B12R0.200 CCCCCCC(NC)C(=O)OC 34a_100102657272_100009813864 [0,2,0,0,0,0|2,0,0]=4 8805 B12R0.200 CCCCCCC(NC)C(=O)OC 7a_106832991635_100009813864 [0,2,0,0,0,0|2,0,0]=4 8806 B12R0.200 CCCCCCC(OC)C(=O)OC 34a_100138415774_100009813864 [0,2,0,0,0,0|2,0,0]=4 8807 B12R0.200 CCCCCCC(SC)C(=O)OC 62a_100009813864_200000210301 [0,2,0,0,0,0|2,0,0]=4 8808 B12R0.200 CCCCCCC(SC)C(=O)OC 62a_200000210301_100009813864 [0,2,0,0,0,0|2,0,0]=4 8809 B12R0.200 CCCCCCC(S[13CH3])C(=O)OC 62a_100009813864_200025704644 [0,2,0,0,0,0|2,0,0]=4 8810 B12R0.200 CCCCCCC(S[13CH3])C(=O)OC 62a_200025704644_100009813864 [0,2,0,0,0,0|2,0,0]=4 8811 B12R0.200 CCCCCN[C@@H](CC)C(=O)NC 2230a_106657271573_100000210326 [0,2,0,0,0,0|2,0,0]=4 8812 B12R0.200 CCCCCN[C@@H](CC)C(=O)NC 34a_106657271573_100000718602 [0,2,0,0,0,0|2,0,0]=4 8813 B12R0.600 CCCCCCC(C)(C)C(=O)CC 1458a_100011290782_100000210202 [0,2,0,0,0,0|2,0,0]=4 8814 B12R0.600 CCCCCCC(C)(C)C(=O)CF 1458a_100011290782_100015361967 [0,2,0,0,0,0|2,0,0]=4 8815 B12R0.600 CCCCCCC(C)(C)C(=O)NC 11a_106832991635_100011290782 [0,2,0,0,0,0|1,0,0]=3 8816 B12R0.600 CCCCCCC(C)(C)C(=O)NC 1626a_100102657272_100011290782 [0,2,0,0,0,0|1,0,0]=3 8817 B12R0.600 CCCCCCC(C)(C)C(=O)NC 240690a_100102657272_100011290782 [0,2,0,0,0,0|1,0,0]=3 8818 B12R0.600 CCCCCCC(C)(C)C(=O)NC 527a_100102657272_100011290782 [0,2,0,0,0,0|1,0,0]=3 8819 B12R0.600 CCCCCNC(C)(C)C(=O)NC 2230a_100000209983_100000732697 [0,2,0,0,0,0|2,0,0]=4 8820 B12R0.600 CCCCCOC(C)(C)C(=O)NC 34a_100000210253_100000732697 [0,2,0,0,0,0|2,0,0]=4 8821 B12R0.600 CCCCCOC(C)(C)C(=O)NN 34a_100000061348_100000718602 [0,2,0,0,0,0|2,0,0]=4 8822 B12R0.600 CCCCCSC(C)(C)C(=O)NC 62a_100000210326_100000732697 [0,2,0,0,0,0|2,0,0]=4 8823 B12R0.600 CCCCCSC(C)(C)C(=O)NC 62a_100000732697_100000210326 [0,2,0,0,0,0|2,0,0]=4 8824 B12R0.600 CCCCOCC(C)(C)C(=O)NC 34a_100000210227_100000702813 [0,2,0,0,0,0|2,0,0]=4 8825 B12R0.600 CCCCSCC(C)(C)C(=O)NC 62a_100000210211_100000702813 [0,2,0,0,0,0|2,0,0]=4 8826 B12R0.600 CCCCSCC(C)(C)C(=O)NC 62a_100000702813_100000210210 [0,2,0,0,0,0|2,0,0]=4 8827 B12R0.68 CCCC(C)CC(=O)CC(=O)NC 1458a_100000748435_100000183359 [0,2,0,0,0,0|1,0,1]=4 8828 B12R0.68 CCCC(C)CN(C)CC(=O)NC 2230a_100000189611_100011216630 [0,2,0,0,0,0|2,0,0]=4 8829 B12R0.68 CCCC(C)CN(C)CC(=O)NC 270004a_100000189611_100000243154 [0,2,0,0,0,0|2,0,0]=4 8830 B12R0.176 CCCC(C)(C)COCC(=O)NC 7a_100011995695_100000183359 [0,2,0,0,0,0|2,0,0]=4 8831 B12R0.176 CCCC(C)(C)OCCC(=O)NC 7a_100000748436_100000737683 [0,2,0,0,0,0|2,0,0]=4 8832 B12R0.229 C#CC(CCC)OCCC(=O)NC 34a_200011217317_100012179268 [0,2,0,0,0,0|2,0,0]=4 8833 B12R0.229 C#CC(CCC)OCCC(=O)NC 7a_200011217317_100000737683 [0,2,0,0,0,0|2,0,0]=4 8834 B12R0.229 C=CC(CCC)OCCC(=O)NC 34a_100011216692_100012179268 [0,2,0,0,0,0|2,0,0]=4 8835 B12R0.229 C=CC(CCC)OCCC(=O)NC 7a_100011216692_100000737683 [0,2,0,0,0,0|2,0,0]=4 8836 B12R0.229 CCCC(C#N)OCCC(=O)NC 34a_100000686963_100012179268 [0,2,0,0,0,0|2,0,0]=4 8837 B12R0.229 CCCC(C#N)OCCC(=O)NC 7a_100000686963_100000737683 [0,2,0,0,0,0|2,0,0]=4 8838 B12R0.229 CCCC(CC)NCCC(=O)NC 2230a_100000747048_100000737683 [0,2,0,0,0,0|2,0,0]=4 8839 B12R0.229 CCCC(CC)NCCC(=O)NC 270004a_100000738227_100000687865 [0,2,0,0,0,0|2,0,0]=4 8840 B12R0.229 CCCC(CC)OCCC(=O)NC 34a_100000687864_100012179268 [0,2,0,0,0,0|2,0,0]=4 8841 B12R0.229 CCCC(CC)OCCC(=O)NC 7a_100000687864_100000737683 [0,2,0,0,0,0|2,0,0]=4 8842 B12R0.229 CCCC(CC)SCCC(=O)NC 62a_100000737683_100011219200 [0,2,0,0,0,0|2,0,0]=4 8843 B12R0.229 CCCC(CC)SCCC(=O)NC 62a_100011219200_100000737683 [0,2,0,0,0,0|2,0,0]=4 8844 B12R0.229 CCCN(CC)CCCC(=O)NC 2230a_100000226822_100000741757 [0,2,0,0,0,0|2,0,0]=4 8845 B12R0.229 CCCN(CC)CCCC(=O)NC 269982a_100000226822_100000741757 [0,2,0,0,0,0|2,0,0]=4 8846 B12R0.229 CCC[C@@H](CO)NCCC(=O)NC 2230a_100000732646_100000737683 [0,2,0,0,0,0|2,0,0]=4 8847 B12R0.229 CCC[C@@H](CO)NCCC(=O)NC 34a_100000732646_100012179268 [0,2,0,0,0,0|2,0,0]=4 8848 B10R1.10 CCOC1CCCC(=O)C1 34a_100012613340_100000210202 [1,0,0,1,0,0|2,0,0]=4 8849 B10R1.10 COCC1CCCC(=O)N1 34a_200000102386_200000210301 [1,0,0,1,0,0|1,0,0]=3 8850 B10R1.10 COCC1COCC(=O)N1 34a_200000101122_200000210301 [1,0,0,1,0,0|2,0,0]=4 8851 B10R1.10 [13CH3]OCC1CCCC(=O)N1 34a_200000102386_200025704644 [1,0,0,1,0,0|1,0,0]=3 8852 B10R1.10 [13CH3]OCC1COCC(=O)N1 34a_200000101122_200025704644 [1,0,0,1,0,0|2,0,0]=4 8853 B10R1.16 CCCOC1CCC(=O)C1 34a_100012614533_100000210303 [1,0,0,1,0,0|2,0,0]=4 8854 B10R1.16 CCCOC1COC(=O)O1 34a_100000210258_100000032252 [1,0,0,1,0,0|2,0,0]=4 8855 B10R1.16 CCCSC1COC(=O)O1 62a_100000210303_100000032252 [1,0,0,1,0,0|2,0,0]=4 8856 B10R1.16 CCNCC1CNC(=O)O1 2230a_100015525214_100000181169 [1,0,0,1,0,0|2,0,0]=4 8857 B10R1.16 CCNC[C@@H]1CCC(=O)N1 2230a_100015525214_100015189358 [1,0,0,1,0,0|1,0,0]=3 8858 B10R1.16 CCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210202 [1,0,0,1,0,0|1,0,0]=3 8859 B10R1.16 CCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210202 [1,0,0,1,0,0|1,0,0]=3 8860 B10R1.16 CCNC[C@H]1COC(=O)N1 2230a_100015525214_100015307671 [1,0,0,1,0,0|2,0,0]=4 8861 B10R1.16 CCOCC1CCC(=O)N1 34a_100000737831_100000210202 [1,0,0,1,0,0|1,0,0]=3 8862 B10R1.16 CCOCC1CNC(=O)O1 34a_100011315639_100000210202 [1,0,0,1,0,0|2,0,0]=4 8863 B10R1.16 CCOCC1CNC(=O)O1 34a_100121572206_100000181169 [1,0,0,1,0,0|2,0,0]=4 8864 B10R1.16 CCOCC1COC(=O)O1 34a_100121572206_100000073702 [1,0,0,1,0,0|2,0,0]=4 8865 B10R1.16 CCOC[C@H]1COC(=O)N1 34a_100121572206_100015307671 [1,0,0,1,0,0|2,0,0]=4 8866 B10R1.16 CCSCC1CNC(=O)O1 62a_100000181169_100000210202 [1,0,0,1,0,0|2,0,0]=4 8867 B10R1.16 CCSCC1CNC(=O)O1 62a_100000210202_100000181169 [1,0,0,1,0,0|2,0,0]=4 8868 B10R1.16 CCSCC1COC(=O)O1 62a_100000073702_100000210202 [1,0,0,1,0,0|2,0,0]=4 8869 B10R1.16 CCSCC1COC(=O)O1 62a_100000210202_100000073702 [1,0,0,1,0,0|2,0,0]=4 8870 B10R1.16 CCSC[C@@H]1CCC(=O)N1 62a_100000210202_100015189358 [1,0,0,1,0,0|1,0,0]=3 8871 B10R1.16 CCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210202 [1,0,0,1,0,0|1,0,0]=3 8872 B10R1.16 CCSC[C@H]1COC(=O)N1 62a_100000210202_100015307671 [1,0,0,1,0,0|2,0,0]=4 8873 B10R1.16 CCSC[C@H]1COC(=O)N1 62a_100015307671_100000210202 [1,0,0,1,0,0|2,0,0]=4 8874 B10R1.16 O=C1CCC(N1)COCF 34a_100000737831_100015361967 [1,0,0,1,0,0|2,0,0]=4 8875 B10R1.16 O=C1CC[C@@H](N1)CNCF 34a_100015423886_100015361967 [1,0,0,1,0,0|2,0,0]=4 8876 B10R1.16 O=C1CC[C@H](N1)CSCF 62a_100015189358_100015361967 [1,0,0,1,0,0|2,0,0]=4 8877 B10R1.16 O=C1CC[C@H](N1)CSCF 62a_100015361967_100015189358 [1,0,0,1,0,0|2,0,0]=4 8878 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000070787_100000211423 [1,0,0,1,0,0|1,0,0]=3 8879 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000211666_200000210301 [1,0,0,1,0,0|1,0,0]=3 8880 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000070787_100000211543 [1,0,0,1,0,0|2,0,0]=4 8881 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000238585_200000210301 [1,0,0,1,0,0|2,0,0]=4 8882 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000070787_100000741521 [1,0,0,1,0,0|2,0,0]=4 8883 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000741523_200000210301 [1,0,0,1,0,0|2,0,0]=4 8884 B10R1.18 CC(=O)CC1CCOCC1 1458a_100000070787_100000754603 [1,0,0,1,0,0|2,0,0]=4 8885 B10R1.18 CC(=O)CC1CCOCC1 1458a_100000757261_200000210301 [1,0,0,1,0,0|2,0,0]=4 8886 B10R1.18 CC(=O)CN1CCCCC1 1458a_100000740322_200000210301 [1,0,0,1,0,0|2,0,0]=4 8887 B10R1.18 CC(=O)NC1CCCCC1 11a_100000182618_100015343762 [1,0,0,1,0,0|2,0,0]=4 8888 B10R1.18 CC(=O)NC1CCCCC1 1626a_100000182618_100015343762 [1,0,0,1,0,0|2,0,0]=4 8889 B10R1.18 CC(=O)NC1CCCCC1 240690a_100000182618_100015343762 [1,0,0,1,0,0|2,0,0]=4 8890 B10R1.18 CC(=O)NC1CCCCC1 527a_100000182618_100103153847 [1,0,0,1,0,0|2,0,0]=4 8891 B10R1.18 NC(=O)CN1CCCOC1 2230a_100000131196_100000747473 [1,0,0,1,0,0|2,0,0]=4 8892 B10R1.18 NC(=O)CN1CCCOC1 269982a_100000131196_100000187820 [1,0,0,1,0,0|2,0,0]=4 8893 B10R1.18 NC(=O)CN1CCCOC1 34a_100000131196_100000187820 [1,0,0,1,0,0|2,0,0]=4 8894 B10R1.18 NC(=O)CN1CCOCC1 2230a_100015191051_100000747473 [1,0,0,1,0,0|2,0,0]=4 8895 B10R1.18 NC(=O)CN1CCOCC1 269982a_100015191051_100000187820 [1,0,0,1,0,0|2,0,0]=4 8896 B10R1.18 NC(=O)CN1CCOCC1 34a_100015191051_100000187820 [1,0,0,1,0,0|2,0,0]=4 8897 B10R1.18 NC(=O)CN1CCSCC1 2230a_100000737611_100000747473 [1,0,0,1,0,0|2,0,0]=4 8898 B10R1.18 NC(=O)CN1CCSCC1 269982a_100000737611_100000187820 [1,0,0,1,0,0|2,0,0]=4 8899 B10R1.18 [13CH3]C(=O)CC1CCCCC1 1458a_100000211666_200025704644 [1,0,0,1,0,0|1,0,0]=3 8900 B10R1.18 [13CH3]C(=O)CC1CCCCO1 1458a_100000238585_200025704644 [1,0,0,1,0,0|2,0,0]=4 8901 B10R1.18 [13CH3]C(=O)CC1CCCOC1 1458a_100000741523_200025704644 [1,0,0,1,0,0|2,0,0]=4 8902 B10R1.18 [13CH3]C(=O)CC1CCOCC1 1458a_100000757261_200025704644 [1,0,0,1,0,0|2,0,0]=4 8903 B10R1.18 [13CH3]C(=O)CN1CCCCC1 1458a_100000740322_200025704644 [1,0,0,1,0,0|2,0,0]=4 8904 B10R1.24 CCCCSC1CC(=O)C1 62a_100009894365_100000210210 [1,0,0,1,0,0|2,0,0]=4 8905 B10R1.24 CCCOCC1CC(=O)C1 34a_100000101936_100000210303 [1,0,0,1,0,0|2,0,0]=4 8906 B10R1.24 CCCSCC1CC(=O)C1 62a_100000210303_100009874392 [1,0,0,1,0,0|2,0,0]=4 8907 B10R1.24 CCCSCC1CC(=O)C1 62a_100009874392_100000210303 [1,0,0,1,0,0|2,0,0]=4 8908 B10R1.39 CCC1CCCN1C(=O)C 11a_100000754278_100015343762 [1,0,0,1,0,0|2,0,0]=4 8909 B10R1.39 CCC1CCCN1C(=O)C 1626a_100000754278_100015343762 [1,0,0,1,0,0|2,0,0]=4 8910 B10R1.39 CCC1CCCN1C(=O)C 240690a_100000754278_100015343762 [1,0,0,1,0,0|2,0,0]=4 8911 B10R1.39 CCC1CCCN1C(=O)C 527a_100000754278_100103153847 [1,0,0,1,0,0|2,0,0]=4 8912 B10R1.39 CCN1CCCC1C(=O)C 1458a_106256033941_200000210301 [1,0,0,1,0,0|2,0,0]=4 8913 B10R1.39 CCN1CCCC1C(=O)[13CH3] 1458a_106256033941_200025704644 [1,0,0,1,0,0|2,0,0]=4 8914 B10R1.39 CCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210202 [1,0,0,1,0,0|1,0,0]=3 8915 B10R1.39 CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210202 [1,0,0,1,0,0|1,0,0]=3 8916 B10R1.39 CCN1CCSC1C(=O)O 269956a_100000035718_100000210202 [1,0,0,1,0,0|2,0,0]=4 8917 B10R1.39 CCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210202 [1,0,0,1,0,0|2,0,0]=4 8918 B10R1.39 O=C(O)[C@@H]1CCCN1CF 269956a_100000743916_100015361967 [1,0,0,1,0,0|2,0,0]=4 8919 B10R1.61 CC(=O)C1CCCCC1C 1458a_100011215568_200000210301 [1,0,0,1,0,0|1,0,0]=3 8920 B10R1.61 CC(=O)C1CCCCC1O 1458a_100011803323_200000210301 [1,0,0,1,0,0|2,0,0]=4 8921 B10R1.61 CC(=O)N1CCCCC1C 11a_100000211376_100015343762 [1,0,0,1,0,0|2,0,0]=4 8922 B10R1.61 CC(=O)N1CCCCC1C 1626a_100000211376_100015343762 [1,0,0,1,0,0|2,0,0]=4 8923 B10R1.61 CC(=O)N1CCCCC1C 240690a_100000211376_100015343762 [1,0,0,1,0,0|2,0,0]=4 8924 B10R1.61 CC(=O)N1CCCCC1C 527a_100000211376_100103153847 [1,0,0,1,0,0|2,0,0]=4 8925 B10R1.61 CC(=O)[C@H]1CCCCN1C 1458a_100000767060_200000210301 [1,0,0,1,0,0|2,0,0]=4 8926 B10R1.61 CC1CCCCC1C(=O)[13CH3] 1458a_100011215568_200025704644 [1,0,0,1,0,0|1,0,0]=3 8927 B10R1.61 CN1CCCCC1C(=O)N 2230a_100000181395_200000210301 [1,0,0,1,0,0|1,0,0]=3 8928 B10R1.61 CN1CCCCC1C(=O)N 269982a_100000181395_200000210301 [1,0,0,1,0,0|1,0,0]=3 8929 B10R1.61 CN1CCCCC1C(=O)N 34a_100000181395_200000210301 [1,0,0,1,0,0|1,0,0]=3 8930 B10R1.61 CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_200000210301 [1,0,0,1,0,0|1,0,0]=3 8931 B10R1.61 CN1CCCC[C@@H]1C(=O)[13CH3] 1458a_100000767060_200025704644 [1,0,0,1,0,0|2,0,0]=4 8932 B10R1.61 CN1CCOC[C@@H]1C(=O)O 269956a_100016993156_200000210301 [1,0,0,1,0,0|2,0,0]=4 8933 B10R1.61 CN1CCSCC1C(=O)O 269956a_100011346106_200000210301 [1,0,0,1,0,0|2,0,0]=4 8934 B10R1.61 CN1CSCCC1C(=O)O 269956a_100015185162_200000210301 [1,0,0,1,0,0|2,0,0]=4 8935 B10R1.61 [13CH3]C(=O)C1CCCCC1O 1458a_100011803323_200025704644 [1,0,0,1,0,0|2,0,0]=4 8936 B10R1.61 [13CH3]N1CCCCC1C(=O)N 2230a_100000181395_200025704644 [1,0,0,1,0,0|1,0,0]=3 8937 B10R1.61 [13CH3]N1CCCCC1C(=O)N 269982a_100000181395_200025704644 [1,0,0,1,0,0|1,0,0]=3 8938 B10R1.61 [13CH3]N1CCCCC1C(=O)N 34a_100000181395_200025704644 [1,0,0,1,0,0|1,0,0]=3 8939 B10R1.61 [13CH3]N1CCCC[C@@H]1C(=O)O 269956a_100000763471_200025704644 [1,0,0,1,0,0|1,0,0]=3 8940 B10R1.61 [13CH3]N1CCOC[C@@H]1C(=O)O 269956a_100016993156_200025704644 [1,0,0,1,0,0|2,0,0]=4 8941 B10R1.61 [13CH3]N1CCSCC1C(=O)O 269956a_100011346106_200025704644 [1,0,0,1,0,0|2,0,0]=4 8942 B10R1.61 [13CH3]N1CSCCC1C(=O)O 269956a_100015185162_200025704644 [1,0,0,1,0,0|2,0,0]=4 8943 B10R1.64 CC1SCCN1CC(=O)N 2230a_200011216479_100000747473 [1,0,0,1,0,0|2,0,0]=4 8944 B10R1.64 CC1SCCN1CC(=O)N 269982a_200011216479_100000187820 [1,0,0,1,0,0|2,0,0]=4 8945 B10R1.64 CC1SCCN1CC(=O)N 34a_200011216479_100000187820 [1,0,0,1,0,0|2,0,0]=4 8946 B10R1.64 C[C@@H]1CCCN1CC(=O)N 2230a_100015189458_100000747473 [1,0,0,1,0,0|1,0,0]=3 8947 B10R1.64 C[C@@H]1CCCN1CC(=O)N 269982a_100015189458_100000187820 [1,0,0,1,0,0|1,0,0]=3 8948 B10R1.64 C[C@@H]1CCCN1CC(=O)N 34a_100015189458_100000187820 [1,0,0,1,0,0|1,0,0]=3 8949 B10R1.64 C[C@@H]1CCCN1CC(=O)[O-] 269982a_100015189458_100020667443 [1,0,0,1,0,0|1,0,1]=4 8950 B10R1.64 C[C@@H]1CCCN1CC(=O)[O-] 34a_100015189458_100020667443 [1,0,0,1,0,0|1,0,1]=4 8951 B10R1.64 C[C@H]1CCCN1CC(=O)N 2230a_100020605311_100000747473 [1,0,0,1,0,0|1,0,0]=3 8952 B10R1.64 C[C@H]1CCCN1CC(=O)N 269982a_100020605311_100000187820 [1,0,0,1,0,0|1,0,0]=3 8953 B10R1.64 C[C@H]1CCCN1CC(=O)[O-] 269982a_100020605311_100020667443 [1,0,0,1,0,0|1,0,1]=4 8954 B10R1.66 CC(=O)CCC1CCCC1 1458a_100000070787_100000760354 [1,0,0,1,0,0|1,0,0]=3 8955 B10R1.66 CC(=O)CCC1CCCC1 1458a_100000211120_200000210301 [1,0,0,1,0,0|1,0,0]=3 8956 B10R1.66 CC(=O)CCC1CCCO1 1458a_100011247709_200000210301 [1,0,0,1,0,0|2,0,0]=4 8957 B10R1.66 CC(=O)CCN1CCCC1 1458a_100000070787_100000004467 [1,0,0,1,0,0|2,0,0]=4 8958 B10R1.66 CC(=O)CCN1CCCC1 1458a_100000738983_200000210301 [1,0,0,1,0,0|2,0,0]=4 8959 B10R1.66 CC(=O)CCN1CCCC1 269982a_100000188435_100000053229 [1,0,0,1,0,0|2,0,0]=4 8960 B10R1.66 CC(=O)COC1CCCC1 1458a_100000741352_200000210301 [1,0,0,1,0,0|2,0,0]=4 8961 B10R1.66 CC(=O)COC1CCCC1 34a_100000211253_100000179811 [1,0,0,1,0,0|2,0,0]=4 8962 B10R1.66 CC(=O)NCC1CCCC1 11a_100000737975_100015343762 [1,0,0,1,0,0|2,0,0]=4 8963 B10R1.66 CC(=O)NCC1CCCC1 1626a_100000737975_100015343762 [1,0,0,1,0,0|2,0,0]=4 8964 B10R1.66 CC(=O)NCC1CCCC1 240690a_100000737975_100015343762 [1,0,0,1,0,0|2,0,0]=4 8965 B10R1.66 CC(=O)NCC1CCCC1 527a_100000737975_100103153847 [1,0,0,1,0,0|2,0,0]=4 8966 B10R1.66 NC(=O)CCN1CCCC1 2230a_100000188435_100000744528 [1,0,0,1,0,0|1,0,0]=3 8967 B10R1.66 NC(=O)CCN1CCCC1 269982a_100000188435_100000744528 [1,0,0,1,0,0|1,0,0]=3 8968 B10R1.66 NC(=O)CCN1CCSC1 2230a_100011215254_100000744528 [1,0,0,1,0,0|2,0,0]=4 8969 B10R1.66 NC(=O)CCN1CCSC1 269982a_100011215254_100000744528 [1,0,0,1,0,0|2,0,0]=4 8970 B10R1.66 NC(=O)CNC1CCCC1 2230a_100000211070_100000747473 [1,0,0,1,0,0|1,0,0]=3 8971 B10R1.66 NC(=O)CNC1CCCC1 2230a_100000711301_100000179811 [1,0,0,1,0,0|1,0,0]=3 8972 B10R1.66 NC(=O)CNC1CCCC1 34a_100000211070_100000187820 [1,0,0,1,0,0|1,0,0]=3 8973 B10R1.66 NC(=O)CNC1CCOC1 2230a_100000711301_100000731011 [1,0,0,1,0,0|2,0,0]=4 8974 B10R1.66 NC(=O)CN[C@@H]1CCOC1 2230a_200015188469_100000747473 [1,0,0,1,0,0|2,0,0]=4 8975 B10R1.66 NC(=O)CN[C@H]1CCOC1 2230a_100015188467_100000747473 [1,0,0,1,0,0|2,0,0]=4 8976 B10R1.66 NC(=O)CN[C@H]1CCOC1 34a_100015188467_100000187820 [1,0,0,1,0,0|2,0,0]=4 8977 B10R1.66 NC(=O)COC1CCCC1 34a_100000210269_100000187820 [1,0,0,1,0,0|1,0,0]=3 8978 B10R1.66 NC(=O)COC1CCCC1 7a_100000210269_100000187820 [1,0,0,1,0,0|1,0,0]=3 8979 B10R1.66 NC(=O)COC1CCCO1 34a_100000085407_100000187820 [1,0,0,1,0,0|2,0,0]=4 8980 B10R1.66 NC(=O)COC1CCSC1 7a_100011232664_100000187820 [1,0,0,1,0,0|2,0,0]=4 8981 B10R1.66 NC(=O)CO[C@H]1CCOC1 34a_100000717292_100000187820 [1,0,0,1,0,0|2,0,0]=4 8982 B10R1.66 NC(=O)CSC1CCCC1 62a_100000747473_100000179811 [1,0,0,1,0,0|1,0,0]=3 8983 B10R1.66 NC(=O)CSC1CCCC1 62a_100011217020_100000747473 [1,0,0,1,0,0|1,0,0]=3 8984 B10R1.66 NC(=O)CSC1CCOC1 62a_100000747473_100000690089 [1,0,0,1,0,0|2,0,0]=4 8985 B10R1.66 O=C(O)CNC1CCCC1 269956a_100016091260_100000179811 [1,0,0,1,0,0|1,0,0]=3 8986 B10R1.66 O=C(O)CNC1CCOC1 269956a_100016091260_100000731011 [1,0,0,1,0,0|2,0,0]=4 8987 B10R1.66 O=C([O-])CNC1CCCC1 34a_100000211070_100020667443 [1,0,0,1,0,0|1,0,1]=4 8988 B10R1.66 O=C([O-])COC1CCCC1 34a_100000210269_100020667443 [1,0,0,1,0,0|1,0,1]=4 8989 B10R1.66 O=C([O-])CSC1CCCC1 62a_100011217020_100020667443 [1,0,0,1,0,0|1,0,1]=4 8990 B10R1.66 O=C([O-])CSC1CCCC1 62a_100020667443_100000179811 [1,0,0,1,0,0|1,0,1]=4 8991 B10R1.66 [13CH3]C(=O)CCC1CCCC1 1458a_100000211120_200025704644 [1,0,0,1,0,0|1,0,0]=3 8992 B10R1.66 [13CH3]C(=O)CCC1CCCO1 1458a_100011247709_200025704644 [1,0,0,1,0,0|2,0,0]=4 8993 B10R1.66 [13CH3]C(=O)CCN1CCCC1 1458a_100000738983_200025704644 [1,0,0,1,0,0|2,0,0]=4 8994 B10R1.66 [13CH3]C(=O)COC1CCCC1 1458a_100000741352_200025704644 [1,0,0,1,0,0|2,0,0]=4 8995 B10R1.73 CC1CC1COCC(=O)N 34a_100000744939_100000187820 [1,0,0,1,0,0|1,0,0]=3 8996 B10R1.73 CC1CC1COCC(=O)N 7a_100000744939_100000187820 [1,0,0,1,0,0|1,0,0]=3 8997 B10R1.73 CC1CC1COCC(=O)[O-] 34a_100000744939_100020667443 [1,0,0,1,0,0|1,0,1]=4 8998 B10R1.73 NC(=O)CCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000744528 [1,0,0,1,0,0|2,0,0]=4 8999 B10R1.73 NC(=O)CCN[C@@H]1C[C@H]1F 2230a_100025746932_100000744528 [1,0,0,1,0,0|2,0,0]=4 9000 B10R1.73 NC(=O)CCN[C@@H]1C[C@H]1F 34a_100025746932_100000731001 [1,0,0,1,0,0|2,0,0]=4 9001 B10R1.86 CCCN1CCC1C(=O)O 269956a_100000021838_100000210207 [1,0,0,1,0,0|1,0,0]=3 9002 B10R1.86 COCN1CCC1C(=O)O 269956a_100000021838_100000766300 [1,0,0,1,0,0|2,0,0]=4 9003 B10R1.86 CSCN1CCC1C(=O)O 269956a_100000021838_100011218213 [1,0,0,1,0,0|2,0,0]=4 9004 B10R1.86 O=C(O)C1CCN1CCF 269956a_100000021838_100011217306 [1,0,0,1,0,0|2,0,0]=4 9005 B10R1.86 O=C(O)C1CCN1CCO 269956a_100000021838_100000211926 [1,0,0,1,0,0|2,0,0]=4 9006 B10R1.117 CC(=O)CCN1CCC1C 269982a_100000755817_100000053229 [1,0,0,1,0,0|2,0,0]=4 9007 B10R1.117 CC1CCN1CCC(=O)N 269982a_100000755817_100000744528 [1,0,0,1,0,0|1,0,0]=3 9008 B10R1.117 CC1CCN1CCC(=O)N 34a_100000755817_100000731001 [1,0,0,1,0,0|1,0,0]=3 9009 B10R1.126 CC(=O)CCCNC1CC1 34a_100000212008_100000685027 [1,0,0,1,0,0|2,0,0]=4 9010 B10R1.126 CC(=O)CCCOC1CC1 34a_100000759063_100000211595 [1,0,0,1,0,0|2,0,0]=4 9011 B10R1.126 CC(=O)CCCSC1CC1 62a_100011215641_100000211595 [1,0,0,1,0,0|2,0,0]=4 9012 B10R1.126 CC(=O)CCOCC1CC1 34a_100000759926_100000742324 [1,0,0,1,0,0|2,0,0]=4 9013 B10R1.126 CC(=O)CCOCC1CC1 7a_100000759926_100000742324 [1,0,0,1,0,0|2,0,0]=4 9014 B10R1.126 CC(=O)CCSCC1CC1 62a_100000053229_100000742324 [1,0,0,1,0,0|2,0,0]=4 9015 B10R1.126 CC(=O)CCSCC1CC1 62a_100000756562_100000053229 [1,0,0,1,0,0|2,0,0]=4 9016 B10R1.126 CC(=O)COCCC1CC1 34a_100000211253_100000694398 [1,0,0,1,0,0|2,0,0]=4 9017 B10R1.126 NC(=O)CCCNC1CC1 34a_100000212008_100102525003 [1,0,0,1,0,0|1,0,0]=3 9018 B10R1.126 NC(=O)CCCNC1CC1 34a_100000739312_100000211595 [1,0,0,1,0,0|1,0,0]=3 9019 B10R1.126 NC(=O)CCCSC1CC1 62a_100102525003_100000211595 [1,0,0,1,0,0|1,0,0]=3 9020 B10R1.126 NC(=O)CCNCC1CC1 2230a_100000735609_100000744528 [1,0,0,1,0,0|1,0,0]=3 9021 B10R1.126 NC(=O)CCNCC1CC1 269862a_100000740010_100000741477 [1,0,0,1,0,0|1,0,0]=3 9022 B10R1.126 NC(=O)CCNCC1CC1 34a_100000735609_100000731001 [1,0,0,1,0,0|1,0,0]=3 9023 B10R1.126 NC(=O)CCOCC1CC1 34a_100000211283_100000731001 [1,0,0,1,0,0|1,0,0]=3 9024 B10R1.126 NC(=O)CCOCC1CC1 34a_100000757172_100000742324 [1,0,0,1,0,0|1,0,0]=3 9025 B10R1.126 NC(=O)CCOCC1CC1 7a_100000757172_100000742324 [1,0,0,1,0,0|1,0,0]=3 9026 B10R1.126 NC(=O)CCOCC1CO1 34a_100000757172_102125554688 [1,0,0,1,0,0|2,0,0]=4 9027 B10R1.126 NC(=O)CCOCC1CO1 7a_100000757172_102125554688 [1,0,0,1,0,0|2,0,0]=4 9028 B10R1.126 NC(=O)CCOCC1CS1 7a_100000757172_100000031435 [1,0,0,1,0,0|2,0,0]=4 9029 B10R1.126 NC(=O)CCOC[C@@H]1CO1 34a_100000757423_100000731001 [1,0,0,1,0,0|2,0,0]=4 9030 B10R1.126 NC(=O)CCOC[C@@H]1CO1 7a_100000757172_100000745022 [1,0,0,1,0,0|2,0,0]=4 9031 B10R1.126 NC(=O)CCSCC1CC1 62a_100000744528_100000742324 [1,0,0,1,0,0|1,0,0]=3 9032 B10R1.126 NC(=O)CCSCC1CC1 62a_100000756562_100000744528 [1,0,0,1,0,0|1,0,0]=3 9033 B10R1.126 NC(=O)CCSCC1CO1 62a_100000744528_102125554688 [1,0,0,1,0,0|2,0,0]=4 9034 B10R1.126 NC(=O)CCSCC1CO1 62a_102125554688_100000744528 [1,0,0,1,0,0|2,0,0]=4 9035 B10R1.126 NC(=O)CCSCC1CS1 62a_100000031435_100000744528 [1,0,0,1,0,0|2,0,0]=4 9036 B10R1.126 NC(=O)CCSCC1CS1 62a_100000744528_100000031435 [1,0,0,1,0,0|2,0,0]=4 9037 B10R1.126 NC(=O)CCSC[C@@H]1CO1 62a_100000744528_100000745022 [1,0,0,1,0,0|2,0,0]=4 9038 B10R1.126 NC(=O)CCSC[C@@H]1CO1 62a_100000745022_100000744528 [1,0,0,1,0,0|2,0,0]=4 9039 B10R1.126 NC(=O)CNCCC1CC1 2230a_100000711301_100000694398 [1,0,0,1,0,0|1,0,0]=3 9040 B10R1.126 NC(=O)CNCCC1CC1 34a_100000764129_100000187820 [1,0,0,1,0,0|1,0,0]=3 9041 B10R1.126 NC(=O)CNCCC1CO1 2230a_100000711301_100000732470 [1,0,0,1,0,0|2,0,0]=4 9042 B10R1.126 NC(=O)COCCC1CC1 34a_100000754188_100000187820 [1,0,0,1,0,0|1,0,0]=3 9043 B10R1.126 NC(=O)COCCC1CC1 7a_100000754188_100000187820 [1,0,0,1,0,0|1,0,0]=3 9044 B10R1.126 NC(=O)COCC[C@@H]1CO1 34a_100009820653_100000187820 [1,0,0,1,0,0|2,0,0]=4 9045 B10R1.126 NC(=O)CSCCC1CC1 62a_100000747473_100000764125 [1,0,0,1,0,0|1,0,0]=3 9046 B10R1.126 NC(=O)CSCCC1CC1 62a_100000764125_100000747473 [1,0,0,1,0,0|1,0,0]=3 9047 B10R1.126 NC(=O)CSCCC1CO1 62a_100000732470_100000747473 [1,0,0,1,0,0|2,0,0]=4 9048 B10R1.126 NC(=O)CSCCC1CO1 62a_100000747473_100000732470 [1,0,0,1,0,0|2,0,0]=4 9049 B10R1.126 NC(=O)NCCNC1CC1 34a_100020590234_100000211595 [1,0,0,1,0,0|2,0,0]=4 9050 B10R1.126 NC(=O)NCCOC1CC1 34a_100000181757_100000211595 [1,0,0,1,0,0|2,0,0]=4 9051 B10R1.126 NC(=O)NCCSC1CC1 62a_200000034859_100000211595 [1,0,0,1,0,0|2,0,0]=4 9052 B10R1.126 NC(=O)OCCNC1CC1 34a_100000212008_200011214921 [1,0,0,1,0,0|2,0,0]=4 9053 B10R1.126 NC(=O)OCCSC1CC1 62a_200011214921_100000211595 [1,0,0,1,0,0|2,0,0]=4 9054 B10R1.126 O=C(O)CNCCC1CC1 269956a_100016091260_100000694398 [1,0,0,1,0,0|1,0,0]=3 9055 B10R1.126 O=C(O)CNCCC1CO1 269956a_100016091260_100000732470 [1,0,0,1,0,0|2,0,0]=4 9056 B10R1.126 O=C(O)CONCC1CC1 269956a_100000106656_100000742324 [1,0,0,1,0,0|2,0,0]=4 9057 B10R1.126 O=C([O-])CNCCC1CC1 34a_100000764129_100020667443 [1,0,0,1,0,0|1,0,1]=4 9058 B10R1.126 O=C([O-])COCCC1CC1 34a_100000754188_100020667443 [1,0,0,1,0,0|1,0,1]=4 9059 B10R1.126 O=C([O-])CSCCC1CC1 62a_100000764125_100020667443 [1,0,0,1,0,0|1,0,1]=4 9060 B10R1.126 O=C([O-])CSCCC1CC1 62a_100020667443_100000764125 [1,0,0,1,0,0|1,0,1]=4 9061 B10R1.127 CC(=O)CCCN1CCC1 269982a_100000754969_100011215641 [1,0,0,1,0,0|2,0,0]=4 9062 B10R1.127 CC(=O)CCOC1CCC1 34a_100000759926_100000749161 [1,0,0,1,0,0|2,0,0]=4 9063 B10R1.127 CC(=O)CCSC1CCC1 62a_100000053229_100000749161 [1,0,0,1,0,0|2,0,0]=4 9064 B10R1.127 CC(=O)COCC1CCC1 34a_100000211253_100000763275 [1,0,0,1,0,0|2,0,0]=4 9065 B10R1.127 NC(=O)CCCN1CCC1 269982a_100000754969_100102525003 [1,0,0,1,0,0|1,0,0]=3 9066 B10R1.127 NC(=O)CCNC1CCC1 2230a_100000749019_100000744528 [1,0,0,1,0,0|1,0,0]=3 9067 B10R1.127 NC(=O)CCNC1CCC1 34a_100000749019_100000731001 [1,0,0,1,0,0|1,0,0]=3 9068 B10R1.127 NC(=O)CCNC1COC1 2230a_100016991112_100000744528 [1,0,0,1,0,0|2,0,0]=4 9069 B10R1.127 NC(=O)CCOC1CCC1 34a_100000748187_100000731001 [1,0,0,1,0,0|1,0,0]=3 9070 B10R1.127 NC(=O)CCOC1CCC1 34a_100000757172_100000749161 [1,0,0,1,0,0|1,0,0]=3 9071 B10R1.127 NC(=O)CCOC1COC1 34a_100000757172_100009818527 [1,0,0,1,0,0|2,0,0]=4 9072 B10R1.127 NC(=O)CCOC1COC1 7a_100000757172_100009818527 [1,0,0,1,0,0|2,0,0]=4 9073 B10R1.127 NC(=O)CCOC1CSC1 7a_100000072292_100000744528 [1,0,0,1,0,0|2,0,0]=4 9074 B10R1.127 NC(=O)CCSC1CCC1 62a_100000744528_100000749161 [1,0,0,1,0,0|1,0,0]=3 9075 B10R1.127 NC(=O)CCSC1COC1 62a_100000744528_100009818527 [1,0,0,1,0,0|2,0,0]=4 9076 B10R1.127 NC(=O)CNCC1CCC1 2230a_100000711301_100000763275 [1,0,0,1,0,0|1,0,0]=3 9077 B10R1.127 NC(=O)CNCC1CCC1 2230a_100000738700_100000747473 [1,0,0,1,0,0|1,0,0]=3 9078 B10R1.127 NC(=O)CNCC1CCC1 34a_100000738700_100000187820 [1,0,0,1,0,0|1,0,0]=3 9079 B10R1.127 NC(=O)CNCC1CCO1 2230a_100000711301_100000103362 [1,0,0,1,0,0|2,0,0]=4 9080 B10R1.127 NC(=O)CNCC1COC1 2230a_100000711301_100010264016 [1,0,0,1,0,0|2,0,0]=4 9081 B10R1.127 NC(=O)CNCC1COC1 2230a_100015281925_100000747473 [1,0,0,1,0,0|2,0,0]=4 9082 B10R1.127 NC(=O)CNCC1COC1 34a_100015281925_100000187820 [1,0,0,1,0,0|2,0,0]=4 9083 B10R1.127 NC(=O)CNC[C@@H]1CCO1 2230a_100020831831_100000747473 [1,0,0,1,0,0|2,0,0]=4 9084 B10R1.127 NC(=O)CNC[C@@H]1CCO1 34a_100020831831_100000187820 [1,0,0,1,0,0|2,0,0]=4 9085 B10R1.127 NC(=O)COCC1CCC1 34a_100000760304_100000187820 [1,0,0,1,0,0|1,0,0]=3 9086 B10R1.127 NC(=O)COCC1CCO1 34a_100000039022_100000187820 [1,0,0,1,0,0|2,0,0]=4 9087 B10R1.127 NC(=O)COCC1CNC1 34a_100016987283_100000187820 [1,0,0,1,0,0|2,0,0]=4 9088 B10R1.127 NC(=O)COCC1COC1 34a_100000060846_100000187820 [1,0,0,1,0,0|2,0,0]=4 9089 B10R1.127 NC(=O)CSCC1CCC1 62a_100000747473_100000763275 [1,0,0,1,0,0|1,0,0]=3 9090 B10R1.127 NC(=O)CSCC1CCC1 62a_100000763275_100000747473 [1,0,0,1,0,0|1,0,0]=3 9091 B10R1.127 NC(=O)CSCC1CCO1 62a_100000103362_100000747473 [1,0,0,1,0,0|2,0,0]=4 9092 B10R1.127 NC(=O)CSCC1CCO1 62a_100000747473_100000103362 [1,0,0,1,0,0|2,0,0]=4 9093 B10R1.127 NC(=O)CSCC1COC1 62a_100000747473_100010264016 [1,0,0,1,0,0|2,0,0]=4 9094 B10R1.127 NC(=O)CSCC1COC1 62a_100010264016_100000747473 [1,0,0,1,0,0|2,0,0]=4 9095 B10R1.127 NC(=O)NCCN1CCC1 269982a_100000754969_200000034859 [1,0,0,1,0,0|2,0,0]=4 9096 B10R1.127 NC(=O)OCCN1CCC1 269982a_100000754969_200011214921 [1,0,0,1,0,0|2,0,0]=4 9097 B10R1.127 O=C(O)CNCC1CCC1 269956a_100016091260_100000763275 [1,0,0,1,0,0|1,0,0]=3 9098 B10R1.127 O=C(O)CNCC1CCO1 269956a_100016091260_100000103362 [1,0,0,1,0,0|2,0,0]=4 9099 B10R1.127 O=C(O)CNCC1COC1 269956a_100016091260_100010264016 [1,0,0,1,0,0|2,0,0]=4 9100 B10R1.127 O=C(O)CONC1CCC1 269956a_100000106656_100000749161 [1,0,0,1,0,0|2,0,0]=4 9101 B10R1.127 O=C([O-])CNCC1CCC1 34a_100000738700_100020667443 [1,0,0,1,0,0|1,0,1]=4 9102 B10R1.127 O=C([O-])COCC1CCC1 34a_100000760304_100020667443 [1,0,0,1,0,0|1,0,1]=4 9103 B10R1.127 O=C([O-])CSCC1CCC1 62a_100000763275_100020667443 [1,0,0,1,0,0|1,0,1]=4 9104 B10R1.127 O=C([O-])CSCC1CCC1 62a_100020667443_100000763275 [1,0,0,1,0,0|1,0,1]=4 9105 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000070787_100011217769 [1,0,0,1,0,0|1,0,0]=3 9106 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000749507_200000210301 [1,0,0,1,0,0|1,0,0]=3 9107 B10R1.348 CC(=O)N1CCCCCC1 11a_100000185865_100015343762 [1,0,0,1,0,0|2,0,0]=4 9108 B10R1.348 CC(=O)N1CCCCCC1 1626a_100000185865_100015343762 [1,0,0,1,0,0|2,0,0]=4 9109 B10R1.348 CC(=O)N1CCCCCC1 240690a_100000185865_100015343762 [1,0,0,1,0,0|2,0,0]=4 9110 B10R1.348 CC(=O)N1CCCCCC1 527a_100000185865_100103153847 [1,0,0,1,0,0|2,0,0]=4 9111 B10R1.348 [13CH3]C(=O)C1CCCCCC1 1458a_100000749507_200025704644 [1,0,0,1,0,0|1,0,0]=3 9112 B10R1.4 CCCC1CCCCN1C 2230a_100000701414_200000210301 [1,0,0,1,0,0|1,0,1]=4 9113 B10R1.4 CCCC1CCCCN1C 269982a_100000701414_200000210301 [1,0,0,1,0,0|1,0,1]=4 9114 B10R1.4 CCCC1CCCCN1C 34a_100000701414_200000210301 [1,0,0,1,0,0|1,0,1]=4 9115 B10R1.4 CCCC1CCCCN1[13CH3] 2230a_100000701414_200025704644 [1,0,0,1,0,0|1,0,1]=4 9116 B10R1.4 CCCC1CCCCN1[13CH3] 269982a_100000701414_200025704644 [1,0,0,1,0,0|1,0,1]=4 9117 B10R1.4 CCCC1CCCCN1[13CH3] 34a_100000701414_200025704644 [1,0,0,1,0,0|1,0,1]=4 9118 B10R1.5 CCCC1CCCC1NC 269862a_106832991636_100000723119 [1,0,0,1,0,0|1,0,1]=4 9119 B10R1.5 CCCC1CCCC1NC 270004a_106832991635_100000723119 [1,0,0,1,0,0|1,0,1]=4 9120 B10R1.17 CCOCC1CCC=CO1 34a_100011217868_100000210202 [1,0,0,1,0,0|2,0,0]=4 9121 B10R1.17 CNCCC1CCCCC1 2230a_100000738074_200000210301 [1,0,0,1,0,0|1,0,1]=4 9122 B10R1.17 CNCCC1CCCCC1 2230a_106832991635_100012355289 [1,0,0,1,0,0|1,0,1]=4 9123 B10R1.17 CNCCC1CCCCC1 270004a_106832991635_100011713444 [1,0,0,1,0,0|1,0,1]=4 9124 B10R1.17 CNCCC1CCCCC1 34a_100000738074_200000210301 [1,0,0,1,0,0|1,0,1]=4 9125 B10R1.17 CNCCC1CCCCC1 34a_100102657272_100011209188 [1,0,0,1,0,0|1,0,1]=4 9126 B10R1.17 CNCCC1CCCCC1 7a_106832991635_100011273959 [1,0,0,1,0,0|1,0,1]=4 9127 B10R1.17 [13CH3]NCCC1CCCCC1 2230a_100000738074_200025704644 [1,0,0,1,0,0|1,0,1]=4 9128 B10R1.17 [13CH3]NCCC1CCCCC1 34a_100000738074_200025704644 [1,0,0,1,0,0|1,0,1]=4 9129 B10R1.20 CCC1CCCCC1NC 269862a_106832991636_100000757040 [1,0,0,1,0,0|1,0,1]=4 9130 B10R1.20 CCC1CCCCC1NC 270004a_106832991635_100000757040 [1,0,0,1,0,0|1,0,1]=4 9131 B10R1.21 CNCCCC1CCCC1 2230a_100000736752_200000210301 [1,0,0,1,0,0|1,0,1]=4 9132 B10R1.21 CNCCCC1CCCC1 2230a_106832991635_100011713738 [1,0,0,1,0,0|1,0,1]=4 9133 B10R1.21 CNCCCC1CCCC1 34a_100000736752_200000210301 [1,0,0,1,0,0|1,0,1]=4 9134 B10R1.21 CNCCCC1CCCC1 34a_100102657272_100011713738 [1,0,0,1,0,0|1,0,1]=4 9135 B10R1.21 CNCCCC1CCCC1 7a_106832991635_100011713738 [1,0,0,1,0,0|1,0,1]=4 9136 B10R1.21 [13CH3]NCCCC1CCCC1 2230a_100000736752_200025704644 [1,0,0,1,0,0|1,0,1]=4 9137 B10R1.21 [13CH3]NCCCC1CCCC1 34a_100000736752_200025704644 [1,0,0,1,0,0|1,0,1]=4 9138 B10R1.85 CNCC1CCCCCC1 2230a_100015204231_200000210301 [1,0,0,1,0,0|1,0,1]=4 9139 B10R1.85 CNCC1CCCCCC1 2230a_106832991635_200000696569 [1,0,0,1,0,0|1,0,1]=4 9140 B10R1.85 CNCC1CCCCCC1 269862a_106832991636_200000763224 [1,0,0,1,0,0|1,0,1]=4 9141 B10R1.85 CNCC1CCCCCC1 34a_100015204231_200000210301 [1,0,0,1,0,0|1,0,1]=4 9142 B10R1.85 CNCC1CCCCCC1 34a_100102657272_200000696569 [1,0,0,1,0,0|1,0,1]=4 9143 B10R1.85 CNCC1CCCCCC1 7a_106832991635_200000696569 [1,0,0,1,0,0|1,0,1]=4 9144 B10R1.85 [13CH3]NCC1CCCCCC1 2230a_100015204231_200025704644 [1,0,0,1,0,0|1,0,1]=4 9145 B10R1.85 [13CH3]NCC1CCCCCC1 34a_100015204231_200025704644 [1,0,0,1,0,0|1,0,1]=4 9146 B10R1.161 CNC1CCCCCCC1 2230a_100000211152_200000210301 [1,0,0,1,0,0|1,0,1]=4 9147 B10R1.161 CNC1CCCCCCC1 270004a_106832991635_100000210524 [1,0,0,1,0,0|1,0,1]=4 9148 B10R1.161 CNC1CCCCCCC1 34a_100000211152_200000210301 [1,0,0,1,0,0|1,0,1]=4 9149 B10R1.161 [13CH3]NC1CCCCCCC1 2230a_100000211152_200025704644 [1,0,0,1,0,0|1,0,1]=4 9150 B10R1.161 [13CH3]NC1CCCCCCC1 34a_100000211152_200025704644 [1,0,0,1,0,0|1,0,1]=4 9151 B10R1.1 CCNC1CCC(=O)NC1 2230a_100000748762_100000210202 [1,0,0,1,0,0|2,0,0]=4 9152 B10R1.1 CCNC1CCC(=O)NC1 34a_100000748762_100000210202 [1,0,0,1,0,0|2,0,0]=4 9153 B10R1.1 CCOC1CCC(=O)NC1 34a_100000079199_100000210202 [1,0,0,1,0,0|2,0,0]=4 9154 B10R1.15 C#CC(=O)C1CCCCC1 1458a_100000211873_100000210327 [1,0,0,1,0,0|2,0,0]=4 9155 B10R1.15 C=CC(=O)C1CCCCC1 1458a_100000185746_100000210327 [1,0,0,1,0,0|2,0,0]=4 9156 B10R1.15 CCC(=O)C1CCCCC1 1458a_100000210414_100000210327 [1,0,0,1,0,0|2,0,0]=4 9157 B10R1.15 CCC(=O)C1CCCCC1 1458a_100000210647_100000210202 [1,0,0,1,0,0|2,0,0]=4 9158 B10R1.15 CNC(=O)C1CCCCC1 11a_106832991635_100000210647 [1,0,0,1,0,0|1,0,0]=3 9159 B10R1.15 CNC(=O)C1CCCCC1 1626a_100102657272_100000210647 [1,0,0,1,0,0|1,0,0]=3 9160 B10R1.15 CNC(=O)C1CCCCC1 240690a_100102657272_100000210647 [1,0,0,1,0,0|1,0,0]=3 9161 B10R1.15 CNC(=O)C1CCCCC1 527a_100102657272_100000210647 [1,0,0,1,0,0|1,0,0]=3 9162 B10R1.15 CNC(=O)C1CCCCO1 11a_106832991635_100000748299 [1,0,0,1,0,0|2,0,0]=4 9163 B10R1.15 CNC(=O)C1CCCCO1 1626a_100102657272_100000748299 [1,0,0,1,0,0|2,0,0]=4 9164 B10R1.15 CNC(=O)C1CCCCO1 240690a_100102657272_100000748299 [1,0,0,1,0,0|2,0,0]=4 9165 B10R1.15 CNC(=O)C1CCCCO1 527a_100102657272_100000748299 [1,0,0,1,0,0|2,0,0]=4 9166 B10R1.15 CNC(=O)C1CCCOC1 11a_106832991635_100000741522 [1,0,0,1,0,0|2,0,0]=4 9167 B10R1.15 CNC(=O)C1CCCOC1 1626a_100102657272_100000741522 [1,0,0,1,0,0|2,0,0]=4 9168 B10R1.15 CNC(=O)C1CCCOC1 240690a_100102657272_100000741522 [1,0,0,1,0,0|2,0,0]=4 9169 B10R1.15 CNC(=O)C1CCCOC1 527a_100102657272_100000741522 [1,0,0,1,0,0|2,0,0]=4 9170 B10R1.15 CNC(=O)C1CCOCC1 11a_106832991635_100000195482 [1,0,0,1,0,0|2,0,0]=4 9171 B10R1.15 CNC(=O)C1CCOCC1 1626a_100102657272_100000195482 [1,0,0,1,0,0|2,0,0]=4 9172 B10R1.15 CNC(=O)C1CCOCC1 240690a_100102657272_100000195482 [1,0,0,1,0,0|2,0,0]=4 9173 B10R1.15 CNC(=O)C1CCOCC1 527a_100102657272_100000195482 [1,0,0,1,0,0|2,0,0]=4 9174 B10R1.15 CNC(=O)C1CCSCC1 11a_106832991635_100000755232 [1,0,0,1,0,0|2,0,0]=4 9175 B10R1.15 CNC(=O)C1CCSCC1 1626a_100102657272_100000755232 [1,0,0,1,0,0|2,0,0]=4 9176 B10R1.15 CNC(=O)C1CCSCC1 240690a_100102657272_100000755232 [1,0,0,1,0,0|2,0,0]=4 9177 B10R1.15 CNC(=O)C1CCSCC1 527a_100102657272_100000755232 [1,0,0,1,0,0|2,0,0]=4 9178 B10R1.15 O=C(CF)C1CCCCC1 1458a_100000210647_100015361967 [1,0,0,1,0,0|2,0,0]=4 9179 B10R1.15 O=C(CO)C1CCCCC1 1458a_100000210174_100000210327 [1,0,0,1,0,0|1,0,0]=3 9180 B10R1.15 O=C(CO)C1CCCOC1 1458a_100000210174_100000693364 [1,0,0,1,0,0|2,0,0]=4 9181 B10R1.15 O=C(CO)C1CCOCC1 1458a_100000210174_100011324220 [1,0,0,1,0,0|2,0,0]=4 9182 B10R1.27 C#CC(=O)CC1CCCC1 1458a_100000211873_100000740388 [1,0,0,1,0,0|2,0,0]=4 9183 B10R1.27 C=CC(=O)CC1CCCC1 1458a_100000185746_100000740388 [1,0,0,1,0,0|2,0,0]=4 9184 B10R1.27 CCC(=O)CC1CCCC1 1458a_100000210414_100000740388 [1,0,0,1,0,0|2,0,0]=4 9185 B10R1.27 CCC(=O)CC1CCCC1 1458a_100000210891_100000210202 [1,0,0,1,0,0|2,0,0]=4 9186 B10R1.27 CNC(=O)CC1CCCC1 11a_106832991635_100000210891 [1,0,0,1,0,0|1,0,0]=3 9187 B10R1.27 CNC(=O)CC1CCCC1 1626a_100102657272_100000210891 [1,0,0,1,0,0|1,0,0]=3 9188 B10R1.27 CNC(=O)CC1CCCC1 240690a_100102657272_100000210891 [1,0,0,1,0,0|1,0,0]=3 9189 B10R1.27 CNC(=O)CC1CCCC1 527a_100102657272_100000210891 [1,0,0,1,0,0|1,0,0]=3 9190 B10R1.27 CNC(=O)CC1CCOC1 11a_106832991635_100011218419 [1,0,0,1,0,0|2,0,0]=4 9191 B10R1.27 CNC(=O)CC1CCOC1 1626a_100102657272_100011218419 [1,0,0,1,0,0|2,0,0]=4 9192 B10R1.27 CNC(=O)CC1CCOC1 240690a_100102657272_100011218419 [1,0,0,1,0,0|2,0,0]=4 9193 B10R1.27 CNC(=O)CC1CCOC1 527a_100102657272_100011218419 [1,0,0,1,0,0|2,0,0]=4 9194 B10R1.27 CNC(=O)CN1CCCC1 2230a_100000188435_100000183359 [1,0,0,1,0,0|2,0,0]=4 9195 B10R1.27 CNC(=O)CN1CCCC1 240690a_100102657272_100000740243 [1,0,0,1,0,0|2,0,0]=4 9196 B10R1.27 CNC(=O)CN1CCCC1 269982a_100000188435_100000183359 [1,0,0,1,0,0|2,0,0]=4 9197 B10R1.27 CNC(=O)CN1CCCC1 527a_100102657272_100000740243 [1,0,0,1,0,0|2,0,0]=4 9198 B10R1.27 CNC(=O)NC1CCCC1 2708a_100000211070_106832991635 [1,0,0,1,0,0|2,0,0]=4 9199 B10R1.27 CNC(=O)NC1CCCC1 2708a_100102657272_100000211070 [1,0,0,1,0,0|2,0,0]=4 9200 B10R1.27 CNC(=O)NC1CCCC1 273464a_100000211070_100102657272 [1,0,0,1,0,0|2,0,0]=4 9201 B10R1.27 CNC(=O)NC1CCCC1 273464a_100102657272_100000211070 [1,0,0,1,0,0|2,0,0]=4 9202 B10R1.27 CNC(=O)NC1CCCC1 512a_100000211070_100102657272 [1,0,0,1,0,0|2,0,0]=4 9203 B10R1.27 CNC(=O)NC1CCCC1 512a_106832991638_100000211070 [1,0,0,1,0,0|2,0,0]=4 9204 B10R1.27 O=C(CF)CC1CCCC1 1458a_100000210891_100015361967 [1,0,0,1,0,0|2,0,0]=4 9205 B10R1.27 O=C(CO)CC1CCCC1 1458a_100000210174_100000740388 [1,0,0,1,0,0|1,0,0]=3 9206 B10R1.27 O=C(CO)CC1CCCO1 1458a_100000210174_100000203698 [1,0,0,1,0,0|2,0,0]=4 9207 B10R1.27 O=C(CO)CC1CCOC1 1458a_100000210174_100000702531 [1,0,0,1,0,0|2,0,0]=4 9208 B10R1.27 O=C(CO)NC1CCCC1 240690a_100000211070_100000210174 [1,0,0,1,0,0|2,0,0]=4 9209 B10R1.27 O=C(CO)NC1CCCC1 527a_100000211070_100000210174 [1,0,0,1,0,0|2,0,0]=4 9210 B10R1.149 CC1CCCC1C(=O)CF 1458a_100000690547_100015361967 [1,0,0,1,0,0|2,0,0]=4 9211 B10R1.149 CCC(=O)C1CCCC1C 1458a_100000690547_100000210202 [1,0,0,1,0,0|2,0,0]=4 9212 B10R1.149 CNC(=O)C1CCCC1C 11a_106832991635_100000690547 [1,0,0,1,0,0|1,0,0]=3 9213 B10R1.149 CNC(=O)C1CCCC1C 1626a_100102657272_100000690547 [1,0,0,1,0,0|1,0,0]=3 9214 B10R1.149 CNC(=O)C1CCCC1C 240690a_100102657272_100000690547 [1,0,0,1,0,0|1,0,0]=3 9215 B10R1.149 CNC(=O)C1CCCC1C 527a_100102657272_100000690547 [1,0,0,1,0,0|1,0,0]=3 9216 B10R1.149 CNC(=O)N1CCC[C@@H]1C 2708a_100102657272_100020605311 [1,0,0,1,0,0|2,0,0]=4 9217 B10R1.149 CNC(=O)N1CCC[C@@H]1C 273464a_100102657272_100020605311 [1,0,0,1,0,0|2,0,0]=4 9218 B10R1.149 CNC(=O)N1CCC[C@H]1C 2708a_100102657272_100015189458 [1,0,0,1,0,0|2,0,0]=4 9219 B10R1.149 CNC(=O)N1CCC[C@H]1C 273464a_100102657272_100015189458 [1,0,0,1,0,0|2,0,0]=4 9220 B10R1.149 CNC(=O)[C@@H]1CCCN1C 11a_106832991635_100009816429 [1,0,0,1,0,0|2,0,0]=4 9221 B10R1.149 CNC(=O)[C@@H]1CCCN1C 2230a_100015185040_200000210301 [1,0,0,1,0,0|2,0,0]=4 9222 B10R1.149 CNC(=O)[C@@H]1CCCN1C 240690a_100102657272_100009816429 [1,0,0,1,0,0|2,0,0]=4 9223 B10R1.149 CNC(=O)[C@@H]1CCCN1C 269982a_100015185040_200000210301 [1,0,0,1,0,0|2,0,0]=4 9224 B10R1.149 CNC(=O)[C@@H]1CCCN1C 34a_100015185040_200000210301 [1,0,0,1,0,0|2,0,0]=4 9225 B10R1.149 CNC(=O)[C@@H]1CCCN1C 527a_100102657272_100009816429 [1,0,0,1,0,0|2,0,0]=4 9226 B10R1.149 CNC(=O)[C@@H]1CCCN1[13CH3] 2230a_100015185040_200025704644 [1,0,0,1,0,0|2,0,0]=4 9227 B10R1.149 CNC(=O)[C@@H]1CCCN1[13CH3] 269982a_100015185040_200025704644 [1,0,0,1,0,0|2,0,0]=4 9228 B10R1.149 CNC(=O)[C@@H]1CCCN1[13CH3] 34a_100015185040_200025704644 [1,0,0,1,0,0|2,0,0]=4 9229 B10R1.149 C[C@@H]1CCCN1C(=O)CO 240690a_100015189458_100000210174 [1,0,0,1,0,0|2,0,0]=4 9230 B10R1.149 C[C@@H]1CCCN1C(=O)CO 527a_100015189458_100000210174 [1,0,0,1,0,0|2,0,0]=4 9231 B10R1.149 C[C@H]1CCCN1C(=O)CO 240690a_100020605311_100000210174 [1,0,0,1,0,0|2,0,0]=4 9232 B10R1.149 C[C@H]1CCCN1C(=O)CO 527a_100020605311_100000210174 [1,0,0,1,0,0|2,0,0]=4 9233 B10R1.151 CNC(=O)CCN1CCC1 269982a_100000754969_100000737683 [1,0,0,1,0,0|2,0,0]=4 9234 B10R1.151 CNC(=O)CNC1CCC1 2230a_100000749019_100000183359 [1,0,0,1,0,0|2,0,0]=4 9235 B10R1.151 CNC(=O)CNC1CCC1 270004a_100000693194_100000241760 [1,0,0,1,0,0|2,0,0]=4 9236 B10R1.151 CNC(=O)CNC1CCC1 34a_100000749019_100000183359 [1,0,0,1,0,0|2,0,0]=4 9237 B10R1.151 CNC(=O)COC1CCC1 34a_100000748187_100000183359 [1,0,0,1,0,0|2,0,0]=4 9238 B10R1.151 CNC(=O)COC1CCC1 34a_100000750040_100000749161 [1,0,0,1,0,0|2,0,0]=4 9239 B10R1.151 CNC(=O)CSC1CCC1 62a_100000183359_100000749161 [1,0,0,1,0,0|2,0,0]=4 9240 B10R1.151 CNC(=O)NCC1CCC1 2708a_100000738700_106832991635 [1,0,0,1,0,0|2,0,0]=4 9241 B10R1.151 CNC(=O)NCC1CCC1 2708a_100102657272_100000738700 [1,0,0,1,0,0|2,0,0]=4 9242 B10R1.151 CNC(=O)NCC1CCC1 273464a_100000738700_100102657272 [1,0,0,1,0,0|2,0,0]=4 9243 B10R1.151 CNC(=O)NCC1CCC1 273464a_100102657272_100000738700 [1,0,0,1,0,0|2,0,0]=4 9244 B10R1.151 CNC(=O)NCC1CCC1 512a_100000738700_100102657272 [1,0,0,1,0,0|2,0,0]=4 9245 B10R1.151 CNC(=O)NCC1CCC1 512a_106832991638_100000738700 [1,0,0,1,0,0|2,0,0]=4 9246 B10R1.151 O=C(CO)NCC1CCC1 240690a_100000738700_100000210174 [1,0,0,1,0,0|2,0,0]=4 9247 B10R1.151 O=C(CO)NCC1CCC1 527a_100000738700_100000210174 [1,0,0,1,0,0|2,0,0]=4 9248 B10R1.153 CNC(=O)CCNC1CC1 34a_100000212008_100012179268 [1,0,0,1,0,0|2,0,0]=4 9249 B10R1.153 CNC(=O)CCNC1CC1 34a_100000738227_100000211595 [1,0,0,1,0,0|2,0,0]=4 9250 B10R1.153 CNC(=O)CCOC1CC1 34a_100000754576_100000211595 [1,0,0,1,0,0|2,0,0]=4 9251 B10R1.153 CNC(=O)CCSC1CC1 62a_100000737683_100000211595 [1,0,0,1,0,0|2,0,0]=4 9252 B10R1.153 CNC(=O)CNCC1CC1 2230a_100000693194_100000742324 [1,0,0,1,0,0|2,0,0]=4 9253 B10R1.153 CNC(=O)CNCC1CC1 2230a_100000735609_100000183359 [1,0,0,1,0,0|2,0,0]=4 9254 B10R1.153 CNC(=O)CNCC1CC1 269862a_100000693194_100000741477 [1,0,0,1,0,0|2,0,0]=4 9255 B10R1.153 CNC(=O)CNCC1CC1 34a_100000735609_100000183359 [1,0,0,1,0,0|2,0,0]=4 9256 B10R1.153 CNC(=O)COCC1CC1 34a_100000211283_100000183359 [1,0,0,1,0,0|2,0,0]=4 9257 B10R1.153 CNC(=O)COCC1CC1 34a_100000750040_100000742324 [1,0,0,1,0,0|2,0,0]=4 9258 B10R1.153 CNC(=O)CSCC1CC1 11a_106832991635_200011316215 [1,0,0,1,0,0|2,0,0]=4 9259 B10R1.153 CNC(=O)CSCC1CC1 1626a_100102657272_200011316215 [1,0,0,1,0,0|2,0,0]=4 9260 B10R1.153 CNC(=O)CSCC1CC1 240690a_100102657272_200011316215 [1,0,0,1,0,0|2,0,0]=4 9261 B10R1.153 CNC(=O)CSCC1CC1 527a_100102657272_200011316215 [1,0,0,1,0,0|2,0,0]=4 9262 B10R1.153 CNC(=O)CSCC1CC1 62a_100000183359_100000742324 [1,0,0,1,0,0|2,0,0]=4 9263 B10R1.153 CNC(=O)CSCC1CC1 62a_100000756562_100000183359 [1,0,0,1,0,0|2,0,0]=4 9264 B10R1.153 CNC(=O)NCCC1CC1 2708a_100000764129_106832991635 [1,0,0,1,0,0|2,0,0]=4 9265 B10R1.153 CNC(=O)NCCC1CC1 2708a_100102657272_100000764129 [1,0,0,1,0,0|2,0,0]=4 9266 B10R1.153 CNC(=O)NCCC1CC1 273464a_100000764129_100102657272 [1,0,0,1,0,0|2,0,0]=4 9267 B10R1.153 CNC(=O)NCCC1CC1 273464a_100102657272_100000764129 [1,0,0,1,0,0|2,0,0]=4 9268 B10R1.153 CNC(=O)NCCC1CC1 512a_100000764129_100102657272 [1,0,0,1,0,0|2,0,0]=4 9269 B10R1.153 CNC(=O)NCCC1CC1 512a_106832991638_100000764129 [1,0,0,1,0,0|2,0,0]=4 9270 B10R1.153 O=C(CO)CCCC1CO1 1458a_100000210174_100000733510 [1,0,0,1,0,0|2,0,0]=4 9271 B10R1.153 O=C(CO)NCCC1CC1 240690a_100000764129_100000210174 [1,0,0,1,0,0|2,0,0]=4 9272 B10R1.153 O=C(CO)NCCC1CC1 527a_100000764129_100000210174 [1,0,0,1,0,0|2,0,0]=4 9273 B10R1.463 CNC(=O)CN1CCC1C 269982a_100000755817_100000183359 [1,0,0,1,0,0|2,0,0]=4 9274 B10R1.463 CNC(=O)CN1CCC1C 34a_100000755817_100000183359 [1,0,0,1,0,0|2,0,0]=4 9275 B12R1.28 CCCCCN1CCNC(=O)C1 2230a_100000184651_100000210326 [0,1,0,1,0,0|2,0,0]=4 9276 B12R1.28 CCCCNC1CCNC(=O)C1 2230a_100016994916_100000210211 [0,1,0,1,0,0|2,0,0]=4 9277 B12R1.28 CCCCNC1CCNC(=O)C1 34a_100016994916_100000210210 [0,1,0,1,0,0|2,0,0]=4 9278 B12R1.28 CCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210210 [0,1,0,1,0,0|2,0,0]=4 9279 B12R1.28 CCCOCC1CCNC(=O)C1 34a_100009886756_100000210303 [0,1,0,1,0,0|2,0,0]=4 9280 B12R1.32 C#CCC(=O)CC1CCCCC1 1458a_100000211666_100000184674 [0,1,0,1,0,0|2,0,0]=4 9281 B12R1.32 C#CCC(=O)CC1CCCCC1 1458a_100011220946_100000211423 [0,1,0,1,0,0|2,0,0]=4 9282 B12R1.32 C=CCC(=O)CC1CCCCC1 1458a_100000210193_100000211423 [0,1,0,1,0,0|2,0,0]=4 9283 B12R1.32 C=CCC(=O)CC1CCCCC1 1458a_100000211666_100000210623 [0,1,0,1,0,0|2,0,0]=4 9284 B12R1.32 CC#CC(=O)CC1CCCCC1 1458a_100000763181_100000211423 [0,1,0,1,0,0|2,0,0]=4 9285 B12R1.32 CC=CC(=O)CC1CCCCC1 1458a_100000210699_100000211423 [0,1,0,1,0,0|2,0,0]=4 9286 B12R1.32 CCCC(=O)CC1CCCCC1 1458a_100000211666_100000210303 [0,1,0,1,0,0|2,0,0]=4 9287 B12R1.32 CCCC(=O)CC1CCCCC1 1458a_100000211992_100000211423 [0,1,0,1,0,0|2,0,0]=4 9288 B12R1.32 CCNC(=O)CC1CCCCC1 11a_100015525214_100000211666 [0,1,0,1,0,0|1,0,0]=3 9289 B12R1.32 CCNC(=O)CC1CCCCC1 240690a_100015525214_100000211666 [0,1,0,1,0,0|1,0,0]=3 9290 B12R1.32 CCNC(=O)CC1CCCCC1 527a_100015525214_100000211666 [0,1,0,1,0,0|1,0,0]=3 9291 B12R1.32 CCNC(=O)CC1CCCCO1 11a_100015525214_100000238585 [0,1,0,1,0,0|2,0,0]=4 9292 B12R1.32 CCNC(=O)CC1CCCCO1 240690a_100015525214_100000238585 [0,1,0,1,0,0|2,0,0]=4 9293 B12R1.32 CCNC(=O)CC1CCCCO1 527a_100015525214_100000238585 [0,1,0,1,0,0|2,0,0]=4 9294 B12R1.32 CCNC(=O)CC1CCCOC1 11a_100015525214_100000741523 [0,1,0,1,0,0|2,0,0]=4 9295 B12R1.32 CCNC(=O)CC1CCCOC1 240690a_100015525214_100000741523 [0,1,0,1,0,0|2,0,0]=4 9296 B12R1.32 CCNC(=O)CC1CCCOC1 527a_100015525214_100000741523 [0,1,0,1,0,0|2,0,0]=4 9297 B12R1.32 CCNC(=O)CC1CCOCC1 11a_100015525214_100000757261 [0,1,0,1,0,0|2,0,0]=4 9298 B12R1.32 CCNC(=O)CC1CCOCC1 240690a_100015525214_100000757261 [0,1,0,1,0,0|2,0,0]=4 9299 B12R1.32 CCNC(=O)CC1CCOCC1 527a_100015525214_100000757261 [0,1,0,1,0,0|2,0,0]=4 9300 B12R1.32 CCNC(=O)CN1CCCCC1 11a_100015525214_100000740322 [0,1,0,1,0,0|2,0,0]=4 9301 B12R1.32 CCNC(=O)CN1CCCCC1 240690a_100015525214_100000740322 [0,1,0,1,0,0|2,0,0]=4 9302 B12R1.32 CCNC(=O)CN1CCCCC1 527a_100015525214_100000740322 [0,1,0,1,0,0|2,0,0]=4 9303 B12R1.32 CCNC(=O)NC1CCCCC1 2708a_100000182618_100015525214 [0,1,0,1,0,0|2,0,0]=4 9304 B12R1.32 CCNC(=O)NC1CCCCC1 2708a_100015525214_100000182618 [0,1,0,1,0,0|2,0,0]=4 9305 B12R1.32 CCNC(=O)NC1CCCCC1 273464a_100000182618_100015525214 [0,1,0,1,0,0|2,0,0]=4 9306 B12R1.32 CCNC(=O)NC1CCCCC1 273464a_100015525214_100000182618 [0,1,0,1,0,0|2,0,0]=4 9307 B12R1.32 CNCC(=O)NC1CCCCC1 2230a_100015207117_200000210301 [0,1,0,1,0,0|2,0,0]=4 9308 B12R1.32 CNCC(=O)NC1CCCCC1 2230a_106832991635_100000183541 [0,1,0,1,0,0|2,0,0]=4 9309 B12R1.32 CNCC(=O)NC1CCCCC1 34a_100102657272_100000183541 [0,1,0,1,0,0|2,0,0]=4 9310 B12R1.32 CNCC(=O)NC1CCCCC1 7a_106832991635_100000183541 [0,1,0,1,0,0|2,0,0]=4 9311 B12R1.32 CNCC(=O)OC1CCCCC1 2230a_106832991635_100000041653 [0,1,0,1,0,0|2,0,0]=4 9312 B12R1.32 CNCC(=O)OC1CCCCC1 34a_100102657272_100000041653 [0,1,0,1,0,0|2,0,0]=4 9313 B12R1.32 CNCC(=O)OC1CCCCC1 7a_106832991635_100000041653 [0,1,0,1,0,0|2,0,0]=4 9314 B12R1.32 CNNC(=O)CC1CCCCC1 22a_100016993582_100000211666 [0,1,0,1,0,0|1,0,0]=3 9315 B12R1.32 CNNC(=O)CC1CCCCO1 22a_100016993582_100000238585 [0,1,0,1,0,0|2,0,0]=4 9316 B12R1.32 CNNC(=O)CC1CCCOC1 22a_100016993582_100000741523 [0,1,0,1,0,0|2,0,0]=4 9317 B12R1.32 CNNC(=O)CC1CCOCC1 22a_100016993582_100000757261 [0,1,0,1,0,0|2,0,0]=4 9318 B12R1.32 CNNC(=O)CN1CCCCC1 22a_100016993582_100000740322 [0,1,0,1,0,0|2,0,0]=4 9319 B12R1.32 CNNC(=O)NC1CCCCC1 273464a_100000182618_100016993582 [0,1,0,1,0,0|2,0,0]=4 9320 B12R1.32 COCC(=O)CC1CCCCC1 1458a_100000210968_100000211423 [0,1,0,1,0,0|1,0,0]=3 9321 B12R1.32 COCC(=O)CC1CCCCO1 1458a_100000210968_100000211543 [0,1,0,1,0,0|2,0,0]=4 9322 B12R1.32 COCC(=O)CC1CCCOC1 1458a_100000210968_100000741521 [0,1,0,1,0,0|2,0,0]=4 9323 B12R1.32 COCC(=O)CC1CCOCC1 1458a_100000210968_100000754603 [0,1,0,1,0,0|2,0,0]=4 9324 B12R1.32 COCC(=O)NC1CCCCC1 11a_100000182618_100000210968 [0,1,0,1,0,0|2,0,0]=4 9325 B12R1.32 COCC(=O)NC1CCCCC1 1626a_100000182618_100000210968 [0,1,0,1,0,0|2,0,0]=4 9326 B12R1.32 COCC(=O)NC1CCCCC1 240690a_100000182618_100000210968 [0,1,0,1,0,0|2,0,0]=4 9327 B12R1.32 COCC(=O)NC1CCCCC1 34a_100138415774_100000183541 [0,1,0,1,0,0|2,0,0]=4 9328 B12R1.32 COCC(=O)NC1CCCCC1 527a_100000182618_100000210968 [0,1,0,1,0,0|2,0,0]=4 9329 B12R1.32 COCC(=O)OC1CCCCC1 34a_100138415774_100000041653 [0,1,0,1,0,0|2,0,0]=4 9330 B12R1.32 CSCC(=O)CC1CCCCC1 1458a_100000184570_100000211423 [0,1,0,1,0,0|1,1,0]=4 9331 B12R1.32 N#CCC(=O)CC1CCCCC1 1458a_100000211666_100011214920 [0,1,0,1,0,0|2,0,0]=4 9332 B12R1.32 N#CCC(=O)CC1CCCCC1 1458a_100051588842_100000211423 [0,1,0,1,0,0|2,0,0]=4 9333 B12R1.32 O=C(C=CBr)CC1CCCCC1 1458a_100016273825_100000211423 [0,1,0,1,0,0|2,0,0]=4 9334 B12R1.32 O=C(C=CCl)CC1CCCCC1 1458a_200016279998_100000211423 [0,1,0,1,0,0|2,0,0]=4 9335 B12R1.32 O=C(C=CI)CC1CCCCC1 1458a_100016256311_100000211423 [0,1,0,1,0,0|2,0,0]=4 9336 B12R1.32 O=C(CCF)CC1CCCCC1 1458a_100000211666_100011217306 [0,1,0,1,0,0|2,0,0]=4 9337 B12R1.32 O=C(CCO)CC1CCCCC1 1458a_100000211666_100000211926 [0,1,0,1,0,0|1,0,0]=3 9338 B12R1.32 O=C(CCO)CC1CCCCC1 1458a_100011216618_100000211423 [0,1,0,1,0,0|1,0,0]=3 9339 B12R1.32 O=C(CCO)CC1CCCCO1 1458a_100000238585_100000211926 [0,1,0,1,0,0|2,0,0]=4 9340 B12R1.32 O=C(CCO)CC1CCCCO1 1458a_100011216618_100000211543 [0,1,0,1,0,0|2,0,0]=4 9341 B12R1.32 O=C(CCO)CC1CCCOC1 1458a_100000741523_100000211926 [0,1,0,1,0,0|2,0,0]=4 9342 B12R1.32 O=C(CCO)CC1CCCOC1 1458a_100011216618_100000741521 [0,1,0,1,0,0|2,0,0]=4 9343 B12R1.32 O=C(CCO)CC1CCOCC1 1458a_100000757261_100000211926 [0,1,0,1,0,0|2,0,0]=4 9344 B12R1.32 O=C(CCO)CC1CCOCC1 1458a_100011216618_100000754603 [0,1,0,1,0,0|2,0,0]=4 9345 B12R1.32 O=C(CCO)CN1CCCCC1 1458a_100000740322_100000211926 [0,1,0,1,0,0|2,0,0]=4 9346 B12R1.32 O=C(CCO)NC1CCCCC1 240690a_100000182618_100011216618 [0,1,0,1,0,0|2,0,0]=4 9347 B12R1.32 O=C(CN1CCCOC1)NCO 2230a_100000131196_100000185155 [0,1,0,1,0,0|2,0,0]=4 9348 B12R1.32 O=C(CN1CCCOC1)NCO 269982a_100000131196_100000185155 [0,1,0,1,0,0|2,0,0]=4 9349 B12R1.32 O=C(CN1CCCOC1)NCO 34a_100000131196_100000185155 [0,1,0,1,0,0|2,0,0]=4 9350 B12R1.32 O=C(CN1CCOCC1)NCO 2230a_100015191051_100000185155 [0,1,0,1,0,0|2,0,0]=4 9351 B12R1.32 O=C(CN1CCOCC1)NCO 269982a_100015191051_100000185155 [0,1,0,1,0,0|2,0,0]=4 9352 B12R1.32 O=C(CN1CCOCC1)NCO 34a_100015191051_100000185155 [0,1,0,1,0,0|2,0,0]=4 9353 B12R1.32 O=C(CN1CCSCC1)NCO 2230a_100000737611_100000185155 [0,1,0,1,0,0|2,0,0]=4 9354 B12R1.32 O=C(CN1CCSCC1)NCO 269982a_100000737611_100000185155 [0,1,0,1,0,0|2,0,0]=4 9355 B12R1.32 [13CH3]NCC(=O)NC1CCCCC1 2230a_100015207117_200025704644 [0,1,0,1,0,0|2,0,0]=4 9356 B12R1.51 C#CCC(=O)CCC1CCCC1 1458a_100000211120_100000184674 [0,1,0,1,0,0|2,0,0]=4 9357 B12R1.51 C#CCC(=O)CCC1CCCC1 1458a_100011220946_100000760354 [0,1,0,1,0,0|2,0,0]=4 9358 B12R1.51 C=CCC(=O)CCC1CCCC1 1458a_100000210193_100000760354 [0,1,0,1,0,0|2,0,0]=4 9359 B12R1.51 C=CCC(=O)CCC1CCCC1 1458a_100000211120_100000210623 [0,1,0,1,0,0|2,0,0]=4 9360 B12R1.51 CC#CC(=O)CCC1CCCC1 1458a_100000763181_100000760354 [0,1,0,1,0,0|2,0,0]=4 9361 B12R1.51 CC=CC(=O)CCC1CCCC1 1458a_100000210699_100000760354 [0,1,0,1,0,0|2,0,0]=4 9362 B12R1.51 CCCC(=O)CCC1CCCC1 1458a_100000211120_100000210303 [0,1,0,1,0,0|2,0,0]=4 9363 B12R1.51 CCCC(=O)CCC1CCCC1 1458a_100000211992_100000760354 [0,1,0,1,0,0|2,0,0]=4 9364 B12R1.51 CCNC(=O)CCC1CCCC1 11a_100015525214_100000211120 [0,1,0,1,0,0|1,0,0]=3 9365 B12R1.51 CCNC(=O)CCC1CCCC1 240690a_100015525214_100000211120 [0,1,0,1,0,0|1,0,0]=3 9366 B12R1.51 CCNC(=O)CCC1CCCC1 527a_100015525214_100000211120 [0,1,0,1,0,0|1,0,0]=3 9367 B12R1.51 CCNC(=O)CCC1CCCO1 11a_100015525214_100011247709 [0,1,0,1,0,0|2,0,0]=4 9368 B12R1.51 CCNC(=O)CCC1CCCO1 240690a_100015525214_100011247709 [0,1,0,1,0,0|2,0,0]=4 9369 B12R1.51 CCNC(=O)CCC1CCCO1 527a_100015525214_100011247709 [0,1,0,1,0,0|2,0,0]=4 9370 B12R1.51 CCNC(=O)CCN1CCCC1 2230a_100000188435_100000737597 [0,1,0,1,0,0|2,0,0]=4 9371 B12R1.51 CCNC(=O)CCN1CCCC1 240690a_100015525214_100000738983 [0,1,0,1,0,0|2,0,0]=4 9372 B12R1.51 CCNC(=O)CCN1CCCC1 269982a_100000188435_100000737597 [0,1,0,1,0,0|2,0,0]=4 9373 B12R1.51 CCNC(=O)CNC1CCCC1 2230a_100000211070_100000183381 [0,1,0,1,0,0|2,0,0]=4 9374 B12R1.51 CCNC(=O)CNC1CCCC1 2230a_100016988866_100000179811 [0,1,0,1,0,0|2,0,0]=4 9375 B12R1.51 CCNC(=O)CNC1CCCC1 270004a_100016988866_100000210133 [0,1,0,1,0,0|2,0,0]=4 9376 B12R1.51 CCNC(=O)CNC1CCCC1 34a_100000211070_100000183381 [0,1,0,1,0,0|2,0,0]=4 9377 B12R1.51 CCNC(=O)COC1CCCC1 11a_100015525214_100000741352 [0,1,0,1,0,0|2,0,0]=4 9378 B12R1.51 CCNC(=O)COC1CCCC1 240690a_100015525214_100000741352 [0,1,0,1,0,0|2,0,0]=4 9379 B12R1.51 CCNC(=O)COC1CCCC1 34a_100000210269_100000183381 [0,1,0,1,0,0|2,0,0]=4 9380 B12R1.51 CCNC(=O)COC1CCCC1 527a_100015525214_100000741352 [0,1,0,1,0,0|2,0,0]=4 9381 B12R1.51 CCNC(=O)COC1CCCC1 7a_100000210269_100000183381 [0,1,0,1,0,0|2,0,0]=4 9382 B12R1.51 CCNC(=O)CSC1CCCC1 62a_100000183381_100000179811 [0,1,0,1,0,0|2,0,0]=4 9383 B12R1.51 CCNC(=O)CSC1CCCC1 62a_100011217020_100000183381 [0,1,0,1,0,0|2,0,0]=4 9384 B12R1.51 CCNC(=O)NCC1CCCC1 2708a_100000737975_100015525214 [0,1,0,1,0,0|2,0,0]=4 9385 B12R1.51 CCNC(=O)NCC1CCCC1 2708a_100015525214_100000737975 [0,1,0,1,0,0|2,0,0]=4 9386 B12R1.51 CCNC(=O)NCC1CCCC1 273464a_100000737975_100015525214 [0,1,0,1,0,0|2,0,0]=4 9387 B12R1.51 CCNC(=O)NCC1CCCC1 273464a_100015525214_100000737975 [0,1,0,1,0,0|2,0,0]=4 9388 B12R1.51 CCNC(=O)NCC1CCCC1 512a_100000737975_100015525214 [0,1,0,1,0,0|2,0,0]=4 9389 B12R1.51 CCNC(=O)NCC1CCCC1 512a_100015525214_100000737975 [0,1,0,1,0,0|2,0,0]=4 9390 B12R1.51 CNNC(=O)CCC1CCCC1 22a_100016993582_100000211120 [0,1,0,1,0,0|1,0,0]=3 9391 B12R1.51 CNNC(=O)CCC1CCCO1 22a_100016993582_100011247709 [0,1,0,1,0,0|2,0,0]=4 9392 B12R1.51 CNNC(=O)CCN1CCCC1 22a_100016993582_100000738983 [0,1,0,1,0,0|2,0,0]=4 9393 B12R1.51 CNNC(=O)COC1CCCC1 22a_100016993582_100000741352 [0,1,0,1,0,0|2,0,0]=4 9394 B12R1.51 CNNC(=O)NCC1CCCC1 273464a_100000737975_100016993582 [0,1,0,1,0,0|2,0,0]=4 9395 B12R1.51 CNNC(=O)NCC1CCCC1 512a_100000737975_100016993582 [0,1,0,1,0,0|2,0,0]=4 9396 B12R1.51 CNNC(=O)NCC1CCCC1 512a_100016993582_100000737975 [0,1,0,1,0,0|2,0,0]=4 9397 B12R1.51 COCC(=O)CCC1CCCC1 1458a_100000210968_100000760354 [0,1,0,1,0,0|1,0,0]=3 9398 B12R1.51 COCC(=O)CCN1CCCC1 1458a_100000210968_100000004467 [0,1,0,1,0,0|2,0,0]=4 9399 B12R1.51 COCC(=O)NCC1CCCC1 11a_100000737975_100000210968 [0,1,0,1,0,0|2,0,0]=4 9400 B12R1.51 COCC(=O)NCC1CCCC1 1626a_100000737975_100000210968 [0,1,0,1,0,0|2,0,0]=4 9401 B12R1.51 COCC(=O)NCC1CCCC1 240690a_100000737975_100000210968 [0,1,0,1,0,0|2,0,0]=4 9402 B12R1.51 COCC(=O)NCC1CCCC1 527a_100000737975_100000210968 [0,1,0,1,0,0|2,0,0]=4 9403 B12R1.51 CSCC(=O)CCC1CCCC1 1458a_100000184570_100000760354 [0,1,0,1,0,0|1,1,0]=4 9404 B12R1.51 N#CCC(=O)CCC1CCCC1 1458a_100000211120_100011214920 [0,1,0,1,0,0|2,0,0]=4 9405 B12R1.51 N#CCC(=O)CCC1CCCC1 1458a_100051588842_100000760354 [0,1,0,1,0,0|2,0,0]=4 9406 B12R1.51 O=C(C=CBr)CCC1CCCC1 1458a_100016273825_100000760354 [0,1,0,1,0,0|2,0,0]=4 9407 B12R1.51 O=C(C=CCl)CCC1CCCC1 1458a_200016279998_100000760354 [0,1,0,1,0,0|2,0,0]=4 9408 B12R1.51 O=C(C=CI)CCC1CCCC1 1458a_100016256311_100000760354 [0,1,0,1,0,0|2,0,0]=4 9409 B12R1.51 O=C(CCF)CCC1CCCC1 1458a_100000211120_100011217306 [0,1,0,1,0,0|2,0,0]=4 9410 B12R1.51 O=C(CCO)CCC1CCCC1 1458a_100000211120_100000211926 [0,1,0,1,0,0|1,0,0]=3 9411 B12R1.51 O=C(CCO)CCC1CCCC1 1458a_100011216618_100000760354 [0,1,0,1,0,0|1,0,0]=3 9412 B12R1.51 O=C(CCO)CCC1CCCO1 1458a_100011247709_100000211926 [0,1,0,1,0,0|2,0,0]=4 9413 B12R1.51 O=C(CCO)CCN1CCCC1 1458a_100000738983_100000211926 [0,1,0,1,0,0|2,0,0]=4 9414 B12R1.51 O=C(CCO)CCN1CCCC1 1458a_100011216618_100000004467 [0,1,0,1,0,0|2,0,0]=4 9415 B12R1.51 O=C(CCO)COC1CCCC1 1458a_100000741352_100000211926 [0,1,0,1,0,0|2,0,0]=4 9416 B12R1.51 O=C(CCO)NCC1CCCC1 240690a_100000737975_100011216618 [0,1,0,1,0,0|2,0,0]=4 9417 B12R1.51 O=C(CNC1CCCC1)NCO 2230a_100000211070_100000185155 [0,1,0,1,0,0|1,0,0]=3 9418 B12R1.51 O=C(CNC1CCCC1)NCO 34a_100000211070_100000185155 [0,1,0,1,0,0|1,0,0]=3 9419 B12R1.51 O=C(CN[C@@H]1CCOC1)NCO 2230a_200015188469_100000185155 [0,1,0,1,0,0|2,0,0]=4 9420 B12R1.51 O=C(CN[C@H]1CCOC1)NCO 2230a_100015188467_100000185155 [0,1,0,1,0,0|2,0,0]=4 9421 B12R1.51 O=C(CN[C@H]1CCOC1)NCO 34a_100015188467_100000185155 [0,1,0,1,0,0|2,0,0]=4 9422 B12R1.51 O=C(COC1CCCC1)NCO 34a_100000210269_100000185155 [0,1,0,1,0,0|1,0,0]=3 9423 B12R1.51 O=C(COC1CCCC1)NCO 7a_100000210269_100000185155 [0,1,0,1,0,0|1,0,0]=3 9424 B12R1.51 O=C(COC1CCCO1)NCO 34a_100000085407_100000185155 [0,1,0,1,0,0|2,0,0]=4 9425 B12R1.51 O=C(COC1CCSC1)NCO 7a_100011232664_100000185155 [0,1,0,1,0,0|2,0,0]=4 9426 B12R1.51 O=C(CO[C@H]1CCOC1)NCO 34a_100000717292_100000185155 [0,1,0,1,0,0|2,0,0]=4 9427 B12R1.51 O=C(CSC1CCCC1)NCO 62a_100000185155_100000179811 [0,1,0,1,0,0|1,0,0]=3 9428 B12R1.51 O=C(CSC1CCCC1)NCO 62a_100011217020_100000185155 [0,1,0,1,0,0|1,0,0]=3 9429 B12R1.51 O=C(CSC1CCOC1)NCO 62a_100000185155_100000690089 [0,1,0,1,0,0|2,0,0]=4 9430 B12R1.69 CCCNC1CCC(=O)NC1=O 2230a_100000691121_100000210303 [0,1,0,1,0,0|1,0,1]=4 9431 B12R1.69 CCCNC1CCC(=O)NC1=O 34a_100000691121_100000210303 [0,1,0,1,0,0|1,0,1]=4 9432 B12R1.69 CCCSC1CCC(=O)NC1=O 62a_100000210303_100000694648 [0,1,0,1,0,0|1,0,1]=4 9433 B12R1.69 CCCSC1CCC(=O)NC1=O 62a_100000694648_100000210303 [0,1,0,1,0,0|1,0,1]=4 9434 B12R1.308 C#CCC(=O)C1CCCCC1C 1458a_100011215568_100000184674 [0,1,0,1,0,0|2,0,0]=4 9435 B12R1.308 C=CCC(=O)C1CCCCC1C 1458a_100011215568_100000210623 [0,1,0,1,0,0|2,0,0]=4 9436 B12R1.308 CC1CCCCC1C(=O)CC#N 1458a_100011215568_100011214920 [0,1,0,1,0,0|2,0,0]=4 9437 B12R1.308 CC1CCCCC1C(=O)CCF 1458a_100011215568_100011217306 [0,1,0,1,0,0|2,0,0]=4 9438 B12R1.308 CC1CCCCC1C(=O)CCO 1458a_100011215568_100000211926 [0,1,0,1,0,0|1,0,0]=3 9439 B12R1.308 CC1CCCCN1C(=O)CCO 240690a_100000211376_100011216618 [0,1,0,1,0,0|2,0,0]=4 9440 B12R1.308 CCCC(=O)C1CCCCC1C 1458a_100011215568_100000210303 [0,1,0,1,0,0|2,0,0]=4 9441 B12R1.308 CCNC(=O)C1CCCCC1C 11a_100015525214_100011215568 [0,1,0,1,0,0|1,0,0]=3 9442 B12R1.308 CCNC(=O)C1CCCCC1C 240690a_100015525214_100011215568 [0,1,0,1,0,0|1,0,0]=3 9443 B12R1.308 CCNC(=O)C1CCCCC1C 527a_100015525214_100011215568 [0,1,0,1,0,0|1,0,0]=3 9444 B12R1.308 CCNC(=O)N1CCCCC1C 2708a_100015525214_100000211376 [0,1,0,1,0,0|2,0,0]=4 9445 B12R1.308 CCNC(=O)N1CCCCC1C 273464a_100015525214_100000211376 [0,1,0,1,0,0|2,0,0]=4 9446 B12R1.308 CCNC(=O)[C@H]1CCCCN1C 11a_100015525214_100000767060 [0,1,0,1,0,0|2,0,0]=4 9447 B12R1.308 CCNC(=O)[C@H]1CCCCN1C 240690a_100015525214_100000767060 [0,1,0,1,0,0|2,0,0]=4 9448 B12R1.308 CCNC(=O)[C@H]1CCCCN1C 527a_100015525214_100000767060 [0,1,0,1,0,0|2,0,0]=4 9449 B12R1.308 CN1CCCC[C@@H]1C(=O)CCO 1458a_100000767060_100000211926 [0,1,0,1,0,0|2,0,0]=4 9450 B12R1.308 CNCC(=O)N1CCCCC1C 2230a_106832991635_100000182743 [0,1,0,1,0,0|2,0,0]=4 9451 B12R1.308 CNCC(=O)N1CCCCC1C 34a_100102657272_100000182743 [0,1,0,1,0,0|2,0,0]=4 9452 B12R1.308 CNCC(=O)N1CCCCC1C 7a_106832991635_100000182743 [0,1,0,1,0,0|2,0,0]=4 9453 B12R1.308 CNNC(=O)C1CCCCC1C 22a_100016993582_100011215568 [0,1,0,1,0,0|1,0,0]=3 9454 B12R1.308 CNNC(=O)C1CCCCC1O 22a_100016993582_100011803323 [0,1,0,1,0,0|2,0,0]=4 9455 B12R1.308 CNNC(=O)[C@H]1CCCCN1C 22a_100016993582_100000767060 [0,1,0,1,0,0|2,0,0]=4 9456 B12R1.308 COCC(=O)N1CCCCC1C 11a_100000211376_100000210968 [0,1,0,1,0,0|2,0,0]=4 9457 B12R1.308 COCC(=O)N1CCCCC1C 1626a_100000211376_100000210968 [0,1,0,1,0,0|2,0,0]=4 9458 B12R1.308 COCC(=O)N1CCCCC1C 240690a_100000211376_100000210968 [0,1,0,1,0,0|2,0,0]=4 9459 B12R1.308 COCC(=O)N1CCCCC1C 34a_100138415774_100000182743 [0,1,0,1,0,0|2,0,0]=4 9460 B12R1.308 COCC(=O)N1CCCCC1C 527a_100000211376_100000210968 [0,1,0,1,0,0|2,0,0]=4 9461 B12R1.308 O=C(CCO)C1CCCCC1O 1458a_100011803323_100000211926 [0,1,0,1,0,0|2,0,0]=4 9462 B12R1.310 CCNC(=O)CCNCC1CC1 2230a_100000735609_100000737597 [0,1,0,1,0,0|2,0,0]=4 9463 B12R1.310 CCNC(=O)CCNCC1CC1 269862a_100025743525_100000741477 [0,1,0,1,0,0|2,0,0]=4 9464 B12R1.310 CCNC(=O)CCNCC1CC1 34a_100025743525_100000742324 [0,1,0,1,0,0|2,0,0]=4 9465 B12R1.310 CCNC(=O)CCSCC1CC1 62a_100000737597_100000742324 [0,1,0,1,0,0|2,0,0]=4 9466 B12R1.310 CCNC(=O)CCSCC1CC1 62a_100000756562_100000737597 [0,1,0,1,0,0|2,0,0]=4 9467 B12R1.310 CCNC(=O)CNCCC1CC1 2230a_100016988866_100000694398 [0,1,0,1,0,0|2,0,0]=4 9468 B12R1.310 CCNC(=O)CNCCC1CC1 34a_100000764129_100000183381 [0,1,0,1,0,0|2,0,0]=4 9469 B12R1.310 CCNC(=O)COCCC1CC1 34a_100000754188_100000183381 [0,1,0,1,0,0|2,0,0]=4 9470 B12R1.310 CCNC(=O)COCCC1CC1 7a_100000754188_100000183381 [0,1,0,1,0,0|2,0,0]=4 9471 B12R1.310 CCNC(=O)CSCCC1CC1 62a_100000183381_100000764125 [0,1,0,1,0,0|2,0,0]=4 9472 B12R1.310 CCNC(=O)CSCCC1CC1 62a_100000764125_100000183381 [0,1,0,1,0,0|2,0,0]=4 9473 B12R1.310 O=C(CNCCC1CC1)NCO 34a_100000764129_100000185155 [0,1,0,1,0,0|1,0,0]=3 9474 B12R1.310 O=C(COCCC1CC1)NCO 34a_100000754188_100000185155 [0,1,0,1,0,0|1,0,0]=3 9475 B12R1.310 O=C(COCCC1CC1)NCO 7a_100000754188_100000185155 [0,1,0,1,0,0|1,0,0]=3 9476 B12R1.310 O=C(COCC[C@@H]1CO1)NCO 34a_100009820653_100000185155 [0,1,0,1,0,0|2,0,0]=4 9477 B12R1.310 O=C(CSCCC1CC1)NCO 62a_100000185155_100000764125 [0,1,0,1,0,0|1,0,0]=3 9478 B12R1.310 O=C(CSCCC1CC1)NCO 62a_100000764125_100000185155 [0,1,0,1,0,0|1,0,0]=3 9479 B12R1.310 O=C(CSCCC1CO1)NCO 62a_100000185155_100000732470 [0,1,0,1,0,0|2,0,0]=4 9480 B12R1.310 O=C(CSCCC1CO1)NCO 62a_100000732470_100000185155 [0,1,0,1,0,0|2,0,0]=4 9481 B12R1.311 CCNC(=O)CCN1CCC1C 269982a_100000755817_100000737597 [0,1,0,1,0,0|2,0,0]=4 9482 B12R1.315 CCNC(=O)CCNC1CCC1 2230a_100000749019_100000737597 [0,1,0,1,0,0|2,0,0]=4 9483 B12R1.315 CCNC(=O)CCNC1CCC1 270004a_100025743525_100000241760 [0,1,0,1,0,0|2,0,0]=4 9484 B12R1.315 CCNC(=O)CCNC1CCC1 34a_100025743525_100000749161 [0,1,0,1,0,0|2,0,0]=4 9485 B12R1.315 CCNC(=O)CCSC1CCC1 62a_100000737597_100000749161 [0,1,0,1,0,0|2,0,0]=4 9486 B12R1.315 CCNC(=O)CNCC1CCC1 2230a_100000738700_100000183381 [0,1,0,1,0,0|2,0,0]=4 9487 B12R1.315 CCNC(=O)CNCC1CCC1 2230a_100016988866_100000763275 [0,1,0,1,0,0|2,0,0]=4 9488 B12R1.315 CCNC(=O)CNCC1CCC1 34a_100000738700_100000183381 [0,1,0,1,0,0|2,0,0]=4 9489 B12R1.315 CCNC(=O)COCC1CCC1 34a_100000760304_100000183381 [0,1,0,1,0,0|2,0,0]=4 9490 B12R1.315 CCNC(=O)CSCC1CCC1 62a_100000183381_100000763275 [0,1,0,1,0,0|2,0,0]=4 9491 B12R1.315 CCNC(=O)CSCC1CCC1 62a_100000763275_100000183381 [0,1,0,1,0,0|2,0,0]=4 9492 B12R1.315 O=C(CNCC1CCC1)NCO 2230a_100000738700_100000185155 [0,1,0,1,0,0|1,0,0]=3 9493 B12R1.315 O=C(CNCC1CCC1)NCO 34a_100000738700_100000185155 [0,1,0,1,0,0|1,0,0]=3 9494 B12R1.315 O=C(CNCC1COC1)NCO 2230a_100015281925_100000185155 [0,1,0,1,0,0|2,0,0]=4 9495 B12R1.315 O=C(CNCC1COC1)NCO 34a_100015281925_100000185155 [0,1,0,1,0,0|2,0,0]=4 9496 B12R1.315 O=C(CNC[C@@H]1CCO1)NCO 2230a_100020831831_100000185155 [0,1,0,1,0,0|2,0,0]=4 9497 B12R1.315 O=C(CNC[C@@H]1CCO1)NCO 34a_100020831831_100000185155 [0,1,0,1,0,0|2,0,0]=4 9498 B12R1.315 O=C(COCC1CCC1)NCO 34a_100000760304_100000185155 [0,1,0,1,0,0|1,0,0]=3 9499 B12R1.315 O=C(COCC1CCO1)NCO 34a_100000039022_100000185155 [0,1,0,1,0,0|2,0,0]=4 9500 B12R1.315 O=C(COCC1CNC1)NCO 34a_100016987283_100000185155 [0,1,0,1,0,0|2,0,0]=4 9501 B12R1.315 O=C(COCC1COC1)NCO 34a_100000060846_100000185155 [0,1,0,1,0,0|2,0,0]=4 9502 B12R1.315 O=C(CSCC1CCC1)NCO 62a_100000185155_100000763275 [0,1,0,1,0,0|1,0,0]=3 9503 B12R1.315 O=C(CSCC1CCC1)NCO 62a_100000763275_100000185155 [0,1,0,1,0,0|1,0,0]=3 9504 B12R1.315 O=C(CSCC1CCO1)NCO 62a_100000103362_100000185155 [0,1,0,1,0,0|2,0,0]=4 9505 B12R1.315 O=C(CSCC1CCO1)NCO 62a_100000185155_100000103362 [0,1,0,1,0,0|2,0,0]=4 9506 B12R1.315 O=C(CSCC1COC1)NCO 62a_100000185155_100010264016 [0,1,0,1,0,0|2,0,0]=4 9507 B12R1.315 O=C(CSCC1COC1)NCO 62a_100010264016_100000185155 [0,1,0,1,0,0|2,0,0]=4 9508 B12R1.316 CCC1CCCN1C(=O)CCO 240690a_100000754278_100011216618 [0,1,0,1,0,0|2,0,0]=4 9509 B12R1.316 CCC1CCCN1C(=O)COC 11a_100000754278_100000210968 [0,1,0,1,0,0|2,0,0]=4 9510 B12R1.316 CCC1CCCN1C(=O)COC 1626a_100000754278_100000210968 [0,1,0,1,0,0|2,0,0]=4 9511 B12R1.316 CCC1CCCN1C(=O)COC 240690a_100000754278_100000210968 [0,1,0,1,0,0|2,0,0]=4 9512 B12R1.316 CCC1CCCN1C(=O)COC 527a_100000754278_100000210968 [0,1,0,1,0,0|2,0,0]=4 9513 B12R1.316 CCN1CCCC1C(=O)CCO 1458a_106256033941_100000211926 [0,1,0,1,0,0|2,0,0]=4 9514 B12R1.316 CCN1CCCC1C(=O)NNC 22a_100016993582_106256033941 [0,1,0,1,0,0|2,0,0]=4 9515 B12R1.316 CCNC(=O)C1CCCN1CC 240690a_100015525214_106256033941 [0,1,0,1,0,0|2,0,0]=4 9516 B12R1.316 CCNC(=O)C1CCCN1CC 527a_100015525214_106256033941 [0,1,0,1,0,0|2,0,0]=4 9517 B12R1.316 CCNC(=O)N1CCCC1CC 2708a_100015525214_100000754278 [0,1,0,1,0,0|2,0,0]=4 9518 B12R1.316 CCNC(=O)N1CCCC1CC 273464a_100015525214_100000754278 [0,1,0,1,0,0|2,0,0]=4 9519 B12R1.316 CCNC(=O)[C@@H]1CCCN1CC 2230a_100020641767_100000210202 [0,1,0,1,0,0|2,0,0]=4 9520 B12R1.316 CCNC(=O)[C@@H]1CCCN1CC 269982a_100020641767_100000204670 [0,1,0,1,0,0|2,0,0]=4 9521 B12R1.316 CCNC(=O)[C@@H]1CCCN1CC 34a_100020641767_100000210202 [0,1,0,1,0,0|2,0,0]=4 9522 B12R1.318 CC1SCCN1CC(=O)NCO 2230a_200011216479_100000185155 [0,1,0,1,0,0|2,0,0]=4 9523 B12R1.318 CC1SCCN1CC(=O)NCO 269982a_200011216479_100000185155 [0,1,0,1,0,0|2,0,0]=4 9524 B12R1.318 CC1SCCN1CC(=O)NCO 34a_200011216479_100000185155 [0,1,0,1,0,0|2,0,0]=4 9525 B12R1.318 CCNC(=O)CN1CCC[C@@H]1C 2230a_100020605311_100000183381 [0,1,0,1,0,0|2,0,0]=4 9526 B12R1.318 CCNC(=O)CN1CCC[C@@H]1C 269982a_100020605311_100000183381 [0,1,0,1,0,0|2,0,0]=4 9527 B12R1.318 CCNC(=O)CN1CCC[C@H]1C 2230a_100015189458_100000183381 [0,1,0,1,0,0|2,0,0]=4 9528 B12R1.318 CCNC(=O)CN1CCC[C@H]1C 269982a_100015189458_100000183381 [0,1,0,1,0,0|2,0,0]=4 9529 B12R1.318 CCNC(=O)CN1CCC[C@H]1C 34a_100015189458_100000183381 [0,1,0,1,0,0|2,0,0]=4 9530 B12R1.318 C[C@@H]1CCCN1CC(=O)NCO 2230a_100015189458_100000185155 [0,1,0,1,0,0|1,0,0]=3 9531 B12R1.318 C[C@@H]1CCCN1CC(=O)NCO 269982a_100015189458_100000185155 [0,1,0,1,0,0|1,0,0]=3 9532 B12R1.318 C[C@@H]1CCCN1CC(=O)NCO 34a_100015189458_100000185155 [0,1,0,1,0,0|1,0,0]=3 9533 B12R1.318 C[C@H]1CCCN1CC(=O)NCO 2230a_100020605311_100000185155 [0,1,0,1,0,0|1,0,0]=3 9534 B12R1.318 C[C@H]1CCCN1CC(=O)NCO 269982a_100020605311_100000185155 [0,1,0,1,0,0|1,0,0]=3 9535 B12R1.348 CCCCN1CCNC(=O)CC1 2230a_100000698595_100000210211 [0,1,0,1,0,0|2,0,0]=4 9536 B12R1.348 CCCCN1CCNC(=O)CC1 269982a_100000698595_100000210211 [0,1,0,1,0,0|2,0,0]=4 9537 B12R1.372 CCCCCNC1CCNC1=O 2230a_100016995588_100000210326 [0,1,0,1,0,0|2,0,0]=4 9538 B12R1.372 CCCCCNC1CCNC1=O 34a_100016995588_100000718602 [0,1,0,1,0,0|2,0,0]=4 9539 B12R1.372 CCCCCN[C@@H]1CONC1=O 2230a_100000765999_100000210326 [0,1,0,1,0,0|1,0,0]=3 9540 B12R1.372 CCCCCN[C@@H]1CONC1=O 34a_100000765999_100000718602 [0,1,0,1,0,0|1,0,0]=3 9541 B12R1.372 CCCCCO[C@H]1CCNC1=O 34a_100000688343_100000718602 [0,1,0,1,0,0|2,0,0]=4 9542 B12R1.372 CCCCOCC1CCNC1=O 34a_100000133458_100000210210 [0,1,0,1,0,0|2,0,0]=4 9543 B12R1.372 CCOCCN[C@@H]1CONC1=O 2230a_100000765999_100011215890 [0,1,0,1,0,0|2,0,0]=4 9544 B12R1.372 CCOCCN[C@@H]1CONC1=O 34a_100000765999_100000210147 [0,1,0,1,0,0|2,0,0]=4 9545 B12R1.372 CCSCCN[C@@H]1CONC1=O 2230a_100000765999_100000757381 [0,1,0,1,0,0|2,0,0]=4 9546 B12R1.372 CCSCCN[C@@H]1CONC1=O 34a_100000765999_100000757381 [0,1,0,1,0,0|2,0,0]=4 9547 B12R1.372 COCCCN[C@@H]1CONC1=O 2230a_100000765999_100000740836 [0,1,0,1,0,0|2,0,0]=4 9548 B12R1.372 COCCCN[C@@H]1CONC1=O 34a_100000765999_100000740836 [0,1,0,1,0,0|2,0,0]=4 9549 B12R1.372 O=C1NOC[C@H]1NCCCCF 2230a_100000765999_100000729493 [0,1,0,1,0,0|2,0,0]=4 9550 B12R1.372 O=C1NOC[C@H]1NCCCCF 34a_100000765999_100000729493 [0,1,0,1,0,0|2,0,0]=4 9551 B12R1.372 O=C1NOC[C@H]1NCCCCO 2230a_100000765999_100000210776 [0,1,0,1,0,0|2,0,0]=4 9552 B12R1.372 O=C1NOC[C@H]1NCCCCO 34a_100000765999_100011216708 [0,1,0,1,0,0|2,0,0]=4 9553 B12R1.456 CCCCNC1CC(=O)NC1=O 2230a_100102712934_100000210211 [0,1,0,1,0,0|1,0,1]=4 9554 B12R1.923 CCCCCCCC(=O)C1CC1 1458a_100000210395_100000210614 [0,1,0,1,0,0|2,0,0]=4 9555 B12R1.923 CCCCCCCC(=O)C1CO1 1458a_100000701028_100000210614 [0,1,0,1,0,0|1,0,0]=3 9556 B12R1.923 CCCCCCNC(=O)C1CO1 11a_100000210581_100000701028 [0,1,0,1,0,0|2,0,0]=4 9557 B12R1.923 CCCCCCNC(=O)C1CO1 1626a_100000210581_100000701028 [0,1,0,1,0,0|2,0,0]=4 9558 B12R1.923 CCCCCCNC(=O)C1CO1 240690a_100000210581_100000701028 [0,1,0,1,0,0|2,0,0]=4 9559 B12R1.923 CCCCCCNC(=O)C1CO1 527a_100000210581_100000701028 [0,1,0,1,0,0|2,0,0]=4 9560 B12R1.923 CCCCOCCC(=O)C1CO1 1458a_100000701028_100000743108 [0,1,0,1,0,0|2,0,0]=4 9561 B12R1.923 O=C(CCCCCCF)C1CO1 1458a_100000701028_100015922095 [0,1,0,1,0,0|2,0,0]=4 9562 B12R1.923 O=C(CCCCCCO)C1CO1 1458a_100000701028_100000766143 [0,1,0,1,0,0|2,0,0]=4 9563 B12R1.1505 CC1CC1COCC(=O)NCO 34a_100000744939_100000185155 [0,1,0,1,0,0|1,0,0]=3 9564 B12R1.1505 CC1CC1COCC(=O)NCO 7a_100000744939_100000185155 [0,1,0,1,0,0|1,0,0]=3 9565 B12R1.1505 CCNC(=O)COCC1CC1C 34a_100000744939_100000183381 [0,1,0,1,0,0|2,0,0]=4 9566 B12R1.1505 CCNC(=O)COCC1CC1C 7a_100000744939_100000183381 [0,1,0,1,0,0|2,0,0]=4 9567 B12R1.1564 C#CCC(=O)C1CCCCCC1 1458a_100000749507_100000184674 [0,1,0,1,0,0|2,0,0]=4 9568 B12R1.1564 C#CCC(=O)C1CCCCCC1 1458a_100011220946_100011217769 [0,1,0,1,0,0|2,0,0]=4 9569 B12R1.1564 C=CCC(=O)C1CCCCCC1 1458a_100000210193_100011217769 [0,1,0,1,0,0|2,0,0]=4 9570 B12R1.1564 C=CCC(=O)C1CCCCCC1 1458a_100000749507_100000210623 [0,1,0,1,0,0|2,0,0]=4 9571 B12R1.1564 CC#CC(=O)C1CCCCCC1 1458a_100000763181_100011217769 [0,1,0,1,0,0|2,0,0]=4 9572 B12R1.1564 CC=CC(=O)C1CCCCCC1 1458a_100000210699_100011217769 [0,1,0,1,0,0|2,0,0]=4 9573 B12R1.1564 CCCC(=O)C1CCCCCC1 1458a_100000211992_100011217769 [0,1,0,1,0,0|2,0,0]=4 9574 B12R1.1564 CCCC(=O)C1CCCCCC1 1458a_100000749507_100000210303 [0,1,0,1,0,0|2,0,0]=4 9575 B12R1.1564 CCNC(=O)C1CCCCCC1 11a_100015525214_100000749507 [0,1,0,1,0,0|1,0,0]=3 9576 B12R1.1564 CCNC(=O)C1CCCCCC1 240690a_100015525214_100000749507 [0,1,0,1,0,0|1,0,0]=3 9577 B12R1.1564 CCNC(=O)C1CCCCCC1 527a_100015525214_100000749507 [0,1,0,1,0,0|1,0,0]=3 9578 B12R1.1564 CCNC(=O)N1CCCCCC1 2708a_100015525214_100000185865 [0,1,0,1,0,0|2,0,0]=4 9579 B12R1.1564 CCNC(=O)N1CCCCCC1 273464a_100015525214_100000185865 [0,1,0,1,0,0|2,0,0]=4 9580 B12R1.1564 CNCC(=O)N1CCCCCC1 2230a_106832991635_100000182869 [0,1,0,1,0,0|2,0,0]=4 9581 B12R1.1564 CNCC(=O)N1CCCCCC1 34a_100102657272_100000182869 [0,1,0,1,0,0|2,0,0]=4 9582 B12R1.1564 CNCC(=O)N1CCCCCC1 7a_106832991635_100000182869 [0,1,0,1,0,0|2,0,0]=4 9583 B12R1.1564 CNNC(=O)C1CCCCCC1 22a_100016993582_100000749507 [0,1,0,1,0,0|1,0,0]=3 9584 B12R1.1564 COCC(=O)C1CCCCCC1 1458a_100000210968_100011217769 [0,1,0,1,0,0|1,0,0]=3 9585 B12R1.1564 COCC(=O)N1CCCCCC1 11a_100000185865_100000210968 [0,1,0,1,0,0|2,0,0]=4 9586 B12R1.1564 COCC(=O)N1CCCCCC1 1626a_100000185865_100000210968 [0,1,0,1,0,0|2,0,0]=4 9587 B12R1.1564 COCC(=O)N1CCCCCC1 240690a_100000185865_100000210968 [0,1,0,1,0,0|2,0,0]=4 9588 B12R1.1564 COCC(=O)N1CCCCCC1 34a_100138415774_100000182869 [0,1,0,1,0,0|2,0,0]=4 9589 B12R1.1564 COCC(=O)N1CCCCCC1 527a_100000185865_100000210968 [0,1,0,1,0,0|2,0,0]=4 9590 B12R1.1564 CSCC(=O)C1CCCCCC1 1458a_100000184570_100011217769 [0,1,0,1,0,0|1,1,0]=4 9591 B12R1.1564 N#CCC(=O)C1CCCCCC1 1458a_100000749507_100011214920 [0,1,0,1,0,0|2,0,0]=4 9592 B12R1.1564 N#CCC(=O)C1CCCCCC1 1458a_100051588842_100011217769 [0,1,0,1,0,0|2,0,0]=4 9593 B12R1.1564 O=C(C=CBr)C1CCCCCC1 1458a_100016273825_100011217769 [0,1,0,1,0,0|2,0,0]=4 9594 B12R1.1564 O=C(C=CCl)C1CCCCCC1 1458a_200016279998_100011217769 [0,1,0,1,0,0|2,0,0]=4 9595 B12R1.1564 O=C(C=CI)C1CCCCCC1 1458a_100016256311_100011217769 [0,1,0,1,0,0|2,0,0]=4 9596 B12R1.1564 O=C(CCF)C1CCCCCC1 1458a_100000749507_100011217306 [0,1,0,1,0,0|2,0,0]=4 9597 B12R1.1564 O=C(CCO)C1CCCCCC1 1458a_100000749507_100000211926 [0,1,0,1,0,0|1,0,0]=3 9598 B12R1.1564 O=C(CCO)C1CCCCCC1 1458a_100011216618_100011217769 [0,1,0,1,0,0|1,0,0]=3 9599 B12R1.1564 O=C(CCO)N1CCCCCC1 240690a_100000185865_100011216618 [0,1,0,1,0,0|2,0,0]=4 9600 B12R1.1 CCCCNC1CCC(=O)NC1 2230a_100000748762_100000210211 [0,1,0,1,0,0|1,0,0]=3 9601 B12R1.1 CCCCNC1CCC(=O)NC1 34a_100000748762_100000210210 [0,1,0,1,0,0|1,0,0]=3 9602 B12R1.1 CCCCOC1CCC(=O)CC1 34a_100000764474_100000210210 [0,1,0,1,0,0|2,0,0]=4 9603 B12R1.1 CCCCOC1CCC(=O)CC1 7a_100000764474_100000210211 [0,1,0,1,0,0|2,0,0]=4 9604 B12R1.1 CCCCOC1CCC(=O)NC1 34a_100000079199_100000210210 [0,1,0,1,0,0|1,0,0]=3 9605 B12R1.1 CCCCOC1CNC(=O)NC1 34a_100000080929_100000210210 [0,1,0,1,0,0|2,0,0]=4 9606 B12R1.1 CCCOCC1CCC(=O)CC1 34a_100000062911_100000210303 [0,1,0,1,0,0|2,0,0]=4 9607 B12R1.1 COCCNC1CCC(=O)NC1 2230a_100000748762_100011201679 [0,1,0,1,0,0|2,0,0]=4 9608 B12R1.1 COCCNC1CCC(=O)NC1 34a_100000748762_100011201679 [0,1,0,1,0,0|2,0,0]=4 9609 B12R1.1 COCCOC1CCC(=O)NC1 34a_100000079199_100011201679 [0,1,0,1,0,0|2,0,0]=4 9610 B12R1.1 CSCCNC1CCC(=O)NC1 2230a_100000748762_100000751147 [0,1,0,1,0,0|2,0,0]=4 9611 B12R1.1 CSCCNC1CCC(=O)NC1 34a_100000748762_100000212216 [0,1,0,1,0,0|2,0,0]=4 9612 B12R1.1 CSCCOC1CCC(=O)NC1 34a_100000079199_100000212216 [0,1,0,1,0,0|2,0,0]=4 9613 B12R1.1 O=C1CCC(CN1)NCCCF 2230a_100000748762_100011934791 [0,1,0,1,0,0|2,0,0]=4 9614 B12R1.1 O=C1CCC(CN1)NCCCF 34a_100000748762_100011934791 [0,1,0,1,0,0|2,0,0]=4 9615 B12R1.1 O=C1CCC(CN1)NCCCO 2230a_100000748762_100000230001 [0,1,0,1,0,0|2,0,0]=4 9616 B12R1.1 O=C1CCC(CN1)NCCCO 34a_100000748762_100000230001 [0,1,0,1,0,0|2,0,0]=4 9617 B12R1.1 O=C1CCC(CN1)OCCCF 34a_100000079199_100011934791 [0,1,0,1,0,0|2,0,0]=4 9618 B12R1.1 O=C1CCC(CN1)OCCCO 34a_100000079199_100000230001 [0,1,0,1,0,0|2,0,0]=4 9619 B12R1.7 CCCCCCN1CNC(=O)C1 2230a_200000708111_100000210314 [0,1,0,1,0,0|1,0,0]=3 9620 B12R1.7 CCCCCNC1CNC(=O)C1 2230a_100000697751_100000210326 [0,1,0,1,0,0|1,0,0]=3 9621 B12R1.7 CCCCCOC1CCC(=O)C1 34a_100012614533_100000718602 [0,1,0,1,0,0|2,0,0]=4 9622 B12R1.7 CCCCCOC1CNC(=O)C1 34a_100000690082_100000718602 [0,1,0,1,0,0|1,0,0]=3 9623 B12R1.7 CCCCNCC1CNC(=O)C1 2230a_100016993742_100000210211 [0,1,0,1,0,0|1,0,0]=3 9624 B12R1.7 CCCCNCC1CNC(=O)C1 34a_100016993742_100000210210 [0,1,0,1,0,0|1,0,0]=3 9625 B12R1.7 CCCCNCC1CNC(=O)O1 2230a_100000102301_100000181169 [0,1,0,1,0,0|2,0,0]=4 9626 B12R1.7 CCCCNCC1CNC(=O)O1 7a_106832991798_100000181169 [0,1,0,1,0,0|2,0,0]=4 9627 B12R1.7 CCCCOCC1CNC(=O)C1 34a_100016041077_100000210210 [0,1,0,1,0,0|1,0,0]=3 9628 B12R1.7 CCCCOCC1CNC(=O)O1 34a_100000210227_100000181169 [0,1,0,1,0,0|2,0,0]=4 9629 B12R1.7 CCCCOCC1CNC(=O)O1 34a_100011315639_100000210210 [0,1,0,1,0,0|2,0,0]=4 9630 B12R1.7 CCCCOCC1CNC(=O)O1 7a_100000210227_100000181169 [0,1,0,1,0,0|2,0,0]=4 9631 B12R1.7 CCCCOCN1CNC(=O)C1 2230a_200000708111_100011995733 [0,1,0,1,0,0|2,0,0]=4 9632 B12R1.7 CCCCSCC1CNC(=O)O1 62a_100000181169_100000210210 [0,1,0,1,0,0|2,0,0]=4 9633 B12R1.7 CCCCSCC1CNC(=O)O1 62a_100000210211_100000181169 [0,1,0,1,0,0|2,0,0]=4 9634 B12R1.7 CCCOCCN1CNC(=O)C1 2230a_200000708111_100011215938 [0,1,0,1,0,0|2,0,0]=4 9635 B12R1.7 CCOCCCN1CNC(=O)C1 2230a_200000708111_100012232248 [0,1,0,1,0,0|2,0,0]=4 9636 B12R1.7 CCOCCNC1CNC(=O)C1 2230a_100000697751_100011215890 [0,1,0,1,0,0|2,0,0]=4 9637 B12R1.7 CCOCCOC1CNC(=O)C1 34a_100000690082_100000210147 [0,1,0,1,0,0|2,0,0]=4 9638 B12R1.7 CCSCCNC1CNC(=O)C1 2230a_100000697751_100000757381 [0,1,0,1,0,0|2,0,0]=4 9639 B12R1.7 CCSCCOC1CNC(=O)C1 34a_100000690082_100000757381 [0,1,0,1,0,0|2,0,0]=4 9640 B12R1.7 COCCCCN1CNC(=O)C1 2230a_200000708111_100000730899 [0,1,0,1,0,0|2,0,0]=4 9641 B12R1.7 COCCCNC1CNC(=O)C1 2230a_100000697751_100000740836 [0,1,0,1,0,0|2,0,0]=4 9642 B12R1.7 COCCCOC1CNC(=O)C1 34a_100000690082_100000740836 [0,1,0,1,0,0|2,0,0]=4 9643 B12R1.7 COCCNCC1CNC(=O)C1 2230a_100016993742_100011201679 [0,1,0,1,0,0|2,0,0]=4 9644 B12R1.7 COCCNCC1CNC(=O)C1 34a_100016993742_100011201679 [0,1,0,1,0,0|2,0,0]=4 9645 B12R1.7 COCCOCC1CNC(=O)C1 34a_100016041077_100011201679 [0,1,0,1,0,0|2,0,0]=4 9646 B12R1.7 CSCCNCC1CNC(=O)C1 2230a_100016993742_100000751147 [0,1,0,1,0,0|2,0,0]=4 9647 B12R1.7 CSCCNCC1CNC(=O)C1 34a_100016993742_100000212216 [0,1,0,1,0,0|2,0,0]=4 9648 B12R1.7 CSCCOCC1CNC(=O)C1 34a_100016041077_100000212216 [0,1,0,1,0,0|2,0,0]=4 9649 B12R1.7 O=C1CC(CN1)CNCCCF 2230a_100016993742_100011934791 [0,1,0,1,0,0|2,0,0]=4 9650 B12R1.7 O=C1CC(CN1)CNCCCF 34a_100016993742_100011934791 [0,1,0,1,0,0|2,0,0]=4 9651 B12R1.7 O=C1CC(CN1)CNCCCO 2230a_100016993742_100000230001 [0,1,0,1,0,0|2,0,0]=4 9652 B12R1.7 O=C1CC(CN1)CNCCCO 34a_100016993742_100000230001 [0,1,0,1,0,0|2,0,0]=4 9653 B12R1.7 O=C1CC(CN1)COCCCF 34a_100016041077_100011934791 [0,1,0,1,0,0|2,0,0]=4 9654 B12R1.7 O=C1CC(CN1)COCCCO 34a_100016041077_100000230001 [0,1,0,1,0,0|2,0,0]=4 9655 B12R1.7 O=C1CC(CN1)NCCCCF 2230a_100000697751_100000729493 [0,1,0,1,0,0|2,0,0]=4 9656 B12R1.7 O=C1CC(CN1)NCCCCO 2230a_100000697751_100000210776 [0,1,0,1,0,0|2,0,0]=4 9657 B12R1.7 O=C1CC(CN1)OCCCCF 34a_100000690082_100000729493 [0,1,0,1,0,0|2,0,0]=4 9658 B12R1.7 O=C1CC(CN1)OCCCCO 34a_100000690082_100011216708 [0,1,0,1,0,0|2,0,0]=4 9659 B12R1.7 O=C1CN(CN1)CCCCCF 2230a_200000708111_100000729378 [0,1,0,1,0,0|2,0,0]=4 9660 B12R1.7 O=C1CN(CN1)CCCCCO 2230a_200000708111_100000746330 [0,1,0,1,0,0|2,0,0]=4 9661 B12R1.25 CCNCC1CCCC(=O)N1C 2230a_200010383782_100000210202 [0,1,0,1,0,0|1,0,0]=3 9662 B12R1.25 CCNCC1CCCC(=O)N1C 34a_200010383782_100000210202 [0,1,0,1,0,0|1,0,0]=3 9663 B12R1.25 CN1C(=O)CCCC1CNCF 34a_200010383782_100015361967 [0,1,0,1,0,0|2,0,0]=4 9664 B12R1.27 C#CC(=O)CCC1CCCCC1 1458a_100000211873_100011273959 [0,1,0,1,0,0|2,0,0]=4 9665 B12R1.27 C#CC(=O)CCC1CCOCC1 1458a_100000211873_100011934994 [0,1,0,1,0,0|2,0,0]=4 9666 B12R1.27 C#CC(=O)CCN1CCCCC1 1458a_100000211873_100000739454 [0,1,0,1,0,0|2,0,0]=4 9667 B12R1.27 C#CC(=O)COC1CCCCC1 1458a_100000211873_100011935260 [0,1,0,1,0,0|2,0,0]=4 9668 B12R1.27 C=CC(=O)CCC1CCCCC1 1458a_100000185746_100011273959 [0,1,0,1,0,0|2,0,0]=4 9669 B12R1.27 C=CC(=O)CCC1CCOCC1 1458a_100000185746_100011934994 [0,1,0,1,0,0|2,0,0]=4 9670 B12R1.27 C=CC(=O)CCN1CCCCC1 1458a_100000185746_100000739454 [0,1,0,1,0,0|2,0,0]=4 9671 B12R1.27 C=CC(=O)COC1CCCCC1 1458a_100000185746_100011935260 [0,1,0,1,0,0|2,0,0]=4 9672 B12R1.27 C=CC(=O)NCC1CCCCC1 1626a_100000210473_100000185746 [0,1,0,1,0,0|2,0,0]=4 9673 B12R1.27 C=CC(=O)NCC1CCCCC1 240690a_100000210473_200121576911 [0,1,0,1,0,0|2,0,0]=4 9674 B12R1.27 CCC(=O)CCC1CCCCC1 1458a_100000210414_100011273959 [0,1,0,1,0,0|2,0,0]=4 9675 B12R1.27 CCC(=O)CCC1CCCCC1 1458a_100000211375_100000210202 [0,1,0,1,0,0|2,0,0]=4 9676 B12R1.27 CCC(=O)CCC1CCOCC1 1458a_100000210414_100011934994 [0,1,0,1,0,0|2,0,0]=4 9677 B12R1.27 CCC(=O)CCN1CCCCC1 1458a_100000210414_100000739454 [0,1,0,1,0,0|2,0,0]=4 9678 B12R1.27 CCC(=O)CCN1CCCCC1 1458a_100000743487_100000210202 [0,1,0,1,0,0|2,0,0]=4 9679 B12R1.27 CCC(=O)COC1CCCCC1 1458a_100000210414_100011935260 [0,1,0,1,0,0|2,0,0]=4 9680 B12R1.27 CCC(=O)COC1CCCCC1 1458a_100011223303_100000210202 [0,1,0,1,0,0|2,0,0]=4 9681 B12R1.27 CCC(=O)COC1CCCCC1 34a_100000725409_100000210327 [0,1,0,1,0,0|2,0,0]=4 9682 B12R1.27 CCC(=O)COC1CCCCC1 7a_100000210231_100000747405 [0,1,0,1,0,0|2,0,0]=4 9683 B12R1.27 CCC(=O)CSC1CCCCC1 62a_100000210327_100000747405 [0,1,0,1,0,0|2,0,0]=4 9684 B12R1.27 CCC(=O)CSC1CCCCC1 62a_100000747405_100000210327 [0,1,0,1,0,0|2,0,0]=4 9685 B12R1.27 CCC(=O)NCC1CCCCC1 11a_100000210473_100000210414 [0,1,0,1,0,0|2,0,0]=4 9686 B12R1.27 CCC(=O)NCC1CCCCC1 1626a_100000210473_100000210414 [0,1,0,1,0,0|2,0,0]=4 9687 B12R1.27 CCC(=O)NCC1CCCCC1 240690a_100000210473_100000210414 [0,1,0,1,0,0|2,0,0]=4 9688 B12R1.27 CCC(=O)NCC1CCCCC1 527a_100000210473_100000210414 [0,1,0,1,0,0|2,0,0]=4 9689 B12R1.27 CNC(=O)C=CC1CCCCC1 11a_106832991635_100102566626 [0,1,0,1,0,0|1,0,1]=4 9690 B12R1.27 CNC(=O)C=CC1CCCCC1 1626a_100102657272_100102566626 [0,1,0,1,0,0|1,0,1]=4 9691 B12R1.27 CNC(=O)C=CC1CCCCC1 240690a_100102657272_100102566626 [0,1,0,1,0,0|1,0,1]=4 9692 B12R1.27 CNC(=O)CCC1CCCCC1 11a_106832991635_100000211375 [0,1,0,1,0,0|1,0,0]=3 9693 B12R1.27 CNC(=O)CCC1CCCCC1 1626a_100102657272_100000211375 [0,1,0,1,0,0|1,0,0]=3 9694 B12R1.27 CNC(=O)CCC1CCCCC1 240690a_100102657272_100000211375 [0,1,0,1,0,0|1,0,0]=3 9695 B12R1.27 CNC(=O)CCC1CCCCC1 527a_100102657272_100000211375 [0,1,0,1,0,0|1,0,0]=3 9696 B12R1.27 CNC(=O)CCN1CCCCC1 240690a_100102657272_100000743487 [0,1,0,1,0,0|1,0,0]=3 9697 B12R1.27 CNC(=O)CCN1CCCCO1 240690a_100102657272_200015184090 [0,1,0,1,0,0|2,0,0]=4 9698 B12R1.27 CNC(=O)CCN1CCCOC1 2230a_100000131196_100000737683 [0,1,0,1,0,0|2,0,0]=4 9699 B12R1.27 CNC(=O)CCN1CCCOC1 269982a_100000131196_100000737683 [0,1,0,1,0,0|2,0,0]=4 9700 B12R1.27 CNC(=O)CCN1CCCOC1 34a_100000131196_100012179268 [0,1,0,1,0,0|2,0,0]=4 9701 B12R1.27 CNC(=O)CCN1CCOCC1 2230a_100015191051_100000737683 [0,1,0,1,0,0|2,0,0]=4 9702 B12R1.27 CNC(=O)CCN1CCOCC1 240690a_100102657272_100000749337 [0,1,0,1,0,0|2,0,0]=4 9703 B12R1.27 CNC(=O)CCN1CCOCC1 269982a_100015191051_100000737683 [0,1,0,1,0,0|2,0,0]=4 9704 B12R1.27 CNC(=O)CCN1CCOCC1 34a_100015191051_100012179268 [0,1,0,1,0,0|2,0,0]=4 9705 B12R1.27 CNC(=O)CCN1CCOCC1 527a_100102657272_100000749337 [0,1,0,1,0,0|2,0,0]=4 9706 B12R1.27 CNC(=O)CCN1CCSCC1 2230a_100000737611_100000737683 [0,1,0,1,0,0|2,0,0]=4 9707 B12R1.27 CNC(=O)CCN1CCSCC1 269982a_100000737611_100000737683 [0,1,0,1,0,0|2,0,0]=4 9708 B12R1.27 CNC(=O)CNC1CCCCC1 2230a_100000182618_100000183359 [0,1,0,1,0,0|1,0,0]=3 9709 B12R1.27 CNC(=O)CNC1CCCCC1 270004a_100000693194_100000210434 [0,1,0,1,0,0|1,0,0]=3 9710 B12R1.27 CNC(=O)CNC1CCCCC1 34a_100000182618_100000183359 [0,1,0,1,0,0|1,0,0]=3 9711 B12R1.27 CNC(=O)CNC1CCCOC1 2230a_100000719290_100000183359 [0,1,0,1,0,0|2,0,0]=4 9712 B12R1.27 CNC(=O)CNC1CCCOC1 270004a_100000693194_100000753404 [0,1,0,1,0,0|2,0,0]=4 9713 B12R1.27 CNC(=O)CNC1CCCOC1 34a_100000719290_100000183359 [0,1,0,1,0,0|2,0,0]=4 9714 B12R1.27 CNC(=O)CNC1CCCSC1 270004a_100000693194_100000057913 [0,1,0,1,0,0|2,0,0]=4 9715 B12R1.27 CNC(=O)CNC1CCNCC1 270004a_100000693194_100015192401 [0,1,0,1,0,0|2,0,0]=4 9716 B12R1.27 CNC(=O)CNC1CCOCC1 2230a_100000741149_100000183359 [0,1,0,1,0,0|2,0,0]=4 9717 B12R1.27 CNC(=O)CNC1CCOCC1 270004a_100000693194_100011217826 [0,1,0,1,0,0|2,0,0]=4 9718 B12R1.27 CNC(=O)CNC1CCOCC1 34a_100000741149_100000183359 [0,1,0,1,0,0|2,0,0]=4 9719 B12R1.27 CNC(=O)CNC1CCSCC1 2230a_100000748639_100000183359 [0,1,0,1,0,0|2,0,0]=4 9720 B12R1.27 CNC(=O)CNC1CCSCC1 270004a_100000693194_100000203788 [0,1,0,1,0,0|2,0,0]=4 9721 B12R1.27 CNC(=O)CNC1CCSCC1 34a_100000748639_100000183359 [0,1,0,1,0,0|2,0,0]=4 9722 B12R1.27 CNC(=O)COC1CCCCC1 11a_106832991635_100011223303 [0,1,0,1,0,0|1,0,0]=3 9723 B12R1.27 CNC(=O)COC1CCCCC1 1626a_100102657272_100011223303 [0,1,0,1,0,0|1,0,0]=3 9724 B12R1.27 CNC(=O)COC1CCCCC1 240690a_100102657272_100011223303 [0,1,0,1,0,0|1,0,0]=3 9725 B12R1.27 CNC(=O)COC1CCCCC1 34a_100000210231_100000183359 [0,1,0,1,0,0|1,0,0]=3 9726 B12R1.27 CNC(=O)COC1CCCCC1 34a_100000750040_100000210327 [0,1,0,1,0,0|1,0,0]=3 9727 B12R1.27 CNC(=O)COC1CCCCC1 527a_100102657272_100011223303 [0,1,0,1,0,0|1,0,0]=3 9728 B12R1.27 CNC(=O)COC1CCCCC1 7a_100000210231_100000183359 [0,1,0,1,0,0|1,0,0]=3 9729 B12R1.27 CNC(=O)COC1CCCCO1 34a_100000033831_100000183359 [0,1,0,1,0,0|2,0,0]=4 9730 B12R1.27 CNC(=O)COC1CCCOC1 34a_100000750040_100000693364 [0,1,0,1,0,0|2,0,0]=4 9731 B12R1.27 CNC(=O)COC1CCCOC1 34a_100000754041_100000183359 [0,1,0,1,0,0|2,0,0]=4 9732 B12R1.27 CNC(=O)COC1CCCSC1 7a_100015962668_100000183359 [0,1,0,1,0,0|2,0,0]=4 9733 B12R1.27 CNC(=O)COC1CCOCC1 34a_100000744328_100000183359 [0,1,0,1,0,0|2,0,0]=4 9734 B12R1.27 CNC(=O)COC1CCSCC1 34a_100000731022_100000183359 [0,1,0,1,0,0|2,0,0]=4 9735 B12R1.27 CNC(=O)COC1CCSCC1 34a_100000750040_100000069128 [0,1,0,1,0,0|2,0,0]=4 9736 B12R1.27 CNC(=O)COC1CCSCC1 7a_100000731022_100000183359 [0,1,0,1,0,0|2,0,0]=4 9737 B12R1.27 CNC(=O)CSC1CCCCC1 62a_100000183359_100000210327 [0,1,0,1,0,0|1,0,0]=3 9738 B12R1.27 CNC(=O)CSC1CCCCC1 62a_100000210327_100000183359 [0,1,0,1,0,0|1,0,0]=3 9739 B12R1.27 CNC(=O)CSC1CCCOC1 62a_100000183359_100000693364 [0,1,0,1,0,0|2,0,0]=4 9740 B12R1.27 CNC(=O)CSC1CCOCC1 62a_100000183359_100011324220 [0,1,0,1,0,0|2,0,0]=4 9741 B12R1.27 CNC(=O)CSC1CCSCC1 62a_100000183359_100000069128 [0,1,0,1,0,0|2,0,0]=4 9742 B12R1.27 CNC(=O)NCC1CCCCC1 2708a_100000210473_106832991635 [0,1,0,1,0,0|1,0,0]=3 9743 B12R1.27 CNC(=O)NCC1CCCCC1 2708a_100102657272_100000210473 [0,1,0,1,0,0|1,0,0]=3 9744 B12R1.27 CNC(=O)NCC1CCCCC1 273464a_100000210473_100102657272 [0,1,0,1,0,0|1,0,0]=3 9745 B12R1.27 CNC(=O)NCC1CCCCC1 273464a_100102657272_100000210473 [0,1,0,1,0,0|1,0,0]=3 9746 B12R1.27 CNC(=O)NCC1CCCCC1 512a_106832991638_100000210473 [0,1,0,1,0,0|1,0,0]=3 9747 B12R1.27 CNC(=O)NCC1CCCCO1 2708a_100000174945_106832991635 [0,1,0,1,0,0|2,0,0]=4 9748 B12R1.27 CNC(=O)NCC1CCCCO1 2708a_100102657272_100000174945 [0,1,0,1,0,0|2,0,0]=4 9749 B12R1.27 CNC(=O)NCC1CCCCO1 273464a_100000174945_100102657272 [0,1,0,1,0,0|2,0,0]=4 9750 B12R1.27 CNC(=O)NCC1CCCCO1 273464a_100102657272_100000174945 [0,1,0,1,0,0|2,0,0]=4 9751 B12R1.27 CNC(=O)NCC1CCCCO1 512a_100000174945_100102657272 [0,1,0,1,0,0|2,0,0]=4 9752 B12R1.27 CNC(=O)NCC1CCCCO1 512a_106832991638_100000174945 [0,1,0,1,0,0|2,0,0]=4 9753 B12R1.27 CNC(=O)NCC1CCCOC1 2708a_100000720124_106832991635 [0,1,0,1,0,0|2,0,0]=4 9754 B12R1.27 CNC(=O)NCC1CCCOC1 2708a_100102657272_100000720124 [0,1,0,1,0,0|2,0,0]=4 9755 B12R1.27 CNC(=O)NCC1CCCOC1 273464a_100000720124_100102657272 [0,1,0,1,0,0|2,0,0]=4 9756 B12R1.27 CNC(=O)NCC1CCCOC1 273464a_100102657272_100000720124 [0,1,0,1,0,0|2,0,0]=4 9757 B12R1.27 CNC(=O)NCC1CCCOC1 512a_100000720124_100102657272 [0,1,0,1,0,0|2,0,0]=4 9758 B12R1.27 CNC(=O)NCC1CCCOC1 512a_106832991638_100000720124 [0,1,0,1,0,0|2,0,0]=4 9759 B12R1.27 CNC(=O)NCC1CCOCC1 2708a_100000746373_106832991635 [0,1,0,1,0,0|2,0,0]=4 9760 B12R1.27 CNC(=O)NCC1CCOCC1 2708a_100102657272_100000746373 [0,1,0,1,0,0|2,0,0]=4 9761 B12R1.27 CNC(=O)NCC1CCOCC1 273464a_100000746373_100102657272 [0,1,0,1,0,0|2,0,0]=4 9762 B12R1.27 CNC(=O)NCC1CCOCC1 273464a_100102657272_100000746373 [0,1,0,1,0,0|2,0,0]=4 9763 B12R1.27 CNC(=O)NCC1CCOCC1 512a_100000746373_100102657272 [0,1,0,1,0,0|2,0,0]=4 9764 B12R1.27 CNC(=O)NCC1CCOCC1 512a_106832991638_100000746373 [0,1,0,1,0,0|2,0,0]=4 9765 B12R1.27 CNC(=O)NCC1CCSCC1 2708a_100015188806_106832991635 [0,1,0,1,0,0|2,0,0]=4 9766 B12R1.27 CNC(=O)NCC1CCSCC1 2708a_100102657272_100015188806 [0,1,0,1,0,0|2,0,0]=4 9767 B12R1.27 CNC(=O)NCC1CCSCC1 273464a_100015188806_100102657272 [0,1,0,1,0,0|2,0,0]=4 9768 B12R1.27 CNC(=O)NCC1CCSCC1 273464a_100102657272_100015188806 [0,1,0,1,0,0|2,0,0]=4 9769 B12R1.27 CNC(=O)NCC1CCSCC1 512a_100015188806_100102657272 [0,1,0,1,0,0|2,0,0]=4 9770 B12R1.27 CNC(=O)NCC1CCSCC1 512a_106832991638_100015188806 [0,1,0,1,0,0|2,0,0]=4 9771 B12R1.27 CNC(=O)NNC1CCCCC1 273464a_100102657272_100000709804 [0,1,0,1,0,0|2,0,0]=4 9772 B12R1.27 COC(=O)CNC1CCCCC1 2230a_100000182618_100000747449 [0,1,0,1,0,0|2,0,0]=4 9773 B12R1.27 COC(=O)CNC1CCCCC1 34a_100000182618_100000747449 [0,1,0,1,0,0|2,0,0]=4 9774 B12R1.27 COC(=O)COC1CCCCC1 34a_100000210231_100000747449 [0,1,0,1,0,0|2,0,0]=4 9775 B12R1.27 COC(=O)COC1CCCCC1 7a_100000210231_100000747449 [0,1,0,1,0,0|2,0,0]=4 9776 B12R1.27 COC(=O)CSC1CCCCC1 62a_100000210327_100000747449 [0,1,0,1,0,0|2,0,0]=4 9777 B12R1.27 COC(=O)CSC1CCCCC1 62a_100000747449_100000210327 [0,1,0,1,0,0|2,0,0]=4 9778 B12R1.27 O=C(CF)CCC1CCCCC1 1458a_100000211375_100015361967 [0,1,0,1,0,0|2,0,0]=4 9779 B12R1.27 O=C(CF)CCN1CCCCC1 1458a_100000743487_100015361967 [0,1,0,1,0,0|2,0,0]=4 9780 B12R1.27 O=C(CF)COC1CCCCC1 1458a_100011223303_100015361967 [0,1,0,1,0,0|2,0,0]=4 9781 B12R1.27 O=C(CO)CCC1CCCCC1 1458a_100000210174_100011273959 [0,1,0,1,0,0|1,0,0]=3 9782 B12R1.27 O=C(CO)CCC1CCOCC1 1458a_100000210174_100011934994 [0,1,0,1,0,0|1,0,0]=3 9783 B12R1.27 O=C(CO)CCC1OCCCO1 1458a_100000210174_100000764188 [0,1,0,1,0,0|2,0,0]=4 9784 B12R1.27 O=C(CO)CCN1CCCCC1 1458a_100000210174_100000739454 [0,1,0,1,0,0|1,0,0]=3 9785 B12R1.27 O=C(CO)CCN1CCOCC1 1458a_100000210174_100000753993 [0,1,0,1,0,0|2,0,0]=4 9786 B12R1.27 O=C(CO)COC1CCCCC1 1458a_100000210174_100011935260 [0,1,0,1,0,0|1,0,0]=3 9787 B12R1.27 O=C(CO)NCC1CCCCC1 240690a_100000210473_100000210174 [0,1,0,1,0,0|1,0,0]=3 9788 B12R1.27 O=C(CO)NCC1CCCCC1 527a_100000210473_100000210174 [0,1,0,1,0,0|1,0,0]=3 9789 B12R1.27 O=C(CO)NCC1CCCCO1 240690a_100000174945_100000210174 [0,1,0,1,0,0|2,0,0]=4 9790 B12R1.27 O=C(CO)NCC1CCCCO1 527a_100000174945_100000210174 [0,1,0,1,0,0|2,0,0]=4 9791 B12R1.27 O=C(CO)NCC1CCCOC1 240690a_100000720124_100000210174 [0,1,0,1,0,0|2,0,0]=4 9792 B12R1.27 O=C(CO)NCC1CCCOC1 527a_100000720124_100000210174 [0,1,0,1,0,0|2,0,0]=4 9793 B12R1.27 O=C(CO)NCC1CCOCC1 240690a_100000746373_100000210174 [0,1,0,1,0,0|2,0,0]=4 9794 B12R1.27 O=C(CO)NCC1CCOCC1 527a_100000746373_100000210174 [0,1,0,1,0,0|2,0,0]=4 9795 B12R1.27 O=C(CO)NCC1CCSCC1 240690a_100015188806_100000210174 [0,1,0,1,0,0|2,0,0]=4 9796 B12R1.27 O=C(CO)NCC1CCSCC1 527a_100015188806_100000210174 [0,1,0,1,0,0|2,0,0]=4 9797 B12R1.27 O=C(CO)NNC1CCCCC1 22a_100000709804_100000210174 [0,1,0,1,0,0|2,0,0]=4 9798 B12R1.77 C=CC(=O)N1CCCCC1CC 1626a_100000210034_100000185746 [0,1,0,1,0,0|2,0,0]=4 9799 B12R1.77 C=CC(=O)N1CCCCC1CC 240690a_100000210034_200121576911 [0,1,0,1,0,0|2,0,0]=4 9800 B12R1.77 CCC(=O)C1CCCCN1CC 1458a_100000743832_100000210202 [0,1,0,1,0,0|2,0,0]=4 9801 B12R1.77 CCC(=O)N1CCCCC1CC 11a_100000210034_100000210414 [0,1,0,1,0,0|2,0,0]=4 9802 B12R1.77 CCC(=O)N1CCCCC1CC 1626a_100000210034_100000210414 [0,1,0,1,0,0|2,0,0]=4 9803 B12R1.77 CCC(=O)N1CCCCC1CC 240690a_100000210034_100000210414 [0,1,0,1,0,0|2,0,0]=4 9804 B12R1.77 CCC(=O)N1CCCCC1CC 527a_100000210034_100000210414 [0,1,0,1,0,0|2,0,0]=4 9805 B12R1.77 CCC1CCCCN1C(=O)CO 240690a_100000210034_100000210174 [0,1,0,1,0,0|1,0,0]=3 9806 B12R1.77 CCC1CCCCN1C(=O)CO 527a_100000210034_100000210174 [0,1,0,1,0,0|1,0,0]=3 9807 B12R1.77 CCC1CCCCN1C(=O)NC 2708a_100102657272_100000210034 [0,1,0,1,0,0|1,0,0]=3 9808 B12R1.77 CCC1CCCCN1C(=O)NC 273464a_100102657272_100000210034 [0,1,0,1,0,0|1,0,0]=3 9809 B12R1.77 CCN1CCCCC1C(=O)CF 1458a_100000743832_100015361967 [0,1,0,1,0,0|2,0,0]=4 9810 B12R1.77 CCN1CCCCC1C(=O)NC 11a_106832991635_100000743832 [0,1,0,1,0,0|1,0,0]=3 9811 B12R1.77 CCN1CCCCC1C(=O)NC 2230a_100011209383_100000210202 [0,1,0,1,0,0|1,0,0]=3 9812 B12R1.77 CCN1CCCCC1C(=O)NC 240690a_100102657272_100000743832 [0,1,0,1,0,0|1,0,0]=3 9813 B12R1.77 CCN1CCCCC1C(=O)NC 269982a_100011209383_100000204670 [0,1,0,1,0,0|1,0,0]=3 9814 B12R1.77 CCN1CCCCC1C(=O)NC 34a_100011209383_100000210202 [0,1,0,1,0,0|1,0,0]=3 9815 B12R1.77 CCN1CCCCC1C(=O)NC 527a_100102657272_100000743832 [0,1,0,1,0,0|1,0,0]=3 9816 B12R1.77 CCN1CCCCC1C(=O)OC 2230a_100000734855_100000210202 [0,1,0,1,0,0|2,0,0]=4 9817 B12R1.77 CCN1CCCCC1C(=O)OC 269982a_100000734855_100000204670 [0,1,0,1,0,0|2,0,0]=4 9818 B12R1.77 CCN1CCCCC1C(=O)OC 34a_100000734855_100000210202 [0,1,0,1,0,0|2,0,0]=4 9819 B12R1.77 CC[C@H]1COCCN1C(=O)CO 240690a_100016988097_100000210174 [0,1,0,1,0,0|2,0,0]=4 9820 B12R1.77 CC[C@H]1COCCN1C(=O)CO 527a_100016988097_100000210174 [0,1,0,1,0,0|2,0,0]=4 9821 B12R1.77 CC[C@H]1COCCN1C(=O)NC 2708a_100102657272_100016988097 [0,1,0,1,0,0|2,0,0]=4 9822 B12R1.77 CC[C@H]1COCCN1C(=O)NC 273464a_100102657272_100016988097 [0,1,0,1,0,0|2,0,0]=4 9823 B12R1.77 CNC(=O)C1CCCCN1CF 269982a_100011209383_100015361967 [0,1,0,1,0,0|2,0,0]=4 9824 B12R1.77 CNC(=O)C1CCCCN1CF 34a_100011209383_100015361967 [0,1,0,1,0,0|2,0,0]=4 9825 B12R1.77 CNC(=O)N1CCCCC1CO 2708a_100102657272_100000210821 [0,1,0,1,0,0|2,0,0]=4 9826 B12R1.77 CNC(=O)N1CCCCC1CO 273464a_100102657272_100000210821 [0,1,0,1,0,0|2,0,0]=4 9827 B12R1.77 COC(=O)[C@@H]1CCCC[C@@H]1OC 34a_100015709673_200000210301 [0,1,0,1,0,0|2,0,0]=4 9828 B12R1.77 COC(=O)[C@@H]1CCCC[C@@H]1OC 7a_100015709673_200000210301 [0,1,0,1,0,0|2,0,0]=4 9829 B12R1.77 COC(=O)[C@@H]1CCCC[C@@H]1O[13CH3] 34a_100015709673_200025704644 [0,1,0,1,0,0|2,0,0]=4 9830 B12R1.77 COC(=O)[C@@H]1CCCC[C@@H]1O[13CH3] 7a_100015709673_200025704644 [0,1,0,1,0,0|2,0,0]=4 9831 B12R1.77 O=C(CO)N1CCCCC1CO 240690a_100000210821_100000210174 [0,1,0,1,0,0|2,0,0]=4 9832 B12R1.82 CCC(=O)CN1CCCC1CC 269982a_100000754278_100000747405 [0,1,0,1,0,0|2,0,0]=4 9833 B12R1.82 CCC1CCCN1CC(=O)NC 2230a_100000754278_100000183359 [0,1,0,1,0,0|1,0,0]=3 9834 B12R1.82 CCC1CCCN1CC(=O)NC 269982a_100000754278_100000183359 [0,1,0,1,0,0|1,0,0]=3 9835 B12R1.82 CCC1CCCN1CC(=O)NC 34a_100000754278_100000183359 [0,1,0,1,0,0|1,0,0]=3 9836 B12R1.82 CCC1CCCN1CC(=O)OC 2230a_100000754278_100000747449 [0,1,0,1,0,0|2,0,0]=4 9837 B12R1.82 CCC1CCCN1CC(=O)OC 269982a_100000754278_100000747449 [0,1,0,1,0,0|2,0,0]=4 9838 B12R1.82 CCC1CCCN1CC(=O)OC 34a_100000754278_100000747449 [0,1,0,1,0,0|2,0,0]=4 9839 B12R1.82 CCN1CCC[C@@H]1CC(=O)OC 2230a_100025726698_100000210202 [0,1,0,1,0,0|2,0,0]=4 9840 B12R1.82 CCN1CCC[C@@H]1CC(=O)OC 269982a_100025726698_100000204670 [0,1,0,1,0,0|2,0,0]=4 9841 B12R1.82 CCN1CCC[C@@H]1CC(=O)OC 34a_100025726698_100000210202 [0,1,0,1,0,0|2,0,0]=4 9842 B12R1.82 CNC(=O)CN1CCC[C@@H]1CO 2230a_100000745186_100000183359 [0,1,0,1,0,0|2,0,0]=4 9843 B12R1.82 CNC(=O)CN1CCC[C@@H]1CO 269982a_100000745186_100000183359 [0,1,0,1,0,0|2,0,0]=4 9844 B12R1.82 CNC(=O)CN1CCC[C@@H]1CO 34a_100000745186_100000183359 [0,1,0,1,0,0|2,0,0]=4 9845 B12R1.163 CNC(=O)CN1CCC1COC 2230a_100015195929_100000183359 [0,1,0,1,0,0|2,0,0]=4 9846 B12R1.163 CNC(=O)CN1CCC1COC 269982a_100015195929_100000183359 [0,1,0,1,0,0|2,0,0]=4 9847 B12R1.163 CNC(=O)CN1CCC1COC 34a_100015195929_100000183359 [0,1,0,1,0,0|2,0,0]=4 9848 B12R1.291 CCCN1CCC[C@H]1C(=O)NC 2230a_100015185040_100000210303 [0,1,0,1,0,0|1,0,0]=3 9849 B12R1.291 CCCN1CCC[C@H]1C(=O)NC 269982a_100015185040_100000210303 [0,1,0,1,0,0|1,0,0]=3 9850 B12R1.291 CCCN1CCC[C@H]1C(=O)NC 34a_100015185040_100000210303 [0,1,0,1,0,0|1,0,0]=3 9851 B12R1.291 CCCN1CCC[C@H]1C(=O)OC 2230a_100000752040_100000210303 [0,1,0,1,0,0|2,0,0]=4 9852 B12R1.291 CCCN1CCC[C@H]1C(=O)OC 269982a_100000752040_100000210303 [0,1,0,1,0,0|2,0,0]=4 9853 B12R1.291 CCOC1CCCC1C(=O)OC 34a_200000081814_100000210202 [0,1,0,1,0,0|2,0,0]=4 9854 B12R1.291 CCOC1CCCC1C(=O)OC 7a_200000081814_100000210202 [0,1,0,1,0,0|2,0,0]=4 9855 B12R1.291 CNC(=O)N1CCC[C@H]1COC 2708a_100102657272_100020646714 [0,1,0,1,0,0|2,0,0]=4 9856 B12R1.291 CNC(=O)N1CCC[C@H]1COC 273464a_100102657272_100020646714 [0,1,0,1,0,0|2,0,0]=4 9857 B12R1.291 CNC(=O)[C@@H]1CCCN1CCF 2230a_100015185040_100011217306 [0,1,0,1,0,0|2,0,0]=4 9858 B12R1.291 CNC(=O)[C@@H]1CCCN1CCF 269982a_100015185040_100011217306 [0,1,0,1,0,0|2,0,0]=4 9859 B12R1.291 CNC(=O)[C@@H]1CCCN1CCF 34a_100015185040_100011217306 [0,1,0,1,0,0|2,0,0]=4 9860 B12R1.291 CNC(=O)[C@@H]1CCCN1CCO 2230a_100015185040_100000211926 [0,1,0,1,0,0|2,0,0]=4 9861 B12R1.291 CNC(=O)[C@@H]1CCCN1CCO 269982a_100015185040_100000211926 [0,1,0,1,0,0|2,0,0]=4 9862 B12R1.291 CNC(=O)[C@@H]1CCCN1CCO 34a_100015185040_100000211926 [0,1,0,1,0,0|2,0,0]=4 9863 B12R1.291 CNC(=O)[C@@H]1CCCN1COC 2230a_100015185040_100000766300 [0,1,0,1,0,0|2,0,0]=4 9864 B12R1.291 CNC(=O)[C@@H]1CCCN1COC 269982a_100015185040_100000766300 [0,1,0,1,0,0|2,0,0]=4 9865 B12R1.291 CNC(=O)[C@@H]1CCCN1CSC 2230a_100015185040_100011218213 [0,1,0,1,0,0|2,0,0]=4 9866 B12R1.291 CNC(=O)[C@@H]1CCCN1CSC 269982a_100015185040_100011218213 [0,1,0,1,0,0|2,0,0]=4 9867 B12R1.291 CNC(=O)[C@@H]1CCCN1CSC 34a_100015185040_100011218213 [0,1,0,1,0,0|2,0,0]=4 9868 B12R1.291 COC[C@@H]1CCCN1C(=O)CO 240690a_100020646714_100000210174 [0,1,0,1,0,0|2,0,0]=4 9869 B12R1.327 CCCCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000210211 [0,1,0,1,0,0|2,0,0]=4 9870 B12R1.327 CCCCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000210211 [0,1,0,1,0,0|2,0,0]=4 9871 B12R1.353 C#CC(=O)CCC1CCCN1C 1458a_100000211873_100000005710 [0,1,0,1,0,0|2,0,0]=4 9872 B12R1.353 C=CC(=O)CCC1CCCN1C 1458a_100000185746_100000005710 [0,1,0,1,0,0|2,0,0]=4 9873 B12R1.353 CCC(=O)CCC1CCCN1C 1458a_100000210414_100000005710 [0,1,0,1,0,0|2,0,0]=4 9874 B12R1.353 CCC(=O)COC1CCCC1C 7a_100011216460_100000747405 [0,1,0,1,0,0|2,0,0]=4 9875 B12R1.353 CN1CCCC1CCC(=O)CO 1458a_100000210174_100000005710 [0,1,0,1,0,0|1,0,0]=3 9876 B12R1.353 CN1CCC[C@H]1CNC(=O)CO 240690a_100009821018_100000210174 [0,1,0,1,0,0|2,0,0]=4 9877 B12R1.353 CN1CCC[C@H]1CNC(=O)CO 527a_100009821018_100000210174 [0,1,0,1,0,0|2,0,0]=4 9878 B12R1.353 CNC(=O)CCN1CCC[C@@H]1C 2230a_100020605311_100000737683 [0,1,0,1,0,0|1,0,0]=3 9879 B12R1.353 CNC(=O)CCN1CCC[C@@H]1C 269982a_100020605311_100000737683 [0,1,0,1,0,0|1,0,0]=3 9880 B12R1.353 CNC(=O)CCN1CCC[C@H]1C 2230a_100015189458_100000737683 [0,1,0,1,0,0|1,0,0]=3 9881 B12R1.353 CNC(=O)CCN1CCC[C@H]1C 269982a_100015189458_100000737683 [0,1,0,1,0,0|1,0,0]=3 9882 B12R1.353 CNC(=O)CCN1CCC[C@H]1C 34a_100015189458_100012179268 [0,1,0,1,0,0|1,0,0]=3 9883 B12R1.353 CNC(=O)CCN1CCSC1C 2230a_200011216479_100000737683 [0,1,0,1,0,0|2,0,0]=4 9884 B12R1.353 CNC(=O)CCN1CCSC1C 269982a_200011216479_100000737683 [0,1,0,1,0,0|2,0,0]=4 9885 B12R1.353 CNC(=O)CCN1CCSC1C 34a_200011216479_100012179268 [0,1,0,1,0,0|2,0,0]=4 9886 B12R1.353 CNC(=O)CNC1CCCC1C 269862a_100000693194_100000752053 [0,1,0,1,0,0|1,0,0]=3 9887 B12R1.353 CNC(=O)CNC1CCOC1C 270004a_100000693194_100000691750 [0,1,0,1,0,0|2,0,0]=4 9888 B12R1.353 CNC(=O)COC1CCCC1C 34a_100011216460_100000183359 [0,1,0,1,0,0|1,0,0]=3 9889 B12R1.353 CNC(=O)COC1CCCC1C 7a_100011216460_100000183359 [0,1,0,1,0,0|1,0,0]=3 9890 B12R1.353 CNC(=O)CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000183359 [0,1,0,1,0,0|2,0,0]=4 9891 B12R1.353 CNC(=O)CO[C@H]1CCC[C@@H]1N 34a_100000748460_100000183359 [0,1,0,1,0,0|2,0,0]=4 9892 B12R1.353 CNC(=O)CO[C@H]1CNC[C@H]1C 34a_200015306588_100000183359 [0,1,0,1,0,0|2,0,0]=4 9893 B12R1.353 CNC(=O)CS[C@@H]1CCC[C@H]1O 62a_100000183359_200016002552 [0,1,0,1,0,0|2,0,0]=4 9894 B12R1.353 CNC(=O)CS[C@@H]1CCC[C@H]1O 62a_200016002552_100000183359 [0,1,0,1,0,0|2,0,0]=4 9895 B12R1.353 CNC(=O)NC[C@@H]1CCCN1C 2708a_100009821018_106832991635 [0,1,0,1,0,0|2,0,0]=4 9896 B12R1.353 CNC(=O)NC[C@@H]1CCCN1C 2708a_100102657272_100009821018 [0,1,0,1,0,0|2,0,0]=4 9897 B12R1.353 CNC(=O)NC[C@@H]1CCCN1C 273464a_100009821018_100102657272 [0,1,0,1,0,0|2,0,0]=4 9898 B12R1.353 CNC(=O)NC[C@@H]1CCCN1C 273464a_100102657272_100009821018 [0,1,0,1,0,0|2,0,0]=4 9899 B12R1.353 CNC(=O)NC[C@@H]1CCCN1C 512a_100009821018_100102657272 [0,1,0,1,0,0|2,0,0]=4 9900 B12R1.353 CNC(=O)NC[C@@H]1CCCN1C 512a_106832991638_100009821018 [0,1,0,1,0,0|2,0,0]=4 9901 B12R1.353 COC(=O)CCN1CCC[C@@H]1C 2230a_100020605311_100000204255 [0,1,0,1,0,0|2,0,0]=4 9902 B12R1.353 COC(=O)CCN1CCC[C@@H]1C 269982a_100020605311_100000204255 [0,1,0,1,0,0|2,0,0]=4 9903 B12R1.353 COC(=O)CCN1CCC[C@H]1C 2230a_100015189458_100000204255 [0,1,0,1,0,0|2,0,0]=4 9904 B12R1.353 COC(=O)CCN1CCC[C@H]1C 269982a_100015189458_100000204255 [0,1,0,1,0,0|2,0,0]=4 9905 B12R1.353 COC(=O)CCN1CCC[C@H]1C 34a_100015189458_100000742370 [0,1,0,1,0,0|2,0,0]=4 9906 B12R1.353 COC(=O)COC1CCCC1C 34a_100011216460_100000747449 [0,1,0,1,0,0|2,0,0]=4 9907 B12R1.353 COC(=O)COC1CCCC1C 7a_100011216460_100000747449 [0,1,0,1,0,0|2,0,0]=4 9908 B12R1.355 CNC(=O)CCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000741757 [0,1,0,1,0,0|2,0,0]=4 9909 B12R1.355 CNC(=O)CCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000741757 [0,1,0,1,0,0|2,0,0]=4 9910 B12R1.355 CNC(=O)CCCN[C@@H]1C[C@H]1F 34a_100025746932_100000741757 [0,1,0,1,0,0|2,0,0]=4 9911 B12R1.355 CNC(=O)CCOCC1CC1C 34a_100000744939_100012179268 [0,1,0,1,0,0|1,0,0]=3 9912 B12R1.355 CNC(=O)CCOCC1CC1C 7a_100000744939_100000737683 [0,1,0,1,0,0|1,0,0]=3 9913 B12R1.355 COC(=O)CCOCC1CC1C 34a_100000744939_100000742370 [0,1,0,1,0,0|2,0,0]=4 9914 B12R1.355 COC(=O)CCOCC1CC1C 7a_100000744939_100000204255 [0,1,0,1,0,0|2,0,0]=4 9915 B12R1.356 CNC(=O)CCCNC1CCC1 2230a_100000749019_100000741757 [0,1,0,1,0,0|1,0,0]=3 9916 B12R1.356 CNC(=O)CCCNC1CCC1 270004a_100000740002_100000241760 [0,1,0,1,0,0|1,0,0]=3 9917 B12R1.356 CNC(=O)CCCNC1CCC1 34a_100000740002_100000749161 [0,1,0,1,0,0|1,0,0]=3 9918 B12R1.356 CNC(=O)CCCNC1CCC1 34a_100000749019_100000741757 [0,1,0,1,0,0|1,0,0]=3 9919 B12R1.356 CNC(=O)CCCNC1COC1 2230a_100016991112_100000741757 [0,1,0,1,0,0|2,0,0]=4 9920 B12R1.356 CNC(=O)CCCNC1COC1 34a_100000740002_100009818527 [0,1,0,1,0,0|2,0,0]=4 9921 B12R1.356 CNC(=O)CCCOC1CCC1 34a_100000748187_100000741757 [0,1,0,1,0,0|1,0,0]=3 9922 B12R1.356 CNC(=O)CCCOC1CSC1 7a_100000072292_100000741757 [0,1,0,1,0,0|2,0,0]=4 9923 B12R1.356 CNC(=O)CCCSC1CCC1 62a_100000741757_100000749161 [0,1,0,1,0,0|1,0,0]=3 9924 B12R1.356 CNC(=O)CCCSC1COC1 62a_100000741757_100009818527 [0,1,0,1,0,0|2,0,0]=4 9925 B12R1.356 CNC(=O)CCNCC1CCC1 2230a_100000738227_100000763275 [0,1,0,1,0,0|1,0,0]=3 9926 B12R1.356 CNC(=O)CCNCC1CCC1 2230a_100000738700_100000737683 [0,1,0,1,0,0|1,0,0]=3 9927 B12R1.356 CNC(=O)CCNCC1CCC1 269862a_100000738227_100000753134 [0,1,0,1,0,0|1,0,0]=3 9928 B12R1.356 CNC(=O)CCNCC1CCC1 34a_100000738227_100000763275 [0,1,0,1,0,0|1,0,0]=3 9929 B12R1.356 CNC(=O)CCNCC1CCC1 34a_100000738700_100012179268 [0,1,0,1,0,0|1,0,0]=3 9930 B12R1.356 CNC(=O)CCNCC1CCO1 2230a_100000738227_100000103362 [0,1,0,1,0,0|2,0,0]=4 9931 B12R1.356 CNC(=O)CCNCC1CCO1 34a_100000738227_100000103362 [0,1,0,1,0,0|2,0,0]=4 9932 B12R1.356 CNC(=O)CCNCC1COC1 2230a_100000738227_100010264016 [0,1,0,1,0,0|2,0,0]=4 9933 B12R1.356 CNC(=O)CCNCC1COC1 2230a_100015281925_100000737683 [0,1,0,1,0,0|2,0,0]=4 9934 B12R1.356 CNC(=O)CCNCC1COC1 34a_100000738227_100010264016 [0,1,0,1,0,0|2,0,0]=4 9935 B12R1.356 CNC(=O)CCNCC1COC1 34a_100015281925_100012179268 [0,1,0,1,0,0|2,0,0]=4 9936 B12R1.356 CNC(=O)CCNC[C@@H]1CCO1 2230a_100020831831_100000737683 [0,1,0,1,0,0|2,0,0]=4 9937 B12R1.356 CNC(=O)CCNC[C@@H]1CCO1 34a_100020831831_100012179268 [0,1,0,1,0,0|2,0,0]=4 9938 B12R1.356 CNC(=O)CCOCC1CCC1 34a_100000754576_100000763275 [0,1,0,1,0,0|1,0,0]=3 9939 B12R1.356 CNC(=O)CCOCC1CCC1 34a_100000760304_100012179268 [0,1,0,1,0,0|1,0,0]=3 9940 B12R1.356 CNC(=O)CCOCC1CCO1 34a_100000039022_100012179268 [0,1,0,1,0,0|2,0,0]=4 9941 B12R1.356 CNC(=O)CCOCC1CCO1 34a_100000754576_100000103362 [0,1,0,1,0,0|2,0,0]=4 9942 B12R1.356 CNC(=O)CCOCC1CNC1 34a_100016987283_100012179268 [0,1,0,1,0,0|2,0,0]=4 9943 B12R1.356 CNC(=O)CCOCC1COC1 34a_100000060846_100012179268 [0,1,0,1,0,0|2,0,0]=4 9944 B12R1.356 CNC(=O)CCOCC1COC1 34a_100000754576_100010264016 [0,1,0,1,0,0|2,0,0]=4 9945 B12R1.356 CNC(=O)CCSCC1CCC1 62a_100000737683_100000763275 [0,1,0,1,0,0|1,0,0]=3 9946 B12R1.356 CNC(=O)CCSCC1CCC1 62a_100000763275_100000737683 [0,1,0,1,0,0|1,0,0]=3 9947 B12R1.356 CNC(=O)CCSCC1CCO1 62a_100000103362_100000737683 [0,1,0,1,0,0|2,0,0]=4 9948 B12R1.356 CNC(=O)CCSCC1CCO1 62a_100000737683_100000103362 [0,1,0,1,0,0|2,0,0]=4 9949 B12R1.356 CNC(=O)CCSCC1COC1 62a_100000737683_100010264016 [0,1,0,1,0,0|2,0,0]=4 9950 B12R1.356 CNC(=O)CCSCC1COC1 62a_100010264016_100000737683 [0,1,0,1,0,0|2,0,0]=4 9951 B12R1.356 CNC(=O)COCCC1COC1 34a_100009855314_100000183359 [0,1,0,1,0,0|2,0,0]=4 9952 B12R1.356 CNC(=O)NCCNC1CCC1 34a_100015205895_100000749161 [0,1,0,1,0,0|2,0,0]=4 9953 B12R1.356 CNC(=O)OCCNC1CCC1 34a_100000749019_200011997002 [0,1,0,1,0,0|2,0,0]=4 9954 B12R1.356 CNC(=O)OCCOC1CCC1 34a_100000748187_200011997002 [0,1,0,1,0,0|2,0,0]=4 9955 B12R1.356 CNC(=O)OCCSC1CCC1 62a_200011997002_100000749161 [0,1,0,1,0,0|2,0,0]=4 9956 B12R1.356 COC(=O)CCCCN1CCC1 269982a_100000754969_100000204269 [0,1,0,1,0,0|2,0,0]=4 9957 B12R1.356 COC(=O)CCCNC1CCC1 2230a_100000749019_100011218270 [0,1,0,1,0,0|2,0,0]=4 9958 B12R1.356 COC(=O)CCCNC1CCC1 34a_100000749019_100000742333 [0,1,0,1,0,0|2,0,0]=4 9959 B12R1.356 COC(=O)CCCOC1CCC1 34a_100000748187_100000742333 [0,1,0,1,0,0|2,0,0]=4 9960 B12R1.356 COC(=O)CCCSC1CCC1 62a_100011218270_100000749161 [0,1,0,1,0,0|2,0,0]=4 9961 B12R1.356 COC(=O)CCNCC1CCC1 2230a_100000738700_100000204255 [0,1,0,1,0,0|2,0,0]=4 9962 B12R1.356 COC(=O)CCNCC1CCC1 34a_100000738700_100000742370 [0,1,0,1,0,0|2,0,0]=4 9963 B12R1.356 COC(=O)CCOCC1CCC1 34a_100000760304_100000742370 [0,1,0,1,0,0|2,0,0]=4 9964 B12R1.356 COC(=O)CCSCC1CCC1 62a_100000204255_100000763275 [0,1,0,1,0,0|2,0,0]=4 9965 B12R1.356 COC(=O)CCSCC1CCC1 62a_100000763275_100000204255 [0,1,0,1,0,0|2,0,0]=4 9966 B12R1.356 NC(=NO)CCOCC1CCC1 34a_100000749954_100000763275 [0,1,0,1,0,0|1,0,1]=4 9967 B12R1.356 NNC(=O)CCCOC1CCC1 34a_100000211488_100000749161 [0,1,0,1,0,0|1,0,0]=3 9968 B12R1.356 NNC(=O)CCCOC1COC1 34a_100000211488_100009818527 [0,1,0,1,0,0|2,0,0]=4 9969 B12R1.360 CNC(=O)CCCNCC1CC1 2230a_100000735609_100000741757 [0,1,0,1,0,0|1,0,0]=3 9970 B12R1.360 CNC(=O)CCCNCC1CC1 2230a_100000740002_100000742324 [0,1,0,1,0,0|1,0,0]=3 9971 B12R1.360 CNC(=O)CCCNCC1CC1 269862a_100000740002_100000741477 [0,1,0,1,0,0|1,0,0]=3 9972 B12R1.360 CNC(=O)CCCNCC1CC1 34a_100000735609_100000741757 [0,1,0,1,0,0|1,0,0]=3 9973 B12R1.360 CNC(=O)CCCNCC1CC1 34a_100000740002_100000742324 [0,1,0,1,0,0|1,0,0]=3 9974 B12R1.360 CNC(=O)CCCNCC1CO1 2230a_100000740002_100011216344 [0,1,0,1,0,0|2,0,0]=4 9975 B12R1.360 CNC(=O)CCCNCC1CO1 34a_100000740002_102125554688 [0,1,0,1,0,0|2,0,0]=4 9976 B12R1.360 CNC(=O)CCCOCC1CC1 34a_100000211283_100000741757 [0,1,0,1,0,0|1,0,0]=3 9977 B12R1.360 CNC(=O)CCCOC[C@@H]1CO1 34a_100000757423_100000741757 [0,1,0,1,0,0|2,0,0]=4 9978 B12R1.360 CNC(=O)CCCSCC1CC1 62a_100000741757_100000742324 [0,1,0,1,0,0|1,0,0]=3 9979 B12R1.360 CNC(=O)CCCSCC1CC1 62a_100000756562_100000741757 [0,1,0,1,0,0|1,0,0]=3 9980 B12R1.360 CNC(=O)CCCSCC1CO1 62a_100000741757_102125554688 [0,1,0,1,0,0|2,0,0]=4 9981 B12R1.360 CNC(=O)CCCSCC1CO1 62a_102125554688_100000741757 [0,1,0,1,0,0|2,0,0]=4 9982 B12R1.360 CNC(=O)CCCSCC1CS1 62a_100000031435_100000741757 [0,1,0,1,0,0|2,0,0]=4 9983 B12R1.360 CNC(=O)CCCSCC1CS1 62a_100000741757_100000031435 [0,1,0,1,0,0|2,0,0]=4 9984 B12R1.360 CNC(=O)CCCSC[C@@H]1CO1 62a_100000741757_100000745022 [0,1,0,1,0,0|2,0,0]=4 9985 B12R1.360 CNC(=O)CCCSC[C@@H]1CO1 62a_100000745022_100000741757 [0,1,0,1,0,0|2,0,0]=4 9986 B12R1.360 CNC(=O)CCNCCC1CC1 2230a_100000738227_100000694398 [0,1,0,1,0,0|1,0,0]=3 9987 B12R1.360 CNC(=O)CCNCCC1CC1 34a_100000738227_100000694398 [0,1,0,1,0,0|1,0,0]=3 9988 B12R1.360 CNC(=O)CCNCCC1CC1 34a_100000764129_100012179268 [0,1,0,1,0,0|1,0,0]=3 9989 B12R1.360 CNC(=O)CCNCCC1CO1 2230a_100000738227_100000732470 [0,1,0,1,0,0|2,0,0]=4 9990 B12R1.360 CNC(=O)CCNCCC1CO1 34a_100000738227_100000732470 [0,1,0,1,0,0|2,0,0]=4 9991 B12R1.360 CNC(=O)CCOCCC1CC1 34a_100000754188_100012179268 [0,1,0,1,0,0|1,0,0]=3 9992 B12R1.360 CNC(=O)CCOCCC1CC1 34a_100000754576_100000694398 [0,1,0,1,0,0|1,0,0]=3 9993 B12R1.360 CNC(=O)CCOCCC1CC1 7a_100000754188_100000737683 [0,1,0,1,0,0|1,0,0]=3 9994 B12R1.360 CNC(=O)CCOCCC1CO1 34a_100000754576_100000732470 [0,1,0,1,0,0|2,0,0]=4 9995 B12R1.360 CNC(=O)CCOCC[C@@H]1CO1 34a_100009820653_100012179268 [0,1,0,1,0,0|2,0,0]=4 9996 B12R1.360 CNC(=O)CCSCCC1CC1 62a_100000737683_100000764125 [0,1,0,1,0,0|1,0,0]=3 9997 B12R1.360 CNC(=O)CCSCCC1CC1 62a_100000764125_100000737683 [0,1,0,1,0,0|1,0,0]=3 9998 B12R1.360 CNC(=O)CCSCCC1CO1 62a_100000732470_100000737683 [0,1,0,1,0,0|2,0,0]=4 9999 B12R1.360 CNC(=O)CCSCCC1CO1 62a_100000737683_100000732470 [0,1,0,1,0,0|2,0,0]=4 10000 B12R1.360 CNC(=O)CNCCCC1CO1 2230a_100000693194_100000733510 [0,1,0,1,0,0|2,0,0]=4 10001 B12R1.360 CNC(=O)COCCCC1CO1 34a_100000750040_100000733510 [0,1,0,1,0,0|2,0,0]=4 10002 B12R1.360 CNC(=O)COCCNC1CC1 34a_100000738766_100000183359 [0,1,0,1,0,0|2,0,0]=4 10003 B12R1.360 CNC(=O)CSCCCC1CO1 62a_100000183359_100000733510 [0,1,0,1,0,0|2,0,0]=4 10004 B12R1.360 CNC(=O)CSCCCC1CO1 62a_100000733510_100000183359 [0,1,0,1,0,0|2,0,0]=4 10005 B12R1.360 CNC(=O)NCCNCC1CC1 269862a_100015205895_100000741477 [0,1,0,1,0,0|2,0,0]=4 10006 B12R1.360 CNC(=O)NCCNCC1CC1 34a_100015205895_100000742324 [0,1,0,1,0,0|2,0,0]=4 10007 B12R1.360 CNC(=O)OCCNCC1CC1 34a_100000735609_200011997002 [0,1,0,1,0,0|2,0,0]=4 10008 B12R1.360 CNC(=O)OCCOCC1CC1 34a_100000211283_200011997002 [0,1,0,1,0,0|2,0,0]=4 10009 B12R1.360 CNC(=O)OCCSCC1CC1 62a_100000756562_200011997002 [0,1,0,1,0,0|2,0,0]=4 10010 B12R1.360 CNC(=O)OCCSCC1CC1 62a_200011997002_100000742324 [0,1,0,1,0,0|2,0,0]=4 10011 B12R1.360 COC(=O)CCCCNC1CC1 34a_100000212008_100000204269 [0,1,0,1,0,0|2,0,0]=4 10012 B12R1.360 COC(=O)CCCCOC1CC1 34a_100000059025_100000211595 [0,1,0,1,0,0|2,0,0]=4 10013 B12R1.360 COC(=O)CCCCSC1CC1 62a_100000204269_100000211595 [0,1,0,1,0,0|2,0,0]=4 10014 B12R1.360 COC(=O)CCCNCC1CC1 2230a_100000735609_100011218270 [0,1,0,1,0,0|2,0,0]=4 10015 B12R1.360 COC(=O)CCCNCC1CC1 34a_100000735609_100000742333 [0,1,0,1,0,0|2,0,0]=4 10016 B12R1.360 COC(=O)CCCOCC1CC1 34a_100000211283_100000742333 [0,1,0,1,0,0|2,0,0]=4 10017 B12R1.360 COC(=O)CCCSCC1CC1 62a_100000756562_100011218270 [0,1,0,1,0,0|2,0,0]=4 10018 B12R1.360 COC(=O)CCCSCC1CC1 62a_100011218270_100000742324 [0,1,0,1,0,0|2,0,0]=4 10019 B12R1.360 COC(=O)CCNCCC1CC1 34a_100000764129_100000742370 [0,1,0,1,0,0|2,0,0]=4 10020 B12R1.360 COC(=O)CCOCCC1CC1 34a_100000754188_100000742370 [0,1,0,1,0,0|2,0,0]=4 10021 B12R1.360 COC(=O)CCOCCC1CC1 7a_100000754188_100000204255 [0,1,0,1,0,0|2,0,0]=4 10022 B12R1.360 COC(=O)CCSCCC1CC1 62a_100000204255_100000764125 [0,1,0,1,0,0|2,0,0]=4 10023 B12R1.360 COC(=O)CCSCCC1CC1 62a_100000764125_100000204255 [0,1,0,1,0,0|2,0,0]=4 10024 B12R1.360 NC(=NO)CCOCCC1CC1 34a_100000749954_100000694398 [0,1,0,1,0,0|1,0,1]=4 10025 B12R1.360 NNC(=O)CCCOCC1CC1 34a_100000211488_100000742324 [0,1,0,1,0,0|1,0,0]=3 10026 B12R1.360 NNC(=O)CCCOCC1CO1 34a_100000211488_102125554688 [0,1,0,1,0,0|2,0,0]=4 10027 B12R1.364 CNC(=O)CCCN1CCC1C 269982a_100000755817_100000741757 [0,1,0,1,0,0|1,0,0]=3 10028 B12R1.364 CNC(=O)CCCN1CCC1C 34a_100000755817_100000741757 [0,1,0,1,0,0|1,0,0]=3 10029 B12R1.364 CNC(=O)OCCN1CCC1C 269982a_100000755817_200011997002 [0,1,0,1,0,0|2,0,0]=4 10030 B12R1.364 CNC(=O)OCCN1CCC1C 34a_100000755817_200011997002 [0,1,0,1,0,0|2,0,0]=4 10031 B12R1.364 COC(=O)CCCN1CCC1C 269982a_100000755817_100011218270 [0,1,0,1,0,0|2,0,0]=4 10032 B12R1.364 COC(=O)CCCN1CCC1C 34a_100000755817_100000742333 [0,1,0,1,0,0|2,0,0]=4 10033 B12R1.365 CCC(=O)C1CCCCCN1C 1458a_100015187800_100000210202 [0,1,0,1,0,0|2,0,0]=4 10034 B12R1.365 CN1CCCCCC1C(=O)CF 1458a_100015187800_100015361967 [0,1,0,1,0,0|2,0,0]=4 10035 B12R1.365 CNC(=O)C1CCCCCN1C 240690a_100102657272_100015187800 [0,1,0,1,0,0|1,0,0]=3 10036 B12R1.365 CNC(=O)C1CCCCCN1C 527a_100102657272_100015187800 [0,1,0,1,0,0|1,0,0]=3 10037 B12R1.365 O=C(CO)C1CCCCCC1=O 1458a_100000210174_100000243696 [0,1,0,1,0,0|1,0,1]=4 10038 B12R1.371 C#CC(=O)CC1CCCCN1C 1458a_100000211873_100015185383 [0,1,0,1,0,0|2,0,0]=4 10039 B12R1.371 C=CC(=O)CC1CCCCN1C 1458a_100000185746_100015185383 [0,1,0,1,0,0|2,0,0]=4 10040 B12R1.371 C=CC(=O)NC1CCCCC1C 1626a_100000211402_100000185746 [0,1,0,1,0,0|2,0,0]=4 10041 B12R1.371 C=CC(=O)NC1CCCCC1C 240690a_100000211402_200121576911 [0,1,0,1,0,0|2,0,0]=4 10042 B12R1.371 CC1CCCCC1NC(=O)CO 240690a_100000211402_100000210174 [0,1,0,1,0,0|1,0,0]=3 10043 B12R1.371 CC1CCCCC1NC(=O)CO 527a_100000211402_100000210174 [0,1,0,1,0,0|1,0,0]=3 10044 B12R1.371 CCC(=O)CC1CCCCN1C 1458a_100000210414_100015185383 [0,1,0,1,0,0|2,0,0]=4 10045 B12R1.371 CCC(=O)CN1CCCCC1C 269982a_100000211376_100000747405 [0,1,0,1,0,0|2,0,0]=4 10046 B12R1.371 CCC(=O)NC1CCCCC1C 11a_100000211402_100000210414 [0,1,0,1,0,0|2,0,0]=4 10047 B12R1.371 CCC(=O)NC1CCCCC1C 1626a_100000211402_100000210414 [0,1,0,1,0,0|2,0,0]=4 10048 B12R1.371 CCC(=O)NC1CCCCC1C 240690a_100000211402_100000210414 [0,1,0,1,0,0|2,0,0]=4 10049 B12R1.371 CCC(=O)NC1CCCCC1C 527a_100000211402_100000210414 [0,1,0,1,0,0|2,0,0]=4 10050 B12R1.371 CN1CCCCC1CC(=O)CO 1458a_100000210174_100015185383 [0,1,0,1,0,0|1,0,0]=3 10051 B12R1.371 CNC(=O)CN1CCCCC1C 2230a_100000211376_100000183359 [0,1,0,1,0,0|1,0,0]=3 10052 B12R1.371 CNC(=O)CN1CCCCC1C 269982a_100000211376_100000183359 [0,1,0,1,0,0|1,0,0]=3 10053 B12R1.371 CNC(=O)CN1CCCCC1C 34a_100000211376_100000183359 [0,1,0,1,0,0|1,0,0]=3 10054 B12R1.371 CNC(=O)CN1CCOC[C@@H]1C 2230a_100009815349_100000183359 [0,1,0,1,0,0|2,0,0]=4 10055 B12R1.371 CNC(=O)CN1CCOC[C@@H]1C 269982a_100009815349_100000183359 [0,1,0,1,0,0|2,0,0]=4 10056 B12R1.371 CNC(=O)CN1CCOC[C@@H]1C 34a_100009815349_100000183359 [0,1,0,1,0,0|2,0,0]=4 10057 B12R1.371 CNC(=O)NC1CCCCC1C 2708a_100000211402_106832991635 [0,1,0,1,0,0|1,0,0]=3 10058 B12R1.371 CNC(=O)NC1CCCCC1C 2708a_100102657272_100000211402 [0,1,0,1,0,0|1,0,0]=3 10059 B12R1.371 CNC(=O)NC1CCCCC1C 273464a_100000211402_100102657272 [0,1,0,1,0,0|1,0,0]=3 10060 B12R1.371 CNC(=O)NC1CCCCC1C 273464a_100102657272_100000211402 [0,1,0,1,0,0|1,0,0]=3 10061 B12R1.371 CNC(=O)NC1CCCCC1C 512a_100000211402_100102657272 [0,1,0,1,0,0|1,0,0]=3 10062 B12R1.371 CNC(=O)NC1CCCCC1C 512a_106832991638_100000211402 [0,1,0,1,0,0|1,0,0]=3 10063 B12R1.371 CNC(=O)N[C@@H]1CCCC[C@@H]1O 2708a_100102657272_100015191688 [0,1,0,1,0,0|2,0,0]=4 10064 B12R1.371 CNC(=O)N[C@@H]1CCCC[C@@H]1O 273464a_100102657272_100015191688 [0,1,0,1,0,0|2,0,0]=4 10065 B12R1.371 CNC(=O)N[C@@H]1CCCC[C@H]1F 2708a_100015195156_106832991635 [0,1,0,1,0,0|2,0,0]=4 10066 B12R1.371 CNC(=O)N[C@@H]1CCCC[C@H]1F 2708a_100102657272_100015195156 [0,1,0,1,0,0|2,0,0]=4 10067 B12R1.371 CNC(=O)N[C@@H]1CCCC[C@H]1F 273464a_100015195156_100102657272 [0,1,0,1,0,0|2,0,0]=4 10068 B12R1.371 CNC(=O)N[C@@H]1CCCC[C@H]1F 273464a_100102657272_100015195156 [0,1,0,1,0,0|2,0,0]=4 10069 B12R1.371 CNC(=O)N[C@@H]1CCCC[C@H]1F 512a_100015195156_100102657272 [0,1,0,1,0,0|2,0,0]=4 10070 B12R1.371 CNC(=O)N[C@@H]1CCCC[C@H]1F 512a_106832991638_100015195156 [0,1,0,1,0,0|2,0,0]=4 10071 B12R1.371 COC(=O)CN1CCCCC1C 2230a_100000211376_100000747449 [0,1,0,1,0,0|2,0,0]=4 10072 B12R1.371 COC(=O)CN1CCCCC1C 269982a_100000211376_100000747449 [0,1,0,1,0,0|2,0,0]=4 10073 B12R1.371 COC(=O)CN1CCCCC1C 34a_100000211376_100000747449 [0,1,0,1,0,0|2,0,0]=4 10074 B12R1.371 O=C(CO)N[C@@H]1CCCC[C@@H]1O 240690a_100015191688_100000210174 [0,1,0,1,0,0|2,0,0]=4 10075 B12R1.371 O=C(CO)N[C@@H]1CCCC[C@@H]1O 527a_100015191688_100000210174 [0,1,0,1,0,0|2,0,0]=4 10076 B12R1.371 O=C(CO)N[C@@H]1CCCC[C@H]1F 240690a_100015195156_100000210174 [0,1,0,1,0,0|2,0,0]=4 10077 B12R1.371 O=C(CO)N[C@@H]1CCCC[C@H]1F 527a_100015195156_100000210174 [0,1,0,1,0,0|2,0,0]=4 10078 B12R1.383 CCCCCCOC1CCC1=O 34a_100000210259_100009892977 [0,1,0,1,0,0|2,0,0]=4 10079 B12R1.383 CCCCCCOC1CCC1=O 7a_100000210259_100009892977 [0,1,0,1,0,0|2,0,0]=4 10080 B12R1.383 CCCCCCSC1CCC1=O 62a_100000210314_100009892977 [0,1,0,1,0,0|2,0,0]=4 10081 B12R1.383 CCCCCCSC1CCC1=O 62a_100009892977_100000210757 [0,1,0,1,0,0|2,0,0]=4 10082 B12R1.383 CCCCNCCC1CCC1=O 2230a_100000102301_200016118888 [0,1,0,1,0,0|2,0,0]=4 10083 B12R1.383 CCCCNCCC1CCC1=O 7a_106832991798_200016118888 [0,1,0,1,0,0|2,0,0]=4 10084 B12R1.383 CCCCOCCC1CCC1=O 7a_100000210227_200016118888 [0,1,0,1,0,0|2,0,0]=4 10085 B12R1.383 CCCCSCCC1CCC1=O 62a_100000210211_200016118888 [0,1,0,1,0,0|2,0,0]=4 10086 B12R1.383 CCCCSCCC1CCC1=O 62a_200016118888_100000210210 [0,1,0,1,0,0|2,0,0]=4 10087 B12R1.477 C#CC(=O)CCCC1CCCC1 1458a_100000211873_100011713738 [0,1,0,1,0,0|2,0,0]=4 10088 B12R1.477 C#CC(=O)CCCN1CCCC1 1458a_100000211873_100011445909 [0,1,0,1,0,0|2,0,0]=4 10089 B12R1.477 C=CC(=O)CCCC1CCCC1 1458a_100000185746_100011713738 [0,1,0,1,0,0|2,0,0]=4 10090 B12R1.477 C=CC(=O)CCCN1CCCC1 1458a_100000185746_100011445909 [0,1,0,1,0,0|2,0,0]=4 10091 B12R1.477 C=CC(=O)NCCC1CCCC1 1626a_100000739158_100000185746 [0,1,0,1,0,0|2,0,0]=4 10092 B12R1.477 C=CC(=O)NCCC1CCCC1 240690a_100000739158_200121576911 [0,1,0,1,0,0|2,0,0]=4 10093 B12R1.477 CCC(=O)CCCC1CCCC1 1458a_100000210414_100011713738 [0,1,0,1,0,0|2,0,0]=4 10094 B12R1.477 CCC(=O)CCCN1CCCC1 1458a_100000210414_100011445909 [0,1,0,1,0,0|2,0,0]=4 10095 B12R1.477 CCC(=O)CCCN1CCCC1 1458a_100000743284_100000210202 [0,1,0,1,0,0|2,0,0]=4 10096 B12R1.477 CCC(=O)COCC1CCCC1 34a_100000725409_100000740388 [0,1,0,1,0,0|2,0,0]=4 10097 B12R1.477 CCC(=O)COCC1CCCC1 7a_100000742336_100000747405 [0,1,0,1,0,0|2,0,0]=4 10098 B12R1.477 CCC(=O)CSCC1CCCC1 62a_100000740388_100000747405 [0,1,0,1,0,0|2,0,0]=4 10099 B12R1.477 CCC(=O)CSCC1CCCC1 62a_100000747405_100000740388 [0,1,0,1,0,0|2,0,0]=4 10100 B12R1.477 CCC(=O)NCCC1CCCC1 11a_100000739158_100000210414 [0,1,0,1,0,0|2,0,0]=4 10101 B12R1.477 CCC(=O)NCCC1CCCC1 1626a_100000739158_100000210414 [0,1,0,1,0,0|2,0,0]=4 10102 B12R1.477 CCC(=O)NCCC1CCCC1 240690a_100000739158_100000210414 [0,1,0,1,0,0|2,0,0]=4 10103 B12R1.477 CCC(=O)NCCC1CCCC1 527a_100000739158_100000210414 [0,1,0,1,0,0|2,0,0]=4 10104 B12R1.477 CNC(=O)CCCN1CCCC1 2230a_100000188435_100000741757 [0,1,0,1,0,0|1,0,0]=3 10105 B12R1.477 CNC(=O)CCCN1CCCC1 240690a_100102657272_100000743284 [0,1,0,1,0,0|1,0,0]=3 10106 B12R1.477 CNC(=O)CCCN1CCCC1 269982a_100000188435_100000741757 [0,1,0,1,0,0|1,0,0]=3 10107 B12R1.477 CNC(=O)CCCN1CCSC1 2230a_100011215254_100000741757 [0,1,0,1,0,0|2,0,0]=4 10108 B12R1.477 CNC(=O)CCCN1CCSC1 269982a_100011215254_100000741757 [0,1,0,1,0,0|2,0,0]=4 10109 B12R1.477 CNC(=O)CCNC1CCCC1 2230a_100000211070_100000737683 [0,1,0,1,0,0|1,0,0]=3 10110 B12R1.477 CNC(=O)CCNC1CCCC1 2230a_100000738227_100000179811 [0,1,0,1,0,0|1,0,0]=3 10111 B12R1.477 CNC(=O)CCNC1CCCC1 270004a_100000738227_100000210133 [0,1,0,1,0,0|1,0,0]=3 10112 B12R1.477 CNC(=O)CCNC1CCCC1 34a_100000211070_100012179268 [0,1,0,1,0,0|1,0,0]=3 10113 B12R1.477 CNC(=O)CCNC1CCCC1 34a_100000738227_100000179811 [0,1,0,1,0,0|1,0,0]=3 10114 B12R1.477 CNC(=O)CCNC1CCOC1 2230a_100000738227_100000731011 [0,1,0,1,0,0|2,0,0]=4 10115 B12R1.477 CNC(=O)CCNC1CCOC1 270004a_100000738227_100000752484 [0,1,0,1,0,0|2,0,0]=4 10116 B12R1.477 CNC(=O)CCNC1CCOC1 34a_100000738227_100000690089 [0,1,0,1,0,0|2,0,0]=4 10117 B12R1.477 CNC(=O)CCNC1CCSC1 270004a_100000738227_100000212027 [0,1,0,1,0,0|2,0,0]=4 10118 B12R1.477 CNC(=O)CCN[C@@H]1CCOC1 2230a_200015188469_100000737683 [0,1,0,1,0,0|2,0,0]=4 10119 B12R1.477 CNC(=O)CCN[C@H]1CCOC1 2230a_100015188467_100000737683 [0,1,0,1,0,0|2,0,0]=4 10120 B12R1.477 CNC(=O)CCN[C@H]1CCOC1 34a_100015188467_100012179268 [0,1,0,1,0,0|2,0,0]=4 10121 B12R1.477 CNC(=O)CCOC1CCCC1 34a_100000210269_100012179268 [0,1,0,1,0,0|1,0,0]=3 10122 B12R1.477 CNC(=O)CCOC1CCCC1 34a_100000754576_100000179811 [0,1,0,1,0,0|1,0,0]=3 10123 B12R1.477 CNC(=O)CCOC1CCCC1 7a_100000210269_100000737683 [0,1,0,1,0,0|1,0,0]=3 10124 B12R1.477 CNC(=O)CCOC1CCCO1 34a_100000085407_100012179268 [0,1,0,1,0,0|2,0,0]=4 10125 B12R1.477 CNC(=O)CCOC1CCOC1 34a_100000754576_100000690089 [0,1,0,1,0,0|2,0,0]=4 10126 B12R1.477 CNC(=O)CCOC1CCSC1 7a_100011232664_100000737683 [0,1,0,1,0,0|2,0,0]=4 10127 B12R1.477 CNC(=O)CCO[C@H]1CCOC1 34a_100000717292_100012179268 [0,1,0,1,0,0|2,0,0]=4 10128 B12R1.477 CNC(=O)CCSC1CCCC1 62a_100000737683_100000179811 [0,1,0,1,0,0|1,0,0]=3 10129 B12R1.477 CNC(=O)CCSC1CCCC1 62a_100011217020_100000737683 [0,1,0,1,0,0|1,0,0]=3 10130 B12R1.477 CNC(=O)CCSC1CCOC1 62a_100000737683_100000690089 [0,1,0,1,0,0|2,0,0]=4 10131 B12R1.477 CNC(=O)CNCC1CCCC1 2230a_100000693194_100000740388 [0,1,0,1,0,0|1,0,0]=3 10132 B12R1.477 CNC(=O)CNCC1CCCC1 2230a_100000737975_100000183359 [0,1,0,1,0,0|1,0,0]=3 10133 B12R1.477 CNC(=O)CNCC1CCCC1 269862a_100000693194_100000746403 [0,1,0,1,0,0|1,0,0]=3 10134 B12R1.477 CNC(=O)CNCC1CCCC1 34a_100000737975_100000183359 [0,1,0,1,0,0|1,0,0]=3 10135 B12R1.477 CNC(=O)CNCC1CCCO1 2230a_100000693194_100000203698 [0,1,0,1,0,0|2,0,0]=4 10136 B12R1.477 CNC(=O)CNCC1CCOC1 2230a_100000693194_100000702531 [0,1,0,1,0,0|2,0,0]=4 10137 B12R1.477 CNC(=O)CNCC1CCOC1 2230a_100000737293_100000183359 [0,1,0,1,0,0|2,0,0]=4 10138 B12R1.477 CNC(=O)CNCC1CCOC1 34a_100000737293_100000183359 [0,1,0,1,0,0|2,0,0]=4 10139 B12R1.477 CNC(=O)CNC[C@@H]1CCCO1 2230a_100020590478_100000183359 [0,1,0,1,0,0|2,0,0]=4 10140 B12R1.477 CNC(=O)CNC[C@@H]1CCCO1 34a_100020590478_100000183359 [0,1,0,1,0,0|2,0,0]=4 10141 B12R1.477 CNC(=O)COCC1CCCC1 34a_100000742336_100000183359 [0,1,0,1,0,0|1,0,0]=3 10142 B12R1.477 CNC(=O)COCC1CCCC1 34a_100000750040_100000740388 [0,1,0,1,0,0|1,0,0]=3 10143 B12R1.477 CNC(=O)COCC1CCCC1 7a_100000742336_100000183359 [0,1,0,1,0,0|1,0,0]=3 10144 B12R1.477 CNC(=O)COCC1CCCO1 11a_106832991635_100011223388 [0,1,0,1,0,0|2,0,0]=4 10145 B12R1.477 CNC(=O)COCC1CCCO1 1626a_100102657272_100011223388 [0,1,0,1,0,0|2,0,0]=4 10146 B12R1.477 CNC(=O)COCC1CCCO1 240690a_100102657272_100011223388 [0,1,0,1,0,0|2,0,0]=4 10147 B12R1.477 CNC(=O)COCC1CCCO1 34a_100000210270_100000183359 [0,1,0,1,0,0|2,0,0]=4 10148 B12R1.477 CNC(=O)COCC1CCCO1 527a_100102657272_100011223388 [0,1,0,1,0,0|2,0,0]=4 10149 B12R1.477 CNC(=O)COCC1CCCO1 7a_100000210270_100000183359 [0,1,0,1,0,0|2,0,0]=4 10150 B12R1.477 CNC(=O)COCC1CCNC1 34a_100000748654_100000183359 [0,1,0,1,0,0|2,0,0]=4 10151 B12R1.477 CNC(=O)COCC1CCOC1 34a_100000740260_100000183359 [0,1,0,1,0,0|2,0,0]=4 10152 B12R1.477 CNC(=O)COCC1CCOC1 34a_100000750040_100011261433 [0,1,0,1,0,0|2,0,0]=4 10153 B12R1.477 CNC(=O)COC[C@H]1CCCN1 34a_100000745186_100000183359 [0,1,0,1,0,0|2,0,0]=4 10154 B12R1.477 CNC(=O)CSCC1CCCC1 62a_100000183359_100000740388 [0,1,0,1,0,0|1,0,0]=3 10155 B12R1.477 CNC(=O)CSCC1CCCC1 62a_100000740388_100000183359 [0,1,0,1,0,0|1,0,0]=3 10156 B12R1.477 CNC(=O)CSCC1CCCO1 11a_106832991635_100000217298 [0,1,0,1,0,0|2,0,0]=4 10157 B12R1.477 CNC(=O)CSCC1CCCO1 1626a_100102657272_100000217298 [0,1,0,1,0,0|2,0,0]=4 10158 B12R1.477 CNC(=O)CSCC1CCCO1 240690a_100102657272_100000217298 [0,1,0,1,0,0|2,0,0]=4 10159 B12R1.477 CNC(=O)CSCC1CCCO1 527a_100102657272_100000217298 [0,1,0,1,0,0|2,0,0]=4 10160 B12R1.477 CNC(=O)CSCC1CCCO1 62a_100000183359_100000203698 [0,1,0,1,0,0|2,0,0]=4 10161 B12R1.477 CNC(=O)CSCC1CCCO1 62a_100000203698_100000183359 [0,1,0,1,0,0|2,0,0]=4 10162 B12R1.477 CNC(=O)CSCC1CCOC1 62a_100000183359_100000702531 [0,1,0,1,0,0|2,0,0]=4 10163 B12R1.477 CNC(=O)CSCC1CCOC1 62a_100000702531_100000183359 [0,1,0,1,0,0|2,0,0]=4 10164 B12R1.477 CNC(=O)NCCC1CCCC1 2708a_100000739158_106832991635 [0,1,0,1,0,0|1,0,0]=3 10165 B12R1.477 CNC(=O)NCCC1CCCC1 2708a_100102657272_100000739158 [0,1,0,1,0,0|1,0,0]=3 10166 B12R1.477 CNC(=O)NCCC1CCCC1 273464a_100000739158_100102657272 [0,1,0,1,0,0|1,0,0]=3 10167 B12R1.477 CNC(=O)NCCC1CCCC1 273464a_100102657272_100000739158 [0,1,0,1,0,0|1,0,0]=3 10168 B12R1.477 CNC(=O)NCCC1CCCC1 512a_100000739158_100102657272 [0,1,0,1,0,0|1,0,0]=3 10169 B12R1.477 CNC(=O)NCCC1CCCC1 512a_106832991638_100000739158 [0,1,0,1,0,0|1,0,0]=3 10170 B12R1.477 CNC(=O)NCCN1CCCC1 2708a_100102657272_100000212299 [0,1,0,1,0,0|2,0,0]=4 10171 B12R1.477 CNC(=O)NCCN1CCCC1 273464a_100000212299_100102657272 [0,1,0,1,0,0|2,0,0]=4 10172 B12R1.477 CNC(=O)NCCN1CCCC1 273464a_100102657272_100000212299 [0,1,0,1,0,0|2,0,0]=4 10173 B12R1.477 CNC(=O)OCCN1CCCC1 269982a_100000188435_200011997002 [0,1,0,1,0,0|2,0,0]=4 10174 B12R1.477 COC(=O)CCCN1CCCC1 2230a_100000188435_100011218270 [0,1,0,1,0,0|2,0,0]=4 10175 B12R1.477 COC(=O)CCCN1CCCC1 269982a_100000188435_100011218270 [0,1,0,1,0,0|2,0,0]=4 10176 B12R1.477 COC(=O)CCNC1CCCC1 2230a_100000211070_100000204255 [0,1,0,1,0,0|2,0,0]=4 10177 B12R1.477 COC(=O)CCNC1CCCC1 34a_100000211070_100000742370 [0,1,0,1,0,0|2,0,0]=4 10178 B12R1.477 COC(=O)CCOC1CCCC1 34a_100000210269_100000742370 [0,1,0,1,0,0|2,0,0]=4 10179 B12R1.477 COC(=O)CCOC1CCCC1 7a_100000210269_100000204255 [0,1,0,1,0,0|2,0,0]=4 10180 B12R1.477 COC(=O)CCSC1CCCC1 62a_100000204255_100000179811 [0,1,0,1,0,0|2,0,0]=4 10181 B12R1.477 COC(=O)CCSC1CCCC1 62a_100011217020_100000204255 [0,1,0,1,0,0|2,0,0]=4 10182 B12R1.477 COC(=O)CNCC1CCCC1 2230a_100000737975_100000747449 [0,1,0,1,0,0|2,0,0]=4 10183 B12R1.477 COC(=O)CNCC1CCCC1 34a_100000737975_100000747449 [0,1,0,1,0,0|2,0,0]=4 10184 B12R1.477 COC(=O)COCC1CCCC1 34a_100000742336_100000747449 [0,1,0,1,0,0|2,0,0]=4 10185 B12R1.477 COC(=O)COCC1CCCC1 7a_100000742336_100000747449 [0,1,0,1,0,0|2,0,0]=4 10186 B12R1.477 COC(=O)CSCC1CCCC1 62a_100000740388_100000747449 [0,1,0,1,0,0|2,0,0]=4 10187 B12R1.477 COC(=O)CSCC1CCCC1 62a_100000747449_100000740388 [0,1,0,1,0,0|2,0,0]=4 10188 B12R1.477 NC(=NO)CCOC1CCCC1 34a_100000749954_100000179811 [0,1,0,1,0,0|1,0,1]=4 10189 B12R1.477 O=C(CF)CCCN1CCCC1 1458a_100000743284_100015361967 [0,1,0,1,0,0|2,0,0]=4 10190 B12R1.477 O=C(CO)CCCC1CCCC1 1458a_100000210174_100011713738 [0,1,0,1,0,0|1,0,0]=3 10191 B12R1.477 O=C(CO)CCCC1OCCO1 1458a_100000210174_100000042513 [0,1,0,1,0,0|2,0,0]=4 10192 B12R1.477 O=C(CO)CCCN1CCCC1 1458a_100000210174_100011445909 [0,1,0,1,0,0|1,0,0]=3 10193 B12R1.477 O=C(CO)NCCC1CCCC1 240690a_100000739158_100000210174 [0,1,0,1,0,0|1,0,0]=3 10194 B12R1.477 O=C(CO)NCCC1CCCC1 527a_100000739158_100000210174 [0,1,0,1,0,0|1,0,0]=3 10195 B12R1.477 O=C(CO)NCCN1CCCC1 240690a_100000212299_100000210174 [0,1,0,1,0,0|2,0,0]=4 10196 B12R1.1412 CCCCCN1CC1C(=O)OC 2230a_200009830135_100000210326 [0,1,0,1,0,0|2,0,0]=4 10197 B12R1.1659 C=CC(=O)N1CCCCCCC1 1626a_100000211400_100000185746 [0,1,0,1,0,0|2,0,0]=4 10198 B12R1.1659 C=CC(=O)N1CCCCCCC1 240690a_100000211400_200121576911 [0,1,0,1,0,0|2,0,0]=4 10199 B12R1.1659 CCC(=O)N1CCCCCCC1 11a_100000211400_100000210414 [0,1,0,1,0,0|2,0,0]=4 10200 B12R1.1659 CCC(=O)N1CCCCCCC1 1626a_100000211400_100000210414 [0,1,0,1,0,0|2,0,0]=4 10201 B12R1.1659 CCC(=O)N1CCCCCCC1 240690a_100000211400_100000210414 [0,1,0,1,0,0|2,0,0]=4 10202 B12R1.1659 CCC(=O)N1CCCCCCC1 527a_100000211400_100000210414 [0,1,0,1,0,0|2,0,0]=4 10203 B12R1.1659 CNC(=O)N1CCCCCCC1 2708a_100102657272_100000211400 [0,1,0,1,0,0|1,0,0]=3 10204 B12R1.1659 CNC(=O)N1CCCCCCC1 273464a_100102657272_100000211400 [0,1,0,1,0,0|1,0,0]=3 10205 B12R1.1659 O=C(CO)C1CC/C=C\CCC1 1458a_100000210174_100021000466 [0,1,0,1,0,0|1,0,1]=4 10206 B12R1.1659 O=C(CO)N1CCCCCCC1 240690a_100000211400_100000210174 [0,1,0,1,0,0|1,0,0]=3 10207 B12R1.1659 O=C(CO)N1CCCCCCC1 527a_100000211400_100000210174 [0,1,0,1,0,0|1,0,0]=3 10208 B12R1.1748 C#CC(=O)CC1CCCCCC1 1458a_100000211873_200000696569 [0,1,0,1,0,0|2,0,0]=4 10209 B12R1.1748 C=CC(=O)CC1CCCCCC1 1458a_100000185746_200000696569 [0,1,0,1,0,0|2,0,0]=4 10210 B12R1.1748 C=CC(=O)NC1CCCCCC1 1626a_100000210984_100000185746 [0,1,0,1,0,0|2,0,0]=4 10211 B12R1.1748 C=CC(=O)NC1CCCCCC1 240690a_100000210984_200121576911 [0,1,0,1,0,0|2,0,0]=4 10212 B12R1.1748 CCC(=O)CC1CCCCCC1 1458a_100000210414_200000696569 [0,1,0,1,0,0|2,0,0]=4 10213 B12R1.1748 CCC(=O)CC1CCCCCC1 1458a_100000685095_100000210202 [0,1,0,1,0,0|2,0,0]=4 10214 B12R1.1748 CCC(=O)CN1CCCCCC1 1458a_100000740298_100000210202 [0,1,0,1,0,0|2,0,0]=4 10215 B12R1.1748 CCC(=O)CN1CCCCCC1 269982a_100000185865_100000747405 [0,1,0,1,0,0|2,0,0]=4 10216 B12R1.1748 CCC(=O)NC1CCCCCC1 11a_100000210984_100000210414 [0,1,0,1,0,0|2,0,0]=4 10217 B12R1.1748 CCC(=O)NC1CCCCCC1 1626a_100000210984_100000210414 [0,1,0,1,0,0|2,0,0]=4 10218 B12R1.1748 CCC(=O)NC1CCCCCC1 240690a_100000210984_100000210414 [0,1,0,1,0,0|2,0,0]=4 10219 B12R1.1748 CCC(=O)NC1CCCCCC1 527a_100000210984_100000210414 [0,1,0,1,0,0|2,0,0]=4 10220 B12R1.1748 CNC(=O)C=C1CCCCCC1 11a_106832991635_100011240665 [0,1,0,1,0,0|1,0,1]=4 10221 B12R1.1748 CNC(=O)C=C1CCCCCC1 1626a_100102657272_100011240665 [0,1,0,1,0,0|1,0,1]=4 10222 B12R1.1748 CNC(=O)C=C1CCCCCC1 240690a_100102657272_100011240665 [0,1,0,1,0,0|1,0,1]=4 10223 B12R1.1748 CNC(=O)CC1CCCCCC1 11a_106832991635_100000685095 [0,1,0,1,0,0|1,0,0]=3 10224 B12R1.1748 CNC(=O)CC1CCCCCC1 1626a_100102657272_100000685095 [0,1,0,1,0,0|1,0,0]=3 10225 B12R1.1748 CNC(=O)CC1CCCCCC1 240690a_100102657272_100000685095 [0,1,0,1,0,0|1,0,0]=3 10226 B12R1.1748 CNC(=O)CC1CCCCCC1 527a_100102657272_100000685095 [0,1,0,1,0,0|1,0,0]=3 10227 B12R1.1748 CNC(=O)CN1CCCCCC1 11a_106832991635_100000740298 [0,1,0,1,0,0|1,0,0]=3 10228 B12R1.1748 CNC(=O)CN1CCCCCC1 2230a_100000185865_100000183359 [0,1,0,1,0,0|1,0,0]=3 10229 B12R1.1748 CNC(=O)CN1CCCCCC1 240690a_100102657272_100000740298 [0,1,0,1,0,0|1,0,0]=3 10230 B12R1.1748 CNC(=O)CN1CCCCCC1 269982a_100000185865_100000183359 [0,1,0,1,0,0|1,0,0]=3 10231 B12R1.1748 CNC(=O)CN1CCCCCC1 34a_100000185865_100000183359 [0,1,0,1,0,0|1,0,0]=3 10232 B12R1.1748 CNC(=O)CN1CCCCCC1 527a_100102657272_100000740298 [0,1,0,1,0,0|1,0,0]=3 10233 B12R1.1748 CNC(=O)CN1CCCOCC1 2230a_100000685342_100000183359 [0,1,0,1,0,0|2,0,0]=4 10234 B12R1.1748 CNC(=O)CN1CCCOCC1 269982a_100000685342_100000183359 [0,1,0,1,0,0|2,0,0]=4 10235 B12R1.1748 CNC(=O)CN1CCCOCC1 34a_100000685342_100000183359 [0,1,0,1,0,0|2,0,0]=4 10236 B12R1.1748 CNC(=O)NC1CCCCCC1 2708a_100000210984_106832991635 [0,1,0,1,0,0|1,0,0]=3 10237 B12R1.1748 CNC(=O)NC1CCCCCC1 2708a_100102657272_100000210984 [0,1,0,1,0,0|1,0,0]=3 10238 B12R1.1748 CNC(=O)NC1CCCCCC1 273464a_100000210984_100102657272 [0,1,0,1,0,0|1,0,0]=3 10239 B12R1.1748 CNC(=O)NC1CCCCCC1 273464a_100102657272_100000210984 [0,1,0,1,0,0|1,0,0]=3 10240 B12R1.1748 CNC(=O)NC1CCCCCC1 512a_106832991638_100000210984 [0,1,0,1,0,0|1,0,0]=3 10241 B12R1.1748 COC(=O)CN1CCCCCC1 2230a_100000185865_100000747449 [0,1,0,1,0,0|2,0,0]=4 10242 B12R1.1748 COC(=O)CN1CCCCCC1 269982a_100000185865_100000747449 [0,1,0,1,0,0|2,0,0]=4 10243 B12R1.1748 COC(=O)CN1CCCCCC1 34a_100000185865_100000747449 [0,1,0,1,0,0|2,0,0]=4 10244 B12R1.1748 O=C(CF)CC1CCCCCC1 1458a_100000685095_100015361967 [0,1,0,1,0,0|2,0,0]=4 10245 B12R1.1748 O=C(CF)CN1CCCCCC1 1458a_100000740298_100015361967 [0,1,0,1,0,0|2,0,0]=4 10246 B12R1.1748 O=C(CO)CC1CCCCCC1 1458a_100000210174_200000696569 [0,1,0,1,0,0|1,0,0]=3 10247 B12R1.1748 O=C(CO)NC1CCCCCC1 240690a_100000210984_100000210174 [0,1,0,1,0,0|1,0,0]=3 10248 B12R1.1748 O=C(CO)NC1CCCCCC1 527a_100000210984_100000210174 [0,1,0,1,0,0|1,0,0]=3 10249 B12R1.43 C=C(C)C(=O)CC1CCCCC1 1458a_100000185857_100000211423 [0,1,0,1,0,0|2,0,0]=4 10250 B12R1.43 CC(C)C(=O)CC1CCCCC1 1458a_100000210198_100000211423 [0,1,0,1,0,0|2,0,0]=4 10251 B12R1.43 CC(C)C(=O)CC1CCCCC1 1458a_100000211666_100000210206 [0,1,0,1,0,0|2,0,0]=4 10252 B12R1.43 CC(F)C(=O)CC1CCCCC1 1458a_100000062450_100000211423 [0,1,0,1,0,0|2,0,0]=4 10253 B12R1.43 CN(C)C(=O)CC1CCCCC1 11a_100102631434_100000211666 [0,1,0,1,0,0|1,0,0]=3 10254 B12R1.43 CN(C)C(=O)CC1CCCCC1 1626a_100102631434_100000211666 [0,1,0,1,0,0|1,0,0]=3 10255 B12R1.43 CN(C)C(=O)CC1CCCCC1 240690a_100102631434_100000211666 [0,1,0,1,0,0|1,0,0]=3 10256 B12R1.43 CN(C)C(=O)CC1CCCCC1 527a_100102631434_100000211666 [0,1,0,1,0,0|1,0,0]=3 10257 B12R1.43 CN(C)C(=O)CC1CCCCO1 11a_100102631434_100000238585 [0,1,0,1,0,0|2,0,0]=4 10258 B12R1.43 CN(C)C(=O)CC1CCCCO1 1626a_100102631434_100000238585 [0,1,0,1,0,0|2,0,0]=4 10259 B12R1.43 CN(C)C(=O)CC1CCCCO1 240690a_100102631434_100000238585 [0,1,0,1,0,0|2,0,0]=4 10260 B12R1.43 CN(C)C(=O)CC1CCCCO1 527a_100102631434_100000238585 [0,1,0,1,0,0|2,0,0]=4 10261 B12R1.43 CN(C)C(=O)CC1CCCOC1 11a_100102631434_100000741523 [0,1,0,1,0,0|2,0,0]=4 10262 B12R1.43 CN(C)C(=O)CC1CCCOC1 1626a_100102631434_100000741523 [0,1,0,1,0,0|2,0,0]=4 10263 B12R1.43 CN(C)C(=O)CC1CCCOC1 240690a_100102631434_100000741523 [0,1,0,1,0,0|2,0,0]=4 10264 B12R1.43 CN(C)C(=O)CC1CCCOC1 527a_100102631434_100000741523 [0,1,0,1,0,0|2,0,0]=4 10265 B12R1.43 CN(C)C(=O)CC1CCOCC1 11a_100102631434_100000757261 [0,1,0,1,0,0|2,0,0]=4 10266 B12R1.43 CN(C)C(=O)CC1CCOCC1 1626a_100102631434_100000757261 [0,1,0,1,0,0|2,0,0]=4 10267 B12R1.43 CN(C)C(=O)CC1CCOCC1 240690a_100102631434_100000757261 [0,1,0,1,0,0|2,0,0]=4 10268 B12R1.43 CN(C)C(=O)CC1CCOCC1 527a_100102631434_100000757261 [0,1,0,1,0,0|2,0,0]=4 10269 B12R1.43 CN(C)C(=O)CN1CCCCC1 11a_100102631434_100000740322 [0,1,0,1,0,0|2,0,0]=4 10270 B12R1.43 CN(C)C(=O)CN1CCCCC1 240690a_100102631434_100000740322 [0,1,0,1,0,0|2,0,0]=4 10271 B12R1.43 CN(C)C(=O)CN1CCCCC1 527a_100102631434_100000740322 [0,1,0,1,0,0|2,0,0]=4 10272 B12R1.43 CN(C)C(=O)NC1CCCCC1 2708a_100000182618_100102631434 [0,1,0,1,0,0|2,0,0]=4 10273 B12R1.43 C[C@@H](O)C(=O)CC1CCCCC1 1458a_100000717761_100000211423 [0,1,0,1,0,0|1,0,0]=3 10274 B12R1.43 C[C@@H](O)C(=O)CC1CCCCO1 1458a_100000717761_100000211543 [0,1,0,1,0,0|2,0,0]=4 10275 B12R1.43 C[C@@H](O)C(=O)CC1CCCOC1 1458a_100000717761_100000741521 [0,1,0,1,0,0|2,0,0]=4 10276 B12R1.43 C[C@@H](O)C(=O)CC1CCOCC1 1458a_100000717761_100000754603 [0,1,0,1,0,0|2,0,0]=4 10277 B12R1.43 C[C@@H](O)C(=O)NC1CCCCC1 240690a_100000182618_100000717761 [0,1,0,1,0,0|2,0,0]=4 10278 B12R1.43 C[C@H](O)C(=O)CC1CCCCC1 1458a_217856618621_100000211423 [0,1,0,1,0,0|1,0,0]=3 10279 B12R1.43 C[C@H](O)C(=O)CC1CCCCO1 1458a_217856618621_100000211543 [0,1,0,1,0,0|2,0,0]=4 10280 B12R1.43 C[C@H](O)C(=O)CC1CCCOC1 1458a_217856618621_100000741521 [0,1,0,1,0,0|2,0,0]=4 10281 B12R1.43 C[C@H](O)C(=O)CC1CCOCC1 1458a_217856618621_100000754603 [0,1,0,1,0,0|2,0,0]=4 10282 B12R1.43 C[C@H](O)C(=O)NC1CCCCC1 1626a_100000182618_217856618621 [0,1,0,1,0,0|2,0,0]=4 10283 B12R1.43 C[C@H](O)C(=O)NC1CCCCC1 240690a_100000182618_217856618621 [0,1,0,1,0,0|2,0,0]=4 10284 B12R1.43 O=C(CC1CCCCC1)C(O)O 1458a_100000233687_100000211423 [0,1,0,1,0,0|1,0,0]=3 10285 B12R1.43 O=C(CC1CCCCO1)C(O)O 1458a_100000233687_100000211543 [0,1,0,1,0,0|2,0,0]=4 10286 B12R1.43 O=C(CC1CCCOC1)C(O)O 1458a_100000233687_100000741521 [0,1,0,1,0,0|2,0,0]=4 10287 B12R1.43 O=C(CC1CCOCC1)C(O)O 1458a_100000233687_100000754603 [0,1,0,1,0,0|2,0,0]=4 10288 B12R1.43 O=C(NC1CCCCC1)C(O)O 240690a_100000182618_100000233687 [0,1,0,1,0,0|2,0,0]=4 10289 B12R1.80 CCC1CCCN1C(=O)C(O)O 240690a_100000754278_100000233687 [0,1,0,1,0,0|2,0,0]=4 10290 B12R1.80 CCC1CCCN1C(=O)[C@@H](C)O 240690a_100000754278_100000717761 [0,1,0,1,0,0|2,0,0]=4 10291 B12R1.80 CCC1CCCN1C(=O)[C@H](C)O 1626a_100000754278_217856618621 [0,1,0,1,0,0|2,0,0]=4 10292 B12R1.80 CCC1CCCN1C(=O)[C@H](C)O 240690a_100000754278_217856618621 [0,1,0,1,0,0|2,0,0]=4 10293 B12R1.80 CCN1CCCC1C(=O)N(C)C 240690a_100102631434_106256033941 [0,1,0,1,0,0|2,0,0]=4 10294 B12R1.80 CCN1CCCC1C(=O)N(C)C 527a_100102631434_106256033941 [0,1,0,1,0,0|2,0,0]=4 10295 B12R1.80 CCN1CCC[C@H]1C(=O)N(C)C 2230a_100020603401_100000210202 [0,1,0,1,0,0|2,0,0]=4 10296 B12R1.80 CCN1CCC[C@H]1C(=O)N(C)C 34a_100020603401_100000210202 [0,1,0,1,0,0|2,0,0]=4 10297 B12R1.124 CC(C)C(=O)C1CCCCC1C 1458a_100011215568_100000210206 [0,1,0,1,0,0|2,0,0]=4 10298 B12R1.124 CC1CCCCC1C(=O)N(C)C 11a_100102631434_100011215568 [0,1,0,1,0,0|1,0,0]=3 10299 B12R1.124 CC1CCCCC1C(=O)N(C)C 1626a_100102631434_100011215568 [0,1,0,1,0,0|1,0,0]=3 10300 B12R1.124 CC1CCCCC1C(=O)N(C)C 240690a_100102631434_100011215568 [0,1,0,1,0,0|1,0,0]=3 10301 B12R1.124 CC1CCCCC1C(=O)N(C)C 527a_100102631434_100011215568 [0,1,0,1,0,0|1,0,0]=3 10302 B12R1.124 CC1CCCCN1C(=O)C(O)O 240690a_100000211376_100000233687 [0,1,0,1,0,0|2,0,0]=4 10303 B12R1.124 CC1CCCCN1C(=O)[C@@H](C)O 240690a_100000211376_100000717761 [0,1,0,1,0,0|2,0,0]=4 10304 B12R1.124 CC1CCCCN1C(=O)[C@H](C)O 1626a_100000211376_217856618621 [0,1,0,1,0,0|2,0,0]=4 10305 B12R1.124 CC1CCCCN1C(=O)[C@H](C)O 240690a_100000211376_217856618621 [0,1,0,1,0,0|2,0,0]=4 10306 B12R1.124 CN(C)C(=O)[C@H]1CCCCN1C 11a_100102631434_100000767060 [0,1,0,1,0,0|2,0,0]=4 10307 B12R1.124 CN(C)C(=O)[C@H]1CCCCN1C 1626a_100102631434_100000767060 [0,1,0,1,0,0|2,0,0]=4 10308 B12R1.124 CN(C)C(=O)[C@H]1CCCCN1C 240690a_100102631434_100000767060 [0,1,0,1,0,0|2,0,0]=4 10309 B12R1.124 CN(C)C(=O)[C@H]1CCCCN1C 527a_100102631434_100000767060 [0,1,0,1,0,0|2,0,0]=4 10310 B12R1.145 C[C@@H]1CCCN1CC(=O)N(C)C 2230a_100015189458_100000185267 [0,1,0,1,0,0|2,0,0]=4 10311 B12R1.145 C[C@@H]1CCCN1CC(=O)N(C)C 269982a_100015189458_100000185267 [0,1,0,1,0,0|2,0,0]=4 10312 B12R1.145 C[C@@H]1CCCN1CC(=O)N(C)C 34a_100015189458_100000692301 [0,1,0,1,0,0|2,0,0]=4 10313 B12R1.145 C[C@H]1CCCN1CC(=O)N(C)C 2230a_100020605311_100000185267 [0,1,0,1,0,0|2,0,0]=4 10314 B12R1.145 C[C@H]1CCCN1CC(=O)N(C)C 269982a_100020605311_100000185267 [0,1,0,1,0,0|2,0,0]=4 10315 B12R1.214 CC1CC1COCC(=O)N(C)C 34a_100000744939_100000692301 [0,1,0,1,0,0|2,0,0]=4 10316 B12R1.214 CC1CC1COCC(=O)N(C)C 7a_100000744939_100000692301 [0,1,0,1,0,0|2,0,0]=4 10317 B12R1.231 CC1CCN1CCC(=O)N(C)C 269982a_100000755817_100000737620 [0,1,0,1,0,0|2,0,0]=4 10318 B12R1.264 C=C(C)C(=O)CCC1CCCC1 1458a_100000185857_100000760354 [0,1,0,1,0,0|2,0,0]=4 10319 B12R1.264 CC(C)C(=O)CCC1CCCC1 1458a_100000210198_100000760354 [0,1,0,1,0,0|2,0,0]=4 10320 B12R1.264 CC(C)C(=O)CCC1CCCC1 1458a_100000211120_100000210206 [0,1,0,1,0,0|2,0,0]=4 10321 B12R1.264 CC(F)C(=O)CCC1CCCC1 1458a_100000062450_100000760354 [0,1,0,1,0,0|2,0,0]=4 10322 B12R1.264 CN(C)C(=O)CCC1CCCC1 11a_100102631434_100000211120 [0,1,0,1,0,0|1,0,0]=3 10323 B12R1.264 CN(C)C(=O)CCC1CCCC1 1626a_100102631434_100000211120 [0,1,0,1,0,0|1,0,0]=3 10324 B12R1.264 CN(C)C(=O)CCC1CCCC1 240690a_100102631434_100000211120 [0,1,0,1,0,0|1,0,0]=3 10325 B12R1.264 CN(C)C(=O)CCC1CCCC1 527a_100102631434_100000211120 [0,1,0,1,0,0|1,0,0]=3 10326 B12R1.264 CN(C)C(=O)CCC1CCCO1 11a_100102631434_100011247709 [0,1,0,1,0,0|2,0,0]=4 10327 B12R1.264 CN(C)C(=O)CCC1CCCO1 1626a_100102631434_100011247709 [0,1,0,1,0,0|2,0,0]=4 10328 B12R1.264 CN(C)C(=O)CCC1CCCO1 240690a_100102631434_100011247709 [0,1,0,1,0,0|2,0,0]=4 10329 B12R1.264 CN(C)C(=O)CCC1CCCO1 527a_100102631434_100011247709 [0,1,0,1,0,0|2,0,0]=4 10330 B12R1.264 CN(C)C(=O)CCN1CCCC1 2230a_100000188435_100000737620 [0,1,0,1,0,0|2,0,0]=4 10331 B12R1.264 CN(C)C(=O)CCN1CCCC1 240690a_100102631434_100000738983 [0,1,0,1,0,0|2,0,0]=4 10332 B12R1.264 CN(C)C(=O)CCN1CCCC1 269982a_100000188435_100000737620 [0,1,0,1,0,0|2,0,0]=4 10333 B12R1.264 CN(C)C(=O)CNC1CCCC1 2230a_100000211070_100000185267 [0,1,0,1,0,0|2,0,0]=4 10334 B12R1.264 CN(C)C(=O)CNC1CCCC1 2230a_100015183351_100000179811 [0,1,0,1,0,0|2,0,0]=4 10335 B12R1.264 CN(C)C(=O)CNC1CCCC1 270004a_100015183351_100000210133 [0,1,0,1,0,0|2,0,0]=4 10336 B12R1.264 CN(C)C(=O)CNC1CCCC1 34a_100000211070_100000692301 [0,1,0,1,0,0|2,0,0]=4 10337 B12R1.264 CN(C)C(=O)COC1CCCC1 11a_100102631434_100000741352 [0,1,0,1,0,0|2,0,0]=4 10338 B12R1.264 CN(C)C(=O)COC1CCCC1 1626a_100102631434_100000741352 [0,1,0,1,0,0|2,0,0]=4 10339 B12R1.264 CN(C)C(=O)COC1CCCC1 240690a_100102631434_100000741352 [0,1,0,1,0,0|2,0,0]=4 10340 B12R1.264 CN(C)C(=O)COC1CCCC1 34a_100000210269_100000692301 [0,1,0,1,0,0|2,0,0]=4 10341 B12R1.264 CN(C)C(=O)COC1CCCC1 527a_100102631434_100000741352 [0,1,0,1,0,0|2,0,0]=4 10342 B12R1.264 CN(C)C(=O)COC1CCCC1 7a_100000210269_100000692301 [0,1,0,1,0,0|2,0,0]=4 10343 B12R1.264 CN(C)C(=O)CSC1CCCC1 62a_100000692301_100000179811 [0,1,0,1,0,0|2,0,0]=4 10344 B12R1.264 CN(C)C(=O)CSC1CCCC1 62a_100011217020_100000692301 [0,1,0,1,0,0|2,0,0]=4 10345 B12R1.264 CN(C)C(=O)NCC1CCCC1 2708a_100000737975_100102631434 [0,1,0,1,0,0|2,0,0]=4 10346 B12R1.264 C[C@@H](O)C(=O)CCC1CCCC1 1458a_100000717761_100000760354 [0,1,0,1,0,0|1,0,0]=3 10347 B12R1.264 C[C@@H](O)C(=O)CCN1CCCC1 1458a_100000717761_100000004467 [0,1,0,1,0,0|2,0,0]=4 10348 B12R1.264 C[C@@H](O)C(=O)NCC1CCCC1 240690a_100000737975_100000717761 [0,1,0,1,0,0|2,0,0]=4 10349 B12R1.264 C[C@H](O)C(=O)CCC1CCCC1 1458a_217856618621_100000760354 [0,1,0,1,0,0|1,0,0]=3 10350 B12R1.264 C[C@H](O)C(=O)CCN1CCCC1 1458a_217856618621_100000004467 [0,1,0,1,0,0|2,0,0]=4 10351 B12R1.264 C[C@H](O)C(=O)NCC1CCCC1 1626a_100000737975_217856618621 [0,1,0,1,0,0|2,0,0]=4 10352 B12R1.264 C[C@H](O)C(=O)NCC1CCCC1 240690a_100000737975_217856618621 [0,1,0,1,0,0|2,0,0]=4 10353 B12R1.264 O=C(CCC1CCCC1)C(O)O 1458a_100000233687_100000760354 [0,1,0,1,0,0|1,0,0]=3 10354 B12R1.264 O=C(CCN1CCCC1)C(O)O 1458a_100000233687_100000004467 [0,1,0,1,0,0|2,0,0]=4 10355 B12R1.264 O=C(NCC1CCCC1)C(O)O 240690a_100000737975_100000233687 [0,1,0,1,0,0|2,0,0]=4 10356 B12R1.385 CCCNC1CCC(=O)N(C1)C 2230a_100011935005_100000210303 [0,1,0,1,0,0|2,0,0]=4 10357 B12R1.385 CCCNC1CCC(=O)N(C1)C 34a_100011935005_100000210303 [0,1,0,1,0,0|2,0,0]=4 10358 B12R1.457 CCCCNC1CC(=O)N(C1)C 2230a_100000748898_100000210211 [0,1,0,1,0,0|2,0,0]=4 10359 B12R1.457 CCCCNC1CC(=O)N(C1)C 34a_100000748898_100000210210 [0,1,0,1,0,0|2,0,0]=4 10360 B12R1.457 CCCOCC1CC(=O)N(C1)C 34a_100015185614_100000210303 [0,1,0,1,0,0|2,0,0]=4 10361 B12R1.1396 CN(C)C(=O)CCCN1CCC1 269982a_100000754969_100000737642 [0,1,0,1,0,0|2,0,0]=4 10362 B12R1.1396 CN(C)C(=O)CCNC1CCC1 2230a_100000749019_100000737620 [0,1,0,1,0,0|2,0,0]=4 10363 B12R1.1396 CN(C)C(=O)CCNC1CCC1 270004a_100000738053_100000241760 [0,1,0,1,0,0|2,0,0]=4 10364 B12R1.1396 CN(C)C(=O)CCOC1CCC1 34a_200000747469_100000749161 [0,1,0,1,0,0|2,0,0]=4 10365 B12R1.1396 CN(C)C(=O)CCSC1CCC1 62a_100000737620_100000749161 [0,1,0,1,0,0|2,0,0]=4 10366 B12R1.1396 CN(C)C(=O)CNCC1CCC1 2230a_100000738700_100000185267 [0,1,0,1,0,0|2,0,0]=4 10367 B12R1.1396 CN(C)C(=O)CNCC1CCC1 2230a_100015183351_100000763275 [0,1,0,1,0,0|2,0,0]=4 10368 B12R1.1396 CN(C)C(=O)CNCC1CCC1 34a_100000738700_100000692301 [0,1,0,1,0,0|2,0,0]=4 10369 B12R1.1396 CN(C)C(=O)COCC1CCC1 34a_100000760304_100000692301 [0,1,0,1,0,0|2,0,0]=4 10370 B12R1.1396 CN(C)C(=O)CSCC1CCC1 62a_100000692301_100000763275 [0,1,0,1,0,0|2,0,0]=4 10371 B12R1.1396 CN(C)C(=O)CSCC1CCC1 62a_100000763275_100000692301 [0,1,0,1,0,0|2,0,0]=4 10372 B12R1.1397 CN(C)C(=O)CCCSC1CC1 62a_100000737642_100000211595 [0,1,0,1,0,0|2,0,0]=4 10373 B12R1.1397 CN(C)C(=O)CCNCC1CC1 2230a_100000735609_100000737620 [0,1,0,1,0,0|2,0,0]=4 10374 B12R1.1397 CN(C)C(=O)CCNCC1CC1 2230a_100000738053_100000742324 [0,1,0,1,0,0|2,0,0]=4 10375 B12R1.1397 CN(C)C(=O)CCNCC1CC1 269862a_100000738053_100000741477 [0,1,0,1,0,0|2,0,0]=4 10376 B12R1.1397 CN(C)C(=O)CCOCC1CC1 34a_200000747469_100000742324 [0,1,0,1,0,0|2,0,0]=4 10377 B12R1.1397 CN(C)C(=O)CCSCC1CC1 62a_100000737620_100000742324 [0,1,0,1,0,0|2,0,0]=4 10378 B12R1.1397 CN(C)C(=O)CCSCC1CC1 62a_100000756562_100000737620 [0,1,0,1,0,0|2,0,0]=4 10379 B12R1.1397 CN(C)C(=O)CNCCC1CC1 2230a_100015183351_100000694398 [0,1,0,1,0,0|2,0,0]=4 10380 B12R1.1397 CN(C)C(=O)CNCCC1CC1 34a_100000764129_100000692301 [0,1,0,1,0,0|2,0,0]=4 10381 B12R1.1397 CN(C)C(=O)COCCC1CC1 34a_100000754188_100000692301 [0,1,0,1,0,0|2,0,0]=4 10382 B12R1.1397 CN(C)C(=O)COCCC1CC1 7a_100000754188_100000692301 [0,1,0,1,0,0|2,0,0]=4 10383 B12R1.1397 CN(C)C(=O)CSCCC1CC1 62a_100000692301_100000764125 [0,1,0,1,0,0|2,0,0]=4 10384 B12R1.1397 CN(C)C(=O)CSCCC1CC1 62a_100000764125_100000692301 [0,1,0,1,0,0|2,0,0]=4 10385 B12R1.2197 C=C(C)C(=O)C1CCCCCC1 1458a_100000185857_100011217769 [0,1,0,1,0,0|2,0,0]=4 10386 B12R1.2197 CC(C)C(=O)C1CCCCCC1 1458a_100000210198_100011217769 [0,1,0,1,0,0|2,0,0]=4 10387 B12R1.2197 CC(C)C(=O)C1CCCCCC1 1458a_100000749507_100000210206 [0,1,0,1,0,0|2,0,0]=4 10388 B12R1.2197 CC(F)C(=O)C1CCCCCC1 1458a_100000062450_100011217769 [0,1,0,1,0,0|2,0,0]=4 10389 B12R1.2197 CN(C)C(=O)C1CCCCCC1 11a_100102631434_100000749507 [0,1,0,1,0,0|1,0,0]=3 10390 B12R1.2197 CN(C)C(=O)C1CCCCCC1 1626a_100102631434_100000749507 [0,1,0,1,0,0|1,0,0]=3 10391 B12R1.2197 CN(C)C(=O)C1CCCCCC1 240690a_100102631434_100000749507 [0,1,0,1,0,0|1,0,0]=3 10392 B12R1.2197 CN(C)C(=O)C1CCCCCC1 527a_100102631434_100000749507 [0,1,0,1,0,0|1,0,0]=3 10393 B12R1.2197 C[C@@H](O)C(=O)C1CCCCCC1 1458a_100000717761_100011217769 [0,1,0,1,0,0|1,0,0]=3 10394 B12R1.2197 C[C@@H](O)C(=O)N1CCCCCC1 240690a_100000185865_100000717761 [0,1,0,1,0,0|2,0,0]=4 10395 B12R1.2197 C[C@H](O)C(=O)C1CCCCCC1 1458a_217856618621_100011217769 [0,1,0,1,0,0|1,0,0]=3 10396 B12R1.2197 C[C@H](O)C(=O)N1CCCCCC1 1626a_100000185865_217856618621 [0,1,0,1,0,0|2,0,0]=4 10397 B12R1.2197 C[C@H](O)C(=O)N1CCCCCC1 240690a_100000185865_217856618621 [0,1,0,1,0,0|2,0,0]=4 10398 B12R1.2197 O=C(C(O)O)C1CCCCCC1 1458a_100000233687_100011217769 [0,1,0,1,0,0|1,0,0]=3 10399 B12R1.2197 O=C(C(O)O)N1CCCCCC1 240690a_100000185865_100000233687 [0,1,0,1,0,0|2,0,0]=4 10400 B12R1.26 CCC(C)CNC1CNC(=O)C1 2230a_100000697751_100000748023 [0,1,0,1,0,0|2,0,0]=4 10401 B12R1.26 CCC(C)COC1CNC(=O)C1 34a_100000690082_100000748023 [0,1,0,1,0,0|2,0,0]=4 10402 B12R1.26 CCC(C)NCC1CNC(=O)C1 2230a_100016993742_100000758301 [0,1,0,1,0,0|2,0,0]=4 10403 B12R1.26 CCC(C)NCC1CNC(=O)C1 34a_100016993742_100011215416 [0,1,0,1,0,0|2,0,0]=4 10404 B12R1.26 CCC(C)OCC1CNC(=O)C1 34a_100016041077_100011215416 [0,1,0,1,0,0|2,0,0]=4 10405 B12R1.26 CCC(O)CNC1CNC(=O)C1 2230a_100000697751_100011218378 [0,1,0,1,0,0|2,0,0]=4 10406 B12R1.26 CCC(O)COC1CNC(=O)C1 34a_100000690082_100011218378 [0,1,0,1,0,0|2,0,0]=4 10407 B12R1.26 CC[C@H](C)CNC1CNC(=O)C1 2230a_100000697751_100009816398 [0,1,0,1,0,0|2,0,0]=4 10408 B12R1.26 CC[C@H](C)COC1CNC(=O)C1 34a_100000690082_100009816398 [0,1,0,1,0,0|2,0,0]=4 10409 B12R1.26 CNC(=O)CCN1CCC(C1)O 2230a_100011215560_100000737683 [0,1,0,1,0,0|2,0,0]=4 10410 B12R1.26 CNC(=O)CCN1CCC(C1)O 269982a_100011215560_100000737683 [0,1,0,1,0,0|2,0,0]=4 10411 B12R1.26 CNC(=O)CCN1CC[C@@H](C1)F 2230a_100015203821_100000737683 [0,1,0,1,0,0|2,0,0]=4 10412 B12R1.26 CNC(=O)CCN1CC[C@@H](C1)F 269982a_100015203821_100000737683 [0,1,0,1,0,0|2,0,0]=4 10413 B12R1.26 CNC(=O)CCN1CC[C@@H](C1)F 34a_100015203821_100012179268 [0,1,0,1,0,0|2,0,0]=4 10414 B12R1.26 CNC(=O)CCN1CC[C@H](C1)C 2230a_100016987628_100000737683 [0,1,0,1,0,0|2,0,0]=4 10415 B12R1.26 CNC(=O)CCN1CC[C@H](C1)C 269982a_100016987628_100000737683 [0,1,0,1,0,0|2,0,0]=4 10416 B12R1.26 CNC(=O)CCN1CC[C@H](C1)C 34a_100016987628_100012179268 [0,1,0,1,0,0|2,0,0]=4 10417 B12R1.26 CNC(=O)CNC1CCC(C1)C 270004a_100000693194_100011215218 [0,1,0,1,0,0|2,0,0]=4 10418 B12R1.26 CNC(=O)CNC1CCC(C1)O 270004a_100000693194_100012614533 [0,1,0,1,0,0|2,0,0]=4 10419 B12R1.26 CNC(=O)CN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000183359 [0,1,0,1,0,0|2,0,0]=4 10420 B12R1.26 CNC(=O)COC1CCC(C1)C 34a_100000698185_100000183359 [0,1,0,1,0,0|2,0,0]=4 10421 B12R1.29 CCCCC(=O)C1CNC(=O)C1 1458a_100000747279_100000210211 [0,1,0,1,0,0|1,0,1]=4 10422 B12R1.29 CCCCC(C)N1CNC(=O)C1 2230a_200000708111_200011215066 [0,1,0,1,0,0|2,0,0]=4 10423 B12R1.334 CCCCN1CC(C1)C(=O)NC 34a_100000703363_100000210210 [0,1,0,1,0,0|2,0,0]=4 10424 B12R1.431 CCC1CN(C1)CCC(=O)NC 2230a_100015205115_100000737683 [0,1,0,1,0,0|2,0,0]=4 10425 B12R1.431 CCC1CN(C1)CCC(=O)NC 269982a_100015205115_100000737683 [0,1,0,1,0,0|2,0,0]=4 10426 B12R1.908 CNC(=O)CCC(=O)C1CCC1 1458a_100011309844_100000749161 [0,1,0,1,0,0|1,0,1]=4 10427 B12R1.908 CNC(=O)CCN(C)C1CCC1 2230a_100000758072_100000737683 [0,1,0,1,0,0|2,0,0]=4 10428 B12R1.908 CNC(=O)CCN(C)C1CCC1 269982a_100000750875_100000749161 [0,1,0,1,0,0|2,0,0]=4 10429 B12R1.908 CNC(=O)CCN(C)C1CCC1 269982a_100000758072_100000737683 [0,1,0,1,0,0|2,0,0]=4 10430 B12R1.908 CNC(=O)CCN(C)C1CCC1 270004a_100000750875_100000241760 [0,1,0,1,0,0|2,0,0]=4 10431 B12R1.908 CNC(=O)CCN(C)C1CCC1 34a_100000758072_100012179268 [0,1,0,1,0,0|2,0,0]=4 10432 B12R1.908 CNC(=O)CNC(C)C1CCC1 2230a_100016994624_100000183359 [0,1,0,1,0,0|2,0,0]=4 10433 B12R1.908 CNC(=O)CNC(C)C1CCC1 269862a_100000693194_100000760154 [0,1,0,1,0,0|2,0,0]=4 10434 B12R1.908 CNC(=O)CNC(C)C1CCC1 34a_100016994624_100000183359 [0,1,0,1,0,0|2,0,0]=4 10435 B12R1.908 CNC(=O)COC(C)C1CCC1 34a_100000766398_100000183359 [0,1,0,1,0,0|2,0,0]=4 10436 B12R1.908 CNC(=O)COC(C)C1CCC1 7a_100000766398_100000183359 [0,1,0,1,0,0|2,0,0]=4 10437 B12R1.910 CNC(=O)CCC(=O)CC1CC1 1458a_100011309844_100000742324 [0,1,0,1,0,0|1,0,1]=4 10438 B12R1.910 CNC(=O)CCN(C)CC1CC1 2230a_100000741881_100000737683 [0,1,0,1,0,0|2,0,0]=4 10439 B12R1.910 CNC(=O)CCN(C)CC1CC1 2230a_100000750875_100000742324 [0,1,0,1,0,0|2,0,0]=4 10440 B12R1.910 CNC(=O)CCN(C)CC1CC1 269982a_100000741881_100000737683 [0,1,0,1,0,0|2,0,0]=4 10441 B12R1.910 CNC(=O)CCN(C)CC1CC1 269982a_100000750875_100000756562 [0,1,0,1,0,0|2,0,0]=4 10442 B12R1.910 CNC(=O)CNC(C)CC1CC1 270004a_100000693194_200000686933 [0,1,0,1,0,0|2,0,0]=4 10443 B12R1.1657 CNC(=O)N1CCCCC(C1)O 2708a_100102657272_100025706797 [0,1,0,1,0,0|2,0,0]=4 10444 B12R1.1657 CNC(=O)N1CCCCC(C1)O 273464a_100102657272_100025706797 [0,1,0,1,0,0|2,0,0]=4 10445 B12R1.1657 O=C(CO)N1CCCCC(C1)O 240690a_100025706797_100000210174 [0,1,0,1,0,0|2,0,0]=4 10446 B12R1.1677 CNC(=O)COC1(CCCC1)C 34a_100000751722_100000183359 [0,1,0,1,0,0|2,0,0]=4 10447 B12R1.1677 CNC(=O)COC1(CCCC1)C 7a_100000751722_100000183359 [0,1,0,1,0,0|2,0,0]=4 10448 B12R1.1677 CNC(=O)NCC1(CCCC1)O 2708a_100000737848_106832991635 [0,1,0,1,0,0|2,0,0]=4 10449 B12R1.1677 CNC(=O)NCC1(CCCC1)O 2708a_100102657272_100000737848 [0,1,0,1,0,0|2,0,0]=4 10450 B12R1.1677 CNC(=O)NCC1(CCCC1)O 273464a_100102657272_100000737848 [0,1,0,1,0,0|2,0,0]=4 10451 B12R1.1677 CNC(=O)NCC1(CCCC1)O 512a_100000737848_100102657272 [0,1,0,1,0,0|2,0,0]=4 10452 B12R1.1677 CNC(=O)NCC1(CCCC1)O 512a_106832991638_100000737848 [0,1,0,1,0,0|2,0,0]=4 10453 B12R1.1677 O=C(CO)NCC1(CCCC1)O 240690a_100000737848_100000210174 [0,1,0,1,0,0|2,0,0]=4 10454 B12R1.1677 O=C(CO)NCC1(CCCC1)O 527a_100000737848_100000210174 [0,1,0,1,0,0|2,0,0]=4 10455 B12R1.2217 CNC(=O)CN1C(CCC1C)C 2230a_100000687148_100000183359 [0,1,0,1,0,0|2,0,0]=4 10456 B12R1.2217 CNC(=O)CN1C(CCC1C)C 269982a_100000687148_100000183359 [0,1,0,1,0,0|2,0,0]=4 10457 B12R1.2217 CNC(=O)CN1C(CCC1C)C 34a_100000687148_100000183359 [0,1,0,1,0,0|2,0,0]=4 10458 B12R1.49 CC1CCC(CC1)CC(=O)CF 1458a_100011215564_100015361967 [0,1,0,1,0,0|2,0,0]=4 10459 B12R1.49 CCC(=O)CC1CCC(CC1)C 1458a_100011215564_100000210202 [0,1,0,1,0,0|2,0,0]=4 10460 B12R1.49 CCC(=O)CC1CCC(CC1)O 1458a_100012184027_100000210202 [0,1,0,1,0,0|2,0,0]=4 10461 B12R1.49 CCC(C)NC1CCC(=O)NC1 2230a_100000748762_100000758301 [0,1,0,1,0,0|2,0,0]=4 10462 B12R1.49 CCC(C)NC1CCC(=O)NC1 34a_100000748762_100011215416 [0,1,0,1,0,0|2,0,0]=4 10463 B12R1.49 CCC(C)OC1CCC(=O)NC1 34a_100000079199_100011215416 [0,1,0,1,0,0|2,0,0]=4 10464 B12R1.49 CNC(=O)CC1CCC(CC1)C 11a_106832991635_100011215564 [0,1,0,1,0,0|1,0,0]=3 10465 B12R1.49 CNC(=O)CC1CCC(CC1)C 1626a_100102657272_100011215564 [0,1,0,1,0,0|1,0,0]=3 10466 B12R1.49 CNC(=O)CC1CCC(CC1)C 240690a_100102657272_100011215564 [0,1,0,1,0,0|1,0,0]=3 10467 B12R1.49 CNC(=O)CC1CCC(CC1)C 527a_100102657272_100011215564 [0,1,0,1,0,0|1,0,0]=3 10468 B12R1.49 CNC(=O)CC1CCC(CC1)O 1626a_100102657272_100012184027 [0,1,0,1,0,0|1,0,0]=3 10469 B12R1.49 CNC(=O)CC1CCC(CC1)O 240690a_100102657272_100012184027 [0,1,0,1,0,0|1,0,0]=3 10470 B12R1.49 CNC(=O)CC1CCC(CC1)O 527a_100102657272_100012184027 [0,1,0,1,0,0|1,0,0]=3 10471 B12R1.49 CNC(=O)CC1CCN(CC1)C 11a_106832991635_100000700355 [0,1,0,1,0,0|2,0,0]=4 10472 B12R1.49 CNC(=O)CC1CCN(CC1)C 1626a_100102657272_100000700355 [0,1,0,1,0,0|2,0,0]=4 10473 B12R1.49 CNC(=O)CC1CCN(CC1)C 2230a_100000765844_200000210301 [0,1,0,1,0,0|2,0,0]=4 10474 B12R1.49 CNC(=O)CC1CCN(CC1)C 240690a_100102657272_100000700355 [0,1,0,1,0,0|2,0,0]=4 10475 B12R1.49 CNC(=O)CC1CCN(CC1)C 269982a_100000765844_200000210301 [0,1,0,1,0,0|2,0,0]=4 10476 B12R1.49 CNC(=O)CC1CCN(CC1)C 34a_100000765844_200000210301 [0,1,0,1,0,0|2,0,0]=4 10477 B12R1.49 CNC(=O)CC1CCN(CC1)[13CH3] 2230a_100000765844_200025704644 [0,1,0,1,0,0|2,0,0]=4 10478 B12R1.49 CNC(=O)CC1CCN(CC1)[13CH3] 269982a_100000765844_200025704644 [0,1,0,1,0,0|2,0,0]=4 10479 B12R1.49 CNC(=O)CC1CCN(CC1)[13CH3] 34a_100000765844_200025704644 [0,1,0,1,0,0|2,0,0]=4 10480 B12R1.49 CNC(=O)CN1CCC(CC1)C 11a_106832991635_100000238061 [0,1,0,1,0,0|2,0,0]=4 10481 B12R1.49 CNC(=O)CN1CCC(CC1)C 1626a_100102657272_100000238061 [0,1,0,1,0,0|2,0,0]=4 10482 B12R1.49 CNC(=O)CN1CCC(CC1)C 2230a_100000188429_100000183359 [0,1,0,1,0,0|2,0,0]=4 10483 B12R1.49 CNC(=O)CN1CCC(CC1)C 240690a_100102657272_100000238061 [0,1,0,1,0,0|2,0,0]=4 10484 B12R1.49 CNC(=O)CN1CCC(CC1)C 269982a_100000188429_100000183359 [0,1,0,1,0,0|2,0,0]=4 10485 B12R1.49 CNC(=O)CN1CCC(CC1)C 34a_100000188429_100000183359 [0,1,0,1,0,0|2,0,0]=4 10486 B12R1.49 CNC(=O)CN1CCC(CC1)C 527a_100102657272_100000238061 [0,1,0,1,0,0|2,0,0]=4 10487 B12R1.49 CNC(=O)CN1CCC(CC1)F 2230a_100015193889_100000183359 [0,1,0,1,0,0|2,0,0]=4 10488 B12R1.49 CNC(=O)CN1CCC(CC1)F 269982a_100015193889_100000183359 [0,1,0,1,0,0|2,0,0]=4 10489 B12R1.49 CNC(=O)CN1CCC(CC1)F 34a_100015193889_100000183359 [0,1,0,1,0,0|2,0,0]=4 10490 B12R1.49 CNC(=O)CN1CCC(CC1)O 2230a_100025773856_100000183359 [0,1,0,1,0,0|2,0,0]=4 10491 B12R1.49 CNC(=O)CN1CCC(CC1)O 269982a_100025773856_100000183359 [0,1,0,1,0,0|2,0,0]=4 10492 B12R1.49 CNC(=O)N[C@H]1CC[C@@H](CC1)C 2708a_100020625639_106832991635 [0,1,0,1,0,0|2,0,0]=4 10493 B12R1.49 CNC(=O)N[C@H]1CC[C@@H](CC1)C 2708a_100102657272_100020625639 [0,1,0,1,0,0|2,0,0]=4 10494 B12R1.49 CNC(=O)N[C@H]1CC[C@@H](CC1)C 273464a_100020625639_100102657272 [0,1,0,1,0,0|2,0,0]=4 10495 B12R1.49 CNC(=O)N[C@H]1CC[C@@H](CC1)C 273464a_100102657272_100020625639 [0,1,0,1,0,0|2,0,0]=4 10496 B12R1.49 CNC(=O)N[C@H]1CC[C@H](CC1)O 2708a_100020628982_106832991635 [0,1,0,1,0,0|2,0,0]=4 10497 B12R1.49 CNC(=O)N[C@H]1CC[C@H](CC1)O 2708a_100102657272_100020628982 [0,1,0,1,0,0|2,0,0]=4 10498 B12R1.49 CNC(=O)N[C@H]1CC[C@H](CC1)O 273464a_100020628982_100102657272 [0,1,0,1,0,0|2,0,0]=4 10499 B12R1.49 CNC(=O)N[C@H]1CC[C@H](CC1)O 273464a_100102657272_100020628982 [0,1,0,1,0,0|2,0,0]=4 10500 B12R1.49 CNC(=O)N[C@H]1CC[C@H](CC1)O 512a_106832991638_100020628982 [0,1,0,1,0,0|2,0,0]=4 10501 B12R1.49 C[C@H]1CC[C@@H](CC1)NC(=O)CO 240690a_100020625639_100000210174 [0,1,0,1,0,0|2,0,0]=4 10502 B12R1.49 C[C@H]1CC[C@@H](CC1)NC(=O)CO 527a_100020625639_100000210174 [0,1,0,1,0,0|2,0,0]=4 10503 B12R1.49 O=C(CF)CC1CCC(CC1)O 1458a_100012184027_100015361967 [0,1,0,1,0,0|2,0,0]=4 10504 B12R1.49 O=C(CO)N[C@H]1CC[C@H](CC1)O 240690a_100020628982_100000210174 [0,1,0,1,0,0|2,0,0]=4 10505 B12R1.61 CCN1CCC(C1)CC(=O)CO 1458a_100000210174_100015184589 [0,1,0,1,0,0|2,0,0]=4 10506 B12R1.435 CCN1CCCC(C1)C(=O)NC 11a_106832991635_100000743261 [0,1,0,1,0,0|2,0,0]=4 10507 B12R1.435 CCN1CCCC(C1)C(=O)NC 2230a_100000754358_100000210202 [0,1,0,1,0,0|2,0,0]=4 10508 B12R1.435 CCN1CCCC(C1)C(=O)NC 240690a_100102657272_100000743261 [0,1,0,1,0,0|2,0,0]=4 10509 B12R1.435 CCN1CCCC(C1)C(=O)NC 269982a_100000754358_100000204670 [0,1,0,1,0,0|2,0,0]=4 10510 B12R1.435 CCN1CCCC(C1)C(=O)NC 34a_100000754358_100000210202 [0,1,0,1,0,0|2,0,0]=4 10511 B12R1.435 CCN1CCCC(C1)C(=O)NC 527a_100102657272_100000743261 [0,1,0,1,0,0|2,0,0]=4 10512 B12R1.435 CNC(=O)C1CCCC(C1)OC 11a_106832991635_100011215561 [0,1,0,1,0,0|2,0,0]=4 10513 B12R1.435 CNC(=O)C1CCCC(C1)OC 1626a_100102657272_100011215561 [0,1,0,1,0,0|2,0,0]=4 10514 B12R1.435 CNC(=O)C1CCCC(C1)OC 240690a_100102657272_100011215561 [0,1,0,1,0,0|2,0,0]=4 10515 B12R1.435 CNC(=O)C1CCCC(C1)OC 527a_100102657272_100011215561 [0,1,0,1,0,0|2,0,0]=4 10516 B12R1.1658 CC1CCCN(CC1)C(=O)CO 240690a_100025706717_100000210174 [0,1,0,1,0,0|2,0,0]=4 10517 B12R1.1658 CC1CCCN(CC1)C(=O)CO 527a_100025706717_100000210174 [0,1,0,1,0,0|2,0,0]=4 10518 B12R1.1658 CNC(=O)N1CCCC(CC1)C 2708a_100102657272_100025706717 [0,1,0,1,0,0|2,0,0]=4 10519 B12R1.1658 CNC(=O)N1CCCC(CC1)C 273464a_100102657272_100025706717 [0,1,0,1,0,0|2,0,0]=4 10520 B12R1.1658 CNC(=O)N1CCCC(CC1)O 2708a_100102657272_100015186869 [0,1,0,1,0,0|2,0,0]=4 10521 B12R1.1658 CNC(=O)N1CCCC(CC1)O 273464a_100102657272_100015186869 [0,1,0,1,0,0|2,0,0]=4 10522 B12R1.1658 O=C(CO)N1CCCC(CC1)O 240690a_100015186869_100000210174 [0,1,0,1,0,0|2,0,0]=4 10523 B12R1.1658 O=C(CO)N1CCCC(CC1)O 527a_100015186869_100000210174 [0,1,0,1,0,0|2,0,0]=4 10524 B12R1.1678 CNC(=O)CCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000737683 [0,1,0,1,0,0|2,0,0]=4 10525 B12R1.1678 CNC(=O)CCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000737683 [0,1,0,1,0,0|2,0,0]=4 10526 B12R1.1686 CNC(=O)CCCNC1(CC1)C 2230a_100000757604_100000741757 [0,1,0,1,0,0|2,0,0]=4 10527 B12R1.1686 CNC(=O)CCCOC1(CC1)C 7a_100011725673_100000741757 [0,1,0,1,0,0|2,0,0]=4 10528 B12R1.1686 CNC(=O)CCNCC1(CC1)C 2230a_100000766693_100000737683 [0,1,0,1,0,0|2,0,0]=4 10529 B12R1.1686 CNC(=O)CCNCC1(CC1)O 2230a_100011936951_100000737683 [0,1,0,1,0,0|2,0,0]=4 10530 B12R1.1686 CNC(=O)CCOCC1(CC1)C 7a_100000698024_100000737683 [0,1,0,1,0,0|2,0,0]=4 10531 B12R1.1686 CNC(=O)CCOCC1(CC1)F 34a_200000703853_100012179268 [0,1,0,1,0,0|2,0,0]=4 10532 B12R1.1686 CNC(=O)CCOCC1(CC1)F 7a_200000703853_100000737683 [0,1,0,1,0,0|2,0,0]=4 10533 B12R1.21 CC(C)CNC1CCC(=O)NC1 2230a_100000748762_100000210760 [0,1,0,1,0,0|2,0,0]=4 10534 B12R1.21 CC(C)CNC1CCC(=O)NC1 270004a_100000748762_100000210432 [0,1,0,1,0,0|2,0,0]=4 10535 B12R1.21 CC(C)CNC1CCC(=O)NC1 34a_100000748762_100000210624 [0,1,0,1,0,0|2,0,0]=4 10536 B12R1.21 CC(C)COC1CCC(=O)NC1 34a_100000079199_100000210624 [0,1,0,1,0,0|2,0,0]=4 10537 B12R1.21 CC(O)CNC1CCC(=O)NC1 2230a_100000748762_100011218427 [0,1,0,1,0,0|2,0,0]=4 10538 B12R1.21 CC(O)CNC1CCC(=O)NC1 34a_100000748762_100011218427 [0,1,0,1,0,0|2,0,0]=4 10539 B12R1.21 CC(O)COC1CCC(=O)NC1 34a_100000079199_100011218427 [0,1,0,1,0,0|2,0,0]=4 10540 B12R1.21 C[C@@H](O)CNC1CCC(=O)NC1 2230a_100000748762_100009817552 [0,1,0,1,0,0|2,0,0]=4 10541 B12R1.21 C[C@@H](O)CNC1CCC(=O)NC1 34a_100000748762_100009817552 [0,1,0,1,0,0|2,0,0]=4 10542 B12R1.21 C[C@@H](O)COC1CCC(=O)NC1 34a_100000079199_100009817552 [0,1,0,1,0,0|2,0,0]=4 10543 B12R1.50 CC1CCCC(C1)CC(=O)CF 1458a_100000748788_100015361967 [0,1,0,1,0,0|2,0,0]=4 10544 B12R1.50 CC1CCCC(C1)NC(=O)CO 240690a_100011194320_100000210174 [0,1,0,1,0,0|2,0,0]=4 10545 B12R1.50 CC1CCCC(C1)NC(=O)CO 527a_100011194320_100000210174 [0,1,0,1,0,0|2,0,0]=4 10546 B12R1.50 CCC(=O)CC1CCCC(C1)C 1458a_100000748788_100000210202 [0,1,0,1,0,0|2,0,0]=4 10547 B12R1.50 CN1CCCC(C1)CC(=O)CO 1458a_100000210174_100015183302 [0,1,0,1,0,0|2,0,0]=4 10548 B12R1.50 CNC(=O)CC1CCCC(C1)C 11a_106832991635_100000748788 [0,1,0,1,0,0|1,0,0]=3 10549 B12R1.50 CNC(=O)CC1CCCC(C1)C 1626a_100102657272_100000748788 [0,1,0,1,0,0|1,0,0]=3 10550 B12R1.50 CNC(=O)CC1CCCC(C1)C 240690a_100102657272_100000748788 [0,1,0,1,0,0|1,0,0]=3 10551 B12R1.50 CNC(=O)CC1CCCC(C1)C 527a_100102657272_100000748788 [0,1,0,1,0,0|1,0,0]=3 10552 B12R1.50 CNC(=O)CN1CCCC(C1)F 2230a_100000697950_100000183359 [0,1,0,1,0,0|2,0,0]=4 10553 B12R1.50 CNC(=O)CN1CCCC(C1)F 269982a_100000697950_100000183359 [0,1,0,1,0,0|2,0,0]=4 10554 B12R1.50 CNC(=O)CN1CCCC(C1)F 34a_100000697950_100000183359 [0,1,0,1,0,0|2,0,0]=4 10555 B12R1.50 CNC(=O)CN1CCCC(C1)O 2230a_100000211013_100000183359 [0,1,0,1,0,0|2,0,0]=4 10556 B12R1.50 CNC(=O)CN1CCCC(C1)O 269982a_100000211013_100000183359 [0,1,0,1,0,0|2,0,0]=4 10557 B12R1.50 CNC(=O)CN1CCC[C@@H](C1)C 2230a_100000717927_100000183359 [0,1,0,1,0,0|2,0,0]=4 10558 B12R1.50 CNC(=O)CN1CCC[C@@H](C1)C 269982a_100000717927_100000183359 [0,1,0,1,0,0|2,0,0]=4 10559 B12R1.50 CNC(=O)CN1CCC[C@@H](C1)C 34a_100000717927_100000183359 [0,1,0,1,0,0|2,0,0]=4 10560 B12R1.50 CNC(=O)NC1CCCC(C1)C 2708a_100011194320_106832991635 [0,1,0,1,0,0|2,0,0]=4 10561 B12R1.50 CNC(=O)NC1CCCC(C1)C 2708a_100102657272_100011194320 [0,1,0,1,0,0|2,0,0]=4 10562 B12R1.50 CNC(=O)NC1CCCC(C1)C 273464a_100011194320_100102657272 [0,1,0,1,0,0|2,0,0]=4 10563 B12R1.50 CNC(=O)NC1CCCC(C1)C 273464a_100102657272_100011194320 [0,1,0,1,0,0|2,0,0]=4 10564 B12R1.50 CNC(=O)NC1CCCC(C1)C 512a_100011194320_100102657272 [0,1,0,1,0,0|2,0,0]=4 10565 B12R1.50 CNC(=O)NC1CCCC(C1)C 512a_106832991638_100011194320 [0,1,0,1,0,0|2,0,0]=4 10566 B12R1.50 CNC(=O)NC1CCCC(C1)O 2708a_100102657272_100015190357 [0,1,0,1,0,0|2,0,0]=4 10567 B12R1.50 CNC(=O)NC1CCCC(C1)O 273464a_100015190357_100102657272 [0,1,0,1,0,0|2,0,0]=4 10568 B12R1.50 CNC(=O)NC1CCCC(C1)O 273464a_100102657272_100015190357 [0,1,0,1,0,0|2,0,0]=4 10569 B12R1.50 CNC(=O)NC1CCCC(C1)O 512a_100015190357_100102657272 [0,1,0,1,0,0|2,0,0]=4 10570 B12R1.50 CNC(=O)NC1CCCC(C1)O 512a_106832991638_100015190357 [0,1,0,1,0,0|2,0,0]=4 10571 B12R1.50 O=C(CO)NC1CCCC(C1)O 240690a_100015190357_100000210174 [0,1,0,1,0,0|2,0,0]=4 10572 B12R1.105 CC(C)CCCN1CNC(=O)C1 2230a_200000708111_100011214892 [0,1,0,1,0,0|2,0,0]=4 10573 B12R1.105 CC(C)CCNC1CNC(=O)C1 2230a_100000697751_100000210312 [0,1,0,1,0,0|2,0,0]=4 10574 B12R1.105 CC(C)CCNC1CNC(=O)C1 269862a_100000697751_100000185833 [0,1,0,1,0,0|2,0,0]=4 10575 B12R1.105 CC(C)CCOC1CNC(=O)C1 34a_100000690082_100000210312 [0,1,0,1,0,0|2,0,0]=4 10576 B12R1.105 CC(C)CNCC1CNC(=O)C1 2230a_100016993742_100000210760 [0,1,0,1,0,0|2,0,0]=4 10577 B12R1.105 CC(C)CNCC1CNC(=O)C1 34a_100016993742_100000210624 [0,1,0,1,0,0|2,0,0]=4 10578 B12R1.105 CC(C)COCC1CNC(=O)C1 34a_100016041077_100000210624 [0,1,0,1,0,0|2,0,0]=4 10579 B12R1.105 CC(O)CCCN1CNC(=O)C1 2230a_200000708111_200000718107 [0,1,0,1,0,0|2,0,0]=4 10580 B12R1.105 CC(O)CCNC1CNC(=O)C1 2230a_100000697751_100012276601 [0,1,0,1,0,0|2,0,0]=4 10581 B12R1.105 CC(O)CCOC1CNC(=O)C1 34a_100000690082_100012276601 [0,1,0,1,0,0|2,0,0]=4 10582 B12R1.105 CC(O)CNCC1CNC(=O)C1 2230a_100016993742_100011218427 [0,1,0,1,0,0|2,0,0]=4 10583 B12R1.105 CC(O)CNCC1CNC(=O)C1 34a_100016993742_100011218427 [0,1,0,1,0,0|2,0,0]=4 10584 B12R1.105 CC(O)COCC1CNC(=O)C1 34a_100016041077_100011218427 [0,1,0,1,0,0|2,0,0]=4 10585 B12R1.105 C[C@@H](O)CNCC1CNC(=O)C1 2230a_100016993742_100009817552 [0,1,0,1,0,0|2,0,0]=4 10586 B12R1.105 C[C@@H](O)CNCC1CNC(=O)C1 34a_100016993742_100009817552 [0,1,0,1,0,0|2,0,0]=4 10587 B12R1.105 C[C@@H](O)COCC1CNC(=O)C1 34a_100016041077_100009817552 [0,1,0,1,0,0|2,0,0]=4 10588 B12R1.368 CC(C)C1CCCN1C(=O)CO 240690a_100000762757_100000210174 [0,1,0,1,0,0|2,0,0]=4 10589 B12R1.368 CC(C)C1CCCN1C(=O)CO 527a_100000762757_100000210174 [0,1,0,1,0,0|2,0,0]=4 10590 B12R1.368 CNC(=O)N1CCCC1C(C)C 2708a_100102657272_100000762757 [0,1,0,1,0,0|2,0,0]=4 10591 B12R1.368 CNC(=O)N1CCCC1C(C)C 273464a_100102657272_100000762757 [0,1,0,1,0,0|2,0,0]=4 10592 B12R1.368 CNC(=O)[C@@H]1CCCN1C(C)C 2230a_100015185040_100000210206 [0,1,0,1,0,0|2,0,0]=4 10593 B12R1.368 CNC(=O)[C@@H]1CCCN1C(C)C 269982a_100015185040_100000210206 [0,1,0,1,0,0|2,0,0]=4 10594 B12R1.368 CNC(=O)[C@@H]1CCCN1C(C)C 34a_100015185040_100000210206 [0,1,0,1,0,0|2,0,0]=4 10595 B12R1.368 CNC(=O)[C@H]1CCCN1C(C)C 240690a_100102657272_100009927065 [0,1,0,1,0,0|2,0,0]=4 10596 B12R1.368 CNC(=O)[C@H]1CCCN1C(C)C 527a_100102657272_100009927065 [0,1,0,1,0,0|2,0,0]=4 10597 B12R1.394 CNC(=O)CCCN1CC(C1)C 2230a_100000702820_100000741757 [0,1,0,1,0,0|2,0,0]=4 10598 B12R1.394 CNC(=O)CCCN1CC(C1)C 269982a_100000702820_100000741757 [0,1,0,1,0,0|2,0,0]=4 10599 B12R1.394 CNC(=O)CCCN1CC(C1)C 34a_100000702820_100000741757 [0,1,0,1,0,0|2,0,0]=4 10600 B12R1.394 CNC(=O)CCCN1CC(C1)F 2230a_100000690557_100000741757 [0,1,0,1,0,0|2,0,0]=4 10601 B12R1.394 CNC(=O)CCCN1CC(C1)F 269982a_100000690557_100000741757 [0,1,0,1,0,0|2,0,0]=4 10602 B12R1.394 CNC(=O)CCCN1CC(C1)F 34a_100000690557_100000741757 [0,1,0,1,0,0|2,0,0]=4 10603 B12R1.394 CNC(=O)CCCN1CC(C1)O 269982a_100000749847_100000741757 [0,1,0,1,0,0|2,0,0]=4 10604 B12R1.394 CNC(=O)CCNC1CC(C1)F 2230a_100016993743_100000737683 [0,1,0,1,0,0|2,0,0]=4 10605 B12R1.394 CNC(=O)CCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000737683 [0,1,0,1,0,0|2,0,0]=4 10606 B12R1.394 CNC(=O)CNCC1CC(C1)O 2230a_100016992100_100000183359 [0,1,0,1,0,0|2,0,0]=4 10607 B12R1.394 CNC(=O)COCC1CC(C1)Cl 34a_100009874164_100000183359 [0,1,0,1,0,0|2,0,0]=4 10608 B12R1.534 CNC(=O)CN1CCCC1(C)C 2230a_100000761399_100000183359 [0,1,0,1,0,0|2,0,0]=4 10609 B12R1.534 CNC(=O)CN1CCCC1(C)C 269982a_100000761399_100000183359 [0,1,0,1,0,0|2,0,0]=4 10610 B12R1.534 CNC(=O)CN1CCCC1(C)C 34a_100000761399_100000183359 [0,1,0,1,0,0|2,0,0]=4 10611 B12R1.534 CNC(=O)N[C@@H]1CCC[C@@]1(C)O 2708a_100102657272_100015977457 [0,1,0,1,0,0|2,0,0]=4 10612 B12R1.534 CNC(=O)N[C@@H]1CCC[C@@]1(C)O 273464a_100102657272_100015977457 [0,1,0,1,0,0|2,0,0]=4 10613 B12R1.534 CNC(=O)N[C@@H]1CCC[C@@]1(C)O 512a_100015977457_100102657272 [0,1,0,1,0,0|2,0,0]=4 10614 B12R1.534 CNC(=O)N[C@@H]1CCC[C@@]1(C)O 512a_106832991638_100015977457 [0,1,0,1,0,0|2,0,0]=4 10615 B12R1.534 C[C@]1(CCC[C@H]1NC(=O)CO)O 240690a_100015977457_100000210174 [0,1,0,1,0,0|2,0,0]=4 10616 B12R1.534 C[C@]1(CCC[C@H]1NC(=O)CO)O 527a_100015977457_100000210174 [0,1,0,1,0,0|2,0,0]=4 10617 B12R1.1848 CNC(=O)COCC1CC1(C)C 34a_100000728257_100000183359 [0,1,0,1,0,0|2,0,0]=4 10618 B12R1.1848 CNC(=O)COCC1CC1(C)C 7a_100000728257_100000183359 [0,1,0,1,0,0|2,0,0]=4 10619 B12R1.34 CC(C(=O)CF)C1CCCCC1 1458a_100011435303_100015361967 [0,1,0,1,0,0|2,0,0]=4 10620 B12R1.34 CCC(=O)C(C)C1CCCCC1 1458a_100011435303_100000210202 [0,1,0,1,0,0|2,0,0]=4 10621 B12R1.34 CCC(=O)C(O)C1CCCCC1 1458a_100000242593_100000210202 [0,1,0,1,0,0|2,0,0]=4 10622 B12R1.34 CN(C(=O)CO)C1CCCCC1 240690a_100000207522_100000210174 [0,1,0,1,0,0|2,0,0]=4 10623 B12R1.34 CN(C(=O)CO)C1CCCCC1 527a_100000207522_100000210174 [0,1,0,1,0,0|2,0,0]=4 10624 B12R1.34 CNC(=O)C(=O)C1CCCCC1 1458a_100011218921_100000210327 [0,1,0,1,0,0|1,0,1]=4 10625 B12R1.34 CNC(=O)C(C)C1CCCCC1 11a_106832991635_100011435303 [0,1,0,1,0,0|1,0,0]=3 10626 B12R1.34 CNC(=O)C(C)C1CCCCC1 1626a_100102657272_100011435303 [0,1,0,1,0,0|1,0,0]=3 10627 B12R1.34 CNC(=O)C(C)C1CCCCC1 240690a_100102657272_100011435303 [0,1,0,1,0,0|1,0,0]=3 10628 B12R1.34 CNC(=O)C(C)C1CCCCC1 527a_100102657272_100011435303 [0,1,0,1,0,0|1,0,0]=3 10629 B12R1.34 CNC(=O)C(O)C1CCCCC1 240690a_100102657272_100000242593 [0,1,0,1,0,0|1,0,0]=3 10630 B12R1.34 CNC(=O)N(C)C1CCCCC1 2708a_100102657272_100000207522 [0,1,0,1,0,0|2,0,0]=4 10631 B12R1.34 CNC(=O)N(C)C1CCCCC1 273464a_100102657272_100000207522 [0,1,0,1,0,0|2,0,0]=4 10632 B12R1.34 O=C(CF)C(O)C1CCCCC1 1458a_100000242593_100015361967 [0,1,0,1,0,0|2,0,0]=4 10633 B12R1.108 CC(OC1CCCC1)C(=O)NN 34a_100000725659_100000179811 [0,1,0,1,0,0|2,0,0]=4 10634 B12R1.108 CNC(=O)C(=O)CC1CCCC1 1458a_100011218921_100000740388 [0,1,0,1,0,0|1,0,1]=4 10635 B12R1.108 CNC(=O)C(C)NC1CCCC1 2230a_100000211070_100000731044 [0,1,0,1,0,0|2,0,0]=4 10636 B12R1.108 CNC(=O)C(C)NC1CCCC1 34a_100000211070_100000731044 [0,1,0,1,0,0|2,0,0]=4 10637 B12R1.108 CNC(=O)C(C)OC1CCCC1 34a_100000210269_100000731044 [0,1,0,1,0,0|2,0,0]=4 10638 B12R1.108 CNC(=O)C(C)OC1CCCC1 7a_100000210269_100000209862 [0,1,0,1,0,0|2,0,0]=4 10639 B12R1.108 CNC(=O)C(C)SC1CCCC1 62a_100000209862_100000179811 [0,1,0,1,0,0|2,0,0]=4 10640 B12R1.108 CNC(=O)C(C)SC1CCCC1 62a_100011217020_100000731044 [0,1,0,1,0,0|2,0,0]=4 10641 B12R1.108 CNC(=O)C(F)NC1CCCC1 2230a_100000211070_100009813575 [0,1,0,1,0,0|2,0,0]=4 10642 B12R1.108 CNC(=O)C(F)NC1CCCC1 34a_100000211070_100009813575 [0,1,0,1,0,0|2,0,0]=4 10643 B12R1.108 CNC(=O)C(F)OC1CCCC1 34a_100000210269_100009813575 [0,1,0,1,0,0|2,0,0]=4 10644 B12R1.108 CNC(=O)C(F)OC1CCCC1 7a_100000210269_100009813575 [0,1,0,1,0,0|2,0,0]=4 10645 B12R1.108 CNC(=O)C(F)SC1CCCC1 62a_100009813575_100000179811 [0,1,0,1,0,0|2,0,0]=4 10646 B12R1.108 CNC(=O)C(F)SC1CCCC1 62a_100011217020_100009813575 [0,1,0,1,0,0|2,0,0]=4 10647 B12R1.108 CNC(=O)[C@@H](C)NC1CCCC1 2230a_100000684985_100000179811 [0,1,0,1,0,0|2,0,0]=4 10648 B12R1.108 CNC(=O)[C@@H](C)NC1CCCC1 34a_100000684985_100000179811 [0,1,0,1,0,0|2,0,0]=4 10649 B12R1.179 CCCN1CCC(C1)C(=O)NC 2230a_100020588580_100000210303 [0,1,0,1,0,0|2,0,0]=4 10650 B12R1.179 CCCN1CCC(C1)C(=O)NC 269982a_100020588580_100000210303 [0,1,0,1,0,0|2,0,0]=4 10651 B12R1.179 CCCN1CCC(C1)C(=O)NC 34a_100020588580_100000210303 [0,1,0,1,0,0|2,0,0]=4 10652 B12R1.468 CNC(=O)C(C)N1CCC[C@@H]1C 2230a_100020605311_100000731044 [0,1,0,1,0,0|2,0,0]=4 10653 B12R1.468 CNC(=O)C(C)N1CCC[C@@H]1C 269982a_100020605311_100000209862 [0,1,0,1,0,0|2,0,0]=4 10654 B12R1.468 CNC(=O)C(C)N1CCC[C@H]1C 2230a_100015189458_100000731044 [0,1,0,1,0,0|2,0,0]=4 10655 B12R1.468 CNC(=O)C(C)N1CCC[C@H]1C 269982a_100015189458_100000209862 [0,1,0,1,0,0|2,0,0]=4 10656 B12R1.468 CNC(=O)C(C)N1CCC[C@H]1C 34a_100015189458_100000731044 [0,1,0,1,0,0|2,0,0]=4 10657 B12R1.468 CNC(=O)C(F)N1CCC[C@@H]1C 2230a_100020605311_100009813575 [0,1,0,1,0,0|2,0,0]=4 10658 B12R1.468 CNC(=O)C(F)N1CCC[C@@H]1C 269982a_100020605311_100009813575 [0,1,0,1,0,0|2,0,0]=4 10659 B12R1.468 CNC(=O)C(F)N1CCC[C@H]1C 2230a_100015189458_100009813575 [0,1,0,1,0,0|2,0,0]=4 10660 B12R1.468 CNC(=O)C(F)N1CCC[C@H]1C 269982a_100015189458_100009813575 [0,1,0,1,0,0|2,0,0]=4 10661 B12R1.468 CNC(=O)C(F)N1CCC[C@H]1C 34a_100015189458_100009813575 [0,1,0,1,0,0|2,0,0]=4 10662 B12R1.470 CC(OCC1CCC1)C(=O)NN 34a_100000725659_100000763275 [0,1,0,1,0,0|2,0,0]=4 10663 B12R1.470 CNC(=O)C(C)CNC1CCC1 270004a_100015187722_100000241760 [0,1,0,1,0,0|2,0,0]=4 10664 B12R1.470 CNC(=O)C(C)CNC1CCC1 34a_100015187722_100000749161 [0,1,0,1,0,0|2,0,0]=4 10665 B12R1.470 CNC(=O)C(C)NCC1CCC1 2230a_100000738700_100000731044 [0,1,0,1,0,0|2,0,0]=4 10666 B12R1.470 CNC(=O)C(C)NCC1CCC1 34a_100000738700_100000731044 [0,1,0,1,0,0|2,0,0]=4 10667 B12R1.470 CNC(=O)C(C)OCC1CCC1 34a_100000760304_100000731044 [0,1,0,1,0,0|2,0,0]=4 10668 B12R1.470 CNC(=O)C(C)SCC1CCC1 62a_100000209862_100000763275 [0,1,0,1,0,0|2,0,0]=4 10669 B12R1.470 CNC(=O)C(C)SCC1CCC1 62a_100000763275_100000731044 [0,1,0,1,0,0|2,0,0]=4 10670 B12R1.470 CNC(=O)C(F)NCC1CCC1 2230a_100000738700_100009813575 [0,1,0,1,0,0|2,0,0]=4 10671 B12R1.470 CNC(=O)C(F)NCC1CCC1 34a_100000738700_100009813575 [0,1,0,1,0,0|2,0,0]=4 10672 B12R1.470 CNC(=O)C(F)OCC1CCC1 34a_100000760304_100009813575 [0,1,0,1,0,0|2,0,0]=4 10673 B12R1.470 CNC(=O)C(F)SCC1CCC1 62a_100000763275_100009813575 [0,1,0,1,0,0|2,0,0]=4 10674 B12R1.470 CNC(=O)C(F)SCC1CCC1 62a_100009813575_100000763275 [0,1,0,1,0,0|2,0,0]=4 10675 B12R1.470 CNC(=O)[C@@H](C)NCC1CCC1 2230a_100000684985_100000763275 [0,1,0,1,0,0|2,0,0]=4 10676 B12R1.470 CNC(=O)[C@@H](C)NCC1CCC1 34a_100000684985_100000763275 [0,1,0,1,0,0|2,0,0]=4 10677 B12R1.470 NNC(=O)C(N)COC1CCC1 34a_100016989258_100000749161 [0,1,0,1,0,0|2,0,0]=4 10678 B12R1.471 CC(OCCC1CC1)C(=O)NN 34a_100000725659_100000694398 [0,1,0,1,0,0|2,0,0]=4 10679 B12R1.471 CNC(=O)C(C)CNCC1CC1 2230a_100015187722_100000742324 [0,1,0,1,0,0|2,0,0]=4 10680 B12R1.471 CNC(=O)C(C)CNCC1CC1 269862a_100015187722_100000741477 [0,1,0,1,0,0|2,0,0]=4 10681 B12R1.471 CNC(=O)C(C)CNCC1CC1 34a_100015187722_100000742324 [0,1,0,1,0,0|2,0,0]=4 10682 B12R1.471 CNC(=O)C(C)NCCC1CC1 34a_100000764129_100000731044 [0,1,0,1,0,0|2,0,0]=4 10683 B12R1.471 CNC(=O)C(C)OCCC1CC1 34a_100000754188_100000731044 [0,1,0,1,0,0|2,0,0]=4 10684 B12R1.471 CNC(=O)C(C)OCCC1CC1 7a_100000754188_100000209862 [0,1,0,1,0,0|2,0,0]=4 10685 B12R1.471 CNC(=O)C(C)SCCC1CC1 62a_100000209862_100000764125 [0,1,0,1,0,0|2,0,0]=4 10686 B12R1.471 CNC(=O)C(C)SCCC1CC1 62a_100000764125_100000731044 [0,1,0,1,0,0|2,0,0]=4 10687 B12R1.471 CNC(=O)C(F)NCCC1CC1 34a_100000764129_100009813575 [0,1,0,1,0,0|2,0,0]=4 10688 B12R1.471 CNC(=O)C(F)OCCC1CC1 34a_100000754188_100009813575 [0,1,0,1,0,0|2,0,0]=4 10689 B12R1.471 CNC(=O)C(F)OCCC1CC1 7a_100000754188_100009813575 [0,1,0,1,0,0|2,0,0]=4 10690 B12R1.471 CNC(=O)C(F)SCCC1CC1 62a_100000764125_100009813575 [0,1,0,1,0,0|2,0,0]=4 10691 B12R1.471 CNC(=O)C(F)SCCC1CC1 62a_100009813575_100000764125 [0,1,0,1,0,0|2,0,0]=4 10692 B12R1.471 CNC(=O)[C@@H](C)NCCC1CC1 2230a_100000684985_100000694398 [0,1,0,1,0,0|2,0,0]=4 10693 B12R1.471 CNC(=O)[C@@H](C)NCCC1CC1 34a_100000684985_100000694398 [0,1,0,1,0,0|2,0,0]=4 10694 B12R1.471 NNC(=O)C(N)COCC1CC1 34a_100016989258_100000742324 [0,1,0,1,0,0|2,0,0]=4 10695 B12R1.839 CNC(=O)C(C)OCC1CC1C 34a_100000744939_100000731044 [0,1,0,1,0,0|2,0,0]=4 10696 B12R1.839 CNC(=O)C(C)OCC1CC1C 7a_100000744939_100000209862 [0,1,0,1,0,0|2,0,0]=4 10697 B12R1.839 CNC(=O)C(F)OCC1CC1C 34a_100000744939_100009813575 [0,1,0,1,0,0|2,0,0]=4 10698 B12R1.839 CNC(=O)C(F)OCC1CC1C 7a_100000744939_100009813575 [0,1,0,1,0,0|2,0,0]=4 10699 B12R1.15 CC(CC(=O)CO)N1CCCC1 1458a_100000210174_200015187269 [0,1,0,1,0,0|2,0,0]=4 10700 B12R1.15 CC(NC(=O)CO)C1CCCC1 240690a_100015185923_100000210174 [0,1,0,1,0,0|2,0,0]=4 10701 B12R1.15 CC(NC(=O)CO)C1CCCC1 527a_100015185923_100000210174 [0,1,0,1,0,0|2,0,0]=4 10702 B12R1.15 CNC(=O)CC(=O)C1CCCC1 1458a_100000210718_100000183359 [0,1,0,1,0,0|1,0,1]=4 10703 B12R1.15 CNC(=O)CN(C)C1CCCC1 2230a_100000189611_100000179811 [0,1,0,1,0,0|2,0,0]=4 10704 B12R1.15 CNC(=O)CN(C)C1CCCC1 2230a_100000207505_100000183359 [0,1,0,1,0,0|2,0,0]=4 10705 B12R1.15 CNC(=O)CN(C)C1CCCC1 240690a_100102657272_100073796569 [0,1,0,1,0,0|2,0,0]=4 10706 B12R1.15 CNC(=O)CN(C)C1CCCC1 269982a_100000207505_100000183359 [0,1,0,1,0,0|2,0,0]=4 10707 B12R1.15 CNC(=O)CN(C)C1CCCC1 270004a_100000189611_100000210133 [0,1,0,1,0,0|2,0,0]=4 10708 B12R1.15 CNC(=O)CN(C)C1CCCC1 34a_100000207505_100000183359 [0,1,0,1,0,0|2,0,0]=4 10709 B12R1.15 CNC(=O)CN(C)C1CCCC1 527a_100102657272_100073796569 [0,1,0,1,0,0|2,0,0]=4 10710 B12R1.15 CNC(=O)NC(C)C1CCCC1 2708a_100015185923_106832991635 [0,1,0,1,0,0|2,0,0]=4 10711 B12R1.15 CNC(=O)NC(C)C1CCCC1 2708a_100102657272_100015185923 [0,1,0,1,0,0|2,0,0]=4 10712 B12R1.15 CNC(=O)NC(C)C1CCCC1 273464a_100015185923_100102657272 [0,1,0,1,0,0|2,0,0]=4 10713 B12R1.15 CNC(=O)NC(C)C1CCCC1 273464a_100102657272_100015185923 [0,1,0,1,0,0|2,0,0]=4 10714 B12R1.15 CNC(=O)NC(C)C1CCCC1 512a_100015185923_100102657272 [0,1,0,1,0,0|2,0,0]=4 10715 B12R1.15 CNC(=O)NC(C)C1CCCC1 512a_106832991638_100015185923 [0,1,0,1,0,0|2,0,0]=4 10716 B12R1.304 CNC(=O)CC(=O)CC1CCC1 1458a_100000763092_100000183359 [0,1,0,1,0,0|1,0,1]=4 10717 B12R1.304 CNC(=O)CN(C)CC1CCC1 2230a_100000189611_100000763275 [0,1,0,1,0,0|2,0,0]=4 10718 B12R1.304 CNC(=O)CN(C)CC1CCC1 2230a_200000750244_100000183359 [0,1,0,1,0,0|2,0,0]=4 10719 B12R1.304 CNC(=O)CN(C)CC1CCC1 269982a_200000750244_100000183359 [0,1,0,1,0,0|2,0,0]=4 10720 B12R1.304 CNC(=O)CN(C)CC1CCC1 34a_200000750244_100000183359 [0,1,0,1,0,0|2,0,0]=4 10721 B12R1.305 CNC(=O)CC(=O)CCC1CC1 1458a_100000756386_100000183359 [0,1,0,1,0,0|1,0,1]=4 10722 B12R1.305 CNC(=O)CN(C)CCC1CC1 2230a_100000189611_100000694398 [0,1,0,1,0,0|2,0,0]=4 10723 B12R1.1940 CCC1CC1C(=O)CC(=O)NC 1458a_200011661523_100000183359 [0,1,0,1,0,0|1,0,1]=4 10724 B12R1.3441 CC1CCCC(N1C(=O)CO)C 240690a_100000210447_100000210174 [0,1,0,1,0,0|2,0,0]=4 10725 B12R1.3441 CNC(=O)N1C(CCCC1C)C 2708a_100102657272_100000210447 [0,1,0,1,0,0|2,0,0]=4 10726 B12R1.3441 CNC(=O)N1C(CCCC1C)C 273464a_100102657272_100000210447 [0,1,0,1,0,0|2,0,0]=4 10727 B12R1.3524 CC1(CCCCC1)NC(=O)CO 240690a_100000741114_100000210174 [0,1,0,1,0,0|2,0,0]=4 10728 B12R1.3524 CC1(CCCCC1)NC(=O)CO 527a_100000741114_100000210174 [0,1,0,1,0,0|2,0,0]=4 10729 B12R1.3524 CCC(=O)CC1(CCCCC1)O 1458a_100000755886_100000210202 [0,1,0,1,0,0|2,0,0]=4 10730 B12R1.3524 CNC(=O)CC1(CCCCC1)O 240690a_100102657272_100000755886 [0,1,0,1,0,0|1,0,0]=3 10731 B12R1.3524 CNC(=O)CC1(CCCCC1)O 527a_100102657272_100000755886 [0,1,0,1,0,0|1,0,0]=3 10732 B12R1.3524 CNC(=O)NC1(CCCCC1)C 2708a_100102657272_100000741114 [0,1,0,1,0,0|2,0,0]=4 10733 B12R1.3524 CNC(=O)NC1(CCCCC1)C 273464a_100000741114_100102657272 [0,1,0,1,0,0|2,0,0]=4 10734 B12R1.3524 CNC(=O)NC1(CCCCC1)C 273464a_100102657272_100000741114 [0,1,0,1,0,0|2,0,0]=4 10735 B12R1.3524 CNC(=O)NC1(CCCCC1)C 512a_100000741114_100102657272 [0,1,0,1,0,0|2,0,0]=4 10736 B12R1.3524 O=C(CF)CC1(CCCCC1)O 1458a_100000755886_100015361967 [0,1,0,1,0,0|2,0,0]=4 10737 B12R1.16 CCCC(=O)C1CCC(=O)NC1 1458a_100000740907_100000210303 [0,1,0,1,0,0|1,0,1]=4 10738 B12R1.31 CCCC(C)CN1CNC(=O)C1 2230a_200000708111_100011216630 [0,1,0,1,0,0|2,0,0]=4 10739 B12R1.31 CCCC(C)NC1CNC(=O)C1 2230a_100000697751_100000766640 [0,1,0,1,0,0|2,0,0]=4 10740 B12R1.31 CCCC(C)OC1CNC(=O)C1 34a_100000690082_100000766640 [0,1,0,1,0,0|2,0,0]=4 10741 B12R1.1579 CCCC(=O)[C@H]1CCC(=O)N1C 1458a_100010979499_100000210303 [0,1,0,1,0,0|1,0,1]=4 10742 B12R1.1689 CNC(=O)CCCC(=O)C1CC1 1458a_100000210395_100000741757 [0,1,0,1,0,0|1,0,1]=4 10743 B12R1.1689 CNC(=O)CCCN(C)C1CC1 2230a_100000226674_100000741757 [0,1,0,1,0,0|2,0,0]=4 10744 B12R1.1689 CNC(=O)CCCN(C)C1CC1 269982a_100000226674_100000741757 [0,1,0,1,0,0|2,0,0]=4 10745 B12R1.1689 CNC(=O)CCNC(C)C1CC1 2230a_100000700016_100000737683 [0,1,0,1,0,0|2,0,0]=4 10746 B12R1.1689 CNC(=O)CCNC(C)C1CC1 269862a_100000738227_100000210639 [0,1,0,1,0,0|2,0,0]=4 10747 B12R1.1689 CNC(=O)CCNC(C)C1CC1 34a_100000700016_100012179268 [0,1,0,1,0,0|2,0,0]=4 10748 B12R1.1689 CNC(=O)CCOC(C)C1CC1 34a_100000744524_100012179268 [0,1,0,1,0,0|2,0,0]=4 10749 B12R1.1689 CNC(=O)CCOC(C)C1CC1 7a_100000744524_100000737683 [0,1,0,1,0,0|2,0,0]=4 10750 B12R1.1689 CNC(=O)CNCC(O)C1CC1 2230a_100000751198_100000183359 [0,1,0,1,0,0|2,0,0]=4 10751 B12R1.1689 CNC(=O)CNCC(O)C1CC1 34a_100000751198_100000183359 [0,1,0,1,0,0|2,0,0]=4 10752 B12R1.1689 CNC(=O)COC[C@H](N)C1CC1 34a_100020623730_100000183359 [0,1,0,1,0,0|2,0,0]=4 10753 B12R1.1849 CNC(=O)CCNC1(CCC1)C 2230a_100000692455_100000737683 [0,1,0,1,0,0|2,0,0]=4 10754 B12R1.1849 CNC(=O)CCNC1(CCC1)C 34a_100000692455_100012179268 [0,1,0,1,0,0|2,0,0]=4 10755 B12R1.1849 CNC(=O)CCOC1(CCC1)C 34a_100000759064_100012179268 [0,1,0,1,0,0|2,0,0]=4 10756 B12R1.1849 CNC(=O)CCOC1(CCC1)C 7a_100000759064_100000737683 [0,1,0,1,0,0|2,0,0]=4 10757 B12R1.1849 CNC(=O)CNCC1(CCC1)C 2230a_100000693194_100000726658 [0,1,0,1,0,0|2,0,0]=4 10758 B12R1.1849 CNC(=O)CNCC1(CCC1)C 2230a_100000706607_100000183359 [0,1,0,1,0,0|2,0,0]=4 10759 B12R1.1849 CNC(=O)CNCC1(CCC1)O 2230a_100000752638_100000183359 [0,1,0,1,0,0|2,0,0]=4 10760 B12R1.1849 CNC(=O)COCC1(CCC1)C 34a_100000750040_100000726658 [0,1,0,1,0,0|2,0,0]=4 10761 B12R1.1849 CNC(=O)CSCC1(CCC1)C 62a_100000183359_100000726658 [0,1,0,1,0,0|2,0,0]=4 10762 B12R1.1849 CNC(=O)CSCC1(CCC1)C 62a_100000726658_100000183359 [0,1,0,1,0,0|2,0,0]=4 10763 B12R2.294 O=C1CCC(CN1)NC2CC2 34a_100000748762_100000211595 [0,0,0,2,0,0|2,0,0]=4 10764 B12R2.294 O=C1CCC(CN1)OC2CC2 34a_100000079199_100000211595 [0,0,0,2,0,0|2,0,0]=4 10765 B12R2.6 O=C1CN(CN1)C2CCCC2 2230a_200000708111_100000179811 [0,0,0,2,0,0|2,0,0]=4 10766 B12R2.1596 C#CC(=O)C1CC2CCC1C2 1458a_100000211873_100000727232 [0,0,0,2,0,0|2,0,0]=4 10767 B12R2.1596 C=CC(=O)C1CC2CCC1C2 1458a_100000185746_100000727232 [0,0,0,2,0,0|2,0,0]=4 10768 B12R2.1596 CCC(=O)C1CC2CCC1C2 1458a_100000181847_100000210202 [0,0,0,2,0,0|2,0,0]=4 10769 B12R2.1596 CCC(=O)C1CC2CCC1C2 1458a_100000210414_100000727232 [0,0,0,2,0,0|2,0,0]=4 10770 B12R2.1596 CNC(=O)C1CC2CCC1C2 11a_106832991635_100000181847 [0,0,0,2,0,0|1,0,0]=3 10771 B12R2.1596 CNC(=O)C1CC2CCC1C2 1626a_100102657272_100000181847 [0,0,0,2,0,0|1,0,0]=3 10772 B12R2.1596 CNC(=O)C1CC2CCC1C2 240690a_100102657272_100000181847 [0,0,0,2,0,0|1,0,0]=3 10773 B12R2.1596 CNC(=O)C1CC2CCC1C2 527a_100102657272_100000181847 [0,0,0,2,0,0|1,0,0]=3 10774 B12R2.1596 CNC(=O)N1CC2CCC1C2 2708a_100102657272_100000743476 [0,0,0,2,0,0|2,0,0]=4 10775 B12R2.1596 CNC(=O)N1CC2CCC1C2 273464a_100102657272_100000743476 [0,0,0,2,0,0|2,0,0]=4 10776 B12R2.1596 O=C(CF)C1CC2CCC1C2 1458a_100000181847_100015361967 [0,0,0,2,0,0|2,0,0]=4 10777 B12R2.1596 O=C(CO)C1CC2CCC1C2 1458a_100000210174_100000727232 [0,0,0,2,0,0|1,0,0]=3 10778 B12R2.1596 O=C(CO)N1CC2CCC1C2 240690a_100000743476_100000210174 [0,0,0,2,0,0|2,0,0]=4 10779 B12R2.1596 O=C(CO)N1CC2CCC1C2 527a_100000743476_100000210174 [0,0,0,2,0,0|2,0,0]=4 10780 B12R2.2298 O=C1CC(CN1)CNC2CC2 34a_100016993742_100000211595 [0,0,0,2,0,0|2,0,0]=4 10781 B12R2.2298 O=C1CC(CN1)COC2CC2 34a_100016041077_100000211595 [0,0,0,2,0,0|2,0,0]=4 10782 B12R2.2298 O=C1CC(CN1)NCC2CC2 2230a_100000697751_100000742324 [0,0,0,2,0,0|2,0,0]=4 10783 B12R2.2298 O=C1CC(CN1)NCC2CC2 269862a_100000697751_100000741477 [0,0,0,2,0,0|2,0,0]=4 10784 B12R2.2298 O=C1CC(CN1)OCC2CC2 34a_100000690082_100000742324 [0,0,0,2,0,0|2,0,0]=4 10785 B12R2.2298 O=C1CN(CN1)CCC2CC2 2230a_200000708111_100000694398 [0,0,0,2,0,0|2,0,0]=4 10786 B12R2.2301 O=C1CC(CN1)OC2CCC2 34a_100000690082_100000749161 [0,0,0,2,0,0|2,0,0]=4 10787 B12R2.2301 O=C1CN(CN1)CC2CCC2 2230a_200000708111_100000763275 [0,0,0,2,0,0|2,0,0]=4 10788 B12R2.1561 CNC(=O)N1C2CCC1CC2 2708a_100102657272_100000735658 [0,0,0,2,0,0|2,0,0]=4 10789 B12R2.1561 CNC(=O)N1C2CCC1CC2 273464a_100102657272_100000735658 [0,0,0,2,0,0|2,0,0]=4 10790 B12R2.1561 O=C(CO)N1C2CCC1CC2 240690a_100000735658_100000210174 [0,0,0,2,0,0|2,0,0]=4 10791 B12R2.1561 O=C(CO)N1C2CCC1CC2 527a_100000735658_100000210174 [0,0,0,2,0,0|2,0,0]=4 10792 B12R2.1619 CNC(=O)CN1CC2CC2C1 2230a_100000741873_100000183359 [0,0,0,2,0,0|2,0,0]=4 10793 B12R2.1619 CNC(=O)CN1CC2CC2C1 269982a_100000741873_100000183359 [0,0,0,2,0,0|2,0,0]=4 10794 B12R2.1619 CNC(=O)CN1CC2CC2C1 34a_100000741873_100000183359 [0,0,0,2,0,0|2,0,0]=4 10795 B12R2.3511 CCC(=O)[C@H]1[C@H]2[C@@H]1CCCC2 1458a_100153394716_100000210202 [0,0,0,2,0,0|2,0,0]=4 10796 B12R2.3511 CNC(=O)[C@H]1[C@H]2[C@@H]1CCCC2 11a_106832991635_100153394716 [0,0,0,2,0,0|1,0,0]=3 10797 B12R2.3511 CNC(=O)[C@H]1[C@H]2[C@@H]1CCCC2 1626a_100102657272_100153394716 [0,0,0,2,0,0|1,0,0]=3 10798 B12R2.3511 CNC(=O)[C@H]1[C@H]2[C@@H]1CCCC2 240690a_100102657272_100153394716 [0,0,0,2,0,0|1,0,0]=3 10799 B12R2.3511 CNC(=O)[C@H]1[C@H]2[C@@H]1CCCC2 527a_100102657272_100153394716 [0,0,0,2,0,0|1,0,0]=3 10800 B12R2.3511 O=C(CF)[C@H]1[C@H]2[C@@H]1CCCC2 1458a_100153394716_100015361967 [0,0,0,2,0,0|2,0,0]=4 10801 B12R2.296 CNC(=O)N1CCCC12CC2 2708a_100102657272_100020620911 [0,0,0,2,0,0|2,0,0]=4 10802 B12R2.296 O=C(CO)N1CCCC12CC2 240690a_100020620911_100000210174 [0,0,0,2,0,0|2,0,0]=4 10803 B12R2.296 O=C(CO)N1CCCC12CC2 527a_100020620911_100000210174 [0,0,0,2,0,0|2,0,0]=4